TITLE EMP-18 ERYTHROPOIETIN RECEPTOR AGONIST PEPTIDE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN: EMP-18 RECEPTOR AGONIST; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. IT SOURCE 4 IS A NOVEL SEQUENCE DERIVED FROM PHAGE-DISPLAY SELECTION. KEYWDS BETA HAIRPIN PEPTIDE EXPDTA NMR, 20 STRUCTURES AUTHOR N.J.SKELTON,S.RUSSELL,F.DE SAUVAGE,A.G.COCHRAN REVDAT 1 06-MAR-02 1KVF 0 JRNL AUTH N.J.SKELTON,S.RUSSELL,F.DE SAUVAGE,A.G.COCHRAN JRNL TITL AMINO ACID DETERMINANTS OF BETA-HAIRPIN JRNL TITL 2 CONFORMATION IN ERYTHROPOEITIN RECEPTOR AGONIST JRNL TITL 3 PEPTIDES DERIVED FROM A PHAGE DISPLAY LIBRARY JRNL REF J.MOL.BIOL. V. 316 1121 2002 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH D.L.JOHNSON,F.X.FARRELL,F.P.BARBONE,F.J.MCMAHON, REMARK 1 AUTH 2 J.TULLAI,K.HOEY,O.LIVNAH,N.C.WRIGHTON, REMARK 1 AUTH 3 S.A.MIDDLETON,D.A.LOUGHNEY,W.J.DOWER,L.S.MULCAHY, REMARK 1 AUTH 4 I.A.WILSON,L.K.JOLLIFFE REMARK 1 TITL IDENTIFICATION OF A 13 AMINO ACID PEPTIDE MIMETIC REMARK 1 TITL 2 OF ERYTHROPOIETIN AND DESCRIPTION OF AMINO ACIDS REMARK 1 TITL 3 CRITICAL FOR THE MIMETIC ACTIVITY OF EMP1 REMARK 1 REF BIOCHEMISTRY V. 37 3699 1998 REMARK 1 REFN ASTM BICHAW US ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER 3.1 REMARK 3 AUTHORS : ACCELRYS REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON 52 NOE REMARK 3 DISTANCE RESTRAINTS, 11 PHI AND 4 CHI-1 DIHEDRAL ANGLE REMARK 3 RESTRAINTS. NO HYDROGEN BOND RESTRAINTS WERE EMPLOYED. THE REMARK 3 MEAN BACKBONE ATOM RMSD TO THE MEAN STRUCTURE WITHIN THE REMARK 3 DISULFIDE CYCLE IS 0.43 +/- 0.12 ANGSTOMS. REMARK 4 REMARK 4 1KVF COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 29-JAN-2002. REMARK 100 THE RCSB ID CODE IS RCSB015380. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303; 303 REMARK 210 PH : 5.1; 5.1 REMARK 210 IONIC STRENGTH : 0; 0 REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 3 MM PEPTIDE; 3 MM PEPTIDE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D-ROESY, 2D-NOESY, DQF-COSY, REMARK 210 COSY-35 REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DGII 98.0 REMARK 210 METHOD USED : DISTANCE GEOMETRY AND REMARK 210 RESTRAINED MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 80 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D REMARK 210 HOMONUCLEAR TECHNIQUES. THE SAMPLE CONTAINS A MIXTURE OF CIS REMARK 210 AND TRANS ISOMERS ABOUT THE GLY7-PRO8 PEPTIDE BOND. BOTH SETS REMARK 210 OF RESONANCES WERE ASSIGNED. THE TRANS ISOFORM IS NOT WELL REMARK 210 ORDERED IN SOLUTION. THE CIS ISOFORM IS STRUCTURED, ESPECIALLY REMARK 210 WITHIN THE DISULFIDE CYCLE. STRUCTURES WERE CALCULATED ON THE REMARK 210 BASIS OF RESTRAINTS GENERATED ONLY FROM THE CIS ISOFORM. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 4 GLN A 16 -73.31 65.83 REMARK 500 5 GLN A 16 -67.62 67.40 REMARK 500 18 GLN A 16 -60.40 72.62 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1GJE RELATED DB: PDB REMARK 900 PEPTIDE ANTAGONIST OF IGFBP-1, MINIMIZED AVERAGE STRUCTURE REMARK 900 RELATED ID: 1KVG RELATED DB: PDB REMARK 900 EPO-3 BETA HAIRPIN PEPTIDE REMARK 999 REMARK 999 SEQUENCE REMARK 999 AN APPROPRIATE DATABASE MATCH WAS REMARK 999 NOT AVAILABLE AT THE TIME OF PROCESSING. SEQRES 1 A 17 THR TYR SER CYS HIS PHE GLY PRO LEU THR TRP VAL CYS SEQRES 2 A 17 LYS PRO GLN NH2 HET NH2 A 17 3 HETNAM NH2 AMINO GROUP FORMUL 1 NH2 H2 N1 SHEET 1 A 2 SER A 3 PHE A 6 0 SHEET 2 A 2 TRP A 11 LYS A 14 -1 O LYS A 14 N SER A 3 SSBOND 1 CYS A 4 CYS A 13 CISPEP 1 GLY A 7 PRO A 8 1 4.83 CISPEP 2 GLY A 7 PRO A 8 2 -0.49 CISPEP 3 GLY A 7 PRO A 8 3 1.02 CISPEP 4 GLY A 7 PRO A 8 4 -0.34 CISPEP 5 GLY A 7 PRO A 8 5 1.02 CISPEP 6 GLY A 7 PRO A 8 6 3.75 CISPEP 7 GLY A 7 PRO A 8 7 -5.54 CISPEP 8 GLY A 7 PRO A 8 8 2.09 CISPEP 9 GLY A 7 PRO A 8 9 1.27 CISPEP 10 GLY A 7 PRO A 8 10 3.35 CISPEP 11 GLY A 7 PRO A 8 11 -0.29 CISPEP 12 GLY A 7 PRO A 8 12 5.24 CISPEP 13 GLY A 7 PRO A 8 13 1.59 CISPEP 14 GLY A 7 PRO A 8 14 3.73 CISPEP 15 GLY A 7 PRO A 8 15 4.93 CISPEP 16 GLY A 7 PRO A 8 16 2.47 CISPEP 17 GLY A 7 PRO A 8 17 1.45 CISPEP 18 GLY A 7 PRO A 8 18 -1.19 CISPEP 19 GLY A 7 PRO A 8 19 2.78 CISPEP 20 GLY A 7 PRO A 8 20 4.67 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 ATOM 1 N THR A 1 -7.891 -0.709 -2.562 1.00 0.00 N ATOM 2 CA THR A 1 -8.289 -1.684 -3.593 1.00 0.00 C ATOM 3 C THR A 1 -7.151 -1.941 -4.582 1.00 0.00 C ATOM 4 O THR A 1 -6.643 -3.057 -4.671 1.00 0.00 O ATOM 5 CB THR A 1 -9.570 -1.246 -4.325 1.00 0.00 C ATOM 6 OG1 THR A 1 -9.426 0.055 -4.859 1.00 0.00 O ATOM 7 CG2 THR A 1 -10.788 -1.274 -3.396 1.00 0.00 C ATOM 8 1H THR A 1 -7.702 0.182 -2.999 1.00 0.00 H ATOM 9 2H THR A 1 -8.633 -0.604 -1.886 1.00 0.00 H ATOM 10 3H THR A 1 -7.056 -1.036 -2.097 1.00 0.00 H ATOM 11 HA THR A 1 -8.498 -2.628 -3.087 1.00 0.00 H ATOM 12 HB THR A 1 -9.756 -1.939 -5.147 1.00 0.00 H ATOM 13 HG1 THR A 1 -9.382 0.684 -4.134 1.00 0.00 H ATOM 14 1HG2 THR A 1 -11.681 -1.007 -3.963 1.00 0.00 H ATOM 15 2HG2 THR A 1 -10.919 -2.276 -2.986 1.00 0.00 H ATOM 16 3HG2 THR A 1 -10.665 -0.564 -2.579 1.00 0.00 H ATOM 17 N TYR A 2 -6.762 -0.903 -5.329 1.00 0.00 N ATOM 18 CA TYR A 2 -5.746 -0.986 -6.366 1.00 0.00 C ATOM 19 C TYR A 2 -4.348 -1.097 -5.755 1.00 0.00 C ATOM 20 O TYR A 2 -4.133 -0.712 -4.607 1.00 0.00 O ATOM 21 CB TYR A 2 -5.835 0.252 -7.268 1.00 0.00 C ATOM 22 CG TYR A 2 -7.153 0.516 -7.981 1.00 0.00 C ATOM 23 CD1 TYR A 2 -8.156 -0.469 -8.084 1.00 0.00 C ATOM 24 CD2 TYR A 2 -7.352 1.769 -8.591 1.00 0.00 C ATOM 25 CE1 TYR A 2 -9.324 -0.218 -8.824 1.00 0.00 C ATOM 26 CE2 TYR A 2 -8.522 2.022 -9.326 1.00 0.00 C ATOM 27 CZ TYR A 2 -9.505 1.027 -9.450 1.00 0.00 C ATOM 28 OH TYR A 2 -10.633 1.271 -10.178 1.00 0.00 O ATOM 29 H TYR A 2 -7.247 -0.024 -5.213 1.00 0.00 H ATOM 30 HA TYR A 2 -5.918 -1.878 -6.968 1.00 0.00 H ATOM 31 1HB TYR A 2 -5.596 1.128 -6.662 1.00 0.00 H ATOM 32 2HB TYR A 2 -5.070 0.159 -8.038 1.00 0.00 H ATOM 33 HD1 TYR A 2 -8.038 -1.434 -7.623 1.00 0.00 H ATOM 34 HD2 TYR A 2 -6.593 2.535 -8.515 1.00 0.00 H ATOM 35 HE1 TYR A 2 -10.078 -0.986 -8.911 1.00 0.00 H ATOM 36 HE2 TYR A 2 -8.662 2.982 -9.802 1.00 0.00 H ATOM 37 HH TYR A 2 -11.238 0.527 -10.201 1.00 0.00 H ATOM 38 N SER A 3 -3.395 -1.601 -6.548 1.00 0.00 N ATOM 39 CA SER A 3 -1.997 -1.727 -6.161 1.00 0.00 C ATOM 40 C SER A 3 -1.235 -0.549 -6.768 1.00 0.00 C ATOM 41 O SER A 3 -0.441 -0.729 -7.689 1.00 0.00 O ATOM 42 CB SER A 3 -1.465 -3.088 -6.629 1.00 0.00 C ATOM 43 OG SER A 3 -0.129 -3.277 -6.214 1.00 0.00 O ATOM 44 H SER A 3 -3.639 -1.861 -7.495 1.00 0.00 H ATOM 45 HA SER A 3 -1.892 -1.689 -5.075 1.00 0.00 H ATOM 46 1HB SER A 3 -2.070 -3.880 -6.188 1.00 0.00 H ATOM 47 2HB SER A 3 -1.521 -3.165 -7.716 1.00 0.00 H ATOM 48 HG SER A 3 -0.081 -3.168 -5.261 1.00 0.00 H ATOM 49 N CYS A 4 -1.522 0.654 -6.251 1.00 0.00 N ATOM 50 CA CYS A 4 -0.966 1.928 -6.692 1.00 0.00 C ATOM 51 C CYS A 4 -0.058 2.479 -5.599 1.00 0.00 C ATOM 52 O CYS A 4 -0.513 3.153 -4.677 1.00 0.00 O ATOM 53 CB CYS A 4 -2.094 2.865 -7.131 1.00 0.00 C ATOM 54 SG CYS A 4 -3.027 2.190 -8.538 1.00 0.00 S ATOM 55 H CYS A 4 -2.192 0.690 -5.496 1.00 0.00 H ATOM 56 HA CYS A 4 -0.339 1.797 -7.560 1.00 0.00 H ATOM 57 1HB CYS A 4 -2.783 3.005 -6.297 1.00 0.00 H ATOM 58 2HB CYS A 4 -1.683 3.836 -7.407 1.00 0.00 H ATOM 59 N HIS A 5 1.226 2.122 -5.705 1.00 0.00 N ATOM 60 CA HIS A 5 2.260 2.339 -4.705 1.00 0.00 C ATOM 61 C HIS A 5 3.573 2.730 -5.385 1.00 0.00 C ATOM 62 O HIS A 5 3.751 2.495 -6.581 1.00 0.00 O ATOM 63 CB HIS A 5 2.456 1.030 -3.928 1.00 0.00 C ATOM 64 CG HIS A 5 2.918 -0.098 -4.820 1.00 0.00 C ATOM 65 ND1 HIS A 5 2.026 -0.790 -5.639 1.00 0.00 N ATOM 66 CD2 HIS A 5 4.179 -0.592 -5.023 1.00 0.00 C ATOM 67 CE1 HIS A 5 2.788 -1.634 -6.338 1.00 0.00 C ATOM 68 NE2 HIS A 5 4.088 -1.552 -6.009 1.00 0.00 N ATOM 69 H HIS A 5 1.503 1.583 -6.517 1.00 0.00 H ATOM 70 HA HIS A 5 1.963 3.131 -4.017 1.00 0.00 H ATOM 71 1HB HIS A 5 3.196 1.184 -3.142 1.00 0.00 H ATOM 72 2HB HIS A 5 1.513 0.746 -3.457 1.00 0.00 H ATOM 73 HD2 HIS A 5 5.084 -0.254 -4.542 1.00 0.00 H ATOM 74 HE1 HIS A 5 2.402 -2.310 -7.087 1.00 0.00 H ATOM 75 HE2 HIS A 5 4.855 -2.074 -6.408 1.00 0.00 H ATOM 76 N PHE A 6 4.512 3.276 -4.601 1.00 0.00 N ATOM 77 CA PHE A 6 5.879 3.485 -5.050 1.00 0.00 C ATOM 78 C PHE A 6 6.663 2.193 -4.828 1.00 0.00 C ATOM 79 O PHE A 6 6.879 1.799 -3.684 1.00 0.00 O ATOM 80 CB PHE A 6 6.548 4.648 -4.312 1.00 0.00 C ATOM 81 CG PHE A 6 7.964 4.884 -4.806 1.00 0.00 C ATOM 82 CD1 PHE A 6 8.177 5.395 -6.101 1.00 0.00 C ATOM 83 CD2 PHE A 6 9.066 4.543 -4.000 1.00 0.00 C ATOM 84 CE1 PHE A 6 9.484 5.523 -6.602 1.00 0.00 C ATOM 85 CE2 PHE A 6 10.373 4.677 -4.500 1.00 0.00 C ATOM 86 CZ PHE A 6 10.582 5.162 -5.803 1.00 0.00 C ATOM 87 H PHE A 6 4.306 3.437 -3.626 1.00 0.00 H ATOM 88 HA PHE A 6 5.876 3.742 -6.106 1.00 0.00 H ATOM 89 1HB PHE A 6 5.972 5.559 -4.465 1.00 0.00 H ATOM 90 2HB PHE A 6 6.559 4.438 -3.241 1.00 0.00 H ATOM 91 HD1 PHE A 6 7.340 5.666 -6.726 1.00 0.00 H ATOM 92 HD2 PHE A 6 8.915 4.148 -3.006 1.00 0.00 H ATOM 93 HE1 PHE A 6 9.646 5.895 -7.604 1.00 0.00 H ATOM 94 HE2 PHE A 6 11.217 4.398 -3.887 1.00 0.00 H ATOM 95 HZ PHE A 6 11.586 5.254 -6.191 1.00 0.00 H ATOM 96 N GLY A 7 7.090 1.542 -5.914 1.00 0.00 N ATOM 97 CA GLY A 7 7.911 0.344 -5.859 1.00 0.00 C ATOM 98 C GLY A 7 7.655 -0.533 -7.086 1.00 0.00 C ATOM 99 O GLY A 7 6.581 -0.444 -7.678 1.00 0.00 O ATOM 100 H GLY A 7 6.883 1.910 -6.834 1.00 0.00 H ATOM 101 1HA GLY A 7 8.946 0.675 -5.818 1.00 0.00 H ATOM 102 2HA GLY A 7 7.687 -0.242 -4.966 1.00 0.00 H ATOM 103 N PRO A 8 8.608 -1.398 -7.473 1.00 0.00 N ATOM 104 CA PRO A 8 9.859 -1.669 -6.775 1.00 0.00 C ATOM 105 C PRO A 8 10.902 -0.573 -7.020 1.00 0.00 C ATOM 106 O PRO A 8 11.530 -0.111 -6.070 1.00 0.00 O ATOM 107 CB PRO A 8 10.325 -3.028 -7.305 1.00 0.00 C ATOM 108 CG PRO A 8 9.743 -3.091 -8.717 1.00 0.00 C ATOM 109 CD PRO A 8 8.435 -2.308 -8.593 1.00 0.00 C ATOM 110 HA PRO A 8 9.683 -1.759 -5.702 1.00 0.00 H ATOM 111 1HB PRO A 8 11.411 -3.136 -7.298 1.00 0.00 H ATOM 112 2HB PRO A 8 9.871 -3.818 -6.704 1.00 0.00 H ATOM 113 1HG PRO A 8 10.413 -2.589 -9.416 1.00 0.00 H ATOM 114 2HG PRO A 8 9.575 -4.118 -9.044 1.00 0.00 H ATOM 115 1HD PRO A 8 8.225 -1.766 -9.516 1.00 0.00 H ATOM 116 2HD PRO A 8 7.617 -2.995 -8.372 1.00 0.00 H ATOM 117 N LEU A 9 11.079 -0.158 -8.281 1.00 0.00 N ATOM 118 CA LEU A 9 12.009 0.891 -8.679 1.00 0.00 C ATOM 119 C LEU A 9 11.234 2.193 -8.876 1.00 0.00 C ATOM 120 O LEU A 9 11.501 3.182 -8.196 1.00 0.00 O ATOM 121 CB LEU A 9 12.745 0.454 -9.956 1.00 0.00 C ATOM 122 CG LEU A 9 13.722 1.509 -10.507 1.00 0.00 C ATOM 123 CD1 LEU A 9 14.849 1.826 -9.516 1.00 0.00 C ATOM 124 CD2 LEU A 9 14.330 0.992 -11.816 1.00 0.00 C ATOM 125 H LEU A 9 10.510 -0.569 -9.006 1.00 0.00 H ATOM 126 HA LEU A 9 12.750 1.038 -7.894 1.00 0.00 H ATOM 127 1HB LEU A 9 13.299 -0.460 -9.740 1.00 0.00 H ATOM 128 2HB LEU A 9 12.008 0.228 -10.729 1.00 0.00 H ATOM 129 HG LEU A 9 13.185 2.431 -10.730 1.00 0.00 H ATOM 130 1HD1 LEU A 9 15.356 0.908 -9.218 1.00 0.00 H ATOM 131 2HD1 LEU A 9 15.571 2.494 -9.986 1.00 0.00 H ATOM 132 3HD1 LEU A 9 14.450 2.324 -8.633 1.00 0.00 H ATOM 133 1HD2 LEU A 9 13.538 0.791 -12.538 1.00 0.00 H ATOM 134 2HD2 LEU A 9 15.001 1.743 -12.234 1.00 0.00 H ATOM 135 3HD2 LEU A 9 14.889 0.074 -11.633 1.00 0.00 H ATOM 136 N THR A 10 10.274 2.179 -9.806 1.00 0.00 N ATOM 137 CA THR A 10 9.398 3.299 -10.117 1.00 0.00 C ATOM 138 C THR A 10 8.051 3.087 -9.421 1.00 0.00 C ATOM 139 O THR A 10 7.875 2.122 -8.678 1.00 0.00 O ATOM 140 CB THR A 10 9.224 3.388 -11.644 1.00 0.00 C ATOM 141 OG1 THR A 10 8.606 2.215 -12.137 1.00 0.00 O ATOM 142 CG2 THR A 10 10.568 3.583 -12.354 1.00 0.00 C ATOM 143 H THR A 10 10.111 1.326 -10.322 1.00 0.00 H ATOM 144 HA THR A 10 9.830 4.236 -9.763 1.00 0.00 H ATOM 145 HB THR A 10 8.594 4.244 -11.891 1.00 0.00 H ATOM 146 HG1 THR A 10 7.695 2.190 -11.830 1.00 0.00 H ATOM 147 1HG2 THR A 10 11.198 2.702 -12.233 1.00 0.00 H ATOM 148 2HG2 THR A 10 10.393 3.742 -13.419 1.00 0.00 H ATOM 149 3HG2 THR A 10 11.080 4.454 -11.946 1.00 0.00 H ATOM 150 N TRP A 11 7.083 3.970 -9.689 1.00 0.00 N ATOM 151 CA TRP A 11 5.710 3.754 -9.269 1.00 0.00 C ATOM 152 C TRP A 11 5.082 2.664 -10.139 1.00 0.00 C ATOM 153 O TRP A 11 5.387 2.570 -11.328 1.00 0.00 O ATOM 154 CB TRP A 11 4.920 5.066 -9.342 1.00 0.00 C ATOM 155 CG TRP A 11 3.598 5.048 -8.634 1.00 0.00 C ATOM 156 CD1 TRP A 11 2.456 4.501 -9.108 1.00 0.00 C ATOM 157 CD2 TRP A 11 3.260 5.586 -7.321 1.00 0.00 C ATOM 158 NE1 TRP A 11 1.447 4.633 -8.176 1.00 0.00 N ATOM 159 CE2 TRP A 11 1.888 5.304 -7.055 1.00 0.00 C ATOM 160 CE3 TRP A 11 3.972 6.290 -6.326 1.00 0.00 C ATOM 161 CZ2 TRP A 11 1.258 5.695 -5.866 1.00 0.00 C ATOM 162 CZ3 TRP A 11 3.354 6.670 -5.119 1.00 0.00 C ATOM 163 CH2 TRP A 11 2.001 6.370 -4.886 1.00 0.00 C ATOM 164 H TRP A 11 7.274 4.753 -10.296 1.00 0.00 H ATOM 165 HA TRP A 11 5.715 3.420 -8.235 1.00 0.00 H ATOM 166 1HB TRP A 11 5.521 5.853 -8.886 1.00 0.00 H ATOM 167 2HB TRP A 11 4.760 5.332 -10.388 1.00 0.00 H ATOM 168 HD1 TRP A 11 2.352 4.014 -10.066 1.00 0.00 H ATOM 169 HE1 TRP A 11 0.501 4.298 -8.280 1.00 0.00 H ATOM 170 HE3 TRP A 11 5.007 6.543 -6.494 1.00 0.00 H ATOM 171 HZ2 TRP A 11 0.211 5.486 -5.707 1.00 0.00 H ATOM 172 HZ3 TRP A 11 3.921 7.203 -4.370 1.00 0.00 H ATOM 173 HH2 TRP A 11 1.532 6.668 -3.960 1.00 0.00 H ATOM 174 N VAL A 12 4.213 1.846 -9.537 1.00 0.00 N ATOM 175 CA VAL A 12 3.422 0.828 -10.217 1.00 0.00 C ATOM 176 C VAL A 12 1.979 0.993 -9.746 1.00 0.00 C ATOM 177 O VAL A 12 1.752 1.160 -8.549 1.00 0.00 O ATOM 178 CB VAL A 12 3.981 -0.570 -9.898 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.036 -1.681 -10.375 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.347 -0.767 -10.571 1.00 0.00 C ATOM 181 H VAL A 12 4.019 1.987 -8.552 1.00 0.00 H ATOM 182 HA VAL A 12 3.453 0.981 -11.297 1.00 0.00 H ATOM 183 HB VAL A 12 4.104 -0.669 -8.819 1.00 0.00 H ATOM 184 1HG1 VAL A 12 2.822 -1.555 -11.436 1.00 0.00 H ATOM 185 2HG1 VAL A 12 3.502 -2.654 -10.218 1.00 0.00 H ATOM 186 3HG1 VAL A 12 2.104 -1.657 -9.812 1.00 0.00 H ATOM 187 1HG2 VAL A 12 6.057 -0.015 -10.230 1.00 0.00 H ATOM 188 2HG2 VAL A 12 5.740 -1.753 -10.322 1.00 0.00 H ATOM 189 3HG2 VAL A 12 5.243 -0.690 -11.654 1.00 0.00 H ATOM 190 N CYS A 13 1.024 0.977 -10.690 1.00 0.00 N ATOM 191 CA CYS A 13 -0.394 1.192 -10.431 1.00 0.00 C ATOM 192 C CYS A 13 -1.243 0.247 -11.272 1.00 0.00 C ATOM 193 O CYS A 13 -1.613 0.570 -12.399 1.00 0.00 O ATOM 194 CB CYS A 13 -0.740 2.674 -10.612 1.00 0.00 C ATOM 195 SG CYS A 13 -2.426 3.218 -10.204 1.00 0.00 S ATOM 196 H CYS A 13 1.297 0.832 -11.651 1.00 0.00 H ATOM 197 HA CYS A 13 -0.609 0.938 -9.406 1.00 0.00 H ATOM 198 1HB CYS A 13 -0.074 3.241 -9.967 1.00 0.00 H ATOM 199 2HB CYS A 13 -0.531 2.968 -11.642 1.00 0.00 H ATOM 200 N LYS A 14 -1.553 -0.921 -10.694 1.00 0.00 N ATOM 201 CA LYS A 14 -2.408 -1.935 -11.290 1.00 0.00 C ATOM 202 C LYS A 14 -3.809 -1.810 -10.676 1.00 0.00 C ATOM 203 O LYS A 14 -3.939 -1.955 -9.459 1.00 0.00 O ATOM 204 CB LYS A 14 -1.823 -3.331 -11.028 1.00 0.00 C ATOM 205 CG LYS A 14 -0.400 -3.526 -11.576 1.00 0.00 C ATOM 206 CD LYS A 14 -0.329 -3.387 -13.103 1.00 0.00 C ATOM 207 CE LYS A 14 1.068 -3.712 -13.644 1.00 0.00 C ATOM 208 NZ LYS A 14 1.427 -5.127 -13.449 1.00 0.00 N ATOM 209 H LYS A 14 -1.209 -1.099 -9.759 1.00 0.00 H ATOM 210 HA LYS A 14 -2.444 -1.795 -12.367 1.00 0.00 H ATOM 211 1HB LYS A 14 -1.795 -3.509 -9.952 1.00 0.00 H ATOM 212 2HB LYS A 14 -2.478 -4.077 -11.479 1.00 0.00 H ATOM 213 1HG LYS A 14 0.278 -2.809 -11.113 1.00 0.00 H ATOM 214 2HG LYS A 14 -0.082 -4.529 -11.290 1.00 0.00 H ATOM 215 1HD LYS A 14 -1.059 -4.051 -13.569 1.00 0.00 H ATOM 216 2HD LYS A 14 -0.557 -2.359 -13.386 1.00 0.00 H ATOM 217 1HE LYS A 14 1.087 -3.499 -14.714 1.00 0.00 H ATOM 218 2HE LYS A 14 1.809 -3.082 -13.151 1.00 0.00 H ATOM 219 1HZ LYS A 14 0.741 -5.715 -13.901 1.00 0.00 H ATOM 220 2HZ LYS A 14 2.336 -5.302 -13.852 1.00 0.00 H ATOM 221 3HZ LYS A 14 1.454 -5.339 -12.462 1.00 0.00 H ATOM 222 N PRO A 15 -4.856 -1.535 -11.475 1.00 0.00 N ATOM 223 CA PRO A 15 -6.210 -1.359 -10.977 1.00 0.00 C ATOM 224 C PRO A 15 -6.854 -2.723 -10.705 1.00 0.00 C ATOM 225 O PRO A 15 -7.560 -3.263 -11.553 1.00 0.00 O ATOM 226 CB PRO A 15 -6.937 -0.560 -12.062 1.00 0.00 C ATOM 227 CG PRO A 15 -6.250 -1.024 -13.346 1.00 0.00 C ATOM 228 CD PRO A 15 -4.805 -1.260 -12.904 1.00 0.00 C ATOM 229 HA PRO A 15 -6.200 -0.770 -10.064 1.00 0.00 H ATOM 230 1HB PRO A 15 -8.014 -0.728 -12.075 1.00 0.00 H ATOM 231 2HB PRO A 15 -6.732 0.502 -11.917 1.00 0.00 H ATOM 232 1HG PRO A 15 -6.689 -1.966 -13.677 1.00 0.00 H ATOM 233 2HG PRO A 15 -6.321 -0.281 -14.142 1.00 0.00 H ATOM 234 1HD PRO A 15 -4.384 -2.097 -13.463 1.00 0.00 H ATOM 235 2HD PRO A 15 -4.222 -0.354 -13.077 1.00 0.00 H ATOM 236 N GLN A 16 -6.594 -3.280 -9.515 1.00 0.00 N ATOM 237 CA GLN A 16 -7.044 -4.612 -9.130 1.00 0.00 C ATOM 238 C GLN A 16 -8.574 -4.688 -9.094 1.00 0.00 C ATOM 239 O GLN A 16 -9.179 -5.425 -9.868 1.00 0.00 O ATOM 240 CB GLN A 16 -6.438 -5.011 -7.776 1.00 0.00 C ATOM 241 CG GLN A 16 -4.905 -5.024 -7.812 1.00 0.00 C ATOM 242 CD GLN A 16 -4.307 -5.605 -6.534 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.567 -6.585 -6.584 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.611 -5.003 -5.383 1.00 0.00 N ATOM 245 H GLN A 16 -5.984 -2.784 -8.882 1.00 0.00 H ATOM 246 HA GLN A 16 -6.687 -5.322 -9.878 1.00 0.00 H ATOM 247 1HB GLN A 16 -6.774 -4.318 -7.005 1.00 0.00 H ATOM 248 2HB GLN A 16 -6.790 -6.012 -7.523 1.00 0.00 H ATOM 249 1HG GLN A 16 -4.573 -5.625 -8.660 1.00 0.00 H ATOM 250 2HG GLN A 16 -4.525 -4.011 -7.935 1.00 0.00 H ATOM 251 1HE2 GLN A 16 -5.239 -4.210 -5.364 1.00 0.00 H ATOM 252 2HE2 GLN A 16 -4.229 -5.362 -4.520 1.00 0.00 H HETATM 253 N NH2 A 17 -9.206 -3.934 -8.193 1.00 0.00 N HETATM 254 1HN NH2 A 17 -10.214 -3.959 -8.140 1.00 0.00 H HETATM 255 2HN NH2 A 17 -8.676 -3.356 -7.559 1.00 0.00 H TER 256 NH2 A 17 ENDMDL MODEL 2 ATOM 1 N THR A 1 2.495 -7.026 -5.423 1.00 0.00 N ATOM 2 CA THR A 1 1.049 -6.980 -5.712 1.00 0.00 C ATOM 3 C THR A 1 0.721 -5.898 -6.741 1.00 0.00 C ATOM 4 O THR A 1 1.481 -4.944 -6.905 1.00 0.00 O ATOM 5 CB THR A 1 0.223 -6.765 -4.433 1.00 0.00 C ATOM 6 OG1 THR A 1 0.564 -5.534 -3.827 1.00 0.00 O ATOM 7 CG2 THR A 1 0.419 -7.901 -3.424 1.00 0.00 C ATOM 8 1H THR A 1 3.002 -7.183 -6.282 1.00 0.00 H ATOM 9 2H THR A 1 2.780 -6.141 -5.027 1.00 0.00 H ATOM 10 3H THR A 1 2.694 -7.772 -4.772 1.00 0.00 H ATOM 11 HA THR A 1 0.775 -7.945 -6.140 1.00 0.00 H ATOM 12 HB THR A 1 -0.834 -6.732 -4.699 1.00 0.00 H ATOM 13 HG1 THR A 1 1.484 -5.569 -3.554 1.00 0.00 H ATOM 14 1HG2 THR A 1 1.448 -7.929 -3.066 1.00 0.00 H ATOM 15 2HG2 THR A 1 -0.244 -7.745 -2.572 1.00 0.00 H ATOM 16 3HG2 THR A 1 0.173 -8.856 -3.890 1.00 0.00 H ATOM 17 N TYR A 2 -0.431 -6.035 -7.409 1.00 0.00 N ATOM 18 CA TYR A 2 -0.954 -5.042 -8.341 1.00 0.00 C ATOM 19 C TYR A 2 -1.657 -3.921 -7.568 1.00 0.00 C ATOM 20 O TYR A 2 -2.845 -3.669 -7.752 1.00 0.00 O ATOM 21 CB TYR A 2 -1.833 -5.721 -9.407 1.00 0.00 C ATOM 22 CG TYR A 2 -2.875 -6.709 -8.906 1.00 0.00 C ATOM 23 CD1 TYR A 2 -2.536 -8.070 -8.773 1.00 0.00 C ATOM 24 CD2 TYR A 2 -4.195 -6.296 -8.639 1.00 0.00 C ATOM 25 CE1 TYR A 2 -3.496 -9.002 -8.344 1.00 0.00 C ATOM 26 CE2 TYR A 2 -5.151 -7.225 -8.195 1.00 0.00 C ATOM 27 CZ TYR A 2 -4.804 -8.579 -8.052 1.00 0.00 C ATOM 28 OH TYR A 2 -5.740 -9.478 -7.632 1.00 0.00 O ATOM 29 H TYR A 2 -1.009 -6.837 -7.210 1.00 0.00 H ATOM 30 HA TYR A 2 -0.126 -4.580 -8.881 1.00 0.00 H ATOM 31 1HB TYR A 2 -2.318 -4.952 -10.003 1.00 0.00 H ATOM 32 2HB TYR A 2 -1.164 -6.263 -10.077 1.00 0.00 H ATOM 33 HD1 TYR A 2 -1.534 -8.405 -9.000 1.00 0.00 H ATOM 34 HD2 TYR A 2 -4.492 -5.268 -8.777 1.00 0.00 H ATOM 35 HE1 TYR A 2 -3.225 -10.042 -8.241 1.00 0.00 H ATOM 36 HE2 TYR A 2 -6.155 -6.898 -7.968 1.00 0.00 H ATOM 37 HH TYR A 2 -5.403 -10.375 -7.567 1.00 0.00 H ATOM 38 N SER A 3 -0.897 -3.232 -6.709 1.00 0.00 N ATOM 39 CA SER A 3 -1.345 -2.072 -5.952 1.00 0.00 C ATOM 40 C SER A 3 -0.853 -0.796 -6.642 1.00 0.00 C ATOM 41 O SER A 3 -0.210 -0.865 -7.689 1.00 0.00 O ATOM 42 CB SER A 3 -0.830 -2.194 -4.511 1.00 0.00 C ATOM 43 OG SER A 3 -1.374 -1.179 -3.692 1.00 0.00 O ATOM 44 H SER A 3 0.079 -3.486 -6.629 1.00 0.00 H ATOM 45 HA SER A 3 -2.435 -2.044 -5.914 1.00 0.00 H ATOM 46 1HB SER A 3 -1.132 -3.160 -4.104 1.00 0.00 H ATOM 47 2HB SER A 3 0.258 -2.131 -4.495 1.00 0.00 H ATOM 48 HG SER A 3 -1.039 -1.292 -2.799 1.00 0.00 H ATOM 49 N CYS A 4 -1.167 0.362 -6.050 1.00 0.00 N ATOM 50 CA CYS A 4 -0.746 1.682 -6.499 1.00 0.00 C ATOM 51 C CYS A 4 0.267 2.230 -5.501 1.00 0.00 C ATOM 52 O CYS A 4 -0.094 2.921 -4.550 1.00 0.00 O ATOM 53 CB CYS A 4 -1.971 2.577 -6.701 1.00 0.00 C ATOM 54 SG CYS A 4 -2.910 2.112 -8.181 1.00 0.00 S ATOM 55 H CYS A 4 -1.667 0.310 -5.172 1.00 0.00 H ATOM 56 HA CYS A 4 -0.246 1.622 -7.458 1.00 0.00 H ATOM 57 1HB CYS A 4 -2.620 2.500 -5.829 1.00 0.00 H ATOM 58 2HB CYS A 4 -1.656 3.615 -6.807 1.00 0.00 H ATOM 59 N HIS A 5 1.536 1.867 -5.721 1.00 0.00 N ATOM 60 CA HIS A 5 2.644 2.095 -4.807 1.00 0.00 C ATOM 61 C HIS A 5 3.895 2.497 -5.588 1.00 0.00 C ATOM 62 O HIS A 5 4.067 2.102 -6.743 1.00 0.00 O ATOM 63 CB HIS A 5 2.899 0.813 -4.004 1.00 0.00 C ATOM 64 CG HIS A 5 3.319 -0.354 -4.865 1.00 0.00 C ATOM 65 ND1 HIS A 5 2.415 -1.003 -5.707 1.00 0.00 N ATOM 66 CD2 HIS A 5 4.557 -0.916 -5.028 1.00 0.00 C ATOM 67 CE1 HIS A 5 3.144 -1.913 -6.356 1.00 0.00 C ATOM 68 NE2 HIS A 5 4.434 -1.904 -5.984 1.00 0.00 N ATOM 69 H HIS A 5 1.738 1.311 -6.544 1.00 0.00 H ATOM 70 HA HIS A 5 2.393 2.897 -4.112 1.00 0.00 H ATOM 71 1HB HIS A 5 3.684 1.006 -3.272 1.00 0.00 H ATOM 72 2HB HIS A 5 1.990 0.542 -3.465 1.00 0.00 H ATOM 73 HD2 HIS A 5 5.466 -0.617 -4.528 1.00 0.00 H ATOM 74 HE1 HIS A 5 2.741 -2.578 -7.105 1.00 0.00 H ATOM 75 HE2 HIS A 5 5.178 -2.484 -6.344 1.00 0.00 H ATOM 76 N PHE A 6 4.784 3.259 -4.939 1.00 0.00 N ATOM 77 CA PHE A 6 6.075 3.620 -5.502 1.00 0.00 C ATOM 78 C PHE A 6 7.088 2.525 -5.175 1.00 0.00 C ATOM 79 O PHE A 6 7.874 2.646 -4.238 1.00 0.00 O ATOM 80 CB PHE A 6 6.516 5.005 -5.012 1.00 0.00 C ATOM 81 CG PHE A 6 7.705 5.545 -5.785 1.00 0.00 C ATOM 82 CD1 PHE A 6 7.524 6.011 -7.101 1.00 0.00 C ATOM 83 CD2 PHE A 6 9.003 5.476 -5.243 1.00 0.00 C ATOM 84 CE1 PHE A 6 8.631 6.405 -7.871 1.00 0.00 C ATOM 85 CE2 PHE A 6 10.109 5.878 -6.011 1.00 0.00 C ATOM 86 CZ PHE A 6 9.924 6.341 -7.325 1.00 0.00 C ATOM 87 H PHE A 6 4.586 3.544 -3.991 1.00 0.00 H ATOM 88 HA PHE A 6 5.990 3.685 -6.585 1.00 0.00 H ATOM 89 1HB PHE A 6 5.689 5.704 -5.146 1.00 0.00 H ATOM 90 2HB PHE A 6 6.744 4.968 -3.946 1.00 0.00 H ATOM 91 HD1 PHE A 6 6.533 6.058 -7.525 1.00 0.00 H ATOM 92 HD2 PHE A 6 9.157 5.100 -4.242 1.00 0.00 H ATOM 93 HE1 PHE A 6 8.488 6.756 -8.883 1.00 0.00 H ATOM 94 HE2 PHE A 6 11.105 5.816 -5.597 1.00 0.00 H ATOM 95 HZ PHE A 6 10.777 6.637 -7.919 1.00 0.00 H ATOM 96 N GLY A 7 7.057 1.449 -5.964 1.00 0.00 N ATOM 97 CA GLY A 7 8.022 0.370 -5.887 1.00 0.00 C ATOM 98 C GLY A 7 7.707 -0.675 -6.960 1.00 0.00 C ATOM 99 O GLY A 7 6.650 -0.592 -7.583 1.00 0.00 O ATOM 100 H GLY A 7 6.382 1.409 -6.717 1.00 0.00 H ATOM 101 1HA GLY A 7 8.998 0.821 -6.042 1.00 0.00 H ATOM 102 2HA GLY A 7 7.984 -0.094 -4.901 1.00 0.00 H ATOM 103 N PRO A 8 8.579 -1.674 -7.188 1.00 0.00 N ATOM 104 CA PRO A 8 9.857 -1.901 -6.520 1.00 0.00 C ATOM 105 C PRO A 8 10.846 -0.745 -6.685 1.00 0.00 C ATOM 106 O PRO A 8 11.597 -0.449 -5.758 1.00 0.00 O ATOM 107 CB PRO A 8 10.423 -3.185 -7.136 1.00 0.00 C ATOM 108 CG PRO A 8 9.180 -3.922 -7.628 1.00 0.00 C ATOM 109 CD PRO A 8 8.285 -2.775 -8.090 1.00 0.00 C ATOM 110 HA PRO A 8 9.665 -2.074 -5.459 1.00 0.00 H ATOM 111 1HB PRO A 8 11.049 -2.947 -7.997 1.00 0.00 H ATOM 112 2HB PRO A 8 10.991 -3.773 -6.414 1.00 0.00 H ATOM 113 1HG PRO A 8 9.402 -4.626 -8.431 1.00 0.00 H ATOM 114 2HG PRO A 8 8.708 -4.438 -6.790 1.00 0.00 H ATOM 115 1HD PRO A 8 8.547 -2.482 -9.107 1.00 0.00 H ATOM 116 2HD PRO A 8 7.237 -3.076 -8.047 1.00 0.00 H ATOM 117 N LEU A 9 10.819 -0.085 -7.852 1.00 0.00 N ATOM 118 CA LEU A 9 11.614 1.098 -8.155 1.00 0.00 C ATOM 119 C LEU A 9 10.694 2.261 -8.531 1.00 0.00 C ATOM 120 O LEU A 9 10.784 3.333 -7.939 1.00 0.00 O ATOM 121 CB LEU A 9 12.602 0.761 -9.283 1.00 0.00 C ATOM 122 CG LEU A 9 13.472 1.948 -9.732 1.00 0.00 C ATOM 123 CD1 LEU A 9 14.358 2.477 -8.598 1.00 0.00 C ATOM 124 CD2 LEU A 9 14.358 1.504 -10.901 1.00 0.00 C ATOM 125 H LEU A 9 10.175 -0.400 -8.563 1.00 0.00 H ATOM 126 HA LEU A 9 12.184 1.392 -7.274 1.00 0.00 H ATOM 127 1HB LEU A 9 13.254 -0.045 -8.942 1.00 0.00 H ATOM 128 2HB LEU A 9 12.038 0.399 -10.144 1.00 0.00 H ATOM 129 HG LEU A 9 12.837 2.761 -10.087 1.00 0.00 H ATOM 130 1HD1 LEU A 9 14.950 1.665 -8.175 1.00 0.00 H ATOM 131 2HD1 LEU A 9 15.031 3.243 -8.986 1.00 0.00 H ATOM 132 3HD1 LEU A 9 13.749 2.926 -7.815 1.00 0.00 H ATOM 133 1HD2 LEU A 9 13.736 1.151 -11.724 1.00 0.00 H ATOM 134 2HD2 LEU A 9 14.958 2.345 -11.251 1.00 0.00 H ATOM 135 3HD2 LEU A 9 15.022 0.700 -10.583 1.00 0.00 H ATOM 136 N THR A 10 9.829 2.050 -9.531 1.00 0.00 N ATOM 137 CA THR A 10 9.013 3.087 -10.151 1.00 0.00 C ATOM 138 C THR A 10 7.587 3.071 -9.593 1.00 0.00 C ATOM 139 O THR A 10 7.229 2.203 -8.799 1.00 0.00 O ATOM 140 CB THR A 10 9.009 2.855 -11.671 1.00 0.00 C ATOM 141 OG1 THR A 10 8.540 1.553 -11.960 1.00 0.00 O ATOM 142 CG2 THR A 10 10.411 3.021 -12.267 1.00 0.00 C ATOM 143 H THR A 10 9.798 1.138 -9.964 1.00 0.00 H ATOM 144 HA THR A 10 9.442 4.071 -9.956 1.00 0.00 H ATOM 145 HB THR A 10 8.354 3.582 -12.154 1.00 0.00 H ATOM 146 HG1 THR A 10 7.636 1.470 -11.644 1.00 0.00 H ATOM 147 1HG2 THR A 10 11.086 2.258 -11.879 1.00 0.00 H ATOM 148 2HG2 THR A 10 10.357 2.922 -13.351 1.00 0.00 H ATOM 149 3HG2 THR A 10 10.804 4.009 -12.022 1.00 0.00 H ATOM 150 N TRP A 11 6.763 4.027 -10.042 1.00 0.00 N ATOM 151 CA TRP A 11 5.344 4.078 -9.727 1.00 0.00 C ATOM 152 C TRP A 11 4.611 2.945 -10.446 1.00 0.00 C ATOM 153 O TRP A 11 4.326 3.047 -11.639 1.00 0.00 O ATOM 154 CB TRP A 11 4.770 5.445 -10.113 1.00 0.00 C ATOM 155 CG TRP A 11 3.307 5.614 -9.828 1.00 0.00 C ATOM 156 CD1 TRP A 11 2.343 5.805 -10.756 1.00 0.00 C ATOM 157 CD2 TRP A 11 2.617 5.581 -8.542 1.00 0.00 C ATOM 158 NE1 TRP A 11 1.111 5.905 -10.143 1.00 0.00 N ATOM 159 CE2 TRP A 11 1.222 5.767 -8.775 1.00 0.00 C ATOM 160 CE3 TRP A 11 3.025 5.417 -7.201 1.00 0.00 C ATOM 161 CZ2 TRP A 11 0.282 5.780 -7.733 1.00 0.00 C ATOM 162 CZ3 TRP A 11 2.090 5.425 -6.148 1.00 0.00 C ATOM 163 CH2 TRP A 11 0.721 5.603 -6.412 1.00 0.00 C ATOM 164 H TRP A 11 7.121 4.718 -10.684 1.00 0.00 H ATOM 165 HA TRP A 11 5.214 3.959 -8.654 1.00 0.00 H ATOM 166 1HB TRP A 11 5.305 6.219 -9.563 1.00 0.00 H ATOM 167 2HB TRP A 11 4.944 5.616 -11.177 1.00 0.00 H ATOM 168 HD1 TRP A 11 2.509 5.869 -11.822 1.00 0.00 H ATOM 169 HE1 TRP A 11 0.230 6.052 -10.614 1.00 0.00 H ATOM 170 HE3 TRP A 11 4.072 5.292 -6.979 1.00 0.00 H ATOM 171 HZ2 TRP A 11 -0.767 5.924 -7.946 1.00 0.00 H ATOM 172 HZ3 TRP A 11 2.427 5.301 -5.130 1.00 0.00 H ATOM 173 HH2 TRP A 11 0.010 5.609 -5.599 1.00 0.00 H ATOM 174 N VAL A 12 4.297 1.875 -9.708 1.00 0.00 N ATOM 175 CA VAL A 12 3.505 0.759 -10.197 1.00 0.00 C ATOM 176 C VAL A 12 2.082 0.957 -9.686 1.00 0.00 C ATOM 177 O VAL A 12 1.826 0.775 -8.498 1.00 0.00 O ATOM 178 CB VAL A 12 4.120 -0.573 -9.738 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.221 -1.762 -10.103 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.488 -0.775 -10.407 1.00 0.00 C ATOM 181 H VAL A 12 4.549 1.867 -8.728 1.00 0.00 H ATOM 182 HA VAL A 12 3.491 0.744 -11.287 1.00 0.00 H ATOM 183 HB VAL A 12 4.251 -0.554 -8.656 1.00 0.00 H ATOM 184 1HG1 VAL A 12 3.032 -1.772 -11.176 1.00 0.00 H ATOM 185 2HG1 VAL A 12 3.714 -2.693 -9.820 1.00 0.00 H ATOM 186 3HG1 VAL A 12 2.270 -1.706 -9.573 1.00 0.00 H ATOM 187 1HG2 VAL A 12 6.165 0.040 -10.152 1.00 0.00 H ATOM 188 2HG2 VAL A 12 5.928 -1.712 -10.068 1.00 0.00 H ATOM 189 3HG2 VAL A 12 5.372 -0.810 -11.491 1.00 0.00 H ATOM 190 N CYS A 13 1.176 1.341 -10.593 1.00 0.00 N ATOM 191 CA CYS A 13 -0.251 1.488 -10.349 1.00 0.00 C ATOM 192 C CYS A 13 -1.008 0.964 -11.566 1.00 0.00 C ATOM 193 O CYS A 13 -1.583 1.732 -12.334 1.00 0.00 O ATOM 194 CB CYS A 13 -0.555 2.954 -10.017 1.00 0.00 C ATOM 195 SG CYS A 13 -2.273 3.404 -9.632 1.00 0.00 S ATOM 196 H CYS A 13 1.495 1.518 -11.535 1.00 0.00 H ATOM 197 HA CYS A 13 -0.549 0.868 -9.507 1.00 0.00 H ATOM 198 1HB CYS A 13 0.049 3.228 -9.154 1.00 0.00 H ATOM 199 2HB CYS A 13 -0.237 3.571 -10.857 1.00 0.00 H ATOM 200 N LYS A 14 -0.990 -0.365 -11.726 1.00 0.00 N ATOM 201 CA LYS A 14 -1.707 -1.091 -12.764 1.00 0.00 C ATOM 202 C LYS A 14 -2.579 -2.155 -12.088 1.00 0.00 C ATOM 203 O LYS A 14 -2.235 -3.335 -12.126 1.00 0.00 O ATOM 204 CB LYS A 14 -0.715 -1.718 -13.762 1.00 0.00 C ATOM 205 CG LYS A 14 0.073 -0.677 -14.572 1.00 0.00 C ATOM 206 CD LYS A 14 1.438 -0.350 -13.952 1.00 0.00 C ATOM 207 CE LYS A 14 2.123 0.772 -14.739 1.00 0.00 C ATOM 208 NZ LYS A 14 3.425 1.133 -14.151 1.00 0.00 N ATOM 209 H LYS A 14 -0.481 -0.918 -11.052 1.00 0.00 H ATOM 210 HA LYS A 14 -2.353 -0.427 -13.338 1.00 0.00 H ATOM 211 1HB LYS A 14 -0.024 -2.389 -13.250 1.00 0.00 H ATOM 212 2HB LYS A 14 -1.299 -2.306 -14.472 1.00 0.00 H ATOM 213 1HG LYS A 14 0.254 -1.085 -15.568 1.00 0.00 H ATOM 214 2HG LYS A 14 -0.521 0.232 -14.680 1.00 0.00 H ATOM 215 1HD LYS A 14 1.315 -0.036 -12.919 1.00 0.00 H ATOM 216 2HD LYS A 14 2.065 -1.242 -13.972 1.00 0.00 H ATOM 217 1HE LYS A 14 2.281 0.447 -15.767 1.00 0.00 H ATOM 218 2HE LYS A 14 1.487 1.659 -14.741 1.00 0.00 H ATOM 219 1HZ LYS A 14 4.017 0.316 -14.112 1.00 0.00 H ATOM 220 2HZ LYS A 14 3.866 1.840 -14.721 1.00 0.00 H ATOM 221 3HZ LYS A 14 3.291 1.497 -13.218 1.00 0.00 H ATOM 222 N PRO A 15 -3.696 -1.763 -11.450 1.00 0.00 N ATOM 223 CA PRO A 15 -4.555 -2.681 -10.721 1.00 0.00 C ATOM 224 C PRO A 15 -5.280 -3.616 -11.691 1.00 0.00 C ATOM 225 O PRO A 15 -6.164 -3.187 -12.430 1.00 0.00 O ATOM 226 CB PRO A 15 -5.517 -1.800 -9.918 1.00 0.00 C ATOM 227 CG PRO A 15 -5.596 -0.517 -10.744 1.00 0.00 C ATOM 228 CD PRO A 15 -4.188 -0.399 -11.326 1.00 0.00 C ATOM 229 HA PRO A 15 -3.959 -3.266 -10.022 1.00 0.00 H ATOM 230 1HB PRO A 15 -6.494 -2.262 -9.771 1.00 0.00 H ATOM 231 2HB PRO A 15 -5.066 -1.569 -8.952 1.00 0.00 H ATOM 232 1HG PRO A 15 -6.316 -0.648 -11.554 1.00 0.00 H ATOM 233 2HG PRO A 15 -5.867 0.348 -10.139 1.00 0.00 H ATOM 234 1HD PRO A 15 -4.232 0.120 -12.284 1.00 0.00 H ATOM 235 2HD PRO A 15 -3.558 0.150 -10.627 1.00 0.00 H ATOM 236 N GLN A 16 -4.892 -4.897 -11.686 1.00 0.00 N ATOM 237 CA GLN A 16 -5.450 -5.917 -12.561 1.00 0.00 C ATOM 238 C GLN A 16 -6.900 -6.220 -12.178 1.00 0.00 C ATOM 239 O GLN A 16 -7.785 -6.212 -13.030 1.00 0.00 O ATOM 240 CB GLN A 16 -4.589 -7.189 -12.497 1.00 0.00 C ATOM 241 CG GLN A 16 -3.122 -6.953 -12.885 1.00 0.00 C ATOM 242 CD GLN A 16 -2.976 -6.397 -14.299 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.065 -7.142 -15.272 1.00 0.00 O ATOM 244 NE2 GLN A 16 -2.749 -5.088 -14.421 1.00 0.00 N ATOM 245 H GLN A 16 -4.154 -5.175 -11.058 1.00 0.00 H ATOM 246 HA GLN A 16 -5.447 -5.543 -13.586 1.00 0.00 H ATOM 247 1HB GLN A 16 -4.614 -7.594 -11.485 1.00 0.00 H ATOM 248 2HB GLN A 16 -5.013 -7.931 -13.175 1.00 0.00 H ATOM 249 1HG GLN A 16 -2.648 -6.279 -12.172 1.00 0.00 H ATOM 250 2HG GLN A 16 -2.599 -7.910 -12.836 1.00 0.00 H ATOM 251 1HE2 GLN A 16 -2.673 -4.508 -13.595 1.00 0.00 H ATOM 252 2HE2 GLN A 16 -2.648 -4.682 -15.339 1.00 0.00 H HETATM 253 N NH2 A 17 -7.150 -6.488 -10.894 1.00 0.00 N HETATM 254 1HN NH2 A 17 -8.093 -6.692 -10.600 1.00 0.00 H HETATM 255 2HN NH2 A 17 -6.395 -6.479 -10.225 1.00 0.00 H TER 256 NH2 A 17 ENDMDL MODEL 3 ATOM 1 N THR A 1 -9.663 3.827 -6.168 1.00 0.00 N ATOM 2 CA THR A 1 -9.974 2.388 -6.248 1.00 0.00 C ATOM 3 C THR A 1 -8.699 1.553 -6.356 1.00 0.00 C ATOM 4 O THR A 1 -8.407 0.754 -5.471 1.00 0.00 O ATOM 5 CB THR A 1 -10.954 2.106 -7.399 1.00 0.00 C ATOM 6 OG1 THR A 1 -12.100 2.917 -7.236 1.00 0.00 O ATOM 7 CG2 THR A 1 -11.390 0.637 -7.429 1.00 0.00 C ATOM 8 1H THR A 1 -9.186 4.119 -7.008 1.00 0.00 H ATOM 9 2H THR A 1 -10.525 4.344 -6.073 1.00 0.00 H ATOM 10 3H THR A 1 -9.072 4.000 -5.367 1.00 0.00 H ATOM 11 HA THR A 1 -10.472 2.116 -5.318 1.00 0.00 H ATOM 12 HB THR A 1 -10.490 2.360 -8.353 1.00 0.00 H ATOM 13 HG1 THR A 1 -12.701 2.752 -7.966 1.00 0.00 H ATOM 14 1HG2 THR A 1 -12.131 0.493 -8.216 1.00 0.00 H ATOM 15 2HG2 THR A 1 -10.537 -0.009 -7.635 1.00 0.00 H ATOM 16 3HG2 THR A 1 -11.831 0.358 -6.471 1.00 0.00 H ATOM 17 N TYR A 2 -7.944 1.741 -7.444 1.00 0.00 N ATOM 18 CA TYR A 2 -6.731 0.983 -7.720 1.00 0.00 C ATOM 19 C TYR A 2 -5.643 1.297 -6.690 1.00 0.00 C ATOM 20 O TYR A 2 -5.601 2.389 -6.124 1.00 0.00 O ATOM 21 CB TYR A 2 -6.247 1.268 -9.150 1.00 0.00 C ATOM 22 CG TYR A 2 -6.845 0.378 -10.226 1.00 0.00 C ATOM 23 CD1 TYR A 2 -8.225 0.093 -10.245 1.00 0.00 C ATOM 24 CD2 TYR A 2 -6.002 -0.214 -11.187 1.00 0.00 C ATOM 25 CE1 TYR A 2 -8.747 -0.809 -11.187 1.00 0.00 C ATOM 26 CE2 TYR A 2 -6.525 -1.114 -12.131 1.00 0.00 C ATOM 27 CZ TYR A 2 -7.897 -1.418 -12.126 1.00 0.00 C ATOM 28 OH TYR A 2 -8.407 -2.305 -13.029 1.00 0.00 O ATOM 29 H TYR A 2 -8.227 2.433 -8.122 1.00 0.00 H ATOM 30 HA TYR A 2 -6.963 -0.080 -7.641 1.00 0.00 H ATOM 31 1HB TYR A 2 -6.428 2.313 -9.403 1.00 0.00 H ATOM 32 2HB TYR A 2 -5.170 1.112 -9.166 1.00 0.00 H ATOM 33 HD1 TYR A 2 -8.896 0.553 -9.535 1.00 0.00 H ATOM 34 HD2 TYR A 2 -4.944 0.006 -11.196 1.00 0.00 H ATOM 35 HE1 TYR A 2 -9.804 -1.034 -11.189 1.00 0.00 H ATOM 36 HE2 TYR A 2 -5.868 -1.574 -12.854 1.00 0.00 H ATOM 37 HH TYR A 2 -7.747 -2.654 -13.632 1.00 0.00 H ATOM 38 N SER A 3 -4.764 0.317 -6.466 1.00 0.00 N ATOM 39 CA SER A 3 -3.704 0.359 -5.474 1.00 0.00 C ATOM 40 C SER A 3 -2.399 0.725 -6.175 1.00 0.00 C ATOM 41 O SER A 3 -1.768 -0.129 -6.797 1.00 0.00 O ATOM 42 CB SER A 3 -3.618 -1.011 -4.790 1.00 0.00 C ATOM 43 OG SER A 3 -4.834 -1.274 -4.122 1.00 0.00 O ATOM 44 H SER A 3 -4.843 -0.531 -7.011 1.00 0.00 H ATOM 45 HA SER A 3 -3.927 1.100 -4.704 1.00 0.00 H ATOM 46 1HB SER A 3 -3.441 -1.790 -5.532 1.00 0.00 H ATOM 47 2HB SER A 3 -2.802 -1.014 -4.066 1.00 0.00 H ATOM 48 HG SER A 3 -4.896 -2.215 -3.928 1.00 0.00 H ATOM 49 N CYS A 4 -2.015 2.005 -6.081 1.00 0.00 N ATOM 50 CA CYS A 4 -0.796 2.538 -6.672 1.00 0.00 C ATOM 51 C CYS A 4 0.285 2.647 -5.599 1.00 0.00 C ATOM 52 O CYS A 4 0.021 3.131 -4.500 1.00 0.00 O ATOM 53 CB CYS A 4 -1.068 3.886 -7.349 1.00 0.00 C ATOM 54 SG CYS A 4 -2.361 3.922 -8.632 1.00 0.00 S ATOM 55 H CYS A 4 -2.594 2.647 -5.560 1.00 0.00 H ATOM 56 HA CYS A 4 -0.429 1.862 -7.438 1.00 0.00 H ATOM 57 1HB CYS A 4 -1.331 4.624 -6.590 1.00 0.00 H ATOM 58 2HB CYS A 4 -0.139 4.207 -7.820 1.00 0.00 H ATOM 59 N HIS A 5 1.488 2.155 -5.919 1.00 0.00 N ATOM 60 CA HIS A 5 2.585 1.971 -4.981 1.00 0.00 C ATOM 61 C HIS A 5 3.911 2.355 -5.639 1.00 0.00 C ATOM 62 O HIS A 5 4.133 2.067 -6.816 1.00 0.00 O ATOM 63 CB HIS A 5 2.604 0.509 -4.515 1.00 0.00 C ATOM 64 CG HIS A 5 2.706 -0.484 -5.648 1.00 0.00 C ATOM 65 ND1 HIS A 5 1.578 -0.908 -6.352 1.00 0.00 N ATOM 66 CD2 HIS A 5 3.816 -1.074 -6.193 1.00 0.00 C ATOM 67 CE1 HIS A 5 2.053 -1.718 -7.301 1.00 0.00 C ATOM 68 NE2 HIS A 5 3.387 -1.855 -7.246 1.00 0.00 N ATOM 69 H HIS A 5 1.630 1.786 -6.851 1.00 0.00 H ATOM 70 HA HIS A 5 2.439 2.606 -4.106 1.00 0.00 H ATOM 71 1HB HIS A 5 3.447 0.361 -3.840 1.00 0.00 H ATOM 72 2HB HIS A 5 1.686 0.305 -3.961 1.00 0.00 H ATOM 73 HD2 HIS A 5 4.837 -0.931 -5.875 1.00 0.00 H ATOM 74 HE1 HIS A 5 1.431 -2.211 -8.034 1.00 0.00 H ATOM 75 HE2 HIS A 5 3.972 -2.406 -7.858 1.00 0.00 H ATOM 76 N PHE A 6 4.800 2.994 -4.870 1.00 0.00 N ATOM 77 CA PHE A 6 6.127 3.367 -5.332 1.00 0.00 C ATOM 78 C PHE A 6 7.078 2.184 -5.151 1.00 0.00 C ATOM 79 O PHE A 6 7.883 2.155 -4.222 1.00 0.00 O ATOM 80 CB PHE A 6 6.605 4.628 -4.602 1.00 0.00 C ATOM 81 CG PHE A 6 7.892 5.205 -5.162 1.00 0.00 C ATOM 82 CD1 PHE A 6 7.913 5.718 -6.471 1.00 0.00 C ATOM 83 CD2 PHE A 6 9.072 5.207 -4.395 1.00 0.00 C ATOM 84 CE1 PHE A 6 9.094 6.263 -7.001 1.00 0.00 C ATOM 85 CE2 PHE A 6 10.258 5.741 -4.929 1.00 0.00 C ATOM 86 CZ PHE A 6 10.267 6.277 -6.229 1.00 0.00 C ATOM 87 H PHE A 6 4.560 3.200 -3.911 1.00 0.00 H ATOM 88 HA PHE A 6 6.081 3.607 -6.392 1.00 0.00 H ATOM 89 1HB PHE A 6 5.836 5.394 -4.699 1.00 0.00 H ATOM 90 2HB PHE A 6 6.721 4.412 -3.539 1.00 0.00 H ATOM 91 HD1 PHE A 6 7.023 5.687 -7.077 1.00 0.00 H ATOM 92 HD2 PHE A 6 9.076 4.791 -3.398 1.00 0.00 H ATOM 93 HE1 PHE A 6 9.098 6.662 -8.004 1.00 0.00 H ATOM 94 HE2 PHE A 6 11.164 5.736 -4.341 1.00 0.00 H ATOM 95 HZ PHE A 6 11.180 6.685 -6.638 1.00 0.00 H ATOM 96 N GLY A 7 6.973 1.205 -6.053 1.00 0.00 N ATOM 97 CA GLY A 7 7.864 0.061 -6.103 1.00 0.00 C ATOM 98 C GLY A 7 7.631 -0.719 -7.400 1.00 0.00 C ATOM 99 O GLY A 7 6.609 -0.502 -8.048 1.00 0.00 O ATOM 100 H GLY A 7 6.288 1.288 -6.793 1.00 0.00 H ATOM 101 1HA GLY A 7 8.877 0.449 -6.047 1.00 0.00 H ATOM 102 2HA GLY A 7 7.676 -0.590 -5.248 1.00 0.00 H ATOM 103 N PRO A 8 8.531 -1.638 -7.796 1.00 0.00 N ATOM 104 CA PRO A 8 9.760 -2.030 -7.110 1.00 0.00 C ATOM 105 C PRO A 8 10.772 -0.891 -6.960 1.00 0.00 C ATOM 106 O PRO A 8 11.460 -0.819 -5.944 1.00 0.00 O ATOM 107 CB PRO A 8 10.358 -3.167 -7.948 1.00 0.00 C ATOM 108 CG PRO A 8 9.150 -3.746 -8.680 1.00 0.00 C ATOM 109 CD PRO A 8 8.305 -2.503 -8.942 1.00 0.00 C ATOM 110 HA PRO A 8 9.495 -2.420 -6.126 1.00 0.00 H ATOM 111 1HB PRO A 8 11.053 -2.767 -8.688 1.00 0.00 H ATOM 112 2HB PRO A 8 10.861 -3.912 -7.330 1.00 0.00 H ATOM 113 1HG PRO A 8 9.428 -4.263 -9.599 1.00 0.00 H ATOM 114 2HG PRO A 8 8.611 -4.420 -8.013 1.00 0.00 H ATOM 115 1HD PRO A 8 8.652 -1.998 -9.844 1.00 0.00 H ATOM 116 2HD PRO A 8 7.256 -2.782 -9.052 1.00 0.00 H ATOM 117 N LEU A 9 10.836 0.000 -7.959 1.00 0.00 N ATOM 118 CA LEU A 9 11.665 1.199 -7.950 1.00 0.00 C ATOM 119 C LEU A 9 10.784 2.427 -8.182 1.00 0.00 C ATOM 120 O LEU A 9 10.792 3.353 -7.374 1.00 0.00 O ATOM 121 CB LEU A 9 12.758 1.063 -9.021 1.00 0.00 C ATOM 122 CG LEU A 9 13.667 2.299 -9.149 1.00 0.00 C ATOM 123 CD1 LEU A 9 14.437 2.586 -7.854 1.00 0.00 C ATOM 124 CD2 LEU A 9 14.665 2.069 -10.290 1.00 0.00 C ATOM 125 H LEU A 9 10.238 -0.139 -8.760 1.00 0.00 H ATOM 126 HA LEU A 9 12.143 1.307 -6.976 1.00 0.00 H ATOM 127 1HB LEU A 9 13.373 0.196 -8.780 1.00 0.00 H ATOM 128 2HB LEU A 9 12.282 0.883 -9.986 1.00 0.00 H ATOM 129 HG LEU A 9 13.070 3.175 -9.401 1.00 0.00 H ATOM 130 1HD1 LEU A 9 14.985 1.698 -7.538 1.00 0.00 H ATOM 131 2HD1 LEU A 9 15.144 3.399 -8.021 1.00 0.00 H ATOM 132 3HD1 LEU A 9 13.752 2.889 -7.062 1.00 0.00 H ATOM 133 1HD2 LEU A 9 14.127 1.891 -11.221 1.00 0.00 H ATOM 134 2HD2 LEU A 9 15.296 2.950 -10.413 1.00 0.00 H ATOM 135 3HD2 LEU A 9 15.294 1.206 -10.069 1.00 0.00 H ATOM 136 N THR A 10 10.035 2.429 -9.290 1.00 0.00 N ATOM 137 CA THR A 10 9.219 3.549 -9.737 1.00 0.00 C ATOM 138 C THR A 10 7.756 3.327 -9.344 1.00 0.00 C ATOM 139 O THR A 10 7.409 2.291 -8.779 1.00 0.00 O ATOM 140 CB THR A 10 9.365 3.682 -11.262 1.00 0.00 C ATOM 141 OG1 THR A 10 8.984 2.475 -11.892 1.00 0.00 O ATOM 142 CG2 THR A 10 10.807 4.017 -11.659 1.00 0.00 C ATOM 143 H THR A 10 10.071 1.628 -9.904 1.00 0.00 H ATOM 144 HA THR A 10 9.563 4.477 -9.279 1.00 0.00 H ATOM 145 HB THR A 10 8.724 4.486 -11.626 1.00 0.00 H ATOM 146 HG1 THR A 10 8.050 2.321 -11.731 1.00 0.00 H ATOM 147 1HG2 THR A 10 11.478 3.199 -11.396 1.00 0.00 H ATOM 148 2HG2 THR A 10 10.857 4.177 -12.736 1.00 0.00 H ATOM 149 3HG2 THR A 10 11.130 4.926 -11.151 1.00 0.00 H ATOM 150 N TRP A 11 6.890 4.294 -9.670 1.00 0.00 N ATOM 151 CA TRP A 11 5.453 4.148 -9.506 1.00 0.00 C ATOM 152 C TRP A 11 4.923 3.056 -10.434 1.00 0.00 C ATOM 153 O TRP A 11 5.075 3.147 -11.651 1.00 0.00 O ATOM 154 CB TRP A 11 4.747 5.482 -9.769 1.00 0.00 C ATOM 155 CG TRP A 11 4.856 6.469 -8.650 1.00 0.00 C ATOM 156 CD1 TRP A 11 5.631 7.577 -8.637 1.00 0.00 C ATOM 157 CD2 TRP A 11 4.195 6.429 -7.351 1.00 0.00 C ATOM 158 NE1 TRP A 11 5.505 8.221 -7.423 1.00 0.00 N ATOM 159 CE2 TRP A 11 4.631 7.552 -6.589 1.00 0.00 C ATOM 160 CE3 TRP A 11 3.273 5.553 -6.736 1.00 0.00 C ATOM 161 CZ2 TRP A 11 4.179 7.792 -5.283 1.00 0.00 C ATOM 162 CZ3 TRP A 11 2.812 5.786 -5.427 1.00 0.00 C ATOM 163 CH2 TRP A 11 3.265 6.900 -4.700 1.00 0.00 C ATOM 164 H TRP A 11 7.229 5.130 -10.121 1.00 0.00 H ATOM 165 HA TRP A 11 5.247 3.865 -8.476 1.00 0.00 H ATOM 166 1HB TRP A 11 5.125 5.922 -10.693 1.00 0.00 H ATOM 167 2HB TRP A 11 3.683 5.283 -9.906 1.00 0.00 H ATOM 168 HD1 TRP A 11 6.269 7.900 -9.446 1.00 0.00 H ATOM 169 HE1 TRP A 11 5.984 9.070 -7.156 1.00 0.00 H ATOM 170 HE3 TRP A 11 2.913 4.694 -7.282 1.00 0.00 H ATOM 171 HZ2 TRP A 11 4.531 8.652 -4.732 1.00 0.00 H ATOM 172 HZ3 TRP A 11 2.103 5.106 -4.979 1.00 0.00 H ATOM 173 HH2 TRP A 11 2.908 7.071 -3.695 1.00 0.00 H ATOM 174 N VAL A 12 4.290 2.039 -9.840 1.00 0.00 N ATOM 175 CA VAL A 12 3.542 0.996 -10.527 1.00 0.00 C ATOM 176 C VAL A 12 2.182 0.914 -9.834 1.00 0.00 C ATOM 177 O VAL A 12 2.081 1.218 -8.646 1.00 0.00 O ATOM 178 CB VAL A 12 4.311 -0.336 -10.464 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.530 -1.480 -11.123 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.677 -0.215 -11.156 1.00 0.00 C ATOM 181 H VAL A 12 4.223 2.039 -8.829 1.00 0.00 H ATOM 182 HA VAL A 12 3.384 1.270 -11.571 1.00 0.00 H ATOM 183 HB VAL A 12 4.473 -0.598 -9.420 1.00 0.00 H ATOM 184 1HG1 VAL A 12 3.272 -1.216 -12.149 1.00 0.00 H ATOM 185 2HG1 VAL A 12 4.139 -2.384 -11.132 1.00 0.00 H ATOM 186 3HG1 VAL A 12 2.619 -1.695 -10.564 1.00 0.00 H ATOM 187 1HG2 VAL A 12 5.542 0.081 -12.197 1.00 0.00 H ATOM 188 2HG2 VAL A 12 6.300 0.523 -10.653 1.00 0.00 H ATOM 189 3HG2 VAL A 12 6.193 -1.174 -11.123 1.00 0.00 H ATOM 190 N CYS A 13 1.130 0.543 -10.574 1.00 0.00 N ATOM 191 CA CYS A 13 -0.220 0.488 -10.037 1.00 0.00 C ATOM 192 C CYS A 13 -0.968 -0.733 -10.561 1.00 0.00 C ATOM 193 O CYS A 13 -0.756 -1.158 -11.696 1.00 0.00 O ATOM 194 CB CYS A 13 -0.946 1.806 -10.329 1.00 0.00 C ATOM 195 SG CYS A 13 -2.473 2.024 -9.383 1.00 0.00 S ATOM 196 H CYS A 13 1.261 0.292 -11.544 1.00 0.00 H ATOM 197 HA CYS A 13 -0.156 0.357 -8.959 1.00 0.00 H ATOM 198 1HB CYS A 13 -0.278 2.627 -10.064 1.00 0.00 H ATOM 199 2HB CYS A 13 -1.170 1.880 -11.394 1.00 0.00 H ATOM 200 N LYS A 14 -1.814 -1.305 -9.697 1.00 0.00 N ATOM 201 CA LYS A 14 -2.556 -2.535 -9.927 1.00 0.00 C ATOM 202 C LYS A 14 -3.974 -2.378 -9.354 1.00 0.00 C ATOM 203 O LYS A 14 -4.230 -1.390 -8.666 1.00 0.00 O ATOM 204 CB LYS A 14 -1.775 -3.697 -9.288 1.00 0.00 C ATOM 205 CG LYS A 14 -1.634 -3.556 -7.764 1.00 0.00 C ATOM 206 CD LYS A 14 -0.823 -4.700 -7.142 1.00 0.00 C ATOM 207 CE LYS A 14 -1.565 -6.041 -7.201 1.00 0.00 C ATOM 208 NZ LYS A 14 -0.841 -7.083 -6.456 1.00 0.00 N ATOM 209 H LYS A 14 -1.939 -0.871 -8.790 1.00 0.00 H ATOM 210 HA LYS A 14 -2.630 -2.707 -11.000 1.00 0.00 H ATOM 211 1HB LYS A 14 -2.267 -4.635 -9.524 1.00 0.00 H ATOM 212 2HB LYS A 14 -0.777 -3.726 -9.729 1.00 0.00 H ATOM 213 1HG LYS A 14 -1.114 -2.625 -7.537 1.00 0.00 H ATOM 214 2HG LYS A 14 -2.617 -3.525 -7.294 1.00 0.00 H ATOM 215 1HD LYS A 14 0.139 -4.787 -7.649 1.00 0.00 H ATOM 216 2HD LYS A 14 -0.641 -4.452 -6.095 1.00 0.00 H ATOM 217 1HE LYS A 14 -2.558 -5.929 -6.764 1.00 0.00 H ATOM 218 2HE LYS A 14 -1.664 -6.372 -8.234 1.00 0.00 H ATOM 219 1HZ LYS A 14 -0.751 -6.806 -5.488 1.00 0.00 H ATOM 220 2HZ LYS A 14 -1.352 -7.953 -6.510 1.00 0.00 H ATOM 221 3HZ LYS A 14 0.078 -7.208 -6.856 1.00 0.00 H ATOM 222 N PRO A 15 -4.905 -3.317 -9.608 1.00 0.00 N ATOM 223 CA PRO A 15 -6.257 -3.273 -9.063 1.00 0.00 C ATOM 224 C PRO A 15 -6.302 -3.182 -7.535 1.00 0.00 C ATOM 225 O PRO A 15 -5.295 -3.384 -6.857 1.00 0.00 O ATOM 226 CB PRO A 15 -6.954 -4.539 -9.569 1.00 0.00 C ATOM 227 CG PRO A 15 -6.216 -4.834 -10.872 1.00 0.00 C ATOM 228 CD PRO A 15 -4.782 -4.440 -10.526 1.00 0.00 C ATOM 229 HA PRO A 15 -6.765 -2.407 -9.484 1.00 0.00 H ATOM 230 1HB PRO A 15 -6.784 -5.362 -8.872 1.00 0.00 H ATOM 231 2HB PRO A 15 -8.023 -4.390 -9.723 1.00 0.00 H ATOM 232 1HG PRO A 15 -6.300 -5.880 -11.170 1.00 0.00 H ATOM 233 2HG PRO A 15 -6.596 -4.184 -11.661 1.00 0.00 H ATOM 234 1HD PRO A 15 -4.311 -5.280 -10.016 1.00 0.00 H ATOM 235 2HD PRO A 15 -4.238 -4.190 -11.436 1.00 0.00 H ATOM 236 N GLN A 16 -7.491 -2.871 -7.005 1.00 0.00 N ATOM 237 CA GLN A 16 -7.725 -2.644 -5.586 1.00 0.00 C ATOM 238 C GLN A 16 -7.244 -3.827 -4.740 1.00 0.00 C ATOM 239 O GLN A 16 -6.434 -3.655 -3.831 1.00 0.00 O ATOM 240 CB GLN A 16 -9.217 -2.357 -5.369 1.00 0.00 C ATOM 241 CG GLN A 16 -9.508 -1.925 -3.927 1.00 0.00 C ATOM 242 CD GLN A 16 -10.933 -1.395 -3.792 1.00 0.00 C ATOM 243 OE1 GLN A 16 -11.142 -0.194 -3.643 1.00 0.00 O ATOM 244 NE2 GLN A 16 -11.920 -2.291 -3.849 1.00 0.00 N ATOM 245 H GLN A 16 -8.270 -2.729 -7.631 1.00 0.00 H ATOM 246 HA GLN A 16 -7.165 -1.755 -5.299 1.00 0.00 H ATOM 247 1HB GLN A 16 -9.514 -1.552 -6.039 1.00 0.00 H ATOM 248 2HB GLN A 16 -9.809 -3.241 -5.613 1.00 0.00 H ATOM 249 1HG GLN A 16 -9.372 -2.769 -3.250 1.00 0.00 H ATOM 250 2HG GLN A 16 -8.814 -1.136 -3.637 1.00 0.00 H ATOM 251 1HE2 GLN A 16 -11.709 -3.270 -3.974 1.00 0.00 H ATOM 252 2HE2 GLN A 16 -12.878 -1.981 -3.765 1.00 0.00 H HETATM 253 N NH2 A 17 -7.737 -5.031 -5.038 1.00 0.00 N HETATM 254 1HN NH2 A 17 -7.441 -5.838 -4.508 1.00 0.00 H HETATM 255 2HN NH2 A 17 -8.392 -5.132 -5.799 1.00 0.00 H TER 256 NH2 A 17 ENDMDL MODEL 4 ATOM 1 N THR A 1 -8.320 -3.115 -5.253 1.00 0.00 N ATOM 2 CA THR A 1 -8.088 -3.503 -6.656 1.00 0.00 C ATOM 3 C THR A 1 -6.945 -2.690 -7.265 1.00 0.00 C ATOM 4 O THR A 1 -5.803 -3.148 -7.271 1.00 0.00 O ATOM 5 CB THR A 1 -9.381 -3.409 -7.485 1.00 0.00 C ATOM 6 OG1 THR A 1 -9.987 -2.144 -7.307 1.00 0.00 O ATOM 7 CG2 THR A 1 -10.378 -4.500 -7.085 1.00 0.00 C ATOM 8 1H THR A 1 -9.015 -3.721 -4.843 1.00 0.00 H ATOM 9 2H THR A 1 -7.457 -3.191 -4.735 1.00 0.00 H ATOM 10 3H THR A 1 -8.649 -2.160 -5.226 1.00 0.00 H ATOM 11 HA THR A 1 -7.769 -4.545 -6.659 1.00 0.00 H ATOM 12 HB THR A 1 -9.141 -3.541 -8.541 1.00 0.00 H ATOM 13 HG1 THR A 1 -10.794 -2.114 -7.827 1.00 0.00 H ATOM 14 1HG2 THR A 1 -10.681 -4.377 -6.045 1.00 0.00 H ATOM 15 2HG2 THR A 1 -11.263 -4.436 -7.719 1.00 0.00 H ATOM 16 3HG2 THR A 1 -9.925 -5.484 -7.213 1.00 0.00 H ATOM 17 N TYR A 2 -7.247 -1.488 -7.768 1.00 0.00 N ATOM 18 CA TYR A 2 -6.284 -0.608 -8.415 1.00 0.00 C ATOM 19 C TYR A 2 -5.348 -0.020 -7.360 1.00 0.00 C ATOM 20 O TYR A 2 -5.605 1.050 -6.812 1.00 0.00 O ATOM 21 CB TYR A 2 -7.014 0.461 -9.237 1.00 0.00 C ATOM 22 CG TYR A 2 -7.593 -0.078 -10.533 1.00 0.00 C ATOM 23 CD1 TYR A 2 -8.731 -0.906 -10.512 1.00 0.00 C ATOM 24 CD2 TYR A 2 -6.925 0.153 -11.752 1.00 0.00 C ATOM 25 CE1 TYR A 2 -9.174 -1.531 -11.689 1.00 0.00 C ATOM 26 CE2 TYR A 2 -7.386 -0.450 -12.935 1.00 0.00 C ATOM 27 CZ TYR A 2 -8.498 -1.309 -12.900 1.00 0.00 C ATOM 28 OH TYR A 2 -8.923 -1.927 -14.040 1.00 0.00 O ATOM 29 H TYR A 2 -8.207 -1.178 -7.707 1.00 0.00 H ATOM 30 HA TYR A 2 -5.684 -1.190 -9.113 1.00 0.00 H ATOM 31 1HB TYR A 2 -7.810 0.906 -8.638 1.00 0.00 H ATOM 32 2HB TYR A 2 -6.302 1.252 -9.482 1.00 0.00 H ATOM 33 HD1 TYR A 2 -9.263 -1.077 -9.590 1.00 0.00 H ATOM 34 HD2 TYR A 2 -6.045 0.779 -11.782 1.00 0.00 H ATOM 35 HE1 TYR A 2 -10.035 -2.183 -11.662 1.00 0.00 H ATOM 36 HE2 TYR A 2 -6.871 -0.263 -13.866 1.00 0.00 H ATOM 37 HH TYR A 2 -8.396 -1.705 -14.811 1.00 0.00 H ATOM 38 N SER A 3 -4.269 -0.755 -7.077 1.00 0.00 N ATOM 39 CA SER A 3 -3.360 -0.501 -5.974 1.00 0.00 C ATOM 40 C SER A 3 -2.130 0.230 -6.506 1.00 0.00 C ATOM 41 O SER A 3 -1.227 -0.395 -7.058 1.00 0.00 O ATOM 42 CB SER A 3 -2.993 -1.835 -5.313 1.00 0.00 C ATOM 43 OG SER A 3 -4.162 -2.504 -4.884 1.00 0.00 O ATOM 44 H SER A 3 -4.141 -1.619 -7.590 1.00 0.00 H ATOM 45 HA SER A 3 -3.851 0.112 -5.215 1.00 0.00 H ATOM 46 1HB SER A 3 -2.463 -2.474 -6.019 1.00 0.00 H ATOM 47 2HB SER A 3 -2.350 -1.650 -4.452 1.00 0.00 H ATOM 48 HG SER A 3 -4.713 -2.686 -5.652 1.00 0.00 H ATOM 49 N CYS A 4 -2.113 1.556 -6.331 1.00 0.00 N ATOM 50 CA CYS A 4 -1.077 2.454 -6.818 1.00 0.00 C ATOM 51 C CYS A 4 -0.113 2.769 -5.678 1.00 0.00 C ATOM 52 O CYS A 4 -0.504 3.374 -4.681 1.00 0.00 O ATOM 53 CB CYS A 4 -1.731 3.715 -7.384 1.00 0.00 C ATOM 54 SG CYS A 4 -2.657 3.503 -8.931 1.00 0.00 S ATOM 55 H CYS A 4 -2.897 1.982 -5.857 1.00 0.00 H ATOM 56 HA CYS A 4 -0.508 2.001 -7.620 1.00 0.00 H ATOM 57 1HB CYS A 4 -2.413 4.120 -6.636 1.00 0.00 H ATOM 58 2HB CYS A 4 -0.963 4.460 -7.572 1.00 0.00 H ATOM 59 N HIS A 5 1.135 2.313 -5.828 1.00 0.00 N ATOM 60 CA HIS A 5 2.176 2.368 -4.813 1.00 0.00 C ATOM 61 C HIS A 5 3.521 2.712 -5.454 1.00 0.00 C ATOM 62 O HIS A 5 3.659 2.669 -6.676 1.00 0.00 O ATOM 63 CB HIS A 5 2.259 1.003 -4.117 1.00 0.00 C ATOM 64 CG HIS A 5 2.717 -0.099 -5.043 1.00 0.00 C ATOM 65 ND1 HIS A 5 4.062 -0.452 -5.146 1.00 0.00 N ATOM 66 CD2 HIS A 5 1.992 -0.853 -5.929 1.00 0.00 C ATOM 67 CE1 HIS A 5 4.096 -1.396 -6.091 1.00 0.00 C ATOM 68 NE2 HIS A 5 2.882 -1.669 -6.595 1.00 0.00 N ATOM 69 H HIS A 5 1.381 1.851 -6.695 1.00 0.00 H ATOM 70 HA HIS A 5 1.940 3.133 -4.071 1.00 0.00 H ATOM 71 1HB HIS A 5 2.957 1.068 -3.282 1.00 0.00 H ATOM 72 2HB HIS A 5 1.278 0.744 -3.717 1.00 0.00 H ATOM 73 HD2 HIS A 5 0.928 -0.792 -6.099 1.00 0.00 H ATOM 74 HE1 HIS A 5 5.001 -1.891 -6.411 1.00 0.00 H ATOM 75 HE2 HIS A 5 2.659 -2.337 -7.318 1.00 0.00 H ATOM 76 N PHE A 6 4.520 3.004 -4.612 1.00 0.00 N ATOM 77 CA PHE A 6 5.904 3.135 -5.034 1.00 0.00 C ATOM 78 C PHE A 6 6.595 1.783 -4.868 1.00 0.00 C ATOM 79 O PHE A 6 6.702 1.285 -3.748 1.00 0.00 O ATOM 80 CB PHE A 6 6.629 4.209 -4.218 1.00 0.00 C ATOM 81 CG PHE A 6 8.076 4.373 -4.644 1.00 0.00 C ATOM 82 CD1 PHE A 6 8.375 4.967 -5.885 1.00 0.00 C ATOM 83 CD2 PHE A 6 9.104 3.774 -3.891 1.00 0.00 C ATOM 84 CE1 PHE A 6 9.700 4.992 -6.354 1.00 0.00 C ATOM 85 CE2 PHE A 6 10.428 3.798 -4.362 1.00 0.00 C ATOM 86 CZ PHE A 6 10.727 4.413 -5.589 1.00 0.00 C ATOM 87 H PHE A 6 4.333 3.009 -3.620 1.00 0.00 H ATOM 88 HA PHE A 6 5.948 3.440 -6.077 1.00 0.00 H ATOM 89 1HB PHE A 6 6.121 5.164 -4.343 1.00 0.00 H ATOM 90 2HB PHE A 6 6.586 3.947 -3.160 1.00 0.00 H ATOM 91 HD1 PHE A 6 7.587 5.394 -6.488 1.00 0.00 H ATOM 92 HD2 PHE A 6 8.880 3.275 -2.960 1.00 0.00 H ATOM 93 HE1 PHE A 6 9.929 5.452 -7.303 1.00 0.00 H ATOM 94 HE2 PHE A 6 11.216 3.336 -3.784 1.00 0.00 H ATOM 95 HZ PHE A 6 11.746 4.436 -5.946 1.00 0.00 H ATOM 96 N GLY A 7 7.083 1.208 -5.971 1.00 0.00 N ATOM 97 CA GLY A 7 7.868 -0.012 -5.946 1.00 0.00 C ATOM 98 C GLY A 7 7.797 -0.724 -7.298 1.00 0.00 C ATOM 99 O GLY A 7 6.793 -0.594 -7.996 1.00 0.00 O ATOM 100 H GLY A 7 6.963 1.662 -6.868 1.00 0.00 H ATOM 101 1HA GLY A 7 8.887 0.274 -5.695 1.00 0.00 H ATOM 102 2HA GLY A 7 7.491 -0.694 -5.183 1.00 0.00 H ATOM 103 N PRO A 8 8.826 -1.499 -7.678 1.00 0.00 N ATOM 104 CA PRO A 8 10.047 -1.739 -6.921 1.00 0.00 C ATOM 105 C PRO A 8 11.018 -0.559 -7.044 1.00 0.00 C ATOM 106 O PRO A 8 11.570 -0.113 -6.040 1.00 0.00 O ATOM 107 CB PRO A 8 10.634 -3.023 -7.513 1.00 0.00 C ATOM 108 CG PRO A 8 10.149 -3.018 -8.964 1.00 0.00 C ATOM 109 CD PRO A 8 8.794 -2.312 -8.883 1.00 0.00 C ATOM 110 HA PRO A 8 9.822 -1.915 -5.868 1.00 0.00 H ATOM 111 1HB PRO A 8 11.721 -3.066 -7.439 1.00 0.00 H ATOM 112 2HB PRO A 8 10.195 -3.881 -7.001 1.00 0.00 H ATOM 113 1HG PRO A 8 10.836 -2.439 -9.582 1.00 0.00 H ATOM 114 2HG PRO A 8 10.059 -4.028 -9.366 1.00 0.00 H ATOM 115 1HD PRO A 8 8.625 -1.701 -9.771 1.00 0.00 H ATOM 116 2HD PRO A 8 8.000 -3.055 -8.789 1.00 0.00 H ATOM 117 N LEU A 9 11.217 -0.060 -8.271 1.00 0.00 N ATOM 118 CA LEU A 9 12.127 1.031 -8.597 1.00 0.00 C ATOM 119 C LEU A 9 11.339 2.315 -8.863 1.00 0.00 C ATOM 120 O LEU A 9 11.753 3.391 -8.436 1.00 0.00 O ATOM 121 CB LEU A 9 12.962 0.623 -9.820 1.00 0.00 C ATOM 122 CG LEU A 9 13.969 1.689 -10.287 1.00 0.00 C ATOM 123 CD1 LEU A 9 15.018 2.003 -9.214 1.00 0.00 C ATOM 124 CD2 LEU A 9 14.674 1.188 -11.552 1.00 0.00 C ATOM 125 H LEU A 9 10.708 -0.473 -9.038 1.00 0.00 H ATOM 126 HA LEU A 9 12.802 1.203 -7.759 1.00 0.00 H ATOM 127 1HB LEU A 9 13.506 -0.291 -9.578 1.00 0.00 H ATOM 128 2HB LEU A 9 12.282 0.405 -10.645 1.00 0.00 H ATOM 129 HG LEU A 9 13.444 2.610 -10.543 1.00 0.00 H ATOM 130 1HD1 LEU A 9 15.508 1.085 -8.889 1.00 0.00 H ATOM 131 2HD1 LEU A 9 15.769 2.680 -9.622 1.00 0.00 H ATOM 132 3HD1 LEU A 9 14.554 2.488 -8.356 1.00 0.00 H ATOM 133 1HD2 LEU A 9 13.939 0.989 -12.332 1.00 0.00 H ATOM 134 2HD2 LEU A 9 15.370 1.947 -11.913 1.00 0.00 H ATOM 135 3HD2 LEU A 9 15.225 0.272 -11.336 1.00 0.00 H ATOM 136 N THR A 10 10.222 2.198 -9.592 1.00 0.00 N ATOM 137 CA THR A 10 9.370 3.305 -10.006 1.00 0.00 C ATOM 138 C THR A 10 7.983 3.158 -9.373 1.00 0.00 C ATOM 139 O THR A 10 7.724 2.201 -8.644 1.00 0.00 O ATOM 140 CB THR A 10 9.288 3.332 -11.542 1.00 0.00 C ATOM 141 OG1 THR A 10 8.754 2.117 -12.028 1.00 0.00 O ATOM 142 CG2 THR A 10 10.662 3.570 -12.177 1.00 0.00 C ATOM 143 H THR A 10 9.935 1.276 -9.885 1.00 0.00 H ATOM 144 HA THR A 10 9.785 4.257 -9.672 1.00 0.00 H ATOM 145 HB THR A 10 8.632 4.145 -11.856 1.00 0.00 H ATOM 146 HG1 THR A 10 9.376 1.410 -11.845 1.00 0.00 H ATOM 147 1HG2 THR A 10 11.333 2.737 -11.967 1.00 0.00 H ATOM 148 2HG2 THR A 10 10.549 3.665 -13.257 1.00 0.00 H ATOM 149 3HG2 THR A 10 11.096 4.490 -11.785 1.00 0.00 H ATOM 150 N TRP A 11 7.084 4.105 -9.666 1.00 0.00 N ATOM 151 CA TRP A 11 5.690 4.020 -9.264 1.00 0.00 C ATOM 152 C TRP A 11 4.956 3.016 -10.154 1.00 0.00 C ATOM 153 O TRP A 11 5.154 3.015 -11.368 1.00 0.00 O ATOM 154 CB TRP A 11 5.039 5.402 -9.339 1.00 0.00 C ATOM 155 CG TRP A 11 3.665 5.464 -8.749 1.00 0.00 C ATOM 156 CD1 TRP A 11 2.510 5.221 -9.407 1.00 0.00 C ATOM 157 CD2 TRP A 11 3.285 5.744 -7.370 1.00 0.00 C ATOM 158 NE1 TRP A 11 1.443 5.341 -8.542 1.00 0.00 N ATOM 159 CE2 TRP A 11 1.867 5.657 -7.265 1.00 0.00 C ATOM 160 CE3 TRP A 11 3.998 6.066 -6.195 1.00 0.00 C ATOM 161 CZ2 TRP A 11 1.191 5.882 -6.056 1.00 0.00 C ATOM 162 CZ3 TRP A 11 3.332 6.268 -4.972 1.00 0.00 C ATOM 163 CH2 TRP A 11 1.932 6.174 -4.900 1.00 0.00 C ATOM 164 H TRP A 11 7.352 4.872 -10.264 1.00 0.00 H ATOM 165 HA TRP A 11 5.646 3.687 -8.230 1.00 0.00 H ATOM 166 1HB TRP A 11 5.665 6.110 -8.794 1.00 0.00 H ATOM 167 2HB TRP A 11 4.995 5.725 -10.381 1.00 0.00 H ATOM 168 HD1 TRP A 11 2.432 4.964 -10.453 1.00 0.00 H ATOM 169 HE1 TRP A 11 0.474 5.218 -8.793 1.00 0.00 H ATOM 170 HE3 TRP A 11 5.072 6.156 -6.240 1.00 0.00 H ATOM 171 HZ2 TRP A 11 0.114 5.832 -6.007 1.00 0.00 H ATOM 172 HZ3 TRP A 11 3.899 6.504 -4.084 1.00 0.00 H ATOM 173 HH2 TRP A 11 1.425 6.334 -3.959 1.00 0.00 H ATOM 174 N VAL A 12 4.122 2.163 -9.546 1.00 0.00 N ATOM 175 CA VAL A 12 3.388 1.109 -10.233 1.00 0.00 C ATOM 176 C VAL A 12 1.963 1.043 -9.681 1.00 0.00 C ATOM 177 O VAL A 12 1.764 1.085 -8.468 1.00 0.00 O ATOM 178 CB VAL A 12 4.123 -0.236 -10.064 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.299 -1.405 -10.622 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.479 -0.218 -10.784 1.00 0.00 C ATOM 181 H VAL A 12 3.991 2.237 -8.545 1.00 0.00 H ATOM 182 HA VAL A 12 3.326 1.335 -11.299 1.00 0.00 H ATOM 183 HB VAL A 12 4.290 -0.418 -9.002 1.00 0.00 H ATOM 184 1HG1 VAL A 12 3.041 -1.219 -11.665 1.00 0.00 H ATOM 185 2HG1 VAL A 12 3.878 -2.327 -10.558 1.00 0.00 H ATOM 186 3HG1 VAL A 12 2.386 -1.540 -10.042 1.00 0.00 H ATOM 187 1HG2 VAL A 12 5.338 -0.006 -11.844 1.00 0.00 H ATOM 188 2HG2 VAL A 12 6.135 0.538 -10.354 1.00 0.00 H ATOM 189 3HG2 VAL A 12 5.965 -1.188 -10.679 1.00 0.00 H ATOM 190 N CYS A 13 0.986 0.905 -10.587 1.00 0.00 N ATOM 191 CA CYS A 13 -0.406 0.615 -10.279 1.00 0.00 C ATOM 192 C CYS A 13 -0.713 -0.817 -10.709 1.00 0.00 C ATOM 193 O CYS A 13 -0.539 -1.160 -11.877 1.00 0.00 O ATOM 194 CB CYS A 13 -1.329 1.614 -10.982 1.00 0.00 C ATOM 195 SG CYS A 13 -1.250 3.337 -10.411 1.00 0.00 S ATOM 196 H CYS A 13 1.242 0.881 -11.564 1.00 0.00 H ATOM 197 HA CYS A 13 -0.588 0.685 -9.215 1.00 0.00 H ATOM 198 1HB CYS A 13 -1.086 1.609 -12.045 1.00 0.00 H ATOM 199 2HB CYS A 13 -2.361 1.278 -10.876 1.00 0.00 H ATOM 200 N LYS A 14 -1.169 -1.642 -9.758 1.00 0.00 N ATOM 201 CA LYS A 14 -1.556 -3.025 -9.985 1.00 0.00 C ATOM 202 C LYS A 14 -3.085 -3.065 -10.098 1.00 0.00 C ATOM 203 O LYS A 14 -3.754 -2.850 -9.088 1.00 0.00 O ATOM 204 CB LYS A 14 -1.070 -3.891 -8.813 1.00 0.00 C ATOM 205 CG LYS A 14 0.452 -3.853 -8.607 1.00 0.00 C ATOM 206 CD LYS A 14 1.275 -4.351 -9.806 1.00 0.00 C ATOM 207 CE LYS A 14 0.904 -5.763 -10.277 1.00 0.00 C ATOM 208 NZ LYS A 14 1.009 -6.753 -9.191 1.00 0.00 N ATOM 209 H LYS A 14 -1.275 -1.283 -8.818 1.00 0.00 H ATOM 210 HA LYS A 14 -1.084 -3.402 -10.888 1.00 0.00 H ATOM 211 1HB LYS A 14 -1.532 -3.536 -7.892 1.00 0.00 H ATOM 212 2HB LYS A 14 -1.389 -4.921 -8.968 1.00 0.00 H ATOM 213 1HG LYS A 14 0.754 -2.830 -8.382 1.00 0.00 H ATOM 214 2HG LYS A 14 0.691 -4.463 -7.735 1.00 0.00 H ATOM 215 1HD LYS A 14 1.160 -3.662 -10.643 1.00 0.00 H ATOM 216 2HD LYS A 14 2.327 -4.350 -9.517 1.00 0.00 H ATOM 217 1HE LYS A 14 -0.109 -5.775 -10.677 1.00 0.00 H ATOM 218 2HE LYS A 14 1.588 -6.054 -11.075 1.00 0.00 H ATOM 219 1HZ LYS A 14 1.950 -6.754 -8.824 1.00 0.00 H ATOM 220 2HZ LYS A 14 0.360 -6.518 -8.454 1.00 0.00 H ATOM 221 3HZ LYS A 14 0.789 -7.671 -9.550 1.00 0.00 H ATOM 222 N PRO A 15 -3.657 -3.305 -11.294 1.00 0.00 N ATOM 223 CA PRO A 15 -5.088 -3.170 -11.534 1.00 0.00 C ATOM 224 C PRO A 15 -5.886 -4.233 -10.777 1.00 0.00 C ATOM 225 O PRO A 15 -6.799 -3.886 -10.033 1.00 0.00 O ATOM 226 CB PRO A 15 -5.270 -3.255 -13.052 1.00 0.00 C ATOM 227 CG PRO A 15 -4.053 -4.043 -13.530 1.00 0.00 C ATOM 228 CD PRO A 15 -2.966 -3.653 -12.527 1.00 0.00 C ATOM 229 HA PRO A 15 -5.420 -2.186 -11.205 1.00 0.00 H ATOM 230 1HB PRO A 15 -6.212 -3.723 -13.343 1.00 0.00 H ATOM 231 2HB PRO A 15 -5.211 -2.250 -13.472 1.00 0.00 H ATOM 232 1HG PRO A 15 -4.255 -5.112 -13.462 1.00 0.00 H ATOM 233 2HG PRO A 15 -3.775 -3.787 -14.553 1.00 0.00 H ATOM 234 1HD PRO A 15 -2.286 -4.495 -12.391 1.00 0.00 H ATOM 235 2HD PRO A 15 -2.426 -2.782 -12.898 1.00 0.00 H ATOM 236 N GLN A 16 -5.516 -5.510 -10.956 1.00 0.00 N ATOM 237 CA GLN A 16 -5.997 -6.667 -10.208 1.00 0.00 C ATOM 238 C GLN A 16 -7.486 -6.953 -10.439 1.00 0.00 C ATOM 239 O GLN A 16 -7.831 -7.921 -11.111 1.00 0.00 O ATOM 240 CB GLN A 16 -5.629 -6.553 -8.719 1.00 0.00 C ATOM 241 CG GLN A 16 -4.106 -6.474 -8.544 1.00 0.00 C ATOM 242 CD GLN A 16 -3.702 -6.309 -7.082 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.221 -7.249 -6.456 1.00 0.00 O ATOM 244 NE2 GLN A 16 -3.882 -5.104 -6.540 1.00 0.00 N ATOM 245 H GLN A 16 -4.759 -5.686 -11.598 1.00 0.00 H ATOM 246 HA GLN A 16 -5.456 -7.531 -10.597 1.00 0.00 H ATOM 247 1HB GLN A 16 -6.094 -5.673 -8.277 1.00 0.00 H ATOM 248 2HB GLN A 16 -5.994 -7.437 -8.194 1.00 0.00 H ATOM 249 1HG GLN A 16 -3.654 -7.386 -8.936 1.00 0.00 H ATOM 250 2HG GLN A 16 -3.711 -5.627 -9.101 1.00 0.00 H ATOM 251 1HE2 GLN A 16 -4.299 -4.361 -7.088 1.00 0.00 H ATOM 252 2HE2 GLN A 16 -3.628 -4.941 -5.576 1.00 0.00 H HETATM 253 N NH2 A 17 -8.375 -6.134 -9.875 1.00 0.00 N HETATM 254 1HN NH2 A 17 -9.363 -6.298 -9.999 1.00 0.00 H HETATM 255 2HN NH2 A 17 -8.045 -5.319 -9.376 1.00 0.00 H TER 256 NH2 A 17 ENDMDL MODEL 5 ATOM 1 N THR A 1 -8.203 -2.093 -4.298 1.00 0.00 N ATOM 2 CA THR A 1 -8.432 -2.229 -5.747 1.00 0.00 C ATOM 3 C THR A 1 -7.385 -1.447 -6.542 1.00 0.00 C ATOM 4 O THR A 1 -6.397 -2.024 -6.991 1.00 0.00 O ATOM 5 CB THR A 1 -9.869 -1.835 -6.128 1.00 0.00 C ATOM 6 OG1 THR A 1 -10.189 -0.570 -5.585 1.00 0.00 O ATOM 7 CG2 THR A 1 -10.882 -2.865 -5.617 1.00 0.00 C ATOM 8 1H THR A 1 -8.351 -1.131 -4.030 1.00 0.00 H ATOM 9 2H THR A 1 -8.847 -2.685 -3.795 1.00 0.00 H ATOM 10 3H THR A 1 -7.254 -2.364 -4.081 1.00 0.00 H ATOM 11 HA THR A 1 -8.302 -3.279 -6.002 1.00 0.00 H ATOM 12 HB THR A 1 -9.952 -1.791 -7.216 1.00 0.00 H ATOM 13 HG1 THR A 1 -11.094 -0.353 -5.821 1.00 0.00 H ATOM 14 1HG2 THR A 1 -10.860 -2.915 -4.529 1.00 0.00 H ATOM 15 2HG2 THR A 1 -11.884 -2.580 -5.937 1.00 0.00 H ATOM 16 3HG2 THR A 1 -10.650 -3.849 -6.027 1.00 0.00 H ATOM 17 N TYR A 2 -7.590 -0.136 -6.702 1.00 0.00 N ATOM 18 CA TYR A 2 -6.691 0.744 -7.435 1.00 0.00 C ATOM 19 C TYR A 2 -5.520 1.120 -6.529 1.00 0.00 C ATOM 20 O TYR A 2 -5.455 2.229 -6.001 1.00 0.00 O ATOM 21 CB TYR A 2 -7.470 1.952 -7.971 1.00 0.00 C ATOM 22 CG TYR A 2 -8.457 1.577 -9.063 1.00 0.00 C ATOM 23 CD1 TYR A 2 -9.685 0.975 -8.727 1.00 0.00 C ATOM 24 CD2 TYR A 2 -8.082 1.679 -10.415 1.00 0.00 C ATOM 25 CE1 TYR A 2 -10.506 0.433 -9.730 1.00 0.00 C ATOM 26 CE2 TYR A 2 -8.911 1.152 -11.421 1.00 0.00 C ATOM 27 CZ TYR A 2 -10.110 0.504 -11.076 1.00 0.00 C ATOM 28 OH TYR A 2 -10.891 -0.057 -12.044 1.00 0.00 O ATOM 29 H TYR A 2 -8.421 0.267 -6.293 1.00 0.00 H ATOM 30 HA TYR A 2 -6.286 0.221 -8.300 1.00 0.00 H ATOM 31 1HB TYR A 2 -8.004 2.436 -7.151 1.00 0.00 H ATOM 32 2HB TYR A 2 -6.759 2.673 -8.378 1.00 0.00 H ATOM 33 HD1 TYR A 2 -9.987 0.897 -7.695 1.00 0.00 H ATOM 34 HD2 TYR A 2 -7.142 2.137 -10.687 1.00 0.00 H ATOM 35 HE1 TYR A 2 -11.435 -0.050 -9.464 1.00 0.00 H ATOM 36 HE2 TYR A 2 -8.615 1.233 -12.456 1.00 0.00 H ATOM 37 HH TYR A 2 -10.532 0.045 -12.928 1.00 0.00 H ATOM 38 N SER A 3 -4.604 0.163 -6.346 1.00 0.00 N ATOM 39 CA SER A 3 -3.510 0.233 -5.394 1.00 0.00 C ATOM 40 C SER A 3 -2.235 0.643 -6.128 1.00 0.00 C ATOM 41 O SER A 3 -1.592 -0.187 -6.772 1.00 0.00 O ATOM 42 CB SER A 3 -3.363 -1.128 -4.702 1.00 0.00 C ATOM 43 OG SER A 3 -3.256 -2.163 -5.657 1.00 0.00 O ATOM 44 H SER A 3 -4.733 -0.718 -6.833 1.00 0.00 H ATOM 45 HA SER A 3 -3.730 0.965 -4.616 1.00 0.00 H ATOM 46 1HB SER A 3 -2.477 -1.124 -4.067 1.00 0.00 H ATOM 47 2HB SER A 3 -4.241 -1.317 -4.083 1.00 0.00 H ATOM 48 HG SER A 3 -2.558 -1.928 -6.274 1.00 0.00 H ATOM 49 N CYS A 4 -1.891 1.933 -6.024 1.00 0.00 N ATOM 50 CA CYS A 4 -0.714 2.527 -6.638 1.00 0.00 C ATOM 51 C CYS A 4 0.390 2.653 -5.591 1.00 0.00 C ATOM 52 O CYS A 4 0.146 3.149 -4.492 1.00 0.00 O ATOM 53 CB CYS A 4 -1.068 3.880 -7.266 1.00 0.00 C ATOM 54 SG CYS A 4 -2.410 3.896 -8.498 1.00 0.00 S ATOM 55 H CYS A 4 -2.482 2.546 -5.481 1.00 0.00 H ATOM 56 HA CYS A 4 -0.345 1.885 -7.432 1.00 0.00 H ATOM 57 1HB CYS A 4 -1.333 4.585 -6.477 1.00 0.00 H ATOM 58 2HB CYS A 4 -0.171 4.254 -7.760 1.00 0.00 H ATOM 59 N HIS A 5 1.588 2.159 -5.927 1.00 0.00 N ATOM 60 CA HIS A 5 2.707 2.004 -5.010 1.00 0.00 C ATOM 61 C HIS A 5 4.015 2.375 -5.708 1.00 0.00 C ATOM 62 O HIS A 5 4.192 2.101 -6.895 1.00 0.00 O ATOM 63 CB HIS A 5 2.748 0.558 -4.500 1.00 0.00 C ATOM 64 CG HIS A 5 2.841 -0.468 -5.603 1.00 0.00 C ATOM 65 ND1 HIS A 5 4.067 -0.983 -6.023 1.00 0.00 N ATOM 66 CD2 HIS A 5 1.844 -1.019 -6.365 1.00 0.00 C ATOM 67 CE1 HIS A 5 3.762 -1.810 -7.026 1.00 0.00 C ATOM 68 NE2 HIS A 5 2.444 -1.864 -7.275 1.00 0.00 N ATOM 69 H HIS A 5 1.719 1.792 -6.861 1.00 0.00 H ATOM 70 HA HIS A 5 2.578 2.665 -4.151 1.00 0.00 H ATOM 71 1HB HIS A 5 3.602 0.440 -3.832 1.00 0.00 H ATOM 72 2HB HIS A 5 1.840 0.363 -3.927 1.00 0.00 H ATOM 73 HD2 HIS A 5 0.788 -0.803 -6.290 1.00 0.00 H ATOM 74 HE1 HIS A 5 4.498 -2.377 -7.578 1.00 0.00 H ATOM 75 HE2 HIS A 5 1.978 -2.409 -7.986 1.00 0.00 H ATOM 76 N PHE A 6 4.942 2.983 -4.958 1.00 0.00 N ATOM 77 CA PHE A 6 6.267 3.330 -5.448 1.00 0.00 C ATOM 78 C PHE A 6 7.194 2.126 -5.282 1.00 0.00 C ATOM 79 O PHE A 6 8.130 2.154 -4.485 1.00 0.00 O ATOM 80 CB PHE A 6 6.771 4.584 -4.721 1.00 0.00 C ATOM 81 CG PHE A 6 8.010 5.208 -5.335 1.00 0.00 C ATOM 82 CD1 PHE A 6 7.950 5.734 -6.638 1.00 0.00 C ATOM 83 CD2 PHE A 6 9.205 5.310 -4.598 1.00 0.00 C ATOM 84 CE1 PHE A 6 9.061 6.389 -7.192 1.00 0.00 C ATOM 85 CE2 PHE A 6 10.323 5.956 -5.156 1.00 0.00 C ATOM 86 CZ PHE A 6 10.249 6.504 -6.449 1.00 0.00 C ATOM 87 H PHE A 6 4.736 3.175 -3.988 1.00 0.00 H ATOM 88 HA PHE A 6 6.204 3.566 -6.509 1.00 0.00 H ATOM 89 1HB PHE A 6 5.985 5.339 -4.758 1.00 0.00 H ATOM 90 2HB PHE A 6 6.948 4.348 -3.671 1.00 0.00 H ATOM 91 HD1 PHE A 6 7.048 5.636 -7.217 1.00 0.00 H ATOM 92 HD2 PHE A 6 9.271 4.895 -3.603 1.00 0.00 H ATOM 93 HE1 PHE A 6 9.001 6.795 -8.191 1.00 0.00 H ATOM 94 HE2 PHE A 6 11.241 6.029 -4.591 1.00 0.00 H ATOM 95 HZ PHE A 6 11.108 6.999 -6.876 1.00 0.00 H ATOM 96 N GLY A 7 6.905 1.058 -6.035 1.00 0.00 N ATOM 97 CA GLY A 7 7.653 -0.187 -6.026 1.00 0.00 C ATOM 98 C GLY A 7 7.597 -0.820 -7.418 1.00 0.00 C ATOM 99 O GLY A 7 6.644 -0.570 -8.153 1.00 0.00 O ATOM 100 H GLY A 7 6.123 1.116 -6.675 1.00 0.00 H ATOM 101 1HA GLY A 7 8.678 0.017 -5.724 1.00 0.00 H ATOM 102 2HA GLY A 7 7.201 -0.869 -5.306 1.00 0.00 H ATOM 103 N PRO A 8 8.592 -1.634 -7.808 1.00 0.00 N ATOM 104 CA PRO A 8 9.761 -2.022 -7.027 1.00 0.00 C ATOM 105 C PRO A 8 10.786 -0.888 -6.901 1.00 0.00 C ATOM 106 O PRO A 8 11.624 -0.926 -6.002 1.00 0.00 O ATOM 107 CB PRO A 8 10.356 -3.215 -7.780 1.00 0.00 C ATOM 108 CG PRO A 8 10.000 -2.915 -9.235 1.00 0.00 C ATOM 109 CD PRO A 8 8.620 -2.271 -9.115 1.00 0.00 C ATOM 110 HA PRO A 8 9.463 -2.346 -6.028 1.00 0.00 H ATOM 111 1HB PRO A 8 11.431 -3.322 -7.628 1.00 0.00 H ATOM 112 2HB PRO A 8 9.844 -4.128 -7.470 1.00 0.00 H ATOM 113 1HG PRO A 8 10.709 -2.191 -9.640 1.00 0.00 H ATOM 114 2HG PRO A 8 9.985 -3.814 -9.852 1.00 0.00 H ATOM 115 1HD PRO A 8 8.465 -1.548 -9.917 1.00 0.00 H ATOM 116 2HD PRO A 8 7.847 -3.040 -9.152 1.00 0.00 H ATOM 117 N LEU A 9 10.708 0.121 -7.779 1.00 0.00 N ATOM 118 CA LEU A 9 11.543 1.313 -7.746 1.00 0.00 C ATOM 119 C LEU A 9 10.691 2.534 -8.091 1.00 0.00 C ATOM 120 O LEU A 9 10.683 3.510 -7.346 1.00 0.00 O ATOM 121 CB LEU A 9 12.717 1.137 -8.721 1.00 0.00 C ATOM 122 CG LEU A 9 13.636 2.367 -8.824 1.00 0.00 C ATOM 123 CD1 LEU A 9 14.294 2.710 -7.482 1.00 0.00 C ATOM 124 CD2 LEU A 9 14.725 2.092 -9.867 1.00 0.00 C ATOM 125 H LEU A 9 10.000 0.080 -8.498 1.00 0.00 H ATOM 126 HA LEU A 9 11.933 1.450 -6.737 1.00 0.00 H ATOM 127 1HB LEU A 9 13.310 0.279 -8.398 1.00 0.00 H ATOM 128 2HB LEU A 9 12.317 0.919 -9.712 1.00 0.00 H ATOM 129 HG LEU A 9 13.062 3.230 -9.163 1.00 0.00 H ATOM 130 1HD1 LEU A 9 14.813 1.836 -7.085 1.00 0.00 H ATOM 131 2HD1 LEU A 9 15.014 3.517 -7.623 1.00 0.00 H ATOM 132 3HD1 LEU A 9 13.546 3.043 -6.764 1.00 0.00 H ATOM 133 1HD2 LEU A 9 14.266 1.874 -10.832 1.00 0.00 H ATOM 134 2HD2 LEU A 9 15.365 2.968 -9.973 1.00 0.00 H ATOM 135 3HD2 LEU A 9 15.332 1.240 -9.559 1.00 0.00 H ATOM 136 N THR A 10 9.979 2.469 -9.222 1.00 0.00 N ATOM 137 CA THR A 10 9.169 3.555 -9.755 1.00 0.00 C ATOM 138 C THR A 10 7.697 3.336 -9.396 1.00 0.00 C ATOM 139 O THR A 10 7.340 2.322 -8.796 1.00 0.00 O ATOM 140 CB THR A 10 9.365 3.607 -11.279 1.00 0.00 C ATOM 141 OG1 THR A 10 9.038 2.353 -11.844 1.00 0.00 O ATOM 142 CG2 THR A 10 10.810 3.963 -11.644 1.00 0.00 C ATOM 143 H THR A 10 10.028 1.632 -9.784 1.00 0.00 H ATOM 144 HA THR A 10 9.489 4.510 -9.338 1.00 0.00 H ATOM 145 HB THR A 10 8.712 4.368 -11.707 1.00 0.00 H ATOM 146 HG1 THR A 10 9.119 2.414 -12.799 1.00 0.00 H ATOM 147 1HG2 THR A 10 11.495 3.187 -11.302 1.00 0.00 H ATOM 148 2HG2 THR A 10 10.899 4.057 -12.726 1.00 0.00 H ATOM 149 3HG2 THR A 10 11.085 4.913 -11.183 1.00 0.00 H ATOM 150 N TRP A 11 6.838 4.292 -9.769 1.00 0.00 N ATOM 151 CA TRP A 11 5.400 4.181 -9.582 1.00 0.00 C ATOM 152 C TRP A 11 4.828 3.106 -10.504 1.00 0.00 C ATOM 153 O TRP A 11 4.860 3.254 -11.725 1.00 0.00 O ATOM 154 CB TRP A 11 4.723 5.534 -9.825 1.00 0.00 C ATOM 155 CG TRP A 11 4.881 6.511 -8.702 1.00 0.00 C ATOM 156 CD1 TRP A 11 5.670 7.608 -8.704 1.00 0.00 C ATOM 157 CD2 TRP A 11 4.267 6.464 -7.380 1.00 0.00 C ATOM 158 NE1 TRP A 11 5.599 8.239 -7.479 1.00 0.00 N ATOM 159 CE2 TRP A 11 4.748 7.570 -6.621 1.00 0.00 C ATOM 160 CE3 TRP A 11 3.357 5.592 -6.742 1.00 0.00 C ATOM 161 CZ2 TRP A 11 4.351 7.797 -5.294 1.00 0.00 C ATOM 162 CZ3 TRP A 11 2.949 5.813 -5.413 1.00 0.00 C ATOM 163 CH2 TRP A 11 3.447 6.910 -4.688 1.00 0.00 C ATOM 164 H TRP A 11 7.187 5.109 -10.248 1.00 0.00 H ATOM 165 HA TRP A 11 5.205 3.902 -8.548 1.00 0.00 H ATOM 166 1HB TRP A 11 5.094 5.970 -10.754 1.00 0.00 H ATOM 167 2HB TRP A 11 3.652 5.364 -9.941 1.00 0.00 H ATOM 168 HD1 TRP A 11 6.285 7.931 -9.532 1.00 0.00 H ATOM 169 HE1 TRP A 11 6.100 9.076 -7.219 1.00 0.00 H ATOM 170 HE3 TRP A 11 2.964 4.745 -7.285 1.00 0.00 H ATOM 171 HZ2 TRP A 11 4.737 8.643 -4.746 1.00 0.00 H ATOM 172 HZ3 TRP A 11 2.247 5.138 -4.948 1.00 0.00 H ATOM 173 HH2 TRP A 11 3.132 7.071 -3.668 1.00 0.00 H ATOM 174 N VAL A 12 4.286 2.041 -9.902 1.00 0.00 N ATOM 175 CA VAL A 12 3.524 0.996 -10.571 1.00 0.00 C ATOM 176 C VAL A 12 2.185 0.895 -9.844 1.00 0.00 C ATOM 177 O VAL A 12 2.124 1.123 -8.637 1.00 0.00 O ATOM 178 CB VAL A 12 4.303 -0.331 -10.534 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.514 -1.471 -11.192 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.656 -0.194 -11.245 1.00 0.00 C ATOM 181 H VAL A 12 4.309 1.999 -8.890 1.00 0.00 H ATOM 182 HA VAL A 12 3.338 1.269 -11.611 1.00 0.00 H ATOM 183 HB VAL A 12 4.481 -0.603 -9.495 1.00 0.00 H ATOM 184 1HG1 VAL A 12 3.246 -1.199 -12.214 1.00 0.00 H ATOM 185 2HG1 VAL A 12 4.123 -2.375 -11.213 1.00 0.00 H ATOM 186 3HG1 VAL A 12 2.608 -1.687 -10.626 1.00 0.00 H ATOM 187 1HG2 VAL A 12 5.503 0.115 -12.280 1.00 0.00 H ATOM 188 2HG2 VAL A 12 6.283 0.542 -10.743 1.00 0.00 H ATOM 189 3HG2 VAL A 12 6.178 -1.151 -11.233 1.00 0.00 H ATOM 190 N CYS A 13 1.107 0.583 -10.574 1.00 0.00 N ATOM 191 CA CYS A 13 -0.228 0.518 -10.004 1.00 0.00 C ATOM 192 C CYS A 13 -1.008 -0.659 -10.574 1.00 0.00 C ATOM 193 O CYS A 13 -0.952 -0.924 -11.773 1.00 0.00 O ATOM 194 CB CYS A 13 -0.954 1.850 -10.223 1.00 0.00 C ATOM 195 SG CYS A 13 -2.489 2.007 -9.275 1.00 0.00 S ATOM 196 H CYS A 13 1.207 0.395 -11.562 1.00 0.00 H ATOM 197 HA CYS A 13 -0.141 0.339 -8.934 1.00 0.00 H ATOM 198 1HB CYS A 13 -0.287 2.653 -9.908 1.00 0.00 H ATOM 199 2HB CYS A 13 -1.174 1.986 -11.282 1.00 0.00 H ATOM 200 N LYS A 14 -1.730 -1.354 -9.688 1.00 0.00 N ATOM 201 CA LYS A 14 -2.604 -2.465 -10.020 1.00 0.00 C ATOM 202 C LYS A 14 -4.038 -1.928 -9.979 1.00 0.00 C ATOM 203 O LYS A 14 -4.513 -1.606 -8.891 1.00 0.00 O ATOM 204 CB LYS A 14 -2.409 -3.589 -8.993 1.00 0.00 C ATOM 205 CG LYS A 14 -0.963 -4.103 -8.987 1.00 0.00 C ATOM 206 CD LYS A 14 -0.760 -5.265 -8.003 1.00 0.00 C ATOM 207 CE LYS A 14 -1.078 -4.912 -6.543 1.00 0.00 C ATOM 208 NZ LYS A 14 -0.335 -3.727 -6.080 1.00 0.00 N ATOM 209 H LYS A 14 -1.722 -1.053 -8.722 1.00 0.00 H ATOM 210 HA LYS A 14 -2.345 -2.872 -10.995 1.00 0.00 H ATOM 211 1HB LYS A 14 -2.661 -3.209 -8.005 1.00 0.00 H ATOM 212 2HB LYS A 14 -3.080 -4.413 -9.236 1.00 0.00 H ATOM 213 1HG LYS A 14 -0.715 -4.458 -9.989 1.00 0.00 H ATOM 214 2HG LYS A 14 -0.275 -3.296 -8.735 1.00 0.00 H ATOM 215 1HD LYS A 14 -1.392 -6.101 -8.305 1.00 0.00 H ATOM 216 2HD LYS A 14 0.281 -5.586 -8.064 1.00 0.00 H ATOM 217 1HE LYS A 14 -2.147 -4.737 -6.421 1.00 0.00 H ATOM 218 2HE LYS A 14 -0.802 -5.759 -5.914 1.00 0.00 H ATOM 219 1HZ LYS A 14 0.657 -3.887 -6.181 1.00 0.00 H ATOM 220 2HZ LYS A 14 -0.605 -2.922 -6.627 1.00 0.00 H ATOM 221 3HZ LYS A 14 -0.550 -3.554 -5.108 1.00 0.00 H ATOM 222 N PRO A 15 -4.727 -1.783 -11.125 1.00 0.00 N ATOM 223 CA PRO A 15 -6.037 -1.153 -11.178 1.00 0.00 C ATOM 224 C PRO A 15 -7.103 -2.039 -10.528 1.00 0.00 C ATOM 225 O PRO A 15 -7.806 -1.583 -9.631 1.00 0.00 O ATOM 226 CB PRO A 15 -6.313 -0.882 -12.660 1.00 0.00 C ATOM 227 CG PRO A 15 -5.453 -1.908 -13.396 1.00 0.00 C ATOM 228 CD PRO A 15 -4.261 -2.118 -12.462 1.00 0.00 C ATOM 229 HA PRO A 15 -6.001 -0.199 -10.653 1.00 0.00 H ATOM 230 1HB PRO A 15 -7.369 -0.972 -12.918 1.00 0.00 H ATOM 231 2HB PRO A 15 -5.955 0.118 -12.908 1.00 0.00 H ATOM 232 1HG PRO A 15 -6.006 -2.841 -13.505 1.00 0.00 H ATOM 233 2HG PRO A 15 -5.143 -1.549 -14.379 1.00 0.00 H ATOM 234 1HD PRO A 15 -3.927 -3.153 -12.531 1.00 0.00 H ATOM 235 2HD PRO A 15 -3.454 -1.439 -12.743 1.00 0.00 H ATOM 236 N GLN A 16 -7.202 -3.297 -10.979 1.00 0.00 N ATOM 237 CA GLN A 16 -8.085 -4.339 -10.465 1.00 0.00 C ATOM 238 C GLN A 16 -9.567 -4.038 -10.726 1.00 0.00 C ATOM 239 O GLN A 16 -10.209 -4.740 -11.503 1.00 0.00 O ATOM 240 CB GLN A 16 -7.787 -4.660 -8.991 1.00 0.00 C ATOM 241 CG GLN A 16 -6.318 -5.062 -8.798 1.00 0.00 C ATOM 242 CD GLN A 16 -6.046 -5.585 -7.390 1.00 0.00 C ATOM 243 OE1 GLN A 16 -6.188 -6.778 -7.133 1.00 0.00 O ATOM 244 NE2 GLN A 16 -5.640 -4.704 -6.475 1.00 0.00 N ATOM 245 H GLN A 16 -6.572 -3.576 -11.716 1.00 0.00 H ATOM 246 HA GLN A 16 -7.850 -5.241 -11.031 1.00 0.00 H ATOM 247 1HB GLN A 16 -8.019 -3.808 -8.354 1.00 0.00 H ATOM 248 2HB GLN A 16 -8.420 -5.496 -8.689 1.00 0.00 H ATOM 249 1HG GLN A 16 -6.069 -5.852 -9.508 1.00 0.00 H ATOM 250 2HG GLN A 16 -5.669 -4.208 -8.993 1.00 0.00 H ATOM 251 1HE2 GLN A 16 -5.547 -3.726 -6.720 1.00 0.00 H ATOM 252 2HE2 GLN A 16 -5.438 -5.013 -5.536 1.00 0.00 H HETATM 253 N NH2 A 17 -10.124 -3.010 -10.084 1.00 0.00 N HETATM 254 1HN NH2 A 17 -11.096 -2.786 -10.239 1.00 0.00 H HETATM 255 2HN NH2 A 17 -9.552 -2.429 -9.486 1.00 0.00 H TER 256 NH2 A 17 ENDMDL MODEL 6 ATOM 1 N THR A 1 -10.130 -2.105 -6.849 1.00 0.00 N ATOM 2 CA THR A 1 -9.404 -1.012 -7.521 1.00 0.00 C ATOM 3 C THR A 1 -7.893 -1.212 -7.408 1.00 0.00 C ATOM 4 O THR A 1 -7.414 -1.725 -6.399 1.00 0.00 O ATOM 5 CB THR A 1 -9.814 0.361 -6.968 1.00 0.00 C ATOM 6 OG1 THR A 1 -9.610 0.400 -5.570 1.00 0.00 O ATOM 7 CG2 THR A 1 -11.282 0.676 -7.272 1.00 0.00 C ATOM 8 1H THR A 1 -9.802 -2.991 -7.213 1.00 0.00 H ATOM 9 2H THR A 1 -9.939 -2.059 -5.858 1.00 0.00 H ATOM 10 3H THR A 1 -11.122 -2.013 -7.011 1.00 0.00 H ATOM 11 HA THR A 1 -9.670 -1.052 -8.578 1.00 0.00 H ATOM 12 HB THR A 1 -9.195 1.129 -7.435 1.00 0.00 H ATOM 13 HG1 THR A 1 -9.826 1.279 -5.251 1.00 0.00 H ATOM 14 1HG2 THR A 1 -11.939 -0.035 -6.771 1.00 0.00 H ATOM 15 2HG2 THR A 1 -11.518 1.681 -6.920 1.00 0.00 H ATOM 16 3HG2 THR A 1 -11.456 0.631 -8.348 1.00 0.00 H ATOM 17 N TYR A 2 -7.153 -0.819 -8.453 1.00 0.00 N ATOM 18 CA TYR A 2 -5.717 -1.040 -8.570 1.00 0.00 C ATOM 19 C TYR A 2 -4.956 -0.490 -7.362 1.00 0.00 C ATOM 20 O TYR A 2 -5.337 0.523 -6.776 1.00 0.00 O ATOM 21 CB TYR A 2 -5.181 -0.414 -9.866 1.00 0.00 C ATOM 22 CG TYR A 2 -5.289 -1.290 -11.102 1.00 0.00 C ATOM 23 CD1 TYR A 2 -6.545 -1.726 -11.565 1.00 0.00 C ATOM 24 CD2 TYR A 2 -4.125 -1.657 -11.806 1.00 0.00 C ATOM 25 CE1 TYR A 2 -6.633 -2.541 -12.707 1.00 0.00 C ATOM 26 CE2 TYR A 2 -4.213 -2.463 -12.953 1.00 0.00 C ATOM 27 CZ TYR A 2 -5.468 -2.908 -13.402 1.00 0.00 C ATOM 28 OH TYR A 2 -5.559 -3.698 -14.511 1.00 0.00 O ATOM 29 H TYR A 2 -7.619 -0.379 -9.233 1.00 0.00 H ATOM 30 HA TYR A 2 -5.550 -2.118 -8.610 1.00 0.00 H ATOM 31 1HB TYR A 2 -5.688 0.535 -10.051 1.00 0.00 H ATOM 32 2HB TYR A 2 -4.126 -0.189 -9.712 1.00 0.00 H ATOM 33 HD1 TYR A 2 -7.451 -1.437 -11.055 1.00 0.00 H ATOM 34 HD2 TYR A 2 -3.154 -1.329 -11.468 1.00 0.00 H ATOM 35 HE1 TYR A 2 -7.599 -2.880 -13.053 1.00 0.00 H ATOM 36 HE2 TYR A 2 -3.314 -2.743 -13.481 1.00 0.00 H ATOM 37 HH TYR A 2 -4.709 -3.882 -14.917 1.00 0.00 H ATOM 38 N SER A 3 -3.858 -1.171 -7.021 1.00 0.00 N ATOM 39 CA SER A 3 -2.997 -0.863 -5.895 1.00 0.00 C ATOM 40 C SER A 3 -1.785 -0.091 -6.416 1.00 0.00 C ATOM 41 O SER A 3 -0.833 -0.677 -6.929 1.00 0.00 O ATOM 42 CB SER A 3 -2.617 -2.163 -5.174 1.00 0.00 C ATOM 43 OG SER A 3 -2.103 -3.133 -6.065 1.00 0.00 O ATOM 44 H SER A 3 -3.596 -1.963 -7.591 1.00 0.00 H ATOM 45 HA SER A 3 -3.529 -0.245 -5.169 1.00 0.00 H ATOM 46 1HB SER A 3 -1.872 -1.950 -4.406 1.00 0.00 H ATOM 47 2HB SER A 3 -3.505 -2.575 -4.694 1.00 0.00 H ATOM 48 HG SER A 3 -2.745 -3.303 -6.759 1.00 0.00 H ATOM 49 N CYS A 4 -1.853 1.239 -6.289 1.00 0.00 N ATOM 50 CA CYS A 4 -0.875 2.187 -6.798 1.00 0.00 C ATOM 51 C CYS A 4 0.051 2.605 -5.660 1.00 0.00 C ATOM 52 O CYS A 4 -0.392 3.227 -4.696 1.00 0.00 O ATOM 53 CB CYS A 4 -1.614 3.387 -7.393 1.00 0.00 C ATOM 54 SG CYS A 4 -2.586 3.068 -8.891 1.00 0.00 S ATOM 55 H CYS A 4 -2.674 1.630 -5.849 1.00 0.00 H ATOM 56 HA CYS A 4 -0.272 1.749 -7.585 1.00 0.00 H ATOM 57 1HB CYS A 4 -2.290 3.788 -6.637 1.00 0.00 H ATOM 58 2HB CYS A 4 -0.893 4.162 -7.638 1.00 0.00 H ATOM 59 N HIS A 5 1.330 2.226 -5.772 1.00 0.00 N ATOM 60 CA HIS A 5 2.344 2.419 -4.747 1.00 0.00 C ATOM 61 C HIS A 5 3.673 2.819 -5.388 1.00 0.00 C ATOM 62 O HIS A 5 3.855 2.669 -6.597 1.00 0.00 O ATOM 63 CB HIS A 5 2.512 1.115 -3.954 1.00 0.00 C ATOM 64 CG HIS A 5 3.183 0.025 -4.754 1.00 0.00 C ATOM 65 ND1 HIS A 5 2.594 -0.506 -5.901 1.00 0.00 N ATOM 66 CD2 HIS A 5 4.423 -0.536 -4.593 1.00 0.00 C ATOM 67 CE1 HIS A 5 3.505 -1.346 -6.396 1.00 0.00 C ATOM 68 NE2 HIS A 5 4.615 -1.409 -5.643 1.00 0.00 N ATOM 69 H HIS A 5 1.619 1.720 -6.601 1.00 0.00 H ATOM 70 HA HIS A 5 2.038 3.212 -4.063 1.00 0.00 H ATOM 71 1HB HIS A 5 3.121 1.317 -3.072 1.00 0.00 H ATOM 72 2HB HIS A 5 1.536 0.764 -3.618 1.00 0.00 H ATOM 73 HD2 HIS A 5 5.134 -0.305 -3.814 1.00 0.00 H ATOM 74 HE1 HIS A 5 3.364 -1.912 -7.303 1.00 0.00 H ATOM 75 HE2 HIS A 5 5.438 -1.967 -5.815 1.00 0.00 H ATOM 76 N PHE A 6 4.618 3.275 -4.556 1.00 0.00 N ATOM 77 CA PHE A 6 5.994 3.491 -4.971 1.00 0.00 C ATOM 78 C PHE A 6 6.755 2.171 -4.874 1.00 0.00 C ATOM 79 O PHE A 6 7.166 1.770 -3.786 1.00 0.00 O ATOM 80 CB PHE A 6 6.663 4.585 -4.132 1.00 0.00 C ATOM 81 CG PHE A 6 8.052 4.923 -4.642 1.00 0.00 C ATOM 82 CD1 PHE A 6 8.198 5.619 -5.858 1.00 0.00 C ATOM 83 CD2 PHE A 6 9.190 4.398 -4.000 1.00 0.00 C ATOM 84 CE1 PHE A 6 9.474 5.804 -6.418 1.00 0.00 C ATOM 85 CE2 PHE A 6 10.466 4.586 -4.559 1.00 0.00 C ATOM 86 CZ PHE A 6 10.608 5.292 -5.766 1.00 0.00 C ATOM 87 H PHE A 6 4.402 3.369 -3.574 1.00 0.00 H ATOM 88 HA PHE A 6 6.006 3.842 -6.000 1.00 0.00 H ATOM 89 1HB PHE A 6 6.056 5.490 -4.170 1.00 0.00 H ATOM 90 2HB PHE A 6 6.716 4.268 -3.090 1.00 0.00 H ATOM 91 HD1 PHE A 6 7.331 5.999 -6.376 1.00 0.00 H ATOM 92 HD2 PHE A 6 9.088 3.829 -3.087 1.00 0.00 H ATOM 93 HE1 PHE A 6 9.582 6.335 -7.352 1.00 0.00 H ATOM 94 HE2 PHE A 6 11.337 4.178 -4.067 1.00 0.00 H ATOM 95 HZ PHE A 6 11.588 5.428 -6.199 1.00 0.00 H ATOM 96 N GLY A 7 6.945 1.500 -6.013 1.00 0.00 N ATOM 97 CA GLY A 7 7.745 0.293 -6.111 1.00 0.00 C ATOM 98 C GLY A 7 7.384 -0.473 -7.386 1.00 0.00 C ATOM 99 O GLY A 7 6.329 -0.211 -7.962 1.00 0.00 O ATOM 100 H GLY A 7 6.577 1.873 -6.878 1.00 0.00 H ATOM 101 1HA GLY A 7 8.784 0.614 -6.125 1.00 0.00 H ATOM 102 2HA GLY A 7 7.574 -0.353 -5.249 1.00 0.00 H ATOM 103 N PRO A 8 8.214 -1.434 -7.830 1.00 0.00 N ATOM 104 CA PRO A 8 9.432 -1.906 -7.178 1.00 0.00 C ATOM 105 C PRO A 8 10.556 -0.866 -7.187 1.00 0.00 C ATOM 106 O PRO A 8 11.167 -0.619 -6.149 1.00 0.00 O ATOM 107 CB PRO A 8 9.852 -3.172 -7.939 1.00 0.00 C ATOM 108 CG PRO A 8 8.569 -3.627 -8.632 1.00 0.00 C ATOM 109 CD PRO A 8 7.884 -2.300 -8.947 1.00 0.00 C ATOM 110 HA PRO A 8 9.191 -2.183 -6.150 1.00 0.00 H ATOM 111 1HB PRO A 8 10.590 -2.934 -8.706 1.00 0.00 H ATOM 112 2HB PRO A 8 10.249 -3.938 -7.272 1.00 0.00 H ATOM 113 1HG PRO A 8 8.764 -4.218 -9.527 1.00 0.00 H ATOM 114 2HG PRO A 8 7.957 -4.194 -7.928 1.00 0.00 H ATOM 115 1HD PRO A 8 8.297 -1.874 -9.863 1.00 0.00 H ATOM 116 2HD PRO A 8 6.810 -2.449 -9.060 1.00 0.00 H ATOM 117 N LEU A 9 10.814 -0.262 -8.354 1.00 0.00 N ATOM 118 CA LEU A 9 11.830 0.767 -8.547 1.00 0.00 C ATOM 119 C LEU A 9 11.129 2.124 -8.646 1.00 0.00 C ATOM 120 O LEU A 9 11.365 3.005 -7.823 1.00 0.00 O ATOM 121 CB LEU A 9 12.661 0.424 -9.797 1.00 0.00 C ATOM 122 CG LEU A 9 14.071 1.042 -9.811 1.00 0.00 C ATOM 123 CD1 LEU A 9 14.818 0.543 -11.053 1.00 0.00 C ATOM 124 CD2 LEU A 9 14.066 2.575 -9.816 1.00 0.00 C ATOM 125 H LEU A 9 10.260 -0.520 -9.158 1.00 0.00 H ATOM 126 HA LEU A 9 12.507 0.781 -7.692 1.00 0.00 H ATOM 127 1HB LEU A 9 12.797 -0.659 -9.814 1.00 0.00 H ATOM 128 2HB LEU A 9 12.123 0.705 -10.702 1.00 0.00 H ATOM 129 HG LEU A 9 14.616 0.701 -8.929 1.00 0.00 H ATOM 130 1HD1 LEU A 9 14.860 -0.547 -11.049 1.00 0.00 H ATOM 131 2HD1 LEU A 9 14.307 0.878 -11.956 1.00 0.00 H ATOM 132 3HD1 LEU A 9 15.837 0.931 -11.054 1.00 0.00 H ATOM 133 1HD2 LEU A 9 13.423 2.949 -10.612 1.00 0.00 H ATOM 134 2HD2 LEU A 9 13.721 2.955 -8.856 1.00 0.00 H ATOM 135 3HD2 LEU A 9 15.079 2.945 -9.976 1.00 0.00 H ATOM 136 N THR A 10 10.242 2.269 -9.637 1.00 0.00 N ATOM 137 CA THR A 10 9.451 3.468 -9.878 1.00 0.00 C ATOM 138 C THR A 10 8.048 3.267 -9.299 1.00 0.00 C ATOM 139 O THR A 10 7.762 2.227 -8.710 1.00 0.00 O ATOM 140 CB THR A 10 9.387 3.725 -11.394 1.00 0.00 C ATOM 141 OG1 THR A 10 8.783 2.628 -12.050 1.00 0.00 O ATOM 142 CG2 THR A 10 10.781 3.953 -11.986 1.00 0.00 C ATOM 143 H THR A 10 10.086 1.495 -10.266 1.00 0.00 H ATOM 144 HA THR A 10 9.906 4.335 -9.397 1.00 0.00 H ATOM 145 HB THR A 10 8.794 4.620 -11.589 1.00 0.00 H ATOM 146 HG1 THR A 10 7.860 2.577 -11.788 1.00 0.00 H ATOM 147 1HG2 THR A 10 11.378 3.044 -11.920 1.00 0.00 H ATOM 148 2HG2 THR A 10 10.686 4.231 -13.036 1.00 0.00 H ATOM 149 3HG2 THR A 10 11.285 4.758 -11.451 1.00 0.00 H ATOM 150 N TRP A 11 7.159 4.246 -9.490 1.00 0.00 N ATOM 151 CA TRP A 11 5.756 4.097 -9.140 1.00 0.00 C ATOM 152 C TRP A 11 5.076 3.146 -10.126 1.00 0.00 C ATOM 153 O TRP A 11 5.259 3.293 -11.334 1.00 0.00 O ATOM 154 CB TRP A 11 5.075 5.467 -9.133 1.00 0.00 C ATOM 155 CG TRP A 11 3.671 5.462 -8.613 1.00 0.00 C ATOM 156 CD1 TRP A 11 2.569 5.134 -9.322 1.00 0.00 C ATOM 157 CD2 TRP A 11 3.200 5.768 -7.267 1.00 0.00 C ATOM 158 NE1 TRP A 11 1.451 5.219 -8.520 1.00 0.00 N ATOM 159 CE2 TRP A 11 1.785 5.602 -7.235 1.00 0.00 C ATOM 160 CE3 TRP A 11 3.825 6.178 -6.070 1.00 0.00 C ATOM 161 CZ2 TRP A 11 1.031 5.829 -6.074 1.00 0.00 C ATOM 162 CZ3 TRP A 11 3.082 6.381 -4.893 1.00 0.00 C ATOM 163 CH2 TRP A 11 1.688 6.205 -4.892 1.00 0.00 C ATOM 164 H TRP A 11 7.438 5.088 -9.971 1.00 0.00 H ATOM 165 HA TRP A 11 5.691 3.680 -8.139 1.00 0.00 H ATOM 166 1HB TRP A 11 5.660 6.140 -8.504 1.00 0.00 H ATOM 167 2HB TRP A 11 5.073 5.874 -10.145 1.00 0.00 H ATOM 168 HD1 TRP A 11 2.561 4.845 -10.363 1.00 0.00 H ATOM 169 HE1 TRP A 11 0.505 5.033 -8.819 1.00 0.00 H ATOM 170 HE3 TRP A 11 4.891 6.338 -6.061 1.00 0.00 H ATOM 171 HZ2 TRP A 11 -0.042 5.717 -6.082 1.00 0.00 H ATOM 172 HZ3 TRP A 11 3.585 6.681 -3.985 1.00 0.00 H ATOM 173 HH2 TRP A 11 1.122 6.367 -3.986 1.00 0.00 H ATOM 174 N VAL A 12 4.306 2.176 -9.612 1.00 0.00 N ATOM 175 CA VAL A 12 3.546 1.230 -10.423 1.00 0.00 C ATOM 176 C VAL A 12 2.179 0.993 -9.774 1.00 0.00 C ATOM 177 O VAL A 12 2.048 1.055 -8.552 1.00 0.00 O ATOM 178 CB VAL A 12 4.325 -0.090 -10.611 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.578 -1.045 -11.554 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.727 0.140 -11.195 1.00 0.00 C ATOM 181 H VAL A 12 4.187 2.124 -8.608 1.00 0.00 H ATOM 182 HA VAL A 12 3.371 1.668 -11.407 1.00 0.00 H ATOM 183 HB VAL A 12 4.429 -0.584 -9.644 1.00 0.00 H ATOM 184 1HG1 VAL A 12 3.319 -0.532 -12.480 1.00 0.00 H ATOM 185 2HG1 VAL A 12 4.206 -1.902 -11.795 1.00 0.00 H ATOM 186 3HG1 VAL A 12 2.671 -1.417 -11.079 1.00 0.00 H ATOM 187 1HG2 VAL A 12 5.652 0.659 -12.151 1.00 0.00 H ATOM 188 2HG2 VAL A 12 6.341 0.726 -10.514 1.00 0.00 H ATOM 189 3HG2 VAL A 12 6.223 -0.817 -11.351 1.00 0.00 H ATOM 190 N CYS A 13 1.173 0.709 -10.611 1.00 0.00 N ATOM 191 CA CYS A 13 -0.161 0.285 -10.213 1.00 0.00 C ATOM 192 C CYS A 13 -0.346 -1.181 -10.604 1.00 0.00 C ATOM 193 O CYS A 13 -0.295 -1.509 -11.788 1.00 0.00 O ATOM 194 CB CYS A 13 -1.209 1.173 -10.891 1.00 0.00 C ATOM 195 SG CYS A 13 -1.225 2.924 -10.413 1.00 0.00 S ATOM 196 H CYS A 13 1.371 0.688 -11.601 1.00 0.00 H ATOM 197 HA CYS A 13 -0.290 0.364 -9.142 1.00 0.00 H ATOM 198 1HB CYS A 13 -1.044 1.132 -11.968 1.00 0.00 H ATOM 199 2HB CYS A 13 -2.201 0.769 -10.691 1.00 0.00 H ATOM 200 N LYS A 14 -0.565 -2.053 -9.611 1.00 0.00 N ATOM 201 CA LYS A 14 -0.791 -3.479 -9.815 1.00 0.00 C ATOM 202 C LYS A 14 -2.295 -3.767 -9.747 1.00 0.00 C ATOM 203 O LYS A 14 -3.002 -3.106 -8.986 1.00 0.00 O ATOM 204 CB LYS A 14 -0.052 -4.284 -8.736 1.00 0.00 C ATOM 205 CG LYS A 14 1.473 -4.129 -8.770 1.00 0.00 C ATOM 206 CD LYS A 14 2.084 -4.638 -10.083 1.00 0.00 C ATOM 207 CE LYS A 14 3.579 -4.942 -9.930 1.00 0.00 C ATOM 208 NZ LYS A 14 4.334 -3.784 -9.425 1.00 0.00 N ATOM 209 H LYS A 14 -0.607 -1.708 -8.659 1.00 0.00 H ATOM 210 HA LYS A 14 -0.405 -3.769 -10.791 1.00 0.00 H ATOM 211 1HB LYS A 14 -0.397 -3.959 -7.756 1.00 0.00 H ATOM 212 2HB LYS A 14 -0.296 -5.341 -8.842 1.00 0.00 H ATOM 213 1HG LYS A 14 1.739 -3.083 -8.620 1.00 0.00 H ATOM 214 2HG LYS A 14 1.877 -4.713 -7.942 1.00 0.00 H ATOM 215 1HD LYS A 14 1.585 -5.560 -10.384 1.00 0.00 H ATOM 216 2HD LYS A 14 1.943 -3.892 -10.866 1.00 0.00 H ATOM 217 1HE LYS A 14 3.711 -5.774 -9.238 1.00 0.00 H ATOM 218 2HE LYS A 14 3.983 -5.229 -10.902 1.00 0.00 H ATOM 219 1HZ LYS A 14 4.207 -2.998 -10.045 1.00 0.00 H ATOM 220 2HZ LYS A 14 4.002 -3.542 -8.503 1.00 0.00 H ATOM 221 3HZ LYS A 14 5.315 -4.019 -9.376 1.00 0.00 H ATOM 222 N PRO A 15 -2.805 -4.742 -10.521 1.00 0.00 N ATOM 223 CA PRO A 15 -4.216 -5.094 -10.534 1.00 0.00 C ATOM 224 C PRO A 15 -4.640 -5.656 -9.178 1.00 0.00 C ATOM 225 O PRO A 15 -3.943 -6.489 -8.601 1.00 0.00 O ATOM 226 CB PRO A 15 -4.378 -6.121 -11.658 1.00 0.00 C ATOM 227 CG PRO A 15 -2.997 -6.767 -11.745 1.00 0.00 C ATOM 228 CD PRO A 15 -2.058 -5.607 -11.420 1.00 0.00 C ATOM 229 HA PRO A 15 -4.820 -4.217 -10.764 1.00 0.00 H ATOM 230 1HB PRO A 15 -5.165 -6.849 -11.457 1.00 0.00 H ATOM 231 2HB PRO A 15 -4.582 -5.603 -12.595 1.00 0.00 H ATOM 232 1HG PRO A 15 -2.907 -7.535 -10.975 1.00 0.00 H ATOM 233 2HG PRO A 15 -2.801 -7.196 -12.729 1.00 0.00 H ATOM 234 1HD PRO A 15 -1.144 -5.991 -10.967 1.00 0.00 H ATOM 235 2HD PRO A 15 -1.824 -5.057 -12.333 1.00 0.00 H ATOM 236 N GLN A 16 -5.779 -5.174 -8.670 1.00 0.00 N ATOM 237 CA GLN A 16 -6.317 -5.540 -7.370 1.00 0.00 C ATOM 238 C GLN A 16 -7.828 -5.300 -7.414 1.00 0.00 C ATOM 239 O GLN A 16 -8.282 -4.272 -7.913 1.00 0.00 O ATOM 240 CB GLN A 16 -5.602 -4.711 -6.288 1.00 0.00 C ATOM 241 CG GLN A 16 -5.856 -5.175 -4.846 1.00 0.00 C ATOM 242 CD GLN A 16 -7.301 -5.024 -4.370 1.00 0.00 C ATOM 243 OE1 GLN A 16 -7.891 -5.981 -3.875 1.00 0.00 O ATOM 244 NE2 GLN A 16 -7.882 -3.832 -4.513 1.00 0.00 N ATOM 245 H GLN A 16 -6.302 -4.490 -9.200 1.00 0.00 H ATOM 246 HA GLN A 16 -6.125 -6.600 -7.191 1.00 0.00 H ATOM 247 1HB GLN A 16 -4.528 -4.803 -6.450 1.00 0.00 H ATOM 248 2HB GLN A 16 -5.856 -3.660 -6.397 1.00 0.00 H ATOM 249 1HG GLN A 16 -5.559 -6.221 -4.758 1.00 0.00 H ATOM 250 2HG GLN A 16 -5.223 -4.586 -4.183 1.00 0.00 H ATOM 251 1HE2 GLN A 16 -7.393 -3.068 -4.963 1.00 0.00 H ATOM 252 2HE2 GLN A 16 -8.834 -3.703 -4.202 1.00 0.00 H HETATM 253 N NH2 A 17 -8.616 -6.257 -6.919 1.00 0.00 N HETATM 254 1HN NH2 A 17 -9.618 -6.138 -6.937 1.00 0.00 H HETATM 255 2HN NH2 A 17 -8.210 -7.088 -6.512 1.00 0.00 H TER 256 NH2 A 17 ENDMDL MODEL 7 ATOM 1 N THR A 1 1.873 -5.176 -8.665 1.00 0.00 N ATOM 2 CA THR A 1 0.680 -5.611 -7.917 1.00 0.00 C ATOM 3 C THR A 1 -0.552 -4.795 -8.313 1.00 0.00 C ATOM 4 O THR A 1 -0.436 -3.773 -8.987 1.00 0.00 O ATOM 5 CB THR A 1 0.917 -5.534 -6.400 1.00 0.00 C ATOM 6 OG1 THR A 1 1.172 -4.198 -6.022 1.00 0.00 O ATOM 7 CG2 THR A 1 2.087 -6.418 -5.956 1.00 0.00 C ATOM 8 1H THR A 1 2.648 -5.794 -8.473 1.00 0.00 H ATOM 9 2H THR A 1 1.668 -5.180 -9.656 1.00 0.00 H ATOM 10 3H THR A 1 2.108 -4.236 -8.382 1.00 0.00 H ATOM 11 HA THR A 1 0.489 -6.651 -8.183 1.00 0.00 H ATOM 12 HB THR A 1 0.021 -5.876 -5.879 1.00 0.00 H ATOM 13 HG1 THR A 1 1.272 -4.161 -5.068 1.00 0.00 H ATOM 14 1HG2 THR A 1 3.025 -6.057 -6.379 1.00 0.00 H ATOM 15 2HG2 THR A 1 2.164 -6.399 -4.869 1.00 0.00 H ATOM 16 3HG2 THR A 1 1.918 -7.446 -6.280 1.00 0.00 H ATOM 17 N TYR A 2 -1.737 -5.243 -7.883 1.00 0.00 N ATOM 18 CA TYR A 2 -3.004 -4.566 -8.137 1.00 0.00 C ATOM 19 C TYR A 2 -3.208 -3.437 -7.116 1.00 0.00 C ATOM 20 O TYR A 2 -4.269 -3.332 -6.503 1.00 0.00 O ATOM 21 CB TYR A 2 -4.145 -5.596 -8.084 1.00 0.00 C ATOM 22 CG TYR A 2 -4.036 -6.718 -9.102 1.00 0.00 C ATOM 23 CD1 TYR A 2 -3.269 -7.864 -8.817 1.00 0.00 C ATOM 24 CD2 TYR A 2 -4.735 -6.635 -10.321 1.00 0.00 C ATOM 25 CE1 TYR A 2 -3.164 -8.897 -9.763 1.00 0.00 C ATOM 26 CE2 TYR A 2 -4.630 -7.669 -11.267 1.00 0.00 C ATOM 27 CZ TYR A 2 -3.840 -8.798 -10.992 1.00 0.00 C ATOM 28 OH TYR A 2 -3.726 -9.797 -11.913 1.00 0.00 O ATOM 29 H TYR A 2 -1.765 -6.082 -7.323 1.00 0.00 H ATOM 30 HA TYR A 2 -2.992 -4.128 -9.136 1.00 0.00 H ATOM 31 1HB TYR A 2 -4.180 -6.035 -7.086 1.00 0.00 H ATOM 32 2HB TYR A 2 -5.090 -5.077 -8.250 1.00 0.00 H ATOM 33 HD1 TYR A 2 -2.755 -7.956 -7.871 1.00 0.00 H ATOM 34 HD2 TYR A 2 -5.364 -5.784 -10.531 1.00 0.00 H ATOM 35 HE1 TYR A 2 -2.562 -9.768 -9.547 1.00 0.00 H ATOM 36 HE2 TYR A 2 -5.163 -7.594 -12.204 1.00 0.00 H ATOM 37 HH TYR A 2 -4.206 -9.620 -12.726 1.00 0.00 H ATOM 38 N SER A 3 -2.174 -2.610 -6.916 1.00 0.00 N ATOM 39 CA SER A 3 -2.168 -1.484 -5.995 1.00 0.00 C ATOM 40 C SER A 3 -1.415 -0.313 -6.627 1.00 0.00 C ATOM 41 O SER A 3 -0.702 -0.499 -7.611 1.00 0.00 O ATOM 42 CB SER A 3 -1.528 -1.909 -4.667 1.00 0.00 C ATOM 43 OG SER A 3 -2.207 -3.025 -4.128 1.00 0.00 O ATOM 44 H SER A 3 -1.347 -2.727 -7.486 1.00 0.00 H ATOM 45 HA SER A 3 -3.191 -1.158 -5.803 1.00 0.00 H ATOM 46 1HB SER A 3 -0.485 -2.180 -4.826 1.00 0.00 H ATOM 47 2HB SER A 3 -1.578 -1.086 -3.954 1.00 0.00 H ATOM 48 HG SER A 3 -3.152 -2.853 -4.153 1.00 0.00 H ATOM 49 N CYS A 4 -1.568 0.883 -6.044 1.00 0.00 N ATOM 50 CA CYS A 4 -0.910 2.111 -6.472 1.00 0.00 C ATOM 51 C CYS A 4 0.181 2.474 -5.470 1.00 0.00 C ATOM 52 O CYS A 4 -0.085 3.134 -4.468 1.00 0.00 O ATOM 53 CB CYS A 4 -1.958 3.209 -6.667 1.00 0.00 C ATOM 54 SG CYS A 4 -2.985 2.908 -8.130 1.00 0.00 S ATOM 55 H CYS A 4 -2.169 0.948 -5.236 1.00 0.00 H ATOM 56 HA CYS A 4 -0.427 1.975 -7.433 1.00 0.00 H ATOM 57 1HB CYS A 4 -2.600 3.255 -5.786 1.00 0.00 H ATOM 58 2HB CYS A 4 -1.465 4.174 -6.784 1.00 0.00 H ATOM 59 N HIS A 5 1.403 2.004 -5.749 1.00 0.00 N ATOM 60 CA HIS A 5 2.568 2.141 -4.887 1.00 0.00 C ATOM 61 C HIS A 5 3.812 2.436 -5.724 1.00 0.00 C ATOM 62 O HIS A 5 3.836 2.163 -6.924 1.00 0.00 O ATOM 63 CB HIS A 5 2.764 0.845 -4.091 1.00 0.00 C ATOM 64 CG HIS A 5 3.130 -0.330 -4.964 1.00 0.00 C ATOM 65 ND1 HIS A 5 4.456 -0.724 -5.144 1.00 0.00 N ATOM 66 CD2 HIS A 5 2.324 -1.129 -5.730 1.00 0.00 C ATOM 67 CE1 HIS A 5 4.395 -1.745 -6.003 1.00 0.00 C ATOM 68 NE2 HIS A 5 3.138 -2.034 -6.376 1.00 0.00 N ATOM 69 H HIS A 5 1.537 1.496 -6.615 1.00 0.00 H ATOM 70 HA HIS A 5 2.417 2.963 -4.186 1.00 0.00 H ATOM 71 1HB HIS A 5 3.560 0.996 -3.360 1.00 0.00 H ATOM 72 2HB HIS A 5 1.847 0.613 -3.549 1.00 0.00 H ATOM 73 HD2 HIS A 5 1.252 -1.055 -5.822 1.00 0.00 H ATOM 74 HE1 HIS A 5 5.262 -2.287 -6.352 1.00 0.00 H ATOM 75 HE2 HIS A 5 2.833 -2.767 -7.001 1.00 0.00 H ATOM 76 N PHE A 6 4.856 2.957 -5.069 1.00 0.00 N ATOM 77 CA PHE A 6 6.171 3.135 -5.662 1.00 0.00 C ATOM 78 C PHE A 6 7.057 1.965 -5.239 1.00 0.00 C ATOM 79 O PHE A 6 7.588 1.959 -4.129 1.00 0.00 O ATOM 80 CB PHE A 6 6.760 4.487 -5.246 1.00 0.00 C ATOM 81 CG PHE A 6 8.016 4.850 -6.015 1.00 0.00 C ATOM 82 CD1 PHE A 6 7.913 5.281 -7.350 1.00 0.00 C ATOM 83 CD2 PHE A 6 9.283 4.732 -5.414 1.00 0.00 C ATOM 84 CE1 PHE A 6 9.070 5.603 -8.080 1.00 0.00 C ATOM 85 CE2 PHE A 6 10.437 5.088 -6.134 1.00 0.00 C ATOM 86 CZ PHE A 6 10.331 5.522 -7.466 1.00 0.00 C ATOM 87 H PHE A 6 4.763 3.145 -4.081 1.00 0.00 H ATOM 88 HA PHE A 6 6.088 3.147 -6.746 1.00 0.00 H ATOM 89 1HB PHE A 6 6.020 5.265 -5.435 1.00 0.00 H ATOM 90 2HB PHE A 6 6.965 4.487 -4.174 1.00 0.00 H ATOM 91 HD1 PHE A 6 6.944 5.373 -7.816 1.00 0.00 H ATOM 92 HD2 PHE A 6 9.375 4.382 -4.396 1.00 0.00 H ATOM 93 HE1 PHE A 6 8.989 5.928 -9.107 1.00 0.00 H ATOM 94 HE2 PHE A 6 11.405 5.036 -5.659 1.00 0.00 H ATOM 95 HZ PHE A 6 11.218 5.792 -8.020 1.00 0.00 H ATOM 96 N GLY A 7 7.198 0.967 -6.117 1.00 0.00 N ATOM 97 CA GLY A 7 7.973 -0.232 -5.853 1.00 0.00 C ATOM 98 C GLY A 7 8.236 -0.985 -7.161 1.00 0.00 C ATOM 99 O GLY A 7 7.346 -1.022 -8.010 1.00 0.00 O ATOM 100 H GLY A 7 6.743 1.036 -7.019 1.00 0.00 H ATOM 101 1HA GLY A 7 8.886 0.051 -5.339 1.00 0.00 H ATOM 102 2HA GLY A 7 7.400 -0.883 -5.192 1.00 0.00 H ATOM 103 N PRO A 8 9.415 -1.609 -7.346 1.00 0.00 N ATOM 104 CA PRO A 8 10.580 -1.576 -6.466 1.00 0.00 C ATOM 105 C PRO A 8 11.189 -0.173 -6.389 1.00 0.00 C ATOM 106 O PRO A 8 11.477 0.318 -5.299 1.00 0.00 O ATOM 107 CB PRO A 8 11.582 -2.579 -7.055 1.00 0.00 C ATOM 108 CG PRO A 8 10.719 -3.490 -7.925 1.00 0.00 C ATOM 109 CD PRO A 8 9.653 -2.530 -8.443 1.00 0.00 C ATOM 110 HA PRO A 8 10.284 -1.918 -5.473 1.00 0.00 H ATOM 111 1HB PRO A 8 12.304 -2.071 -7.698 1.00 0.00 H ATOM 112 2HB PRO A 8 12.109 -3.135 -6.279 1.00 0.00 H ATOM 113 1HG PRO A 8 11.287 -3.958 -8.731 1.00 0.00 H ATOM 114 2HG PRO A 8 10.250 -4.251 -7.299 1.00 0.00 H ATOM 115 1HD PRO A 8 10.038 -1.978 -9.301 1.00 0.00 H ATOM 116 2HD PRO A 8 8.755 -3.081 -8.727 1.00 0.00 H ATOM 117 N LEU A 9 11.357 0.471 -7.550 1.00 0.00 N ATOM 118 CA LEU A 9 11.721 1.877 -7.663 1.00 0.00 C ATOM 119 C LEU A 9 10.928 2.501 -8.820 1.00 0.00 C ATOM 120 O LEU A 9 11.452 3.321 -9.571 1.00 0.00 O ATOM 121 CB LEU A 9 13.244 1.980 -7.857 1.00 0.00 C ATOM 122 CG LEU A 9 13.813 3.356 -7.473 1.00 0.00 C ATOM 123 CD1 LEU A 9 13.986 3.473 -5.953 1.00 0.00 C ATOM 124 CD2 LEU A 9 15.174 3.560 -8.147 1.00 0.00 C ATOM 125 H LEU A 9 11.120 -0.013 -8.404 1.00 0.00 H ATOM 126 HA LEU A 9 11.428 2.394 -6.750 1.00 0.00 H ATOM 127 1HB LEU A 9 13.743 1.229 -7.241 1.00 0.00 H ATOM 128 2HB LEU A 9 13.475 1.757 -8.900 1.00 0.00 H ATOM 129 HG LEU A 9 13.145 4.146 -7.816 1.00 0.00 H ATOM 130 1HD1 LEU A 9 13.041 3.298 -5.441 1.00 0.00 H ATOM 131 2HD1 LEU A 9 14.714 2.741 -5.602 1.00 0.00 H ATOM 132 3HD1 LEU A 9 14.340 4.473 -5.701 1.00 0.00 H ATOM 133 1HD2 LEU A 9 15.865 2.774 -7.840 1.00 0.00 H ATOM 134 2HD2 LEU A 9 15.058 3.533 -9.231 1.00 0.00 H ATOM 135 3HD2 LEU A 9 15.585 4.529 -7.863 1.00 0.00 H ATOM 136 N THR A 10 9.675 2.060 -8.991 1.00 0.00 N ATOM 137 CA THR A 10 8.822 2.387 -10.125 1.00 0.00 C ATOM 138 C THR A 10 7.393 2.604 -9.634 1.00 0.00 C ATOM 139 O THR A 10 6.917 1.839 -8.798 1.00 0.00 O ATOM 140 CB THR A 10 8.857 1.234 -11.140 1.00 0.00 C ATOM 141 OG1 THR A 10 8.620 0.000 -10.488 1.00 0.00 O ATOM 142 CG2 THR A 10 10.202 1.156 -11.867 1.00 0.00 C ATOM 143 H THR A 10 9.298 1.401 -8.326 1.00 0.00 H ATOM 144 HA THR A 10 9.163 3.304 -10.609 1.00 0.00 H ATOM 145 HB THR A 10 8.075 1.396 -11.884 1.00 0.00 H ATOM 146 HG1 THR A 10 7.866 0.093 -9.898 1.00 0.00 H ATOM 147 1HG2 THR A 10 11.002 0.915 -11.167 1.00 0.00 H ATOM 148 2HG2 THR A 10 10.157 0.377 -12.628 1.00 0.00 H ATOM 149 3HG2 THR A 10 10.420 2.109 -12.349 1.00 0.00 H ATOM 150 N TRP A 11 6.697 3.611 -10.175 1.00 0.00 N ATOM 151 CA TRP A 11 5.297 3.849 -9.858 1.00 0.00 C ATOM 152 C TRP A 11 4.424 2.793 -10.538 1.00 0.00 C ATOM 153 O TRP A 11 4.101 2.917 -11.719 1.00 0.00 O ATOM 154 CB TRP A 11 4.890 5.271 -10.262 1.00 0.00 C ATOM 155 CG TRP A 11 3.471 5.626 -9.932 1.00 0.00 C ATOM 156 CD1 TRP A 11 2.513 5.950 -10.829 1.00 0.00 C ATOM 157 CD2 TRP A 11 2.817 5.659 -8.627 1.00 0.00 C ATOM 158 NE1 TRP A 11 1.320 6.191 -10.179 1.00 0.00 N ATOM 159 CE2 TRP A 11 1.450 6.017 -8.816 1.00 0.00 C ATOM 160 CE3 TRP A 11 3.238 5.425 -7.300 1.00 0.00 C ATOM 161 CZ2 TRP A 11 0.547 6.125 -7.748 1.00 0.00 C ATOM 162 CZ3 TRP A 11 2.339 5.523 -6.221 1.00 0.00 C ATOM 163 CH2 TRP A 11 0.995 5.867 -6.443 1.00 0.00 C ATOM 164 H TRP A 11 7.133 4.202 -10.866 1.00 0.00 H ATOM 165 HA TRP A 11 5.165 3.773 -8.781 1.00 0.00 H ATOM 166 1HB TRP A 11 5.536 5.979 -9.743 1.00 0.00 H ATOM 167 2HB TRP A 11 5.051 5.397 -11.334 1.00 0.00 H ATOM 168 HD1 TRP A 11 2.655 6.007 -11.898 1.00 0.00 H ATOM 169 HE1 TRP A 11 0.451 6.451 -10.623 1.00 0.00 H ATOM 170 HE3 TRP A 11 4.268 5.171 -7.107 1.00 0.00 H ATOM 171 HZ2 TRP A 11 -0.482 6.400 -7.928 1.00 0.00 H ATOM 172 HZ3 TRP A 11 2.686 5.340 -5.215 1.00 0.00 H ATOM 173 HH2 TRP A 11 0.310 5.939 -5.611 1.00 0.00 H ATOM 174 N VAL A 12 4.038 1.765 -9.777 1.00 0.00 N ATOM 175 CA VAL A 12 3.165 0.690 -10.219 1.00 0.00 C ATOM 176 C VAL A 12 1.767 1.010 -9.699 1.00 0.00 C ATOM 177 O VAL A 12 1.498 0.842 -8.511 1.00 0.00 O ATOM 178 CB VAL A 12 3.692 -0.658 -9.696 1.00 0.00 C ATOM 179 CG1 VAL A 12 2.712 -1.803 -9.988 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.038 -0.990 -10.351 1.00 0.00 C ATOM 181 H VAL A 12 4.327 1.750 -8.807 1.00 0.00 H ATOM 182 HA VAL A 12 3.141 0.636 -11.309 1.00 0.00 H ATOM 183 HB VAL A 12 3.841 -0.589 -8.618 1.00 0.00 H ATOM 184 1HG1 VAL A 12 2.488 -1.841 -11.054 1.00 0.00 H ATOM 185 2HG1 VAL A 12 3.159 -2.750 -9.686 1.00 0.00 H ATOM 186 3HG1 VAL A 12 1.783 -1.672 -9.431 1.00 0.00 H ATOM 187 1HG2 VAL A 12 5.762 -0.204 -10.148 1.00 0.00 H ATOM 188 2HG2 VAL A 12 5.422 -1.929 -9.950 1.00 0.00 H ATOM 189 3HG2 VAL A 12 4.915 -1.088 -11.430 1.00 0.00 H ATOM 190 N CYS A 13 0.901 1.498 -10.596 1.00 0.00 N ATOM 191 CA CYS A 13 -0.485 1.850 -10.319 1.00 0.00 C ATOM 192 C CYS A 13 -1.344 1.417 -11.504 1.00 0.00 C ATOM 193 O CYS A 13 -1.960 2.241 -12.177 1.00 0.00 O ATOM 194 CB CYS A 13 -0.557 3.351 -10.008 1.00 0.00 C ATOM 195 SG CYS A 13 -2.169 4.080 -9.591 1.00 0.00 S ATOM 196 H CYS A 13 1.223 1.626 -11.544 1.00 0.00 H ATOM 197 HA CYS A 13 -0.847 1.289 -9.462 1.00 0.00 H ATOM 198 1HB CYS A 13 0.105 3.541 -9.163 1.00 0.00 H ATOM 199 2HB CYS A 13 -0.166 3.898 -10.866 1.00 0.00 H ATOM 200 N LYS A 14 -1.354 0.103 -11.757 1.00 0.00 N ATOM 201 CA LYS A 14 -2.139 -0.542 -12.799 1.00 0.00 C ATOM 202 C LYS A 14 -2.691 -1.861 -12.245 1.00 0.00 C ATOM 203 O LYS A 14 -2.029 -2.489 -11.417 1.00 0.00 O ATOM 204 CB LYS A 14 -1.262 -0.799 -14.033 1.00 0.00 C ATOM 205 CG LYS A 14 -0.807 0.503 -14.702 1.00 0.00 C ATOM 206 CD LYS A 14 -0.042 0.196 -15.995 1.00 0.00 C ATOM 207 CE LYS A 14 0.515 1.470 -16.642 1.00 0.00 C ATOM 208 NZ LYS A 14 -0.555 2.388 -17.069 1.00 0.00 N ATOM 209 H LYS A 14 -0.821 -0.507 -11.153 1.00 0.00 H ATOM 210 HA LYS A 14 -2.963 0.114 -13.078 1.00 0.00 H ATOM 211 1HB LYS A 14 -0.383 -1.375 -13.741 1.00 0.00 H ATOM 212 2HB LYS A 14 -1.835 -1.380 -14.757 1.00 0.00 H ATOM 213 1HG LYS A 14 -1.683 1.113 -14.926 1.00 0.00 H ATOM 214 2HG LYS A 14 -0.151 1.053 -14.027 1.00 0.00 H ATOM 215 1HD LYS A 14 0.794 -0.466 -15.764 1.00 0.00 H ATOM 216 2HD LYS A 14 -0.703 -0.310 -16.701 1.00 0.00 H ATOM 217 1HE LYS A 14 1.168 1.984 -15.936 1.00 0.00 H ATOM 218 2HE LYS A 14 1.101 1.191 -17.519 1.00 0.00 H ATOM 219 1HZ LYS A 14 -1.164 1.917 -17.722 1.00 0.00 H ATOM 220 2HZ LYS A 14 -1.089 2.684 -16.264 1.00 0.00 H ATOM 221 3HZ LYS A 14 -0.146 3.197 -17.514 1.00 0.00 H ATOM 222 N PRO A 15 -3.882 -2.302 -12.685 1.00 0.00 N ATOM 223 CA PRO A 15 -4.496 -3.541 -12.236 1.00 0.00 C ATOM 224 C PRO A 15 -3.857 -4.735 -12.957 1.00 0.00 C ATOM 225 O PRO A 15 -4.477 -5.351 -13.822 1.00 0.00 O ATOM 226 CB PRO A 15 -5.984 -3.376 -12.562 1.00 0.00 C ATOM 227 CG PRO A 15 -5.959 -2.528 -13.833 1.00 0.00 C ATOM 228 CD PRO A 15 -4.776 -1.590 -13.587 1.00 0.00 C ATOM 229 HA PRO A 15 -4.381 -3.662 -11.159 1.00 0.00 H ATOM 230 1HB PRO A 15 -6.511 -4.322 -12.694 1.00 0.00 H ATOM 231 2HB PRO A 15 -6.460 -2.802 -11.766 1.00 0.00 H ATOM 232 1HG PRO A 15 -5.749 -3.163 -14.696 1.00 0.00 H ATOM 233 2HG PRO A 15 -6.892 -1.985 -13.986 1.00 0.00 H ATOM 234 1HD PRO A 15 -4.291 -1.338 -14.530 1.00 0.00 H ATOM 235 2HD PRO A 15 -5.139 -0.686 -13.096 1.00 0.00 H ATOM 236 N GLN A 16 -2.610 -5.056 -12.589 1.00 0.00 N ATOM 237 CA GLN A 16 -1.833 -6.151 -13.161 1.00 0.00 C ATOM 238 C GLN A 16 -1.197 -7.033 -12.083 1.00 0.00 C ATOM 239 O GLN A 16 -0.877 -8.189 -12.347 1.00 0.00 O ATOM 240 CB GLN A 16 -0.809 -5.609 -14.174 1.00 0.00 C ATOM 241 CG GLN A 16 0.134 -4.514 -13.648 1.00 0.00 C ATOM 242 CD GLN A 16 1.115 -4.995 -12.582 1.00 0.00 C ATOM 243 OE1 GLN A 16 1.139 -4.466 -11.474 1.00 0.00 O ATOM 244 NE2 GLN A 16 1.930 -5.999 -12.909 1.00 0.00 N ATOM 245 H GLN A 16 -2.161 -4.471 -11.896 1.00 0.00 H ATOM 246 HA GLN A 16 -2.498 -6.812 -13.719 1.00 0.00 H ATOM 247 1HB GLN A 16 -0.224 -6.439 -14.570 1.00 0.00 H ATOM 248 2HB GLN A 16 -1.371 -5.177 -15.004 1.00 0.00 H ATOM 249 1HG GLN A 16 0.714 -4.131 -14.488 1.00 0.00 H ATOM 250 2HG GLN A 16 -0.453 -3.690 -13.246 1.00 0.00 H ATOM 251 1HE2 GLN A 16 1.883 -6.412 -13.829 1.00 0.00 H ATOM 252 2HE2 GLN A 16 2.593 -6.345 -12.230 1.00 0.00 H HETATM 253 N NH2 A 17 -1.017 -6.517 -10.865 1.00 0.00 N HETATM 254 1HN NH2 A 17 -1.266 -5.558 -10.671 1.00 0.00 H HETATM 255 2HN NH2 A 17 -0.612 -7.092 -10.142 1.00 0.00 H TER 256 NH2 A 17 ENDMDL MODEL 8 ATOM 1 N THR A 1 -7.623 -1.621 -3.110 1.00 0.00 N ATOM 2 CA THR A 1 -7.706 -2.856 -3.911 1.00 0.00 C ATOM 3 C THR A 1 -6.487 -3.000 -4.822 1.00 0.00 C ATOM 4 O THR A 1 -5.714 -3.945 -4.677 1.00 0.00 O ATOM 5 CB THR A 1 -9.026 -2.916 -4.699 1.00 0.00 C ATOM 6 OG1 THR A 1 -10.115 -2.787 -3.808 1.00 0.00 O ATOM 7 CG2 THR A 1 -9.181 -4.239 -5.458 1.00 0.00 C ATOM 8 1H THR A 1 -7.639 -0.817 -3.721 1.00 0.00 H ATOM 9 2H THR A 1 -8.409 -1.579 -2.476 1.00 0.00 H ATOM 10 3H THR A 1 -6.764 -1.622 -2.580 1.00 0.00 H ATOM 11 HA THR A 1 -7.701 -3.689 -3.207 1.00 0.00 H ATOM 12 HB THR A 1 -9.071 -2.093 -5.414 1.00 0.00 H ATOM 13 HG1 THR A 1 -10.094 -1.911 -3.416 1.00 0.00 H ATOM 14 1HG2 THR A 1 -10.145 -4.252 -5.967 1.00 0.00 H ATOM 15 2HG2 THR A 1 -8.393 -4.350 -6.202 1.00 0.00 H ATOM 16 3HG2 THR A 1 -9.139 -5.075 -4.760 1.00 0.00 H ATOM 17 N TYR A 2 -6.319 -2.054 -5.754 1.00 0.00 N ATOM 18 CA TYR A 2 -5.224 -2.037 -6.715 1.00 0.00 C ATOM 19 C TYR A 2 -3.886 -1.824 -6.001 1.00 0.00 C ATOM 20 O TYR A 2 -3.842 -1.348 -4.867 1.00 0.00 O ATOM 21 CB TYR A 2 -5.461 -0.926 -7.751 1.00 0.00 C ATOM 22 CG TYR A 2 -6.369 -1.270 -8.922 1.00 0.00 C ATOM 23 CD1 TYR A 2 -7.554 -2.011 -8.741 1.00 0.00 C ATOM 24 CD2 TYR A 2 -6.023 -0.824 -10.214 1.00 0.00 C ATOM 25 CE1 TYR A 2 -8.360 -2.338 -9.845 1.00 0.00 C ATOM 26 CE2 TYR A 2 -6.830 -1.151 -11.317 1.00 0.00 C ATOM 27 CZ TYR A 2 -7.995 -1.913 -11.134 1.00 0.00 C ATOM 28 OH TYR A 2 -8.770 -2.239 -12.209 1.00 0.00 O ATOM 29 H TYR A 2 -6.984 -1.296 -5.798 1.00 0.00 H ATOM 30 HA TYR A 2 -5.184 -2.999 -7.230 1.00 0.00 H ATOM 31 1HB TYR A 2 -5.848 -0.037 -7.251 1.00 0.00 H ATOM 32 2HB TYR A 2 -4.492 -0.664 -8.173 1.00 0.00 H ATOM 33 HD1 TYR A 2 -7.863 -2.340 -7.762 1.00 0.00 H ATOM 34 HD2 TYR A 2 -5.131 -0.235 -10.368 1.00 0.00 H ATOM 35 HE1 TYR A 2 -9.260 -2.917 -9.697 1.00 0.00 H ATOM 36 HE2 TYR A 2 -6.550 -0.817 -12.305 1.00 0.00 H ATOM 37 HH TYR A 2 -9.546 -2.753 -11.976 1.00 0.00 H ATOM 38 N SER A 3 -2.790 -2.150 -6.695 1.00 0.00 N ATOM 39 CA SER A 3 -1.435 -2.053 -6.173 1.00 0.00 C ATOM 40 C SER A 3 -0.820 -0.751 -6.683 1.00 0.00 C ATOM 41 O SER A 3 0.101 -0.773 -7.498 1.00 0.00 O ATOM 42 CB SER A 3 -0.641 -3.287 -6.622 1.00 0.00 C ATOM 43 OG SER A 3 0.675 -3.241 -6.112 1.00 0.00 O ATOM 44 H SER A 3 -2.903 -2.493 -7.640 1.00 0.00 H ATOM 45 HA SER A 3 -1.440 -2.040 -5.082 1.00 0.00 H ATOM 46 1HB SER A 3 -1.128 -4.189 -6.249 1.00 0.00 H ATOM 47 2HB SER A 3 -0.603 -3.330 -7.710 1.00 0.00 H ATOM 48 HG SER A 3 1.075 -2.406 -6.377 1.00 0.00 H ATOM 49 N CYS A 4 -1.356 0.375 -6.196 1.00 0.00 N ATOM 50 CA CYS A 4 -0.971 1.730 -6.569 1.00 0.00 C ATOM 51 C CYS A 4 -0.042 2.303 -5.507 1.00 0.00 C ATOM 52 O CYS A 4 -0.479 2.980 -4.579 1.00 0.00 O ATOM 53 CB CYS A 4 -2.231 2.554 -6.844 1.00 0.00 C ATOM 54 SG CYS A 4 -3.168 1.886 -8.250 1.00 0.00 S ATOM 55 H CYS A 4 -2.108 0.282 -5.527 1.00 0.00 H ATOM 56 HA CYS A 4 -0.408 1.735 -7.491 1.00 0.00 H ATOM 57 1HB CYS A 4 -2.870 2.529 -5.960 1.00 0.00 H ATOM 58 2HB CYS A 4 -1.965 3.590 -7.050 1.00 0.00 H ATOM 59 N HIS A 5 1.248 1.982 -5.659 1.00 0.00 N ATOM 60 CA HIS A 5 2.316 2.284 -4.720 1.00 0.00 C ATOM 61 C HIS A 5 3.577 2.697 -5.481 1.00 0.00 C ATOM 62 O HIS A 5 3.687 2.463 -6.685 1.00 0.00 O ATOM 63 CB HIS A 5 2.600 1.035 -3.873 1.00 0.00 C ATOM 64 CG HIS A 5 3.264 -0.072 -4.658 1.00 0.00 C ATOM 65 ND1 HIS A 5 2.596 -0.755 -5.676 1.00 0.00 N ATOM 66 CD2 HIS A 5 4.556 -0.522 -4.599 1.00 0.00 C ATOM 67 CE1 HIS A 5 3.514 -1.571 -6.200 1.00 0.00 C ATOM 68 NE2 HIS A 5 4.704 -1.473 -5.586 1.00 0.00 N ATOM 69 H HIS A 5 1.512 1.444 -6.476 1.00 0.00 H ATOM 70 HA HIS A 5 2.015 3.101 -4.063 1.00 0.00 H ATOM 71 1HB HIS A 5 3.259 1.313 -3.050 1.00 0.00 H ATOM 72 2HB HIS A 5 1.667 0.662 -3.448 1.00 0.00 H ATOM 73 HD2 HIS A 5 5.327 -0.168 -3.930 1.00 0.00 H ATOM 74 HE1 HIS A 5 3.320 -2.239 -7.026 1.00 0.00 H ATOM 75 HE2 HIS A 5 5.550 -1.977 -5.812 1.00 0.00 H ATOM 76 N PHE A 6 4.548 3.271 -4.760 1.00 0.00 N ATOM 77 CA PHE A 6 5.876 3.519 -5.296 1.00 0.00 C ATOM 78 C PHE A 6 6.765 2.320 -4.977 1.00 0.00 C ATOM 79 O PHE A 6 7.161 2.129 -3.828 1.00 0.00 O ATOM 80 CB PHE A 6 6.462 4.828 -4.758 1.00 0.00 C ATOM 81 CG PHE A 6 7.708 5.242 -5.519 1.00 0.00 C ATOM 82 CD1 PHE A 6 7.581 5.934 -6.738 1.00 0.00 C ATOM 83 CD2 PHE A 6 8.972 4.777 -5.110 1.00 0.00 C ATOM 84 CE1 PHE A 6 8.713 6.178 -7.534 1.00 0.00 C ATOM 85 CE2 PHE A 6 10.104 5.019 -5.908 1.00 0.00 C ATOM 86 CZ PHE A 6 9.975 5.723 -7.118 1.00 0.00 C ATOM 87 H PHE A 6 4.400 3.431 -3.774 1.00 0.00 H ATOM 88 HA PHE A 6 5.815 3.634 -6.374 1.00 0.00 H ATOM 89 1HB PHE A 6 5.717 5.618 -4.863 1.00 0.00 H ATOM 90 2HB PHE A 6 6.690 4.727 -3.696 1.00 0.00 H ATOM 91 HD1 PHE A 6 6.612 6.270 -7.076 1.00 0.00 H ATOM 92 HD2 PHE A 6 9.077 4.216 -4.193 1.00 0.00 H ATOM 93 HE1 PHE A 6 8.613 6.712 -8.468 1.00 0.00 H ATOM 94 HE2 PHE A 6 11.072 4.653 -5.597 1.00 0.00 H ATOM 95 HZ PHE A 6 10.846 5.905 -7.731 1.00 0.00 H ATOM 96 N GLY A 7 7.069 1.512 -5.996 1.00 0.00 N ATOM 97 CA GLY A 7 7.940 0.358 -5.875 1.00 0.00 C ATOM 98 C GLY A 7 7.719 -0.590 -7.056 1.00 0.00 C ATOM 99 O GLY A 7 6.684 -0.506 -7.714 1.00 0.00 O ATOM 100 H GLY A 7 6.721 1.725 -6.922 1.00 0.00 H ATOM 101 1HA GLY A 7 8.962 0.731 -5.856 1.00 0.00 H ATOM 102 2HA GLY A 7 7.734 -0.179 -4.949 1.00 0.00 H ATOM 103 N PRO A 8 8.658 -1.509 -7.330 1.00 0.00 N ATOM 104 CA PRO A 8 9.883 -1.736 -6.577 1.00 0.00 C ATOM 105 C PRO A 8 10.925 -0.646 -6.846 1.00 0.00 C ATOM 106 O PRO A 8 11.590 -0.200 -5.914 1.00 0.00 O ATOM 107 CB PRO A 8 10.378 -3.114 -7.026 1.00 0.00 C ATOM 108 CG PRO A 8 9.849 -3.240 -8.455 1.00 0.00 C ATOM 109 CD PRO A 8 8.521 -2.484 -8.399 1.00 0.00 C ATOM 110 HA PRO A 8 9.673 -1.772 -5.506 1.00 0.00 H ATOM 111 1HB PRO A 8 11.463 -3.213 -6.974 1.00 0.00 H ATOM 112 2HB PRO A 8 9.906 -3.880 -6.408 1.00 0.00 H ATOM 113 1HG PRO A 8 10.531 -2.741 -9.144 1.00 0.00 H ATOM 114 2HG PRO A 8 9.717 -4.281 -8.754 1.00 0.00 H ATOM 115 1HD PRO A 8 8.314 -2.003 -9.356 1.00 0.00 H ATOM 116 2HD PRO A 8 7.715 -3.175 -8.149 1.00 0.00 H ATOM 117 N LEU A 9 11.050 -0.213 -8.108 1.00 0.00 N ATOM 118 CA LEU A 9 11.966 0.836 -8.534 1.00 0.00 C ATOM 119 C LEU A 9 11.188 2.128 -8.786 1.00 0.00 C ATOM 120 O LEU A 9 11.509 3.161 -8.203 1.00 0.00 O ATOM 121 CB LEU A 9 12.719 0.365 -9.788 1.00 0.00 C ATOM 122 CG LEU A 9 13.723 1.393 -10.339 1.00 0.00 C ATOM 123 CD1 LEU A 9 14.851 1.693 -9.344 1.00 0.00 C ATOM 124 CD2 LEU A 9 14.329 0.853 -11.639 1.00 0.00 C ATOM 125 H LEU A 9 10.457 -0.622 -8.815 1.00 0.00 H ATOM 126 HA LEU A 9 12.699 1.019 -7.748 1.00 0.00 H ATOM 127 1HB LEU A 9 13.256 -0.554 -9.546 1.00 0.00 H ATOM 128 2HB LEU A 9 11.992 0.135 -10.568 1.00 0.00 H ATOM 129 HG LEU A 9 13.210 2.326 -10.573 1.00 0.00 H ATOM 130 1HD1 LEU A 9 15.333 0.766 -9.032 1.00 0.00 H ATOM 131 2HD1 LEU A 9 15.592 2.339 -9.814 1.00 0.00 H ATOM 132 3HD1 LEU A 9 14.459 2.210 -8.468 1.00 0.00 H ATOM 133 1HD2 LEU A 9 13.538 0.664 -12.366 1.00 0.00 H ATOM 134 2HD2 LEU A 9 15.020 1.585 -12.058 1.00 0.00 H ATOM 135 3HD2 LEU A 9 14.866 -0.076 -11.445 1.00 0.00 H ATOM 136 N THR A 10 10.184 2.063 -9.669 1.00 0.00 N ATOM 137 CA THR A 10 9.380 3.197 -10.108 1.00 0.00 C ATOM 138 C THR A 10 7.977 3.119 -9.499 1.00 0.00 C ATOM 139 O THR A 10 7.670 2.205 -8.736 1.00 0.00 O ATOM 140 CB THR A 10 9.307 3.185 -11.646 1.00 0.00 C ATOM 141 OG1 THR A 10 8.659 2.011 -12.096 1.00 0.00 O ATOM 142 CG2 THR A 10 10.699 3.263 -12.282 1.00 0.00 C ATOM 143 H THR A 10 9.977 1.174 -10.101 1.00 0.00 H ATOM 144 HA THR A 10 9.838 4.136 -9.795 1.00 0.00 H ATOM 145 HB THR A 10 8.740 4.050 -11.992 1.00 0.00 H ATOM 146 HG1 THR A 10 7.734 2.047 -11.838 1.00 0.00 H ATOM 147 1HG2 THR A 10 11.267 2.357 -12.073 1.00 0.00 H ATOM 148 2HG2 THR A 10 10.596 3.367 -13.362 1.00 0.00 H ATOM 149 3HG2 THR A 10 11.238 4.127 -11.892 1.00 0.00 H ATOM 150 N TRP A 11 7.109 4.064 -9.879 1.00 0.00 N ATOM 151 CA TRP A 11 5.692 4.001 -9.568 1.00 0.00 C ATOM 152 C TRP A 11 5.053 2.836 -10.326 1.00 0.00 C ATOM 153 O TRP A 11 5.376 2.609 -11.492 1.00 0.00 O ATOM 154 CB TRP A 11 5.014 5.323 -9.935 1.00 0.00 C ATOM 155 CG TRP A 11 3.534 5.343 -9.703 1.00 0.00 C ATOM 156 CD1 TRP A 11 2.589 5.208 -10.659 1.00 0.00 C ATOM 157 CD2 TRP A 11 2.809 5.446 -8.441 1.00 0.00 C ATOM 158 NE1 TRP A 11 1.334 5.230 -10.088 1.00 0.00 N ATOM 159 CE2 TRP A 11 1.413 5.365 -8.717 1.00 0.00 C ATOM 160 CE3 TRP A 11 3.186 5.603 -7.090 1.00 0.00 C ATOM 161 CZ2 TRP A 11 0.443 5.429 -7.705 1.00 0.00 C ATOM 162 CZ3 TRP A 11 2.222 5.663 -6.067 1.00 0.00 C ATOM 163 CH2 TRP A 11 0.853 5.572 -6.371 1.00 0.00 C ATOM 164 H TRP A 11 7.420 4.801 -10.495 1.00 0.00 H ATOM 165 HA TRP A 11 5.569 3.844 -8.500 1.00 0.00 H ATOM 166 1HB TRP A 11 5.462 6.123 -9.346 1.00 0.00 H ATOM 167 2HB TRP A 11 5.204 5.535 -10.989 1.00 0.00 H ATOM 168 HD1 TRP A 11 2.784 5.088 -11.715 1.00 0.00 H ATOM 169 HE1 TRP A 11 0.460 5.150 -10.587 1.00 0.00 H ATOM 170 HE3 TRP A 11 4.233 5.675 -6.840 1.00 0.00 H ATOM 171 HZ2 TRP A 11 -0.607 5.377 -7.953 1.00 0.00 H ATOM 172 HZ3 TRP A 11 2.536 5.779 -5.040 1.00 0.00 H ATOM 173 HH2 TRP A 11 0.118 5.620 -5.581 1.00 0.00 H ATOM 174 N VAL A 12 4.149 2.110 -9.658 1.00 0.00 N ATOM 175 CA VAL A 12 3.376 1.018 -10.233 1.00 0.00 C ATOM 176 C VAL A 12 1.947 1.143 -9.707 1.00 0.00 C ATOM 177 O VAL A 12 1.753 1.224 -8.497 1.00 0.00 O ATOM 178 CB VAL A 12 4.009 -0.334 -9.852 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.103 -1.509 -10.246 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.369 -0.517 -10.540 1.00 0.00 C ATOM 181 H VAL A 12 3.947 2.348 -8.694 1.00 0.00 H ATOM 182 HA VAL A 12 3.356 1.103 -11.321 1.00 0.00 H ATOM 183 HB VAL A 12 4.157 -0.366 -8.772 1.00 0.00 H ATOM 184 1HG1 VAL A 12 2.861 -1.456 -11.307 1.00 0.00 H ATOM 185 2HG1 VAL A 12 3.614 -2.451 -10.043 1.00 0.00 H ATOM 186 3HG1 VAL A 12 2.183 -1.491 -9.663 1.00 0.00 H ATOM 187 1HG2 VAL A 12 5.251 -0.462 -11.623 1.00 0.00 H ATOM 188 2HG2 VAL A 12 6.071 0.251 -10.218 1.00 0.00 H ATOM 189 3HG2 VAL A 12 5.786 -1.491 -10.279 1.00 0.00 H ATOM 190 N CYS A 13 0.962 1.171 -10.617 1.00 0.00 N ATOM 191 CA CYS A 13 -0.460 1.215 -10.300 1.00 0.00 C ATOM 192 C CYS A 13 -1.217 0.323 -11.276 1.00 0.00 C ATOM 193 O CYS A 13 -1.445 0.701 -12.424 1.00 0.00 O ATOM 194 CB CYS A 13 -0.931 2.673 -10.269 1.00 0.00 C ATOM 195 SG CYS A 13 -2.670 3.023 -9.876 1.00 0.00 S ATOM 196 H CYS A 13 1.208 1.112 -11.595 1.00 0.00 H ATOM 197 HA CYS A 13 -0.622 0.785 -9.321 1.00 0.00 H ATOM 198 1HB CYS A 13 -0.340 3.179 -9.507 1.00 0.00 H ATOM 199 2HB CYS A 13 -0.711 3.137 -11.231 1.00 0.00 H ATOM 200 N LYS A 14 -1.555 -0.884 -10.807 1.00 0.00 N ATOM 201 CA LYS A 14 -2.106 -1.977 -11.594 1.00 0.00 C ATOM 202 C LYS A 14 -3.198 -2.693 -10.787 1.00 0.00 C ATOM 203 O LYS A 14 -3.229 -2.548 -9.564 1.00 0.00 O ATOM 204 CB LYS A 14 -0.959 -2.934 -11.962 1.00 0.00 C ATOM 205 CG LYS A 14 -0.282 -3.539 -10.723 1.00 0.00 C ATOM 206 CD LYS A 14 0.840 -4.502 -11.126 1.00 0.00 C ATOM 207 CE LYS A 14 1.533 -5.097 -9.894 1.00 0.00 C ATOM 208 NZ LYS A 14 0.625 -5.944 -9.101 1.00 0.00 N ATOM 209 H LYS A 14 -1.356 -1.093 -9.839 1.00 0.00 H ATOM 210 HA LYS A 14 -2.534 -1.570 -12.510 1.00 0.00 H ATOM 211 1HB LYS A 14 -1.339 -3.742 -12.585 1.00 0.00 H ATOM 212 2HB LYS A 14 -0.214 -2.383 -12.539 1.00 0.00 H ATOM 213 1HG LYS A 14 0.141 -2.748 -10.105 1.00 0.00 H ATOM 214 2HG LYS A 14 -1.021 -4.086 -10.140 1.00 0.00 H ATOM 215 1HD LYS A 14 0.430 -5.309 -11.735 1.00 0.00 H ATOM 216 2HD LYS A 14 1.579 -3.959 -11.716 1.00 0.00 H ATOM 217 1HE LYS A 14 2.373 -5.708 -10.225 1.00 0.00 H ATOM 218 2HE LYS A 14 1.913 -4.294 -9.262 1.00 0.00 H ATOM 219 1HZ LYS A 14 0.268 -6.691 -9.679 1.00 0.00 H ATOM 220 2HZ LYS A 14 1.129 -6.337 -8.319 1.00 0.00 H ATOM 221 3HZ LYS A 14 -0.145 -5.390 -8.756 1.00 0.00 H ATOM 222 N PRO A 15 -4.070 -3.493 -11.430 1.00 0.00 N ATOM 223 CA PRO A 15 -5.020 -4.364 -10.749 1.00 0.00 C ATOM 224 C PRO A 15 -4.360 -5.256 -9.695 1.00 0.00 C ATOM 225 O PRO A 15 -3.172 -5.563 -9.788 1.00 0.00 O ATOM 226 CB PRO A 15 -5.676 -5.205 -11.847 1.00 0.00 C ATOM 227 CG PRO A 15 -5.575 -4.308 -13.077 1.00 0.00 C ATOM 228 CD PRO A 15 -4.233 -3.608 -12.872 1.00 0.00 C ATOM 229 HA PRO A 15 -5.779 -3.742 -10.278 1.00 0.00 H ATOM 230 1HB PRO A 15 -5.091 -6.110 -12.023 1.00 0.00 H ATOM 231 2HB PRO A 15 -6.708 -5.465 -11.608 1.00 0.00 H ATOM 232 1HG PRO A 15 -5.610 -4.875 -14.008 1.00 0.00 H ATOM 233 2HG PRO A 15 -6.378 -3.571 -13.055 1.00 0.00 H ATOM 234 1HD PRO A 15 -3.439 -4.231 -13.285 1.00 0.00 H ATOM 235 2HD PRO A 15 -4.254 -2.639 -13.370 1.00 0.00 H ATOM 236 N GLN A 16 -5.145 -5.671 -8.695 1.00 0.00 N ATOM 237 CA GLN A 16 -4.675 -6.476 -7.575 1.00 0.00 C ATOM 238 C GLN A 16 -4.043 -7.785 -8.059 1.00 0.00 C ATOM 239 O GLN A 16 -2.916 -8.105 -7.689 1.00 0.00 O ATOM 240 CB GLN A 16 -5.843 -6.735 -6.616 1.00 0.00 C ATOM 241 CG GLN A 16 -5.364 -7.396 -5.318 1.00 0.00 C ATOM 242 CD GLN A 16 -6.505 -7.544 -4.316 1.00 0.00 C ATOM 243 OE1 GLN A 16 -7.043 -8.634 -4.137 1.00 0.00 O ATOM 244 NE2 GLN A 16 -6.874 -6.446 -3.656 1.00 0.00 N ATOM 245 H GLN A 16 -6.113 -5.385 -8.689 1.00 0.00 H ATOM 246 HA GLN A 16 -3.919 -5.895 -7.043 1.00 0.00 H ATOM 247 1HB GLN A 16 -6.314 -5.782 -6.376 1.00 0.00 H ATOM 248 2HB GLN A 16 -6.587 -7.373 -7.095 1.00 0.00 H ATOM 249 1HG GLN A 16 -4.960 -8.385 -5.538 1.00 0.00 H ATOM 250 2HG GLN A 16 -4.576 -6.791 -4.869 1.00 0.00 H ATOM 251 1HE2 GLN A 16 -6.404 -5.569 -3.841 1.00 0.00 H ATOM 252 2HE2 GLN A 16 -7.621 -6.495 -2.978 1.00 0.00 H HETATM 253 N NH2 A 17 -4.765 -8.544 -8.885 1.00 0.00 N HETATM 254 1HN NH2 A 17 -4.383 -9.414 -9.228 1.00 0.00 H HETATM 255 2HN NH2 A 17 -5.686 -8.243 -9.170 1.00 0.00 H TER 256 NH2 A 17 ENDMDL MODEL 9 ATOM 1 N THR A 1 -7.054 -4.144 -4.099 1.00 0.00 N ATOM 2 CA THR A 1 -7.773 -3.937 -5.369 1.00 0.00 C ATOM 3 C THR A 1 -7.062 -2.889 -6.229 1.00 0.00 C ATOM 4 O THR A 1 -6.131 -3.224 -6.959 1.00 0.00 O ATOM 5 CB THR A 1 -9.261 -3.617 -5.132 1.00 0.00 C ATOM 6 OG1 THR A 1 -9.408 -2.515 -4.257 1.00 0.00 O ATOM 7 CG2 THR A 1 -10.008 -4.820 -4.547 1.00 0.00 C ATOM 8 1H THR A 1 -7.085 -3.293 -3.556 1.00 0.00 H ATOM 9 2H THR A 1 -7.486 -4.894 -3.580 1.00 0.00 H ATOM 10 3H THR A 1 -6.092 -4.381 -4.296 1.00 0.00 H ATOM 11 HA THR A 1 -7.731 -4.872 -5.927 1.00 0.00 H ATOM 12 HB THR A 1 -9.729 -3.371 -6.085 1.00 0.00 H ATOM 13 HG1 THR A 1 -9.091 -2.768 -3.387 1.00 0.00 H ATOM 14 1HG2 THR A 1 -11.065 -4.571 -4.441 1.00 0.00 H ATOM 15 2HG2 THR A 1 -9.914 -5.676 -5.216 1.00 0.00 H ATOM 16 3HG2 THR A 1 -9.608 -5.083 -3.568 1.00 0.00 H ATOM 17 N TYR A 2 -7.489 -1.626 -6.136 1.00 0.00 N ATOM 18 CA TYR A 2 -6.937 -0.522 -6.904 1.00 0.00 C ATOM 19 C TYR A 2 -5.701 0.011 -6.182 1.00 0.00 C ATOM 20 O TYR A 2 -5.744 1.065 -5.550 1.00 0.00 O ATOM 21 CB TYR A 2 -8.017 0.548 -7.112 1.00 0.00 C ATOM 22 CG TYR A 2 -9.197 0.062 -7.934 1.00 0.00 C ATOM 23 CD1 TYR A 2 -10.261 -0.619 -7.313 1.00 0.00 C ATOM 24 CD2 TYR A 2 -9.193 0.220 -9.333 1.00 0.00 C ATOM 25 CE1 TYR A 2 -11.310 -1.145 -8.087 1.00 0.00 C ATOM 26 CE2 TYR A 2 -10.235 -0.316 -10.107 1.00 0.00 C ATOM 27 CZ TYR A 2 -11.291 -1.004 -9.485 1.00 0.00 C ATOM 28 OH TYR A 2 -12.295 -1.543 -10.235 1.00 0.00 O ATOM 29 H TYR A 2 -8.249 -1.425 -5.500 1.00 0.00 H ATOM 30 HA TYR A 2 -6.639 -0.881 -7.888 1.00 0.00 H ATOM 31 1HB TYR A 2 -8.379 0.890 -6.140 1.00 0.00 H ATOM 32 2HB TYR A 2 -7.567 1.403 -7.619 1.00 0.00 H ATOM 33 HD1 TYR A 2 -10.263 -0.766 -6.243 1.00 0.00 H ATOM 34 HD2 TYR A 2 -8.388 0.751 -9.818 1.00 0.00 H ATOM 35 HE1 TYR A 2 -12.120 -1.674 -7.606 1.00 0.00 H ATOM 36 HE2 TYR A 2 -10.217 -0.202 -11.181 1.00 0.00 H ATOM 37 HH TYR A 2 -12.189 -1.386 -11.176 1.00 0.00 H ATOM 38 N SER A 3 -4.600 -0.745 -6.268 1.00 0.00 N ATOM 39 CA SER A 3 -3.398 -0.520 -5.483 1.00 0.00 C ATOM 40 C SER A 3 -2.358 0.226 -6.318 1.00 0.00 C ATOM 41 O SER A 3 -1.630 -0.391 -7.094 1.00 0.00 O ATOM 42 CB SER A 3 -2.867 -1.872 -4.989 1.00 0.00 C ATOM 43 OG SER A 3 -2.680 -2.762 -6.069 1.00 0.00 O ATOM 44 H SER A 3 -4.641 -1.594 -6.818 1.00 0.00 H ATOM 45 HA SER A 3 -3.629 0.069 -4.594 1.00 0.00 H ATOM 46 1HB SER A 3 -1.919 -1.727 -4.469 1.00 0.00 H ATOM 47 2HB SER A 3 -3.585 -2.312 -4.296 1.00 0.00 H ATOM 48 HG SER A 3 -2.113 -2.333 -6.717 1.00 0.00 H ATOM 49 N CYS A 4 -2.287 1.551 -6.130 1.00 0.00 N ATOM 50 CA CYS A 4 -1.260 2.417 -6.691 1.00 0.00 C ATOM 51 C CYS A 4 -0.217 2.692 -5.608 1.00 0.00 C ATOM 52 O CYS A 4 -0.555 3.237 -4.558 1.00 0.00 O ATOM 53 CB CYS A 4 -1.886 3.715 -7.218 1.00 0.00 C ATOM 54 SG CYS A 4 -3.022 3.605 -8.635 1.00 0.00 S ATOM 55 H CYS A 4 -2.939 1.977 -5.486 1.00 0.00 H ATOM 56 HA CYS A 4 -0.750 1.926 -7.513 1.00 0.00 H ATOM 57 1HB CYS A 4 -2.409 4.221 -6.405 1.00 0.00 H ATOM 58 2HB CYS A 4 -1.072 4.362 -7.538 1.00 0.00 H ATOM 59 N HIS A 5 1.031 2.268 -5.848 1.00 0.00 N ATOM 60 CA HIS A 5 2.102 2.269 -4.858 1.00 0.00 C ATOM 61 C HIS A 5 3.440 2.674 -5.479 1.00 0.00 C ATOM 62 O HIS A 5 3.606 2.643 -6.698 1.00 0.00 O ATOM 63 CB HIS A 5 2.206 0.866 -4.248 1.00 0.00 C ATOM 64 CG HIS A 5 2.555 -0.189 -5.269 1.00 0.00 C ATOM 65 ND1 HIS A 5 3.880 -0.511 -5.562 1.00 0.00 N ATOM 66 CD2 HIS A 5 1.729 -0.923 -6.079 1.00 0.00 C ATOM 67 CE1 HIS A 5 3.800 -1.419 -6.538 1.00 0.00 C ATOM 68 NE2 HIS A 5 2.534 -1.698 -6.887 1.00 0.00 N ATOM 69 H HIS A 5 1.249 1.859 -6.748 1.00 0.00 H ATOM 70 HA HIS A 5 1.875 2.980 -4.062 1.00 0.00 H ATOM 71 1HB HIS A 5 2.967 0.867 -3.467 1.00 0.00 H ATOM 72 2HB HIS A 5 1.251 0.606 -3.788 1.00 0.00 H ATOM 73 HD2 HIS A 5 0.651 -0.878 -6.103 1.00 0.00 H ATOM 74 HE1 HIS A 5 4.661 -1.884 -6.994 1.00 0.00 H ATOM 75 HE2 HIS A 5 2.224 -2.344 -7.599 1.00 0.00 H ATOM 76 N PHE A 6 4.410 3.006 -4.619 1.00 0.00 N ATOM 77 CA PHE A 6 5.794 3.197 -5.019 1.00 0.00 C ATOM 78 C PHE A 6 6.522 1.861 -4.888 1.00 0.00 C ATOM 79 O PHE A 6 6.613 1.321 -3.787 1.00 0.00 O ATOM 80 CB PHE A 6 6.473 4.263 -4.156 1.00 0.00 C ATOM 81 CG PHE A 6 7.921 4.486 -4.549 1.00 0.00 C ATOM 82 CD1 PHE A 6 8.225 5.076 -5.791 1.00 0.00 C ATOM 83 CD2 PHE A 6 8.958 3.957 -3.757 1.00 0.00 C ATOM 84 CE1 PHE A 6 9.559 5.163 -6.224 1.00 0.00 C ATOM 85 CE2 PHE A 6 10.292 4.049 -4.188 1.00 0.00 C ATOM 86 CZ PHE A 6 10.594 4.658 -5.418 1.00 0.00 C ATOM 87 H PHE A 6 4.206 3.001 -3.631 1.00 0.00 H ATOM 88 HA PHE A 6 5.835 3.542 -6.049 1.00 0.00 H ATOM 89 1HB PHE A 6 5.939 5.207 -4.259 1.00 0.00 H ATOM 90 2HB PHE A 6 6.419 3.965 -3.108 1.00 0.00 H ATOM 91 HD1 PHE A 6 7.435 5.451 -6.425 1.00 0.00 H ATOM 92 HD2 PHE A 6 8.734 3.462 -2.823 1.00 0.00 H ATOM 93 HE1 PHE A 6 9.791 5.612 -7.178 1.00 0.00 H ATOM 94 HE2 PHE A 6 11.086 3.643 -3.578 1.00 0.00 H ATOM 95 HZ PHE A 6 11.620 4.727 -5.749 1.00 0.00 H ATOM 96 N GLY A 7 7.053 1.343 -6.000 1.00 0.00 N ATOM 97 CA GLY A 7 7.852 0.129 -6.014 1.00 0.00 C ATOM 98 C GLY A 7 7.722 -0.581 -7.363 1.00 0.00 C ATOM 99 O GLY A 7 6.720 -0.396 -8.050 1.00 0.00 O ATOM 100 H GLY A 7 6.947 1.829 -6.881 1.00 0.00 H ATOM 101 1HA GLY A 7 8.880 0.426 -5.820 1.00 0.00 H ATOM 102 2HA GLY A 7 7.524 -0.559 -5.235 1.00 0.00 H ATOM 103 N PRO A 8 8.704 -1.411 -7.752 1.00 0.00 N ATOM 104 CA PRO A 8 9.904 -1.738 -6.995 1.00 0.00 C ATOM 105 C PRO A 8 10.949 -0.621 -7.086 1.00 0.00 C ATOM 106 O PRO A 8 11.533 -0.249 -6.070 1.00 0.00 O ATOM 107 CB PRO A 8 10.415 -3.045 -7.609 1.00 0.00 C ATOM 108 CG PRO A 8 9.942 -2.978 -9.062 1.00 0.00 C ATOM 109 CD PRO A 8 8.626 -2.204 -8.969 1.00 0.00 C ATOM 110 HA PRO A 8 9.661 -1.920 -5.947 1.00 0.00 H ATOM 111 1HB PRO A 8 11.498 -3.156 -7.529 1.00 0.00 H ATOM 112 2HB PRO A 8 9.920 -3.884 -7.118 1.00 0.00 H ATOM 113 1HG PRO A 8 10.663 -2.420 -9.659 1.00 0.00 H ATOM 114 2HG PRO A 8 9.802 -3.971 -9.490 1.00 0.00 H ATOM 115 1HD PRO A 8 8.491 -1.571 -9.847 1.00 0.00 H ATOM 116 2HD PRO A 8 7.794 -2.904 -8.885 1.00 0.00 H ATOM 117 N LEU A 9 11.173 -0.089 -8.294 1.00 0.00 N ATOM 118 CA LEU A 9 12.121 0.983 -8.572 1.00 0.00 C ATOM 119 C LEU A 9 11.333 2.278 -8.779 1.00 0.00 C ATOM 120 O LEU A 9 11.559 3.262 -8.080 1.00 0.00 O ATOM 121 CB LEU A 9 12.963 0.591 -9.800 1.00 0.00 C ATOM 122 CG LEU A 9 14.326 1.299 -9.895 1.00 0.00 C ATOM 123 CD1 LEU A 9 15.100 0.721 -11.086 1.00 0.00 C ATOM 124 CD2 LEU A 9 14.215 2.819 -10.067 1.00 0.00 C ATOM 125 H LEU A 9 10.634 -0.435 -9.074 1.00 0.00 H ATOM 126 HA LEU A 9 12.798 1.108 -7.726 1.00 0.00 H ATOM 127 1HB LEU A 9 13.174 -0.477 -9.724 1.00 0.00 H ATOM 128 2HB LEU A 9 12.395 0.753 -10.716 1.00 0.00 H ATOM 129 HG LEU A 9 14.899 1.093 -8.990 1.00 0.00 H ATOM 130 1HD1 LEU A 9 15.219 -0.356 -10.965 1.00 0.00 H ATOM 131 2HD1 LEU A 9 14.562 0.919 -12.014 1.00 0.00 H ATOM 132 3HD1 LEU A 9 16.090 1.176 -11.143 1.00 0.00 H ATOM 133 1HD2 LEU A 9 13.533 3.058 -10.883 1.00 0.00 H ATOM 134 2HD2 LEU A 9 13.862 3.277 -9.146 1.00 0.00 H ATOM 135 3HD2 LEU A 9 15.197 3.235 -10.292 1.00 0.00 H ATOM 136 N THR A 10 10.388 2.257 -9.726 1.00 0.00 N ATOM 137 CA THR A 10 9.521 3.375 -10.067 1.00 0.00 C ATOM 138 C THR A 10 8.157 3.188 -9.395 1.00 0.00 C ATOM 139 O THR A 10 7.950 2.230 -8.652 1.00 0.00 O ATOM 140 CB THR A 10 9.380 3.435 -11.598 1.00 0.00 C ATOM 141 OG1 THR A 10 8.862 2.209 -12.076 1.00 0.00 O ATOM 142 CG2 THR A 10 10.726 3.709 -12.277 1.00 0.00 C ATOM 143 H THR A 10 10.246 1.406 -10.251 1.00 0.00 H ATOM 144 HA THR A 10 9.951 4.316 -9.721 1.00 0.00 H ATOM 145 HB THR A 10 8.697 4.238 -11.875 1.00 0.00 H ATOM 146 HG1 THR A 10 8.715 2.285 -13.022 1.00 0.00 H ATOM 147 1HG2 THR A 10 11.413 2.879 -12.114 1.00 0.00 H ATOM 148 2HG2 THR A 10 10.573 3.831 -13.350 1.00 0.00 H ATOM 149 3HG2 THR A 10 11.164 4.623 -11.876 1.00 0.00 H ATOM 150 N TRP A 11 7.216 4.100 -9.667 1.00 0.00 N ATOM 151 CA TRP A 11 5.831 3.943 -9.253 1.00 0.00 C ATOM 152 C TRP A 11 5.133 2.942 -10.175 1.00 0.00 C ATOM 153 O TRP A 11 5.332 2.981 -11.388 1.00 0.00 O ATOM 154 CB TRP A 11 5.122 5.299 -9.270 1.00 0.00 C ATOM 155 CG TRP A 11 3.749 5.292 -8.669 1.00 0.00 C ATOM 156 CD1 TRP A 11 2.619 4.885 -9.289 1.00 0.00 C ATOM 157 CD2 TRP A 11 3.345 5.671 -7.320 1.00 0.00 C ATOM 158 NE1 TRP A 11 1.548 4.980 -8.427 1.00 0.00 N ATOM 159 CE2 TRP A 11 1.941 5.461 -7.193 1.00 0.00 C ATOM 160 CE3 TRP A 11 4.023 6.172 -6.188 1.00 0.00 C ATOM 161 CZ2 TRP A 11 1.248 5.735 -6.004 1.00 0.00 C ATOM 162 CZ3 TRP A 11 3.341 6.429 -4.984 1.00 0.00 C ATOM 163 CH2 TRP A 11 1.956 6.208 -4.890 1.00 0.00 C ATOM 164 H TRP A 11 7.438 4.876 -10.272 1.00 0.00 H ATOM 165 HA TRP A 11 5.811 3.565 -8.233 1.00 0.00 H ATOM 166 1HB TRP A 11 5.727 6.011 -8.706 1.00 0.00 H ATOM 167 2HB TRP A 11 5.055 5.657 -10.298 1.00 0.00 H ATOM 168 HD1 TRP A 11 2.562 4.525 -10.306 1.00 0.00 H ATOM 169 HE1 TRP A 11 0.595 4.736 -8.652 1.00 0.00 H ATOM 170 HE3 TRP A 11 5.084 6.360 -6.248 1.00 0.00 H ATOM 171 HZ2 TRP A 11 0.180 5.588 -5.941 1.00 0.00 H ATOM 172 HZ3 TRP A 11 3.883 6.805 -4.129 1.00 0.00 H ATOM 173 HH2 TRP A 11 1.437 6.410 -3.964 1.00 0.00 H ATOM 174 N VAL A 12 4.315 2.057 -9.595 1.00 0.00 N ATOM 175 CA VAL A 12 3.526 1.068 -10.318 1.00 0.00 C ATOM 176 C VAL A 12 2.136 1.019 -9.686 1.00 0.00 C ATOM 177 O VAL A 12 1.995 1.213 -8.479 1.00 0.00 O ATOM 178 CB VAL A 12 4.225 -0.306 -10.275 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.366 -1.412 -10.905 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.572 -0.266 -11.011 1.00 0.00 C ATOM 181 H VAL A 12 4.176 2.104 -8.592 1.00 0.00 H ATOM 182 HA VAL A 12 3.411 1.372 -11.360 1.00 0.00 H ATOM 183 HB VAL A 12 4.404 -0.577 -9.235 1.00 0.00 H ATOM 184 1HG1 VAL A 12 3.083 -1.133 -11.921 1.00 0.00 H ATOM 185 2HG1 VAL A 12 3.931 -2.343 -10.938 1.00 0.00 H ATOM 186 3HG1 VAL A 12 2.467 -1.586 -10.313 1.00 0.00 H ATOM 187 1HG2 VAL A 12 5.419 0.025 -12.051 1.00 0.00 H ATOM 188 2HG2 VAL A 12 6.252 0.442 -10.540 1.00 0.00 H ATOM 189 3HG2 VAL A 12 6.036 -1.252 -10.983 1.00 0.00 H ATOM 190 N CYS A 13 1.108 0.754 -10.501 1.00 0.00 N ATOM 191 CA CYS A 13 -0.251 0.570 -10.023 1.00 0.00 C ATOM 192 C CYS A 13 -0.907 -0.619 -10.712 1.00 0.00 C ATOM 193 O CYS A 13 -0.667 -0.867 -11.893 1.00 0.00 O ATOM 194 CB CYS A 13 -1.070 1.852 -10.217 1.00 0.00 C ATOM 195 SG CYS A 13 -2.721 1.766 -9.465 1.00 0.00 S ATOM 196 H CYS A 13 1.280 0.594 -11.484 1.00 0.00 H ATOM 197 HA CYS A 13 -0.214 0.336 -8.961 1.00 0.00 H ATOM 198 1HB CYS A 13 -0.526 2.678 -9.758 1.00 0.00 H ATOM 199 2HB CYS A 13 -1.179 2.066 -11.281 1.00 0.00 H ATOM 200 N LYS A 14 -1.751 -1.329 -9.955 1.00 0.00 N ATOM 201 CA LYS A 14 -2.629 -2.381 -10.438 1.00 0.00 C ATOM 202 C LYS A 14 -4.069 -1.907 -10.204 1.00 0.00 C ATOM 203 O LYS A 14 -4.640 -2.204 -9.155 1.00 0.00 O ATOM 204 CB LYS A 14 -2.327 -3.692 -9.692 1.00 0.00 C ATOM 205 CG LYS A 14 -0.862 -4.144 -9.788 1.00 0.00 C ATOM 206 CD LYS A 14 -0.420 -4.446 -11.226 1.00 0.00 C ATOM 207 CE LYS A 14 1.013 -4.985 -11.237 1.00 0.00 C ATOM 208 NZ LYS A 14 1.475 -5.248 -12.609 1.00 0.00 N ATOM 209 H LYS A 14 -1.861 -1.057 -8.986 1.00 0.00 H ATOM 210 HA LYS A 14 -2.477 -2.569 -11.499 1.00 0.00 H ATOM 211 1HB LYS A 14 -2.557 -3.567 -8.634 1.00 0.00 H ATOM 212 2HB LYS A 14 -2.968 -4.479 -10.090 1.00 0.00 H ATOM 213 1HG LYS A 14 -0.210 -3.384 -9.357 1.00 0.00 H ATOM 214 2HG LYS A 14 -0.758 -5.055 -9.197 1.00 0.00 H ATOM 215 1HD LYS A 14 -1.090 -5.187 -11.665 1.00 0.00 H ATOM 216 2HD LYS A 14 -0.451 -3.537 -11.826 1.00 0.00 H ATOM 217 1HE LYS A 14 1.680 -4.254 -10.779 1.00 0.00 H ATOM 218 2HE LYS A 14 1.059 -5.913 -10.666 1.00 0.00 H ATOM 219 1HZ LYS A 14 1.450 -4.391 -13.144 1.00 0.00 H ATOM 220 2HZ LYS A 14 2.421 -5.600 -12.585 1.00 0.00 H ATOM 221 3HZ LYS A 14 0.872 -5.933 -13.043 1.00 0.00 H ATOM 222 N PRO A 15 -4.661 -1.143 -11.141 1.00 0.00 N ATOM 223 CA PRO A 15 -5.987 -0.563 -10.983 1.00 0.00 C ATOM 224 C PRO A 15 -7.063 -1.603 -11.321 1.00 0.00 C ATOM 225 O PRO A 15 -7.804 -1.446 -12.290 1.00 0.00 O ATOM 226 CB PRO A 15 -5.998 0.640 -11.932 1.00 0.00 C ATOM 227 CG PRO A 15 -5.122 0.159 -13.086 1.00 0.00 C ATOM 228 CD PRO A 15 -4.048 -0.662 -12.371 1.00 0.00 C ATOM 229 HA PRO A 15 -6.135 -0.200 -9.967 1.00 0.00 H ATOM 230 1HB PRO A 15 -6.996 0.939 -12.254 1.00 0.00 H ATOM 231 2HB PRO A 15 -5.505 1.482 -11.444 1.00 0.00 H ATOM 232 1HG PRO A 15 -5.703 -0.490 -13.743 1.00 0.00 H ATOM 233 2HG PRO A 15 -4.698 0.986 -13.656 1.00 0.00 H ATOM 234 1HD PRO A 15 -3.718 -1.478 -13.014 1.00 0.00 H ATOM 235 2HD PRO A 15 -3.212 -0.007 -12.130 1.00 0.00 H ATOM 236 N GLN A 16 -7.140 -2.670 -10.515 1.00 0.00 N ATOM 237 CA GLN A 16 -8.066 -3.781 -10.699 1.00 0.00 C ATOM 238 C GLN A 16 -9.169 -3.732 -9.643 1.00 0.00 C ATOM 239 O GLN A 16 -8.954 -3.251 -8.534 1.00 0.00 O ATOM 240 CB GLN A 16 -7.305 -5.116 -10.678 1.00 0.00 C ATOM 241 CG GLN A 16 -6.546 -5.374 -9.369 1.00 0.00 C ATOM 242 CD GLN A 16 -5.827 -6.719 -9.399 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.607 -6.773 -9.528 1.00 0.00 O ATOM 244 NE2 GLN A 16 -6.582 -7.812 -9.276 1.00 0.00 N ATOM 245 H GLN A 16 -6.514 -2.712 -9.721 1.00 0.00 H ATOM 246 HA GLN A 16 -8.539 -3.707 -11.680 1.00 0.00 H ATOM 247 1HB GLN A 16 -8.020 -5.924 -10.841 1.00 0.00 H ATOM 248 2HB GLN A 16 -6.589 -5.121 -11.502 1.00 0.00 H ATOM 249 1HG GLN A 16 -5.797 -4.597 -9.221 1.00 0.00 H ATOM 250 2HG GLN A 16 -7.234 -5.364 -8.525 1.00 0.00 H ATOM 251 1HE2 GLN A 16 -7.583 -7.728 -9.171 1.00 0.00 H ATOM 252 2HE2 GLN A 16 -6.146 -8.723 -9.290 1.00 0.00 H HETATM 253 N NH2 A 17 -10.360 -4.226 -9.985 1.00 0.00 N HETATM 254 1HN NH2 A 17 -10.502 -4.611 -10.907 1.00 0.00 H HETATM 255 2HN NH2 A 17 -11.121 -4.198 -9.322 1.00 0.00 H TER 256 NH2 A 17 ENDMDL MODEL 10 ATOM 1 N THR A 1 -4.438 -0.354 -0.522 1.00 0.00 N ATOM 2 CA THR A 1 -5.591 0.143 -1.295 1.00 0.00 C ATOM 3 C THR A 1 -5.394 -0.088 -2.794 1.00 0.00 C ATOM 4 O THR A 1 -4.273 -0.312 -3.246 1.00 0.00 O ATOM 5 CB THR A 1 -5.865 1.627 -0.999 1.00 0.00 C ATOM 6 OG1 THR A 1 -4.736 2.412 -1.324 1.00 0.00 O ATOM 7 CG2 THR A 1 -6.222 1.852 0.474 1.00 0.00 C ATOM 8 1H THR A 1 -3.622 0.187 -0.770 1.00 0.00 H ATOM 9 2H THR A 1 -4.619 -0.259 0.467 1.00 0.00 H ATOM 10 3H THR A 1 -4.276 -1.326 -0.745 1.00 0.00 H ATOM 11 HA THR A 1 -6.462 -0.436 -0.984 1.00 0.00 H ATOM 12 HB THR A 1 -6.709 1.966 -1.602 1.00 0.00 H ATOM 13 HG1 THR A 1 -4.707 2.537 -2.278 1.00 0.00 H ATOM 14 1HG2 THR A 1 -5.376 1.608 1.117 1.00 0.00 H ATOM 15 2HG2 THR A 1 -6.483 2.900 0.625 1.00 0.00 H ATOM 16 3HG2 THR A 1 -7.076 1.233 0.748 1.00 0.00 H ATOM 17 N TYR A 2 -6.490 -0.026 -3.560 1.00 0.00 N ATOM 18 CA TYR A 2 -6.494 -0.180 -5.010 1.00 0.00 C ATOM 19 C TYR A 2 -5.942 1.096 -5.651 1.00 0.00 C ATOM 20 O TYR A 2 -6.687 1.896 -6.214 1.00 0.00 O ATOM 21 CB TYR A 2 -7.918 -0.512 -5.478 1.00 0.00 C ATOM 22 CG TYR A 2 -8.423 -1.856 -4.985 1.00 0.00 C ATOM 23 CD1 TYR A 2 -8.967 -1.985 -3.692 1.00 0.00 C ATOM 24 CD2 TYR A 2 -8.280 -2.998 -5.794 1.00 0.00 C ATOM 25 CE1 TYR A 2 -9.318 -3.253 -3.198 1.00 0.00 C ATOM 26 CE2 TYR A 2 -8.624 -4.266 -5.298 1.00 0.00 C ATOM 27 CZ TYR A 2 -9.138 -4.396 -3.997 1.00 0.00 C ATOM 28 OH TYR A 2 -9.460 -5.630 -3.513 1.00 0.00 O ATOM 29 H TYR A 2 -7.374 0.175 -3.117 1.00 0.00 H ATOM 30 HA TYR A 2 -5.848 -1.012 -5.294 1.00 0.00 H ATOM 31 1HB TYR A 2 -8.602 0.269 -5.140 1.00 0.00 H ATOM 32 2HB TYR A 2 -7.932 -0.516 -6.569 1.00 0.00 H ATOM 33 HD1 TYR A 2 -9.107 -1.114 -3.070 1.00 0.00 H ATOM 34 HD2 TYR A 2 -7.906 -2.902 -6.800 1.00 0.00 H ATOM 35 HE1 TYR A 2 -9.724 -3.345 -2.200 1.00 0.00 H ATOM 36 HE2 TYR A 2 -8.490 -5.142 -5.917 1.00 0.00 H ATOM 37 HH TYR A 2 -9.802 -5.611 -2.616 1.00 0.00 H ATOM 38 N SER A 3 -4.626 1.286 -5.513 1.00 0.00 N ATOM 39 CA SER A 3 -3.896 2.485 -5.894 1.00 0.00 C ATOM 40 C SER A 3 -2.556 2.080 -6.515 1.00 0.00 C ATOM 41 O SER A 3 -2.366 0.917 -6.870 1.00 0.00 O ATOM 42 CB SER A 3 -3.706 3.353 -4.640 1.00 0.00 C ATOM 43 OG SER A 3 -4.939 3.535 -3.973 1.00 0.00 O ATOM 44 H SER A 3 -4.099 0.573 -5.025 1.00 0.00 H ATOM 45 HA SER A 3 -4.459 3.051 -6.637 1.00 0.00 H ATOM 46 1HB SER A 3 -3.009 2.867 -3.955 1.00 0.00 H ATOM 47 2HB SER A 3 -3.313 4.332 -4.913 1.00 0.00 H ATOM 48 HG SER A 3 -5.583 3.868 -4.604 1.00 0.00 H ATOM 49 N CYS A 4 -1.614 3.026 -6.618 1.00 0.00 N ATOM 50 CA CYS A 4 -0.252 2.763 -7.063 1.00 0.00 C ATOM 51 C CYS A 4 0.684 2.717 -5.857 1.00 0.00 C ATOM 52 O CYS A 4 0.435 3.386 -4.855 1.00 0.00 O ATOM 53 CB CYS A 4 0.187 3.831 -8.073 1.00 0.00 C ATOM 54 SG CYS A 4 -1.028 4.248 -9.360 1.00 0.00 S ATOM 55 H CYS A 4 -1.822 3.965 -6.314 1.00 0.00 H ATOM 56 HA CYS A 4 -0.207 1.791 -7.542 1.00 0.00 H ATOM 57 1HB CYS A 4 0.384 4.753 -7.525 1.00 0.00 H ATOM 58 2HB CYS A 4 1.118 3.516 -8.546 1.00 0.00 H ATOM 59 N HIS A 5 1.755 1.922 -5.964 1.00 0.00 N ATOM 60 CA HIS A 5 2.790 1.782 -4.948 1.00 0.00 C ATOM 61 C HIS A 5 4.149 2.071 -5.580 1.00 0.00 C ATOM 62 O HIS A 5 4.416 1.640 -6.701 1.00 0.00 O ATOM 63 CB HIS A 5 2.752 0.376 -4.334 1.00 0.00 C ATOM 64 CG HIS A 5 2.891 -0.739 -5.341 1.00 0.00 C ATOM 65 ND1 HIS A 5 1.788 -1.243 -6.029 1.00 0.00 N ATOM 66 CD2 HIS A 5 4.015 -1.403 -5.756 1.00 0.00 C ATOM 67 CE1 HIS A 5 2.291 -2.178 -6.838 1.00 0.00 C ATOM 68 NE2 HIS A 5 3.621 -2.315 -6.712 1.00 0.00 N ATOM 69 H HIS A 5 1.879 1.391 -6.818 1.00 0.00 H ATOM 70 HA HIS A 5 2.626 2.497 -4.141 1.00 0.00 H ATOM 71 1HB HIS A 5 3.562 0.290 -3.609 1.00 0.00 H ATOM 72 2HB HIS A 5 1.813 0.248 -3.799 1.00 0.00 H ATOM 73 HD2 HIS A 5 5.024 -1.231 -5.411 1.00 0.00 H ATOM 74 HE1 HIS A 5 1.690 -2.764 -7.518 1.00 0.00 H ATOM 75 HE2 HIS A 5 4.222 -2.949 -7.218 1.00 0.00 H ATOM 76 N PHE A 6 5.004 2.807 -4.859 1.00 0.00 N ATOM 77 CA PHE A 6 6.323 3.192 -5.337 1.00 0.00 C ATOM 78 C PHE A 6 7.315 2.054 -5.099 1.00 0.00 C ATOM 79 O PHE A 6 8.193 2.147 -4.243 1.00 0.00 O ATOM 80 CB PHE A 6 6.751 4.508 -4.674 1.00 0.00 C ATOM 81 CG PHE A 6 7.906 5.201 -5.370 1.00 0.00 C ATOM 82 CD1 PHE A 6 7.728 5.692 -6.675 1.00 0.00 C ATOM 83 CD2 PHE A 6 9.138 5.389 -4.717 1.00 0.00 C ATOM 84 CE1 PHE A 6 8.759 6.394 -7.317 1.00 0.00 C ATOM 85 CE2 PHE A 6 10.174 6.089 -5.360 1.00 0.00 C ATOM 86 CZ PHE A 6 9.982 6.600 -6.657 1.00 0.00 C ATOM 87 H PHE A 6 4.726 3.125 -3.943 1.00 0.00 H ATOM 88 HA PHE A 6 6.261 3.371 -6.409 1.00 0.00 H ATOM 89 1HB PHE A 6 5.909 5.199 -4.708 1.00 0.00 H ATOM 90 2HB PHE A 6 6.986 4.335 -3.623 1.00 0.00 H ATOM 91 HD1 PHE A 6 6.798 5.527 -7.189 1.00 0.00 H ATOM 92 HD2 PHE A 6 9.293 5.000 -3.721 1.00 0.00 H ATOM 93 HE1 PHE A 6 8.606 6.762 -8.321 1.00 0.00 H ATOM 94 HE2 PHE A 6 11.120 6.232 -4.859 1.00 0.00 H ATOM 95 HZ PHE A 6 10.780 7.135 -7.151 1.00 0.00 H ATOM 96 N GLY A 7 7.152 0.967 -5.860 1.00 0.00 N ATOM 97 CA GLY A 7 7.979 -0.222 -5.778 1.00 0.00 C ATOM 98 C GLY A 7 7.840 -1.016 -7.078 1.00 0.00 C ATOM 99 O GLY A 7 6.774 -0.976 -7.690 1.00 0.00 O ATOM 100 H GLY A 7 6.409 0.967 -6.549 1.00 0.00 H ATOM 101 1HA GLY A 7 9.007 0.083 -5.598 1.00 0.00 H ATOM 102 2HA GLY A 7 7.642 -0.839 -4.945 1.00 0.00 H ATOM 103 N PRO A 8 8.885 -1.734 -7.526 1.00 0.00 N ATOM 104 CA PRO A 8 10.172 -1.909 -6.862 1.00 0.00 C ATOM 105 C PRO A 8 11.064 -0.664 -6.959 1.00 0.00 C ATOM 106 O PRO A 8 12.019 -0.547 -6.195 1.00 0.00 O ATOM 107 CB PRO A 8 10.820 -3.100 -7.573 1.00 0.00 C ATOM 108 CG PRO A 8 10.273 -2.987 -8.995 1.00 0.00 C ATOM 109 CD PRO A 8 8.846 -2.494 -8.764 1.00 0.00 C ATOM 110 HA PRO A 8 10.029 -2.162 -5.811 1.00 0.00 H ATOM 111 1HB PRO A 8 11.911 -3.073 -7.544 1.00 0.00 H ATOM 112 2HB PRO A 8 10.459 -4.027 -7.126 1.00 0.00 H ATOM 113 1HG PRO A 8 10.838 -2.232 -9.543 1.00 0.00 H ATOM 114 2HG PRO A 8 10.302 -3.939 -9.527 1.00 0.00 H ATOM 115 1HD PRO A 8 8.517 -1.878 -9.602 1.00 0.00 H ATOM 116 2HD PRO A 8 8.175 -3.345 -8.640 1.00 0.00 H ATOM 117 N LEU A 9 10.748 0.263 -7.875 1.00 0.00 N ATOM 118 CA LEU A 9 11.453 1.526 -8.039 1.00 0.00 C ATOM 119 C LEU A 9 10.447 2.641 -8.321 1.00 0.00 C ATOM 120 O LEU A 9 10.439 3.652 -7.624 1.00 0.00 O ATOM 121 CB LEU A 9 12.488 1.384 -9.166 1.00 0.00 C ATOM 122 CG LEU A 9 13.261 2.679 -9.473 1.00 0.00 C ATOM 123 CD1 LEU A 9 14.071 3.167 -8.265 1.00 0.00 C ATOM 124 CD2 LEU A 9 14.210 2.427 -10.650 1.00 0.00 C ATOM 125 H LEU A 9 9.955 0.098 -8.477 1.00 0.00 H ATOM 126 HA LEU A 9 11.969 1.771 -7.111 1.00 0.00 H ATOM 127 1HB LEU A 9 13.200 0.606 -8.888 1.00 0.00 H ATOM 128 2HB LEU A 9 11.974 1.064 -10.074 1.00 0.00 H ATOM 129 HG LEU A 9 12.566 3.465 -9.768 1.00 0.00 H ATOM 130 1HD1 LEU A 9 14.722 2.371 -7.903 1.00 0.00 H ATOM 131 2HD1 LEU A 9 14.683 4.022 -8.556 1.00 0.00 H ATOM 132 3HD1 LEU A 9 13.406 3.483 -7.462 1.00 0.00 H ATOM 133 1HD2 LEU A 9 13.640 2.105 -11.522 1.00 0.00 H ATOM 134 2HD2 LEU A 9 14.742 3.345 -10.899 1.00 0.00 H ATOM 135 3HD2 LEU A 9 14.934 1.654 -10.389 1.00 0.00 H ATOM 136 N THR A 10 9.613 2.456 -9.350 1.00 0.00 N ATOM 137 CA THR A 10 8.698 3.467 -9.863 1.00 0.00 C ATOM 138 C THR A 10 7.285 3.239 -9.322 1.00 0.00 C ATOM 139 O THR A 10 7.015 2.229 -8.673 1.00 0.00 O ATOM 140 CB THR A 10 8.711 3.401 -11.399 1.00 0.00 C ATOM 141 OG1 THR A 10 8.387 2.093 -11.828 1.00 0.00 O ATOM 142 CG2 THR A 10 10.084 3.782 -11.962 1.00 0.00 C ATOM 143 H THR A 10 9.668 1.595 -9.875 1.00 0.00 H ATOM 144 HA THR A 10 9.026 4.463 -9.561 1.00 0.00 H ATOM 145 HB THR A 10 7.977 4.098 -11.804 1.00 0.00 H ATOM 146 HG1 THR A 10 7.497 1.881 -11.536 1.00 0.00 H ATOM 147 1HG2 THR A 10 10.842 3.065 -11.647 1.00 0.00 H ATOM 148 2HG2 THR A 10 10.039 3.788 -13.051 1.00 0.00 H ATOM 149 3HG2 THR A 10 10.364 4.777 -11.615 1.00 0.00 H ATOM 150 N TRP A 11 6.376 4.178 -9.618 1.00 0.00 N ATOM 151 CA TRP A 11 4.961 4.048 -9.309 1.00 0.00 C ATOM 152 C TRP A 11 4.341 2.964 -10.189 1.00 0.00 C ATOM 153 O TRP A 11 4.064 3.203 -11.363 1.00 0.00 O ATOM 154 CB TRP A 11 4.246 5.390 -9.505 1.00 0.00 C ATOM 155 CG TRP A 11 4.527 6.409 -8.445 1.00 0.00 C ATOM 156 CD1 TRP A 11 5.271 7.527 -8.594 1.00 0.00 C ATOM 157 CD2 TRP A 11 4.096 6.400 -7.052 1.00 0.00 C ATOM 158 NE1 TRP A 11 5.337 8.210 -7.397 1.00 0.00 N ATOM 159 CE2 TRP A 11 4.629 7.555 -6.408 1.00 0.00 C ATOM 160 CE3 TRP A 11 3.317 5.526 -6.262 1.00 0.00 C ATOM 161 CZ2 TRP A 11 4.399 7.830 -5.052 1.00 0.00 C ATOM 162 CZ3 TRP A 11 3.077 5.795 -4.902 1.00 0.00 C ATOM 163 CH2 TRP A 11 3.615 6.944 -4.297 1.00 0.00 C ATOM 164 H TRP A 11 6.665 4.990 -10.143 1.00 0.00 H ATOM 165 HA TRP A 11 4.855 3.771 -8.261 1.00 0.00 H ATOM 166 1HB TRP A 11 4.499 5.800 -10.484 1.00 0.00 H ATOM 167 2HB TRP A 11 3.171 5.209 -9.486 1.00 0.00 H ATOM 168 HD1 TRP A 11 5.755 7.836 -9.509 1.00 0.00 H ATOM 169 HE1 TRP A 11 5.837 9.073 -7.240 1.00 0.00 H ATOM 170 HE3 TRP A 11 2.901 4.637 -6.711 1.00 0.00 H ATOM 171 HZ2 TRP A 11 4.820 8.714 -4.595 1.00 0.00 H ATOM 172 HZ3 TRP A 11 2.478 5.114 -4.316 1.00 0.00 H ATOM 173 HH2 TRP A 11 3.427 7.143 -3.252 1.00 0.00 H ATOM 174 N VAL A 12 4.113 1.783 -9.607 1.00 0.00 N ATOM 175 CA VAL A 12 3.469 0.655 -10.259 1.00 0.00 C ATOM 176 C VAL A 12 2.009 0.642 -9.809 1.00 0.00 C ATOM 177 O VAL A 12 1.727 0.521 -8.618 1.00 0.00 O ATOM 178 CB VAL A 12 4.212 -0.643 -9.902 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.448 -1.883 -10.383 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.603 -0.647 -10.550 1.00 0.00 C ATOM 181 H VAL A 12 4.373 1.665 -8.635 1.00 0.00 H ATOM 182 HA VAL A 12 3.508 0.771 -11.344 1.00 0.00 H ATOM 183 HB VAL A 12 4.325 -0.704 -8.820 1.00 0.00 H ATOM 184 1HG1 VAL A 12 3.266 -1.816 -11.456 1.00 0.00 H ATOM 185 2HG1 VAL A 12 4.034 -2.778 -10.175 1.00 0.00 H ATOM 186 3HG1 VAL A 12 2.497 -1.969 -9.861 1.00 0.00 H ATOM 187 1HG2 VAL A 12 5.513 -0.570 -11.633 1.00 0.00 H ATOM 188 2HG2 VAL A 12 6.197 0.189 -10.184 1.00 0.00 H ATOM 189 3HG2 VAL A 12 6.119 -1.575 -10.305 1.00 0.00 H ATOM 190 N CYS A 13 1.095 0.796 -10.774 1.00 0.00 N ATOM 191 CA CYS A 13 -0.338 0.906 -10.558 1.00 0.00 C ATOM 192 C CYS A 13 -1.002 -0.441 -10.831 1.00 0.00 C ATOM 193 O CYS A 13 -1.065 -0.877 -11.979 1.00 0.00 O ATOM 194 CB CYS A 13 -0.893 2.013 -11.457 1.00 0.00 C ATOM 195 SG CYS A 13 -0.211 3.665 -11.140 1.00 0.00 S ATOM 196 H CYS A 13 1.417 0.884 -11.727 1.00 0.00 H ATOM 197 HA CYS A 13 -0.551 1.195 -9.535 1.00 0.00 H ATOM 198 1HB CYS A 13 -0.682 1.761 -12.497 1.00 0.00 H ATOM 199 2HB CYS A 13 -1.976 2.062 -11.332 1.00 0.00 H ATOM 200 N LYS A 14 -1.483 -1.096 -9.767 1.00 0.00 N ATOM 201 CA LYS A 14 -2.147 -2.392 -9.814 1.00 0.00 C ATOM 202 C LYS A 14 -3.329 -2.385 -8.838 1.00 0.00 C ATOM 203 O LYS A 14 -3.307 -1.627 -7.869 1.00 0.00 O ATOM 204 CB LYS A 14 -1.146 -3.496 -9.436 1.00 0.00 C ATOM 205 CG LYS A 14 -0.133 -3.749 -10.558 1.00 0.00 C ATOM 206 CD LYS A 14 0.831 -4.873 -10.168 1.00 0.00 C ATOM 207 CE LYS A 14 1.795 -5.173 -11.320 1.00 0.00 C ATOM 208 NZ LYS A 14 2.771 -6.208 -10.945 1.00 0.00 N ATOM 209 H LYS A 14 -1.410 -0.662 -8.856 1.00 0.00 H ATOM 210 HA LYS A 14 -2.520 -2.570 -10.822 1.00 0.00 H ATOM 211 1HB LYS A 14 -0.623 -3.213 -8.521 1.00 0.00 H ATOM 212 2HB LYS A 14 -1.684 -4.425 -9.248 1.00 0.00 H ATOM 213 1HG LYS A 14 -0.668 -4.031 -11.466 1.00 0.00 H ATOM 214 2HG LYS A 14 0.440 -2.843 -10.753 1.00 0.00 H ATOM 215 1HD LYS A 14 1.400 -4.572 -9.288 1.00 0.00 H ATOM 216 2HD LYS A 14 0.264 -5.775 -9.933 1.00 0.00 H ATOM 217 1HE LYS A 14 1.230 -5.520 -12.186 1.00 0.00 H ATOM 218 2HE LYS A 14 2.336 -4.266 -11.593 1.00 0.00 H ATOM 219 1HZ LYS A 14 2.284 -7.059 -10.702 1.00 0.00 H ATOM 220 2HZ LYS A 14 3.391 -6.386 -11.723 1.00 0.00 H ATOM 221 3HZ LYS A 14 3.311 -5.892 -10.151 1.00 0.00 H ATOM 222 N PRO A 15 -4.360 -3.218 -9.064 1.00 0.00 N ATOM 223 CA PRO A 15 -5.512 -3.328 -8.182 1.00 0.00 C ATOM 224 C PRO A 15 -5.134 -4.119 -6.923 1.00 0.00 C ATOM 225 O PRO A 15 -5.459 -5.298 -6.800 1.00 0.00 O ATOM 226 CB PRO A 15 -6.586 -4.026 -9.026 1.00 0.00 C ATOM 227 CG PRO A 15 -5.767 -4.918 -9.959 1.00 0.00 C ATOM 228 CD PRO A 15 -4.529 -4.067 -10.235 1.00 0.00 C ATOM 229 HA PRO A 15 -5.871 -2.338 -7.895 1.00 0.00 H ATOM 230 1HB PRO A 15 -7.307 -4.594 -8.438 1.00 0.00 H ATOM 231 2HB PRO A 15 -7.108 -3.278 -9.625 1.00 0.00 H ATOM 232 1HG PRO A 15 -5.476 -5.829 -9.434 1.00 0.00 H ATOM 233 2HG PRO A 15 -6.309 -5.169 -10.871 1.00 0.00 H ATOM 234 1HD PRO A 15 -3.667 -4.711 -10.412 1.00 0.00 H ATOM 235 2HD PRO A 15 -4.713 -3.440 -11.108 1.00 0.00 H ATOM 236 N GLN A 16 -4.433 -3.461 -5.991 1.00 0.00 N ATOM 237 CA GLN A 16 -3.905 -4.093 -4.786 1.00 0.00 C ATOM 238 C GLN A 16 -5.057 -4.488 -3.860 1.00 0.00 C ATOM 239 O GLN A 16 -5.214 -5.655 -3.512 1.00 0.00 O ATOM 240 CB GLN A 16 -2.890 -3.201 -4.039 1.00 0.00 C ATOM 241 CG GLN A 16 -2.153 -2.176 -4.913 1.00 0.00 C ATOM 242 CD GLN A 16 -1.133 -1.355 -4.125 1.00 0.00 C ATOM 243 OE1 GLN A 16 -0.594 -1.809 -3.118 1.00 0.00 O ATOM 244 NE2 GLN A 16 -0.877 -0.127 -4.579 1.00 0.00 N ATOM 245 H GLN A 16 -4.198 -2.498 -6.181 1.00 0.00 H ATOM 246 HA GLN A 16 -3.376 -4.996 -5.096 1.00 0.00 H ATOM 247 1HB GLN A 16 -3.390 -2.654 -3.242 1.00 0.00 H ATOM 248 2HB GLN A 16 -2.159 -3.861 -3.569 1.00 0.00 H ATOM 249 1HG GLN A 16 -1.650 -2.683 -5.737 1.00 0.00 H ATOM 250 2HG GLN A 16 -2.882 -1.470 -5.307 1.00 0.00 H ATOM 251 1HE2 GLN A 16 -1.328 0.197 -5.424 1.00 0.00 H ATOM 252 2HE2 GLN A 16 -0.221 0.464 -4.091 1.00 0.00 H HETATM 253 N NH2 A 17 -5.867 -3.506 -3.459 1.00 0.00 N HETATM 254 1HN NH2 A 17 -5.703 -2.561 -3.774 1.00 0.00 H HETATM 255 2HN NH2 A 17 -6.642 -3.712 -2.850 1.00 0.00 H TER 256 NH2 A 17 ENDMDL MODEL 11 ATOM 1 N THR A 1 -7.357 -1.618 -1.926 1.00 0.00 N ATOM 2 CA THR A 1 -6.489 -2.771 -2.227 1.00 0.00 C ATOM 3 C THR A 1 -5.565 -2.472 -3.408 1.00 0.00 C ATOM 4 O THR A 1 -4.354 -2.353 -3.233 1.00 0.00 O ATOM 5 CB THR A 1 -7.309 -4.051 -2.469 1.00 0.00 C ATOM 6 OG1 THR A 1 -8.288 -3.843 -3.469 1.00 0.00 O ATOM 7 CG2 THR A 1 -8.000 -4.529 -1.188 1.00 0.00 C ATOM 8 1H THR A 1 -6.784 -0.803 -1.756 1.00 0.00 H ATOM 9 2H THR A 1 -7.965 -1.442 -2.712 1.00 0.00 H ATOM 10 3H THR A 1 -7.912 -1.814 -1.106 1.00 0.00 H ATOM 11 HA THR A 1 -5.856 -2.940 -1.354 1.00 0.00 H ATOM 12 HB THR A 1 -6.634 -4.841 -2.803 1.00 0.00 H ATOM 13 HG1 THR A 1 -8.956 -3.244 -3.128 1.00 0.00 H ATOM 14 1HG2 THR A 1 -8.529 -5.461 -1.388 1.00 0.00 H ATOM 15 2HG2 THR A 1 -7.256 -4.708 -0.410 1.00 0.00 H ATOM 16 3HG2 THR A 1 -8.716 -3.786 -0.836 1.00 0.00 H ATOM 17 N TYR A 2 -6.147 -2.352 -4.605 1.00 0.00 N ATOM 18 CA TYR A 2 -5.433 -2.149 -5.858 1.00 0.00 C ATOM 19 C TYR A 2 -5.043 -0.675 -5.988 1.00 0.00 C ATOM 20 O TYR A 2 -5.630 0.065 -6.775 1.00 0.00 O ATOM 21 CB TYR A 2 -6.320 -2.616 -7.023 1.00 0.00 C ATOM 22 CG TYR A 2 -6.820 -4.055 -6.988 1.00 0.00 C ATOM 23 CD1 TYR A 2 -6.237 -5.031 -6.153 1.00 0.00 C ATOM 24 CD2 TYR A 2 -7.871 -4.424 -7.849 1.00 0.00 C ATOM 25 CE1 TYR A 2 -6.719 -6.351 -6.163 1.00 0.00 C ATOM 26 CE2 TYR A 2 -8.351 -5.745 -7.861 1.00 0.00 C ATOM 27 CZ TYR A 2 -7.777 -6.709 -7.015 1.00 0.00 C ATOM 28 OH TYR A 2 -8.240 -7.992 -7.021 1.00 0.00 O ATOM 29 H TYR A 2 -7.148 -2.487 -4.657 1.00 0.00 H ATOM 30 HA TYR A 2 -4.515 -2.737 -5.865 1.00 0.00 H ATOM 31 1HB TYR A 2 -7.200 -1.972 -7.056 1.00 0.00 H ATOM 32 2HB TYR A 2 -5.767 -2.474 -7.953 1.00 0.00 H ATOM 33 HD1 TYR A 2 -5.420 -4.789 -5.493 1.00 0.00 H ATOM 34 HD2 TYR A 2 -8.313 -3.691 -8.508 1.00 0.00 H ATOM 35 HE1 TYR A 2 -6.279 -7.093 -5.513 1.00 0.00 H ATOM 36 HE2 TYR A 2 -9.160 -6.015 -8.524 1.00 0.00 H ATOM 37 HH TYR A 2 -8.962 -8.132 -7.638 1.00 0.00 H ATOM 38 N SER A 3 -4.050 -0.257 -5.195 1.00 0.00 N ATOM 39 CA SER A 3 -3.593 1.121 -5.099 1.00 0.00 C ATOM 40 C SER A 3 -2.329 1.318 -5.939 1.00 0.00 C ATOM 41 O SER A 3 -1.852 0.382 -6.581 1.00 0.00 O ATOM 42 CB SER A 3 -3.345 1.462 -3.622 1.00 0.00 C ATOM 43 OG SER A 3 -4.464 1.101 -2.838 1.00 0.00 O ATOM 44 H SER A 3 -3.599 -0.934 -4.591 1.00 0.00 H ATOM 45 HA SER A 3 -4.365 1.797 -5.470 1.00 0.00 H ATOM 46 1HB SER A 3 -2.470 0.928 -3.253 1.00 0.00 H ATOM 47 2HB SER A 3 -3.173 2.533 -3.512 1.00 0.00 H ATOM 48 HG SER A 3 -4.563 0.146 -2.869 1.00 0.00 H ATOM 49 N CYS A 4 -1.786 2.541 -5.921 1.00 0.00 N ATOM 50 CA CYS A 4 -0.552 2.888 -6.609 1.00 0.00 C ATOM 51 C CYS A 4 0.588 2.874 -5.592 1.00 0.00 C ATOM 52 O CYS A 4 0.446 3.409 -4.493 1.00 0.00 O ATOM 53 CB CYS A 4 -0.686 4.252 -7.296 1.00 0.00 C ATOM 54 SG CYS A 4 -2.062 4.450 -8.474 1.00 0.00 S ATOM 55 H CYS A 4 -2.228 3.265 -5.374 1.00 0.00 H ATOM 56 HA CYS A 4 -0.329 2.151 -7.377 1.00 0.00 H ATOM 57 1HB CYS A 4 -0.784 5.030 -6.538 1.00 0.00 H ATOM 58 2HB CYS A 4 0.239 4.434 -7.843 1.00 0.00 H ATOM 59 N HIS A 5 1.696 2.221 -5.956 1.00 0.00 N ATOM 60 CA HIS A 5 2.803 1.903 -5.068 1.00 0.00 C ATOM 61 C HIS A 5 4.131 2.102 -5.797 1.00 0.00 C ATOM 62 O HIS A 5 4.263 1.748 -6.969 1.00 0.00 O ATOM 63 CB HIS A 5 2.648 0.456 -4.578 1.00 0.00 C ATOM 64 CG HIS A 5 2.446 -0.544 -5.691 1.00 0.00 C ATOM 65 ND1 HIS A 5 1.178 -0.812 -6.206 1.00 0.00 N ATOM 66 CD2 HIS A 5 3.369 -1.283 -6.384 1.00 0.00 C ATOM 67 CE1 HIS A 5 1.385 -1.690 -7.191 1.00 0.00 C ATOM 68 NE2 HIS A 5 2.681 -2.009 -7.335 1.00 0.00 N ATOM 69 H HIS A 5 1.736 1.818 -6.884 1.00 0.00 H ATOM 70 HA HIS A 5 2.787 2.561 -4.198 1.00 0.00 H ATOM 71 1HB HIS A 5 3.530 0.176 -4.001 1.00 0.00 H ATOM 72 2HB HIS A 5 1.782 0.406 -3.917 1.00 0.00 H ATOM 73 HD2 HIS A 5 4.437 -1.279 -6.233 1.00 0.00 H ATOM 74 HE1 HIS A 5 0.595 -2.100 -7.801 1.00 0.00 H ATOM 75 HE2 HIS A 5 3.083 -2.644 -8.009 1.00 0.00 H ATOM 76 N PHE A 6 5.122 2.663 -5.093 1.00 0.00 N ATOM 77 CA PHE A 6 6.440 2.943 -5.645 1.00 0.00 C ATOM 78 C PHE A 6 7.327 1.698 -5.547 1.00 0.00 C ATOM 79 O PHE A 6 8.362 1.717 -4.883 1.00 0.00 O ATOM 80 CB PHE A 6 7.039 4.163 -4.931 1.00 0.00 C ATOM 81 CG PHE A 6 8.243 4.769 -5.626 1.00 0.00 C ATOM 82 CD1 PHE A 6 8.102 5.297 -6.921 1.00 0.00 C ATOM 83 CD2 PHE A 6 9.476 4.886 -4.957 1.00 0.00 C ATOM 84 CE1 PHE A 6 9.179 5.944 -7.546 1.00 0.00 C ATOM 85 CE2 PHE A 6 10.550 5.549 -5.575 1.00 0.00 C ATOM 86 CZ PHE A 6 10.403 6.078 -6.870 1.00 0.00 C ATOM 87 H PHE A 6 4.953 2.919 -4.132 1.00 0.00 H ATOM 88 HA PHE A 6 6.321 3.203 -6.693 1.00 0.00 H ATOM 89 1HB PHE A 6 6.278 4.941 -4.890 1.00 0.00 H ATOM 90 2HB PHE A 6 7.288 3.895 -3.904 1.00 0.00 H ATOM 91 HD1 PHE A 6 7.161 5.215 -7.437 1.00 0.00 H ATOM 92 HD2 PHE A 6 9.599 4.482 -3.963 1.00 0.00 H ATOM 93 HE1 PHE A 6 9.059 6.338 -8.545 1.00 0.00 H ATOM 94 HE2 PHE A 6 11.488 5.660 -5.052 1.00 0.00 H ATOM 95 HZ PHE A 6 11.233 6.577 -7.348 1.00 0.00 H ATOM 96 N GLY A 7 6.897 0.610 -6.199 1.00 0.00 N ATOM 97 CA GLY A 7 7.533 -0.697 -6.155 1.00 0.00 C ATOM 98 C GLY A 7 7.941 -1.128 -7.566 1.00 0.00 C ATOM 99 O GLY A 7 7.095 -1.087 -8.459 1.00 0.00 O ATOM 100 H GLY A 7 6.057 0.696 -6.758 1.00 0.00 H ATOM 101 1HA GLY A 7 8.360 -0.696 -5.451 1.00 0.00 H ATOM 102 2HA GLY A 7 6.801 -1.416 -5.787 1.00 0.00 H ATOM 103 N PRO A 8 9.193 -1.562 -7.800 1.00 0.00 N ATOM 104 CA PRO A 8 10.276 -1.677 -6.831 1.00 0.00 C ATOM 105 C PRO A 8 10.800 -0.296 -6.424 1.00 0.00 C ATOM 106 O PRO A 8 10.929 -0.016 -5.234 1.00 0.00 O ATOM 107 CB PRO A 8 11.354 -2.522 -7.518 1.00 0.00 C ATOM 108 CG PRO A 8 11.124 -2.283 -9.010 1.00 0.00 C ATOM 109 CD PRO A 8 9.613 -2.067 -9.098 1.00 0.00 C ATOM 110 HA PRO A 8 9.942 -2.216 -5.943 1.00 0.00 H ATOM 111 1HB PRO A 8 12.365 -2.256 -7.207 1.00 0.00 H ATOM 112 2HB PRO A 8 11.168 -3.576 -7.302 1.00 0.00 H ATOM 113 1HG PRO A 8 11.648 -1.382 -9.327 1.00 0.00 H ATOM 114 2HG PRO A 8 11.451 -3.130 -9.615 1.00 0.00 H ATOM 115 1HD PRO A 8 9.374 -1.368 -9.899 1.00 0.00 H ATOM 116 2HD PRO A 8 9.117 -3.021 -9.282 1.00 0.00 H ATOM 117 N LEU A 9 11.095 0.559 -7.410 1.00 0.00 N ATOM 118 CA LEU A 9 11.429 1.963 -7.202 1.00 0.00 C ATOM 119 C LEU A 9 10.786 2.804 -8.312 1.00 0.00 C ATOM 120 O LEU A 9 11.365 3.788 -8.769 1.00 0.00 O ATOM 121 CB LEU A 9 12.961 2.103 -7.147 1.00 0.00 C ATOM 122 CG LEU A 9 13.449 3.385 -6.450 1.00 0.00 C ATOM 123 CD1 LEU A 9 13.287 3.292 -4.926 1.00 0.00 C ATOM 124 CD2 LEU A 9 14.930 3.607 -6.777 1.00 0.00 C ATOM 125 H LEU A 9 10.975 0.254 -8.364 1.00 0.00 H ATOM 126 HA LEU A 9 10.991 2.293 -6.261 1.00 0.00 H ATOM 127 1HB LEU A 9 13.381 1.253 -6.606 1.00 0.00 H ATOM 128 2HB LEU A 9 13.345 2.068 -8.167 1.00 0.00 H ATOM 129 HG LEU A 9 12.894 4.248 -6.814 1.00 0.00 H ATOM 130 1HD1 LEU A 9 13.849 2.440 -4.541 1.00 0.00 H ATOM 131 2HD1 LEU A 9 13.665 4.203 -4.462 1.00 0.00 H ATOM 132 3HD1 LEU A 9 12.239 3.176 -4.653 1.00 0.00 H ATOM 133 1HD2 LEU A 9 15.521 2.757 -6.433 1.00 0.00 H ATOM 134 2HD2 LEU A 9 15.059 3.721 -7.853 1.00 0.00 H ATOM 135 3HD2 LEU A 9 15.286 4.513 -6.284 1.00 0.00 H ATOM 136 N THR A 10 9.603 2.384 -8.780 1.00 0.00 N ATOM 137 CA THR A 10 8.843 3.034 -9.838 1.00 0.00 C ATOM 138 C THR A 10 7.362 2.985 -9.471 1.00 0.00 C ATOM 139 O THR A 10 6.918 2.031 -8.833 1.00 0.00 O ATOM 140 CB THR A 10 9.095 2.338 -11.185 1.00 0.00 C ATOM 141 OG1 THR A 10 8.799 0.961 -11.089 1.00 0.00 O ATOM 142 CG2 THR A 10 10.543 2.507 -11.659 1.00 0.00 C ATOM 143 H THR A 10 9.172 1.572 -8.361 1.00 0.00 H ATOM 144 HA THR A 10 9.138 4.081 -9.922 1.00 0.00 H ATOM 145 HB THR A 10 8.439 2.784 -11.934 1.00 0.00 H ATOM 146 HG1 THR A 10 8.908 0.560 -11.954 1.00 0.00 H ATOM 147 1HG2 THR A 10 11.228 1.987 -10.989 1.00 0.00 H ATOM 148 2HG2 THR A 10 10.648 2.089 -12.660 1.00 0.00 H ATOM 149 3HG2 THR A 10 10.802 3.566 -11.690 1.00 0.00 H ATOM 150 N TRP A 11 6.596 4.006 -9.876 1.00 0.00 N ATOM 151 CA TRP A 11 5.168 4.072 -9.610 1.00 0.00 C ATOM 152 C TRP A 11 4.417 3.073 -10.488 1.00 0.00 C ATOM 153 O TRP A 11 4.034 3.391 -11.613 1.00 0.00 O ATOM 154 CB TRP A 11 4.652 5.504 -9.795 1.00 0.00 C ATOM 155 CG TRP A 11 5.007 6.428 -8.673 1.00 0.00 C ATOM 156 CD1 TRP A 11 5.877 7.461 -8.735 1.00 0.00 C ATOM 157 CD2 TRP A 11 4.539 6.384 -7.292 1.00 0.00 C ATOM 158 NE1 TRP A 11 5.987 8.056 -7.494 1.00 0.00 N ATOM 159 CE2 TRP A 11 5.183 7.427 -6.564 1.00 0.00 C ATOM 160 CE3 TRP A 11 3.642 5.560 -6.577 1.00 0.00 C ATOM 161 CZ2 TRP A 11 4.950 7.641 -5.197 1.00 0.00 C ATOM 162 CZ3 TRP A 11 3.399 5.768 -5.206 1.00 0.00 C ATOM 163 CH2 TRP A 11 4.051 6.805 -4.516 1.00 0.00 C ATOM 164 H TRP A 11 7.014 4.760 -10.399 1.00 0.00 H ATOM 165 HA TRP A 11 4.995 3.807 -8.567 1.00 0.00 H ATOM 166 1HB TRP A 11 5.016 5.907 -10.741 1.00 0.00 H ATOM 167 2HB TRP A 11 3.563 5.473 -9.838 1.00 0.00 H ATOM 168 HD1 TRP A 11 6.422 7.764 -9.616 1.00 0.00 H ATOM 169 HE1 TRP A 11 6.577 8.845 -7.271 1.00 0.00 H ATOM 170 HE3 TRP A 11 3.131 4.758 -7.090 1.00 0.00 H ATOM 171 HZ2 TRP A 11 5.457 8.439 -4.675 1.00 0.00 H ATOM 172 HZ3 TRP A 11 2.705 5.128 -4.680 1.00 0.00 H ATOM 173 HH2 TRP A 11 3.860 6.958 -3.464 1.00 0.00 H ATOM 174 N VAL A 12 4.193 1.872 -9.944 1.00 0.00 N ATOM 175 CA VAL A 12 3.375 0.828 -10.539 1.00 0.00 C ATOM 176 C VAL A 12 2.011 0.882 -9.854 1.00 0.00 C ATOM 177 O VAL A 12 1.938 1.065 -8.640 1.00 0.00 O ATOM 178 CB VAL A 12 4.063 -0.536 -10.353 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.176 -1.687 -10.848 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.389 -0.572 -11.126 1.00 0.00 C ATOM 181 H VAL A 12 4.541 1.702 -9.007 1.00 0.00 H ATOM 182 HA VAL A 12 3.249 1.008 -11.608 1.00 0.00 H ATOM 183 HB VAL A 12 4.275 -0.691 -9.295 1.00 0.00 H ATOM 184 1HG1 VAL A 12 2.912 -1.528 -11.893 1.00 0.00 H ATOM 185 2HG1 VAL A 12 3.714 -2.631 -10.757 1.00 0.00 H ATOM 186 3HG1 VAL A 12 2.264 -1.756 -10.255 1.00 0.00 H ATOM 187 1HG2 VAL A 12 5.206 -0.408 -12.189 1.00 0.00 H ATOM 188 2HG2 VAL A 12 6.065 0.200 -10.759 1.00 0.00 H ATOM 189 3HG2 VAL A 12 5.867 -1.542 -10.993 1.00 0.00 H ATOM 190 N CYS A 13 0.933 0.749 -10.634 1.00 0.00 N ATOM 191 CA CYS A 13 -0.428 0.820 -10.127 1.00 0.00 C ATOM 192 C CYS A 13 -1.280 -0.235 -10.826 1.00 0.00 C ATOM 193 O CYS A 13 -2.108 0.077 -11.680 1.00 0.00 O ATOM 194 CB CYS A 13 -0.955 2.254 -10.269 1.00 0.00 C ATOM 195 SG CYS A 13 -2.410 2.590 -9.246 1.00 0.00 S ATOM 196 H CYS A 13 1.057 0.611 -11.626 1.00 0.00 H ATOM 197 HA CYS A 13 -0.435 0.569 -9.065 1.00 0.00 H ATOM 198 1HB CYS A 13 -0.169 2.929 -9.932 1.00 0.00 H ATOM 199 2HB CYS A 13 -1.173 2.488 -11.311 1.00 0.00 H ATOM 200 N LYS A 14 -1.036 -1.496 -10.452 1.00 0.00 N ATOM 201 CA LYS A 14 -1.698 -2.687 -10.967 1.00 0.00 C ATOM 202 C LYS A 14 -2.304 -3.455 -9.783 1.00 0.00 C ATOM 203 O LYS A 14 -1.908 -3.196 -8.647 1.00 0.00 O ATOM 204 CB LYS A 14 -0.659 -3.540 -11.712 1.00 0.00 C ATOM 205 CG LYS A 14 -0.114 -2.812 -12.948 1.00 0.00 C ATOM 206 CD LYS A 14 0.888 -3.702 -13.692 1.00 0.00 C ATOM 207 CE LYS A 14 1.384 -3.046 -14.986 1.00 0.00 C ATOM 208 NZ LYS A 14 2.148 -1.814 -14.727 1.00 0.00 N ATOM 209 H LYS A 14 -0.351 -1.647 -9.727 1.00 0.00 H ATOM 210 HA LYS A 14 -2.485 -2.393 -11.660 1.00 0.00 H ATOM 211 1HB LYS A 14 0.165 -3.775 -11.038 1.00 0.00 H ATOM 212 2HB LYS A 14 -1.116 -4.474 -12.036 1.00 0.00 H ATOM 213 1HG LYS A 14 -0.943 -2.566 -13.613 1.00 0.00 H ATOM 214 2HG LYS A 14 0.380 -1.890 -12.642 1.00 0.00 H ATOM 215 1HD LYS A 14 1.740 -3.917 -13.044 1.00 0.00 H ATOM 216 2HD LYS A 14 0.402 -4.644 -13.950 1.00 0.00 H ATOM 217 1HE LYS A 14 2.032 -3.749 -15.510 1.00 0.00 H ATOM 218 2HE LYS A 14 0.533 -2.812 -15.627 1.00 0.00 H ATOM 219 1HZ LYS A 14 2.941 -2.026 -14.139 1.00 0.00 H ATOM 220 2HZ LYS A 14 2.474 -1.431 -15.603 1.00 0.00 H ATOM 221 3HZ LYS A 14 1.557 -1.138 -14.266 1.00 0.00 H ATOM 222 N PRO A 15 -3.252 -4.385 -10.012 1.00 0.00 N ATOM 223 CA PRO A 15 -3.893 -5.165 -8.961 1.00 0.00 C ATOM 224 C PRO A 15 -2.895 -5.816 -7.998 1.00 0.00 C ATOM 225 O PRO A 15 -2.170 -6.734 -8.376 1.00 0.00 O ATOM 226 CB PRO A 15 -4.765 -6.197 -9.681 1.00 0.00 C ATOM 227 CG PRO A 15 -5.153 -5.457 -10.956 1.00 0.00 C ATOM 228 CD PRO A 15 -3.874 -4.691 -11.294 1.00 0.00 C ATOM 229 HA PRO A 15 -4.545 -4.489 -8.413 1.00 0.00 H ATOM 230 1HB PRO A 15 -4.179 -7.077 -9.951 1.00 0.00 H ATOM 231 2HB PRO A 15 -5.633 -6.492 -9.091 1.00 0.00 H ATOM 232 1HG PRO A 15 -5.455 -6.135 -11.755 1.00 0.00 H ATOM 233 2HG PRO A 15 -5.955 -4.751 -10.734 1.00 0.00 H ATOM 234 1HD PRO A 15 -3.216 -5.336 -11.876 1.00 0.00 H ATOM 235 2HD PRO A 15 -4.134 -3.800 -11.865 1.00 0.00 H ATOM 236 N GLN A 16 -2.856 -5.318 -6.757 1.00 0.00 N ATOM 237 CA GLN A 16 -1.919 -5.758 -5.735 1.00 0.00 C ATOM 238 C GLN A 16 -2.387 -7.079 -5.123 1.00 0.00 C ATOM 239 O GLN A 16 -1.671 -8.076 -5.169 1.00 0.00 O ATOM 240 CB GLN A 16 -1.758 -4.668 -4.667 1.00 0.00 C ATOM 241 CG GLN A 16 -1.185 -3.378 -5.267 1.00 0.00 C ATOM 242 CD GLN A 16 -0.879 -2.345 -4.188 1.00 0.00 C ATOM 243 OE1 GLN A 16 -1.639 -1.399 -3.997 1.00 0.00 O ATOM 244 NE2 GLN A 16 0.237 -2.519 -3.478 1.00 0.00 N ATOM 245 H GLN A 16 -3.471 -4.552 -6.525 1.00 0.00 H ATOM 246 HA GLN A 16 -0.941 -5.921 -6.194 1.00 0.00 H ATOM 247 1HB GLN A 16 -2.721 -4.450 -4.203 1.00 0.00 H ATOM 248 2HB GLN A 16 -1.075 -5.036 -3.899 1.00 0.00 H ATOM 249 1HG GLN A 16 -0.267 -3.609 -5.808 1.00 0.00 H ATOM 250 2HG GLN A 16 -1.901 -2.946 -5.966 1.00 0.00 H ATOM 251 1HE2 GLN A 16 0.840 -3.305 -3.669 1.00 0.00 H ATOM 252 2HE2 GLN A 16 0.479 -1.853 -2.760 1.00 0.00 H HETATM 253 N NH2 A 17 -3.590 -7.093 -4.545 1.00 0.00 N HETATM 254 1HN NH2 A 17 -3.935 -7.947 -4.132 1.00 0.00 H HETATM 255 2HN NH2 A 17 -4.150 -6.254 -4.526 1.00 0.00 H TER 256 NH2 A 17 ENDMDL MODEL 12 ATOM 1 N THR A 1 -11.850 0.185 -7.082 1.00 0.00 N ATOM 2 CA THR A 1 -11.472 -0.398 -8.383 1.00 0.00 C ATOM 3 C THR A 1 -10.065 -0.995 -8.330 1.00 0.00 C ATOM 4 O THR A 1 -9.901 -2.207 -8.458 1.00 0.00 O ATOM 5 CB THR A 1 -11.614 0.625 -9.524 1.00 0.00 C ATOM 6 OG1 THR A 1 -10.865 1.793 -9.250 1.00 0.00 O ATOM 7 CG2 THR A 1 -13.078 1.014 -9.754 1.00 0.00 C ATOM 8 1H THR A 1 -12.804 0.512 -7.119 1.00 0.00 H ATOM 9 2H THR A 1 -11.765 -0.519 -6.362 1.00 0.00 H ATOM 10 3H THR A 1 -11.235 0.958 -6.870 1.00 0.00 H ATOM 11 HA THR A 1 -12.164 -1.217 -8.583 1.00 0.00 H ATOM 12 HB THR A 1 -11.239 0.174 -10.443 1.00 0.00 H ATOM 13 HG1 THR A 1 -11.264 2.249 -8.505 1.00 0.00 H ATOM 14 1HG2 THR A 1 -13.488 1.511 -8.875 1.00 0.00 H ATOM 15 2HG2 THR A 1 -13.141 1.694 -10.605 1.00 0.00 H ATOM 16 3HG2 THR A 1 -13.668 0.123 -9.972 1.00 0.00 H ATOM 17 N TYR A 2 -9.056 -0.142 -8.123 1.00 0.00 N ATOM 18 CA TYR A 2 -7.661 -0.532 -7.982 1.00 0.00 C ATOM 19 C TYR A 2 -6.904 0.527 -7.179 1.00 0.00 C ATOM 20 O TYR A 2 -7.465 1.568 -6.837 1.00 0.00 O ATOM 21 CB TYR A 2 -7.028 -0.766 -9.357 1.00 0.00 C ATOM 22 CG TYR A 2 -6.840 0.471 -10.214 1.00 0.00 C ATOM 23 CD1 TYR A 2 -7.920 0.989 -10.951 1.00 0.00 C ATOM 24 CD2 TYR A 2 -5.571 1.071 -10.320 1.00 0.00 C ATOM 25 CE1 TYR A 2 -7.744 2.127 -11.756 1.00 0.00 C ATOM 26 CE2 TYR A 2 -5.391 2.200 -11.137 1.00 0.00 C ATOM 27 CZ TYR A 2 -6.480 2.734 -11.848 1.00 0.00 C ATOM 28 OH TYR A 2 -6.311 3.838 -12.632 1.00 0.00 O ATOM 29 H TYR A 2 -9.266 0.844 -8.045 1.00 0.00 H ATOM 30 HA TYR A 2 -7.603 -1.473 -7.436 1.00 0.00 H ATOM 31 1HB TYR A 2 -6.053 -1.214 -9.184 1.00 0.00 H ATOM 32 2HB TYR A 2 -7.632 -1.488 -9.908 1.00 0.00 H ATOM 33 HD1 TYR A 2 -8.886 0.511 -10.907 1.00 0.00 H ATOM 34 HD2 TYR A 2 -4.727 0.665 -9.783 1.00 0.00 H ATOM 35 HE1 TYR A 2 -8.580 2.529 -12.310 1.00 0.00 H ATOM 36 HE2 TYR A 2 -4.415 2.652 -11.221 1.00 0.00 H ATOM 37 HH TYR A 2 -5.412 4.175 -12.625 1.00 0.00 H ATOM 38 N SER A 3 -5.628 0.254 -6.883 1.00 0.00 N ATOM 39 CA SER A 3 -4.738 1.160 -6.173 1.00 0.00 C ATOM 40 C SER A 3 -3.344 1.103 -6.800 1.00 0.00 C ATOM 41 O SER A 3 -3.082 0.265 -7.664 1.00 0.00 O ATOM 42 CB SER A 3 -4.713 0.787 -4.685 1.00 0.00 C ATOM 43 OG SER A 3 -4.019 1.763 -3.936 1.00 0.00 O ATOM 44 H SER A 3 -5.226 -0.611 -7.216 1.00 0.00 H ATOM 45 HA SER A 3 -5.103 2.184 -6.271 1.00 0.00 H ATOM 46 1HB SER A 3 -5.734 0.726 -4.306 1.00 0.00 H ATOM 47 2HB SER A 3 -4.229 -0.181 -4.556 1.00 0.00 H ATOM 48 HG SER A 3 -4.514 2.585 -3.966 1.00 0.00 H ATOM 49 N CYS A 4 -2.459 2.011 -6.370 1.00 0.00 N ATOM 50 CA CYS A 4 -1.090 2.113 -6.853 1.00 0.00 C ATOM 51 C CYS A 4 -0.147 2.420 -5.689 1.00 0.00 C ATOM 52 O CYS A 4 -0.576 2.958 -4.668 1.00 0.00 O ATOM 53 CB CYS A 4 -0.988 3.190 -7.942 1.00 0.00 C ATOM 54 SG CYS A 4 -2.246 3.172 -9.252 1.00 0.00 S ATOM 55 H CYS A 4 -2.729 2.630 -5.619 1.00 0.00 H ATOM 56 HA CYS A 4 -0.789 1.147 -7.254 1.00 0.00 H ATOM 57 1HB CYS A 4 -1.067 4.165 -7.464 1.00 0.00 H ATOM 58 2HB CYS A 4 -0.006 3.111 -8.403 1.00 0.00 H ATOM 59 N HIS A 5 1.129 2.052 -5.845 1.00 0.00 N ATOM 60 CA HIS A 5 2.149 2.120 -4.808 1.00 0.00 C ATOM 61 C HIS A 5 3.482 2.586 -5.395 1.00 0.00 C ATOM 62 O HIS A 5 3.674 2.559 -6.611 1.00 0.00 O ATOM 63 CB HIS A 5 2.304 0.736 -4.161 1.00 0.00 C ATOM 64 CG HIS A 5 2.906 -0.299 -5.083 1.00 0.00 C ATOM 65 ND1 HIS A 5 2.270 -0.690 -6.261 1.00 0.00 N ATOM 66 CD2 HIS A 5 4.096 -0.972 -4.982 1.00 0.00 C ATOM 67 CE1 HIS A 5 3.111 -1.554 -6.836 1.00 0.00 C ATOM 68 NE2 HIS A 5 4.220 -1.757 -6.108 1.00 0.00 N ATOM 69 H HIS A 5 1.411 1.633 -6.724 1.00 0.00 H ATOM 70 HA HIS A 5 1.849 2.834 -4.039 1.00 0.00 H ATOM 71 1HB HIS A 5 2.947 0.829 -3.285 1.00 0.00 H ATOM 72 2HB HIS A 5 1.328 0.383 -3.826 1.00 0.00 H ATOM 73 HD2 HIS A 5 4.813 -0.888 -4.180 1.00 0.00 H ATOM 74 HE1 HIS A 5 2.914 -2.045 -7.777 1.00 0.00 H ATOM 75 HE2 HIS A 5 5.000 -2.358 -6.336 1.00 0.00 H ATOM 76 N PHE A 6 4.418 2.972 -4.518 1.00 0.00 N ATOM 77 CA PHE A 6 5.794 3.233 -4.910 1.00 0.00 C ATOM 78 C PHE A 6 6.575 1.922 -4.933 1.00 0.00 C ATOM 79 O PHE A 6 6.450 1.107 -4.021 1.00 0.00 O ATOM 80 CB PHE A 6 6.471 4.235 -3.970 1.00 0.00 C ATOM 81 CG PHE A 6 7.907 4.514 -4.378 1.00 0.00 C ATOM 82 CD1 PHE A 6 8.165 5.182 -5.592 1.00 0.00 C ATOM 83 CD2 PHE A 6 8.966 3.891 -3.691 1.00 0.00 C ATOM 84 CE1 PHE A 6 9.470 5.231 -6.110 1.00 0.00 C ATOM 85 CE2 PHE A 6 10.273 3.947 -4.205 1.00 0.00 C ATOM 86 CZ PHE A 6 10.525 4.614 -5.415 1.00 0.00 C ATOM 87 H PHE A 6 4.200 2.965 -3.532 1.00 0.00 H ATOM 88 HA PHE A 6 5.798 3.674 -5.905 1.00 0.00 H ATOM 89 1HB PHE A 6 5.919 5.174 -3.976 1.00 0.00 H ATOM 90 2HB PHE A 6 6.449 3.840 -2.953 1.00 0.00 H ATOM 91 HD1 PHE A 6 7.357 5.634 -6.148 1.00 0.00 H ATOM 92 HD2 PHE A 6 8.776 3.337 -2.782 1.00 0.00 H ATOM 93 HE1 PHE A 6 9.663 5.734 -7.046 1.00 0.00 H ATOM 94 HE2 PHE A 6 11.081 3.462 -3.678 1.00 0.00 H ATOM 95 HZ PHE A 6 11.528 4.647 -5.816 1.00 0.00 H ATOM 96 N GLY A 7 7.406 1.750 -5.963 1.00 0.00 N ATOM 97 CA GLY A 7 8.286 0.610 -6.139 1.00 0.00 C ATOM 98 C GLY A 7 7.678 -0.401 -7.116 1.00 0.00 C ATOM 99 O GLY A 7 6.537 -0.225 -7.539 1.00 0.00 O ATOM 100 H GLY A 7 7.436 2.453 -6.689 1.00 0.00 H ATOM 101 1HA GLY A 7 9.205 1.021 -6.548 1.00 0.00 H ATOM 102 2HA GLY A 7 8.503 0.130 -5.184 1.00 0.00 H ATOM 103 N PRO A 8 8.408 -1.471 -7.480 1.00 0.00 N ATOM 104 CA PRO A 8 9.717 -1.856 -6.962 1.00 0.00 C ATOM 105 C PRO A 8 10.812 -0.814 -7.200 1.00 0.00 C ATOM 106 O PRO A 8 11.540 -0.478 -6.268 1.00 0.00 O ATOM 107 CB PRO A 8 10.060 -3.185 -7.648 1.00 0.00 C ATOM 108 CG PRO A 8 8.690 -3.769 -7.984 1.00 0.00 C ATOM 109 CD PRO A 8 7.883 -2.521 -8.336 1.00 0.00 C ATOM 110 HA PRO A 8 9.616 -2.041 -5.891 1.00 0.00 H ATOM 111 1HB PRO A 8 10.599 -3.007 -8.580 1.00 0.00 H ATOM 112 2HB PRO A 8 10.641 -3.843 -7.002 1.00 0.00 H ATOM 113 1HG PRO A 8 8.732 -4.484 -8.807 1.00 0.00 H ATOM 114 2HG PRO A 8 8.267 -4.238 -7.094 1.00 0.00 H ATOM 115 1HD PRO A 8 8.057 -2.250 -9.378 1.00 0.00 H ATOM 116 2HD PRO A 8 6.820 -2.703 -8.171 1.00 0.00 H ATOM 117 N LEU A 9 10.914 -0.298 -8.433 1.00 0.00 N ATOM 118 CA LEU A 9 11.887 0.720 -8.816 1.00 0.00 C ATOM 119 C LEU A 9 11.182 2.078 -8.883 1.00 0.00 C ATOM 120 O LEU A 9 11.478 2.967 -8.087 1.00 0.00 O ATOM 121 CB LEU A 9 12.555 0.313 -10.142 1.00 0.00 C ATOM 122 CG LEU A 9 13.964 0.898 -10.340 1.00 0.00 C ATOM 123 CD1 LEU A 9 14.541 0.372 -11.659 1.00 0.00 C ATOM 124 CD2 LEU A 9 13.993 2.431 -10.357 1.00 0.00 C ATOM 125 H LEU A 9 10.271 -0.617 -9.142 1.00 0.00 H ATOM 126 HA LEU A 9 12.673 0.773 -8.061 1.00 0.00 H ATOM 127 1HB LEU A 9 12.668 -0.773 -10.137 1.00 0.00 H ATOM 128 2HB LEU A 9 11.921 0.574 -10.990 1.00 0.00 H ATOM 129 HG LEU A 9 14.607 0.551 -9.529 1.00 0.00 H ATOM 130 1HD1 LEU A 9 14.557 -0.719 -11.649 1.00 0.00 H ATOM 131 2HD1 LEU A 9 13.931 0.712 -12.496 1.00 0.00 H ATOM 132 3HD1 LEU A 9 15.561 0.735 -11.790 1.00 0.00 H ATOM 133 1HD2 LEU A 9 13.279 2.814 -11.084 1.00 0.00 H ATOM 134 2HD2 LEU A 9 13.759 2.824 -9.369 1.00 0.00 H ATOM 135 3HD2 LEU A 9 14.992 2.775 -10.626 1.00 0.00 H ATOM 136 N THR A 10 10.235 2.225 -9.817 1.00 0.00 N ATOM 137 CA THR A 10 9.447 3.435 -10.020 1.00 0.00 C ATOM 138 C THR A 10 8.080 3.263 -9.355 1.00 0.00 C ATOM 139 O THR A 10 7.819 2.239 -8.730 1.00 0.00 O ATOM 140 CB THR A 10 9.283 3.681 -11.531 1.00 0.00 C ATOM 141 OG1 THR A 10 8.562 2.619 -12.126 1.00 0.00 O ATOM 142 CG2 THR A 10 10.636 3.820 -12.236 1.00 0.00 C ATOM 143 H THR A 10 10.027 1.446 -10.425 1.00 0.00 H ATOM 144 HA THR A 10 9.946 4.299 -9.580 1.00 0.00 H ATOM 145 HB THR A 10 8.732 4.608 -11.691 1.00 0.00 H ATOM 146 HG1 THR A 10 7.652 2.647 -11.817 1.00 0.00 H ATOM 147 1HG2 THR A 10 11.174 2.872 -12.221 1.00 0.00 H ATOM 148 2HG2 THR A 10 10.474 4.111 -13.274 1.00 0.00 H ATOM 149 3HG2 THR A 10 11.235 4.586 -11.742 1.00 0.00 H ATOM 150 N TRP A 11 7.189 4.247 -9.518 1.00 0.00 N ATOM 151 CA TRP A 11 5.796 4.097 -9.126 1.00 0.00 C ATOM 152 C TRP A 11 5.120 3.102 -10.072 1.00 0.00 C ATOM 153 O TRP A 11 5.394 3.118 -11.273 1.00 0.00 O ATOM 154 CB TRP A 11 5.101 5.461 -9.150 1.00 0.00 C ATOM 155 CG TRP A 11 3.703 5.465 -8.612 1.00 0.00 C ATOM 156 CD1 TRP A 11 2.583 5.232 -9.331 1.00 0.00 C ATOM 157 CD2 TRP A 11 3.255 5.685 -7.241 1.00 0.00 C ATOM 158 NE1 TRP A 11 1.476 5.299 -8.511 1.00 0.00 N ATOM 159 CE2 TRP A 11 1.836 5.557 -7.204 1.00 0.00 C ATOM 160 CE3 TRP A 11 3.902 5.989 -6.025 1.00 0.00 C ATOM 161 CZ2 TRP A 11 1.101 5.704 -6.017 1.00 0.00 C ATOM 162 CZ3 TRP A 11 3.177 6.125 -4.826 1.00 0.00 C ATOM 163 CH2 TRP A 11 1.780 5.972 -4.819 1.00 0.00 C ATOM 164 H TRP A 11 7.449 5.076 -10.030 1.00 0.00 H ATOM 165 HA TRP A 11 5.759 3.711 -8.109 1.00 0.00 H ATOM 166 1HB TRP A 11 5.687 6.157 -8.548 1.00 0.00 H ATOM 167 2HB TRP A 11 5.086 5.835 -10.175 1.00 0.00 H ATOM 168 HD1 TRP A 11 2.555 5.023 -10.390 1.00 0.00 H ATOM 169 HE1 TRP A 11 0.520 5.172 -8.809 1.00 0.00 H ATOM 170 HE3 TRP A 11 4.973 6.122 -6.016 1.00 0.00 H ATOM 171 HZ2 TRP A 11 0.026 5.618 -6.019 1.00 0.00 H ATOM 172 HZ3 TRP A 11 3.695 6.352 -3.906 1.00 0.00 H ATOM 173 HH2 TRP A 11 1.229 6.075 -3.896 1.00 0.00 H ATOM 174 N VAL A 12 4.269 2.223 -9.528 1.00 0.00 N ATOM 175 CA VAL A 12 3.582 1.173 -10.274 1.00 0.00 C ATOM 176 C VAL A 12 2.146 1.063 -9.759 1.00 0.00 C ATOM 177 O VAL A 12 1.900 1.244 -8.568 1.00 0.00 O ATOM 178 CB VAL A 12 4.346 -0.160 -10.133 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.599 -1.325 -10.796 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.745 -0.076 -10.759 1.00 0.00 C ATOM 181 H VAL A 12 4.081 2.274 -8.534 1.00 0.00 H ATOM 182 HA VAL A 12 3.539 1.440 -11.331 1.00 0.00 H ATOM 183 HB VAL A 12 4.455 -0.392 -9.074 1.00 0.00 H ATOM 184 1HG1 VAL A 12 3.377 -1.086 -11.836 1.00 0.00 H ATOM 185 2HG1 VAL A 12 4.212 -2.226 -10.761 1.00 0.00 H ATOM 186 3HG1 VAL A 12 2.672 -1.533 -10.264 1.00 0.00 H ATOM 187 1HG2 VAL A 12 5.669 0.211 -11.808 1.00 0.00 H ATOM 188 2HG2 VAL A 12 6.359 0.651 -10.232 1.00 0.00 H ATOM 189 3HG2 VAL A 12 6.239 -1.045 -10.692 1.00 0.00 H ATOM 190 N CYS A 13 1.204 0.761 -10.662 1.00 0.00 N ATOM 191 CA CYS A 13 -0.196 0.519 -10.341 1.00 0.00 C ATOM 192 C CYS A 13 -0.500 -0.977 -10.330 1.00 0.00 C ATOM 193 O CYS A 13 0.140 -1.751 -11.040 1.00 0.00 O ATOM 194 CB CYS A 13 -1.100 1.271 -11.320 1.00 0.00 C ATOM 195 SG CYS A 13 -1.210 3.053 -11.009 1.00 0.00 S ATOM 196 H CYS A 13 1.486 0.616 -11.621 1.00 0.00 H ATOM 197 HA CYS A 13 -0.411 0.894 -9.348 1.00 0.00 H ATOM 198 1HB CYS A 13 -0.745 1.108 -12.338 1.00 0.00 H ATOM 199 2HB CYS A 13 -2.113 0.873 -11.247 1.00 0.00 H ATOM 200 N LYS A 14 -1.485 -1.365 -9.511 1.00 0.00 N ATOM 201 CA LYS A 14 -1.909 -2.742 -9.304 1.00 0.00 C ATOM 202 C LYS A 14 -3.377 -2.879 -9.729 1.00 0.00 C ATOM 203 O LYS A 14 -4.249 -2.944 -8.864 1.00 0.00 O ATOM 204 CB LYS A 14 -1.717 -3.112 -7.824 1.00 0.00 C ATOM 205 CG LYS A 14 -0.239 -3.071 -7.410 1.00 0.00 C ATOM 206 CD LYS A 14 -0.040 -3.367 -5.917 1.00 0.00 C ATOM 207 CE LYS A 14 -0.447 -4.794 -5.532 1.00 0.00 C ATOM 208 NZ LYS A 14 -0.096 -5.086 -4.132 1.00 0.00 N ATOM 209 H LYS A 14 -1.964 -0.660 -8.966 1.00 0.00 H ATOM 210 HA LYS A 14 -1.301 -3.438 -9.880 1.00 0.00 H ATOM 211 1HB LYS A 14 -2.281 -2.422 -7.194 1.00 0.00 H ATOM 212 2HB LYS A 14 -2.102 -4.121 -7.676 1.00 0.00 H ATOM 213 1HG LYS A 14 0.327 -3.790 -8.004 1.00 0.00 H ATOM 214 2HG LYS A 14 0.158 -2.075 -7.603 1.00 0.00 H ATOM 215 1HD LYS A 14 1.017 -3.238 -5.684 1.00 0.00 H ATOM 216 2HD LYS A 14 -0.612 -2.651 -5.326 1.00 0.00 H ATOM 217 1HE LYS A 14 -1.524 -4.921 -5.644 1.00 0.00 H ATOM 218 2HE LYS A 14 0.066 -5.507 -6.177 1.00 0.00 H ATOM 219 1HZ LYS A 14 -0.575 -4.439 -3.522 1.00 0.00 H ATOM 220 2HZ LYS A 14 -0.374 -6.030 -3.905 1.00 0.00 H ATOM 221 3HZ LYS A 14 0.902 -4.991 -4.007 1.00 0.00 H ATOM 222 N PRO A 15 -3.675 -2.918 -11.041 1.00 0.00 N ATOM 223 CA PRO A 15 -5.035 -3.021 -11.549 1.00 0.00 C ATOM 224 C PRO A 15 -5.631 -4.387 -11.198 1.00 0.00 C ATOM 225 O PRO A 15 -5.239 -5.405 -11.765 1.00 0.00 O ATOM 226 CB PRO A 15 -4.932 -2.797 -13.061 1.00 0.00 C ATOM 227 CG PRO A 15 -3.513 -3.253 -13.391 1.00 0.00 C ATOM 228 CD PRO A 15 -2.728 -2.848 -12.144 1.00 0.00 C ATOM 229 HA PRO A 15 -5.658 -2.232 -11.130 1.00 0.00 H ATOM 230 1HB PRO A 15 -5.688 -3.345 -13.625 1.00 0.00 H ATOM 231 2HB PRO A 15 -5.016 -1.729 -13.269 1.00 0.00 H ATOM 232 1HG PRO A 15 -3.493 -4.339 -13.498 1.00 0.00 H ATOM 233 2HG PRO A 15 -3.125 -2.781 -14.294 1.00 0.00 H ATOM 234 1HD PRO A 15 -1.881 -3.521 -12.015 1.00 0.00 H ATOM 235 2HD PRO A 15 -2.385 -1.820 -12.258 1.00 0.00 H ATOM 236 N GLN A 16 -6.575 -4.397 -10.250 1.00 0.00 N ATOM 237 CA GLN A 16 -7.206 -5.609 -9.748 1.00 0.00 C ATOM 238 C GLN A 16 -8.114 -6.219 -10.818 1.00 0.00 C ATOM 239 O GLN A 16 -7.992 -7.398 -11.141 1.00 0.00 O ATOM 240 CB GLN A 16 -7.995 -5.298 -8.469 1.00 0.00 C ATOM 241 CG GLN A 16 -7.096 -4.714 -7.370 1.00 0.00 C ATOM 242 CD GLN A 16 -7.861 -4.500 -6.066 1.00 0.00 C ATOM 243 OE1 GLN A 16 -7.520 -5.085 -5.041 1.00 0.00 O ATOM 244 NE2 GLN A 16 -8.896 -3.658 -6.095 1.00 0.00 N ATOM 245 H GLN A 16 -6.839 -3.522 -9.822 1.00 0.00 H ATOM 246 HA GLN A 16 -6.428 -6.332 -9.498 1.00 0.00 H ATOM 247 1HB GLN A 16 -8.794 -4.593 -8.700 1.00 0.00 H ATOM 248 2HB GLN A 16 -8.442 -6.223 -8.102 1.00 0.00 H ATOM 249 1HG GLN A 16 -6.269 -5.400 -7.186 1.00 0.00 H ATOM 250 2HG GLN A 16 -6.686 -3.756 -7.687 1.00 0.00 H ATOM 251 1HE2 GLN A 16 -9.157 -3.201 -6.960 1.00 0.00 H ATOM 252 2HE2 GLN A 16 -9.425 -3.491 -5.252 1.00 0.00 H HETATM 253 N NH2 A 17 -9.029 -5.419 -11.371 1.00 0.00 N HETATM 254 1HN NH2 A 17 -9.647 -5.783 -12.081 1.00 0.00 H HETATM 255 2HN NH2 A 17 -9.097 -4.455 -11.078 1.00 0.00 H TER 256 NH2 A 17 ENDMDL MODEL 13 ATOM 1 N THR A 1 -10.704 -1.076 -6.890 1.00 0.00 N ATOM 2 CA THR A 1 -10.354 -0.767 -8.290 1.00 0.00 C ATOM 3 C THR A 1 -8.871 -1.008 -8.585 1.00 0.00 C ATOM 4 O THR A 1 -8.541 -1.519 -9.652 1.00 0.00 O ATOM 5 CB THR A 1 -10.813 0.646 -8.690 1.00 0.00 C ATOM 6 OG1 THR A 1 -10.582 0.866 -10.066 1.00 0.00 O ATOM 7 CG2 THR A 1 -10.166 1.769 -7.870 1.00 0.00 C ATOM 8 1H THR A 1 -10.442 -2.029 -6.682 1.00 0.00 H ATOM 9 2H THR A 1 -10.212 -0.450 -6.269 1.00 0.00 H ATOM 10 3H THR A 1 -11.699 -0.965 -6.760 1.00 0.00 H ATOM 11 HA THR A 1 -10.919 -1.468 -8.906 1.00 0.00 H ATOM 12 HB THR A 1 -11.889 0.708 -8.538 1.00 0.00 H ATOM 13 HG1 THR A 1 -9.654 0.711 -10.254 1.00 0.00 H ATOM 14 1HG2 THR A 1 -10.564 2.729 -8.200 1.00 0.00 H ATOM 15 2HG2 THR A 1 -10.394 1.645 -6.811 1.00 0.00 H ATOM 16 3HG2 THR A 1 -9.086 1.779 -8.004 1.00 0.00 H ATOM 17 N TYR A 2 -7.988 -0.634 -7.649 1.00 0.00 N ATOM 18 CA TYR A 2 -6.541 -0.787 -7.740 1.00 0.00 C ATOM 19 C TYR A 2 -5.889 -0.260 -6.462 1.00 0.00 C ATOM 20 O TYR A 2 -6.566 0.294 -5.595 1.00 0.00 O ATOM 21 CB TYR A 2 -5.981 -0.069 -8.981 1.00 0.00 C ATOM 22 CG TYR A 2 -6.481 1.346 -9.210 1.00 0.00 C ATOM 23 CD1 TYR A 2 -6.090 2.393 -8.355 1.00 0.00 C ATOM 24 CD2 TYR A 2 -7.338 1.616 -10.294 1.00 0.00 C ATOM 25 CE1 TYR A 2 -6.556 3.699 -8.580 1.00 0.00 C ATOM 26 CE2 TYR A 2 -7.798 2.922 -10.523 1.00 0.00 C ATOM 27 CZ TYR A 2 -7.408 3.965 -9.665 1.00 0.00 C ATOM 28 OH TYR A 2 -7.857 5.235 -9.881 1.00 0.00 O ATOM 29 H TYR A 2 -8.332 -0.206 -6.801 1.00 0.00 H ATOM 30 HA TYR A 2 -6.304 -1.849 -7.814 1.00 0.00 H ATOM 31 1HB TYR A 2 -4.893 -0.053 -8.936 1.00 0.00 H ATOM 32 2HB TYR A 2 -6.233 -0.662 -9.853 1.00 0.00 H ATOM 33 HD1 TYR A 2 -5.422 2.207 -7.528 1.00 0.00 H ATOM 34 HD2 TYR A 2 -7.669 0.820 -10.944 1.00 0.00 H ATOM 35 HE1 TYR A 2 -6.253 4.499 -7.921 1.00 0.00 H ATOM 36 HE2 TYR A 2 -8.455 3.115 -11.358 1.00 0.00 H ATOM 37 HH TYR A 2 -8.432 5.309 -10.645 1.00 0.00 H ATOM 38 N SER A 3 -4.563 -0.407 -6.376 1.00 0.00 N ATOM 39 CA SER A 3 -3.725 0.201 -5.357 1.00 0.00 C ATOM 40 C SER A 3 -2.454 0.696 -6.045 1.00 0.00 C ATOM 41 O SER A 3 -1.707 -0.108 -6.601 1.00 0.00 O ATOM 42 CB SER A 3 -3.421 -0.825 -4.261 1.00 0.00 C ATOM 43 OG SER A 3 -2.595 -0.253 -3.269 1.00 0.00 O ATOM 44 H SER A 3 -4.086 -0.892 -7.123 1.00 0.00 H ATOM 45 HA SER A 3 -4.241 1.049 -4.904 1.00 0.00 H ATOM 46 1HB SER A 3 -4.353 -1.153 -3.799 1.00 0.00 H ATOM 47 2HB SER A 3 -2.917 -1.692 -4.689 1.00 0.00 H ATOM 48 HG SER A 3 -3.063 0.479 -2.860 1.00 0.00 H ATOM 49 N CYS A 4 -2.227 2.016 -6.027 1.00 0.00 N ATOM 50 CA CYS A 4 -1.087 2.646 -6.677 1.00 0.00 C ATOM 51 C CYS A 4 -0.014 2.923 -5.625 1.00 0.00 C ATOM 52 O CYS A 4 -0.293 3.554 -4.607 1.00 0.00 O ATOM 53 CB CYS A 4 -1.519 3.929 -7.396 1.00 0.00 C ATOM 54 SG CYS A 4 -2.834 3.807 -8.648 1.00 0.00 S ATOM 55 H CYS A 4 -2.877 2.619 -5.545 1.00 0.00 H ATOM 56 HA CYS A 4 -0.666 1.979 -7.428 1.00 0.00 H ATOM 57 1HB CYS A 4 -1.835 4.668 -6.659 1.00 0.00 H ATOM 58 2HB CYS A 4 -0.639 4.315 -7.908 1.00 0.00 H ATOM 59 N HIS A 5 1.196 2.406 -5.864 1.00 0.00 N ATOM 60 CA HIS A 5 2.295 2.364 -4.910 1.00 0.00 C ATOM 61 C HIS A 5 3.622 2.665 -5.611 1.00 0.00 C ATOM 62 O HIS A 5 3.682 2.725 -6.838 1.00 0.00 O ATOM 63 CB HIS A 5 2.333 0.966 -4.276 1.00 0.00 C ATOM 64 CG HIS A 5 2.671 -0.117 -5.272 1.00 0.00 C ATOM 65 ND1 HIS A 5 1.732 -0.584 -6.192 1.00 0.00 N ATOM 66 CD2 HIS A 5 3.865 -0.747 -5.502 1.00 0.00 C ATOM 67 CE1 HIS A 5 2.400 -1.455 -6.952 1.00 0.00 C ATOM 68 NE2 HIS A 5 3.683 -1.590 -6.579 1.00 0.00 N ATOM 69 H HIS A 5 1.349 1.920 -6.739 1.00 0.00 H ATOM 70 HA HIS A 5 2.143 3.107 -4.126 1.00 0.00 H ATOM 71 1HB HIS A 5 3.079 0.953 -3.481 1.00 0.00 H ATOM 72 2HB HIS A 5 1.361 0.747 -3.831 1.00 0.00 H ATOM 73 HD2 HIS A 5 4.785 -0.590 -4.961 1.00 0.00 H ATOM 74 HE1 HIS A 5 1.955 -1.996 -7.773 1.00 0.00 H ATOM 75 HE2 HIS A 5 4.384 -2.182 -7.001 1.00 0.00 H ATOM 76 N PHE A 6 4.692 2.804 -4.819 1.00 0.00 N ATOM 77 CA PHE A 6 6.060 2.883 -5.309 1.00 0.00 C ATOM 78 C PHE A 6 6.746 1.539 -5.071 1.00 0.00 C ATOM 79 O PHE A 6 6.936 1.136 -3.925 1.00 0.00 O ATOM 80 CB PHE A 6 6.813 4.015 -4.606 1.00 0.00 C ATOM 81 CG PHE A 6 8.206 4.237 -5.163 1.00 0.00 C ATOM 82 CD1 PHE A 6 8.373 4.883 -6.402 1.00 0.00 C ATOM 83 CD2 PHE A 6 9.332 3.747 -4.474 1.00 0.00 C ATOM 84 CE1 PHE A 6 9.661 5.078 -6.928 1.00 0.00 C ATOM 85 CE2 PHE A 6 10.620 3.949 -4.997 1.00 0.00 C ATOM 86 CZ PHE A 6 10.786 4.623 -6.219 1.00 0.00 C ATOM 87 H PHE A 6 4.564 2.738 -3.820 1.00 0.00 H ATOM 88 HA PHE A 6 6.065 3.104 -6.375 1.00 0.00 H ATOM 89 1HB PHE A 6 6.251 4.942 -4.720 1.00 0.00 H ATOM 90 2HB PHE A 6 6.874 3.800 -3.538 1.00 0.00 H ATOM 91 HD1 PHE A 6 7.513 5.236 -6.952 1.00 0.00 H ATOM 92 HD2 PHE A 6 9.212 3.218 -3.539 1.00 0.00 H ATOM 93 HE1 PHE A 6 9.789 5.582 -7.875 1.00 0.00 H ATOM 94 HE2 PHE A 6 11.482 3.586 -4.457 1.00 0.00 H ATOM 95 HZ PHE A 6 11.777 4.787 -6.616 1.00 0.00 H ATOM 96 N GLY A 7 7.112 0.846 -6.153 1.00 0.00 N ATOM 97 CA GLY A 7 7.818 -0.421 -6.095 1.00 0.00 C ATOM 98 C GLY A 7 7.996 -0.969 -7.514 1.00 0.00 C ATOM 99 O GLY A 7 7.064 -0.861 -8.309 1.00 0.00 O ATOM 100 H GLY A 7 6.924 1.229 -7.071 1.00 0.00 H ATOM 101 1HA GLY A 7 8.766 -0.250 -5.592 1.00 0.00 H ATOM 102 2HA GLY A 7 7.237 -1.139 -5.516 1.00 0.00 H ATOM 103 N PRO A 8 9.151 -1.566 -7.858 1.00 0.00 N ATOM 104 CA PRO A 8 10.305 -1.797 -6.997 1.00 0.00 C ATOM 105 C PRO A 8 11.102 -0.508 -6.770 1.00 0.00 C ATOM 106 O PRO A 8 11.470 -0.210 -5.635 1.00 0.00 O ATOM 107 CB PRO A 8 11.137 -2.861 -7.719 1.00 0.00 C ATOM 108 CG PRO A 8 10.810 -2.645 -9.196 1.00 0.00 C ATOM 109 CD PRO A 8 9.358 -2.167 -9.166 1.00 0.00 C ATOM 110 HA PRO A 8 9.989 -2.202 -6.034 1.00 0.00 H ATOM 111 1HB PRO A 8 12.205 -2.775 -7.513 1.00 0.00 H ATOM 112 2HB PRO A 8 10.783 -3.850 -7.423 1.00 0.00 H ATOM 113 1HG PRO A 8 11.451 -1.865 -9.607 1.00 0.00 H ATOM 114 2HG PRO A 8 10.926 -3.560 -9.778 1.00 0.00 H ATOM 115 1HD PRO A 8 9.174 -1.451 -9.968 1.00 0.00 H ATOM 116 2HD PRO A 8 8.689 -3.022 -9.273 1.00 0.00 H ATOM 117 N LEU A 9 11.349 0.257 -7.840 1.00 0.00 N ATOM 118 CA LEU A 9 11.981 1.570 -7.781 1.00 0.00 C ATOM 119 C LEU A 9 11.297 2.523 -8.773 1.00 0.00 C ATOM 120 O LEU A 9 11.909 3.478 -9.248 1.00 0.00 O ATOM 121 CB LEU A 9 13.488 1.407 -8.054 1.00 0.00 C ATOM 122 CG LEU A 9 14.359 2.561 -7.525 1.00 0.00 C ATOM 123 CD1 LEU A 9 14.501 2.509 -5.998 1.00 0.00 C ATOM 124 CD2 LEU A 9 15.753 2.469 -8.155 1.00 0.00 C ATOM 125 H LEU A 9 11.021 -0.055 -8.742 1.00 0.00 H ATOM 126 HA LEU A 9 11.832 1.983 -6.786 1.00 0.00 H ATOM 127 1HB LEU A 9 13.840 0.487 -7.584 1.00 0.00 H ATOM 128 2HB LEU A 9 13.628 1.304 -9.131 1.00 0.00 H ATOM 129 HG LEU A 9 13.929 3.523 -7.802 1.00 0.00 H ATOM 130 1HD1 LEU A 9 14.934 1.555 -5.694 1.00 0.00 H ATOM 131 2HD1 LEU A 9 15.155 3.315 -5.665 1.00 0.00 H ATOM 132 3HD1 LEU A 9 13.534 2.631 -5.515 1.00 0.00 H ATOM 133 1HD2 LEU A 9 16.217 1.516 -7.901 1.00 0.00 H ATOM 134 2HD2 LEU A 9 15.676 2.551 -9.240 1.00 0.00 H ATOM 135 3HD2 LEU A 9 16.380 3.282 -7.787 1.00 0.00 H ATOM 136 N THR A 10 10.027 2.252 -9.098 1.00 0.00 N ATOM 137 CA THR A 10 9.201 3.040 -10.001 1.00 0.00 C ATOM 138 C THR A 10 7.786 3.099 -9.429 1.00 0.00 C ATOM 139 O THR A 10 7.412 2.249 -8.623 1.00 0.00 O ATOM 140 CB THR A 10 9.192 2.401 -11.399 1.00 0.00 C ATOM 141 OG1 THR A 10 8.779 1.052 -11.314 1.00 0.00 O ATOM 142 CG2 THR A 10 10.568 2.463 -12.069 1.00 0.00 C ATOM 143 H THR A 10 9.565 1.468 -8.659 1.00 0.00 H ATOM 144 HA THR A 10 9.582 4.060 -10.072 1.00 0.00 H ATOM 145 HB THR A 10 8.484 2.944 -12.028 1.00 0.00 H ATOM 146 HG1 THR A 10 8.718 0.692 -12.202 1.00 0.00 H ATOM 147 1HG2 THR A 10 11.287 1.848 -11.527 1.00 0.00 H ATOM 148 2HG2 THR A 10 10.491 2.092 -13.091 1.00 0.00 H ATOM 149 3HG2 THR A 10 10.922 3.494 -12.094 1.00 0.00 H ATOM 150 N TRP A 11 6.989 4.084 -9.859 1.00 0.00 N ATOM 151 CA TRP A 11 5.579 4.135 -9.508 1.00 0.00 C ATOM 152 C TRP A 11 4.815 3.123 -10.362 1.00 0.00 C ATOM 153 O TRP A 11 4.930 3.145 -11.587 1.00 0.00 O ATOM 154 CB TRP A 11 5.025 5.549 -9.686 1.00 0.00 C ATOM 155 CG TRP A 11 3.655 5.726 -9.108 1.00 0.00 C ATOM 156 CD1 TRP A 11 2.494 5.717 -9.798 1.00 0.00 C ATOM 157 CD2 TRP A 11 3.282 5.871 -7.706 1.00 0.00 C ATOM 158 NE1 TRP A 11 1.431 5.861 -8.930 1.00 0.00 N ATOM 159 CE2 TRP A 11 1.862 5.949 -7.621 1.00 0.00 C ATOM 160 CE3 TRP A 11 4.003 5.943 -6.495 1.00 0.00 C ATOM 161 CZ2 TRP A 11 1.193 6.091 -6.396 1.00 0.00 C ATOM 162 CZ3 TRP A 11 3.341 6.064 -5.259 1.00 0.00 C ATOM 163 CH2 TRP A 11 1.938 6.133 -5.207 1.00 0.00 C ATOM 164 H TRP A 11 7.339 4.757 -10.525 1.00 0.00 H ATOM 165 HA TRP A 11 5.474 3.881 -8.454 1.00 0.00 H ATOM 166 1HB TRP A 11 5.689 6.248 -9.176 1.00 0.00 H ATOM 167 2HB TRP A 11 5.012 5.807 -10.746 1.00 0.00 H ATOM 168 HD1 TRP A 11 2.408 5.603 -10.869 1.00 0.00 H ATOM 169 HE1 TRP A 11 0.457 5.891 -9.195 1.00 0.00 H ATOM 170 HE3 TRP A 11 5.081 5.901 -6.522 1.00 0.00 H ATOM 171 HZ2 TRP A 11 0.117 6.167 -6.364 1.00 0.00 H ATOM 172 HZ3 TRP A 11 3.913 6.105 -4.344 1.00 0.00 H ATOM 173 HH2 TRP A 11 1.434 6.225 -4.256 1.00 0.00 H ATOM 174 N VAL A 12 4.061 2.229 -9.713 1.00 0.00 N ATOM 175 CA VAL A 12 3.315 1.153 -10.353 1.00 0.00 C ATOM 176 C VAL A 12 1.921 1.092 -9.728 1.00 0.00 C ATOM 177 O VAL A 12 1.755 1.397 -8.549 1.00 0.00 O ATOM 178 CB VAL A 12 4.082 -0.176 -10.199 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.294 -1.364 -10.770 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.436 -0.111 -10.920 1.00 0.00 C ATOM 181 H VAL A 12 3.993 2.292 -8.705 1.00 0.00 H ATOM 182 HA VAL A 12 3.194 1.365 -11.417 1.00 0.00 H ATOM 183 HB VAL A 12 4.264 -0.362 -9.140 1.00 0.00 H ATOM 184 1HG1 VAL A 12 3.037 -1.175 -11.813 1.00 0.00 H ATOM 185 2HG1 VAL A 12 3.900 -2.269 -10.712 1.00 0.00 H ATOM 186 3HG1 VAL A 12 2.382 -1.534 -10.199 1.00 0.00 H ATOM 187 1HG2 VAL A 12 5.289 0.136 -11.971 1.00 0.00 H ATOM 188 2HG2 VAL A 12 6.078 0.640 -10.462 1.00 0.00 H ATOM 189 3HG2 VAL A 12 5.940 -1.075 -10.850 1.00 0.00 H ATOM 190 N CYS A 13 0.918 0.709 -10.526 1.00 0.00 N ATOM 191 CA CYS A 13 -0.451 0.508 -10.075 1.00 0.00 C ATOM 192 C CYS A 13 -1.040 -0.723 -10.767 1.00 0.00 C ATOM 193 O CYS A 13 -0.500 -1.173 -11.778 1.00 0.00 O ATOM 194 CB CYS A 13 -1.259 1.789 -10.315 1.00 0.00 C ATOM 195 SG CYS A 13 -2.778 1.887 -9.338 1.00 0.00 S ATOM 196 H CYS A 13 1.121 0.459 -11.484 1.00 0.00 H ATOM 197 HA CYS A 13 -0.439 0.295 -9.005 1.00 0.00 H ATOM 198 1HB CYS A 13 -0.639 2.637 -10.023 1.00 0.00 H ATOM 199 2HB CYS A 13 -1.498 1.891 -11.374 1.00 0.00 H ATOM 200 N LYS A 14 -2.122 -1.280 -10.206 1.00 0.00 N ATOM 201 CA LYS A 14 -2.679 -2.568 -10.607 1.00 0.00 C ATOM 202 C LYS A 14 -4.191 -2.491 -10.877 1.00 0.00 C ATOM 203 O LYS A 14 -4.979 -2.948 -10.053 1.00 0.00 O ATOM 204 CB LYS A 14 -2.297 -3.625 -9.551 1.00 0.00 C ATOM 205 CG LYS A 14 -2.698 -3.280 -8.103 1.00 0.00 C ATOM 206 CD LYS A 14 -2.133 -4.293 -7.098 1.00 0.00 C ATOM 207 CE LYS A 14 -0.667 -4.023 -6.735 1.00 0.00 C ATOM 208 NZ LYS A 14 -0.519 -2.801 -5.925 1.00 0.00 N ATOM 209 H LYS A 14 -2.515 -0.847 -9.384 1.00 0.00 H ATOM 210 HA LYS A 14 -2.217 -2.908 -11.534 1.00 0.00 H ATOM 211 1HB LYS A 14 -2.746 -4.581 -9.828 1.00 0.00 H ATOM 212 2HB LYS A 14 -1.214 -3.741 -9.591 1.00 0.00 H ATOM 213 1HG LYS A 14 -2.358 -2.283 -7.836 1.00 0.00 H ATOM 214 2HG LYS A 14 -3.781 -3.304 -8.006 1.00 0.00 H ATOM 215 1HD LYS A 14 -2.725 -4.249 -6.183 1.00 0.00 H ATOM 216 2HD LYS A 14 -2.226 -5.298 -7.513 1.00 0.00 H ATOM 217 1HE LYS A 14 -0.294 -4.862 -6.146 1.00 0.00 H ATOM 218 2HE LYS A 14 -0.059 -3.936 -7.635 1.00 0.00 H ATOM 219 1HZ LYS A 14 -1.051 -2.896 -5.072 1.00 0.00 H ATOM 220 2HZ LYS A 14 0.455 -2.662 -5.696 1.00 0.00 H ATOM 221 3HZ LYS A 14 -0.855 -1.997 -6.439 1.00 0.00 H ATOM 222 N PRO A 15 -4.617 -1.960 -12.040 1.00 0.00 N ATOM 223 CA PRO A 15 -6.001 -2.007 -12.507 1.00 0.00 C ATOM 224 C PRO A 15 -6.602 -3.410 -12.375 1.00 0.00 C ATOM 225 O PRO A 15 -6.062 -4.364 -12.933 1.00 0.00 O ATOM 226 CB PRO A 15 -5.956 -1.549 -13.969 1.00 0.00 C ATOM 227 CG PRO A 15 -4.751 -0.613 -13.990 1.00 0.00 C ATOM 228 CD PRO A 15 -3.781 -1.298 -13.029 1.00 0.00 C ATOM 229 HA PRO A 15 -6.592 -1.281 -11.948 1.00 0.00 H ATOM 230 1HB PRO A 15 -5.753 -2.393 -14.630 1.00 0.00 H ATOM 231 2HB PRO A 15 -6.875 -1.047 -14.273 1.00 0.00 H ATOM 232 1HG PRO A 15 -4.331 -0.496 -14.990 1.00 0.00 H ATOM 233 2HG PRO A 15 -5.041 0.358 -13.585 1.00 0.00 H ATOM 234 1HD PRO A 15 -3.193 -2.042 -13.567 1.00 0.00 H ATOM 235 2HD PRO A 15 -3.129 -0.548 -12.584 1.00 0.00 H ATOM 236 N GLN A 16 -7.696 -3.537 -11.614 1.00 0.00 N ATOM 237 CA GLN A 16 -8.328 -4.815 -11.312 1.00 0.00 C ATOM 238 C GLN A 16 -9.821 -4.624 -11.031 1.00 0.00 C ATOM 239 O GLN A 16 -10.299 -3.502 -10.877 1.00 0.00 O ATOM 240 CB GLN A 16 -7.602 -5.493 -10.137 1.00 0.00 C ATOM 241 CG GLN A 16 -7.693 -4.682 -8.835 1.00 0.00 C ATOM 242 CD GLN A 16 -6.869 -5.307 -7.713 1.00 0.00 C ATOM 243 OE1 GLN A 16 -5.924 -4.698 -7.217 1.00 0.00 O ATOM 244 NE2 GLN A 16 -7.231 -6.523 -7.298 1.00 0.00 N ATOM 245 H GLN A 16 -8.089 -2.717 -11.168 1.00 0.00 H ATOM 246 HA GLN A 16 -8.244 -5.466 -12.184 1.00 0.00 H ATOM 247 1HB GLN A 16 -8.034 -6.481 -9.976 1.00 0.00 H ATOM 248 2HB GLN A 16 -6.551 -5.620 -10.398 1.00 0.00 H ATOM 249 1HG GLN A 16 -7.311 -3.679 -9.010 1.00 0.00 H ATOM 250 2HG GLN A 16 -8.731 -4.608 -8.510 1.00 0.00 H ATOM 251 1HE2 GLN A 16 -8.015 -6.992 -7.726 1.00 0.00 H ATOM 252 2HE2 GLN A 16 -6.713 -6.969 -6.555 1.00 0.00 H HETATM 253 N NH2 A 17 -10.567 -5.728 -10.966 1.00 0.00 N HETATM 254 1HN NH2 A 17 -11.557 -5.651 -10.786 1.00 0.00 H HETATM 255 2HN NH2 A 17 -10.143 -6.634 -11.101 1.00 0.00 H TER 256 NH2 A 17 ENDMDL MODEL 14 ATOM 1 N THR A 1 -7.824 -3.576 -4.842 1.00 0.00 N ATOM 2 CA THR A 1 -8.535 -3.321 -6.108 1.00 0.00 C ATOM 3 C THR A 1 -7.648 -2.553 -7.090 1.00 0.00 C ATOM 4 O THR A 1 -7.114 -3.137 -8.030 1.00 0.00 O ATOM 5 CB THR A 1 -9.877 -2.608 -5.868 1.00 0.00 C ATOM 6 OG1 THR A 1 -9.698 -1.448 -5.078 1.00 0.00 O ATOM 7 CG2 THR A 1 -10.889 -3.530 -5.181 1.00 0.00 C ATOM 8 1H THR A 1 -6.962 -4.066 -5.034 1.00 0.00 H ATOM 9 2H THR A 1 -7.617 -2.695 -4.393 1.00 0.00 H ATOM 10 3H THR A 1 -8.402 -4.138 -4.234 1.00 0.00 H ATOM 11 HA THR A 1 -8.749 -4.291 -6.558 1.00 0.00 H ATOM 12 HB THR A 1 -10.293 -2.309 -6.830 1.00 0.00 H ATOM 13 HG1 THR A 1 -9.454 -1.716 -4.189 1.00 0.00 H ATOM 14 1HG2 THR A 1 -10.536 -3.817 -4.190 1.00 0.00 H ATOM 15 2HG2 THR A 1 -11.841 -3.008 -5.079 1.00 0.00 H ATOM 16 3HG2 THR A 1 -11.043 -4.427 -5.780 1.00 0.00 H ATOM 17 N TYR A 2 -7.490 -1.247 -6.851 1.00 0.00 N ATOM 18 CA TYR A 2 -6.657 -0.345 -7.630 1.00 0.00 C ATOM 19 C TYR A 2 -5.499 0.102 -6.744 1.00 0.00 C ATOM 20 O TYR A 2 -5.574 1.142 -6.092 1.00 0.00 O ATOM 21 CB TYR A 2 -7.507 0.828 -8.136 1.00 0.00 C ATOM 22 CG TYR A 2 -8.659 0.392 -9.022 1.00 0.00 C ATOM 23 CD1 TYR A 2 -8.444 0.151 -10.391 1.00 0.00 C ATOM 24 CD2 TYR A 2 -9.923 0.137 -8.459 1.00 0.00 C ATOM 25 CE1 TYR A 2 -9.475 -0.383 -11.184 1.00 0.00 C ATOM 26 CE2 TYR A 2 -10.964 -0.362 -9.260 1.00 0.00 C ATOM 27 CZ TYR A 2 -10.734 -0.646 -10.617 1.00 0.00 C ATOM 28 OH TYR A 2 -11.733 -1.176 -11.380 1.00 0.00 O ATOM 29 H TYR A 2 -7.990 -0.851 -6.065 1.00 0.00 H ATOM 30 HA TYR A 2 -6.244 -0.853 -8.501 1.00 0.00 H ATOM 31 1HB TYR A 2 -7.908 1.378 -7.284 1.00 0.00 H ATOM 32 2HB TYR A 2 -6.865 1.506 -8.701 1.00 0.00 H ATOM 33 HD1 TYR A 2 -7.486 0.372 -10.835 1.00 0.00 H ATOM 34 HD2 TYR A 2 -10.095 0.307 -7.406 1.00 0.00 H ATOM 35 HE1 TYR A 2 -9.299 -0.582 -12.231 1.00 0.00 H ATOM 36 HE2 TYR A 2 -11.937 -0.540 -8.827 1.00 0.00 H ATOM 37 HH TYR A 2 -11.475 -1.332 -12.291 1.00 0.00 H ATOM 38 N SER A 3 -4.433 -0.706 -6.709 1.00 0.00 N ATOM 39 CA SER A 3 -3.339 -0.541 -5.765 1.00 0.00 C ATOM 40 C SER A 3 -2.186 0.184 -6.455 1.00 0.00 C ATOM 41 O SER A 3 -1.354 -0.449 -7.100 1.00 0.00 O ATOM 42 CB SER A 3 -2.916 -1.915 -5.229 1.00 0.00 C ATOM 43 OG SER A 3 -1.824 -1.787 -4.343 1.00 0.00 O ATOM 44 H SER A 3 -4.427 -1.527 -7.301 1.00 0.00 H ATOM 45 HA SER A 3 -3.664 0.044 -4.902 1.00 0.00 H ATOM 46 1HB SER A 3 -3.752 -2.365 -4.693 1.00 0.00 H ATOM 47 2HB SER A 3 -2.632 -2.572 -6.050 1.00 0.00 H ATOM 48 HG SER A 3 -1.060 -1.478 -4.839 1.00 0.00 H ATOM 49 N CYS A 4 -2.145 1.510 -6.282 1.00 0.00 N ATOM 50 CA CYS A 4 -1.108 2.397 -6.789 1.00 0.00 C ATOM 51 C CYS A 4 -0.127 2.698 -5.659 1.00 0.00 C ATOM 52 O CYS A 4 -0.514 3.255 -4.633 1.00 0.00 O ATOM 53 CB CYS A 4 -1.752 3.671 -7.338 1.00 0.00 C ATOM 54 SG CYS A 4 -2.570 3.512 -8.949 1.00 0.00 S ATOM 55 H CYS A 4 -2.876 1.936 -5.731 1.00 0.00 H ATOM 56 HA CYS A 4 -0.558 1.934 -7.599 1.00 0.00 H ATOM 57 1HB CYS A 4 -2.482 4.040 -6.616 1.00 0.00 H ATOM 58 2HB CYS A 4 -0.987 4.434 -7.451 1.00 0.00 H ATOM 59 N HIS A 5 1.130 2.279 -5.845 1.00 0.00 N ATOM 60 CA HIS A 5 2.171 2.279 -4.829 1.00 0.00 C ATOM 61 C HIS A 5 3.514 2.692 -5.434 1.00 0.00 C ATOM 62 O HIS A 5 3.697 2.635 -6.650 1.00 0.00 O ATOM 63 CB HIS A 5 2.276 0.863 -4.244 1.00 0.00 C ATOM 64 CG HIS A 5 2.707 -0.156 -5.272 1.00 0.00 C ATOM 65 ND1 HIS A 5 1.805 -0.695 -6.191 1.00 0.00 N ATOM 66 CD2 HIS A 5 3.960 -0.636 -5.549 1.00 0.00 C ATOM 67 CE1 HIS A 5 2.552 -1.452 -6.998 1.00 0.00 C ATOM 68 NE2 HIS A 5 3.851 -1.449 -6.657 1.00 0.00 N ATOM 69 H HIS A 5 1.370 1.848 -6.729 1.00 0.00 H ATOM 70 HA HIS A 5 1.919 2.978 -4.029 1.00 0.00 H ATOM 71 1HB HIS A 5 3.000 0.865 -3.429 1.00 0.00 H ATOM 72 2HB HIS A 5 1.308 0.569 -3.838 1.00 0.00 H ATOM 73 HD2 HIS A 5 4.871 -0.383 -5.029 1.00 0.00 H ATOM 74 HE1 HIS A 5 2.156 -2.002 -7.838 1.00 0.00 H ATOM 75 HE2 HIS A 5 4.610 -1.925 -7.125 1.00 0.00 H ATOM 76 N PHE A 6 4.469 3.057 -4.569 1.00 0.00 N ATOM 77 CA PHE A 6 5.854 3.258 -4.963 1.00 0.00 C ATOM 78 C PHE A 6 6.589 1.926 -4.837 1.00 0.00 C ATOM 79 O PHE A 6 6.715 1.400 -3.732 1.00 0.00 O ATOM 80 CB PHE A 6 6.532 4.325 -4.099 1.00 0.00 C ATOM 81 CG PHE A 6 7.973 4.561 -4.512 1.00 0.00 C ATOM 82 CD1 PHE A 6 8.252 5.158 -5.757 1.00 0.00 C ATOM 83 CD2 PHE A 6 9.024 4.016 -3.750 1.00 0.00 C ATOM 84 CE1 PHE A 6 9.576 5.231 -6.225 1.00 0.00 C ATOM 85 CE2 PHE A 6 10.347 4.093 -4.216 1.00 0.00 C ATOM 86 CZ PHE A 6 10.624 4.704 -5.451 1.00 0.00 C ATOM 87 H PHE A 6 4.254 3.075 -3.583 1.00 0.00 H ATOM 88 HA PHE A 6 5.895 3.606 -5.992 1.00 0.00 H ATOM 89 1HB PHE A 6 5.989 5.265 -4.189 1.00 0.00 H ATOM 90 2HB PHE A 6 6.494 4.020 -3.052 1.00 0.00 H ATOM 91 HD1 PHE A 6 7.451 5.547 -6.368 1.00 0.00 H ATOM 92 HD2 PHE A 6 8.818 3.515 -2.815 1.00 0.00 H ATOM 93 HE1 PHE A 6 9.787 5.684 -7.182 1.00 0.00 H ATOM 94 HE2 PHE A 6 11.152 3.674 -3.630 1.00 0.00 H ATOM 95 HZ PHE A 6 11.641 4.759 -5.811 1.00 0.00 H ATOM 96 N GLY A 7 7.078 1.388 -5.959 1.00 0.00 N ATOM 97 CA GLY A 7 7.872 0.171 -5.985 1.00 0.00 C ATOM 98 C GLY A 7 7.643 -0.592 -7.291 1.00 0.00 C ATOM 99 O GLY A 7 6.595 -0.426 -7.913 1.00 0.00 O ATOM 100 H GLY A 7 6.943 1.863 -6.842 1.00 0.00 H ATOM 101 1HA GLY A 7 8.911 0.474 -5.881 1.00 0.00 H ATOM 102 2HA GLY A 7 7.607 -0.486 -5.156 1.00 0.00 H ATOM 103 N PRO A 8 8.590 -1.447 -7.712 1.00 0.00 N ATOM 104 CA PRO A 8 9.814 -1.791 -7.001 1.00 0.00 C ATOM 105 C PRO A 8 10.879 -0.698 -7.141 1.00 0.00 C ATOM 106 O PRO A 8 11.505 -0.330 -6.149 1.00 0.00 O ATOM 107 CB PRO A 8 10.275 -3.115 -7.618 1.00 0.00 C ATOM 108 CG PRO A 8 9.738 -3.059 -9.048 1.00 0.00 C ATOM 109 CD PRO A 8 8.439 -2.264 -8.905 1.00 0.00 C ATOM 110 HA PRO A 8 9.608 -1.956 -5.942 1.00 0.00 H ATOM 111 1HB PRO A 8 11.357 -3.244 -7.585 1.00 0.00 H ATOM 112 2HB PRO A 8 9.788 -3.938 -7.093 1.00 0.00 H ATOM 113 1HG PRO A 8 10.438 -2.517 -9.684 1.00 0.00 H ATOM 114 2HG PRO A 8 9.565 -4.055 -9.458 1.00 0.00 H ATOM 115 1HD PRO A 8 8.268 -1.649 -9.789 1.00 0.00 H ATOM 116 2HD PRO A 8 7.602 -2.951 -8.763 1.00 0.00 H ATOM 117 N LEU A 9 11.071 -0.178 -8.360 1.00 0.00 N ATOM 118 CA LEU A 9 12.016 0.888 -8.665 1.00 0.00 C ATOM 119 C LEU A 9 11.255 2.206 -8.807 1.00 0.00 C ATOM 120 O LEU A 9 11.539 3.166 -8.094 1.00 0.00 O ATOM 121 CB LEU A 9 12.786 0.526 -9.945 1.00 0.00 C ATOM 122 CG LEU A 9 13.782 1.605 -10.404 1.00 0.00 C ATOM 123 CD1 LEU A 9 14.879 1.859 -9.362 1.00 0.00 C ATOM 124 CD2 LEU A 9 14.428 1.161 -11.721 1.00 0.00 C ATOM 125 H LEU A 9 10.503 -0.520 -9.121 1.00 0.00 H ATOM 126 HA LEU A 9 12.733 0.984 -7.850 1.00 0.00 H ATOM 127 1HB LEU A 9 13.329 -0.404 -9.769 1.00 0.00 H ATOM 128 2HB LEU A 9 12.070 0.351 -10.749 1.00 0.00 H ATOM 129 HG LEU A 9 13.256 2.541 -10.590 1.00 0.00 H ATOM 130 1HD1 LEU A 9 15.373 0.922 -9.102 1.00 0.00 H ATOM 131 2HD1 LEU A 9 15.618 2.549 -9.770 1.00 0.00 H ATOM 132 3HD1 LEU A 9 14.456 2.307 -8.464 1.00 0.00 H ATOM 133 1HD2 LEU A 9 13.658 1.005 -12.477 1.00 0.00 H ATOM 134 2HD2 LEU A 9 15.115 1.931 -12.074 1.00 0.00 H ATOM 135 3HD2 LEU A 9 14.979 0.231 -11.574 1.00 0.00 H ATOM 136 N THR A 10 10.294 2.241 -9.737 1.00 0.00 N ATOM 137 CA THR A 10 9.457 3.397 -10.027 1.00 0.00 C ATOM 138 C THR A 10 8.099 3.230 -9.343 1.00 0.00 C ATOM 139 O THR A 10 7.864 2.246 -8.642 1.00 0.00 O ATOM 140 CB THR A 10 9.296 3.520 -11.553 1.00 0.00 C ATOM 141 OG1 THR A 10 8.658 2.369 -12.071 1.00 0.00 O ATOM 142 CG2 THR A 10 10.649 3.698 -12.250 1.00 0.00 C ATOM 143 H THR A 10 10.117 1.411 -10.283 1.00 0.00 H ATOM 144 HA THR A 10 9.923 4.311 -9.655 1.00 0.00 H ATOM 145 HB THR A 10 8.686 4.393 -11.788 1.00 0.00 H ATOM 146 HG1 THR A 10 7.745 2.356 -11.767 1.00 0.00 H ATOM 147 1HG2 THR A 10 11.262 2.805 -12.136 1.00 0.00 H ATOM 148 2HG2 THR A 10 10.485 3.876 -13.313 1.00 0.00 H ATOM 149 3HG2 THR A 10 11.174 4.554 -11.825 1.00 0.00 H ATOM 150 N TRP A 11 7.186 4.179 -9.577 1.00 0.00 N ATOM 151 CA TRP A 11 5.797 4.037 -9.177 1.00 0.00 C ATOM 152 C TRP A 11 5.103 3.060 -10.126 1.00 0.00 C ATOM 153 O TRP A 11 5.355 3.092 -11.330 1.00 0.00 O ATOM 154 CB TRP A 11 5.107 5.402 -9.182 1.00 0.00 C ATOM 155 CG TRP A 11 3.733 5.401 -8.586 1.00 0.00 C ATOM 156 CD1 TRP A 11 2.598 5.037 -9.222 1.00 0.00 C ATOM 157 CD2 TRP A 11 3.334 5.739 -7.225 1.00 0.00 C ATOM 158 NE1 TRP A 11 1.527 5.125 -8.359 1.00 0.00 N ATOM 159 CE2 TRP A 11 1.926 5.552 -7.108 1.00 0.00 C ATOM 160 CE3 TRP A 11 4.019 6.190 -6.077 1.00 0.00 C ATOM 161 CZ2 TRP A 11 1.236 5.800 -5.911 1.00 0.00 C ATOM 162 CZ3 TRP A 11 3.340 6.419 -4.866 1.00 0.00 C ATOM 163 CH2 TRP A 11 1.952 6.220 -4.780 1.00 0.00 C ATOM 164 H TRP A 11 7.431 4.973 -10.150 1.00 0.00 H ATOM 165 HA TRP A 11 5.762 3.642 -8.165 1.00 0.00 H ATOM 166 1HB TRP A 11 5.717 6.100 -8.607 1.00 0.00 H ATOM 167 2HB TRP A 11 5.049 5.773 -10.206 1.00 0.00 H ATOM 168 HD1 TRP A 11 2.536 4.714 -10.251 1.00 0.00 H ATOM 169 HE1 TRP A 11 0.571 4.910 -8.597 1.00 0.00 H ATOM 170 HE3 TRP A 11 5.083 6.364 -6.132 1.00 0.00 H ATOM 171 HZ2 TRP A 11 0.166 5.675 -5.853 1.00 0.00 H ATOM 172 HZ3 TRP A 11 3.887 6.758 -3.998 1.00 0.00 H ATOM 173 HH2 TRP A 11 1.435 6.401 -3.849 1.00 0.00 H ATOM 174 N VAL A 12 4.249 2.187 -9.579 1.00 0.00 N ATOM 175 CA VAL A 12 3.493 1.195 -10.334 1.00 0.00 C ATOM 176 C VAL A 12 2.081 1.110 -9.749 1.00 0.00 C ATOM 177 O VAL A 12 1.882 1.384 -8.567 1.00 0.00 O ATOM 178 CB VAL A 12 4.224 -0.164 -10.296 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.438 -1.263 -11.023 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.614 -0.073 -10.944 1.00 0.00 C ATOM 181 H VAL A 12 4.075 2.232 -8.581 1.00 0.00 H ATOM 182 HA VAL A 12 3.403 1.515 -11.373 1.00 0.00 H ATOM 183 HB VAL A 12 4.346 -0.470 -9.258 1.00 0.00 H ATOM 184 1HG1 VAL A 12 3.188 -0.941 -12.034 1.00 0.00 H ATOM 185 2HG1 VAL A 12 4.042 -2.169 -11.081 1.00 0.00 H ATOM 186 3HG1 VAL A 12 2.525 -1.502 -10.480 1.00 0.00 H ATOM 187 1HG2 VAL A 12 5.525 0.280 -11.972 1.00 0.00 H ATOM 188 2HG2 VAL A 12 6.260 0.603 -10.387 1.00 0.00 H ATOM 189 3HG2 VAL A 12 6.084 -1.057 -10.948 1.00 0.00 H ATOM 190 N CYS A 13 1.106 0.728 -10.585 1.00 0.00 N ATOM 191 CA CYS A 13 -0.263 0.447 -10.177 1.00 0.00 C ATOM 192 C CYS A 13 -0.651 -0.974 -10.576 1.00 0.00 C ATOM 193 O CYS A 13 -0.149 -1.503 -11.567 1.00 0.00 O ATOM 194 CB CYS A 13 -1.231 1.456 -10.805 1.00 0.00 C ATOM 195 SG CYS A 13 -1.064 3.192 -10.300 1.00 0.00 S ATOM 196 H CYS A 13 1.346 0.517 -11.543 1.00 0.00 H ATOM 197 HA CYS A 13 -0.344 0.500 -9.100 1.00 0.00 H ATOM 198 1HB CYS A 13 -1.097 1.418 -11.887 1.00 0.00 H ATOM 199 2HB CYS A 13 -2.254 1.147 -10.588 1.00 0.00 H ATOM 200 N LYS A 14 -1.571 -1.567 -9.804 1.00 0.00 N ATOM 201 CA LYS A 14 -2.194 -2.853 -10.080 1.00 0.00 C ATOM 202 C LYS A 14 -3.717 -2.673 -10.067 1.00 0.00 C ATOM 203 O LYS A 14 -4.338 -2.828 -9.014 1.00 0.00 O ATOM 204 CB LYS A 14 -1.751 -3.882 -9.028 1.00 0.00 C ATOM 205 CG LYS A 14 -0.248 -4.195 -9.048 1.00 0.00 C ATOM 206 CD LYS A 14 0.181 -4.918 -10.332 1.00 0.00 C ATOM 207 CE LYS A 14 1.593 -5.500 -10.205 1.00 0.00 C ATOM 208 NZ LYS A 14 2.603 -4.452 -9.985 1.00 0.00 N ATOM 209 H LYS A 14 -1.885 -1.075 -8.978 1.00 0.00 H ATOM 210 HA LYS A 14 -1.901 -3.234 -11.058 1.00 0.00 H ATOM 211 1HB LYS A 14 -1.997 -3.502 -8.037 1.00 0.00 H ATOM 212 2HB LYS A 14 -2.303 -4.811 -9.183 1.00 0.00 H ATOM 213 1HG LYS A 14 0.322 -3.275 -8.925 1.00 0.00 H ATOM 214 2HG LYS A 14 -0.039 -4.846 -8.198 1.00 0.00 H ATOM 215 1HD LYS A 14 -0.508 -5.741 -10.529 1.00 0.00 H ATOM 216 2HD LYS A 14 0.157 -4.229 -11.177 1.00 0.00 H ATOM 217 1HE LYS A 14 1.626 -6.207 -9.375 1.00 0.00 H ATOM 218 2HE LYS A 14 1.840 -6.031 -11.125 1.00 0.00 H ATOM 219 1HZ LYS A 14 2.577 -3.798 -10.754 1.00 0.00 H ATOM 220 2HZ LYS A 14 2.406 -3.966 -9.122 1.00 0.00 H ATOM 221 3HZ LYS A 14 3.520 -4.872 -9.931 1.00 0.00 H ATOM 222 N PRO A 15 -4.334 -2.351 -11.219 1.00 0.00 N ATOM 223 CA PRO A 15 -5.781 -2.294 -11.382 1.00 0.00 C ATOM 224 C PRO A 15 -6.448 -3.660 -11.197 1.00 0.00 C ATOM 225 O PRO A 15 -5.770 -4.681 -11.081 1.00 0.00 O ATOM 226 CB PRO A 15 -6.020 -1.782 -12.809 1.00 0.00 C ATOM 227 CG PRO A 15 -4.721 -1.065 -13.163 1.00 0.00 C ATOM 228 CD PRO A 15 -3.678 -1.910 -12.439 1.00 0.00 C ATOM 229 HA PRO A 15 -6.186 -1.583 -10.665 1.00 0.00 H ATOM 230 1HB PRO A 15 -6.144 -2.623 -13.493 1.00 0.00 H ATOM 231 2HB PRO A 15 -6.884 -1.120 -12.875 1.00 0.00 H ATOM 232 1HG PRO A 15 -4.548 -1.021 -14.239 1.00 0.00 H ATOM 233 2HG PRO A 15 -4.735 -0.059 -12.739 1.00 0.00 H ATOM 234 1HD PRO A 15 -3.415 -2.779 -13.043 1.00 0.00 H ATOM 235 2HD PRO A 15 -2.796 -1.301 -12.251 1.00 0.00 H ATOM 236 N GLN A 16 -7.786 -3.680 -11.242 1.00 0.00 N ATOM 237 CA GLN A 16 -8.561 -4.913 -11.289 1.00 0.00 C ATOM 238 C GLN A 16 -8.522 -5.486 -12.710 1.00 0.00 C ATOM 239 O GLN A 16 -9.516 -5.455 -13.433 1.00 0.00 O ATOM 240 CB GLN A 16 -10.002 -4.659 -10.823 1.00 0.00 C ATOM 241 CG GLN A 16 -10.048 -4.228 -9.354 1.00 0.00 C ATOM 242 CD GLN A 16 -11.474 -4.253 -8.810 1.00 0.00 C ATOM 243 OE1 GLN A 16 -12.091 -3.210 -8.616 1.00 0.00 O ATOM 244 NE2 GLN A 16 -12.002 -5.451 -8.550 1.00 0.00 N ATOM 245 H GLN A 16 -8.285 -2.808 -11.337 1.00 0.00 H ATOM 246 HA GLN A 16 -8.121 -5.650 -10.615 1.00 0.00 H ATOM 247 1HB GLN A 16 -10.471 -3.891 -11.440 1.00 0.00 H ATOM 248 2HB GLN A 16 -10.563 -5.588 -10.932 1.00 0.00 H ATOM 249 1HG GLN A 16 -9.439 -4.909 -8.760 1.00 0.00 H ATOM 250 2HG GLN A 16 -9.643 -3.220 -9.259 1.00 0.00 H ATOM 251 1HE2 GLN A 16 -11.466 -6.289 -8.722 1.00 0.00 H ATOM 252 2HE2 GLN A 16 -12.942 -5.512 -8.188 1.00 0.00 H HETATM 253 N NH2 A 17 -7.365 -6.012 -13.116 1.00 0.00 N HETATM 254 1HN NH2 A 17 -7.285 -6.405 -14.042 1.00 0.00 H HETATM 255 2HN NH2 A 17 -6.566 -5.988 -12.496 1.00 0.00 H TER 256 NH2 A 17 ENDMDL MODEL 15 ATOM 1 N THR A 1 -9.259 1.006 -5.921 1.00 0.00 N ATOM 2 CA THR A 1 -9.512 -0.090 -6.874 1.00 0.00 C ATOM 3 C THR A 1 -8.222 -0.832 -7.225 1.00 0.00 C ATOM 4 O THR A 1 -8.170 -2.057 -7.136 1.00 0.00 O ATOM 5 CB THR A 1 -10.221 0.432 -8.134 1.00 0.00 C ATOM 6 OG1 THR A 1 -11.331 1.219 -7.753 1.00 0.00 O ATOM 7 CG2 THR A 1 -10.718 -0.717 -9.019 1.00 0.00 C ATOM 8 1H THR A 1 -8.844 0.635 -5.078 1.00 0.00 H ATOM 9 2H THR A 1 -8.634 1.682 -6.336 1.00 0.00 H ATOM 10 3H THR A 1 -10.137 1.455 -5.699 1.00 0.00 H ATOM 11 HA THR A 1 -10.183 -0.791 -6.376 1.00 0.00 H ATOM 12 HB THR A 1 -9.536 1.057 -8.709 1.00 0.00 H ATOM 13 HG1 THR A 1 -11.754 1.560 -8.545 1.00 0.00 H ATOM 14 1HG2 THR A 1 -11.217 -0.309 -9.898 1.00 0.00 H ATOM 15 2HG2 THR A 1 -9.885 -1.337 -9.347 1.00 0.00 H ATOM 16 3HG2 THR A 1 -11.424 -1.335 -8.464 1.00 0.00 H ATOM 17 N TYR A 2 -7.187 -0.085 -7.627 1.00 0.00 N ATOM 18 CA TYR A 2 -5.888 -0.624 -8.005 1.00 0.00 C ATOM 19 C TYR A 2 -4.913 -0.509 -6.832 1.00 0.00 C ATOM 20 O TYR A 2 -5.175 0.207 -5.866 1.00 0.00 O ATOM 21 CB TYR A 2 -5.345 0.144 -9.221 1.00 0.00 C ATOM 22 CG TYR A 2 -6.268 0.287 -10.423 1.00 0.00 C ATOM 23 CD1 TYR A 2 -7.297 -0.641 -10.683 1.00 0.00 C ATOM 24 CD2 TYR A 2 -6.063 1.358 -11.313 1.00 0.00 C ATOM 25 CE1 TYR A 2 -8.128 -0.481 -11.805 1.00 0.00 C ATOM 26 CE2 TYR A 2 -6.891 1.516 -12.437 1.00 0.00 C ATOM 27 CZ TYR A 2 -7.926 0.598 -12.683 1.00 0.00 C ATOM 28 OH TYR A 2 -8.730 0.755 -13.773 1.00 0.00 O ATOM 29 H TYR A 2 -7.297 0.918 -7.663 1.00 0.00 H ATOM 30 HA TYR A 2 -5.975 -1.678 -8.269 1.00 0.00 H ATOM 31 1HB TYR A 2 -5.087 1.148 -8.882 1.00 0.00 H ATOM 32 2HB TYR A 2 -4.427 -0.338 -9.559 1.00 0.00 H ATOM 33 HD1 TYR A 2 -7.460 -1.489 -10.037 1.00 0.00 H ATOM 34 HD2 TYR A 2 -5.266 2.066 -11.136 1.00 0.00 H ATOM 35 HE1 TYR A 2 -8.917 -1.195 -11.993 1.00 0.00 H ATOM 36 HE2 TYR A 2 -6.731 2.343 -13.113 1.00 0.00 H ATOM 37 HH TYR A 2 -9.402 0.074 -13.852 1.00 0.00 H ATOM 38 N SER A 3 -3.765 -1.183 -6.950 1.00 0.00 N ATOM 39 CA SER A 3 -2.660 -1.083 -6.011 1.00 0.00 C ATOM 40 C SER A 3 -1.629 -0.128 -6.608 1.00 0.00 C ATOM 41 O SER A 3 -0.706 -0.556 -7.297 1.00 0.00 O ATOM 42 CB SER A 3 -2.063 -2.472 -5.755 1.00 0.00 C ATOM 43 OG SER A 3 -3.025 -3.315 -5.162 1.00 0.00 O ATOM 44 H SER A 3 -3.624 -1.763 -7.766 1.00 0.00 H ATOM 45 HA SER A 3 -2.996 -0.691 -5.050 1.00 0.00 H ATOM 46 1HB SER A 3 -1.735 -2.922 -6.690 1.00 0.00 H ATOM 47 2HB SER A 3 -1.206 -2.383 -5.085 1.00 0.00 H ATOM 48 HG SER A 3 -3.322 -2.919 -4.339 1.00 0.00 H ATOM 49 N CYS A 4 -1.809 1.169 -6.330 1.00 0.00 N ATOM 50 CA CYS A 4 -0.952 2.253 -6.784 1.00 0.00 C ATOM 51 C CYS A 4 -0.004 2.610 -5.645 1.00 0.00 C ATOM 52 O CYS A 4 -0.418 3.207 -4.652 1.00 0.00 O ATOM 53 CB CYS A 4 -1.814 3.446 -7.206 1.00 0.00 C ATOM 54 SG CYS A 4 -2.725 3.269 -8.768 1.00 0.00 S ATOM 55 H CYS A 4 -2.599 1.423 -5.754 1.00 0.00 H ATOM 56 HA CYS A 4 -0.357 1.964 -7.642 1.00 0.00 H ATOM 57 1HB CYS A 4 -2.540 3.646 -6.416 1.00 0.00 H ATOM 58 2HB CYS A 4 -1.185 4.328 -7.302 1.00 0.00 H ATOM 59 N HIS A 5 1.260 2.197 -5.788 1.00 0.00 N ATOM 60 CA HIS A 5 2.292 2.298 -4.767 1.00 0.00 C ATOM 61 C HIS A 5 3.624 2.687 -5.405 1.00 0.00 C ATOM 62 O HIS A 5 3.811 2.514 -6.610 1.00 0.00 O ATOM 63 CB HIS A 5 2.423 0.941 -4.061 1.00 0.00 C ATOM 64 CG HIS A 5 2.868 -0.157 -4.996 1.00 0.00 C ATOM 65 ND1 HIS A 5 1.965 -0.815 -5.831 1.00 0.00 N ATOM 66 CD2 HIS A 5 4.130 -0.621 -5.259 1.00 0.00 C ATOM 67 CE1 HIS A 5 2.718 -1.620 -6.585 1.00 0.00 C ATOM 68 NE2 HIS A 5 4.024 -1.538 -6.283 1.00 0.00 N ATOM 69 H HIS A 5 1.515 1.711 -6.640 1.00 0.00 H ATOM 70 HA HIS A 5 2.023 3.058 -4.032 1.00 0.00 H ATOM 71 1HB HIS A 5 3.149 1.027 -3.252 1.00 0.00 H ATOM 72 2HB HIS A 5 1.460 0.668 -3.626 1.00 0.00 H ATOM 73 HD2 HIS A 5 5.043 -0.289 -4.790 1.00 0.00 H ATOM 74 HE1 HIS A 5 2.319 -2.262 -7.356 1.00 0.00 H ATOM 75 HE2 HIS A 5 4.787 -2.031 -6.725 1.00 0.00 H ATOM 76 N PHE A 6 4.563 3.166 -4.579 1.00 0.00 N ATOM 77 CA PHE A 6 5.943 3.372 -4.988 1.00 0.00 C ATOM 78 C PHE A 6 6.704 2.060 -4.813 1.00 0.00 C ATOM 79 O PHE A 6 6.926 1.627 -3.684 1.00 0.00 O ATOM 80 CB PHE A 6 6.601 4.490 -4.173 1.00 0.00 C ATOM 81 CG PHE A 6 8.025 4.761 -4.620 1.00 0.00 C ATOM 82 CD1 PHE A 6 8.262 5.344 -5.879 1.00 0.00 C ATOM 83 CD2 PHE A 6 9.108 4.274 -3.863 1.00 0.00 C ATOM 84 CE1 PHE A 6 9.575 5.460 -6.368 1.00 0.00 C ATOM 85 CE2 PHE A 6 10.421 4.396 -4.350 1.00 0.00 C ATOM 86 CZ PHE A 6 10.654 4.992 -5.601 1.00 0.00 C ATOM 87 H PHE A 6 4.341 3.278 -3.601 1.00 0.00 H ATOM 88 HA PHE A 6 5.971 3.680 -6.030 1.00 0.00 H ATOM 89 1HB PHE A 6 6.026 5.408 -4.286 1.00 0.00 H ATOM 90 2HB PHE A 6 6.590 4.222 -3.115 1.00 0.00 H ATOM 91 HD1 PHE A 6 7.437 5.688 -6.485 1.00 0.00 H ATOM 92 HD2 PHE A 6 8.936 3.786 -2.914 1.00 0.00 H ATOM 93 HE1 PHE A 6 9.754 5.902 -7.338 1.00 0.00 H ATOM 94 HE2 PHE A 6 11.250 4.021 -3.768 1.00 0.00 H ATOM 95 HZ PHE A 6 11.663 5.079 -5.978 1.00 0.00 H ATOM 96 N GLY A 7 7.103 1.432 -5.923 1.00 0.00 N ATOM 97 CA GLY A 7 7.897 0.215 -5.907 1.00 0.00 C ATOM 98 C GLY A 7 7.656 -0.597 -7.181 1.00 0.00 C ATOM 99 O GLY A 7 6.590 -0.474 -7.783 1.00 0.00 O ATOM 100 H GLY A 7 6.893 1.830 -6.830 1.00 0.00 H ATOM 101 1HA GLY A 7 8.937 0.521 -5.822 1.00 0.00 H ATOM 102 2HA GLY A 7 7.636 -0.407 -5.051 1.00 0.00 H ATOM 103 N PRO A 8 8.612 -1.445 -7.597 1.00 0.00 N ATOM 104 CA PRO A 8 9.849 -1.757 -6.894 1.00 0.00 C ATOM 105 C PRO A 8 10.900 -0.654 -7.063 1.00 0.00 C ATOM 106 O PRO A 8 11.554 -0.285 -6.090 1.00 0.00 O ATOM 107 CB PRO A 8 10.322 -3.085 -7.491 1.00 0.00 C ATOM 108 CG PRO A 8 9.771 -3.060 -8.917 1.00 0.00 C ATOM 109 CD PRO A 8 8.457 -2.291 -8.769 1.00 0.00 C ATOM 110 HA PRO A 8 9.656 -1.905 -5.830 1.00 0.00 H ATOM 111 1HB PRO A 8 11.407 -3.199 -7.467 1.00 0.00 H ATOM 112 2HB PRO A 8 9.852 -3.907 -6.948 1.00 0.00 H ATOM 113 1HG PRO A 8 10.453 -2.509 -9.566 1.00 0.00 H ATOM 114 2HG PRO A 8 9.616 -4.064 -9.314 1.00 0.00 H ATOM 115 1HD PRO A 8 8.258 -1.699 -9.662 1.00 0.00 H ATOM 116 2HD PRO A 8 7.639 -2.993 -8.597 1.00 0.00 H ATOM 117 N LEU A 9 11.051 -0.131 -8.286 1.00 0.00 N ATOM 118 CA LEU A 9 11.986 0.937 -8.621 1.00 0.00 C ATOM 119 C LEU A 9 11.188 2.229 -8.813 1.00 0.00 C ATOM 120 O LEU A 9 11.415 3.210 -8.110 1.00 0.00 O ATOM 121 CB LEU A 9 12.782 0.529 -9.874 1.00 0.00 C ATOM 122 CG LEU A 9 14.147 1.227 -10.016 1.00 0.00 C ATOM 123 CD1 LEU A 9 14.869 0.657 -11.242 1.00 0.00 C ATOM 124 CD2 LEU A 9 14.041 2.750 -10.164 1.00 0.00 C ATOM 125 H LEU A 9 10.462 -0.475 -9.030 1.00 0.00 H ATOM 126 HA LEU A 9 12.696 1.078 -7.805 1.00 0.00 H ATOM 127 1HB LEU A 9 12.987 -0.540 -9.799 1.00 0.00 H ATOM 128 2HB LEU A 9 12.186 0.690 -10.773 1.00 0.00 H ATOM 129 HG LEU A 9 14.751 1.006 -9.135 1.00 0.00 H ATOM 130 1HD1 LEU A 9 14.982 -0.423 -11.138 1.00 0.00 H ATOM 131 2HD1 LEU A 9 14.298 0.871 -12.146 1.00 0.00 H ATOM 132 3HD1 LEU A 9 15.859 1.104 -11.331 1.00 0.00 H ATOM 133 1HD2 LEU A 9 13.338 3.005 -10.956 1.00 0.00 H ATOM 134 2HD2 LEU A 9 13.718 3.198 -9.226 1.00 0.00 H ATOM 135 3HD2 LEU A 9 15.020 3.162 -10.412 1.00 0.00 H ATOM 136 N THR A 10 10.235 2.208 -9.752 1.00 0.00 N ATOM 137 CA THR A 10 9.359 3.324 -10.079 1.00 0.00 C ATOM 138 C THR A 10 8.002 3.127 -9.396 1.00 0.00 C ATOM 139 O THR A 10 7.790 2.140 -8.693 1.00 0.00 O ATOM 140 CB THR A 10 9.201 3.392 -11.607 1.00 0.00 C ATOM 141 OG1 THR A 10 8.686 2.167 -12.088 1.00 0.00 O ATOM 142 CG2 THR A 10 10.536 3.681 -12.300 1.00 0.00 C ATOM 143 H THR A 10 10.092 1.360 -10.281 1.00 0.00 H ATOM 144 HA THR A 10 9.788 4.265 -9.731 1.00 0.00 H ATOM 145 HB THR A 10 8.508 4.193 -11.869 1.00 0.00 H ATOM 146 HG1 THR A 10 8.526 2.248 -13.031 1.00 0.00 H ATOM 147 1HG2 THR A 10 11.229 2.852 -12.154 1.00 0.00 H ATOM 148 2HG2 THR A 10 10.369 3.813 -13.369 1.00 0.00 H ATOM 149 3HG2 THR A 10 10.974 4.594 -11.896 1.00 0.00 H ATOM 150 N TRP A 11 7.071 4.061 -9.620 1.00 0.00 N ATOM 151 CA TRP A 11 5.690 3.904 -9.194 1.00 0.00 C ATOM 152 C TRP A 11 4.983 2.905 -10.108 1.00 0.00 C ATOM 153 O TRP A 11 5.199 2.921 -11.319 1.00 0.00 O ATOM 154 CB TRP A 11 4.978 5.259 -9.201 1.00 0.00 C ATOM 155 CG TRP A 11 3.622 5.253 -8.562 1.00 0.00 C ATOM 156 CD1 TRP A 11 2.478 4.823 -9.139 1.00 0.00 C ATOM 157 CD2 TRP A 11 3.254 5.666 -7.213 1.00 0.00 C ATOM 158 NE1 TRP A 11 1.432 4.934 -8.249 1.00 0.00 N ATOM 159 CE2 TRP A 11 1.855 5.454 -7.042 1.00 0.00 C ATOM 160 CE3 TRP A 11 3.959 6.207 -6.117 1.00 0.00 C ATOM 161 CZ2 TRP A 11 1.192 5.765 -5.845 1.00 0.00 C ATOM 162 CZ3 TRP A 11 3.308 6.498 -4.904 1.00 0.00 C ATOM 163 CH2 TRP A 11 1.928 6.275 -4.765 1.00 0.00 C ATOM 164 H TRP A 11 7.297 4.859 -10.196 1.00 0.00 H ATOM 165 HA TRP A 11 5.685 3.523 -8.177 1.00 0.00 H ATOM 166 1HB TRP A 11 5.596 5.975 -8.658 1.00 0.00 H ATOM 167 2HB TRP A 11 4.883 5.610 -10.229 1.00 0.00 H ATOM 168 HD1 TRP A 11 2.393 4.439 -10.145 1.00 0.00 H ATOM 169 HE1 TRP A 11 0.474 4.680 -8.439 1.00 0.00 H ATOM 170 HE3 TRP A 11 5.015 6.404 -6.215 1.00 0.00 H ATOM 171 HZ2 TRP A 11 0.127 5.619 -5.752 1.00 0.00 H ATOM 172 HZ3 TRP A 11 3.871 6.903 -4.076 1.00 0.00 H ATOM 173 HH2 TRP A 11 1.432 6.506 -3.833 1.00 0.00 H ATOM 174 N VAL A 12 4.142 2.041 -9.524 1.00 0.00 N ATOM 175 CA VAL A 12 3.393 1.023 -10.244 1.00 0.00 C ATOM 176 C VAL A 12 1.954 0.995 -9.729 1.00 0.00 C ATOM 177 O VAL A 12 1.730 0.913 -8.522 1.00 0.00 O ATOM 178 CB VAL A 12 4.076 -0.349 -10.083 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.233 -1.474 -10.702 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.458 -0.358 -10.750 1.00 0.00 C ATOM 181 H VAL A 12 4.004 2.095 -8.522 1.00 0.00 H ATOM 182 HA VAL A 12 3.367 1.264 -11.308 1.00 0.00 H ATOM 183 HB VAL A 12 4.198 -0.563 -9.021 1.00 0.00 H ATOM 184 1HG1 VAL A 12 3.026 -1.253 -11.749 1.00 0.00 H ATOM 185 2HG1 VAL A 12 3.776 -2.417 -10.639 1.00 0.00 H ATOM 186 3HG1 VAL A 12 2.291 -1.591 -10.166 1.00 0.00 H ATOM 187 1HG2 VAL A 12 5.363 -0.125 -11.811 1.00 0.00 H ATOM 188 2HG2 VAL A 12 6.119 0.371 -10.284 1.00 0.00 H ATOM 189 3HG2 VAL A 12 5.910 -1.345 -10.644 1.00 0.00 H ATOM 190 N CYS A 13 0.996 1.035 -10.664 1.00 0.00 N ATOM 191 CA CYS A 13 -0.422 0.801 -10.434 1.00 0.00 C ATOM 192 C CYS A 13 -0.751 -0.584 -10.984 1.00 0.00 C ATOM 193 O CYS A 13 -0.866 -0.757 -12.196 1.00 0.00 O ATOM 194 CB CYS A 13 -1.268 1.886 -11.105 1.00 0.00 C ATOM 195 SG CYS A 13 -1.340 3.493 -10.262 1.00 0.00 S ATOM 196 H CYS A 13 1.281 1.114 -11.630 1.00 0.00 H ATOM 197 HA CYS A 13 -0.663 0.808 -9.379 1.00 0.00 H ATOM 198 1HB CYS A 13 -0.889 2.050 -12.115 1.00 0.00 H ATOM 199 2HB CYS A 13 -2.295 1.528 -11.190 1.00 0.00 H ATOM 200 N LYS A 14 -0.898 -1.561 -10.083 1.00 0.00 N ATOM 201 CA LYS A 14 -1.223 -2.942 -10.404 1.00 0.00 C ATOM 202 C LYS A 14 -2.726 -3.121 -10.172 1.00 0.00 C ATOM 203 O LYS A 14 -3.151 -3.124 -9.018 1.00 0.00 O ATOM 204 CB LYS A 14 -0.378 -3.863 -9.505 1.00 0.00 C ATOM 205 CG LYS A 14 -0.817 -5.335 -9.484 1.00 0.00 C ATOM 206 CD LYS A 14 -0.807 -5.985 -10.871 1.00 0.00 C ATOM 207 CE LYS A 14 -1.190 -7.463 -10.766 1.00 0.00 C ATOM 208 NZ LYS A 14 -1.239 -8.098 -12.094 1.00 0.00 N ATOM 209 H LYS A 14 -0.785 -1.329 -9.104 1.00 0.00 H ATOM 210 HA LYS A 14 -0.939 -3.158 -11.431 1.00 0.00 H ATOM 211 1HB LYS A 14 0.660 -3.811 -9.838 1.00 0.00 H ATOM 212 2HB LYS A 14 -0.415 -3.495 -8.480 1.00 0.00 H ATOM 213 1HG LYS A 14 -0.124 -5.880 -8.840 1.00 0.00 H ATOM 214 2HG LYS A 14 -1.814 -5.422 -9.050 1.00 0.00 H ATOM 215 1HD LYS A 14 -1.532 -5.490 -11.514 1.00 0.00 H ATOM 216 2HD LYS A 14 0.187 -5.894 -11.312 1.00 0.00 H ATOM 217 1HE LYS A 14 -0.459 -7.989 -10.150 1.00 0.00 H ATOM 218 2HE LYS A 14 -2.174 -7.552 -10.304 1.00 0.00 H ATOM 219 1HZ LYS A 14 -0.331 -8.033 -12.533 1.00 0.00 H ATOM 220 2HZ LYS A 14 -1.494 -9.070 -11.993 1.00 0.00 H ATOM 221 3HZ LYS A 14 -1.925 -7.629 -12.667 1.00 0.00 H ATOM 222 N PRO A 15 -3.553 -3.244 -11.227 1.00 0.00 N ATOM 223 CA PRO A 15 -4.992 -3.363 -11.070 1.00 0.00 C ATOM 224 C PRO A 15 -5.348 -4.696 -10.412 1.00 0.00 C ATOM 225 O PRO A 15 -4.961 -5.757 -10.899 1.00 0.00 O ATOM 226 CB PRO A 15 -5.583 -3.222 -12.476 1.00 0.00 C ATOM 227 CG PRO A 15 -4.450 -3.697 -13.382 1.00 0.00 C ATOM 228 CD PRO A 15 -3.202 -3.221 -12.640 1.00 0.00 C ATOM 229 HA PRO A 15 -5.353 -2.544 -10.452 1.00 0.00 H ATOM 230 1HB PRO A 15 -6.498 -3.800 -12.612 1.00 0.00 H ATOM 231 2HB PRO A 15 -5.773 -2.168 -12.683 1.00 0.00 H ATOM 232 1HG PRO A 15 -4.455 -4.787 -13.427 1.00 0.00 H ATOM 233 2HG PRO A 15 -4.520 -3.279 -14.387 1.00 0.00 H ATOM 234 1HD PRO A 15 -2.372 -3.879 -12.891 1.00 0.00 H ATOM 235 2HD PRO A 15 -2.973 -2.197 -12.936 1.00 0.00 H ATOM 236 N GLN A 16 -6.070 -4.626 -9.287 1.00 0.00 N ATOM 237 CA GLN A 16 -6.441 -5.785 -8.490 1.00 0.00 C ATOM 238 C GLN A 16 -7.598 -6.530 -9.158 1.00 0.00 C ATOM 239 O GLN A 16 -7.506 -7.729 -9.409 1.00 0.00 O ATOM 240 CB GLN A 16 -6.811 -5.343 -7.068 1.00 0.00 C ATOM 241 CG GLN A 16 -5.629 -4.663 -6.366 1.00 0.00 C ATOM 242 CD GLN A 16 -5.988 -4.239 -4.944 1.00 0.00 C ATOM 243 OE1 GLN A 16 -5.524 -4.837 -3.976 1.00 0.00 O ATOM 244 NE2 GLN A 16 -6.809 -3.196 -4.811 1.00 0.00 N ATOM 245 H GLN A 16 -6.354 -3.720 -8.947 1.00 0.00 H ATOM 246 HA GLN A 16 -5.586 -6.461 -8.420 1.00 0.00 H ATOM 247 1HB GLN A 16 -7.657 -4.657 -7.107 1.00 0.00 H ATOM 248 2HB GLN A 16 -7.102 -6.221 -6.491 1.00 0.00 H ATOM 249 1HG GLN A 16 -4.790 -5.359 -6.327 1.00 0.00 H ATOM 250 2HG GLN A 16 -5.317 -3.778 -6.920 1.00 0.00 H ATOM 251 1HE2 GLN A 16 -7.184 -2.740 -5.632 1.00 0.00 H ATOM 252 2HE2 GLN A 16 -7.068 -2.879 -3.889 1.00 0.00 H HETATM 253 N NH2 A 17 -8.692 -5.821 -9.449 1.00 0.00 N HETATM 254 1HN NH2 A 17 -9.477 -6.275 -9.892 1.00 0.00 H HETATM 255 2HN NH2 A 17 -8.728 -4.837 -9.228 1.00 0.00 H TER 256 NH2 A 17 ENDMDL MODEL 16 ATOM 1 N THR A 1 -7.971 -4.381 -3.837 1.00 0.00 N ATOM 2 CA THR A 1 -8.486 -3.679 -5.027 1.00 0.00 C ATOM 3 C THR A 1 -7.391 -3.495 -6.078 1.00 0.00 C ATOM 4 O THR A 1 -7.478 -4.055 -7.169 1.00 0.00 O ATOM 5 CB THR A 1 -9.128 -2.333 -4.649 1.00 0.00 C ATOM 6 OG1 THR A 1 -8.222 -1.544 -3.901 1.00 0.00 O ATOM 7 CG2 THR A 1 -10.411 -2.529 -3.838 1.00 0.00 C ATOM 8 1H THR A 1 -7.552 -5.256 -4.116 1.00 0.00 H ATOM 9 2H THR A 1 -7.278 -3.801 -3.385 1.00 0.00 H ATOM 10 3H THR A 1 -8.729 -4.560 -3.194 1.00 0.00 H ATOM 11 HA THR A 1 -9.259 -4.309 -5.469 1.00 0.00 H ATOM 12 HB THR A 1 -9.387 -1.798 -5.564 1.00 0.00 H ATOM 13 HG1 THR A 1 -8.626 -0.690 -3.731 1.00 0.00 H ATOM 14 1HG2 THR A 1 -10.193 -3.018 -2.888 1.00 0.00 H ATOM 15 2HG2 THR A 1 -10.867 -1.559 -3.638 1.00 0.00 H ATOM 16 3HG2 THR A 1 -11.117 -3.139 -4.403 1.00 0.00 H ATOM 17 N TYR A 2 -6.367 -2.704 -5.743 1.00 0.00 N ATOM 18 CA TYR A 2 -5.287 -2.323 -6.641 1.00 0.00 C ATOM 19 C TYR A 2 -3.986 -2.143 -5.859 1.00 0.00 C ATOM 20 O TYR A 2 -4.009 -1.939 -4.646 1.00 0.00 O ATOM 21 CB TYR A 2 -5.678 -1.051 -7.400 1.00 0.00 C ATOM 22 CG TYR A 2 -6.263 0.066 -6.553 1.00 0.00 C ATOM 23 CD1 TYR A 2 -5.440 0.808 -5.687 1.00 0.00 C ATOM 24 CD2 TYR A 2 -7.639 0.353 -6.622 1.00 0.00 C ATOM 25 CE1 TYR A 2 -5.993 1.813 -4.876 1.00 0.00 C ATOM 26 CE2 TYR A 2 -8.193 1.356 -5.809 1.00 0.00 C ATOM 27 CZ TYR A 2 -7.370 2.085 -4.933 1.00 0.00 C ATOM 28 OH TYR A 2 -7.905 3.057 -4.139 1.00 0.00 O ATOM 29 H TYR A 2 -6.375 -2.275 -4.827 1.00 0.00 H ATOM 30 HA TYR A 2 -5.126 -3.103 -7.386 1.00 0.00 H ATOM 31 1HB TYR A 2 -4.808 -0.670 -7.935 1.00 0.00 H ATOM 32 2HB TYR A 2 -6.421 -1.351 -8.138 1.00 0.00 H ATOM 33 HD1 TYR A 2 -4.381 0.609 -5.636 1.00 0.00 H ATOM 34 HD2 TYR A 2 -8.281 -0.199 -7.292 1.00 0.00 H ATOM 35 HE1 TYR A 2 -5.357 2.376 -4.208 1.00 0.00 H ATOM 36 HE2 TYR A 2 -9.252 1.565 -5.864 1.00 0.00 H ATOM 37 HH TYR A 2 -8.850 3.170 -4.260 1.00 0.00 H ATOM 38 N SER A 3 -2.856 -2.216 -6.573 1.00 0.00 N ATOM 39 CA SER A 3 -1.515 -2.057 -6.030 1.00 0.00 C ATOM 40 C SER A 3 -0.911 -0.774 -6.604 1.00 0.00 C ATOM 41 O SER A 3 -0.066 -0.828 -7.495 1.00 0.00 O ATOM 42 CB SER A 3 -0.691 -3.308 -6.364 1.00 0.00 C ATOM 43 OG SER A 3 0.589 -3.242 -5.773 1.00 0.00 O ATOM 44 H SER A 3 -2.931 -2.379 -7.567 1.00 0.00 H ATOM 45 HA SER A 3 -1.547 -1.964 -4.943 1.00 0.00 H ATOM 46 1HB SER A 3 -1.203 -4.189 -5.974 1.00 0.00 H ATOM 47 2HB SER A 3 -0.584 -3.415 -7.444 1.00 0.00 H ATOM 48 HG SER A 3 0.490 -3.117 -4.827 1.00 0.00 H ATOM 49 N CYS A 4 -1.379 0.375 -6.100 1.00 0.00 N ATOM 50 CA CYS A 4 -0.973 1.707 -6.533 1.00 0.00 C ATOM 51 C CYS A 4 -0.025 2.309 -5.503 1.00 0.00 C ATOM 52 O CYS A 4 -0.449 3.014 -4.588 1.00 0.00 O ATOM 53 CB CYS A 4 -2.216 2.554 -6.816 1.00 0.00 C ATOM 54 SG CYS A 4 -3.140 1.931 -8.249 1.00 0.00 S ATOM 55 H CYS A 4 -2.072 0.324 -5.367 1.00 0.00 H ATOM 56 HA CYS A 4 -0.420 1.659 -7.463 1.00 0.00 H ATOM 57 1HB CYS A 4 -2.866 2.541 -5.940 1.00 0.00 H ATOM 58 2HB CYS A 4 -1.924 3.586 -7.009 1.00 0.00 H ATOM 59 N HIS A 5 1.263 1.985 -5.661 1.00 0.00 N ATOM 60 CA HIS A 5 2.339 2.317 -4.740 1.00 0.00 C ATOM 61 C HIS A 5 3.594 2.708 -5.521 1.00 0.00 C ATOM 62 O HIS A 5 3.688 2.460 -6.724 1.00 0.00 O ATOM 63 CB HIS A 5 2.633 1.095 -3.860 1.00 0.00 C ATOM 64 CG HIS A 5 3.251 -0.043 -4.635 1.00 0.00 C ATOM 65 ND1 HIS A 5 2.538 -0.724 -5.621 1.00 0.00 N ATOM 66 CD2 HIS A 5 4.534 -0.523 -4.606 1.00 0.00 C ATOM 67 CE1 HIS A 5 3.418 -1.573 -6.157 1.00 0.00 C ATOM 68 NE2 HIS A 5 4.629 -1.493 -5.583 1.00 0.00 N ATOM 69 H HIS A 5 1.518 1.415 -6.459 1.00 0.00 H ATOM 70 HA HIS A 5 2.043 3.154 -4.105 1.00 0.00 H ATOM 71 1HB HIS A 5 3.322 1.388 -3.067 1.00 0.00 H ATOM 72 2HB HIS A 5 1.708 0.751 -3.395 1.00 0.00 H ATOM 73 HD2 HIS A 5 5.332 -0.176 -3.967 1.00 0.00 H ATOM 74 HE1 HIS A 5 3.181 -2.249 -6.966 1.00 0.00 H ATOM 75 HE2 HIS A 5 5.455 -2.019 -5.827 1.00 0.00 H ATOM 76 N PHE A 6 4.578 3.278 -4.814 1.00 0.00 N ATOM 77 CA PHE A 6 5.906 3.506 -5.357 1.00 0.00 C ATOM 78 C PHE A 6 6.783 2.308 -5.008 1.00 0.00 C ATOM 79 O PHE A 6 7.178 2.142 -3.855 1.00 0.00 O ATOM 80 CB PHE A 6 6.501 4.821 -4.843 1.00 0.00 C ATOM 81 CG PHE A 6 7.747 5.218 -5.612 1.00 0.00 C ATOM 82 CD1 PHE A 6 7.622 5.929 -6.821 1.00 0.00 C ATOM 83 CD2 PHE A 6 9.007 4.731 -5.218 1.00 0.00 C ATOM 84 CE1 PHE A 6 8.754 6.176 -7.616 1.00 0.00 C ATOM 85 CE2 PHE A 6 10.138 4.970 -6.018 1.00 0.00 C ATOM 86 CZ PHE A 6 10.013 5.699 -7.213 1.00 0.00 C ATOM 87 H PHE A 6 4.437 3.449 -3.829 1.00 0.00 H ATOM 88 HA PHE A 6 5.848 3.597 -6.437 1.00 0.00 H ATOM 89 1HB PHE A 6 5.760 5.613 -4.956 1.00 0.00 H ATOM 90 2HB PHE A 6 6.733 4.736 -3.780 1.00 0.00 H ATOM 91 HD1 PHE A 6 6.655 6.281 -7.148 1.00 0.00 H ATOM 92 HD2 PHE A 6 9.110 4.156 -4.309 1.00 0.00 H ATOM 93 HE1 PHE A 6 8.656 6.729 -8.539 1.00 0.00 H ATOM 94 HE2 PHE A 6 11.103 4.587 -5.719 1.00 0.00 H ATOM 95 HZ PHE A 6 10.883 5.886 -7.825 1.00 0.00 H ATOM 96 N GLY A 7 7.080 1.470 -6.005 1.00 0.00 N ATOM 97 CA GLY A 7 7.942 0.315 -5.848 1.00 0.00 C ATOM 98 C GLY A 7 7.749 -0.647 -7.022 1.00 0.00 C ATOM 99 O GLY A 7 6.709 -0.603 -7.677 1.00 0.00 O ATOM 100 H GLY A 7 6.734 1.661 -6.937 1.00 0.00 H ATOM 101 1HA GLY A 7 8.964 0.686 -5.803 1.00 0.00 H ATOM 102 2HA GLY A 7 7.709 -0.211 -4.922 1.00 0.00 H ATOM 103 N PRO A 8 8.719 -1.534 -7.294 1.00 0.00 N ATOM 104 CA PRO A 8 9.951 -1.717 -6.539 1.00 0.00 C ATOM 105 C PRO A 8 10.964 -0.604 -6.823 1.00 0.00 C ATOM 106 O PRO A 8 11.625 -0.136 -5.899 1.00 0.00 O ATOM 107 CB PRO A 8 10.482 -3.087 -6.972 1.00 0.00 C ATOM 108 CG PRO A 8 9.960 -3.242 -8.400 1.00 0.00 C ATOM 109 CD PRO A 8 8.611 -2.523 -8.353 1.00 0.00 C ATOM 110 HA PRO A 8 9.742 -1.747 -5.468 1.00 0.00 H ATOM 111 1HB PRO A 8 11.570 -3.156 -6.918 1.00 0.00 H ATOM 112 2HB PRO A 8 10.030 -3.858 -6.347 1.00 0.00 H ATOM 113 1HG PRO A 8 10.629 -2.732 -9.094 1.00 0.00 H ATOM 114 2HG PRO A 8 9.857 -4.289 -8.688 1.00 0.00 H ATOM 115 1HD PRO A 8 8.391 -2.057 -9.315 1.00 0.00 H ATOM 116 2HD PRO A 8 7.824 -3.234 -8.098 1.00 0.00 H ATOM 117 N LEU A 9 11.072 -0.179 -8.089 1.00 0.00 N ATOM 118 CA LEU A 9 11.994 0.856 -8.539 1.00 0.00 C ATOM 119 C LEU A 9 11.238 2.155 -8.830 1.00 0.00 C ATOM 120 O LEU A 9 11.688 3.226 -8.429 1.00 0.00 O ATOM 121 CB LEU A 9 12.739 0.347 -9.782 1.00 0.00 C ATOM 122 CG LEU A 9 13.803 1.320 -10.322 1.00 0.00 C ATOM 123 CD1 LEU A 9 14.950 1.535 -9.327 1.00 0.00 C ATOM 124 CD2 LEU A 9 14.372 0.761 -11.631 1.00 0.00 C ATOM 125 H LEU A 9 10.484 -0.608 -8.788 1.00 0.00 H ATOM 126 HA LEU A 9 12.727 1.051 -7.758 1.00 0.00 H ATOM 127 1HB LEU A 9 13.226 -0.598 -9.535 1.00 0.00 H ATOM 128 2HB LEU A 9 12.008 0.155 -10.569 1.00 0.00 H ATOM 129 HG LEU A 9 13.349 2.286 -10.541 1.00 0.00 H ATOM 130 1HD1 LEU A 9 15.375 0.576 -9.030 1.00 0.00 H ATOM 131 2HD1 LEU A 9 15.729 2.139 -9.792 1.00 0.00 H ATOM 132 3HD1 LEU A 9 14.595 2.063 -8.443 1.00 0.00 H ATOM 133 1HD2 LEU A 9 13.570 0.633 -12.359 1.00 0.00 H ATOM 134 2HD2 LEU A 9 15.108 1.453 -12.041 1.00 0.00 H ATOM 135 3HD2 LEU A 9 14.849 -0.203 -11.451 1.00 0.00 H ATOM 136 N THR A 10 10.113 2.054 -9.550 1.00 0.00 N ATOM 137 CA THR A 10 9.318 3.182 -10.026 1.00 0.00 C ATOM 138 C THR A 10 7.883 3.081 -9.498 1.00 0.00 C ATOM 139 O THR A 10 7.544 2.145 -8.775 1.00 0.00 O ATOM 140 CB THR A 10 9.344 3.206 -11.565 1.00 0.00 C ATOM 141 OG1 THR A 10 8.792 2.014 -12.086 1.00 0.00 O ATOM 142 CG2 THR A 10 10.765 3.383 -12.110 1.00 0.00 C ATOM 143 H THR A 10 9.792 1.135 -9.814 1.00 0.00 H ATOM 144 HA THR A 10 9.734 4.123 -9.667 1.00 0.00 H ATOM 145 HB THR A 10 8.748 4.046 -11.923 1.00 0.00 H ATOM 146 HG1 THR A 10 9.361 1.279 -11.846 1.00 0.00 H ATOM 147 1HG2 THR A 10 11.373 2.509 -11.883 1.00 0.00 H ATOM 148 2HG2 THR A 10 10.723 3.507 -13.192 1.00 0.00 H ATOM 149 3HG2 THR A 10 11.224 4.268 -11.670 1.00 0.00 H ATOM 150 N TRP A 11 7.033 4.041 -9.882 1.00 0.00 N ATOM 151 CA TRP A 11 5.607 3.999 -9.602 1.00 0.00 C ATOM 152 C TRP A 11 4.951 2.852 -10.373 1.00 0.00 C ATOM 153 O TRP A 11 5.163 2.720 -11.577 1.00 0.00 O ATOM 154 CB TRP A 11 4.959 5.337 -9.966 1.00 0.00 C ATOM 155 CG TRP A 11 3.483 5.394 -9.716 1.00 0.00 C ATOM 156 CD1 TRP A 11 2.522 5.301 -10.661 1.00 0.00 C ATOM 157 CD2 TRP A 11 2.778 5.496 -8.442 1.00 0.00 C ATOM 158 NE1 TRP A 11 1.276 5.350 -10.071 1.00 0.00 N ATOM 159 CE2 TRP A 11 1.377 5.458 -8.699 1.00 0.00 C ATOM 160 CE3 TRP A 11 3.179 5.619 -7.095 1.00 0.00 C ATOM 161 CZ2 TRP A 11 0.423 5.528 -7.673 1.00 0.00 C ATOM 162 CZ3 TRP A 11 2.231 5.687 -6.056 1.00 0.00 C ATOM 163 CH2 TRP A 11 0.856 5.635 -6.342 1.00 0.00 C ATOM 164 H TRP A 11 7.370 4.791 -10.466 1.00 0.00 H ATOM 165 HA TRP A 11 5.463 3.842 -8.536 1.00 0.00 H ATOM 166 1HB TRP A 11 5.432 6.126 -9.381 1.00 0.00 H ATOM 167 2HB TRP A 11 5.145 5.544 -11.022 1.00 0.00 H ATOM 168 HD1 TRP A 11 2.700 5.194 -11.721 1.00 0.00 H ATOM 169 HE1 TRP A 11 0.394 5.305 -10.559 1.00 0.00 H ATOM 170 HE3 TRP A 11 4.231 5.659 -6.859 1.00 0.00 H ATOM 171 HZ2 TRP A 11 -0.631 5.503 -7.905 1.00 0.00 H ATOM 172 HZ3 TRP A 11 2.563 5.777 -5.032 1.00 0.00 H ATOM 173 HH2 TRP A 11 0.134 5.685 -5.540 1.00 0.00 H ATOM 174 N VAL A 12 4.149 2.041 -9.673 1.00 0.00 N ATOM 175 CA VAL A 12 3.389 0.938 -10.244 1.00 0.00 C ATOM 176 C VAL A 12 1.960 1.046 -9.718 1.00 0.00 C ATOM 177 O VAL A 12 1.752 0.999 -8.508 1.00 0.00 O ATOM 178 CB VAL A 12 4.042 -0.403 -9.865 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.172 -1.589 -10.305 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.420 -0.540 -10.528 1.00 0.00 C ATOM 181 H VAL A 12 4.021 2.216 -8.683 1.00 0.00 H ATOM 182 HA VAL A 12 3.366 1.014 -11.332 1.00 0.00 H ATOM 183 HB VAL A 12 4.168 -0.450 -8.783 1.00 0.00 H ATOM 184 1HG1 VAL A 12 2.978 -1.526 -11.376 1.00 0.00 H ATOM 185 2HG1 VAL A 12 3.689 -2.524 -10.090 1.00 0.00 H ATOM 186 3HG1 VAL A 12 2.224 -1.593 -9.767 1.00 0.00 H ATOM 187 1HG2 VAL A 12 5.321 -0.480 -11.613 1.00 0.00 H ATOM 188 2HG2 VAL A 12 6.090 0.249 -10.190 1.00 0.00 H ATOM 189 3HG2 VAL A 12 5.862 -1.502 -10.265 1.00 0.00 H ATOM 190 N CYS A 13 0.990 1.212 -10.630 1.00 0.00 N ATOM 191 CA CYS A 13 -0.430 1.282 -10.317 1.00 0.00 C ATOM 192 C CYS A 13 -1.242 0.544 -11.377 1.00 0.00 C ATOM 193 O CYS A 13 -1.067 0.780 -12.570 1.00 0.00 O ATOM 194 CB CYS A 13 -0.840 2.749 -10.160 1.00 0.00 C ATOM 195 SG CYS A 13 -2.580 3.131 -9.804 1.00 0.00 S ATOM 196 H CYS A 13 1.242 1.252 -11.607 1.00 0.00 H ATOM 197 HA CYS A 13 -0.608 0.766 -9.379 1.00 0.00 H ATOM 198 1HB CYS A 13 -0.252 3.165 -9.344 1.00 0.00 H ATOM 199 2HB CYS A 13 -0.575 3.281 -11.075 1.00 0.00 H ATOM 200 N LYS A 14 -2.127 -0.350 -10.919 1.00 0.00 N ATOM 201 CA LYS A 14 -3.047 -1.125 -11.738 1.00 0.00 C ATOM 202 C LYS A 14 -4.440 -0.974 -11.118 1.00 0.00 C ATOM 203 O LYS A 14 -4.852 -1.838 -10.345 1.00 0.00 O ATOM 204 CB LYS A 14 -2.598 -2.594 -11.766 1.00 0.00 C ATOM 205 CG LYS A 14 -1.227 -2.759 -12.433 1.00 0.00 C ATOM 206 CD LYS A 14 -0.864 -4.246 -12.527 1.00 0.00 C ATOM 207 CE LYS A 14 0.481 -4.464 -13.229 1.00 0.00 C ATOM 208 NZ LYS A 14 1.603 -3.899 -12.462 1.00 0.00 N ATOM 209 H LYS A 14 -2.194 -0.482 -9.920 1.00 0.00 H ATOM 210 HA LYS A 14 -3.060 -0.766 -12.767 1.00 0.00 H ATOM 211 1HB LYS A 14 -2.543 -2.986 -10.749 1.00 0.00 H ATOM 212 2HB LYS A 14 -3.334 -3.171 -12.327 1.00 0.00 H ATOM 213 1HG LYS A 14 -1.258 -2.330 -13.436 1.00 0.00 H ATOM 214 2HG LYS A 14 -0.472 -2.237 -11.845 1.00 0.00 H ATOM 215 1HD LYS A 14 -0.823 -4.677 -11.525 1.00 0.00 H ATOM 216 2HD LYS A 14 -1.637 -4.764 -13.097 1.00 0.00 H ATOM 217 1HE LYS A 14 0.648 -5.536 -13.343 1.00 0.00 H ATOM 218 2HE LYS A 14 0.456 -4.008 -14.219 1.00 0.00 H ATOM 219 1HZ LYS A 14 1.630 -4.318 -11.543 1.00 0.00 H ATOM 220 2HZ LYS A 14 2.470 -4.090 -12.943 1.00 0.00 H ATOM 221 3HZ LYS A 14 1.484 -2.900 -12.373 1.00 0.00 H ATOM 222 N PRO A 15 -5.158 0.125 -11.409 1.00 0.00 N ATOM 223 CA PRO A 15 -6.389 0.489 -10.723 1.00 0.00 C ATOM 224 C PRO A 15 -7.590 -0.276 -11.292 1.00 0.00 C ATOM 225 O PRO A 15 -8.493 0.320 -11.875 1.00 0.00 O ATOM 226 CB PRO A 15 -6.497 2.006 -10.910 1.00 0.00 C ATOM 227 CG PRO A 15 -5.887 2.215 -12.295 1.00 0.00 C ATOM 228 CD PRO A 15 -4.763 1.179 -12.332 1.00 0.00 C ATOM 229 HA PRO A 15 -6.312 0.280 -9.657 1.00 0.00 H ATOM 230 1HB PRO A 15 -7.514 2.390 -10.832 1.00 0.00 H ATOM 231 2HB PRO A 15 -5.865 2.500 -10.170 1.00 0.00 H ATOM 232 1HG PRO A 15 -6.629 1.978 -13.059 1.00 0.00 H ATOM 233 2HG PRO A 15 -5.517 3.232 -12.434 1.00 0.00 H ATOM 234 1HD PRO A 15 -4.643 0.800 -13.348 1.00 0.00 H ATOM 235 2HD PRO A 15 -3.837 1.640 -11.994 1.00 0.00 H ATOM 236 N GLN A 16 -7.598 -1.602 -11.097 1.00 0.00 N ATOM 237 CA GLN A 16 -8.680 -2.502 -11.482 1.00 0.00 C ATOM 238 C GLN A 16 -9.036 -2.342 -12.964 1.00 0.00 C ATOM 239 O GLN A 16 -10.185 -2.085 -13.317 1.00 0.00 O ATOM 240 CB GLN A 16 -9.890 -2.308 -10.551 1.00 0.00 C ATOM 241 CG GLN A 16 -9.522 -2.657 -9.104 1.00 0.00 C ATOM 242 CD GLN A 16 -10.669 -2.396 -8.131 1.00 0.00 C ATOM 243 OE1 GLN A 16 -11.182 -3.322 -7.508 1.00 0.00 O ATOM 244 NE2 GLN A 16 -11.060 -1.130 -7.979 1.00 0.00 N ATOM 245 H GLN A 16 -6.807 -2.012 -10.618 1.00 0.00 H ATOM 246 HA GLN A 16 -8.322 -3.524 -11.349 1.00 0.00 H ATOM 247 1HB GLN A 16 -10.239 -1.276 -10.611 1.00 0.00 H ATOM 248 2HB GLN A 16 -10.699 -2.968 -10.866 1.00 0.00 H ATOM 249 1HG GLN A 16 -9.255 -3.713 -9.061 1.00 0.00 H ATOM 250 2HG GLN A 16 -8.667 -2.067 -8.780 1.00 0.00 H ATOM 251 1HE2 GLN A 16 -10.614 -0.396 -8.510 1.00 0.00 H ATOM 252 2HE2 GLN A 16 -11.815 -0.914 -7.345 1.00 0.00 H HETATM 253 N NH2 A 17 -8.042 -2.498 -13.841 1.00 0.00 N HETATM 254 1HN NH2 A 17 -8.226 -2.399 -14.828 1.00 0.00 H HETATM 255 2HN NH2 A 17 -7.109 -2.703 -13.512 1.00 0.00 H TER 256 NH2 A 17 ENDMDL MODEL 17 ATOM 1 N THR A 1 -7.446 -5.794 -5.355 1.00 0.00 N ATOM 2 CA THR A 1 -6.278 -5.632 -4.469 1.00 0.00 C ATOM 3 C THR A 1 -5.218 -4.766 -5.154 1.00 0.00 C ATOM 4 O THR A 1 -4.086 -5.197 -5.367 1.00 0.00 O ATOM 5 CB THR A 1 -5.738 -7.013 -4.061 1.00 0.00 C ATOM 6 OG1 THR A 1 -6.815 -7.843 -3.677 1.00 0.00 O ATOM 7 CG2 THR A 1 -4.754 -6.937 -2.886 1.00 0.00 C ATOM 8 1H THR A 1 -8.121 -6.396 -4.904 1.00 0.00 H ATOM 9 2H THR A 1 -7.862 -4.895 -5.546 1.00 0.00 H ATOM 10 3H THR A 1 -7.142 -6.218 -6.222 1.00 0.00 H ATOM 11 HA THR A 1 -6.618 -5.117 -3.570 1.00 0.00 H ATOM 12 HB THR A 1 -5.252 -7.471 -4.925 1.00 0.00 H ATOM 13 HG1 THR A 1 -7.244 -7.456 -2.910 1.00 0.00 H ATOM 14 1HG2 THR A 1 -4.432 -7.945 -2.621 1.00 0.00 H ATOM 15 2HG2 THR A 1 -3.874 -6.350 -3.146 1.00 0.00 H ATOM 16 3HG2 THR A 1 -5.241 -6.484 -2.022 1.00 0.00 H ATOM 17 N TYR A 2 -5.613 -3.545 -5.529 1.00 0.00 N ATOM 18 CA TYR A 2 -4.830 -2.665 -6.382 1.00 0.00 C ATOM 19 C TYR A 2 -3.559 -2.215 -5.661 1.00 0.00 C ATOM 20 O TYR A 2 -3.636 -1.601 -4.599 1.00 0.00 O ATOM 21 CB TYR A 2 -5.676 -1.460 -6.813 1.00 0.00 C ATOM 22 CG TYR A 2 -6.893 -1.722 -7.693 1.00 0.00 C ATOM 23 CD1 TYR A 2 -7.334 -3.024 -8.021 1.00 0.00 C ATOM 24 CD2 TYR A 2 -7.596 -0.611 -8.197 1.00 0.00 C ATOM 25 CE1 TYR A 2 -8.479 -3.201 -8.818 1.00 0.00 C ATOM 26 CE2 TYR A 2 -8.723 -0.791 -9.017 1.00 0.00 C ATOM 27 CZ TYR A 2 -9.165 -2.087 -9.328 1.00 0.00 C ATOM 28 OH TYR A 2 -10.255 -2.260 -10.129 1.00 0.00 O ATOM 29 H TYR A 2 -6.549 -3.248 -5.295 1.00 0.00 H ATOM 30 HA TYR A 2 -4.550 -3.199 -7.289 1.00 0.00 H ATOM 31 1HB TYR A 2 -6.014 -0.936 -5.918 1.00 0.00 H ATOM 32 2HB TYR A 2 -5.022 -0.786 -7.367 1.00 0.00 H ATOM 33 HD1 TYR A 2 -6.810 -3.906 -7.688 1.00 0.00 H ATOM 34 HD2 TYR A 2 -7.266 0.390 -7.957 1.00 0.00 H ATOM 35 HE1 TYR A 2 -8.824 -4.197 -9.050 1.00 0.00 H ATOM 36 HE2 TYR A 2 -9.249 0.068 -9.406 1.00 0.00 H ATOM 37 HH TYR A 2 -10.468 -3.182 -10.287 1.00 0.00 H ATOM 38 N SER A 3 -2.396 -2.509 -6.256 1.00 0.00 N ATOM 39 CA SER A 3 -1.095 -2.167 -5.702 1.00 0.00 C ATOM 40 C SER A 3 -0.602 -0.898 -6.391 1.00 0.00 C ATOM 41 O SER A 3 0.237 -0.955 -7.287 1.00 0.00 O ATOM 42 CB SER A 3 -0.129 -3.343 -5.887 1.00 0.00 C ATOM 43 OG SER A 3 1.117 -3.051 -5.291 1.00 0.00 O ATOM 44 H SER A 3 -2.411 -3.003 -7.135 1.00 0.00 H ATOM 45 HA SER A 3 -1.171 -1.981 -4.629 1.00 0.00 H ATOM 46 1HB SER A 3 -0.540 -4.226 -5.397 1.00 0.00 H ATOM 47 2HB SER A 3 0.016 -3.558 -6.947 1.00 0.00 H ATOM 48 HG SER A 3 1.474 -2.252 -5.692 1.00 0.00 H ATOM 49 N CYS A 4 -1.148 0.244 -5.957 1.00 0.00 N ATOM 50 CA CYS A 4 -0.819 1.570 -6.457 1.00 0.00 C ATOM 51 C CYS A 4 0.152 2.229 -5.486 1.00 0.00 C ATOM 52 O CYS A 4 -0.257 2.950 -4.577 1.00 0.00 O ATOM 53 CB CYS A 4 -2.114 2.354 -6.685 1.00 0.00 C ATOM 54 SG CYS A 4 -3.073 1.671 -8.065 1.00 0.00 S ATOM 55 H CYS A 4 -1.837 0.188 -5.221 1.00 0.00 H ATOM 56 HA CYS A 4 -0.319 1.506 -7.415 1.00 0.00 H ATOM 57 1HB CYS A 4 -2.722 2.314 -5.780 1.00 0.00 H ATOM 58 2HB CYS A 4 -1.883 3.397 -6.900 1.00 0.00 H ATOM 59 N HIS A 5 1.442 1.926 -5.677 1.00 0.00 N ATOM 60 CA HIS A 5 2.525 2.276 -4.771 1.00 0.00 C ATOM 61 C HIS A 5 3.764 2.704 -5.556 1.00 0.00 C ATOM 62 O HIS A 5 3.880 2.427 -6.751 1.00 0.00 O ATOM 63 CB HIS A 5 2.851 1.064 -3.887 1.00 0.00 C ATOM 64 CG HIS A 5 3.533 -0.058 -4.633 1.00 0.00 C ATOM 65 ND1 HIS A 5 2.923 -0.702 -5.711 1.00 0.00 N ATOM 66 CD2 HIS A 5 4.790 -0.575 -4.464 1.00 0.00 C ATOM 67 CE1 HIS A 5 3.838 -1.568 -6.155 1.00 0.00 C ATOM 68 NE2 HIS A 5 4.968 -1.543 -5.430 1.00 0.00 N ATOM 69 H HIS A 5 1.687 1.343 -6.468 1.00 0.00 H ATOM 70 HA HIS A 5 2.217 3.104 -4.130 1.00 0.00 H ATOM 71 1HB HIS A 5 3.511 1.389 -3.082 1.00 0.00 H ATOM 72 2HB HIS A 5 1.932 0.685 -3.437 1.00 0.00 H ATOM 73 HD2 HIS A 5 5.516 -0.268 -3.725 1.00 0.00 H ATOM 74 HE1 HIS A 5 3.679 -2.229 -6.994 1.00 0.00 H ATOM 75 HE2 HIS A 5 5.794 -2.106 -5.571 1.00 0.00 H ATOM 76 N PHE A 6 4.710 3.347 -4.859 1.00 0.00 N ATOM 77 CA PHE A 6 6.016 3.671 -5.405 1.00 0.00 C ATOM 78 C PHE A 6 6.972 2.509 -5.142 1.00 0.00 C ATOM 79 O PHE A 6 7.685 2.494 -4.141 1.00 0.00 O ATOM 80 CB PHE A 6 6.536 5.000 -4.845 1.00 0.00 C ATOM 81 CG PHE A 6 7.772 5.491 -5.576 1.00 0.00 C ATOM 82 CD1 PHE A 6 7.647 6.025 -6.872 1.00 0.00 C ATOM 83 CD2 PHE A 6 9.053 5.288 -5.027 1.00 0.00 C ATOM 84 CE1 PHE A 6 8.793 6.360 -7.613 1.00 0.00 C ATOM 85 CE2 PHE A 6 10.199 5.627 -5.766 1.00 0.00 C ATOM 86 CZ PHE A 6 10.070 6.162 -7.060 1.00 0.00 C ATOM 87 H PHE A 6 4.550 3.538 -3.880 1.00 0.00 H ATOM 88 HA PHE A 6 5.933 3.805 -6.480 1.00 0.00 H ATOM 89 1HB PHE A 6 5.758 5.756 -4.955 1.00 0.00 H ATOM 90 2HB PHE A 6 6.745 4.897 -3.779 1.00 0.00 H ATOM 91 HD1 PHE A 6 6.671 6.169 -7.308 1.00 0.00 H ATOM 92 HD2 PHE A 6 9.163 4.853 -4.044 1.00 0.00 H ATOM 93 HE1 PHE A 6 8.693 6.766 -8.609 1.00 0.00 H ATOM 94 HE2 PHE A 6 11.180 5.461 -5.347 1.00 0.00 H ATOM 95 HZ PHE A 6 10.952 6.410 -7.632 1.00 0.00 H ATOM 96 N GLY A 7 6.983 1.536 -6.055 1.00 0.00 N ATOM 97 CA GLY A 7 7.936 0.443 -6.045 1.00 0.00 C ATOM 98 C GLY A 7 7.600 -0.555 -7.156 1.00 0.00 C ATOM 99 O GLY A 7 6.558 -0.414 -7.793 1.00 0.00 O ATOM 100 H GLY A 7 6.365 1.597 -6.855 1.00 0.00 H ATOM 101 1HA GLY A 7 8.914 0.891 -6.208 1.00 0.00 H ATOM 102 2HA GLY A 7 7.917 -0.063 -5.080 1.00 0.00 H ATOM 103 N PRO A 8 8.435 -1.582 -7.393 1.00 0.00 N ATOM 104 CA PRO A 8 9.666 -1.900 -6.675 1.00 0.00 C ATOM 105 C PRO A 8 10.717 -0.790 -6.740 1.00 0.00 C ATOM 106 O PRO A 8 11.350 -0.493 -5.730 1.00 0.00 O ATOM 107 CB PRO A 8 10.196 -3.190 -7.313 1.00 0.00 C ATOM 108 CG PRO A 8 8.940 -3.844 -7.883 1.00 0.00 C ATOM 109 CD PRO A 8 8.124 -2.638 -8.342 1.00 0.00 C ATOM 110 HA PRO A 8 9.412 -2.105 -5.634 1.00 0.00 H ATOM 111 1HB PRO A 8 10.871 -2.957 -8.138 1.00 0.00 H ATOM 112 2HB PRO A 8 10.701 -3.830 -6.589 1.00 0.00 H ATOM 113 1HG PRO A 8 9.162 -4.531 -8.700 1.00 0.00 H ATOM 114 2HG PRO A 8 8.407 -4.362 -7.085 1.00 0.00 H ATOM 115 1HD PRO A 8 8.443 -2.327 -9.337 1.00 0.00 H ATOM 116 2HD PRO A 8 7.062 -2.886 -8.352 1.00 0.00 H ATOM 117 N LEU A 9 10.876 -0.173 -7.919 1.00 0.00 N ATOM 118 CA LEU A 9 11.775 0.951 -8.151 1.00 0.00 C ATOM 119 C LEU A 9 10.957 2.205 -8.466 1.00 0.00 C ATOM 120 O LEU A 9 11.067 3.205 -7.761 1.00 0.00 O ATOM 121 CB LEU A 9 12.745 0.594 -9.288 1.00 0.00 C ATOM 122 CG LEU A 9 13.731 1.720 -9.647 1.00 0.00 C ATOM 123 CD1 LEU A 9 14.656 2.073 -8.476 1.00 0.00 C ATOM 124 CD2 LEU A 9 14.579 1.278 -10.845 1.00 0.00 C ATOM 125 H LEU A 9 10.311 -0.479 -8.698 1.00 0.00 H ATOM 126 HA LEU A 9 12.360 1.144 -7.253 1.00 0.00 H ATOM 127 1HB LEU A 9 13.312 -0.290 -8.994 1.00 0.00 H ATOM 128 2HB LEU A 9 12.166 0.342 -10.178 1.00 0.00 H ATOM 129 HG LEU A 9 13.183 2.615 -9.939 1.00 0.00 H ATOM 130 1HD1 LEU A 9 15.161 1.178 -8.112 1.00 0.00 H ATOM 131 2HD1 LEU A 9 15.405 2.794 -8.806 1.00 0.00 H ATOM 132 3HD1 LEU A 9 14.087 2.524 -7.663 1.00 0.00 H ATOM 133 1HD2 LEU A 9 13.933 1.051 -11.693 1.00 0.00 H ATOM 134 2HD2 LEU A 9 15.263 2.078 -11.130 1.00 0.00 H ATOM 135 3HD2 LEU A 9 15.157 0.389 -10.588 1.00 0.00 H ATOM 136 N THR A 10 10.149 2.145 -9.531 1.00 0.00 N ATOM 137 CA THR A 10 9.345 3.252 -10.032 1.00 0.00 C ATOM 138 C THR A 10 7.896 3.109 -9.554 1.00 0.00 C ATOM 139 O THR A 10 7.557 2.149 -8.866 1.00 0.00 O ATOM 140 CB THR A 10 9.422 3.259 -11.568 1.00 0.00 C ATOM 141 OG1 THR A 10 8.985 2.013 -12.072 1.00 0.00 O ATOM 142 CG2 THR A 10 10.850 3.525 -12.058 1.00 0.00 C ATOM 143 H THR A 10 10.101 1.285 -10.058 1.00 0.00 H ATOM 144 HA THR A 10 9.733 4.203 -9.665 1.00 0.00 H ATOM 145 HB THR A 10 8.780 4.045 -11.965 1.00 0.00 H ATOM 146 HG1 THR A 10 8.983 2.052 -13.031 1.00 0.00 H ATOM 147 1HG2 THR A 10 11.512 2.710 -11.766 1.00 0.00 H ATOM 148 2HG2 THR A 10 10.851 3.605 -13.145 1.00 0.00 H ATOM 149 3HG2 THR A 10 11.218 4.459 -11.634 1.00 0.00 H ATOM 150 N TRP A 11 7.034 4.060 -9.934 1.00 0.00 N ATOM 151 CA TRP A 11 5.609 3.986 -9.654 1.00 0.00 C ATOM 152 C TRP A 11 4.970 2.834 -10.430 1.00 0.00 C ATOM 153 O TRP A 11 5.176 2.715 -11.636 1.00 0.00 O ATOM 154 CB TRP A 11 4.929 5.312 -10.002 1.00 0.00 C ATOM 155 CG TRP A 11 3.457 5.334 -9.725 1.00 0.00 C ATOM 156 CD1 TRP A 11 2.481 5.192 -10.649 1.00 0.00 C ATOM 157 CD2 TRP A 11 2.773 5.441 -8.440 1.00 0.00 C ATOM 158 NE1 TRP A 11 1.246 5.215 -10.036 1.00 0.00 N ATOM 159 CE2 TRP A 11 1.369 5.355 -8.669 1.00 0.00 C ATOM 160 CE3 TRP A 11 3.195 5.605 -7.104 1.00 0.00 C ATOM 161 CZ2 TRP A 11 0.433 5.419 -7.626 1.00 0.00 C ATOM 162 CZ3 TRP A 11 2.266 5.664 -6.048 1.00 0.00 C ATOM 163 CH2 TRP A 11 0.887 5.569 -6.307 1.00 0.00 C ATOM 164 H TRP A 11 7.364 4.832 -10.493 1.00 0.00 H ATOM 165 HA TRP A 11 5.473 3.815 -8.589 1.00 0.00 H ATOM 166 1HB TRP A 11 5.394 6.110 -9.421 1.00 0.00 H ATOM 167 2HB TRP A 11 5.092 5.527 -11.059 1.00 0.00 H ATOM 168 HD1 TRP A 11 2.643 5.067 -11.710 1.00 0.00 H ATOM 169 HE1 TRP A 11 0.356 5.133 -10.506 1.00 0.00 H ATOM 170 HE3 TRP A 11 4.249 5.685 -6.890 1.00 0.00 H ATOM 171 HZ2 TRP A 11 -0.624 5.357 -7.836 1.00 0.00 H ATOM 172 HZ3 TRP A 11 2.614 5.786 -5.033 1.00 0.00 H ATOM 173 HH2 TRP A 11 0.179 5.618 -5.492 1.00 0.00 H ATOM 174 N VAL A 12 4.180 2.008 -9.732 1.00 0.00 N ATOM 175 CA VAL A 12 3.400 0.926 -10.315 1.00 0.00 C ATOM 176 C VAL A 12 1.991 1.012 -9.735 1.00 0.00 C ATOM 177 O VAL A 12 1.822 0.909 -8.522 1.00 0.00 O ATOM 178 CB VAL A 12 4.059 -0.432 -10.011 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.177 -1.598 -10.478 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.423 -0.544 -10.707 1.00 0.00 C ATOM 181 H VAL A 12 4.065 2.168 -8.738 1.00 0.00 H ATOM 182 HA VAL A 12 3.340 1.042 -11.398 1.00 0.00 H ATOM 183 HB VAL A 12 4.203 -0.525 -8.934 1.00 0.00 H ATOM 184 1HG1 VAL A 12 2.957 -1.498 -11.542 1.00 0.00 H ATOM 185 2HG1 VAL A 12 3.696 -2.542 -10.310 1.00 0.00 H ATOM 186 3HG1 VAL A 12 2.241 -1.622 -9.919 1.00 0.00 H ATOM 187 1HG2 VAL A 12 5.300 -0.448 -11.786 1.00 0.00 H ATOM 188 2HG2 VAL A 12 6.101 0.234 -10.357 1.00 0.00 H ATOM 189 3HG2 VAL A 12 5.871 -1.513 -10.486 1.00 0.00 H ATOM 190 N CYS A 13 0.994 1.215 -10.607 1.00 0.00 N ATOM 191 CA CYS A 13 -0.423 1.201 -10.273 1.00 0.00 C ATOM 192 C CYS A 13 -1.188 0.520 -11.404 1.00 0.00 C ATOM 193 O CYS A 13 -1.185 1.015 -12.529 1.00 0.00 O ATOM 194 CB CYS A 13 -0.898 2.637 -10.032 1.00 0.00 C ATOM 195 SG CYS A 13 -2.652 2.894 -9.645 1.00 0.00 S ATOM 196 H CYS A 13 1.224 1.312 -11.586 1.00 0.00 H ATOM 197 HA CYS A 13 -0.577 0.612 -9.371 1.00 0.00 H ATOM 198 1HB CYS A 13 -0.321 3.044 -9.204 1.00 0.00 H ATOM 199 2HB CYS A 13 -0.676 3.228 -10.921 1.00 0.00 H ATOM 200 N LYS A 14 -1.822 -0.619 -11.102 1.00 0.00 N ATOM 201 CA LYS A 14 -2.628 -1.386 -12.041 1.00 0.00 C ATOM 202 C LYS A 14 -3.872 -1.923 -11.322 1.00 0.00 C ATOM 203 O LYS A 14 -3.821 -2.132 -10.109 1.00 0.00 O ATOM 204 CB LYS A 14 -1.774 -2.503 -12.663 1.00 0.00 C ATOM 205 CG LYS A 14 -1.315 -3.554 -11.642 1.00 0.00 C ATOM 206 CD LYS A 14 -0.285 -4.529 -12.231 1.00 0.00 C ATOM 207 CE LYS A 14 -0.781 -5.298 -13.463 1.00 0.00 C ATOM 208 NZ LYS A 14 -2.013 -6.056 -13.186 1.00 0.00 N ATOM 209 H LYS A 14 -1.787 -0.960 -10.151 1.00 0.00 H ATOM 210 HA LYS A 14 -2.944 -0.720 -12.843 1.00 0.00 H ATOM 211 1HB LYS A 14 -2.358 -2.995 -13.440 1.00 0.00 H ATOM 212 2HB LYS A 14 -0.897 -2.050 -13.127 1.00 0.00 H ATOM 213 1HG LYS A 14 -0.850 -3.060 -10.789 1.00 0.00 H ATOM 214 2HG LYS A 14 -2.179 -4.114 -11.287 1.00 0.00 H ATOM 215 1HD LYS A 14 0.611 -3.971 -12.506 1.00 0.00 H ATOM 216 2HD LYS A 14 -0.012 -5.248 -11.457 1.00 0.00 H ATOM 217 1HE LYS A 14 -0.959 -4.610 -14.289 1.00 0.00 H ATOM 218 2HE LYS A 14 -0.005 -6.001 -13.768 1.00 0.00 H ATOM 219 1HZ LYS A 14 -1.846 -6.705 -12.430 1.00 0.00 H ATOM 220 2HZ LYS A 14 -2.752 -5.419 -12.927 1.00 0.00 H ATOM 221 3HZ LYS A 14 -2.286 -6.567 -14.013 1.00 0.00 H ATOM 222 N PRO A 15 -4.990 -2.150 -12.035 1.00 0.00 N ATOM 223 CA PRO A 15 -6.238 -2.607 -11.442 1.00 0.00 C ATOM 224 C PRO A 15 -6.215 -4.128 -11.226 1.00 0.00 C ATOM 225 O PRO A 15 -7.020 -4.859 -11.801 1.00 0.00 O ATOM 226 CB PRO A 15 -7.322 -2.159 -12.427 1.00 0.00 C ATOM 227 CG PRO A 15 -6.613 -2.284 -13.774 1.00 0.00 C ATOM 228 CD PRO A 15 -5.190 -1.832 -13.442 1.00 0.00 C ATOM 229 HA PRO A 15 -6.405 -2.109 -10.489 1.00 0.00 H ATOM 230 1HB PRO A 15 -8.240 -2.747 -12.375 1.00 0.00 H ATOM 231 2HB PRO A 15 -7.554 -1.108 -12.247 1.00 0.00 H ATOM 232 1HG PRO A 15 -6.603 -3.329 -14.088 1.00 0.00 H ATOM 233 2HG PRO A 15 -7.074 -1.665 -14.544 1.00 0.00 H ATOM 234 1HD PRO A 15 -4.474 -2.342 -14.086 1.00 0.00 H ATOM 235 2HD PRO A 15 -5.122 -0.753 -13.583 1.00 0.00 H ATOM 236 N GLN A 16 -5.296 -4.604 -10.377 1.00 0.00 N ATOM 237 CA GLN A 16 -5.145 -6.016 -10.046 1.00 0.00 C ATOM 238 C GLN A 16 -6.175 -6.426 -8.986 1.00 0.00 C ATOM 239 O GLN A 16 -5.848 -6.662 -7.825 1.00 0.00 O ATOM 240 CB GLN A 16 -3.693 -6.335 -9.650 1.00 0.00 C ATOM 241 CG GLN A 16 -3.098 -5.367 -8.621 1.00 0.00 C ATOM 242 CD GLN A 16 -1.773 -5.879 -8.069 1.00 0.00 C ATOM 243 OE1 GLN A 16 -0.773 -5.910 -8.782 1.00 0.00 O ATOM 244 NE2 GLN A 16 -1.759 -6.274 -6.795 1.00 0.00 N ATOM 245 H GLN A 16 -4.680 -3.940 -9.927 1.00 0.00 H ATOM 246 HA GLN A 16 -5.348 -6.613 -10.938 1.00 0.00 H ATOM 247 1HB GLN A 16 -3.656 -7.351 -9.253 1.00 0.00 H ATOM 248 2HB GLN A 16 -3.071 -6.303 -10.544 1.00 0.00 H ATOM 249 1HG GLN A 16 -2.918 -4.394 -9.074 1.00 0.00 H ATOM 250 2HG GLN A 16 -3.802 -5.241 -7.807 1.00 0.00 H ATOM 251 1HE2 GLN A 16 -2.599 -6.198 -6.235 1.00 0.00 H ATOM 252 2HE2 GLN A 16 -0.905 -6.629 -6.389 1.00 0.00 H HETATM 253 N NH2 A 17 -7.441 -6.518 -9.396 1.00 0.00 N HETATM 254 1HN NH2 A 17 -8.164 -6.794 -8.747 1.00 0.00 H HETATM 255 2HN NH2 A 17 -7.669 -6.288 -10.354 1.00 0.00 H TER 256 NH2 A 17 ENDMDL MODEL 18 ATOM 1 N THR A 1 -7.995 -3.709 -5.094 1.00 0.00 N ATOM 2 CA THR A 1 -8.530 -2.544 -5.822 1.00 0.00 C ATOM 3 C THR A 1 -7.402 -1.744 -6.490 1.00 0.00 C ATOM 4 O THR A 1 -6.329 -2.290 -6.741 1.00 0.00 O ATOM 5 CB THR A 1 -9.450 -1.707 -4.910 1.00 0.00 C ATOM 6 OG1 THR A 1 -10.171 -0.753 -5.664 1.00 0.00 O ATOM 7 CG2 THR A 1 -8.703 -1.014 -3.763 1.00 0.00 C ATOM 8 1H THR A 1 -8.755 -4.262 -4.725 1.00 0.00 H ATOM 9 2H THR A 1 -7.445 -4.269 -5.730 1.00 0.00 H ATOM 10 3H THR A 1 -7.406 -3.393 -4.337 1.00 0.00 H ATOM 11 HA THR A 1 -9.156 -2.947 -6.616 1.00 0.00 H ATOM 12 HB THR A 1 -10.190 -2.377 -4.472 1.00 0.00 H ATOM 13 HG1 THR A 1 -10.767 -0.283 -5.075 1.00 0.00 H ATOM 14 1HG2 THR A 1 -9.420 -0.486 -3.134 1.00 0.00 H ATOM 15 2HG2 THR A 1 -8.184 -1.752 -3.152 1.00 0.00 H ATOM 16 3HG2 THR A 1 -7.979 -0.294 -4.144 1.00 0.00 H ATOM 17 N TYR A 2 -7.646 -0.463 -6.792 1.00 0.00 N ATOM 18 CA TYR A 2 -6.688 0.443 -7.409 1.00 0.00 C ATOM 19 C TYR A 2 -5.574 0.782 -6.414 1.00 0.00 C ATOM 20 O TYR A 2 -5.596 1.836 -5.780 1.00 0.00 O ATOM 21 CB TYR A 2 -7.418 1.704 -7.888 1.00 0.00 C ATOM 22 CG TYR A 2 -8.520 1.440 -8.896 1.00 0.00 C ATOM 23 CD1 TYR A 2 -8.209 1.320 -10.262 1.00 0.00 C ATOM 24 CD2 TYR A 2 -9.857 1.321 -8.470 1.00 0.00 C ATOM 25 CE1 TYR A 2 -9.229 1.084 -11.200 1.00 0.00 C ATOM 26 CE2 TYR A 2 -10.879 1.105 -9.410 1.00 0.00 C ATOM 27 CZ TYR A 2 -10.564 0.969 -10.773 1.00 0.00 C ATOM 28 OH TYR A 2 -11.548 0.714 -11.683 1.00 0.00 O ATOM 29 H TYR A 2 -8.556 -0.090 -6.558 1.00 0.00 H ATOM 30 HA TYR A 2 -6.247 -0.041 -8.282 1.00 0.00 H ATOM 31 1HB TYR A 2 -7.852 2.216 -7.027 1.00 0.00 H ATOM 32 2HB TYR A 2 -6.688 2.376 -8.341 1.00 0.00 H ATOM 33 HD1 TYR A 2 -7.185 1.411 -10.594 1.00 0.00 H ATOM 34 HD2 TYR A 2 -10.104 1.388 -7.420 1.00 0.00 H ATOM 35 HE1 TYR A 2 -8.987 0.987 -12.248 1.00 0.00 H ATOM 36 HE2 TYR A 2 -11.904 1.025 -9.078 1.00 0.00 H ATOM 37 HH TYR A 2 -12.412 0.596 -11.283 1.00 0.00 H ATOM 38 N SER A 3 -4.596 -0.120 -6.285 1.00 0.00 N ATOM 39 CA SER A 3 -3.528 -0.034 -5.304 1.00 0.00 C ATOM 40 C SER A 3 -2.288 0.535 -5.987 1.00 0.00 C ATOM 41 O SER A 3 -1.490 -0.207 -6.561 1.00 0.00 O ATOM 42 CB SER A 3 -3.280 -1.426 -4.710 1.00 0.00 C ATOM 43 OG SER A 3 -3.028 -2.368 -5.730 1.00 0.00 O ATOM 44 H SER A 3 -4.663 -0.979 -6.816 1.00 0.00 H ATOM 45 HA SER A 3 -3.815 0.619 -4.478 1.00 0.00 H ATOM 46 1HB SER A 3 -2.426 -1.388 -4.031 1.00 0.00 H ATOM 47 2HB SER A 3 -4.161 -1.744 -4.151 1.00 0.00 H ATOM 48 HG SER A 3 -2.286 -2.049 -6.253 1.00 0.00 H ATOM 49 N CYS A 4 -2.146 1.863 -5.925 1.00 0.00 N ATOM 50 CA CYS A 4 -1.084 2.599 -6.590 1.00 0.00 C ATOM 51 C CYS A 4 0.011 2.899 -5.569 1.00 0.00 C ATOM 52 O CYS A 4 -0.250 3.537 -4.550 1.00 0.00 O ATOM 53 CB CYS A 4 -1.647 3.884 -7.211 1.00 0.00 C ATOM 54 SG CYS A 4 -3.040 3.722 -8.371 1.00 0.00 S ATOM 55 H CYS A 4 -2.845 2.402 -5.434 1.00 0.00 H ATOM 56 HA CYS A 4 -0.656 1.997 -7.391 1.00 0.00 H ATOM 57 1HB CYS A 4 -1.959 4.565 -6.418 1.00 0.00 H ATOM 58 2HB CYS A 4 -0.835 4.356 -7.761 1.00 0.00 H ATOM 59 N HIS A 5 1.220 2.390 -5.830 1.00 0.00 N ATOM 60 CA HIS A 5 2.337 2.383 -4.895 1.00 0.00 C ATOM 61 C HIS A 5 3.644 2.686 -5.626 1.00 0.00 C ATOM 62 O HIS A 5 3.669 2.766 -6.852 1.00 0.00 O ATOM 63 CB HIS A 5 2.406 1.005 -4.222 1.00 0.00 C ATOM 64 CG HIS A 5 2.755 -0.101 -5.188 1.00 0.00 C ATOM 65 ND1 HIS A 5 4.080 -0.473 -5.420 1.00 0.00 N ATOM 66 CD2 HIS A 5 1.938 -0.840 -6.002 1.00 0.00 C ATOM 67 CE1 HIS A 5 4.009 -1.413 -6.367 1.00 0.00 C ATOM 68 NE2 HIS A 5 2.748 -1.667 -6.751 1.00 0.00 N ATOM 69 H HIS A 5 1.366 1.909 -6.709 1.00 0.00 H ATOM 70 HA HIS A 5 2.192 3.144 -4.127 1.00 0.00 H ATOM 71 1HB HIS A 5 3.156 1.027 -3.431 1.00 0.00 H ATOM 72 2HB HIS A 5 1.442 0.782 -3.763 1.00 0.00 H ATOM 73 HD2 HIS A 5 0.863 -0.761 -6.072 1.00 0.00 H ATOM 74 HE1 HIS A 5 4.873 -1.911 -6.781 1.00 0.00 H ATOM 75 HE2 HIS A 5 2.444 -2.327 -7.454 1.00 0.00 H ATOM 76 N PHE A 6 4.734 2.808 -4.858 1.00 0.00 N ATOM 77 CA PHE A 6 6.092 2.891 -5.370 1.00 0.00 C ATOM 78 C PHE A 6 6.801 1.564 -5.107 1.00 0.00 C ATOM 79 O PHE A 6 7.048 1.214 -3.954 1.00 0.00 O ATOM 80 CB PHE A 6 6.833 4.054 -4.704 1.00 0.00 C ATOM 81 CG PHE A 6 8.212 4.299 -5.284 1.00 0.00 C ATOM 82 CD1 PHE A 6 8.345 4.906 -6.547 1.00 0.00 C ATOM 83 CD2 PHE A 6 9.361 3.901 -4.575 1.00 0.00 C ATOM 84 CE1 PHE A 6 9.623 5.148 -7.081 1.00 0.00 C ATOM 85 CE2 PHE A 6 10.637 4.156 -5.104 1.00 0.00 C ATOM 86 CZ PHE A 6 10.769 4.787 -6.353 1.00 0.00 C ATOM 87 H PHE A 6 4.628 2.721 -3.858 1.00 0.00 H ATOM 88 HA PHE A 6 6.080 3.083 -6.441 1.00 0.00 H ATOM 89 1HB PHE A 6 6.249 4.965 -4.830 1.00 0.00 H ATOM 90 2HB PHE A 6 6.912 3.865 -3.632 1.00 0.00 H ATOM 91 HD1 PHE A 6 7.469 5.196 -7.106 1.00 0.00 H ATOM 92 HD2 PHE A 6 9.269 3.407 -3.618 1.00 0.00 H ATOM 93 HE1 PHE A 6 9.724 5.620 -8.048 1.00 0.00 H ATOM 94 HE2 PHE A 6 11.517 3.870 -4.546 1.00 0.00 H ATOM 95 HZ PHE A 6 11.751 4.989 -6.756 1.00 0.00 H ATOM 96 N GLY A 7 7.130 0.830 -6.174 1.00 0.00 N ATOM 97 CA GLY A 7 7.851 -0.427 -6.087 1.00 0.00 C ATOM 98 C GLY A 7 8.092 -0.983 -7.493 1.00 0.00 C ATOM 99 O GLY A 7 7.198 -0.884 -8.332 1.00 0.00 O ATOM 100 H GLY A 7 6.898 1.168 -7.099 1.00 0.00 H ATOM 101 1HA GLY A 7 8.777 -0.242 -5.548 1.00 0.00 H ATOM 102 2HA GLY A 7 7.255 -1.147 -5.524 1.00 0.00 H ATOM 103 N PRO A 8 9.264 -1.578 -7.780 1.00 0.00 N ATOM 104 CA PRO A 8 10.400 -1.749 -6.883 1.00 0.00 C ATOM 105 C PRO A 8 11.150 -0.428 -6.681 1.00 0.00 C ATOM 106 O PRO A 8 11.492 -0.086 -5.551 1.00 0.00 O ATOM 107 CB PRO A 8 11.283 -2.809 -7.547 1.00 0.00 C ATOM 108 CG PRO A 8 10.990 -2.649 -9.039 1.00 0.00 C ATOM 109 CD PRO A 8 9.523 -2.217 -9.061 1.00 0.00 C ATOM 110 HA PRO A 8 10.072 -2.133 -5.915 1.00 0.00 H ATOM 111 1HB PRO A 8 12.342 -2.684 -7.317 1.00 0.00 H ATOM 112 2HB PRO A 8 10.950 -3.798 -7.230 1.00 0.00 H ATOM 113 1HG PRO A 8 11.617 -1.861 -9.457 1.00 0.00 H ATOM 114 2HG PRO A 8 11.151 -3.577 -9.589 1.00 0.00 H ATOM 115 1HD PRO A 8 9.338 -1.538 -9.894 1.00 0.00 H ATOM 116 2HD PRO A 8 8.884 -3.096 -9.154 1.00 0.00 H ATOM 117 N LEU A 9 11.385 0.315 -7.770 1.00 0.00 N ATOM 118 CA LEU A 9 11.969 1.652 -7.743 1.00 0.00 C ATOM 119 C LEU A 9 11.262 2.547 -8.772 1.00 0.00 C ATOM 120 O LEU A 9 11.850 3.493 -9.291 1.00 0.00 O ATOM 121 CB LEU A 9 13.483 1.534 -8.000 1.00 0.00 C ATOM 122 CG LEU A 9 14.303 2.734 -7.493 1.00 0.00 C ATOM 123 CD1 LEU A 9 14.465 2.698 -5.967 1.00 0.00 C ATOM 124 CD2 LEU A 9 15.693 2.706 -8.138 1.00 0.00 C ATOM 125 H LEU A 9 11.082 -0.035 -8.667 1.00 0.00 H ATOM 126 HA LEU A 9 11.796 2.089 -6.762 1.00 0.00 H ATOM 127 1HB LEU A 9 13.865 0.640 -7.506 1.00 0.00 H ATOM 128 2HB LEU A 9 13.636 1.410 -9.073 1.00 0.00 H ATOM 129 HG LEU A 9 13.823 3.671 -7.772 1.00 0.00 H ATOM 130 1HD1 LEU A 9 14.967 1.779 -5.664 1.00 0.00 H ATOM 131 2HD1 LEU A 9 15.062 3.551 -5.643 1.00 0.00 H ATOM 132 3HD1 LEU A 9 13.496 2.751 -5.475 1.00 0.00 H ATOM 133 1HD2 LEU A 9 16.205 1.777 -7.885 1.00 0.00 H ATOM 134 2HD2 LEU A 9 15.600 2.780 -9.222 1.00 0.00 H ATOM 135 3HD2 LEU A 9 16.284 3.550 -7.780 1.00 0.00 H ATOM 136 N THR A 10 9.999 2.229 -9.083 1.00 0.00 N ATOM 137 CA THR A 10 9.160 2.935 -10.041 1.00 0.00 C ATOM 138 C THR A 10 7.742 2.999 -9.480 1.00 0.00 C ATOM 139 O THR A 10 7.351 2.123 -8.711 1.00 0.00 O ATOM 140 CB THR A 10 9.168 2.191 -11.386 1.00 0.00 C ATOM 141 OG1 THR A 10 8.853 0.826 -11.191 1.00 0.00 O ATOM 142 CG2 THR A 10 10.526 2.290 -12.086 1.00 0.00 C ATOM 143 H THR A 10 9.559 1.456 -8.605 1.00 0.00 H ATOM 144 HA THR A 10 9.519 3.955 -10.186 1.00 0.00 H ATOM 145 HB THR A 10 8.415 2.636 -12.040 1.00 0.00 H ATOM 146 HG1 THR A 10 8.038 0.764 -10.687 1.00 0.00 H ATOM 147 1HG2 THR A 10 11.294 1.777 -11.508 1.00 0.00 H ATOM 148 2HG2 THR A 10 10.460 1.825 -13.070 1.00 0.00 H ATOM 149 3HG2 THR A 10 10.805 3.337 -12.209 1.00 0.00 H ATOM 150 N TRP A 11 6.954 4.001 -9.889 1.00 0.00 N ATOM 151 CA TRP A 11 5.544 4.049 -9.534 1.00 0.00 C ATOM 152 C TRP A 11 4.778 3.014 -10.359 1.00 0.00 C ATOM 153 O TRP A 11 4.916 2.982 -11.581 1.00 0.00 O ATOM 154 CB TRP A 11 4.972 5.453 -9.732 1.00 0.00 C ATOM 155 CG TRP A 11 3.611 5.622 -9.130 1.00 0.00 C ATOM 156 CD1 TRP A 11 2.434 5.531 -9.788 1.00 0.00 C ATOM 157 CD2 TRP A 11 3.267 5.826 -7.729 1.00 0.00 C ATOM 158 NE1 TRP A 11 1.388 5.677 -8.900 1.00 0.00 N ATOM 159 CE2 TRP A 11 1.847 5.851 -7.610 1.00 0.00 C ATOM 160 CE3 TRP A 11 4.014 5.988 -6.542 1.00 0.00 C ATOM 161 CZ2 TRP A 11 1.203 6.029 -6.375 1.00 0.00 C ATOM 162 CZ3 TRP A 11 3.378 6.141 -5.296 1.00 0.00 C ATOM 163 CH2 TRP A 11 1.976 6.159 -5.211 1.00 0.00 C ATOM 164 H TRP A 11 7.311 4.694 -10.530 1.00 0.00 H ATOM 165 HA TRP A 11 5.451 3.816 -8.475 1.00 0.00 H ATOM 166 1HB TRP A 11 5.637 6.171 -9.250 1.00 0.00 H ATOM 167 2HB TRP A 11 4.935 5.688 -10.797 1.00 0.00 H ATOM 168 HD1 TRP A 11 2.326 5.352 -10.848 1.00 0.00 H ATOM 169 HE1 TRP A 11 0.407 5.654 -9.141 1.00 0.00 H ATOM 170 HE3 TRP A 11 5.091 5.990 -6.597 1.00 0.00 H ATOM 171 HZ2 TRP A 11 0.126 6.064 -6.317 1.00 0.00 H ATOM 172 HZ3 TRP A 11 3.971 6.250 -4.400 1.00 0.00 H ATOM 173 HH2 TRP A 11 1.492 6.278 -4.252 1.00 0.00 H ATOM 174 N VAL A 12 3.997 2.160 -9.687 1.00 0.00 N ATOM 175 CA VAL A 12 3.248 1.070 -10.299 1.00 0.00 C ATOM 176 C VAL A 12 1.845 1.033 -9.695 1.00 0.00 C ATOM 177 O VAL A 12 1.686 1.127 -8.478 1.00 0.00 O ATOM 178 CB VAL A 12 3.992 -0.263 -10.089 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.157 -1.461 -10.564 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.324 -0.269 -10.852 1.00 0.00 C ATOM 181 H VAL A 12 3.921 2.258 -8.683 1.00 0.00 H ATOM 182 HA VAL A 12 3.150 1.244 -11.372 1.00 0.00 H ATOM 183 HB VAL A 12 4.203 -0.391 -9.027 1.00 0.00 H ATOM 184 1HG1 VAL A 12 2.871 -1.326 -11.607 1.00 0.00 H ATOM 185 2HG1 VAL A 12 3.743 -2.376 -10.471 1.00 0.00 H ATOM 186 3HG1 VAL A 12 2.260 -1.572 -9.955 1.00 0.00 H ATOM 187 1HG2 VAL A 12 5.149 -0.097 -11.914 1.00 0.00 H ATOM 188 2HG2 VAL A 12 5.982 0.507 -10.467 1.00 0.00 H ATOM 189 3HG2 VAL A 12 5.819 -1.232 -10.726 1.00 0.00 H ATOM 190 N CYS A 13 0.834 0.882 -10.559 1.00 0.00 N ATOM 191 CA CYS A 13 -0.547 0.626 -10.179 1.00 0.00 C ATOM 192 C CYS A 13 -1.154 -0.382 -11.156 1.00 0.00 C ATOM 193 O CYS A 13 -0.621 -0.577 -12.248 1.00 0.00 O ATOM 194 CB CYS A 13 -1.329 1.944 -10.148 1.00 0.00 C ATOM 195 SG CYS A 13 -2.857 1.859 -9.178 1.00 0.00 S ATOM 196 H CYS A 13 1.045 0.807 -11.544 1.00 0.00 H ATOM 197 HA CYS A 13 -0.563 0.182 -9.183 1.00 0.00 H ATOM 198 1HB CYS A 13 -0.694 2.700 -9.686 1.00 0.00 H ATOM 199 2HB CYS A 13 -1.559 2.273 -11.163 1.00 0.00 H ATOM 200 N LYS A 14 -2.266 -1.015 -10.763 1.00 0.00 N ATOM 201 CA LYS A 14 -3.019 -1.943 -11.595 1.00 0.00 C ATOM 202 C LYS A 14 -4.526 -1.728 -11.388 1.00 0.00 C ATOM 203 O LYS A 14 -4.937 -1.318 -10.302 1.00 0.00 O ATOM 204 CB LYS A 14 -2.570 -3.398 -11.353 1.00 0.00 C ATOM 205 CG LYS A 14 -2.086 -3.752 -9.936 1.00 0.00 C ATOM 206 CD LYS A 14 -3.108 -3.567 -8.806 1.00 0.00 C ATOM 207 CE LYS A 14 -4.395 -4.377 -8.989 1.00 0.00 C ATOM 208 NZ LYS A 14 -4.143 -5.827 -8.993 1.00 0.00 N ATOM 209 H LYS A 14 -2.648 -0.810 -9.852 1.00 0.00 H ATOM 210 HA LYS A 14 -2.794 -1.709 -12.634 1.00 0.00 H ATOM 211 1HB LYS A 14 -3.362 -4.083 -11.656 1.00 0.00 H ATOM 212 2HB LYS A 14 -1.721 -3.580 -12.013 1.00 0.00 H ATOM 213 1HG LYS A 14 -1.769 -4.796 -9.946 1.00 0.00 H ATOM 214 2HG LYS A 14 -1.204 -3.155 -9.700 1.00 0.00 H ATOM 215 1HD LYS A 14 -2.638 -3.886 -7.875 1.00 0.00 H ATOM 216 2HD LYS A 14 -3.362 -2.514 -8.702 1.00 0.00 H ATOM 217 1HE LYS A 14 -5.064 -4.153 -8.159 1.00 0.00 H ATOM 218 2HE LYS A 14 -4.890 -4.103 -9.918 1.00 0.00 H ATOM 219 1HZ LYS A 14 -3.682 -6.093 -8.135 1.00 0.00 H ATOM 220 2HZ LYS A 14 -5.027 -6.312 -9.064 1.00 0.00 H ATOM 221 3HZ LYS A 14 -3.560 -6.070 -9.781 1.00 0.00 H ATOM 222 N PRO A 15 -5.359 -1.964 -12.419 1.00 0.00 N ATOM 223 CA PRO A 15 -6.785 -1.666 -12.391 1.00 0.00 C ATOM 224 C PRO A 15 -7.569 -2.789 -11.703 1.00 0.00 C ATOM 225 O PRO A 15 -8.363 -3.478 -12.342 1.00 0.00 O ATOM 226 CB PRO A 15 -7.172 -1.491 -13.863 1.00 0.00 C ATOM 227 CG PRO A 15 -6.259 -2.498 -14.562 1.00 0.00 C ATOM 228 CD PRO A 15 -4.963 -2.370 -13.761 1.00 0.00 C ATOM 229 HA PRO A 15 -6.973 -0.729 -11.866 1.00 0.00 H ATOM 230 1HB PRO A 15 -8.229 -1.663 -14.067 1.00 0.00 H ATOM 231 2HB PRO A 15 -6.898 -0.486 -14.187 1.00 0.00 H ATOM 232 1HG PRO A 15 -6.664 -3.505 -14.450 1.00 0.00 H ATOM 233 2HG PRO A 15 -6.117 -2.265 -15.618 1.00 0.00 H ATOM 234 1HD PRO A 15 -4.420 -3.316 -13.758 1.00 0.00 H ATOM 235 2HD PRO A 15 -4.356 -1.587 -14.216 1.00 0.00 H ATOM 236 N GLN A 16 -7.356 -2.949 -10.391 1.00 0.00 N ATOM 237 CA GLN A 16 -8.051 -3.886 -9.511 1.00 0.00 C ATOM 238 C GLN A 16 -7.635 -5.343 -9.744 1.00 0.00 C ATOM 239 O GLN A 16 -7.135 -5.996 -8.831 1.00 0.00 O ATOM 240 CB GLN A 16 -9.577 -3.702 -9.548 1.00 0.00 C ATOM 241 CG GLN A 16 -9.984 -2.227 -9.438 1.00 0.00 C ATOM 242 CD GLN A 16 -11.473 -2.080 -9.143 1.00 0.00 C ATOM 243 OE1 GLN A 16 -12.299 -2.193 -10.045 1.00 0.00 O ATOM 244 NE2 GLN A 16 -11.823 -1.812 -7.883 1.00 0.00 N ATOM 245 H GLN A 16 -6.670 -2.344 -9.957 1.00 0.00 H ATOM 246 HA GLN A 16 -7.734 -3.637 -8.501 1.00 0.00 H ATOM 247 1HB GLN A 16 -9.998 -4.116 -10.465 1.00 0.00 H ATOM 248 2HB GLN A 16 -10.000 -4.251 -8.705 1.00 0.00 H ATOM 249 1HG GLN A 16 -9.408 -1.738 -8.654 1.00 0.00 H ATOM 250 2HG GLN A 16 -9.772 -1.728 -10.382 1.00 0.00 H ATOM 251 1HE2 GLN A 16 -11.117 -1.684 -7.170 1.00 0.00 H ATOM 252 2HE2 GLN A 16 -12.800 -1.709 -7.652 1.00 0.00 H HETATM 253 N NH2 A 17 -7.842 -5.869 -10.952 1.00 0.00 N HETATM 254 1HN NH2 A 17 -7.585 -6.827 -11.137 1.00 0.00 H HETATM 255 2HN NH2 A 17 -8.249 -5.296 -11.681 1.00 0.00 H TER 256 NH2 A 17 ENDMDL MODEL 19 ATOM 1 N THR A 1 -4.992 -3.514 -10.033 1.00 0.00 N ATOM 2 CA THR A 1 -5.806 -2.838 -9.007 1.00 0.00 C ATOM 3 C THR A 1 -5.346 -1.396 -8.780 1.00 0.00 C ATOM 4 O THR A 1 -4.328 -0.972 -9.330 1.00 0.00 O ATOM 5 CB THR A 1 -5.795 -3.633 -7.690 1.00 0.00 C ATOM 6 OG1 THR A 1 -4.470 -3.749 -7.212 1.00 0.00 O ATOM 7 CG2 THR A 1 -6.399 -5.031 -7.866 1.00 0.00 C ATOM 8 1H THR A 1 -5.001 -2.958 -10.878 1.00 0.00 H ATOM 9 2H THR A 1 -4.044 -3.598 -9.696 1.00 0.00 H ATOM 10 3H THR A 1 -5.369 -4.430 -10.226 1.00 0.00 H ATOM 11 HA THR A 1 -6.826 -2.800 -9.380 1.00 0.00 H ATOM 12 HB THR A 1 -6.389 -3.109 -6.940 1.00 0.00 H ATOM 13 HG1 THR A 1 -4.482 -4.249 -6.392 1.00 0.00 H ATOM 14 1HG2 THR A 1 -5.788 -5.634 -8.537 1.00 0.00 H ATOM 15 2HG2 THR A 1 -6.450 -5.528 -6.897 1.00 0.00 H ATOM 16 3HG2 THR A 1 -7.408 -4.948 -8.272 1.00 0.00 H ATOM 17 N TYR A 2 -6.070 -0.656 -7.929 1.00 0.00 N ATOM 18 CA TYR A 2 -5.683 0.682 -7.489 1.00 0.00 C ATOM 19 C TYR A 2 -4.571 0.617 -6.429 1.00 0.00 C ATOM 20 O TYR A 2 -4.633 1.315 -5.418 1.00 0.00 O ATOM 21 CB TYR A 2 -6.916 1.422 -6.944 1.00 0.00 C ATOM 22 CG TYR A 2 -8.114 1.484 -7.873 1.00 0.00 C ATOM 23 CD1 TYR A 2 -7.986 2.039 -9.160 1.00 0.00 C ATOM 24 CD2 TYR A 2 -9.380 1.072 -7.415 1.00 0.00 C ATOM 25 CE1 TYR A 2 -9.106 2.130 -10.005 1.00 0.00 C ATOM 26 CE2 TYR A 2 -10.507 1.199 -8.245 1.00 0.00 C ATOM 27 CZ TYR A 2 -10.367 1.706 -9.548 1.00 0.00 C ATOM 28 OH TYR A 2 -11.454 1.770 -10.368 1.00 0.00 O ATOM 29 H TYR A 2 -6.909 -1.055 -7.530 1.00 0.00 H ATOM 30 HA TYR A 2 -5.299 1.242 -8.343 1.00 0.00 H ATOM 31 1HB TYR A 2 -7.217 0.937 -6.014 1.00 0.00 H ATOM 32 2HB TYR A 2 -6.630 2.449 -6.709 1.00 0.00 H ATOM 33 HD1 TYR A 2 -7.031 2.410 -9.500 1.00 0.00 H ATOM 34 HD2 TYR A 2 -9.497 0.663 -6.422 1.00 0.00 H ATOM 35 HE1 TYR A 2 -8.997 2.536 -11.000 1.00 0.00 H ATOM 36 HE2 TYR A 2 -11.477 0.883 -7.889 1.00 0.00 H ATOM 37 HH TYR A 2 -11.215 1.894 -11.292 1.00 0.00 H ATOM 38 N SER A 3 -3.541 -0.204 -6.669 1.00 0.00 N ATOM 39 CA SER A 3 -2.375 -0.348 -5.815 1.00 0.00 C ATOM 40 C SER A 3 -1.262 0.485 -6.438 1.00 0.00 C ATOM 41 O SER A 3 -0.416 -0.049 -7.152 1.00 0.00 O ATOM 42 CB SER A 3 -1.995 -1.831 -5.715 1.00 0.00 C ATOM 43 OG SER A 3 -0.828 -1.993 -4.935 1.00 0.00 O ATOM 44 H SER A 3 -3.525 -0.711 -7.542 1.00 0.00 H ATOM 45 HA SER A 3 -2.578 0.015 -4.806 1.00 0.00 H ATOM 46 1HB SER A 3 -2.810 -2.379 -5.242 1.00 0.00 H ATOM 47 2HB SER A 3 -1.823 -2.247 -6.709 1.00 0.00 H ATOM 48 HG SER A 3 -0.088 -1.574 -5.388 1.00 0.00 H ATOM 49 N CYS A 4 -1.276 1.796 -6.174 1.00 0.00 N ATOM 50 CA CYS A 4 -0.351 2.736 -6.787 1.00 0.00 C ATOM 51 C CYS A 4 0.780 2.998 -5.798 1.00 0.00 C ATOM 52 O CYS A 4 0.863 4.066 -5.194 1.00 0.00 O ATOM 53 CB CYS A 4 -1.086 4.023 -7.194 1.00 0.00 C ATOM 54 SG CYS A 4 -2.441 3.910 -8.409 1.00 0.00 S ATOM 55 H CYS A 4 -2.002 2.167 -5.578 1.00 0.00 H ATOM 56 HA CYS A 4 0.100 2.309 -7.680 1.00 0.00 H ATOM 57 1HB CYS A 4 -1.495 4.499 -6.301 1.00 0.00 H ATOM 58 2HB CYS A 4 -0.344 4.699 -7.620 1.00 0.00 H ATOM 59 N HIS A 5 1.643 1.988 -5.640 1.00 0.00 N ATOM 60 CA HIS A 5 2.768 1.983 -4.717 1.00 0.00 C ATOM 61 C HIS A 5 4.063 2.301 -5.466 1.00 0.00 C ATOM 62 O HIS A 5 4.234 1.904 -6.619 1.00 0.00 O ATOM 63 CB HIS A 5 2.854 0.612 -4.034 1.00 0.00 C ATOM 64 CG HIS A 5 3.044 -0.525 -5.006 1.00 0.00 C ATOM 65 ND1 HIS A 5 1.968 -1.073 -5.702 1.00 0.00 N ATOM 66 CD2 HIS A 5 4.198 -1.137 -5.417 1.00 0.00 C ATOM 67 CE1 HIS A 5 2.516 -1.971 -6.525 1.00 0.00 C ATOM 68 NE2 HIS A 5 3.851 -2.049 -6.392 1.00 0.00 N ATOM 69 H HIS A 5 1.498 1.149 -6.188 1.00 0.00 H ATOM 70 HA HIS A 5 2.610 2.732 -3.940 1.00 0.00 H ATOM 71 1HB HIS A 5 3.688 0.617 -3.331 1.00 0.00 H ATOM 72 2HB HIS A 5 1.936 0.439 -3.471 1.00 0.00 H ATOM 73 HD2 HIS A 5 5.196 -0.914 -5.075 1.00 0.00 H ATOM 74 HE1 HIS A 5 1.947 -2.570 -7.221 1.00 0.00 H ATOM 75 HE2 HIS A 5 4.484 -2.642 -6.909 1.00 0.00 H ATOM 76 N PHE A 6 4.983 3.001 -4.791 1.00 0.00 N ATOM 77 CA PHE A 6 6.292 3.335 -5.330 1.00 0.00 C ATOM 78 C PHE A 6 7.258 2.181 -5.070 1.00 0.00 C ATOM 79 O PHE A 6 8.095 2.249 -4.171 1.00 0.00 O ATOM 80 CB PHE A 6 6.782 4.659 -4.729 1.00 0.00 C ATOM 81 CG PHE A 6 7.980 5.255 -5.442 1.00 0.00 C ATOM 82 CD1 PHE A 6 7.853 5.666 -6.780 1.00 0.00 C ATOM 83 CD2 PHE A 6 9.204 5.437 -4.771 1.00 0.00 C ATOM 84 CE1 PHE A 6 8.923 6.291 -7.437 1.00 0.00 C ATOM 85 CE2 PHE A 6 10.282 6.053 -5.431 1.00 0.00 C ATOM 86 CZ PHE A 6 10.139 6.491 -6.760 1.00 0.00 C ATOM 87 H PHE A 6 4.779 3.290 -3.845 1.00 0.00 H ATOM 88 HA PHE A 6 6.203 3.475 -6.406 1.00 0.00 H ATOM 89 1HB PHE A 6 5.978 5.388 -4.804 1.00 0.00 H ATOM 90 2HB PHE A 6 6.999 4.524 -3.668 1.00 0.00 H ATOM 91 HD1 PHE A 6 6.929 5.502 -7.308 1.00 0.00 H ATOM 92 HD2 PHE A 6 9.321 5.107 -3.749 1.00 0.00 H ATOM 93 HE1 PHE A 6 8.808 6.604 -8.464 1.00 0.00 H ATOM 94 HE2 PHE A 6 11.222 6.190 -4.917 1.00 0.00 H ATOM 95 HZ PHE A 6 10.968 6.963 -7.266 1.00 0.00 H ATOM 96 N GLY A 7 7.125 1.110 -5.857 1.00 0.00 N ATOM 97 CA GLY A 7 7.963 -0.071 -5.756 1.00 0.00 C ATOM 98 C GLY A 7 7.772 -0.941 -7.000 1.00 0.00 C ATOM 99 O GLY A 7 6.704 -0.893 -7.608 1.00 0.00 O ATOM 100 H GLY A 7 6.421 1.121 -6.585 1.00 0.00 H ATOM 101 1HA GLY A 7 8.995 0.257 -5.653 1.00 0.00 H ATOM 102 2HA GLY A 7 7.683 -0.643 -4.871 1.00 0.00 H ATOM 103 N PRO A 8 8.779 -1.737 -7.399 1.00 0.00 N ATOM 104 CA PRO A 8 10.062 -1.918 -6.731 1.00 0.00 C ATOM 105 C PRO A 8 11.011 -0.729 -6.936 1.00 0.00 C ATOM 106 O PRO A 8 12.004 -0.621 -6.220 1.00 0.00 O ATOM 107 CB PRO A 8 10.646 -3.193 -7.344 1.00 0.00 C ATOM 108 CG PRO A 8 10.098 -3.166 -8.770 1.00 0.00 C ATOM 109 CD PRO A 8 8.698 -2.583 -8.578 1.00 0.00 C ATOM 110 HA PRO A 8 9.918 -2.075 -5.661 1.00 0.00 H ATOM 111 1HB PRO A 8 11.736 -3.221 -7.318 1.00 0.00 H ATOM 112 2HB PRO A 8 10.239 -4.062 -6.823 1.00 0.00 H ATOM 113 1HG PRO A 8 10.699 -2.486 -9.376 1.00 0.00 H ATOM 114 2HG PRO A 8 10.076 -4.157 -9.225 1.00 0.00 H ATOM 115 1HD PRO A 8 8.403 -2.014 -9.460 1.00 0.00 H ATOM 116 2HD PRO A 8 7.983 -3.386 -8.395 1.00 0.00 H ATOM 117 N LEU A 9 10.702 0.162 -7.889 1.00 0.00 N ATOM 118 CA LEU A 9 11.459 1.378 -8.150 1.00 0.00 C ATOM 119 C LEU A 9 10.495 2.524 -8.455 1.00 0.00 C ATOM 120 O LEU A 9 10.561 3.569 -7.813 1.00 0.00 O ATOM 121 CB LEU A 9 12.438 1.126 -9.306 1.00 0.00 C ATOM 122 CG LEU A 9 13.260 2.362 -9.712 1.00 0.00 C ATOM 123 CD1 LEU A 9 14.143 2.869 -8.565 1.00 0.00 C ATOM 124 CD2 LEU A 9 14.145 2.002 -10.911 1.00 0.00 C ATOM 125 H LEU A 9 9.877 0.007 -8.450 1.00 0.00 H ATOM 126 HA LEU A 9 12.024 1.646 -7.257 1.00 0.00 H ATOM 127 1HB LEU A 9 13.123 0.328 -9.014 1.00 0.00 H ATOM 128 2HB LEU A 9 11.873 0.785 -10.175 1.00 0.00 H ATOM 129 HG LEU A 9 12.593 3.167 -10.021 1.00 0.00 H ATOM 130 1HD1 LEU A 9 14.769 2.060 -8.188 1.00 0.00 H ATOM 131 2HD1 LEU A 9 14.783 3.676 -8.925 1.00 0.00 H ATOM 132 3HD1 LEU A 9 13.529 3.259 -7.755 1.00 0.00 H ATOM 133 1HD2 LEU A 9 13.524 1.665 -11.741 1.00 0.00 H ATOM 134 2HD2 LEU A 9 14.711 2.878 -11.230 1.00 0.00 H ATOM 135 3HD2 LEU A 9 14.841 1.207 -10.639 1.00 0.00 H ATOM 136 N THR A 10 9.614 2.328 -9.443 1.00 0.00 N ATOM 137 CA THR A 10 8.718 3.350 -9.966 1.00 0.00 C ATOM 138 C THR A 10 7.316 3.200 -9.369 1.00 0.00 C ATOM 139 O THR A 10 7.042 2.253 -8.631 1.00 0.00 O ATOM 140 CB THR A 10 8.677 3.223 -11.498 1.00 0.00 C ATOM 141 OG1 THR A 10 8.267 1.919 -11.857 1.00 0.00 O ATOM 142 CG2 THR A 10 10.047 3.510 -12.121 1.00 0.00 C ATOM 143 H THR A 10 9.606 1.439 -9.921 1.00 0.00 H ATOM 144 HA THR A 10 9.092 4.344 -9.718 1.00 0.00 H ATOM 145 HB THR A 10 7.965 3.942 -11.907 1.00 0.00 H ATOM 146 HG1 THR A 10 8.204 1.868 -12.814 1.00 0.00 H ATOM 147 1HG2 THR A 10 10.776 2.763 -11.808 1.00 0.00 H ATOM 148 2HG2 THR A 10 9.964 3.484 -13.208 1.00 0.00 H ATOM 149 3HG2 THR A 10 10.393 4.499 -11.818 1.00 0.00 H ATOM 150 N TRP A 11 6.422 4.137 -9.709 1.00 0.00 N ATOM 151 CA TRP A 11 5.010 4.062 -9.370 1.00 0.00 C ATOM 152 C TRP A 11 4.348 2.975 -10.217 1.00 0.00 C ATOM 153 O TRP A 11 4.035 3.210 -11.383 1.00 0.00 O ATOM 154 CB TRP A 11 4.339 5.422 -9.598 1.00 0.00 C ATOM 155 CG TRP A 11 4.745 6.497 -8.639 1.00 0.00 C ATOM 156 CD1 TRP A 11 5.583 7.523 -8.907 1.00 0.00 C ATOM 157 CD2 TRP A 11 4.360 6.652 -7.240 1.00 0.00 C ATOM 158 NE1 TRP A 11 5.748 8.301 -7.780 1.00 0.00 N ATOM 159 CE2 TRP A 11 5.015 7.807 -6.720 1.00 0.00 C ATOM 160 CE3 TRP A 11 3.533 5.929 -6.354 1.00 0.00 C ATOM 161 CZ2 TRP A 11 4.854 8.225 -5.391 1.00 0.00 C ATOM 162 CZ3 TRP A 11 3.360 6.343 -5.019 1.00 0.00 C ATOM 163 CH2 TRP A 11 4.017 7.489 -4.538 1.00 0.00 C ATOM 164 H TRP A 11 6.715 4.898 -10.303 1.00 0.00 H ATOM 165 HA TRP A 11 4.907 3.820 -8.313 1.00 0.00 H ATOM 166 1HB TRP A 11 4.538 5.758 -10.618 1.00 0.00 H ATOM 167 2HB TRP A 11 3.261 5.292 -9.494 1.00 0.00 H ATOM 168 HD1 TRP A 11 6.062 7.702 -9.858 1.00 0.00 H ATOM 169 HE1 TRP A 11 6.328 9.126 -7.716 1.00 0.00 H ATOM 170 HE3 TRP A 11 3.025 5.043 -6.707 1.00 0.00 H ATOM 171 HZ2 TRP A 11 5.367 9.104 -5.028 1.00 0.00 H ATOM 172 HZ3 TRP A 11 2.727 5.773 -4.356 1.00 0.00 H ATOM 173 HH2 TRP A 11 3.881 7.799 -3.512 1.00 0.00 H ATOM 174 N VAL A 12 4.134 1.794 -9.628 1.00 0.00 N ATOM 175 CA VAL A 12 3.507 0.660 -10.292 1.00 0.00 C ATOM 176 C VAL A 12 2.042 0.610 -9.863 1.00 0.00 C ATOM 177 O VAL A 12 1.751 0.380 -8.691 1.00 0.00 O ATOM 178 CB VAL A 12 4.259 -0.636 -9.942 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.529 -1.875 -10.480 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.669 -0.606 -10.546 1.00 0.00 C ATOM 181 H VAL A 12 4.401 1.678 -8.658 1.00 0.00 H ATOM 182 HA VAL A 12 3.555 0.779 -11.376 1.00 0.00 H ATOM 183 HB VAL A 12 4.337 -0.726 -8.859 1.00 0.00 H ATOM 184 1HG1 VAL A 12 3.382 -1.784 -11.557 1.00 0.00 H ATOM 185 2HG1 VAL A 12 4.122 -2.767 -10.276 1.00 0.00 H ATOM 186 3HG1 VAL A 12 2.560 -1.994 -9.994 1.00 0.00 H ATOM 187 1HG2 VAL A 12 5.612 -0.499 -11.629 1.00 0.00 H ATOM 188 2HG2 VAL A 12 6.243 0.225 -10.138 1.00 0.00 H ATOM 189 3HG2 VAL A 12 6.187 -1.535 -10.311 1.00 0.00 H ATOM 190 N CYS A 13 1.132 0.839 -10.819 1.00 0.00 N ATOM 191 CA CYS A 13 -0.307 0.727 -10.628 1.00 0.00 C ATOM 192 C CYS A 13 -0.947 0.101 -11.865 1.00 0.00 C ATOM 193 O CYS A 13 -0.361 0.141 -12.947 1.00 0.00 O ATOM 194 CB CYS A 13 -0.900 2.110 -10.329 1.00 0.00 C ATOM 195 SG CYS A 13 -2.349 2.050 -9.246 1.00 0.00 S ATOM 196 H CYS A 13 1.449 1.024 -11.760 1.00 0.00 H ATOM 197 HA CYS A 13 -0.498 0.067 -9.781 1.00 0.00 H ATOM 198 1HB CYS A 13 -0.143 2.714 -9.830 1.00 0.00 H ATOM 199 2HB CYS A 13 -1.159 2.620 -11.257 1.00 0.00 H ATOM 200 N LYS A 14 -2.156 -0.456 -11.711 1.00 0.00 N ATOM 201 CA LYS A 14 -2.957 -0.962 -12.818 1.00 0.00 C ATOM 202 C LYS A 14 -4.423 -0.596 -12.559 1.00 0.00 C ATOM 203 O LYS A 14 -5.181 -1.443 -12.089 1.00 0.00 O ATOM 204 CB LYS A 14 -2.718 -2.476 -12.955 1.00 0.00 C ATOM 205 CG LYS A 14 -3.465 -3.144 -14.121 1.00 0.00 C ATOM 206 CD LYS A 14 -3.010 -2.623 -15.492 1.00 0.00 C ATOM 207 CE LYS A 14 -3.681 -3.384 -16.642 1.00 0.00 C ATOM 208 NZ LYS A 14 -3.256 -4.793 -16.699 1.00 0.00 N ATOM 209 H LYS A 14 -2.578 -0.469 -10.792 1.00 0.00 H ATOM 210 HA LYS A 14 -2.640 -0.488 -13.746 1.00 0.00 H ATOM 211 1HB LYS A 14 -1.650 -2.647 -13.096 1.00 0.00 H ATOM 212 2HB LYS A 14 -3.013 -2.968 -12.028 1.00 0.00 H ATOM 213 1HG LYS A 14 -3.258 -4.213 -14.059 1.00 0.00 H ATOM 214 2HG LYS A 14 -4.540 -3.002 -14.017 1.00 0.00 H ATOM 215 1HD LYS A 14 -3.283 -1.573 -15.591 1.00 0.00 H ATOM 216 2HD LYS A 14 -1.927 -2.715 -15.582 1.00 0.00 H ATOM 217 1HE LYS A 14 -4.765 -3.339 -16.530 1.00 0.00 H ATOM 218 2HE LYS A 14 -3.407 -2.907 -17.584 1.00 0.00 H ATOM 219 1HZ LYS A 14 -2.252 -4.840 -16.799 1.00 0.00 H ATOM 220 2HZ LYS A 14 -3.532 -5.268 -15.852 1.00 0.00 H ATOM 221 3HZ LYS A 14 -3.693 -5.244 -17.490 1.00 0.00 H ATOM 222 N PRO A 15 -4.830 0.658 -12.832 1.00 0.00 N ATOM 223 CA PRO A 15 -6.163 1.168 -12.538 1.00 0.00 C ATOM 224 C PRO A 15 -7.282 0.267 -13.068 1.00 0.00 C ATOM 225 O PRO A 15 -7.516 0.194 -14.273 1.00 0.00 O ATOM 226 CB PRO A 15 -6.212 2.576 -13.141 1.00 0.00 C ATOM 227 CG PRO A 15 -4.755 3.022 -13.052 1.00 0.00 C ATOM 228 CD PRO A 15 -3.996 1.731 -13.351 1.00 0.00 C ATOM 229 HA PRO A 15 -6.243 1.261 -11.455 1.00 0.00 H ATOM 230 1HB PRO A 15 -6.500 2.538 -14.193 1.00 0.00 H ATOM 231 2HB PRO A 15 -6.882 3.238 -12.592 1.00 0.00 H ATOM 232 1HG PRO A 15 -4.519 3.817 -13.760 1.00 0.00 H ATOM 233 2HG PRO A 15 -4.538 3.345 -12.033 1.00 0.00 H ATOM 234 1HD PRO A 15 -3.887 1.608 -14.430 1.00 0.00 H ATOM 235 2HD PRO A 15 -3.015 1.773 -12.880 1.00 0.00 H ATOM 236 N GLN A 16 -7.965 -0.422 -12.147 1.00 0.00 N ATOM 237 CA GLN A 16 -9.064 -1.330 -12.447 1.00 0.00 C ATOM 238 C GLN A 16 -10.340 -0.556 -12.798 1.00 0.00 C ATOM 239 O GLN A 16 -10.395 0.667 -12.685 1.00 0.00 O ATOM 240 CB GLN A 16 -9.268 -2.296 -11.268 1.00 0.00 C ATOM 241 CG GLN A 16 -9.675 -1.578 -9.973 1.00 0.00 C ATOM 242 CD GLN A 16 -9.621 -2.490 -8.752 1.00 0.00 C ATOM 243 OE1 GLN A 16 -8.867 -2.228 -7.815 1.00 0.00 O ATOM 244 NE2 GLN A 16 -10.417 -3.560 -8.753 1.00 0.00 N ATOM 245 H GLN A 16 -7.689 -0.320 -11.182 1.00 0.00 H ATOM 246 HA GLN A 16 -8.785 -1.931 -13.315 1.00 0.00 H ATOM 247 1HB GLN A 16 -10.032 -3.029 -11.528 1.00 0.00 H ATOM 248 2HB GLN A 16 -8.332 -2.831 -11.105 1.00 0.00 H ATOM 249 1HG GLN A 16 -8.993 -0.753 -9.784 1.00 0.00 H ATOM 250 2HG GLN A 16 -10.686 -1.183 -10.077 1.00 0.00 H ATOM 251 1HE2 GLN A 16 -11.024 -3.739 -9.539 1.00 0.00 H ATOM 252 2HE2 GLN A 16 -10.412 -4.186 -7.960 1.00 0.00 H HETATM 253 N NH2 A 17 -11.377 -1.273 -13.234 1.00 0.00 N HETATM 254 1HN NH2 A 17 -12.238 -0.806 -13.481 1.00 0.00 H HETATM 255 2HN NH2 A 17 -11.298 -2.276 -13.323 1.00 0.00 H TER 256 NH2 A 17 ENDMDL MODEL 20 ATOM 1 N THR A 1 0.941 0.643 0.386 1.00 0.00 N ATOM 2 CA THR A 1 -0.049 0.152 -0.591 1.00 0.00 C ATOM 3 C THR A 1 0.566 -0.868 -1.552 1.00 0.00 C ATOM 4 O THR A 1 1.786 -1.002 -1.630 1.00 0.00 O ATOM 5 CB THR A 1 -0.693 1.317 -1.364 1.00 0.00 C ATOM 6 OG1 THR A 1 0.306 2.104 -1.978 1.00 0.00 O ATOM 7 CG2 THR A 1 -1.539 2.209 -0.449 1.00 0.00 C ATOM 8 1H THR A 1 1.661 1.149 -0.110 1.00 0.00 H ATOM 9 2H THR A 1 0.493 1.256 1.052 1.00 0.00 H ATOM 10 3H THR A 1 1.354 -0.142 0.869 1.00 0.00 H ATOM 11 HA THR A 1 -0.831 -0.362 -0.030 1.00 0.00 H ATOM 12 HB THR A 1 -1.349 0.917 -2.139 1.00 0.00 H ATOM 13 HG1 THR A 1 -0.100 2.659 -2.652 1.00 0.00 H ATOM 14 1HG2 THR A 1 -0.914 2.684 0.307 1.00 0.00 H ATOM 15 2HG2 THR A 1 -2.021 2.984 -1.045 1.00 0.00 H ATOM 16 3HG2 THR A 1 -2.309 1.612 0.042 1.00 0.00 H ATOM 17 N TYR A 2 -0.298 -1.577 -2.288 1.00 0.00 N ATOM 18 CA TYR A 2 0.080 -2.492 -3.359 1.00 0.00 C ATOM 19 C TYR A 2 -0.964 -2.466 -4.487 1.00 0.00 C ATOM 20 O TYR A 2 -1.041 -3.395 -5.286 1.00 0.00 O ATOM 21 CB TYR A 2 0.296 -3.899 -2.782 1.00 0.00 C ATOM 22 CG TYR A 2 -0.953 -4.558 -2.226 1.00 0.00 C ATOM 23 CD1 TYR A 2 -1.417 -4.219 -0.940 1.00 0.00 C ATOM 24 CD2 TYR A 2 -1.662 -5.497 -2.998 1.00 0.00 C ATOM 25 CE1 TYR A 2 -2.598 -4.796 -0.442 1.00 0.00 C ATOM 26 CE2 TYR A 2 -2.843 -6.073 -2.499 1.00 0.00 C ATOM 27 CZ TYR A 2 -3.314 -5.720 -1.223 1.00 0.00 C ATOM 28 OH TYR A 2 -4.463 -6.272 -0.738 1.00 0.00 O ATOM 29 H TYR A 2 -1.285 -1.443 -2.126 1.00 0.00 H ATOM 30 HA TYR A 2 1.018 -2.154 -3.800 1.00 0.00 H ATOM 31 1HB TYR A 2 0.720 -4.533 -3.561 1.00 0.00 H ATOM 32 2HB TYR A 2 1.037 -3.837 -1.984 1.00 0.00 H ATOM 33 HD1 TYR A 2 -0.871 -3.513 -0.332 1.00 0.00 H ATOM 34 HD2 TYR A 2 -1.310 -5.777 -3.978 1.00 0.00 H ATOM 35 HE1 TYR A 2 -2.955 -4.528 0.542 1.00 0.00 H ATOM 36 HE2 TYR A 2 -3.383 -6.787 -3.104 1.00 0.00 H ATOM 37 HH TYR A 2 -4.872 -6.891 -1.347 1.00 0.00 H ATOM 38 N SER A 3 -1.752 -1.386 -4.561 1.00 0.00 N ATOM 39 CA SER A 3 -2.707 -1.113 -5.623 1.00 0.00 C ATOM 40 C SER A 3 -2.046 -0.126 -6.582 1.00 0.00 C ATOM 41 O SER A 3 -1.863 -0.430 -7.758 1.00 0.00 O ATOM 42 CB SER A 3 -3.990 -0.544 -5.005 1.00 0.00 C ATOM 43 OG SER A 3 -3.690 0.504 -4.102 1.00 0.00 O ATOM 44 H SER A 3 -1.643 -0.653 -3.876 1.00 0.00 H ATOM 45 HA SER A 3 -2.962 -2.024 -6.167 1.00 0.00 H ATOM 46 1HB SER A 3 -4.647 -0.176 -5.795 1.00 0.00 H ATOM 47 2HB SER A 3 -4.504 -1.336 -4.460 1.00 0.00 H ATOM 48 HG SER A 3 -4.512 0.839 -3.736 1.00 0.00 H ATOM 49 N CYS A 4 -1.664 1.035 -6.041 1.00 0.00 N ATOM 50 CA CYS A 4 -0.834 2.053 -6.660 1.00 0.00 C ATOM 51 C CYS A 4 0.129 2.534 -5.580 1.00 0.00 C ATOM 52 O CYS A 4 -0.300 3.144 -4.601 1.00 0.00 O ATOM 53 CB CYS A 4 -1.695 3.186 -7.222 1.00 0.00 C ATOM 54 SG CYS A 4 -2.583 2.824 -8.764 1.00 0.00 S ATOM 55 H CYS A 4 -1.920 1.192 -5.075 1.00 0.00 H ATOM 56 HA CYS A 4 -0.245 1.638 -7.469 1.00 0.00 H ATOM 57 1HB CYS A 4 -2.425 3.481 -6.467 1.00 0.00 H ATOM 58 2HB CYS A 4 -1.057 4.044 -7.424 1.00 0.00 H ATOM 59 N HIS A 5 1.414 2.193 -5.731 1.00 0.00 N ATOM 60 CA HIS A 5 2.443 2.407 -4.725 1.00 0.00 C ATOM 61 C HIS A 5 3.748 2.851 -5.381 1.00 0.00 C ATOM 62 O HIS A 5 3.933 2.665 -6.584 1.00 0.00 O ATOM 63 CB HIS A 5 2.648 1.106 -3.937 1.00 0.00 C ATOM 64 CG HIS A 5 3.355 0.028 -4.717 1.00 0.00 C ATOM 65 ND1 HIS A 5 2.763 -0.581 -5.824 1.00 0.00 N ATOM 66 CD2 HIS A 5 4.614 -0.484 -4.546 1.00 0.00 C ATOM 67 CE1 HIS A 5 3.691 -1.424 -6.282 1.00 0.00 C ATOM 68 NE2 HIS A 5 4.813 -1.414 -5.544 1.00 0.00 N ATOM 69 H HIS A 5 1.697 1.687 -6.561 1.00 0.00 H ATOM 70 HA HIS A 5 2.128 3.189 -4.032 1.00 0.00 H ATOM 71 1HB HIS A 5 3.227 1.323 -3.039 1.00 0.00 H ATOM 72 2HB HIS A 5 1.675 0.721 -3.637 1.00 0.00 H ATOM 73 HD2 HIS A 5 5.323 -0.199 -3.784 1.00 0.00 H ATOM 74 HE1 HIS A 5 3.562 -2.044 -7.156 1.00 0.00 H ATOM 75 HE2 HIS A 5 5.646 -1.963 -5.692 1.00 0.00 H ATOM 76 N PHE A 6 4.670 3.393 -4.574 1.00 0.00 N ATOM 77 CA PHE A 6 6.021 3.690 -5.022 1.00 0.00 C ATOM 78 C PHE A 6 6.844 2.402 -5.027 1.00 0.00 C ATOM 79 O PHE A 6 7.550 2.102 -4.066 1.00 0.00 O ATOM 80 CB PHE A 6 6.674 4.781 -4.164 1.00 0.00 C ATOM 81 CG PHE A 6 8.026 5.207 -4.712 1.00 0.00 C ATOM 82 CD1 PHE A 6 8.093 5.903 -5.934 1.00 0.00 C ATOM 83 CD2 PHE A 6 9.214 4.751 -4.108 1.00 0.00 C ATOM 84 CE1 PHE A 6 9.334 6.132 -6.553 1.00 0.00 C ATOM 85 CE2 PHE A 6 10.455 4.980 -4.727 1.00 0.00 C ATOM 86 CZ PHE A 6 10.515 5.665 -5.952 1.00 0.00 C ATOM 87 H PHE A 6 4.457 3.515 -3.595 1.00 0.00 H ATOM 88 HA PHE A 6 5.973 4.084 -6.035 1.00 0.00 H ATOM 89 1HB PHE A 6 6.025 5.656 -4.141 1.00 0.00 H ATOM 90 2HB PHE A 6 6.782 4.425 -3.138 1.00 0.00 H ATOM 91 HD1 PHE A 6 7.191 6.248 -6.415 1.00 0.00 H ATOM 92 HD2 PHE A 6 9.177 4.194 -3.182 1.00 0.00 H ATOM 93 HE1 PHE A 6 9.378 6.657 -7.496 1.00 0.00 H ATOM 94 HE2 PHE A 6 11.362 4.614 -4.268 1.00 0.00 H ATOM 95 HZ PHE A 6 11.468 5.827 -6.434 1.00 0.00 H ATOM 96 N GLY A 7 6.753 1.643 -6.120 1.00 0.00 N ATOM 97 CA GLY A 7 7.595 0.486 -6.357 1.00 0.00 C ATOM 98 C GLY A 7 7.067 -0.314 -7.548 1.00 0.00 C ATOM 99 O GLY A 7 6.012 0.030 -8.079 1.00 0.00 O ATOM 100 H GLY A 7 6.113 1.908 -6.858 1.00 0.00 H ATOM 101 1HA GLY A 7 8.588 0.874 -6.569 1.00 0.00 H ATOM 102 2HA GLY A 7 7.625 -0.150 -5.471 1.00 0.00 H ATOM 103 N PRO A 8 7.757 -1.389 -7.970 1.00 0.00 N ATOM 104 CA PRO A 8 8.949 -1.968 -7.354 1.00 0.00 C ATOM 105 C PRO A 8 10.138 -1.008 -7.245 1.00 0.00 C ATOM 106 O PRO A 8 10.699 -0.863 -6.161 1.00 0.00 O ATOM 107 CB PRO A 8 9.301 -3.192 -8.207 1.00 0.00 C ATOM 108 CG PRO A 8 7.951 -3.608 -8.783 1.00 0.00 C ATOM 109 CD PRO A 8 7.269 -2.263 -9.023 1.00 0.00 C ATOM 110 HA PRO A 8 8.674 -2.315 -6.357 1.00 0.00 H ATOM 111 1HB PRO A 8 9.960 -2.913 -9.031 1.00 0.00 H ATOM 112 2HB PRO A 8 9.760 -3.987 -7.616 1.00 0.00 H ATOM 113 1HG PRO A 8 8.049 -4.196 -9.696 1.00 0.00 H ATOM 114 2HG PRO A 8 7.401 -4.168 -8.027 1.00 0.00 H ATOM 115 1HD PRO A 8 7.569 -1.858 -9.990 1.00 0.00 H ATOM 116 2HD PRO A 8 6.185 -2.385 -8.990 1.00 0.00 H ATOM 117 N LEU A 9 10.508 -0.353 -8.355 1.00 0.00 N ATOM 118 CA LEU A 9 11.604 0.608 -8.414 1.00 0.00 C ATOM 119 C LEU A 9 11.032 2.026 -8.437 1.00 0.00 C ATOM 120 O LEU A 9 11.233 2.791 -7.496 1.00 0.00 O ATOM 121 CB LEU A 9 12.477 0.305 -9.643 1.00 0.00 C ATOM 122 CG LEU A 9 13.656 1.278 -9.828 1.00 0.00 C ATOM 123 CD1 LEU A 9 14.642 1.222 -8.655 1.00 0.00 C ATOM 124 CD2 LEU A 9 14.393 0.929 -11.125 1.00 0.00 C ATOM 125 H LEU A 9 9.987 -0.518 -9.204 1.00 0.00 H ATOM 126 HA LEU A 9 12.227 0.502 -7.526 1.00 0.00 H ATOM 127 1HB LEU A 9 12.871 -0.707 -9.545 1.00 0.00 H ATOM 128 2HB LEU A 9 11.855 0.338 -10.538 1.00 0.00 H ATOM 129 HG LEU A 9 13.284 2.298 -9.920 1.00 0.00 H ATOM 130 1HD1 LEU A 9 14.972 0.196 -8.491 1.00 0.00 H ATOM 131 2HD1 LEU A 9 15.510 1.843 -8.877 1.00 0.00 H ATOM 132 3HD1 LEU A 9 14.177 1.602 -7.746 1.00 0.00 H ATOM 133 1HD2 LEU A 9 13.707 0.995 -11.970 1.00 0.00 H ATOM 134 2HD2 LEU A 9 15.213 1.629 -11.285 1.00 0.00 H ATOM 135 3HD2 LEU A 9 14.794 -0.083 -11.068 1.00 0.00 H ATOM 136 N THR A 10 10.303 2.357 -9.510 1.00 0.00 N ATOM 137 CA THR A 10 9.549 3.597 -9.655 1.00 0.00 C ATOM 138 C THR A 10 8.081 3.305 -9.337 1.00 0.00 C ATOM 139 O THR A 10 7.737 2.168 -9.022 1.00 0.00 O ATOM 140 CB THR A 10 9.721 4.143 -11.082 1.00 0.00 C ATOM 141 OG1 THR A 10 9.282 3.193 -12.032 1.00 0.00 O ATOM 142 CG2 THR A 10 11.179 4.513 -11.371 1.00 0.00 C ATOM 143 H THR A 10 10.172 1.663 -10.229 1.00 0.00 H ATOM 144 HA THR A 10 9.908 4.350 -8.952 1.00 0.00 H ATOM 145 HB THR A 10 9.119 5.046 -11.195 1.00 0.00 H ATOM 146 HG1 THR A 10 9.881 2.443 -12.021 1.00 0.00 H ATOM 147 1HG2 THR A 10 11.812 3.627 -11.348 1.00 0.00 H ATOM 148 2HG2 THR A 10 11.247 4.968 -12.360 1.00 0.00 H ATOM 149 3HG2 THR A 10 11.533 5.228 -10.628 1.00 0.00 H ATOM 150 N TRP A 11 7.207 4.315 -9.413 1.00 0.00 N ATOM 151 CA TRP A 11 5.792 4.126 -9.133 1.00 0.00 C ATOM 152 C TRP A 11 5.141 3.257 -10.210 1.00 0.00 C ATOM 153 O TRP A 11 5.190 3.601 -11.390 1.00 0.00 O ATOM 154 CB TRP A 11 5.082 5.478 -9.010 1.00 0.00 C ATOM 155 CG TRP A 11 3.685 5.404 -8.469 1.00 0.00 C ATOM 156 CD1 TRP A 11 2.603 4.942 -9.135 1.00 0.00 C ATOM 157 CD2 TRP A 11 3.201 5.775 -7.143 1.00 0.00 C ATOM 158 NE1 TRP A 11 1.490 4.990 -8.322 1.00 0.00 N ATOM 159 CE2 TRP A 11 1.804 5.499 -7.078 1.00 0.00 C ATOM 160 CE3 TRP A 11 3.799 6.326 -5.990 1.00 0.00 C ATOM 161 CZ2 TRP A 11 1.043 5.755 -5.927 1.00 0.00 C ATOM 162 CZ3 TRP A 11 3.052 6.556 -4.819 1.00 0.00 C ATOM 163 CH2 TRP A 11 1.677 6.269 -4.785 1.00 0.00 C ATOM 164 H TRP A 11 7.524 5.236 -9.679 1.00 0.00 H ATOM 165 HA TRP A 11 5.712 3.621 -8.174 1.00 0.00 H ATOM 166 1HB TRP A 11 5.663 6.112 -8.341 1.00 0.00 H ATOM 167 2HB TRP A 11 5.056 5.963 -9.987 1.00 0.00 H ATOM 168 HD1 TRP A 11 2.604 4.578 -10.152 1.00 0.00 H ATOM 169 HE1 TRP A 11 0.560 4.701 -8.588 1.00 0.00 H ATOM 170 HE3 TRP A 11 4.847 6.578 -6.006 1.00 0.00 H ATOM 171 HZ2 TRP A 11 -0.018 5.560 -5.913 1.00 0.00 H ATOM 172 HZ3 TRP A 11 3.537 6.963 -3.944 1.00 0.00 H ATOM 173 HH2 TRP A 11 1.107 6.453 -3.887 1.00 0.00 H ATOM 174 N VAL A 12 4.517 2.148 -9.793 1.00 0.00 N ATOM 175 CA VAL A 12 3.741 1.266 -10.655 1.00 0.00 C ATOM 176 C VAL A 12 2.485 0.843 -9.889 1.00 0.00 C ATOM 177 O VAL A 12 2.520 0.718 -8.665 1.00 0.00 O ATOM 178 CB VAL A 12 4.580 0.044 -11.090 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.810 -0.836 -12.082 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.903 0.455 -11.751 1.00 0.00 C ATOM 181 H VAL A 12 4.520 1.927 -8.805 1.00 0.00 H ATOM 182 HA VAL A 12 3.429 1.813 -11.546 1.00 0.00 H ATOM 183 HB VAL A 12 4.807 -0.565 -10.216 1.00 0.00 H ATOM 184 1HG1 VAL A 12 3.493 -0.246 -12.942 1.00 0.00 H ATOM 185 2HG1 VAL A 12 4.447 -1.652 -12.425 1.00 0.00 H ATOM 186 3HG1 VAL A 12 2.937 -1.271 -11.599 1.00 0.00 H ATOM 187 1HG2 VAL A 12 5.709 1.109 -12.602 1.00 0.00 H ATOM 188 2HG2 VAL A 12 6.546 0.969 -11.039 1.00 0.00 H ATOM 189 3HG2 VAL A 12 6.433 -0.431 -12.100 1.00 0.00 H ATOM 190 N CYS A 13 1.382 0.618 -10.615 1.00 0.00 N ATOM 191 CA CYS A 13 0.129 0.131 -10.058 1.00 0.00 C ATOM 192 C CYS A 13 0.013 -1.372 -10.305 1.00 0.00 C ATOM 193 O CYS A 13 -0.724 -1.815 -11.184 1.00 0.00 O ATOM 194 CB CYS A 13 -1.053 0.914 -10.644 1.00 0.00 C ATOM 195 SG CYS A 13 -1.145 2.678 -10.218 1.00 0.00 S ATOM 196 H CYS A 13 1.427 0.743 -11.616 1.00 0.00 H ATOM 197 HA CYS A 13 0.127 0.268 -8.984 1.00 0.00 H ATOM 198 1HB CYS A 13 -1.002 0.844 -11.731 1.00 0.00 H ATOM 199 2HB CYS A 13 -1.986 0.447 -10.325 1.00 0.00 H ATOM 200 N LYS A 14 0.764 -2.146 -9.512 1.00 0.00 N ATOM 201 CA LYS A 14 0.783 -3.602 -9.518 1.00 0.00 C ATOM 202 C LYS A 14 0.873 -4.102 -8.072 1.00 0.00 C ATOM 203 O LYS A 14 1.293 -3.343 -7.198 1.00 0.00 O ATOM 204 CB LYS A 14 2.000 -4.089 -10.323 1.00 0.00 C ATOM 205 CG LYS A 14 1.729 -4.065 -11.834 1.00 0.00 C ATOM 206 CD LYS A 14 2.943 -4.517 -12.660 1.00 0.00 C ATOM 207 CE LYS A 14 2.984 -6.025 -12.944 1.00 0.00 C ATOM 208 NZ LYS A 14 3.163 -6.835 -11.728 1.00 0.00 N ATOM 209 H LYS A 14 1.327 -1.694 -8.804 1.00 0.00 H ATOM 210 HA LYS A 14 -0.138 -3.980 -9.963 1.00 0.00 H ATOM 211 1HB LYS A 14 2.858 -3.455 -10.094 1.00 0.00 H ATOM 212 2HB LYS A 14 2.247 -5.102 -10.020 1.00 0.00 H ATOM 213 1HG LYS A 14 0.867 -4.690 -12.072 1.00 0.00 H ATOM 214 2HG LYS A 14 1.492 -3.042 -12.122 1.00 0.00 H ATOM 215 1HD LYS A 14 2.886 -4.016 -13.628 1.00 0.00 H ATOM 216 2HD LYS A 14 3.867 -4.202 -12.174 1.00 0.00 H ATOM 217 1HE LYS A 14 2.064 -6.331 -13.444 1.00 0.00 H ATOM 218 2HE LYS A 14 3.823 -6.227 -13.610 1.00 0.00 H ATOM 219 1HZ LYS A 14 3.986 -6.526 -11.231 1.00 0.00 H ATOM 220 2HZ LYS A 14 2.352 -6.741 -11.135 1.00 0.00 H ATOM 221 3HZ LYS A 14 3.273 -7.806 -11.985 1.00 0.00 H ATOM 222 N PRO A 15 0.530 -5.376 -7.809 1.00 0.00 N ATOM 223 CA PRO A 15 0.760 -6.028 -6.527 1.00 0.00 C ATOM 224 C PRO A 15 2.260 -6.291 -6.350 1.00 0.00 C ATOM 225 O PRO A 15 2.726 -7.418 -6.506 1.00 0.00 O ATOM 226 CB PRO A 15 -0.079 -7.309 -6.575 1.00 0.00 C ATOM 227 CG PRO A 15 -0.075 -7.666 -8.061 1.00 0.00 C ATOM 228 CD PRO A 15 -0.116 -6.295 -8.736 1.00 0.00 C ATOM 229 HA PRO A 15 0.409 -5.412 -5.703 1.00 0.00 H ATOM 230 1HB PRO A 15 0.313 -8.110 -5.947 1.00 0.00 H ATOM 231 2HB PRO A 15 -1.101 -7.075 -6.275 1.00 0.00 H ATOM 232 1HG PRO A 15 0.858 -8.171 -8.314 1.00 0.00 H ATOM 233 2HG PRO A 15 -0.925 -8.290 -8.338 1.00 0.00 H ATOM 234 1HD PRO A 15 0.382 -6.346 -9.703 1.00 0.00 H ATOM 235 2HD PRO A 15 -1.154 -5.989 -8.870 1.00 0.00 H ATOM 236 N GLN A 16 3.011 -5.225 -6.044 1.00 0.00 N ATOM 237 CA GLN A 16 4.465 -5.219 -5.941 1.00 0.00 C ATOM 238 C GLN A 16 5.105 -5.728 -7.233 1.00 0.00 C ATOM 239 O GLN A 16 5.994 -6.576 -7.217 1.00 0.00 O ATOM 240 CB GLN A 16 4.934 -5.977 -4.689 1.00 0.00 C ATOM 241 CG GLN A 16 4.219 -5.486 -3.424 1.00 0.00 C ATOM 242 CD GLN A 16 4.372 -3.981 -3.212 1.00 0.00 C ATOM 243 OE1 GLN A 16 3.406 -3.235 -3.335 1.00 0.00 O ATOM 244 NE2 GLN A 16 5.589 -3.529 -2.903 1.00 0.00 N ATOM 245 H GLN A 16 2.540 -4.334 -5.949 1.00 0.00 H ATOM 246 HA GLN A 16 4.779 -4.181 -5.840 1.00 0.00 H ATOM 247 1HB GLN A 16 4.739 -7.044 -4.805 1.00 0.00 H ATOM 248 2HB GLN A 16 6.009 -5.835 -4.570 1.00 0.00 H ATOM 249 1HG GLN A 16 3.159 -5.726 -3.502 1.00 0.00 H ATOM 250 2HG GLN A 16 4.626 -6.012 -2.561 1.00 0.00 H ATOM 251 1HE2 GLN A 16 6.361 -4.173 -2.811 1.00 0.00 H ATOM 252 2HE2 GLN A 16 5.727 -2.540 -2.752 1.00 0.00 H HETATM 253 N NH2 A 17 4.648 -5.185 -8.362 1.00 0.00 N HETATM 254 1HN NH2 A 17 5.027 -5.468 -9.254 1.00 0.00 H HETATM 255 2HN NH2 A 17 3.906 -4.504 -8.302 1.00 0.00 H TER 256 NH2 A 17 ENDMDL CONECT 54 195 CONECT 195 54 CONECT 253 254 255 CONECT 254 253 CONECT 255 253 MASTER 93 0 1 0 2 0 0 6 5100 20 5 2 END