TITLE PEPTIDE ANTAGONIST OF IGFBP1, (I,I+8) COVALENTLY RESTRAINED TITLE 2 ANALOG COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN: IGFBP-1 ANTAGONIST; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: (I,I+8) LOCKED HELIX VARIANT OF BP1-01 SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. IT SOURCE 4 WAS DESIGNED FROM SEQUENCE SELECTED FROM PHAGE DISPLAY SOURCE 5 LIBRARY. KEYWDS COVALENTLY CONSTRAINED HELIX EXPDTA NMR, 20 STRUCTURES AUTHOR N.J.SKELTON,Y.M.CHEN,N.DUBREE,C.QUAN,D.Y.JACKSON, AUTHOR 2 A.G.COCHRAN,K.ZOBEL,K.DESHAYES,M.BACA,M.T.PISABARRO, AUTHOR 3 H.B.LOWMAN REVDAT 1 30-MAY-01 1IN3 0 JRNL AUTH N.J.SKELTON,Y.M.CHEN,N.DUBREE,C.QUAN,D.Y.JACKSON, JRNL AUTH 2 A.G.COCHRAN,K.ZOBEL,K.DESHAYES,M.BACA, JRNL AUTH 3 M.T.PISABARRO,H.B.LOWMAN JRNL TITL STRUCTURE-FUNCTION ANALYSIS OF A PHAGE JRNL TITL 2 DISPLAY-DERIVED PEPTIDE THAT BINDS TO IGFBP-1 JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH H.B.LOWMAN,Y.M.CHEN,N.J.SKELTON,D.L.MORTENSEN, REMARK 1 AUTH 2 E.E.TOMLINSON,M.D.SADICK,I.C.ROBINSON,R.G.CLARK REMARK 1 TITL MOLECULAR MIMICS OF INSULIN-LIKE GROWTH FACTOR 1 REMARK 1 TITL 2 (IGF-1) FOR INHIBITING IGF-1: IGF-BINDING PROTEIN REMARK 1 TITL 3 INTERACTIONS REMARK 1 REF BIOCHEMISTRY V. 37 8870 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 : DGII 970, DISCOVER 970 REMARK 3 AUTHORS : HAVEL (DGII), MSI (DISCOVER) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE WAS DETEMINED ON REMARK 3 THE BASIS OF 104 NOE DISTANCERESTRAINTS AND 11 DIHEDRAL REMARK 3 ANGLE RESTRAINTS. THE RESULTING ENSEMBLE HAD NO RESTRAINT REMARK 3 VIOLATIONS GREATER THAN 0.07 ANGSTROMS OR 1.4 DEG. THE REMARK 3 MEAN RESTRAINT VIOLATION ENERGY WAS 0.13+/- 0.04 KCAL/MOL. REMARK 4 REMARK 4 1IN3 COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-MAY-2001. REMARK 100 THE RCSB ID CODE IS RCSB013421. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303.00 REMARK 210 PH : 5.00 REMARK 210 IONIC STRENGTH : 0 REMARK 210 PRESSURE : 1 REMARK 210 SAMPLE CONTENTS : 5 MM PEPTIDE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D-ROESY, DQF-COSY, COSY REMARK 210 -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 : FELIX 970 REMARK 210 METHOD USED : RESTRAINED MOLECULAR REMARK 210 DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 80 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE REMARK 210 LEAST RESTRAINT REMARK 210 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. 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 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1IMW RELATED DB: PDB REMARK 900 PEPTIDE ANTAGONIST OF IGFBP1 REMARK 900 RELATED ID: 1IN2 RELATED DB: PDB REMARK 900 PEPTIDE ANTAGONIST OF IGFBP1, (I,I+7) COVALENTLY RESTRAINED REMARK 900 ANALOG REMARK 900 RELATED ID: 1GJE RELATED DB: PDB REMARK 900 PEPTIDE ANTAGONIST OF IGFBP-1, MINIMIZED AVERAGE STRUCTURE REMARK 900 RELATED ID: 1GJF RELATED DB: PDB REMARK 900 PEPTIDE ANTAGONIST OF IGFBP1, (I,I+7) COVALENTLY RESTRAINED REMARK 900 ANALOG, MINIMIZED AVERAGE STRUCTURE REMARK 900 RELATED ID: 1GJG RELATED DB: PDB REMARK 900 PEPTIDE ANTAGONIST OF IGFBP1, (I,I+8) COVALENTLY RESTRAINED REMARK 900 ANALOG, MINIMIZED AVERAGE STRUCTURE REMARK 999 REMARK 999 SEQUENCE AN APPROPRIATE SEQUENCE DATABASE REFERENCE WAS NOT REMARK 999 AVAILABLE AT THE TIME OF PROCESSING. SEQRES 1 A 14 ACE ARG PRO LEU GLN TRP LEU ALA GLU LYS TYR PHE GLN SEQRES 2 A 14 NH2 HET ACE A 3 6 HET NH2 A 16 3 HET LNK A 17 15 HETNAM ACE ACETYL GROUP HETNAM NH2 AMINO GROUP HETNAM LNK PENTANE FORMUL 1 ACE C2 H3 O1 FORMUL 1 NH2 H2 N1 FORMUL 2 LNK C5 H12 HELIX 1 1 LEU A 6 TYR A 13 1 8 LINK NE2 GLN A 7 C5 LNK A 17 LINK NE2 GLN A 15 C1 LNK A 17 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 HETATM 1 C ACE A 3 1.928 10.808 -4.593 1.00 0.00 C HETATM 2 O ACE A 3 2.000 10.489 -3.408 1.00 0.00 O HETATM 3 CH3 ACE A 3 2.339 12.205 -5.042 1.00 0.00 C HETATM 4 1H ACE A 3 3.112 12.130 -5.807 1.00 0.00 H HETATM 5 2H ACE A 3 1.474 12.728 -5.450 1.00 0.00 H HETATM 6 3H ACE A 3 2.730 12.767 -4.193 1.00 0.00 H ATOM 7 N ARG A 4 1.498 9.979 -5.551 1.00 0.00 N ATOM 8 CA ARG A 4 1.067 8.608 -5.308 1.00 0.00 C ATOM 9 C ARG A 4 1.287 7.755 -6.566 1.00 0.00 C ATOM 10 O ARG A 4 0.322 7.408 -7.247 1.00 0.00 O ATOM 11 CB ARG A 4 -0.396 8.592 -4.834 1.00 0.00 C ATOM 12 CG ARG A 4 -1.341 9.431 -5.711 1.00 0.00 C ATOM 13 CD ARG A 4 -2.695 8.737 -5.880 1.00 0.00 C ATOM 14 NE ARG A 4 -2.565 7.545 -6.729 1.00 0.00 N ATOM 15 CZ ARG A 4 -3.579 6.747 -7.096 1.00 0.00 C ATOM 16 NH1 ARG A 4 -4.827 6.985 -6.669 1.00 0.00 N ATOM 17 NH2 ARG A 4 -3.338 5.702 -7.899 1.00 0.00 N ATOM 18 H ARG A 4 1.462 10.316 -6.502 1.00 0.00 H ATOM 19 HA ARG A 4 1.656 8.171 -4.501 1.00 0.00 H ATOM 20 1HB ARG A 4 -0.730 7.556 -4.793 1.00 0.00 H ATOM 21 2HB ARG A 4 -0.443 8.987 -3.818 1.00 0.00 H ATOM 22 1HG ARG A 4 -1.489 10.402 -5.236 1.00 0.00 H ATOM 23 2HG ARG A 4 -0.919 9.601 -6.703 1.00 0.00 H ATOM 24 1HD ARG A 4 -3.085 8.456 -4.901 1.00 0.00 H ATOM 25 2HD ARG A 4 -3.388 9.434 -6.353 1.00 0.00 H ATOM 26 HE ARG A 4 -1.632 7.326 -7.055 1.00 0.00 H ATOM 27 1HH1 ARG A 4 -5.012 7.776 -6.069 1.00 0.00 H ATOM 28 2HH1 ARG A 4 -5.585 6.376 -6.943 1.00 0.00 H ATOM 29 1HH2 ARG A 4 -2.401 5.529 -8.232 1.00 0.00 H ATOM 30 2HH2 ARG A 4 -4.090 5.088 -8.177 1.00 0.00 H ATOM 31 N PRO A 5 2.543 7.396 -6.888 1.00 0.00 N ATOM 32 CA PRO A 5 2.875 6.591 -8.055 1.00 0.00 C ATOM 33 C PRO A 5 2.580 5.113 -7.779 1.00 0.00 C ATOM 34 O PRO A 5 3.491 4.298 -7.658 1.00 0.00 O ATOM 35 CB PRO A 5 4.362 6.868 -8.304 1.00 0.00 C ATOM 36 CG PRO A 5 4.904 7.078 -6.891 1.00 0.00 C ATOM 37 CD PRO A 5 3.755 7.809 -6.194 1.00 0.00 C ATOM 38 HA PRO A 5 2.306 6.913 -8.929 1.00 0.00 H ATOM 39 1HB PRO A 5 4.873 6.070 -8.842 1.00 0.00 H ATOM 40 2HB PRO A 5 4.460 7.801 -8.860 1.00 0.00 H ATOM 41 1HG PRO A 5 5.067 6.111 -6.413 1.00 0.00 H ATOM 42 2HG PRO A 5 5.828 7.659 -6.886 1.00 0.00 H ATOM 43 1HD PRO A 5 3.737 7.544 -5.137 1.00 0.00 H ATOM 44 2HD PRO A 5 3.893 8.884 -6.310 1.00 0.00 H ATOM 45 N LEU A 6 1.291 4.769 -7.681 1.00 0.00 N ATOM 46 CA LEU A 6 0.823 3.412 -7.426 1.00 0.00 C ATOM 47 C LEU A 6 0.596 2.628 -8.725 1.00 0.00 C ATOM 48 O LEU A 6 0.225 1.458 -8.663 1.00 0.00 O ATOM 49 CB LEU A 6 -0.463 3.458 -6.588 1.00 0.00 C ATOM 50 CG LEU A 6 -0.339 4.283 -5.294 1.00 0.00 C ATOM 51 CD1 LEU A 6 -1.671 4.240 -4.539 1.00 0.00 C ATOM 52 CD2 LEU A 6 0.773 3.758 -4.378 1.00 0.00 C ATOM 53 H LEU A 6 0.594 5.498 -7.765 1.00 0.00 H ATOM 54 HA LEU A 6 1.572 2.871 -6.852 1.00 0.00 H ATOM 55 1HB LEU A 6 -1.258 3.886 -7.198 1.00 0.00 H ATOM 56 2HB LEU A 6 -0.745 2.437 -6.324 1.00 0.00 H ATOM 57 HG LEU A 6 -0.130 5.323 -5.540 1.00 0.00 H ATOM 58 1HD1 LEU A 6 -2.468 4.629 -5.172 1.00 0.00 H ATOM 59 2HD1 LEU A 6 -1.907 3.213 -4.257 1.00 0.00 H ATOM 60 3HD1 LEU A 6 -1.607 4.851 -3.639 1.00 0.00 H ATOM 61 1HD2 LEU A 6 0.615 2.698 -4.182 1.00 0.00 H ATOM 62 2HD2 LEU A 6 1.750 3.904 -4.839 1.00 0.00 H ATOM 63 3HD2 LEU A 6 0.760 4.300 -3.432 1.00 0.00 H ATOM 64 N GLN A 7 0.797 3.256 -9.894 1.00 0.00 N ATOM 65 CA GLN A 7 0.491 2.674 -11.194 1.00 0.00 C ATOM 66 C GLN A 7 1.305 1.399 -11.427 1.00 0.00 C ATOM 67 O GLN A 7 0.730 0.322 -11.573 1.00 0.00 O ATOM 68 CB GLN A 7 0.735 3.724 -12.290 1.00 0.00 C ATOM 69 CG GLN A 7 0.378 3.232 -13.700 1.00 0.00 C ATOM 70 CD GLN A 7 -1.118 2.972 -13.861 1.00 0.00 C ATOM 71 OE1 GLN A 7 -1.863 3.876 -14.233 1.00 0.00 O ATOM 72 NE2 GLN A 7 -1.556 1.740 -13.579 1.00 0.00 N ATOM 73 H GLN A 7 1.119 4.212 -9.885 1.00 0.00 H ATOM 74 HA GLN A 7 -0.569 2.417 -11.189 1.00 0.00 H ATOM 75 1HB GLN A 7 0.136 4.609 -12.070 1.00 0.00 H ATOM 76 2HB GLN A 7 1.786 4.016 -12.282 1.00 0.00 H ATOM 77 1HG GLN A 7 0.664 4.009 -14.410 1.00 0.00 H ATOM 78 2HG GLN A 7 0.943 2.332 -13.946 1.00 0.00 H ATOM 79 1HE2 GLN A 7 -0.895 1.041 -13.268 1.00 0.00 H ATOM 80 N TRP A 8 2.637 1.531 -11.451 1.00 0.00 N ATOM 81 CA TRP A 8 3.577 0.423 -11.580 1.00 0.00 C ATOM 82 C TRP A 8 3.454 -0.537 -10.393 1.00 0.00 C ATOM 83 O TRP A 8 3.561 -1.751 -10.556 1.00 0.00 O ATOM 84 CB TRP A 8 5.006 0.979 -11.683 1.00 0.00 C ATOM 85 CG TRP A 8 5.514 1.683 -10.458 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.352 2.995 -10.178 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.174 1.109 -9.289 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.841 3.269 -8.918 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.336 2.133 -8.313 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.607 -0.187 -8.935 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.884 1.883 -7.045 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.175 -0.446 -7.674 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.318 0.586 -6.730 1.00 0.00 C ATOM 94 H TRP A 8 3.025 2.454 -11.328 1.00 0.00 H ATOM 95 HA TRP A 8 3.357 -0.118 -12.501 1.00 0.00 H ATOM 96 1HB TRP A 8 5.679 0.147 -11.892 1.00 0.00 H ATOM 97 2HB TRP A 8 5.055 1.665 -12.529 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.865 3.713 -10.821 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.799 4.166 -8.454 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.480 -0.996 -9.638 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.951 2.673 -6.312 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.483 -1.449 -7.420 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.736 0.372 -5.757 1.00 0.00 H ATOM 104 N LEU A 9 3.247 0.030 -9.199 1.00 0.00 N ATOM 105 CA LEU A 9 3.212 -0.671 -7.926 1.00 0.00 C ATOM 106 C LEU A 9 2.120 -1.742 -7.954 1.00 0.00 C ATOM 107 O LEU A 9 2.371 -2.897 -7.614 1.00 0.00 O ATOM 108 CB LEU A 9 3.002 0.372 -6.812 1.00 0.00 C ATOM 109 CG LEU A 9 3.794 0.091 -5.527 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.652 1.276 -4.567 1.00 0.00 C ATOM 111 CD2 LEU A 9 3.335 -1.189 -4.833 1.00 0.00 C ATOM 112 H LEU A 9 3.159 1.035 -9.168 1.00 0.00 H ATOM 113 HA LEU A 9 4.179 -1.154 -7.784 1.00 0.00 H ATOM 114 1HB LEU A 9 3.361 1.336 -7.174 1.00 0.00 H ATOM 115 2HB LEU A 9 1.940 0.467 -6.582 1.00 0.00 H ATOM 116 HG LEU A 9 4.849 -0.015 -5.773 1.00 0.00 H ATOM 117 1HD1 LEU A 9 3.992 2.189 -5.055 1.00 0.00 H ATOM 118 2HD1 LEU A 9 2.610 1.391 -4.271 1.00 0.00 H ATOM 119 3HD1 LEU A 9 4.258 1.109 -3.676 1.00 0.00 H ATOM 120 1HD2 LEU A 9 2.263 -1.153 -4.641 1.00 0.00 H ATOM 121 2HD2 LEU A 9 3.569 -2.040 -5.467 1.00 0.00 H ATOM 122 3HD2 LEU A 9 3.871 -1.296 -3.890 1.00 0.00 H ATOM 123 N ALA A 10 0.922 -1.357 -8.412 1.00 0.00 N ATOM 124 CA ALA A 10 -0.230 -2.233 -8.550 1.00 0.00 C ATOM 125 C ALA A 10 0.055 -3.449 -9.431 1.00 0.00 C ATOM 126 O ALA A 10 -0.431 -4.535 -9.126 1.00 0.00 O ATOM 127 CB ALA A 10 -1.415 -1.437 -9.103 1.00 0.00 C ATOM 128 H ALA A 10 0.797 -0.389 -8.677 1.00 0.00 H ATOM 129 HA ALA A 10 -0.487 -2.595 -7.556 1.00 0.00 H ATOM 130 1HB ALA A 10 -1.165 -1.022 -10.080 1.00 0.00 H ATOM 131 2HB ALA A 10 -2.281 -2.091 -9.209 1.00 0.00 H ATOM 132 3HB ALA A 10 -1.666 -0.623 -8.421 1.00 0.00 H ATOM 133 N GLU A 11 0.832 -3.278 -10.510 1.00 0.00 N ATOM 134 CA GLU A 11 1.135 -4.361 -11.439 1.00 0.00 C ATOM 135 C GLU A 11 1.877 -5.492 -10.729 1.00 0.00 C ATOM 136 O GLU A 11 1.609 -6.665 -10.981 1.00 0.00 O ATOM 137 CB GLU A 11 1.965 -3.868 -12.637 1.00 0.00 C ATOM 138 CG GLU A 11 1.398 -2.620 -13.323 1.00 0.00 C ATOM 139 CD GLU A 11 -0.099 -2.730 -13.590 1.00 0.00 C ATOM 140 OE1 GLU A 11 -0.864 -2.269 -12.716 1.00 0.00 O ATOM 141 OE2 GLU A 11 -0.452 -3.276 -14.658 1.00 0.00 O ATOM 142 H GLU A 11 1.222 -2.366 -10.699 1.00 0.00 H ATOM 143 HA GLU A 11 0.194 -4.754 -11.823 1.00 0.00 H ATOM 144 1HB GLU A 11 2.983 -3.649 -12.315 1.00 0.00 H ATOM 145 2HB GLU A 11 2.008 -4.674 -13.371 1.00 0.00 H ATOM 146 1HG GLU A 11 1.585 -1.754 -12.694 1.00 0.00 H ATOM 147 2HG GLU A 11 1.923 -2.467 -14.267 1.00 0.00 H ATOM 148 N LYS A 12 2.820 -5.124 -9.856 1.00 0.00 N ATOM 149 CA LYS A 12 3.692 -6.053 -9.161 1.00 0.00 C ATOM 150 C LYS A 12 2.994 -6.650 -7.937 1.00 0.00 C ATOM 151 O LYS A 12 2.999 -7.866 -7.758 1.00 0.00 O ATOM 152 CB LYS A 12 4.984 -5.330 -8.760 1.00 0.00 C ATOM 153 CG LYS A 12 5.757 -4.835 -9.989 1.00 0.00 C ATOM 154 CD LYS A 12 7.068 -4.169 -9.554 1.00 0.00 C ATOM 155 CE LYS A 12 7.798 -3.529 -10.740 1.00 0.00 C ATOM 156 NZ LYS A 12 8.207 -4.527 -11.741 1.00 0.00 N ATOM 157 H LYS A 12 2.961 -4.138 -9.683 1.00 0.00 H ATOM 158 HA LYS A 12 3.959 -6.869 -9.835 1.00 0.00 H ATOM 159 1HB LYS A 12 4.745 -4.474 -8.129 1.00 0.00 H ATOM 160 2HB LYS A 12 5.614 -6.021 -8.198 1.00 0.00 H ATOM 161 1HG LYS A 12 5.970 -5.683 -10.640 1.00 0.00 H ATOM 162 2HG LYS A 12 5.156 -4.107 -10.535 1.00 0.00 H ATOM 163 1HD LYS A 12 6.842 -3.389 -8.826 1.00 0.00 H ATOM 164 2HD LYS A 12 7.717 -4.907 -9.079 1.00 0.00 H ATOM 165 1HE LYS A 12 7.148 -2.795 -11.219 1.00 0.00 H ATOM 166 2HE LYS A 12 8.689 -3.019 -10.372 1.00 0.00 H ATOM 167 1HZ LYS A 12 8.808 -5.213 -11.308 1.00 0.00 H ATOM 168 2HZ LYS A 12 7.390 -4.986 -12.117 1.00 0.00 H ATOM 169 3HZ LYS A 12 8.706 -4.068 -12.490 1.00 0.00 H ATOM 170 N TYR A 13 2.433 -5.792 -7.076 1.00 0.00 N ATOM 171 CA TYR A 13 1.922 -6.185 -5.770 1.00 0.00 C ATOM 172 C TYR A 13 0.531 -6.803 -5.897 1.00 0.00 C ATOM 173 O TYR A 13 0.336 -7.964 -5.542 1.00 0.00 O ATOM 174 CB TYR A 13 1.885 -4.973 -4.823 1.00 0.00 C ATOM 175 CG TYR A 13 3.194 -4.583 -4.149 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.422 -4.614 -4.841 1.00 0.00 C ATOM 177 CD2 TYR A 13 3.165 -4.118 -2.819 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.603 -4.183 -4.213 1.00 0.00 C ATOM 179 CE2 TYR A 13 4.351 -3.714 -2.182 1.00 0.00 C ATOM 180 CZ TYR A 13 5.569 -3.734 -2.882 1.00 0.00 C ATOM 181 OH TYR A 13 6.713 -3.315 -2.270 1.00 0.00 O ATOM 182 H TYR A 13 2.451 -4.804 -7.293 1.00 0.00 H ATOM 183 HA TYR A 13 2.583 -6.934 -5.328 1.00 0.00 H ATOM 184 1HB TYR A 13 1.487 -4.106 -5.351 1.00 0.00 H ATOM 185 2HB TYR A 13 1.184 -5.219 -4.024 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.479 -4.951 -5.861 1.00 0.00 H ATOM 187 HD2 TYR A 13 2.230 -4.064 -2.282 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.535 -4.190 -4.760 1.00 0.00 H ATOM 189 HE2 TYR A 13 4.325 -3.375 -1.157 1.00 0.00 H ATOM 190 HH TYR A 13 7.485 -3.356 -2.840 1.00 0.00 H ATOM 191 N PHE A 14 -0.443 -6.010 -6.355 1.00 0.00 N ATOM 192 CA PHE A 14 -1.852 -6.382 -6.324 1.00 0.00 C ATOM 193 C PHE A 14 -2.174 -7.386 -7.431 1.00 0.00 C ATOM 194 O PHE A 14 -2.800 -8.412 -7.173 1.00 0.00 O ATOM 195 CB PHE A 14 -2.733 -5.125 -6.426 1.00 0.00 C ATOM 196 CG PHE A 14 -2.363 -3.959 -5.519 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.722 -4.167 -4.280 1.00 0.00 C ATOM 198 CD2 PHE A 14 -2.605 -2.642 -5.957 1.00 0.00 C ATOM 199 CE1 PHE A 14 -1.233 -3.073 -3.545 1.00 0.00 C ATOM 200 CE2 PHE A 14 -2.112 -1.548 -5.225 1.00 0.00 C ATOM 201 CZ PHE A 14 -1.420 -1.764 -4.022 1.00 0.00 C ATOM 202 H PHE A 14 -0.212 -5.073 -6.652 1.00 0.00 H ATOM 203 HA PHE A 14 -2.066 -6.863 -5.368 1.00 0.00 H ATOM 204 1HB PHE A 14 -2.693 -4.769 -7.456 1.00 0.00 H ATOM 205 2HB PHE A 14 -3.764 -5.411 -6.214 1.00 0.00 H ATOM 206 HD1 PHE A 14 -1.578 -5.164 -3.892 1.00 0.00 H ATOM 207 HD2 PHE A 14 -3.139 -2.467 -6.879 1.00 0.00 H ATOM 208 HE1 PHE A 14 -0.709 -3.238 -2.616 1.00 0.00 H ATOM 209 HE2 PHE A 14 -2.253 -0.542 -5.593 1.00 0.00 H ATOM 210 HZ PHE A 14 -1.041 -0.924 -3.457 1.00 0.00 H ATOM 211 N GLN A 15 -1.746 -7.082 -8.661 1.00 0.00 N ATOM 212 CA GLN A 15 -1.938 -7.930 -9.828 1.00 0.00 C ATOM 213 C GLN A 15 -0.780 -8.926 -9.939 1.00 0.00 C ATOM 214 O GLN A 15 0.241 -8.791 -9.268 1.00 0.00 O ATOM 215 CB GLN A 15 -2.038 -7.058 -11.087 1.00 0.00 C ATOM 216 CG GLN A 15 -3.199 -6.055 -11.004 1.00 0.00 C ATOM 217 CD GLN A 15 -3.263 -5.129 -12.218 1.00 0.00 C ATOM 218 OE1 GLN A 15 -2.601 -5.364 -13.227 1.00 0.00 O ATOM 219 NE2 GLN A 15 -4.066 -4.065 -12.100 1.00 0.00 N ATOM 220 H GLN A 15 -1.213 -6.232 -8.790 1.00 0.00 H ATOM 221 HA GLN A 15 -2.870 -8.488 -9.727 1.00 0.00 H ATOM 222 1HB GLN A 15 -1.102 -6.516 -11.213 1.00 0.00 H ATOM 223 2HB GLN A 15 -2.189 -7.700 -11.956 1.00 0.00 H ATOM 224 1HG GLN A 15 -4.139 -6.601 -10.928 1.00 0.00 H ATOM 225 2HG GLN A 15 -3.083 -5.431 -10.118 1.00 0.00 H ATOM 226 1HE2 GLN A 15 -4.565 -3.921 -11.236 1.00 0.00 H HETATM 227 N NH2 A 16 -0.941 -9.941 -10.791 1.00 0.00 N HETATM 228 1HN NH2 A 16 -0.203 -10.620 -10.902 1.00 0.00 H HETATM 229 2HN NH2 A 16 -1.797 -10.025 -11.320 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -4.205 -3.032 -13.109 1.00 0.00 C HETATM 232 C2 LNK A 17 -4.827 -1.793 -12.455 1.00 0.00 C HETATM 233 C3 LNK A 17 -4.600 -0.506 -13.254 1.00 0.00 C HETATM 234 C4 LNK A 17 -3.122 -0.096 -13.238 1.00 0.00 C HETATM 235 C5 LNK A 17 -2.960 1.366 -13.645 1.00 0.00 C HETATM 236 H11 LNK A 17 -4.845 -3.383 -13.919 1.00 0.00 H HETATM 237 H12 LNK A 17 -3.224 -2.799 -13.517 1.00 0.00 H HETATM 238 H21 LNK A 17 -5.899 -1.962 -12.349 1.00 0.00 H HETATM 239 H22 LNK A 17 -4.403 -1.653 -11.459 1.00 0.00 H HETATM 240 H31 LNK A 17 -4.945 -0.631 -14.281 1.00 0.00 H HETATM 241 H32 LNK A 17 -5.188 0.281 -12.779 1.00 0.00 H HETATM 242 H41 LNK A 17 -2.559 -0.713 -13.939 1.00 0.00 H HETATM 243 H42 LNK A 17 -2.716 -0.223 -12.233 1.00 0.00 H HETATM 244 H51 LNK A 17 -3.336 1.496 -14.660 1.00 0.00 H HETATM 245 H52 LNK A 17 -3.533 1.990 -12.958 1.00 0.00 H ENDMDL MODEL 2 HETATM 1 C ACE A 3 0.641 11.171 -7.607 1.00 0.00 C HETATM 2 O ACE A 3 0.089 10.642 -8.570 1.00 0.00 O HETATM 3 CH3 ACE A 3 1.012 12.647 -7.662 1.00 0.00 C HETATM 4 1H ACE A 3 2.091 12.757 -7.549 1.00 0.00 H HETATM 5 2H ACE A 3 0.708 13.071 -8.620 1.00 0.00 H HETATM 6 3H ACE A 3 0.505 13.181 -6.857 1.00 0.00 H ATOM 7 N ARG A 4 0.951 10.527 -6.473 1.00 0.00 N ATOM 8 CA ARG A 4 0.712 9.115 -6.191 1.00 0.00 C ATOM 9 C ARG A 4 0.981 8.197 -7.396 1.00 0.00 C ATOM 10 O ARG A 4 0.041 7.628 -7.951 1.00 0.00 O ATOM 11 CB ARG A 4 -0.670 8.906 -5.543 1.00 0.00 C ATOM 12 CG ARG A 4 -1.857 9.518 -6.303 1.00 0.00 C ATOM 13 CD ARG A 4 -3.185 9.069 -5.681 1.00 0.00 C ATOM 14 NE ARG A 4 -3.280 9.413 -4.254 1.00 0.00 N ATOM 15 CZ ARG A 4 -3.578 10.627 -3.761 1.00 0.00 C ATOM 16 NH1 ARG A 4 -3.814 11.665 -4.575 1.00 0.00 N ATOM 17 NH2 ARG A 4 -3.639 10.805 -2.435 1.00 0.00 N ATOM 18 H ARG A 4 1.396 11.061 -5.740 1.00 0.00 H ATOM 19 HA ARG A 4 1.418 8.822 -5.415 1.00 0.00 H ATOM 20 1HB ARG A 4 -0.836 7.835 -5.419 1.00 0.00 H ATOM 21 2HB ARG A 4 -0.637 9.356 -4.550 1.00 0.00 H ATOM 22 1HG ARG A 4 -1.794 10.606 -6.270 1.00 0.00 H ATOM 23 2HG ARG A 4 -1.847 9.199 -7.344 1.00 0.00 H ATOM 24 1HD ARG A 4 -4.015 9.514 -6.232 1.00 0.00 H ATOM 25 2HD ARG A 4 -3.266 7.985 -5.777 1.00 0.00 H ATOM 26 HE ARG A 4 -3.103 8.662 -3.602 1.00 0.00 H ATOM 27 1HH1 ARG A 4 -3.765 11.542 -5.576 1.00 0.00 H ATOM 28 2HH1 ARG A 4 -4.040 12.570 -4.191 1.00 0.00 H ATOM 29 1HH2 ARG A 4 -3.462 10.034 -1.809 1.00 0.00 H ATOM 30 2HH2 ARG A 4 -3.867 11.713 -2.057 1.00 0.00 H ATOM 31 N PRO A 5 2.255 8.020 -7.796 1.00 0.00 N ATOM 32 CA PRO A 5 2.651 7.080 -8.836 1.00 0.00 C ATOM 33 C PRO A 5 2.537 5.653 -8.293 1.00 0.00 C ATOM 34 O PRO A 5 3.529 5.039 -7.908 1.00 0.00 O ATOM 35 CB PRO A 5 4.086 7.472 -9.201 1.00 0.00 C ATOM 36 CG PRO A 5 4.637 8.025 -7.887 1.00 0.00 C ATOM 37 CD PRO A 5 3.421 8.715 -7.268 1.00 0.00 C ATOM 38 HA PRO A 5 2.022 7.175 -9.723 1.00 0.00 H ATOM 39 1HB PRO A 5 4.678 6.642 -9.590 1.00 0.00 H ATOM 40 2HB PRO A 5 4.055 8.279 -9.935 1.00 0.00 H ATOM 41 1HG PRO A 5 4.955 7.201 -7.246 1.00 0.00 H ATOM 42 2HG PRO A 5 5.466 8.715 -8.043 1.00 0.00 H ATOM 43 1HD PRO A 5 3.488 8.660 -6.182 1.00 0.00 H ATOM 44 2HD PRO A 5 3.395 9.756 -7.590 1.00 0.00 H ATOM 45 N LEU A 6 1.300 5.152 -8.241 1.00 0.00 N ATOM 46 CA LEU A 6 0.944 3.882 -7.630 1.00 0.00 C ATOM 47 C LEU A 6 1.019 2.736 -8.642 1.00 0.00 C ATOM 48 O LEU A 6 1.282 1.607 -8.241 1.00 0.00 O ATOM 49 CB LEU A 6 -0.461 4.015 -7.018 1.00 0.00 C ATOM 50 CG LEU A 6 -0.929 2.786 -6.218 1.00 0.00 C ATOM 51 CD1 LEU A 6 -0.075 2.568 -4.962 1.00 0.00 C ATOM 52 CD2 LEU A 6 -2.392 2.977 -5.803 1.00 0.00 C ATOM 53 H LEU A 6 0.540 5.747 -8.545 1.00 0.00 H ATOM 54 HA LEU A 6 1.653 3.683 -6.826 1.00 0.00 H ATOM 55 1HB LEU A 6 -0.473 4.879 -6.352 1.00 0.00 H ATOM 56 2HB LEU A 6 -1.170 4.199 -7.826 1.00 0.00 H ATOM 57 HG LEU A 6 -0.881 1.894 -6.841 1.00 0.00 H ATOM 58 1HD1 LEU A 6 -0.081 3.467 -4.346 1.00 0.00 H ATOM 59 2HD1 LEU A 6 -0.478 1.736 -4.384 1.00 0.00 H ATOM 60 3HD1 LEU A 6 0.951 2.328 -5.234 1.00 0.00 H ATOM 61 1HD2 LEU A 6 -3.012 3.133 -6.687 1.00 0.00 H ATOM 62 2HD2 LEU A 6 -2.746 2.088 -5.281 1.00 0.00 H ATOM 63 3HD2 LEU A 6 -2.484 3.840 -5.145 1.00 0.00 H ATOM 64 N GLN A 7 0.778 3.020 -9.932 1.00 0.00 N ATOM 65 CA GLN A 7 0.646 2.047 -11.015 1.00 0.00 C ATOM 66 C GLN A 7 1.641 0.886 -10.929 1.00 0.00 C ATOM 67 O GLN A 7 1.218 -0.266 -10.862 1.00 0.00 O ATOM 68 CB GLN A 7 0.752 2.763 -12.374 1.00 0.00 C ATOM 69 CG GLN A 7 -0.635 3.061 -12.961 1.00 0.00 C ATOM 70 CD GLN A 7 -1.356 1.795 -13.432 1.00 0.00 C ATOM 71 OE1 GLN A 7 -0.722 0.775 -13.695 1.00 0.00 O ATOM 72 NE2 GLN A 7 -2.688 1.864 -13.541 1.00 0.00 N ATOM 73 H GLN A 7 0.579 3.980 -10.171 1.00 0.00 H ATOM 74 HA GLN A 7 -0.349 1.610 -10.923 1.00 0.00 H ATOM 75 1HB GLN A 7 1.301 3.698 -12.257 1.00 0.00 H ATOM 76 2HB GLN A 7 1.306 2.149 -13.087 1.00 0.00 H ATOM 77 1HG GLN A 7 -1.238 3.576 -12.212 1.00 0.00 H ATOM 78 2HG GLN A 7 -0.517 3.719 -13.823 1.00 0.00 H ATOM 79 1HE2 GLN A 7 -3.158 2.728 -13.312 1.00 0.00 H ATOM 80 N TRP A 8 2.947 1.178 -10.927 1.00 0.00 N ATOM 81 CA TRP A 8 3.988 0.154 -10.873 1.00 0.00 C ATOM 82 C TRP A 8 3.758 -0.815 -9.704 1.00 0.00 C ATOM 83 O TRP A 8 3.852 -2.027 -9.876 1.00 0.00 O ATOM 84 CB TRP A 8 5.372 0.815 -10.783 1.00 0.00 C ATOM 85 CG TRP A 8 5.665 1.492 -9.479 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.291 2.745 -9.142 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.268 0.921 -8.278 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.586 2.982 -7.816 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.181 1.882 -7.230 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.836 -0.332 -7.956 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.621 1.610 -5.926 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.309 -0.603 -6.659 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.199 0.362 -5.643 1.00 0.00 C ATOM 94 H TRP A 8 3.230 2.147 -10.970 1.00 0.00 H ATOM 95 HA TRP A 8 3.950 -0.412 -11.805 1.00 0.00 H ATOM 96 1HB TRP A 8 6.124 0.038 -10.927 1.00 0.00 H ATOM 97 2HB TRP A 8 5.479 1.534 -11.596 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.778 3.436 -9.794 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.362 3.832 -7.317 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.911 -1.093 -8.718 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.490 2.339 -5.141 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.759 -1.560 -6.442 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.547 0.140 -4.645 1.00 0.00 H ATOM 104 N LEU A 9 3.435 -0.263 -8.528 1.00 0.00 N ATOM 105 CA LEU A 9 3.207 -0.988 -7.288 1.00 0.00 C ATOM 106 C LEU A 9 1.956 -1.853 -7.447 1.00 0.00 C ATOM 107 O LEU A 9 1.987 -3.050 -7.171 1.00 0.00 O ATOM 108 CB LEU A 9 3.070 0.032 -6.140 1.00 0.00 C ATOM 109 CG LEU A 9 3.618 -0.444 -4.785 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.662 0.739 -3.810 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.757 -1.545 -4.164 1.00 0.00 C ATOM 112 H LEU A 9 3.309 0.739 -8.498 1.00 0.00 H ATOM 113 HA LEU A 9 4.077 -1.621 -7.105 1.00 0.00 H ATOM 114 1HB LEU A 9 3.640 0.922 -6.407 1.00 0.00 H ATOM 115 2HB LEU A 9 2.029 0.331 -6.023 1.00 0.00 H ATOM 116 HG LEU A 9 4.633 -0.820 -4.917 1.00 0.00 H ATOM 117 1HD1 LEU A 9 4.267 1.545 -4.224 1.00 0.00 H ATOM 118 2HD1 LEU A 9 2.653 1.112 -3.629 1.00 0.00 H ATOM 119 3HD1 LEU A 9 4.101 0.425 -2.863 1.00 0.00 H ATOM 120 1HD2 LEU A 9 1.734 -1.191 -4.044 1.00 0.00 H ATOM 121 2HD2 LEU A 9 2.762 -2.425 -4.797 1.00 0.00 H ATOM 122 3HD2 LEU A 9 3.166 -1.814 -3.190 1.00 0.00 H ATOM 123 N ALA A 10 0.865 -1.239 -7.924 1.00 0.00 N ATOM 124 CA ALA A 10 -0.417 -1.891 -8.125 1.00 0.00 C ATOM 125 C ALA A 10 -0.272 -3.137 -8.994 1.00 0.00 C ATOM 126 O ALA A 10 -0.644 -4.223 -8.557 1.00 0.00 O ATOM 127 CB ALA A 10 -1.424 -0.904 -8.721 1.00 0.00 C ATOM 128 H ALA A 10 0.931 -0.258 -8.159 1.00 0.00 H ATOM 129 HA ALA A 10 -0.790 -2.192 -7.148 1.00 0.00 H ATOM 130 1HB ALA A 10 -1.547 -0.057 -8.048 1.00 0.00 H ATOM 131 2HB ALA A 10 -1.081 -0.544 -9.691 1.00 0.00 H ATOM 132 3HB ALA A 10 -2.389 -1.396 -8.848 1.00 0.00 H ATOM 133 N GLU A 11 0.280 -2.989 -10.205 1.00 0.00 N ATOM 134 CA GLU A 11 0.419 -4.097 -11.141 1.00 0.00 C ATOM 135 C GLU A 11 1.370 -5.164 -10.600 1.00 0.00 C ATOM 136 O GLU A 11 1.054 -6.351 -10.658 1.00 0.00 O ATOM 137 CB GLU A 11 0.882 -3.612 -12.524 1.00 0.00 C ATOM 138 CG GLU A 11 -0.002 -2.524 -13.152 1.00 0.00 C ATOM 139 CD GLU A 11 -1.492 -2.807 -12.995 1.00 0.00 C ATOM 140 OE1 GLU A 11 -2.016 -3.600 -13.805 1.00 0.00 O ATOM 141 OE2 GLU A 11 -2.082 -2.228 -12.056 1.00 0.00 O ATOM 142 H GLU A 11 0.589 -2.071 -10.498 1.00 0.00 H ATOM 143 HA GLU A 11 -0.559 -4.561 -11.254 1.00 0.00 H ATOM 144 1HB GLU A 11 1.903 -3.231 -12.456 1.00 0.00 H ATOM 145 2HB GLU A 11 0.882 -4.474 -13.194 1.00 0.00 H ATOM 146 1HG GLU A 11 0.219 -1.564 -12.694 1.00 0.00 H ATOM 147 2HG GLU A 11 0.238 -2.448 -14.213 1.00 0.00 H ATOM 148 N LYS A 12 2.535 -4.744 -10.090 1.00 0.00 N ATOM 149 CA LYS A 12 3.580 -5.648 -9.632 1.00 0.00 C ATOM 150 C LYS A 12 3.091 -6.550 -8.497 1.00 0.00 C ATOM 151 O LYS A 12 3.243 -7.767 -8.576 1.00 0.00 O ATOM 152 CB LYS A 12 4.816 -4.834 -9.222 1.00 0.00 C ATOM 153 CG LYS A 12 5.961 -5.719 -8.717 1.00 0.00 C ATOM 154 CD LYS A 12 7.227 -4.878 -8.520 1.00 0.00 C ATOM 155 CE LYS A 12 8.340 -5.682 -7.838 1.00 0.00 C ATOM 156 NZ LYS A 12 8.750 -6.845 -8.643 1.00 0.00 N ATOM 157 H LYS A 12 2.730 -3.751 -10.059 1.00 0.00 H ATOM 158 HA LYS A 12 3.865 -6.283 -10.472 1.00 0.00 H ATOM 159 1HB LYS A 12 5.167 -4.282 -10.095 1.00 0.00 H ATOM 160 2HB LYS A 12 4.547 -4.123 -8.440 1.00 0.00 H ATOM 161 1HG LYS A 12 5.682 -6.176 -7.766 1.00 0.00 H ATOM 162 2HG LYS A 12 6.155 -6.504 -9.449 1.00 0.00 H ATOM 163 1HD LYS A 12 7.579 -4.516 -9.487 1.00 0.00 H ATOM 164 2HD LYS A 12 6.993 -4.016 -7.894 1.00 0.00 H ATOM 165 1HE LYS A 12 9.206 -5.035 -7.696 1.00 0.00 H ATOM 166 2HE LYS A 12 7.998 -6.027 -6.862 1.00 0.00 H ATOM 167 1HZ LYS A 12 9.061 -6.535 -9.553 1.00 0.00 H ATOM 168 2HZ LYS A 12 9.505 -7.328 -8.177 1.00 0.00 H ATOM 169 3HZ LYS A 12 7.968 -7.474 -8.752 1.00 0.00 H ATOM 170 N TYR A 13 2.536 -5.955 -7.436 1.00 0.00 N ATOM 171 CA TYR A 13 2.206 -6.672 -6.212 1.00 0.00 C ATOM 172 C TYR A 13 0.801 -7.276 -6.250 1.00 0.00 C ATOM 173 O TYR A 13 0.631 -8.417 -5.823 1.00 0.00 O ATOM 174 CB TYR A 13 2.396 -5.752 -4.999 1.00 0.00 C ATOM 175 CG TYR A 13 3.854 -5.487 -4.663 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.574 -4.484 -5.340 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.518 -6.304 -3.728 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.931 -4.269 -5.052 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.879 -6.096 -3.447 1.00 0.00 C ATOM 180 CZ TYR A 13 6.587 -5.079 -4.112 1.00 0.00 C ATOM 181 OH TYR A 13 7.911 -4.879 -3.851 1.00 0.00 O ATOM 182 H TYR A 13 2.412 -4.951 -7.441 1.00 0.00 H ATOM 183 HA TYR A 13 2.908 -7.498 -6.082 1.00 0.00 H ATOM 184 1HB TYR A 13 1.875 -4.809 -5.165 1.00 0.00 H ATOM 185 2HB TYR A 13 1.934 -6.228 -4.133 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.094 -3.879 -6.089 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.988 -7.103 -3.230 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.470 -3.483 -5.559 1.00 0.00 H ATOM 189 HE2 TYR A 13 6.379 -6.722 -2.724 1.00 0.00 H ATOM 190 HH TYR A 13 8.261 -5.479 -3.188 1.00 0.00 H ATOM 191 N PHE A 14 -0.203 -6.524 -6.724 1.00 0.00 N ATOM 192 CA PHE A 14 -1.607 -6.907 -6.601 1.00 0.00 C ATOM 193 C PHE A 14 -2.189 -7.375 -7.939 1.00 0.00 C ATOM 194 O PHE A 14 -2.503 -8.554 -8.096 1.00 0.00 O ATOM 195 CB PHE A 14 -2.405 -5.745 -5.983 1.00 0.00 C ATOM 196 CG PHE A 14 -1.753 -5.089 -4.775 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.219 -5.873 -3.734 1.00 0.00 C ATOM 198 CD2 PHE A 14 -1.604 -3.689 -4.733 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.472 -5.270 -2.707 1.00 0.00 C ATOM 200 CE2 PHE A 14 -0.855 -3.086 -3.708 1.00 0.00 C ATOM 201 CZ PHE A 14 -0.269 -3.879 -2.707 1.00 0.00 C ATOM 202 H PHE A 14 -0.002 -5.608 -7.103 1.00 0.00 H ATOM 203 HA PHE A 14 -1.704 -7.746 -5.910 1.00 0.00 H ATOM 204 1HB PHE A 14 -2.554 -4.977 -6.742 1.00 0.00 H ATOM 205 2HB PHE A 14 -3.387 -6.115 -5.687 1.00 0.00 H ATOM 206 HD1 PHE A 14 -1.357 -6.944 -3.727 1.00 0.00 H ATOM 207 HD2 PHE A 14 -2.067 -3.070 -5.486 1.00 0.00 H ATOM 208 HE1 PHE A 14 -0.042 -5.877 -1.923 1.00 0.00 H ATOM 209 HE2 PHE A 14 -0.732 -2.013 -3.688 1.00 0.00 H ATOM 210 HZ PHE A 14 0.324 -3.419 -1.930 1.00 0.00 H ATOM 211 N GLN A 15 -2.358 -6.452 -8.892 1.00 0.00 N ATOM 212 CA GLN A 15 -3.044 -6.685 -10.156 1.00 0.00 C ATOM 213 C GLN A 15 -2.050 -7.228 -11.187 1.00 0.00 C ATOM 214 O GLN A 15 -1.771 -6.596 -12.204 1.00 0.00 O ATOM 215 CB GLN A 15 -3.732 -5.377 -10.581 1.00 0.00 C ATOM 216 CG GLN A 15 -4.686 -5.548 -11.774 1.00 0.00 C ATOM 217 CD GLN A 15 -5.499 -4.282 -12.043 1.00 0.00 C ATOM 218 OE1 GLN A 15 -6.721 -4.344 -12.163 1.00 0.00 O ATOM 219 NE2 GLN A 15 -4.814 -3.137 -12.134 1.00 0.00 N ATOM 220 H GLN A 15 -2.018 -5.516 -8.716 1.00 0.00 H ATOM 221 HA GLN A 15 -3.825 -7.432 -10.005 1.00 0.00 H ATOM 222 1HB GLN A 15 -4.323 -5.015 -9.737 1.00 0.00 H ATOM 223 2HB GLN A 15 -2.972 -4.631 -10.811 1.00 0.00 H ATOM 224 1HG GLN A 15 -4.126 -5.791 -12.677 1.00 0.00 H ATOM 225 2HG GLN A 15 -5.377 -6.366 -11.563 1.00 0.00 H ATOM 226 1HE2 GLN A 15 -3.807 -3.169 -12.044 1.00 0.00 H HETATM 227 N NH2 A 16 -1.509 -8.419 -10.921 1.00 0.00 N HETATM 228 1HN NH2 A 16 -1.757 -8.896 -10.064 1.00 0.00 H HETATM 229 2HN NH2 A 16 -0.837 -8.821 -11.559 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -5.401 -1.830 -12.368 1.00 0.00 C HETATM 232 C2 LNK A 17 -5.467 -1.560 -13.875 1.00 0.00 C HETATM 233 C3 LNK A 17 -5.885 -0.120 -14.208 1.00 0.00 C HETATM 234 C4 LNK A 17 -4.966 0.972 -13.638 1.00 0.00 C HETATM 235 C5 LNK A 17 -3.495 0.747 -14.002 1.00 0.00 C HETATM 236 H11 LNK A 17 -4.756 -1.100 -11.882 1.00 0.00 H HETATM 237 H12 LNK A 17 -6.398 -1.762 -11.929 1.00 0.00 H HETATM 238 H21 LNK A 17 -4.499 -1.776 -14.328 1.00 0.00 H HETATM 239 H22 LNK A 17 -6.198 -2.240 -14.315 1.00 0.00 H HETATM 240 H31 LNK A 17 -5.901 -0.022 -15.295 1.00 0.00 H HETATM 241 H32 LNK A 17 -6.897 0.048 -13.836 1.00 0.00 H HETATM 242 H41 LNK A 17 -5.069 1.021 -12.554 1.00 0.00 H HETATM 243 H42 LNK A 17 -5.287 1.930 -14.050 1.00 0.00 H HETATM 244 H51 LNK A 17 -3.136 -0.167 -13.529 1.00 0.00 H HETATM 245 H52 LNK A 17 -3.394 0.656 -15.084 1.00 0.00 H ENDMDL MODEL 3 HETATM 1 C ACE A 3 1.616 10.972 -6.530 1.00 0.00 C HETATM 2 O ACE A 3 1.398 10.771 -5.337 1.00 0.00 O HETATM 3 CH3 ACE A 3 2.315 12.251 -6.975 1.00 0.00 C HETATM 4 1H ACE A 3 2.569 12.857 -6.105 1.00 0.00 H HETATM 5 2H ACE A 3 3.228 12.002 -7.517 1.00 0.00 H HETATM 6 3H ACE A 3 1.651 12.821 -7.625 1.00 0.00 H ATOM 7 N ARG A 4 1.265 10.118 -7.500 1.00 0.00 N ATOM 8 CA ARG A 4 0.551 8.867 -7.273 1.00 0.00 C ATOM 9 C ARG A 4 1.229 7.733 -8.050 1.00 0.00 C ATOM 10 O ARG A 4 0.698 7.291 -9.069 1.00 0.00 O ATOM 11 CB ARG A 4 -0.920 9.033 -7.691 1.00 0.00 C ATOM 12 CG ARG A 4 -1.656 10.041 -6.801 1.00 0.00 C ATOM 13 CD ARG A 4 -3.147 10.070 -7.155 1.00 0.00 C ATOM 14 NE ARG A 4 -3.891 10.985 -6.280 1.00 0.00 N ATOM 15 CZ ARG A 4 -3.900 12.325 -6.384 1.00 0.00 C ATOM 16 NH1 ARG A 4 -3.192 12.950 -7.335 1.00 0.00 N ATOM 17 NH2 ARG A 4 -4.630 13.045 -5.522 1.00 0.00 N ATOM 18 H ARG A 4 1.489 10.357 -8.455 1.00 0.00 H ATOM 19 HA ARG A 4 0.556 8.602 -6.216 1.00 0.00 H ATOM 20 1HB ARG A 4 -0.976 9.362 -8.730 1.00 0.00 H ATOM 21 2HB ARG A 4 -1.421 8.068 -7.603 1.00 0.00 H ATOM 22 1HG ARG A 4 -1.544 9.752 -5.755 1.00 0.00 H ATOM 23 2HG ARG A 4 -1.229 11.033 -6.941 1.00 0.00 H ATOM 24 1HD ARG A 4 -3.279 10.358 -8.198 1.00 0.00 H ATOM 25 2HD ARG A 4 -3.561 9.070 -7.022 1.00 0.00 H ATOM 26 HE ARG A 4 -4.441 10.559 -5.548 1.00 0.00 H ATOM 27 1HH1 ARG A 4 -2.640 12.413 -7.988 1.00 0.00 H ATOM 28 2HH1 ARG A 4 -3.206 13.957 -7.401 1.00 0.00 H ATOM 29 1HH2 ARG A 4 -5.168 12.581 -4.805 1.00 0.00 H ATOM 30 2HH2 ARG A 4 -4.646 14.053 -5.587 1.00 0.00 H ATOM 31 N PRO A 5 2.384 7.226 -7.582 1.00 0.00 N ATOM 32 CA PRO A 5 3.121 6.152 -8.236 1.00 0.00 C ATOM 33 C PRO A 5 2.541 4.785 -7.843 1.00 0.00 C ATOM 34 O PRO A 5 3.268 3.889 -7.416 1.00 0.00 O ATOM 35 CB PRO A 5 4.560 6.348 -7.750 1.00 0.00 C ATOM 36 CG PRO A 5 4.353 6.814 -6.310 1.00 0.00 C ATOM 37 CD PRO A 5 3.120 7.712 -6.424 1.00 0.00 C ATOM 38 HA PRO A 5 3.091 6.253 -9.322 1.00 0.00 H ATOM 39 1HB PRO A 5 5.178 5.455 -7.821 1.00 0.00 H ATOM 40 2HB PRO A 5 5.022 7.155 -8.321 1.00 0.00 H ATOM 41 1HG PRO A 5 4.125 5.955 -5.678 1.00 0.00 H ATOM 42 2HG PRO A 5 5.221 7.348 -5.921 1.00 0.00 H ATOM 43 1HD PRO A 5 2.529 7.654 -5.509 1.00 0.00 H ATOM 44 2HD PRO A 5 3.445 8.738 -6.598 1.00 0.00 H ATOM 45 N LEU A 6 1.220 4.630 -7.987 1.00 0.00 N ATOM 46 CA LEU A 6 0.489 3.416 -7.648 1.00 0.00 C ATOM 47 C LEU A 6 0.416 2.467 -8.846 1.00 0.00 C ATOM 48 O LEU A 6 0.172 1.280 -8.652 1.00 0.00 O ATOM 49 CB LEU A 6 -0.926 3.769 -7.157 1.00 0.00 C ATOM 50 CG LEU A 6 -1.028 4.277 -5.706 1.00 0.00 C ATOM 51 CD1 LEU A 6 -0.654 3.198 -4.681 1.00 0.00 C ATOM 52 CD2 LEU A 6 -0.218 5.552 -5.446 1.00 0.00 C ATOM 53 H LEU A 6 0.685 5.402 -8.363 1.00 0.00 H ATOM 54 HA LEU A 6 1.010 2.882 -6.855 1.00 0.00 H ATOM 55 1HB LEU A 6 -1.355 4.517 -7.826 1.00 0.00 H ATOM 56 2HB LEU A 6 -1.549 2.876 -7.223 1.00 0.00 H ATOM 57 HG LEU A 6 -2.078 4.526 -5.541 1.00 0.00 H ATOM 58 1HD1 LEU A 6 -1.223 2.288 -4.873 1.00 0.00 H ATOM 59 2HD1 LEU A 6 0.411 2.971 -4.721 1.00 0.00 H ATOM 60 3HD1 LEU A 6 -0.893 3.555 -3.679 1.00 0.00 H ATOM 61 1HD2 LEU A 6 -0.466 6.300 -6.196 1.00 0.00 H ATOM 62 2HD2 LEU A 6 -0.468 5.946 -4.461 1.00 0.00 H ATOM 63 3HD2 LEU A 6 0.851 5.343 -5.473 1.00 0.00 H ATOM 64 N GLN A 7 0.609 2.973 -10.072 1.00 0.00 N ATOM 65 CA GLN A 7 0.508 2.189 -11.296 1.00 0.00 C ATOM 66 C GLN A 7 1.463 0.993 -11.262 1.00 0.00 C ATOM 67 O GLN A 7 1.011 -0.151 -11.306 1.00 0.00 O ATOM 68 CB GLN A 7 0.758 3.108 -12.503 1.00 0.00 C ATOM 69 CG GLN A 7 0.772 2.379 -13.854 1.00 0.00 C ATOM 70 CD GLN A 7 -0.510 1.591 -14.116 1.00 0.00 C ATOM 71 OE1 GLN A 7 -1.508 2.157 -14.557 1.00 0.00 O ATOM 72 NE2 GLN A 7 -0.466 0.282 -13.845 1.00 0.00 N ATOM 73 H GLN A 7 0.797 3.960 -10.167 1.00 0.00 H ATOM 74 HA GLN A 7 -0.514 1.812 -11.358 1.00 0.00 H ATOM 75 1HB GLN A 7 -0.026 3.866 -12.528 1.00 0.00 H ATOM 76 2HB GLN A 7 1.717 3.614 -12.381 1.00 0.00 H ATOM 77 1HG GLN A 7 0.883 3.125 -14.641 1.00 0.00 H ATOM 78 2HG GLN A 7 1.632 1.710 -13.906 1.00 0.00 H ATOM 79 1HE2 GLN A 7 0.384 -0.100 -13.455 1.00 0.00 H ATOM 80 N TRP A 8 2.774 1.251 -11.175 1.00 0.00 N ATOM 81 CA TRP A 8 3.785 0.201 -11.137 1.00 0.00 C ATOM 82 C TRP A 8 3.581 -0.714 -9.926 1.00 0.00 C ATOM 83 O TRP A 8 3.791 -1.919 -10.018 1.00 0.00 O ATOM 84 CB TRP A 8 5.199 0.807 -11.129 1.00 0.00 C ATOM 85 CG TRP A 8 5.672 1.352 -9.812 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.558 2.633 -9.398 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.248 0.622 -8.684 1.00 0.00 C ATOM 88 NE1 TRP A 8 6.017 2.750 -8.103 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.436 1.534 -7.606 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.582 -0.729 -8.442 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.933 1.132 -6.357 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.043 -1.151 -7.181 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.239 -0.221 -6.146 1.00 0.00 C ATOM 94 H TRP A 8 3.085 2.211 -11.129 1.00 0.00 H ATOM 95 HA TRP A 8 3.685 -0.392 -12.048 1.00 0.00 H ATOM 96 1HB TRP A 8 5.896 0.017 -11.415 1.00 0.00 H ATOM 97 2HB TRP A 8 5.260 1.588 -11.888 1.00 0.00 H ATOM 98 HD1 TRP A 8 5.136 3.441 -9.977 1.00 0.00 H ATOM 99 HE1 TRP A 8 6.016 3.597 -7.553 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.443 -1.460 -9.226 1.00 0.00 H ATOM 101 HZ2 TRP A 8 7.051 1.850 -5.559 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.222 -2.199 -6.997 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.609 -0.551 -5.185 1.00 0.00 H ATOM 104 N LEU A 9 3.205 -0.122 -8.786 1.00 0.00 N ATOM 105 CA LEU A 9 3.150 -0.783 -7.493 1.00 0.00 C ATOM 106 C LEU A 9 2.025 -1.819 -7.488 1.00 0.00 C ATOM 107 O LEU A 9 2.246 -2.975 -7.132 1.00 0.00 O ATOM 108 CB LEU A 9 3.021 0.303 -6.408 1.00 0.00 C ATOM 109 CG LEU A 9 3.567 -0.117 -5.034 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.923 1.127 -4.210 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.548 -0.937 -4.243 1.00 0.00 C ATOM 112 H LEU A 9 3.040 0.874 -8.799 1.00 0.00 H ATOM 113 HA LEU A 9 4.096 -1.304 -7.346 1.00 0.00 H ATOM 114 1HB LEU A 9 3.624 1.152 -6.733 1.00 0.00 H ATOM 115 2HB LEU A 9 1.989 0.645 -6.325 1.00 0.00 H ATOM 116 HG LEU A 9 4.476 -0.705 -5.166 1.00 0.00 H ATOM 117 1HD1 LEU A 9 4.670 1.726 -4.730 1.00 0.00 H ATOM 118 2HD1 LEU A 9 3.034 1.737 -4.047 1.00 0.00 H ATOM 119 3HD1 LEU A 9 4.331 0.825 -3.245 1.00 0.00 H ATOM 120 1HD2 LEU A 9 2.228 -1.807 -4.808 1.00 0.00 H ATOM 121 2HD2 LEU A 9 3.001 -1.272 -3.310 1.00 0.00 H ATOM 122 3HD2 LEU A 9 1.681 -0.317 -4.023 1.00 0.00 H ATOM 123 N ALA A 10 0.832 -1.414 -7.934 1.00 0.00 N ATOM 124 CA ALA A 10 -0.310 -2.297 -8.104 1.00 0.00 C ATOM 125 C ALA A 10 -0.026 -3.364 -9.161 1.00 0.00 C ATOM 126 O ALA A 10 -0.321 -4.535 -8.940 1.00 0.00 O ATOM 127 CB ALA A 10 -1.551 -1.480 -8.472 1.00 0.00 C ATOM 128 H ALA A 10 0.722 -0.451 -8.218 1.00 0.00 H ATOM 129 HA ALA A 10 -0.492 -2.790 -7.152 1.00 0.00 H ATOM 130 1HB ALA A 10 -1.762 -0.754 -7.685 1.00 0.00 H ATOM 131 2HB ALA A 10 -1.389 -0.951 -9.411 1.00 0.00 H ATOM 132 3HB ALA A 10 -2.409 -2.144 -8.581 1.00 0.00 H ATOM 133 N GLU A 11 0.556 -2.969 -10.300 1.00 0.00 N ATOM 134 CA GLU A 11 0.910 -3.893 -11.370 1.00 0.00 C ATOM 135 C GLU A 11 1.864 -4.982 -10.868 1.00 0.00 C ATOM 136 O GLU A 11 1.701 -6.151 -11.215 1.00 0.00 O ATOM 137 CB GLU A 11 1.490 -3.103 -12.549 1.00 0.00 C ATOM 138 CG GLU A 11 1.675 -3.974 -13.795 1.00 0.00 C ATOM 139 CD GLU A 11 2.162 -3.139 -14.975 1.00 0.00 C ATOM 140 OE1 GLU A 11 1.316 -2.425 -15.555 1.00 0.00 O ATOM 141 OE2 GLU A 11 3.375 -3.222 -15.272 1.00 0.00 O ATOM 142 H GLU A 11 0.773 -1.989 -10.432 1.00 0.00 H ATOM 143 HA GLU A 11 -0.003 -4.377 -11.708 1.00 0.00 H ATOM 144 1HB GLU A 11 0.795 -2.301 -12.799 1.00 0.00 H ATOM 145 2HB GLU A 11 2.447 -2.663 -12.268 1.00 0.00 H ATOM 146 1HG GLU A 11 2.401 -4.763 -13.591 1.00 0.00 H ATOM 147 2HG GLU A 11 0.722 -4.435 -14.059 1.00 0.00 H ATOM 148 N LYS A 12 2.839 -4.597 -10.037 1.00 0.00 N ATOM 149 CA LYS A 12 3.815 -5.496 -9.446 1.00 0.00 C ATOM 150 C LYS A 12 3.149 -6.439 -8.441 1.00 0.00 C ATOM 151 O LYS A 12 3.177 -7.654 -8.629 1.00 0.00 O ATOM 152 CB LYS A 12 4.934 -4.662 -8.798 1.00 0.00 C ATOM 153 CG LYS A 12 5.984 -5.490 -8.042 1.00 0.00 C ATOM 154 CD LYS A 12 6.704 -6.544 -8.895 1.00 0.00 C ATOM 155 CE LYS A 12 7.400 -5.963 -10.132 1.00 0.00 C ATOM 156 NZ LYS A 12 8.322 -4.867 -9.786 1.00 0.00 N ATOM 157 H LYS A 12 2.914 -3.616 -9.804 1.00 0.00 H ATOM 158 HA LYS A 12 4.252 -6.094 -10.247 1.00 0.00 H ATOM 159 1HB LYS A 12 5.429 -4.071 -9.568 1.00 0.00 H ATOM 160 2HB LYS A 12 4.495 -3.966 -8.083 1.00 0.00 H ATOM 161 1HG LYS A 12 6.720 -4.806 -7.618 1.00 0.00 H ATOM 162 2HG LYS A 12 5.505 -6.005 -7.211 1.00 0.00 H ATOM 163 1HD LYS A 12 7.452 -7.030 -8.266 1.00 0.00 H ATOM 164 2HD LYS A 12 5.992 -7.307 -9.211 1.00 0.00 H ATOM 165 1HE LYS A 12 7.971 -6.757 -10.615 1.00 0.00 H ATOM 166 2HE LYS A 12 6.659 -5.595 -10.841 1.00 0.00 H ATOM 167 1HZ LYS A 12 9.017 -5.203 -9.135 1.00 0.00 H ATOM 168 2HZ LYS A 12 8.777 -4.533 -10.623 1.00 0.00 H ATOM 169 3HZ LYS A 12 7.804 -4.110 -9.363 1.00 0.00 H ATOM 170 N TYR A 13 2.590 -5.881 -7.360 1.00 0.00 N ATOM 171 CA TYR A 13 2.115 -6.644 -6.214 1.00 0.00 C ATOM 172 C TYR A 13 0.617 -6.933 -6.298 1.00 0.00 C ATOM 173 O TYR A 13 0.214 -8.095 -6.269 1.00 0.00 O ATOM 174 CB TYR A 13 2.451 -5.887 -4.923 1.00 0.00 C ATOM 175 CG TYR A 13 3.929 -5.598 -4.735 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.831 -6.653 -4.503 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.409 -4.278 -4.816 1.00 0.00 C ATOM 178 CE1 TYR A 13 6.202 -6.385 -4.340 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.779 -4.011 -4.664 1.00 0.00 C ATOM 180 CZ TYR A 13 6.677 -5.064 -4.423 1.00 0.00 C ATOM 181 OH TYR A 13 8.007 -4.800 -4.270 1.00 0.00 O ATOM 182 H TYR A 13 2.582 -4.873 -7.284 1.00 0.00 H ATOM 183 HA TYR A 13 2.636 -7.602 -6.172 1.00 0.00 H ATOM 184 1HB TYR A 13 1.902 -4.944 -4.911 1.00 0.00 H ATOM 185 2HB TYR A 13 2.110 -6.481 -4.074 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.476 -7.672 -4.462 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.728 -3.464 -4.996 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.888 -7.199 -4.156 1.00 0.00 H ATOM 189 HE2 TYR A 13 6.140 -2.995 -4.727 1.00 0.00 H ATOM 190 HH TYR A 13 8.530 -5.581 -4.078 1.00 0.00 H ATOM 191 N PHE A 14 -0.207 -5.880 -6.360 1.00 0.00 N ATOM 192 CA PHE A 14 -1.656 -5.983 -6.223 1.00 0.00 C ATOM 193 C PHE A 14 -2.303 -6.356 -7.559 1.00 0.00 C ATOM 194 O PHE A 14 -3.083 -5.586 -8.119 1.00 0.00 O ATOM 195 CB PHE A 14 -2.229 -4.680 -5.636 1.00 0.00 C ATOM 196 CG PHE A 14 -1.450 -4.064 -4.484 1.00 0.00 C ATOM 197 CD1 PHE A 14 -0.807 -4.874 -3.526 1.00 0.00 C ATOM 198 CD2 PHE A 14 -1.347 -2.663 -4.387 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.005 -4.290 -2.530 1.00 0.00 C ATOM 200 CE2 PHE A 14 -0.583 -2.078 -3.364 1.00 0.00 C ATOM 201 CZ PHE A 14 0.107 -2.891 -2.449 1.00 0.00 C ATOM 202 H PHE A 14 0.192 -4.955 -6.433 1.00 0.00 H ATOM 203 HA PHE A 14 -1.888 -6.780 -5.515 1.00 0.00 H ATOM 204 1HB PHE A 14 -2.291 -3.939 -6.431 1.00 0.00 H ATOM 205 2HB PHE A 14 -3.247 -4.876 -5.296 1.00 0.00 H ATOM 206 HD1 PHE A 14 -0.900 -5.950 -3.560 1.00 0.00 H ATOM 207 HD2 PHE A 14 -1.854 -2.027 -5.098 1.00 0.00 H ATOM 208 HE1 PHE A 14 0.526 -4.917 -1.829 1.00 0.00 H ATOM 209 HE2 PHE A 14 -0.524 -1.003 -3.284 1.00 0.00 H ATOM 210 HZ PHE A 14 0.717 -2.441 -1.680 1.00 0.00 H ATOM 211 N GLN A 15 -1.970 -7.550 -8.059 1.00 0.00 N ATOM 212 CA GLN A 15 -2.468 -8.078 -9.319 1.00 0.00 C ATOM 213 C GLN A 15 -2.752 -9.573 -9.170 1.00 0.00 C ATOM 214 O GLN A 15 -3.860 -10.026 -9.448 1.00 0.00 O ATOM 215 CB GLN A 15 -1.444 -7.796 -10.429 1.00 0.00 C ATOM 216 CG GLN A 15 -2.057 -7.956 -11.826 1.00 0.00 C ATOM 217 CD GLN A 15 -3.096 -6.874 -12.118 1.00 0.00 C ATOM 218 OE1 GLN A 15 -4.278 -7.168 -12.287 1.00 0.00 O ATOM 219 NE2 GLN A 15 -2.636 -5.621 -12.169 1.00 0.00 N ATOM 220 H GLN A 15 -1.309 -8.114 -7.540 1.00 0.00 H ATOM 221 HA GLN A 15 -3.409 -7.584 -9.561 1.00 0.00 H ATOM 222 1HB GLN A 15 -1.066 -6.778 -10.324 1.00 0.00 H ATOM 223 2HB GLN A 15 -0.596 -8.476 -10.328 1.00 0.00 H ATOM 224 1HG GLN A 15 -1.261 -7.876 -12.568 1.00 0.00 H ATOM 225 2HG GLN A 15 -2.515 -8.942 -11.919 1.00 0.00 H ATOM 226 1HE2 GLN A 15 -1.650 -5.473 -12.015 1.00 0.00 H HETATM 227 N NH2 A 16 -1.758 -10.345 -8.723 1.00 0.00 N HETATM 228 1HN NH2 A 16 -0.859 -9.939 -8.505 1.00 0.00 H HETATM 229 2HN NH2 A 16 -1.910 -11.336 -8.606 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -3.458 -4.450 -12.416 1.00 0.00 C HETATM 232 C2 LNK A 17 -2.557 -3.214 -12.412 1.00 0.00 C HETATM 233 C3 LNK A 17 -3.339 -1.934 -12.728 1.00 0.00 C HETATM 234 C4 LNK A 17 -2.404 -0.718 -12.744 1.00 0.00 C HETATM 235 C5 LNK A 17 -1.572 -0.642 -14.030 1.00 0.00 C HETATM 236 H11 LNK A 17 -4.215 -4.357 -11.636 1.00 0.00 H HETATM 237 H12 LNK A 17 -3.944 -4.544 -13.388 1.00 0.00 H HETATM 238 H21 LNK A 17 -2.102 -3.115 -11.426 1.00 0.00 H HETATM 239 H22 LNK A 17 -1.773 -3.368 -13.152 1.00 0.00 H HETATM 240 H31 LNK A 17 -3.844 -2.026 -13.690 1.00 0.00 H HETATM 241 H32 LNK A 17 -4.090 -1.789 -11.949 1.00 0.00 H HETATM 242 H41 LNK A 17 -1.744 -0.770 -11.877 1.00 0.00 H HETATM 243 H42 LNK A 17 -3.002 0.192 -12.670 1.00 0.00 H HETATM 244 H51 LNK A 17 -1.141 -1.612 -14.269 1.00 0.00 H HETATM 245 H52 LNK A 17 -2.204 -0.336 -14.866 1.00 0.00 H ENDMDL MODEL 4 HETATM 1 C ACE A 3 1.410 10.478 -5.402 1.00 0.00 C HETATM 2 O ACE A 3 2.070 10.703 -6.415 1.00 0.00 O HETATM 3 CH3 ACE A 3 0.281 11.414 -4.992 1.00 0.00 C HETATM 4 1H ACE A 3 0.482 11.814 -3.998 1.00 0.00 H HETATM 5 2H ACE A 3 0.201 12.236 -5.704 1.00 0.00 H HETATM 6 3H ACE A 3 -0.659 10.862 -4.977 1.00 0.00 H ATOM 7 N ARG A 4 1.620 9.419 -4.613 1.00 0.00 N ATOM 8 CA ARG A 4 2.611 8.392 -4.901 1.00 0.00 C ATOM 9 C ARG A 4 2.172 7.609 -6.149 1.00 0.00 C ATOM 10 O ARG A 4 0.985 7.316 -6.283 1.00 0.00 O ATOM 11 CB ARG A 4 2.740 7.470 -3.679 1.00 0.00 C ATOM 12 CG ARG A 4 3.950 6.532 -3.785 1.00 0.00 C ATOM 13 CD ARG A 4 4.074 5.631 -2.555 1.00 0.00 C ATOM 14 NE ARG A 4 2.975 4.661 -2.484 1.00 0.00 N ATOM 15 CZ ARG A 4 2.813 3.772 -1.491 1.00 0.00 C ATOM 16 NH1 ARG A 4 3.662 3.745 -0.454 1.00 0.00 N ATOM 17 NH2 ARG A 4 1.795 2.902 -1.535 1.00 0.00 N ATOM 18 H ARG A 4 1.035 9.292 -3.800 1.00 0.00 H ATOM 19 HA ARG A 4 3.563 8.899 -5.056 1.00 0.00 H ATOM 20 1HB ARG A 4 2.868 8.084 -2.786 1.00 0.00 H ATOM 21 2HB ARG A 4 1.825 6.887 -3.568 1.00 0.00 H ATOM 22 1HG ARG A 4 3.870 5.904 -4.673 1.00 0.00 H ATOM 23 2HG ARG A 4 4.856 7.136 -3.853 1.00 0.00 H ATOM 24 1HD ARG A 4 5.017 5.085 -2.621 1.00 0.00 H ATOM 25 2HD ARG A 4 4.087 6.249 -1.656 1.00 0.00 H ATOM 26 HE ARG A 4 2.314 4.663 -3.247 1.00 0.00 H ATOM 27 1HH1 ARG A 4 4.423 4.407 -0.409 1.00 0.00 H ATOM 28 2HH1 ARG A 4 3.540 3.071 0.288 1.00 0.00 H ATOM 29 1HH2 ARG A 4 1.147 2.916 -2.309 1.00 0.00 H ATOM 30 2HH2 ARG A 4 1.674 2.228 -0.793 1.00 0.00 H ATOM 31 N PRO A 5 3.088 7.264 -7.070 1.00 0.00 N ATOM 32 CA PRO A 5 2.766 6.465 -8.243 1.00 0.00 C ATOM 33 C PRO A 5 2.415 5.032 -7.831 1.00 0.00 C ATOM 34 O PRO A 5 3.300 4.237 -7.524 1.00 0.00 O ATOM 35 CB PRO A 5 4.001 6.548 -9.146 1.00 0.00 C ATOM 36 CG PRO A 5 5.148 6.821 -8.175 1.00 0.00 C ATOM 37 CD PRO A 5 4.486 7.666 -7.089 1.00 0.00 C ATOM 38 HA PRO A 5 1.923 6.891 -8.788 1.00 0.00 H ATOM 39 1HB PRO A 5 4.157 5.647 -9.739 1.00 0.00 H ATOM 40 2HB PRO A 5 3.898 7.410 -9.806 1.00 0.00 H ATOM 41 1HG PRO A 5 5.498 5.885 -7.740 1.00 0.00 H ATOM 42 2HG PRO A 5 5.977 7.344 -8.653 1.00 0.00 H ATOM 43 1HD PRO A 5 4.992 7.491 -6.142 1.00 0.00 H ATOM 44 2HD PRO A 5 4.547 8.722 -7.356 1.00 0.00 H ATOM 45 N LEU A 6 1.114 4.713 -7.829 1.00 0.00 N ATOM 46 CA LEU A 6 0.592 3.376 -7.564 1.00 0.00 C ATOM 47 C LEU A 6 0.456 2.546 -8.848 1.00 0.00 C ATOM 48 O LEU A 6 0.053 1.390 -8.767 1.00 0.00 O ATOM 49 CB LEU A 6 -0.759 3.472 -6.829 1.00 0.00 C ATOM 50 CG LEU A 6 -0.615 3.410 -5.299 1.00 0.00 C ATOM 51 CD1 LEU A 6 0.134 4.622 -4.739 1.00 0.00 C ATOM 52 CD2 LEU A 6 -2.005 3.324 -4.657 1.00 0.00 C ATOM 53 H LEU A 6 0.444 5.440 -8.039 1.00 0.00 H ATOM 54 HA LEU A 6 1.286 2.836 -6.921 1.00 0.00 H ATOM 55 1HB LEU A 6 -1.286 4.381 -7.125 1.00 0.00 H ATOM 56 2HB LEU A 6 -1.382 2.624 -7.115 1.00 0.00 H ATOM 57 HG LEU A 6 -0.066 2.506 -5.031 1.00 0.00 H ATOM 58 1HD1 LEU A 6 -0.386 5.539 -5.014 1.00 0.00 H ATOM 59 2HD1 LEU A 6 0.177 4.556 -3.653 1.00 0.00 H ATOM 60 3HD1 LEU A 6 1.153 4.650 -5.125 1.00 0.00 H ATOM 61 1HD2 LEU A 6 -2.536 2.446 -5.030 1.00 0.00 H ATOM 62 2HD2 LEU A 6 -1.909 3.238 -3.575 1.00 0.00 H ATOM 63 3HD2 LEU A 6 -2.582 4.217 -4.896 1.00 0.00 H ATOM 64 N GLN A 7 0.775 3.103 -10.025 1.00 0.00 N ATOM 65 CA GLN A 7 0.607 2.413 -11.298 1.00 0.00 C ATOM 66 C GLN A 7 1.471 1.149 -11.355 1.00 0.00 C ATOM 67 O GLN A 7 0.946 0.042 -11.481 1.00 0.00 O ATOM 68 CB GLN A 7 0.924 3.382 -12.449 1.00 0.00 C ATOM 69 CG GLN A 7 0.820 2.741 -13.841 1.00 0.00 C ATOM 70 CD GLN A 7 -0.567 2.165 -14.117 1.00 0.00 C ATOM 71 OE1 GLN A 7 -1.439 2.869 -14.622 1.00 0.00 O ATOM 72 NE2 GLN A 7 -0.760 0.883 -13.784 1.00 0.00 N ATOM 73 H GLN A 7 1.102 4.057 -10.048 1.00 0.00 H ATOM 74 HA GLN A 7 -0.442 2.119 -11.369 1.00 0.00 H ATOM 75 1HB GLN A 7 0.230 4.222 -12.403 1.00 0.00 H ATOM 76 2HB GLN A 7 1.936 3.770 -12.327 1.00 0.00 H ATOM 77 1HG GLN A 7 1.026 3.511 -14.585 1.00 0.00 H ATOM 78 2HG GLN A 7 1.573 1.960 -13.956 1.00 0.00 H ATOM 79 1HE2 GLN A 7 0.000 0.374 -13.351 1.00 0.00 H ATOM 80 N TRP A 8 2.794 1.320 -11.262 1.00 0.00 N ATOM 81 CA TRP A 8 3.751 0.218 -11.270 1.00 0.00 C ATOM 82 C TRP A 8 3.544 -0.689 -10.050 1.00 0.00 C ATOM 83 O TRP A 8 3.705 -1.905 -10.138 1.00 0.00 O ATOM 84 CB TRP A 8 5.180 0.783 -11.295 1.00 0.00 C ATOM 85 CG TRP A 8 5.591 1.472 -10.031 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.343 2.764 -9.729 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.162 0.887 -8.822 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.676 3.009 -8.413 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.160 1.875 -7.797 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.618 -0.400 -8.469 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.564 1.596 -6.484 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.049 -0.686 -7.160 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.012 0.305 -6.164 1.00 0.00 C ATOM 94 H TRP A 8 3.149 2.259 -11.143 1.00 0.00 H ATOM 95 HA TRP A 8 3.599 -0.365 -12.178 1.00 0.00 H ATOM 96 1HB TRP A 8 5.873 -0.040 -11.473 1.00 0.00 H ATOM 97 2HB TRP A 8 5.272 1.481 -12.129 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.872 3.474 -10.392 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.516 3.877 -7.923 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.619 -1.174 -9.217 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.505 2.358 -5.721 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.397 -1.676 -6.913 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.319 0.068 -5.155 1.00 0.00 H ATOM 104 N LEU A 9 3.202 -0.080 -8.907 1.00 0.00 N ATOM 105 CA LEU A 9 3.055 -0.749 -7.626 1.00 0.00 C ATOM 106 C LEU A 9 1.916 -1.763 -7.721 1.00 0.00 C ATOM 107 O LEU A 9 2.101 -2.933 -7.399 1.00 0.00 O ATOM 108 CB LEU A 9 2.839 0.318 -6.535 1.00 0.00 C ATOM 109 CG LEU A 9 3.366 -0.075 -5.146 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.434 1.175 -4.259 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.467 -1.106 -4.462 1.00 0.00 C ATOM 112 H LEU A 9 3.086 0.922 -8.919 1.00 0.00 H ATOM 113 HA LEU A 9 3.985 -1.279 -7.421 1.00 0.00 H ATOM 114 1HB LEU A 9 3.394 1.208 -6.832 1.00 0.00 H ATOM 115 2HB LEU A 9 1.783 0.583 -6.468 1.00 0.00 H ATOM 116 HG LEU A 9 4.374 -0.482 -5.236 1.00 0.00 H ATOM 117 1HD1 LEU A 9 4.096 1.918 -4.704 1.00 0.00 H ATOM 118 2HD1 LEU A 9 2.439 1.606 -4.147 1.00 0.00 H ATOM 119 3HD1 LEU A 9 3.823 0.910 -3.276 1.00 0.00 H ATOM 120 1HD2 LEU A 9 1.452 -0.717 -4.390 1.00 0.00 H ATOM 121 2HD2 LEU A 9 2.461 -2.034 -5.024 1.00 0.00 H ATOM 122 3HD2 LEU A 9 2.848 -1.309 -3.461 1.00 0.00 H ATOM 123 N ALA A 10 0.753 -1.328 -8.217 1.00 0.00 N ATOM 124 CA ALA A 10 -0.407 -2.179 -8.409 1.00 0.00 C ATOM 125 C ALA A 10 -0.133 -3.304 -9.404 1.00 0.00 C ATOM 126 O ALA A 10 -0.606 -4.418 -9.192 1.00 0.00 O ATOM 127 CB ALA A 10 -1.603 -1.337 -8.855 1.00 0.00 C ATOM 128 H ALA A 10 0.671 -0.359 -8.489 1.00 0.00 H ATOM 129 HA ALA A 10 -0.642 -2.633 -7.448 1.00 0.00 H ATOM 130 1HB ALA A 10 -1.804 -0.562 -8.115 1.00 0.00 H ATOM 131 2HB ALA A 10 -1.394 -0.872 -9.818 1.00 0.00 H ATOM 132 3HB ALA A 10 -2.481 -1.977 -8.947 1.00 0.00 H ATOM 133 N GLU A 11 0.617 -3.029 -10.479 1.00 0.00 N ATOM 134 CA GLU A 11 0.989 -4.054 -11.446 1.00 0.00 C ATOM 135 C GLU A 11 1.775 -5.181 -10.773 1.00 0.00 C ATOM 136 O GLU A 11 1.432 -6.349 -10.941 1.00 0.00 O ATOM 137 CB GLU A 11 1.792 -3.449 -12.607 1.00 0.00 C ATOM 138 CG GLU A 11 0.892 -2.761 -13.642 1.00 0.00 C ATOM 139 CD GLU A 11 0.020 -3.734 -14.440 1.00 0.00 C ATOM 140 OE1 GLU A 11 -0.938 -3.241 -15.072 1.00 0.00 O ATOM 141 OE2 GLU A 11 0.328 -4.947 -14.426 1.00 0.00 O ATOM 142 H GLU A 11 0.973 -2.091 -10.611 1.00 0.00 H ATOM 143 HA GLU A 11 0.072 -4.489 -11.842 1.00 0.00 H ATOM 144 1HB GLU A 11 2.499 -2.718 -12.219 1.00 0.00 H ATOM 145 2HB GLU A 11 2.364 -4.233 -13.106 1.00 0.00 H ATOM 146 1HG GLU A 11 0.256 -2.034 -13.139 1.00 0.00 H ATOM 147 2HG GLU A 11 1.528 -2.229 -14.349 1.00 0.00 H ATOM 148 N LYS A 12 2.830 -4.836 -10.025 1.00 0.00 N ATOM 149 CA LYS A 12 3.711 -5.823 -9.413 1.00 0.00 C ATOM 150 C LYS A 12 3.047 -6.529 -8.225 1.00 0.00 C ATOM 151 O LYS A 12 3.001 -7.757 -8.191 1.00 0.00 O ATOM 152 CB LYS A 12 5.028 -5.163 -8.986 1.00 0.00 C ATOM 153 CG LYS A 12 5.849 -4.681 -10.187 1.00 0.00 C ATOM 154 CD LYS A 12 7.180 -4.107 -9.689 1.00 0.00 C ATOM 155 CE LYS A 12 7.925 -3.397 -10.823 1.00 0.00 C ATOM 156 NZ LYS A 12 9.158 -2.757 -10.334 1.00 0.00 N ATOM 157 H LYS A 12 3.062 -3.857 -9.918 1.00 0.00 H ATOM 158 HA LYS A 12 3.954 -6.583 -10.158 1.00 0.00 H ATOM 159 1HB LYS A 12 4.816 -4.311 -8.341 1.00 0.00 H ATOM 160 2HB LYS A 12 5.621 -5.890 -8.429 1.00 0.00 H ATOM 161 1HG LYS A 12 6.043 -5.511 -10.868 1.00 0.00 H ATOM 162 2HG LYS A 12 5.295 -3.908 -10.719 1.00 0.00 H ATOM 163 1HD LYS A 12 6.980 -3.397 -8.888 1.00 0.00 H ATOM 164 2HD LYS A 12 7.798 -4.913 -9.292 1.00 0.00 H ATOM 165 1HE LYS A 12 8.183 -4.121 -11.596 1.00 0.00 H ATOM 166 2HE LYS A 12 7.286 -2.627 -11.258 1.00 0.00 H ATOM 167 1HZ LYS A 12 9.764 -3.454 -9.927 1.00 0.00 H ATOM 168 2HZ LYS A 12 9.632 -2.310 -11.107 1.00 0.00 H ATOM 169 3HZ LYS A 12 8.927 -2.063 -9.637 1.00 0.00 H ATOM 170 N TYR A 13 2.582 -5.760 -7.234 1.00 0.00 N ATOM 171 CA TYR A 13 2.121 -6.279 -5.952 1.00 0.00 C ATOM 172 C TYR A 13 0.694 -6.819 -6.045 1.00 0.00 C ATOM 173 O TYR A 13 0.466 -8.001 -5.797 1.00 0.00 O ATOM 174 CB TYR A 13 2.202 -5.190 -4.870 1.00 0.00 C ATOM 175 CG TYR A 13 3.603 -4.826 -4.399 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.475 -4.095 -5.227 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.015 -5.171 -3.097 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.756 -3.739 -4.772 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.295 -4.812 -2.639 1.00 0.00 C ATOM 180 CZ TYR A 13 6.163 -4.087 -3.474 1.00 0.00 C ATOM 181 OH TYR A 13 7.395 -3.714 -3.022 1.00 0.00 O ATOM 182 H TYR A 13 2.618 -4.757 -7.345 1.00 0.00 H ATOM 183 HA TYR A 13 2.771 -7.100 -5.643 1.00 0.00 H ATOM 184 1HB TYR A 13 1.695 -4.293 -5.221 1.00 0.00 H ATOM 185 2HB TYR A 13 1.644 -5.550 -4.005 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.168 -3.786 -6.211 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.346 -5.703 -2.436 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.425 -3.194 -5.419 1.00 0.00 H ATOM 189 HE2 TYR A 13 5.603 -5.085 -1.641 1.00 0.00 H ATOM 190 HH TYR A 13 7.564 -3.991 -2.119 1.00 0.00 H ATOM 191 N PHE A 14 -0.273 -5.942 -6.343 1.00 0.00 N ATOM 192 CA PHE A 14 -1.691 -6.272 -6.246 1.00 0.00 C ATOM 193 C PHE A 14 -2.100 -7.260 -7.343 1.00 0.00 C ATOM 194 O PHE A 14 -2.828 -8.213 -7.073 1.00 0.00 O ATOM 195 CB PHE A 14 -2.549 -4.995 -6.289 1.00 0.00 C ATOM 196 CG PHE A 14 -2.165 -3.863 -5.342 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.357 -4.083 -4.207 1.00 0.00 C ATOM 198 CD2 PHE A 14 -2.578 -2.551 -5.648 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.881 -2.995 -3.456 1.00 0.00 C ATOM 200 CE2 PHE A 14 -2.100 -1.462 -4.898 1.00 0.00 C ATOM 201 CZ PHE A 14 -1.247 -1.684 -3.804 1.00 0.00 C ATOM 202 H PHE A 14 -0.023 -4.987 -6.555 1.00 0.00 H ATOM 203 HA PHE A 14 -1.871 -6.756 -5.284 1.00 0.00 H ATOM 204 1HB PHE A 14 -2.518 -4.603 -7.306 1.00 0.00 H ATOM 205 2HB PHE A 14 -3.581 -5.273 -6.075 1.00 0.00 H ATOM 206 HD1 PHE A 14 -1.074 -5.080 -3.906 1.00 0.00 H ATOM 207 HD2 PHE A 14 -3.229 -2.371 -6.490 1.00 0.00 H ATOM 208 HE1 PHE A 14 -0.224 -3.167 -2.616 1.00 0.00 H ATOM 209 HE2 PHE A 14 -2.373 -0.453 -5.172 1.00 0.00 H ATOM 210 HZ PHE A 14 -0.873 -0.847 -3.233 1.00 0.00 H ATOM 211 N GLN A 15 -1.628 -7.024 -8.572 1.00 0.00 N ATOM 212 CA GLN A 15 -1.905 -7.839 -9.748 1.00 0.00 C ATOM 213 C GLN A 15 -0.737 -8.793 -10.013 1.00 0.00 C ATOM 214 O GLN A 15 0.306 -8.716 -9.366 1.00 0.00 O ATOM 215 CB GLN A 15 -2.152 -6.913 -10.947 1.00 0.00 C ATOM 216 CG GLN A 15 -3.428 -6.084 -10.751 1.00 0.00 C ATOM 217 CD GLN A 15 -3.517 -4.947 -11.761 1.00 0.00 C ATOM 218 OE1 GLN A 15 -4.203 -5.067 -12.774 1.00 0.00 O ATOM 219 NE2 GLN A 15 -2.830 -3.838 -11.462 1.00 0.00 N ATOM 220 H GLN A 15 -1.022 -6.225 -8.703 1.00 0.00 H ATOM 221 HA GLN A 15 -2.803 -8.437 -9.591 1.00 0.00 H ATOM 222 1HB GLN A 15 -1.294 -6.252 -11.066 1.00 0.00 H ATOM 223 2HB GLN A 15 -2.262 -7.499 -11.860 1.00 0.00 H ATOM 224 1HG GLN A 15 -4.294 -6.738 -10.865 1.00 0.00 H ATOM 225 2HG GLN A 15 -3.458 -5.650 -9.751 1.00 0.00 H ATOM 226 1HE2 GLN A 15 -2.280 -3.828 -10.614 1.00 0.00 H HETATM 227 N NH2 A 16 -0.913 -9.709 -10.968 1.00 0.00 N HETATM 228 1HN NH2 A 16 -0.170 -10.359 -11.178 1.00 0.00 H HETATM 229 2HN NH2 A 16 -1.781 -9.745 -11.482 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -2.838 -2.636 -12.278 1.00 0.00 C HETATM 232 C2 LNK A 17 -4.023 -1.741 -11.896 1.00 0.00 C HETATM 233 C3 LNK A 17 -4.163 -0.511 -12.804 1.00 0.00 C HETATM 234 C4 LNK A 17 -2.936 0.413 -12.767 1.00 0.00 C HETATM 235 C5 LNK A 17 -2.013 0.171 -13.967 1.00 0.00 C HETATM 236 H11 LNK A 17 -2.905 -2.903 -13.333 1.00 0.00 H HETATM 237 H12 LNK A 17 -1.906 -2.104 -12.097 1.00 0.00 H HETATM 238 H21 LNK A 17 -4.945 -2.320 -11.971 1.00 0.00 H HETATM 239 H22 LNK A 17 -3.909 -1.410 -10.864 1.00 0.00 H HETATM 240 H31 LNK A 17 -4.363 -0.825 -13.829 1.00 0.00 H HETATM 241 H32 LNK A 17 -5.026 0.055 -12.449 1.00 0.00 H HETATM 242 H41 LNK A 17 -2.391 0.267 -11.833 1.00 0.00 H HETATM 243 H42 LNK A 17 -3.276 1.449 -12.805 1.00 0.00 H HETATM 244 H51 LNK A 17 -1.785 -0.887 -14.060 1.00 0.00 H HETATM 245 H52 LNK A 17 -2.507 0.495 -14.885 1.00 0.00 H ENDMDL MODEL 5 HETATM 1 C ACE A 3 -0.028 11.612 -9.697 1.00 0.00 C HETATM 2 O ACE A 3 -0.255 12.028 -8.562 1.00 0.00 O HETATM 3 CH3 ACE A 3 0.203 12.590 -10.842 1.00 0.00 C HETATM 4 1H ACE A 3 1.193 12.426 -11.269 1.00 0.00 H HETATM 5 2H ACE A 3 -0.553 12.436 -11.612 1.00 0.00 H HETATM 6 3H ACE A 3 0.138 13.615 -10.476 1.00 0.00 H ATOM 7 N ARG A 4 0.029 10.311 -10.005 1.00 0.00 N ATOM 8 CA ARG A 4 -0.169 9.235 -9.044 1.00 0.00 C ATOM 9 C ARG A 4 0.695 8.039 -9.458 1.00 0.00 C ATOM 10 O ARG A 4 0.200 7.135 -10.131 1.00 0.00 O ATOM 11 CB ARG A 4 -1.664 8.882 -8.974 1.00 0.00 C ATOM 12 CG ARG A 4 -1.948 7.835 -7.887 1.00 0.00 C ATOM 13 CD ARG A 4 -3.436 7.475 -7.827 1.00 0.00 C ATOM 14 NE ARG A 4 -4.267 8.639 -7.494 1.00 0.00 N ATOM 15 CZ ARG A 4 -4.413 9.169 -6.268 1.00 0.00 C ATOM 16 NH1 ARG A 4 -3.802 8.632 -5.202 1.00 0.00 N ATOM 17 NH2 ARG A 4 -5.179 10.257 -6.109 1.00 0.00 N ATOM 18 H ARG A 4 0.217 10.049 -10.962 1.00 0.00 H ATOM 19 HA ARG A 4 0.123 9.567 -8.048 1.00 0.00 H ATOM 20 1HB ARG A 4 -2.220 9.791 -8.740 1.00 0.00 H ATOM 21 2HB ARG A 4 -2.006 8.511 -9.941 1.00 0.00 H ATOM 22 1HG ARG A 4 -1.396 6.921 -8.099 1.00 0.00 H ATOM 23 2HG ARG A 4 -1.623 8.220 -6.920 1.00 0.00 H ATOM 24 1HD ARG A 4 -3.747 7.096 -8.802 1.00 0.00 H ATOM 25 2HD ARG A 4 -3.592 6.682 -7.094 1.00 0.00 H ATOM 26 HE ARG A 4 -4.748 9.080 -8.264 1.00 0.00 H ATOM 27 1HH1 ARG A 4 -3.217 7.816 -5.313 1.00 0.00 H ATOM 28 2HH1 ARG A 4 -3.919 9.043 -4.288 1.00 0.00 H ATOM 29 1HH2 ARG A 4 -5.638 10.672 -6.907 1.00 0.00 H ATOM 30 2HH2 ARG A 4 -5.295 10.668 -5.195 1.00 0.00 H ATOM 31 N PRO A 5 1.980 8.000 -9.062 1.00 0.00 N ATOM 32 CA PRO A 5 2.881 6.898 -9.365 1.00 0.00 C ATOM 33 C PRO A 5 2.670 5.759 -8.358 1.00 0.00 C ATOM 34 O PRO A 5 3.614 5.303 -7.717 1.00 0.00 O ATOM 35 CB PRO A 5 4.279 7.519 -9.281 1.00 0.00 C ATOM 36 CG PRO A 5 4.115 8.527 -8.145 1.00 0.00 C ATOM 37 CD PRO A 5 2.690 9.050 -8.347 1.00 0.00 C ATOM 38 HA PRO A 5 2.721 6.515 -10.374 1.00 0.00 H ATOM 39 1HB PRO A 5 5.075 6.798 -9.094 1.00 0.00 H ATOM 40 2HB PRO A 5 4.485 8.059 -10.206 1.00 0.00 H ATOM 41 1HG PRO A 5 4.184 8.002 -7.191 1.00 0.00 H ATOM 42 2HG PRO A 5 4.860 9.322 -8.189 1.00 0.00 H ATOM 43 1HD PRO A 5 2.239 9.262 -7.377 1.00 0.00 H ATOM 44 2HD PRO A 5 2.713 9.953 -8.958 1.00 0.00 H ATOM 45 N LEU A 6 1.416 5.315 -8.213 1.00 0.00 N ATOM 46 CA LEU A 6 1.029 4.122 -7.474 1.00 0.00 C ATOM 47 C LEU A 6 0.998 2.904 -8.403 1.00 0.00 C ATOM 48 O LEU A 6 1.191 1.781 -7.946 1.00 0.00 O ATOM 49 CB LEU A 6 -0.339 4.371 -6.823 1.00 0.00 C ATOM 50 CG LEU A 6 -0.845 3.220 -5.936 1.00 0.00 C ATOM 51 CD1 LEU A 6 0.087 2.940 -4.749 1.00 0.00 C ATOM 52 CD2 LEU A 6 -2.236 3.582 -5.407 1.00 0.00 C ATOM 53 H LEU A 6 0.694 5.759 -8.763 1.00 0.00 H ATOM 54 HA LEU A 6 1.763 3.945 -6.689 1.00 0.00 H ATOM 55 1HB LEU A 6 -0.274 5.275 -6.215 1.00 0.00 H ATOM 56 2HB LEU A 6 -1.069 4.541 -7.615 1.00 0.00 H ATOM 57 HG LEU A 6 -0.943 2.311 -6.530 1.00 0.00 H ATOM 58 1HD1 LEU A 6 0.236 3.848 -4.165 1.00 0.00 H ATOM 59 2HD1 LEU A 6 -0.353 2.174 -4.109 1.00 0.00 H ATOM 60 3HD1 LEU A 6 1.052 2.575 -5.095 1.00 0.00 H ATOM 61 1HD2 LEU A 6 -2.915 3.752 -6.243 1.00 0.00 H ATOM 62 2HD2 LEU A 6 -2.624 2.765 -4.798 1.00 0.00 H ATOM 63 3HD2 LEU A 6 -2.182 4.486 -4.799 1.00 0.00 H ATOM 64 N GLN A 7 0.726 3.132 -9.697 1.00 0.00 N ATOM 65 CA GLN A 7 0.443 2.108 -10.695 1.00 0.00 C ATOM 66 C GLN A 7 1.473 0.979 -10.709 1.00 0.00 C ATOM 67 O GLN A 7 1.089 -0.186 -10.708 1.00 0.00 O ATOM 68 CB GLN A 7 0.306 2.742 -12.089 1.00 0.00 C ATOM 69 CG GLN A 7 -0.698 3.905 -12.140 1.00 0.00 C ATOM 70 CD GLN A 7 -2.023 3.553 -11.469 1.00 0.00 C ATOM 71 OE1 GLN A 7 -2.333 4.088 -10.405 1.00 0.00 O ATOM 72 NE2 GLN A 7 -2.779 2.635 -12.083 1.00 0.00 N ATOM 73 H GLN A 7 0.592 4.089 -9.984 1.00 0.00 H ATOM 74 HA GLN A 7 -0.512 1.655 -10.428 1.00 0.00 H ATOM 75 1HB GLN A 7 1.278 3.109 -12.422 1.00 0.00 H ATOM 76 2HB GLN A 7 -0.022 1.968 -12.784 1.00 0.00 H ATOM 77 1HG GLN A 7 -0.271 4.780 -11.650 1.00 0.00 H ATOM 78 2HG GLN A 7 -0.883 4.167 -13.183 1.00 0.00 H ATOM 79 1HE2 GLN A 7 -2.449 2.245 -12.954 1.00 0.00 H ATOM 80 N TRP A 8 2.769 1.310 -10.702 1.00 0.00 N ATOM 81 CA TRP A 8 3.840 0.319 -10.665 1.00 0.00 C ATOM 82 C TRP A 8 3.674 -0.625 -9.464 1.00 0.00 C ATOM 83 O TRP A 8 3.802 -1.839 -9.606 1.00 0.00 O ATOM 84 CB TRP A 8 5.200 1.032 -10.644 1.00 0.00 C ATOM 85 CG TRP A 8 5.542 1.726 -9.361 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.177 2.982 -9.025 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.220 1.182 -8.189 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.555 3.248 -7.726 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.194 2.165 -7.157 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.818 -0.059 -7.876 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.727 1.928 -5.881 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.385 -0.295 -6.610 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.338 0.693 -5.612 1.00 0.00 C ATOM 94 H TRP A 8 3.025 2.287 -10.698 1.00 0.00 H ATOM 95 HA TRP A 8 3.785 -0.270 -11.582 1.00 0.00 H ATOM 96 1HB TRP A 8 5.978 0.294 -10.834 1.00 0.00 H ATOM 97 2HB TRP A 8 5.232 1.757 -11.459 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.627 3.665 -9.656 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.358 4.110 -7.235 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.842 -0.840 -8.621 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.654 2.680 -5.110 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.858 -1.243 -6.404 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.762 0.499 -4.637 1.00 0.00 H ATOM 104 N LEU A 9 3.369 -0.052 -8.293 1.00 0.00 N ATOM 105 CA LEU A 9 3.189 -0.755 -7.031 1.00 0.00 C ATOM 106 C LEU A 9 1.914 -1.601 -7.079 1.00 0.00 C ATOM 107 O LEU A 9 1.870 -2.688 -6.514 1.00 0.00 O ATOM 108 CB LEU A 9 3.135 0.270 -5.885 1.00 0.00 C ATOM 109 CG LEU A 9 3.849 -0.179 -4.599 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.784 0.956 -3.571 1.00 0.00 C ATOM 111 CD2 LEU A 9 3.241 -1.441 -3.983 1.00 0.00 C ATOM 112 H LEU A 9 3.226 0.948 -8.278 1.00 0.00 H ATOM 113 HA LEU A 9 4.054 -1.403 -6.886 1.00 0.00 H ATOM 114 1HB LEU A 9 3.625 1.189 -6.209 1.00 0.00 H ATOM 115 2HB LEU A 9 2.095 0.509 -5.659 1.00 0.00 H ATOM 116 HG LEU A 9 4.896 -0.378 -4.823 1.00 0.00 H ATOM 117 1HD1 LEU A 9 4.228 1.861 -3.987 1.00 0.00 H ATOM 118 2HD1 LEU A 9 2.747 1.157 -3.302 1.00 0.00 H ATOM 119 3HD1 LEU A 9 4.338 0.675 -2.675 1.00 0.00 H ATOM 120 1HD2 LEU A 9 2.163 -1.323 -3.874 1.00 0.00 H ATOM 121 2HD2 LEU A 9 3.459 -2.301 -4.612 1.00 0.00 H ATOM 122 3HD2 LEU A 9 3.686 -1.620 -3.004 1.00 0.00 H ATOM 123 N ALA A 10 0.870 -1.116 -7.759 1.00 0.00 N ATOM 124 CA ALA A 10 -0.357 -1.873 -7.935 1.00 0.00 C ATOM 125 C ALA A 10 -0.112 -3.112 -8.801 1.00 0.00 C ATOM 126 O ALA A 10 -0.511 -4.213 -8.428 1.00 0.00 O ATOM 127 CB ALA A 10 -1.446 -0.978 -8.529 1.00 0.00 C ATOM 128 H ALA A 10 0.939 -0.202 -8.189 1.00 0.00 H ATOM 129 HA ALA A 10 -0.700 -2.194 -6.953 1.00 0.00 H ATOM 130 1HB ALA A 10 -1.591 -0.103 -7.894 1.00 0.00 H ATOM 131 2HB ALA A 10 -1.164 -0.652 -9.528 1.00 0.00 H ATOM 132 3HB ALA A 10 -2.382 -1.534 -8.587 1.00 0.00 H ATOM 133 N GLU A 11 0.537 -2.919 -9.955 1.00 0.00 N ATOM 134 CA GLU A 11 0.718 -3.922 -10.995 1.00 0.00 C ATOM 135 C GLU A 11 1.470 -5.155 -10.494 1.00 0.00 C ATOM 136 O GLU A 11 0.865 -6.214 -10.339 1.00 0.00 O ATOM 137 CB GLU A 11 1.419 -3.288 -12.203 1.00 0.00 C ATOM 138 CG GLU A 11 0.447 -2.404 -12.995 1.00 0.00 C ATOM 139 CD GLU A 11 1.187 -1.564 -14.029 1.00 0.00 C ATOM 140 OE1 GLU A 11 1.432 -0.374 -13.732 1.00 0.00 O ATOM 141 OE2 GLU A 11 1.500 -2.127 -15.100 1.00 0.00 O ATOM 142 H GLU A 11 0.855 -1.983 -10.165 1.00 0.00 H ATOM 143 HA GLU A 11 -0.264 -4.254 -11.326 1.00 0.00 H ATOM 144 1HB GLU A 11 2.271 -2.696 -11.865 1.00 0.00 H ATOM 145 2HB GLU A 11 1.783 -4.072 -12.869 1.00 0.00 H ATOM 146 1HG GLU A 11 -0.275 -3.042 -13.505 1.00 0.00 H ATOM 147 2HG GLU A 11 -0.100 -1.743 -12.324 1.00 0.00 H ATOM 148 N LYS A 12 2.782 -5.037 -10.252 1.00 0.00 N ATOM 149 CA LYS A 12 3.641 -6.192 -9.986 1.00 0.00 C ATOM 150 C LYS A 12 3.541 -6.710 -8.542 1.00 0.00 C ATOM 151 O LYS A 12 4.512 -7.244 -8.008 1.00 0.00 O ATOM 152 CB LYS A 12 5.081 -5.877 -10.426 1.00 0.00 C ATOM 153 CG LYS A 12 5.789 -4.839 -9.541 1.00 0.00 C ATOM 154 CD LYS A 12 7.153 -4.410 -10.103 1.00 0.00 C ATOM 155 CE LYS A 12 7.075 -3.626 -11.419 1.00 0.00 C ATOM 156 NZ LYS A 12 6.245 -2.417 -11.293 1.00 0.00 N ATOM 157 H LYS A 12 3.219 -4.132 -10.355 1.00 0.00 H ATOM 158 HA LYS A 12 3.307 -7.008 -10.629 1.00 0.00 H ATOM 159 1HB LYS A 12 5.667 -6.797 -10.421 1.00 0.00 H ATOM 160 2HB LYS A 12 5.030 -5.515 -11.452 1.00 0.00 H ATOM 161 1HG LYS A 12 5.157 -3.966 -9.398 1.00 0.00 H ATOM 162 2HG LYS A 12 5.977 -5.282 -8.564 1.00 0.00 H ATOM 163 1HD LYS A 12 7.642 -3.779 -9.359 1.00 0.00 H ATOM 164 2HD LYS A 12 7.770 -5.297 -10.254 1.00 0.00 H ATOM 165 1HE LYS A 12 8.083 -3.321 -11.700 1.00 0.00 H ATOM 166 2HE LYS A 12 6.678 -4.252 -12.218 1.00 0.00 H ATOM 167 1HZ LYS A 12 6.627 -1.823 -10.571 1.00 0.00 H ATOM 168 2HZ LYS A 12 6.239 -1.916 -12.170 1.00 0.00 H ATOM 169 3HZ LYS A 12 5.298 -2.671 -11.046 1.00 0.00 H ATOM 170 N TYR A 13 2.364 -6.572 -7.916 1.00 0.00 N ATOM 171 CA TYR A 13 2.083 -7.026 -6.563 1.00 0.00 C ATOM 172 C TYR A 13 0.642 -7.537 -6.492 1.00 0.00 C ATOM 173 O TYR A 13 0.420 -8.675 -6.083 1.00 0.00 O ATOM 174 CB TYR A 13 2.293 -5.891 -5.551 1.00 0.00 C ATOM 175 CG TYR A 13 3.720 -5.393 -5.386 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.279 -4.492 -6.315 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.456 -5.749 -4.240 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.548 -3.933 -6.086 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.730 -5.200 -4.017 1.00 0.00 C ATOM 180 CZ TYR A 13 6.273 -4.286 -4.936 1.00 0.00 C ATOM 181 OH TYR A 13 7.505 -3.745 -4.708 1.00 0.00 O ATOM 182 H TYR A 13 1.593 -6.170 -8.428 1.00 0.00 H ATOM 183 HA TYR A 13 2.745 -7.853 -6.299 1.00 0.00 H ATOM 184 1HB TYR A 13 1.652 -5.054 -5.820 1.00 0.00 H ATOM 185 2HB TYR A 13 1.953 -6.256 -4.582 1.00 0.00 H ATOM 186 HD1 TYR A 13 3.739 -4.223 -7.209 1.00 0.00 H ATOM 187 HD2 TYR A 13 4.041 -6.436 -3.517 1.00 0.00 H ATOM 188 HE1 TYR A 13 5.962 -3.233 -6.796 1.00 0.00 H ATOM 189 HE2 TYR A 13 6.290 -5.477 -3.136 1.00 0.00 H ATOM 190 HH TYR A 13 7.790 -3.147 -5.402 1.00 0.00 H ATOM 191 N PHE A 14 -0.330 -6.689 -6.860 1.00 0.00 N ATOM 192 CA PHE A 14 -1.753 -6.952 -6.675 1.00 0.00 C ATOM 193 C PHE A 14 -2.409 -7.283 -8.018 1.00 0.00 C ATOM 194 O PHE A 14 -2.930 -8.383 -8.197 1.00 0.00 O ATOM 195 CB PHE A 14 -2.429 -5.752 -5.986 1.00 0.00 C ATOM 196 CG PHE A 14 -1.656 -5.131 -4.831 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.002 -5.939 -3.882 1.00 0.00 C ATOM 198 CD2 PHE A 14 -1.549 -3.730 -4.738 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.181 -5.353 -2.902 1.00 0.00 C ATOM 200 CE2 PHE A 14 -0.709 -3.145 -3.775 1.00 0.00 C ATOM 201 CZ PHE A 14 -0.016 -3.957 -2.863 1.00 0.00 C ATOM 202 H PHE A 14 -0.076 -5.774 -7.211 1.00 0.00 H ATOM 203 HA PHE A 14 -1.889 -7.814 -6.019 1.00 0.00 H ATOM 204 1HB PHE A 14 -2.599 -4.972 -6.729 1.00 0.00 H ATOM 205 2HB PHE A 14 -3.404 -6.070 -5.617 1.00 0.00 H ATOM 206 HD1 PHE A 14 -1.105 -7.014 -3.912 1.00 0.00 H ATOM 207 HD2 PHE A 14 -2.112 -3.097 -5.408 1.00 0.00 H ATOM 208 HE1 PHE A 14 0.335 -5.978 -2.187 1.00 0.00 H ATOM 209 HE2 PHE A 14 -0.599 -2.070 -3.735 1.00 0.00 H ATOM 210 HZ PHE A 14 0.634 -3.508 -2.126 1.00 0.00 H ATOM 211 N GLN A 15 -2.382 -6.331 -8.961 1.00 0.00 N ATOM 212 CA GLN A 15 -2.970 -6.468 -10.286 1.00 0.00 C ATOM 213 C GLN A 15 -1.972 -7.191 -11.200 1.00 0.00 C ATOM 214 O GLN A 15 -1.425 -6.609 -12.134 1.00 0.00 O ATOM 215 CB GLN A 15 -3.375 -5.077 -10.804 1.00 0.00 C ATOM 216 CG GLN A 15 -4.185 -5.161 -12.107 1.00 0.00 C ATOM 217 CD GLN A 15 -4.466 -3.791 -12.723 1.00 0.00 C ATOM 218 OE1 GLN A 15 -5.625 -3.439 -12.932 1.00 0.00 O ATOM 219 NE2 GLN A 15 -3.403 -3.043 -13.044 1.00 0.00 N ATOM 220 H GLN A 15 -1.899 -5.468 -8.756 1.00 0.00 H ATOM 221 HA GLN A 15 -3.879 -7.069 -10.217 1.00 0.00 H ATOM 222 1HB GLN A 15 -3.996 -4.586 -10.053 1.00 0.00 H ATOM 223 2HB GLN A 15 -2.481 -4.473 -10.949 1.00 0.00 H ATOM 224 1HG GLN A 15 -3.653 -5.747 -12.855 1.00 0.00 H ATOM 225 2HG GLN A 15 -5.132 -5.660 -11.898 1.00 0.00 H ATOM 226 1HE2 GLN A 15 -2.483 -3.402 -12.834 1.00 0.00 H HETATM 227 N NH2 A 16 -1.730 -8.473 -10.922 1.00 0.00 N HETATM 228 1HN NH2 A 16 -1.074 -8.995 -11.485 1.00 0.00 H HETATM 229 2HN NH2 A 16 -2.186 -8.905 -10.129 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -3.478 -1.793 -13.788 1.00 0.00 C HETATM 232 C2 LNK A 17 -4.054 -0.651 -12.941 1.00 0.00 C HETATM 233 C3 LNK A 17 -3.163 -0.309 -11.741 1.00 0.00 C HETATM 234 C4 LNK A 17 -3.790 0.772 -10.846 1.00 0.00 C HETATM 235 C5 LNK A 17 -4.029 2.114 -11.550 1.00 0.00 C HETATM 236 H11 LNK A 17 -4.106 -1.935 -14.668 1.00 0.00 H HETATM 237 H12 LNK A 17 -2.476 -1.519 -14.121 1.00 0.00 H HETATM 238 H21 LNK A 17 -4.133 0.221 -13.590 1.00 0.00 H HETATM 239 H22 LNK A 17 -5.053 -0.914 -12.593 1.00 0.00 H HETATM 240 H31 LNK A 17 -3.029 -1.206 -11.136 1.00 0.00 H HETATM 241 H32 LNK A 17 -2.184 0.018 -12.092 1.00 0.00 H HETATM 242 H41 LNK A 17 -3.129 0.944 -9.995 1.00 0.00 H HETATM 243 H42 LNK A 17 -4.744 0.404 -10.465 1.00 0.00 H HETATM 244 H51 LNK A 17 -4.744 1.992 -12.364 1.00 0.00 H HETATM 245 H52 LNK A 17 -4.464 2.813 -10.835 1.00 0.00 H ENDMDL MODEL 6 HETATM 1 C ACE A 3 1.127 11.027 -9.196 1.00 0.00 C HETATM 2 O ACE A 3 0.701 10.358 -10.135 1.00 0.00 O HETATM 3 CH3 ACE A 3 1.781 12.378 -9.456 1.00 0.00 C HETATM 4 1H ACE A 3 2.807 12.367 -9.086 1.00 0.00 H HETATM 5 2H ACE A 3 1.789 12.587 -10.526 1.00 0.00 H HETATM 6 3H ACE A 3 1.219 13.159 -8.943 1.00 0.00 H ATOM 7 N ARG A 4 1.051 10.643 -7.915 1.00 0.00 N ATOM 8 CA ARG A 4 0.437 9.407 -7.442 1.00 0.00 C ATOM 9 C ARG A 4 1.000 8.179 -8.175 1.00 0.00 C ATOM 10 O ARG A 4 0.286 7.561 -8.964 1.00 0.00 O ATOM 11 CB ARG A 4 -1.095 9.503 -7.546 1.00 0.00 C ATOM 12 CG ARG A 4 -1.642 10.645 -6.676 1.00 0.00 C ATOM 13 CD ARG A 4 -3.173 10.673 -6.680 1.00 0.00 C ATOM 14 NE ARG A 4 -3.738 9.477 -6.041 1.00 0.00 N ATOM 15 CZ ARG A 4 -5.050 9.236 -5.893 1.00 0.00 C ATOM 16 NH1 ARG A 4 -5.964 10.105 -6.348 1.00 0.00 N ATOM 17 NH2 ARG A 4 -5.451 8.114 -5.280 1.00 0.00 N ATOM 18 H ARG A 4 1.431 11.261 -7.212 1.00 0.00 H ATOM 19 HA ARG A 4 0.669 9.299 -6.383 1.00 0.00 H ATOM 20 1HB ARG A 4 -1.396 9.666 -8.582 1.00 0.00 H ATOM 21 2HB ARG A 4 -1.525 8.561 -7.207 1.00 0.00 H ATOM 22 1HG ARG A 4 -1.292 10.529 -5.649 1.00 0.00 H ATOM 23 2HG ARG A 4 -1.282 11.600 -7.063 1.00 0.00 H ATOM 24 1HD ARG A 4 -3.502 11.556 -6.129 1.00 0.00 H ATOM 25 2HD ARG A 4 -3.528 10.746 -7.709 1.00 0.00 H ATOM 26 HE ARG A 4 -3.080 8.800 -5.683 1.00 0.00 H ATOM 27 1HH1 ARG A 4 -5.668 10.955 -6.806 1.00 0.00 H ATOM 28 2HH1 ARG A 4 -6.949 9.915 -6.232 1.00 0.00 H ATOM 29 1HH2 ARG A 4 -4.769 7.456 -4.930 1.00 0.00 H ATOM 30 2HH2 ARG A 4 -6.436 7.924 -5.163 1.00 0.00 H ATOM 31 N PRO A 5 2.268 7.804 -7.921 1.00 0.00 N ATOM 32 CA PRO A 5 2.929 6.685 -8.579 1.00 0.00 C ATOM 33 C PRO A 5 2.503 5.360 -7.932 1.00 0.00 C ATOM 34 O PRO A 5 3.310 4.674 -7.310 1.00 0.00 O ATOM 35 CB PRO A 5 4.424 6.974 -8.414 1.00 0.00 C ATOM 36 CG PRO A 5 4.481 7.660 -7.049 1.00 0.00 C ATOM 37 CD PRO A 5 3.202 8.498 -7.046 1.00 0.00 C ATOM 38 HA PRO A 5 2.687 6.658 -9.643 1.00 0.00 H ATOM 39 1HB PRO A 5 5.056 6.087 -8.471 1.00 0.00 H ATOM 40 2HB PRO A 5 4.732 7.690 -9.177 1.00 0.00 H ATOM 41 1HG PRO A 5 4.432 6.910 -6.259 1.00 0.00 H ATOM 42 2HG PRO A 5 5.375 8.273 -6.931 1.00 0.00 H ATOM 43 1HD PRO A 5 2.822 8.593 -6.028 1.00 0.00 H ATOM 44 2HD PRO A 5 3.425 9.483 -7.458 1.00 0.00 H ATOM 45 N LEU A 6 1.220 5.012 -8.079 1.00 0.00 N ATOM 46 CA LEU A 6 0.639 3.767 -7.592 1.00 0.00 C ATOM 47 C LEU A 6 0.718 2.668 -8.654 1.00 0.00 C ATOM 48 O LEU A 6 0.774 1.496 -8.293 1.00 0.00 O ATOM 49 CB LEU A 6 -0.821 3.996 -7.164 1.00 0.00 C ATOM 50 CG LEU A 6 -1.008 4.573 -5.747 1.00 0.00 C ATOM 51 CD1 LEU A 6 -0.635 3.562 -4.655 1.00 0.00 C ATOM 52 CD2 LEU A 6 -0.254 5.889 -5.527 1.00 0.00 C ATOM 53 H LEU A 6 0.611 5.646 -8.579 1.00 0.00 H ATOM 54 HA LEU A 6 1.204 3.407 -6.734 1.00 0.00 H ATOM 55 1HB LEU A 6 -1.303 4.658 -7.885 1.00 0.00 H ATOM 56 2HB LEU A 6 -1.351 3.042 -7.192 1.00 0.00 H ATOM 57 HG LEU A 6 -2.072 4.785 -5.636 1.00 0.00 H ATOM 58 1HD1 LEU A 6 -1.178 2.629 -4.809 1.00 0.00 H ATOM 59 2HD1 LEU A 6 0.435 3.356 -4.656 1.00 0.00 H ATOM 60 3HD1 LEU A 6 -0.908 3.966 -3.680 1.00 0.00 H ATOM 61 1HD2 LEU A 6 -0.501 6.587 -6.324 1.00 0.00 H ATOM 62 2HD2 LEU A 6 -0.554 6.324 -4.574 1.00 0.00 H ATOM 63 3HD2 LEU A 6 0.822 5.719 -5.509 1.00 0.00 H ATOM 64 N GLN A 7 0.685 3.031 -9.945 1.00 0.00 N ATOM 65 CA GLN A 7 0.556 2.097 -11.059 1.00 0.00 C ATOM 66 C GLN A 7 1.564 0.952 -10.995 1.00 0.00 C ATOM 67 O GLN A 7 1.153 -0.199 -10.886 1.00 0.00 O ATOM 68 CB GLN A 7 0.654 2.850 -12.394 1.00 0.00 C ATOM 69 CG GLN A 7 -0.639 3.601 -12.743 1.00 0.00 C ATOM 70 CD GLN A 7 -1.728 2.644 -13.232 1.00 0.00 C ATOM 71 OE1 GLN A 7 -1.822 2.384 -14.430 1.00 0.00 O ATOM 72 NE2 GLN A 7 -2.533 2.118 -12.300 1.00 0.00 N ATOM 73 H GLN A 7 0.653 4.015 -10.166 1.00 0.00 H ATOM 74 HA GLN A 7 -0.424 1.631 -10.978 1.00 0.00 H ATOM 75 1HB GLN A 7 1.482 3.559 -12.344 1.00 0.00 H ATOM 76 2HB GLN A 7 0.864 2.143 -13.199 1.00 0.00 H ATOM 77 1HG GLN A 7 -0.991 4.172 -11.883 1.00 0.00 H ATOM 78 2HG GLN A 7 -0.419 4.300 -13.550 1.00 0.00 H ATOM 79 1HE2 GLN A 7 -2.405 2.405 -11.341 1.00 0.00 H ATOM 80 N TRP A 8 2.864 1.259 -11.055 1.00 0.00 N ATOM 81 CA TRP A 8 3.928 0.260 -11.017 1.00 0.00 C ATOM 82 C TRP A 8 3.754 -0.704 -9.833 1.00 0.00 C ATOM 83 O TRP A 8 3.941 -1.911 -9.977 1.00 0.00 O ATOM 84 CB TRP A 8 5.291 0.966 -10.962 1.00 0.00 C ATOM 85 CG TRP A 8 5.609 1.623 -9.653 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.201 2.851 -9.266 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.262 1.037 -8.488 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.542 3.063 -7.946 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.184 1.965 -7.410 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.859 -0.212 -8.218 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.670 1.665 -6.128 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.343 -0.528 -6.935 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.257 0.411 -5.892 1.00 0.00 C ATOM 94 H TRP A 8 3.130 2.228 -11.149 1.00 0.00 H ATOM 95 HA TRP A 8 3.882 -0.313 -11.944 1.00 0.00 H ATOM 96 1HB TRP A 8 6.064 0.221 -11.159 1.00 0.00 H ATOM 97 2HB TRP A 8 5.339 1.709 -11.759 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.632 3.538 -9.875 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.295 3.884 -7.409 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.927 -0.939 -9.012 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.566 2.378 -5.324 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.774 -1.500 -6.746 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.631 0.164 -4.909 1.00 0.00 H ATOM 104 N LEU A 9 3.384 -0.157 -8.669 1.00 0.00 N ATOM 105 CA LEU A 9 3.231 -0.883 -7.420 1.00 0.00 C ATOM 106 C LEU A 9 2.065 -1.867 -7.555 1.00 0.00 C ATOM 107 O LEU A 9 2.240 -3.067 -7.362 1.00 0.00 O ATOM 108 CB LEU A 9 3.048 0.140 -6.282 1.00 0.00 C ATOM 109 CG LEU A 9 3.613 -0.317 -4.929 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.626 0.868 -3.954 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.777 -1.444 -4.320 1.00 0.00 C ATOM 112 H LEU A 9 3.211 0.838 -8.646 1.00 0.00 H ATOM 113 HA LEU A 9 4.151 -1.442 -7.244 1.00 0.00 H ATOM 114 1HB LEU A 9 3.592 1.045 -6.553 1.00 0.00 H ATOM 115 2HB LEU A 9 1.997 0.409 -6.168 1.00 0.00 H ATOM 116 HG LEU A 9 4.639 -0.660 -5.062 1.00 0.00 H ATOM 117 1HD1 LEU A 9 4.236 1.678 -4.353 1.00 0.00 H ATOM 118 2HD1 LEU A 9 2.611 1.232 -3.795 1.00 0.00 H ATOM 119 3HD1 LEU A 9 4.048 0.554 -2.998 1.00 0.00 H ATOM 120 1HD2 LEU A 9 1.741 -1.120 -4.224 1.00 0.00 H ATOM 121 2HD2 LEU A 9 2.825 -2.326 -4.950 1.00 0.00 H ATOM 122 3HD2 LEU A 9 3.171 -1.699 -3.336 1.00 0.00 H ATOM 123 N ALA A 10 0.886 -1.361 -7.932 1.00 0.00 N ATOM 124 CA ALA A 10 -0.318 -2.151 -8.123 1.00 0.00 C ATOM 125 C ALA A 10 -0.117 -3.262 -9.152 1.00 0.00 C ATOM 126 O ALA A 10 -0.542 -4.388 -8.919 1.00 0.00 O ATOM 127 CB ALA A 10 -1.474 -1.234 -8.526 1.00 0.00 C ATOM 128 H ALA A 10 0.821 -0.368 -8.105 1.00 0.00 H ATOM 129 HA ALA A 10 -0.563 -2.617 -7.170 1.00 0.00 H ATOM 130 1HB ALA A 10 -1.640 -0.486 -7.750 1.00 0.00 H ATOM 131 2HB ALA A 10 -1.235 -0.729 -9.462 1.00 0.00 H ATOM 132 3HB ALA A 10 -2.382 -1.823 -8.657 1.00 0.00 H ATOM 133 N GLU A 11 0.531 -2.951 -10.280 1.00 0.00 N ATOM 134 CA GLU A 11 0.820 -3.904 -11.340 1.00 0.00 C ATOM 135 C GLU A 11 1.644 -5.082 -10.816 1.00 0.00 C ATOM 136 O GLU A 11 1.272 -6.233 -11.035 1.00 0.00 O ATOM 137 CB GLU A 11 1.539 -3.194 -12.492 1.00 0.00 C ATOM 138 CG GLU A 11 0.565 -2.303 -13.272 1.00 0.00 C ATOM 139 CD GLU A 11 1.299 -1.465 -14.311 1.00 0.00 C ATOM 140 OE1 GLU A 11 1.283 -1.881 -15.491 1.00 0.00 O ATOM 141 OE2 GLU A 11 1.866 -0.426 -13.911 1.00 0.00 O ATOM 142 H GLU A 11 0.851 -2.001 -10.408 1.00 0.00 H ATOM 143 HA GLU A 11 -0.123 -4.289 -11.726 1.00 0.00 H ATOM 144 1HB GLU A 11 2.362 -2.597 -12.099 1.00 0.00 H ATOM 145 2HB GLU A 11 1.946 -3.938 -13.179 1.00 0.00 H ATOM 146 1HG GLU A 11 -0.170 -2.936 -13.772 1.00 0.00 H ATOM 147 2HG GLU A 11 0.032 -1.634 -12.598 1.00 0.00 H ATOM 148 N LYS A 12 2.757 -4.798 -10.129 1.00 0.00 N ATOM 149 CA LYS A 12 3.647 -5.827 -9.606 1.00 0.00 C ATOM 150 C LYS A 12 2.969 -6.641 -8.499 1.00 0.00 C ATOM 151 O LYS A 12 2.874 -7.863 -8.601 1.00 0.00 O ATOM 152 CB LYS A 12 4.941 -5.191 -9.079 1.00 0.00 C ATOM 153 CG LYS A 12 5.828 -4.655 -10.208 1.00 0.00 C ATOM 154 CD LYS A 12 7.078 -4.004 -9.607 1.00 0.00 C ATOM 155 CE LYS A 12 7.944 -3.375 -10.701 1.00 0.00 C ATOM 156 NZ LYS A 12 9.133 -2.719 -10.131 1.00 0.00 N ATOM 157 H LYS A 12 3.005 -3.830 -9.971 1.00 0.00 H ATOM 158 HA LYS A 12 3.911 -6.512 -10.414 1.00 0.00 H ATOM 159 1HB LYS A 12 4.695 -4.378 -8.397 1.00 0.00 H ATOM 160 2HB LYS A 12 5.509 -5.946 -8.532 1.00 0.00 H ATOM 161 1HG LYS A 12 6.124 -5.477 -10.862 1.00 0.00 H ATOM 162 2HG LYS A 12 5.280 -3.919 -10.796 1.00 0.00 H ATOM 163 1HD LYS A 12 6.771 -3.233 -8.901 1.00 0.00 H ATOM 164 2HD LYS A 12 7.658 -4.758 -9.073 1.00 0.00 H ATOM 165 1HE LYS A 12 8.270 -4.149 -11.397 1.00 0.00 H ATOM 166 2HE LYS A 12 7.363 -2.629 -11.245 1.00 0.00 H ATOM 167 1HZ LYS A 12 8.846 -1.995 -9.488 1.00 0.00 H ATOM 168 2HZ LYS A 12 9.695 -3.400 -9.640 1.00 0.00 H ATOM 169 3HZ LYS A 12 9.680 -2.308 -10.875 1.00 0.00 H ATOM 170 N TYR A 13 2.539 -5.967 -7.427 1.00 0.00 N ATOM 171 CA TYR A 13 2.074 -6.608 -6.206 1.00 0.00 C ATOM 172 C TYR A 13 0.632 -7.100 -6.334 1.00 0.00 C ATOM 173 O TYR A 13 0.385 -8.304 -6.311 1.00 0.00 O ATOM 174 CB TYR A 13 2.216 -5.643 -5.019 1.00 0.00 C ATOM 175 CG TYR A 13 3.641 -5.430 -4.538 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.512 -4.570 -5.233 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.093 -6.084 -3.376 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.824 -4.368 -4.775 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.407 -5.885 -2.918 1.00 0.00 C ATOM 180 CZ TYR A 13 6.273 -5.027 -3.618 1.00 0.00 C ATOM 181 OH TYR A 13 7.549 -4.830 -3.177 1.00 0.00 O ATOM 182 H TYR A 13 2.617 -4.959 -7.426 1.00 0.00 H ATOM 183 HA TYR A 13 2.705 -7.476 -5.998 1.00 0.00 H ATOM 184 1HB TYR A 13 1.776 -4.678 -5.274 1.00 0.00 H ATOM 185 2HB TYR A 13 1.639 -6.048 -4.186 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.182 -4.050 -6.116 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.431 -6.738 -2.828 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.486 -3.705 -5.313 1.00 0.00 H ATOM 189 HE2 TYR A 13 5.747 -6.394 -2.027 1.00 0.00 H ATOM 190 HH TYR A 13 7.749 -5.309 -2.369 1.00 0.00 H ATOM 191 N PHE A 14 -0.321 -6.168 -6.438 1.00 0.00 N ATOM 192 CA PHE A 14 -1.745 -6.471 -6.331 1.00 0.00 C ATOM 193 C PHE A 14 -2.248 -7.271 -7.534 1.00 0.00 C ATOM 194 O PHE A 14 -3.025 -8.207 -7.363 1.00 0.00 O ATOM 195 CB PHE A 14 -2.547 -5.176 -6.127 1.00 0.00 C ATOM 196 CG PHE A 14 -2.037 -4.230 -5.046 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.303 -4.710 -3.941 1.00 0.00 C ATOM 198 CD2 PHE A 14 -2.259 -2.845 -5.175 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.696 -3.810 -3.049 1.00 0.00 C ATOM 200 CE2 PHE A 14 -1.664 -1.944 -4.273 1.00 0.00 C ATOM 201 CZ PHE A 14 -0.875 -2.427 -3.216 1.00 0.00 C ATOM 202 H PHE A 14 -0.052 -5.197 -6.499 1.00 0.00 H ATOM 203 HA PHE A 14 -1.894 -7.096 -5.449 1.00 0.00 H ATOM 204 1HB PHE A 14 -2.560 -4.635 -7.075 1.00 0.00 H ATOM 205 2HB PHE A 14 -3.575 -5.447 -5.884 1.00 0.00 H ATOM 206 HD1 PHE A 14 -1.179 -5.769 -3.775 1.00 0.00 H ATOM 207 HD2 PHE A 14 -2.865 -2.465 -5.984 1.00 0.00 H ATOM 208 HE1 PHE A 14 -0.089 -4.183 -2.237 1.00 0.00 H ATOM 209 HE2 PHE A 14 -1.805 -0.880 -4.399 1.00 0.00 H ATOM 210 HZ PHE A 14 -0.412 -1.736 -2.525 1.00 0.00 H ATOM 211 N GLN A 15 -1.778 -6.921 -8.736 1.00 0.00 N ATOM 212 CA GLN A 15 -2.049 -7.638 -9.973 1.00 0.00 C ATOM 213 C GLN A 15 -0.847 -8.520 -10.337 1.00 0.00 C ATOM 214 O GLN A 15 -0.566 -8.733 -11.514 1.00 0.00 O ATOM 215 CB GLN A 15 -2.366 -6.626 -11.086 1.00 0.00 C ATOM 216 CG GLN A 15 -3.535 -5.699 -10.728 1.00 0.00 C ATOM 217 CD GLN A 15 -3.871 -4.770 -11.892 1.00 0.00 C ATOM 218 OE1 GLN A 15 -4.733 -5.096 -12.706 1.00 0.00 O ATOM 219 NE2 GLN A 15 -3.192 -3.618 -11.970 1.00 0.00 N ATOM 220 H GLN A 15 -1.132 -6.146 -8.790 1.00 0.00 H ATOM 221 HA GLN A 15 -2.917 -8.288 -9.855 1.00 0.00 H ATOM 222 1HB GLN A 15 -1.482 -6.022 -11.280 1.00 0.00 H ATOM 223 2HB GLN A 15 -2.623 -7.169 -11.997 1.00 0.00 H ATOM 224 1HG GLN A 15 -4.412 -6.308 -10.501 1.00 0.00 H ATOM 225 2HG GLN A 15 -3.295 -5.098 -9.850 1.00 0.00 H ATOM 226 1HE2 GLN A 15 -2.501 -3.410 -11.263 1.00 0.00 H HETATM 227 N NH2 A 16 -0.129 -9.043 -9.338 1.00 0.00 N HETATM 228 1HN NH2 A 16 -0.370 -8.852 -8.375 1.00 0.00 H HETATM 229 2HN NH2 A 16 0.680 -9.609 -9.550 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -3.376 -2.651 -13.043 1.00 0.00 C HETATM 232 C2 LNK A 17 -4.643 -1.812 -12.823 1.00 0.00 C HETATM 233 C3 LNK A 17 -4.623 -0.982 -11.530 1.00 0.00 C HETATM 234 C4 LNK A 17 -3.488 0.048 -11.438 1.00 0.00 C HETATM 235 C5 LNK A 17 -3.539 1.098 -12.555 1.00 0.00 C HETATM 236 H11 LNK A 17 -3.464 -3.176 -13.996 1.00 0.00 H HETATM 237 H12 LNK A 17 -2.503 -2.002 -13.102 1.00 0.00 H HETATM 238 H21 LNK A 17 -4.782 -1.152 -13.679 1.00 0.00 H HETATM 239 H22 LNK A 17 -5.504 -2.480 -12.783 1.00 0.00 H HETATM 240 H31 LNK A 17 -5.574 -0.453 -11.451 1.00 0.00 H HETATM 241 H32 LNK A 17 -4.545 -1.657 -10.677 1.00 0.00 H HETATM 242 H41 LNK A 17 -2.522 -0.456 -11.461 1.00 0.00 H HETATM 243 H42 LNK A 17 -3.581 0.558 -10.478 1.00 0.00 H HETATM 244 H51 LNK A 17 -3.356 0.614 -13.514 1.00 0.00 H HETATM 245 H52 LNK A 17 -4.523 1.569 -12.573 1.00 0.00 H ENDMDL MODEL 7 HETATM 1 C ACE A 3 1.786 10.744 -9.903 1.00 0.00 C HETATM 2 O ACE A 3 2.131 9.768 -10.567 1.00 0.00 O HETATM 3 CH3 ACE A 3 2.343 12.120 -10.246 1.00 0.00 C HETATM 4 1H ACE A 3 3.115 12.387 -9.523 1.00 0.00 H HETATM 5 2H ACE A 3 2.779 12.105 -11.245 1.00 0.00 H HETATM 6 3H ACE A 3 1.550 12.866 -10.214 1.00 0.00 H ATOM 7 N ARG A 4 0.936 10.701 -8.864 1.00 0.00 N ATOM 8 CA ARG A 4 0.295 9.536 -8.248 1.00 0.00 C ATOM 9 C ARG A 4 0.900 8.177 -8.651 1.00 0.00 C ATOM 10 O ARG A 4 0.311 7.443 -9.442 1.00 0.00 O ATOM 11 CB ARG A 4 -1.244 9.646 -8.342 1.00 0.00 C ATOM 12 CG ARG A 4 -1.967 9.259 -9.646 1.00 0.00 C ATOM 13 CD ARG A 4 -1.398 9.881 -10.923 1.00 0.00 C ATOM 14 NE ARG A 4 -1.409 11.348 -10.865 1.00 0.00 N ATOM 15 CZ ARG A 4 -0.824 12.151 -11.768 1.00 0.00 C ATOM 16 NH1 ARG A 4 -0.137 11.640 -12.799 1.00 0.00 N ATOM 17 NH2 ARG A 4 -0.925 13.480 -11.635 1.00 0.00 N ATOM 18 H ARG A 4 0.732 11.585 -8.422 1.00 0.00 H ATOM 19 HA ARG A 4 0.482 9.650 -7.181 1.00 0.00 H ATOM 20 1HB ARG A 4 -1.667 9.021 -7.556 1.00 0.00 H ATOM 21 2HB ARG A 4 -1.515 10.676 -8.104 1.00 0.00 H ATOM 22 1HG ARG A 4 -1.977 8.175 -9.759 1.00 0.00 H ATOM 23 2HG ARG A 4 -3.007 9.575 -9.552 1.00 0.00 H ATOM 24 1HD ARG A 4 -0.390 9.506 -11.086 1.00 0.00 H ATOM 25 2HD ARG A 4 -2.017 9.564 -11.763 1.00 0.00 H ATOM 26 HE ARG A 4 -1.914 11.768 -10.098 1.00 0.00 H ATOM 27 1HH1 ARG A 4 -0.051 10.639 -12.902 1.00 0.00 H ATOM 28 2HH1 ARG A 4 0.302 12.251 -13.472 1.00 0.00 H ATOM 29 1HH2 ARG A 4 -1.443 13.874 -10.863 1.00 0.00 H ATOM 30 2HH2 ARG A 4 -0.486 14.092 -12.308 1.00 0.00 H ATOM 31 N PRO A 5 2.092 7.828 -8.130 1.00 0.00 N ATOM 32 CA PRO A 5 2.839 6.654 -8.557 1.00 0.00 C ATOM 33 C PRO A 5 2.326 5.398 -7.842 1.00 0.00 C ATOM 34 O PRO A 5 3.025 4.813 -7.017 1.00 0.00 O ATOM 35 CB PRO A 5 4.297 6.986 -8.222 1.00 0.00 C ATOM 36 CG PRO A 5 4.165 7.822 -6.950 1.00 0.00 C ATOM 37 CD PRO A 5 2.888 8.623 -7.205 1.00 0.00 C ATOM 38 HA PRO A 5 2.755 6.506 -9.636 1.00 0.00 H ATOM 39 1HB PRO A 5 4.931 6.110 -8.088 1.00 0.00 H ATOM 40 2HB PRO A 5 4.707 7.615 -9.014 1.00 0.00 H ATOM 41 1HG PRO A 5 4.022 7.164 -6.092 1.00 0.00 H ATOM 42 2HG PRO A 5 5.031 8.465 -6.788 1.00 0.00 H ATOM 43 1HD PRO A 5 2.366 8.792 -6.262 1.00 0.00 H ATOM 44 2HD PRO A 5 3.152 9.575 -7.666 1.00 0.00 H ATOM 45 N LEU A 6 1.094 4.989 -8.167 1.00 0.00 N ATOM 46 CA LEU A 6 0.486 3.753 -7.693 1.00 0.00 C ATOM 47 C LEU A 6 0.788 2.616 -8.669 1.00 0.00 C ATOM 48 O LEU A 6 1.187 1.537 -8.240 1.00 0.00 O ATOM 49 CB LEU A 6 -1.033 3.921 -7.526 1.00 0.00 C ATOM 50 CG LEU A 6 -1.496 4.781 -6.334 1.00 0.00 C ATOM 51 CD1 LEU A 6 -0.995 4.243 -4.988 1.00 0.00 C ATOM 52 CD2 LEU A 6 -1.133 6.262 -6.478 1.00 0.00 C ATOM 53 H LEU A 6 0.566 5.551 -8.822 1.00 0.00 H ATOM 54 HA LEU A 6 0.912 3.469 -6.731 1.00 0.00 H ATOM 55 1HB LEU A 6 -1.452 4.333 -8.445 1.00 0.00 H ATOM 56 2HB LEU A 6 -1.462 2.928 -7.384 1.00 0.00 H ATOM 57 HG LEU A 6 -2.586 4.721 -6.322 1.00 0.00 H ATOM 58 1HD1 LEU A 6 -1.207 3.176 -4.911 1.00 0.00 H ATOM 59 2HD1 LEU A 6 0.077 4.407 -4.881 1.00 0.00 H ATOM 60 3HD1 LEU A 6 -1.507 4.763 -4.178 1.00 0.00 H ATOM 61 1HD2 LEU A 6 -1.430 6.614 -7.466 1.00 0.00 H ATOM 62 2HD2 LEU A 6 -1.667 6.840 -5.723 1.00 0.00 H ATOM 63 3HD2 LEU A 6 -0.064 6.416 -6.336 1.00 0.00 H ATOM 64 N GLN A 7 0.560 2.859 -9.969 1.00 0.00 N ATOM 65 CA GLN A 7 0.577 1.873 -11.048 1.00 0.00 C ATOM 66 C GLN A 7 1.728 0.873 -10.950 1.00 0.00 C ATOM 67 O GLN A 7 1.470 -0.325 -10.907 1.00 0.00 O ATOM 68 CB GLN A 7 0.598 2.590 -12.404 1.00 0.00 C ATOM 69 CG GLN A 7 -0.766 3.193 -12.764 1.00 0.00 C ATOM 70 CD GLN A 7 -1.712 2.164 -13.386 1.00 0.00 C ATOM 71 OE1 GLN A 7 -1.694 1.981 -14.602 1.00 0.00 O ATOM 72 NE2 GLN A 7 -2.554 1.518 -12.568 1.00 0.00 N ATOM 73 H GLN A 7 0.252 3.787 -10.217 1.00 0.00 H ATOM 74 HA GLN A 7 -0.345 1.296 -10.979 1.00 0.00 H ATOM 75 1HB GLN A 7 1.345 3.385 -12.370 1.00 0.00 H ATOM 76 2HB GLN A 7 0.883 1.890 -13.191 1.00 0.00 H ATOM 77 1HG GLN A 7 -1.228 3.657 -11.893 1.00 0.00 H ATOM 78 2HG GLN A 7 -0.599 3.971 -13.510 1.00 0.00 H ATOM 79 1HE2 GLN A 7 -2.513 1.704 -11.577 1.00 0.00 H ATOM 80 N TRP A 8 2.981 1.344 -10.917 1.00 0.00 N ATOM 81 CA TRP A 8 4.157 0.476 -10.866 1.00 0.00 C ATOM 82 C TRP A 8 4.044 -0.561 -9.739 1.00 0.00 C ATOM 83 O TRP A 8 4.335 -1.739 -9.941 1.00 0.00 O ATOM 84 CB TRP A 8 5.427 1.328 -10.715 1.00 0.00 C ATOM 85 CG TRP A 8 5.617 1.954 -9.367 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.065 3.114 -8.951 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.287 1.393 -8.197 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.328 3.304 -7.611 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.065 2.261 -7.089 1.00 0.00 C ATOM 90 CE3 TRP A 8 7.009 0.207 -7.947 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.531 1.964 -5.799 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.483 -0.101 -6.659 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.245 0.774 -5.586 1.00 0.00 C ATOM 94 H TRP A 8 3.129 2.341 -10.951 1.00 0.00 H ATOM 95 HA TRP A 8 4.220 -0.052 -11.819 1.00 0.00 H ATOM 96 1HB TRP A 8 6.287 0.684 -10.905 1.00 0.00 H ATOM 97 2HB TRP A 8 5.426 2.109 -11.476 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.453 3.765 -9.558 1.00 0.00 H ATOM 99 HE1 TRP A 8 4.976 4.072 -7.054 1.00 0.00 H ATOM 100 HE3 TRP A 8 7.186 -0.479 -8.760 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.317 2.628 -4.975 1.00 0.00 H ATOM 102 HZ3 TRP A 8 8.024 -1.021 -6.491 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.599 0.522 -4.596 1.00 0.00 H ATOM 104 N LEU A 9 3.601 -0.111 -8.559 1.00 0.00 N ATOM 105 CA LEU A 9 3.448 -0.917 -7.360 1.00 0.00 C ATOM 106 C LEU A 9 2.294 -1.894 -7.576 1.00 0.00 C ATOM 107 O LEU A 9 2.455 -3.102 -7.430 1.00 0.00 O ATOM 108 CB LEU A 9 3.194 0.026 -6.165 1.00 0.00 C ATOM 109 CG LEU A 9 3.780 -0.468 -4.833 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.657 0.640 -3.781 1.00 0.00 C ATOM 111 CD2 LEU A 9 3.059 -1.713 -4.319 1.00 0.00 C ATOM 112 H LEU A 9 3.328 0.860 -8.494 1.00 0.00 H ATOM 113 HA LEU A 9 4.376 -1.467 -7.195 1.00 0.00 H ATOM 114 1HB LEU A 9 3.669 0.984 -6.376 1.00 0.00 H ATOM 115 2HB LEU A 9 2.126 0.210 -6.039 1.00 0.00 H ATOM 116 HG LEU A 9 4.837 -0.702 -4.967 1.00 0.00 H ATOM 117 1HD1 LEU A 9 4.179 1.536 -4.116 1.00 0.00 H ATOM 118 2HD1 LEU A 9 2.607 0.883 -3.615 1.00 0.00 H ATOM 119 3HD1 LEU A 9 4.099 0.308 -2.841 1.00 0.00 H ATOM 120 1HD2 LEU A 9 1.995 -1.508 -4.209 1.00 0.00 H ATOM 121 2HD2 LEU A 9 3.201 -2.530 -5.018 1.00 0.00 H ATOM 122 3HD2 LEU A 9 3.475 -2.004 -3.354 1.00 0.00 H ATOM 123 N ALA A 10 1.129 -1.350 -7.937 1.00 0.00 N ATOM 124 CA ALA A 10 -0.137 -2.055 -8.015 1.00 0.00 C ATOM 125 C ALA A 10 -0.120 -3.179 -9.056 1.00 0.00 C ATOM 126 O ALA A 10 -0.596 -4.279 -8.782 1.00 0.00 O ATOM 127 CB ALA A 10 -1.232 -1.019 -8.284 1.00 0.00 C ATOM 128 H ALA A 10 1.104 -0.350 -8.079 1.00 0.00 H ATOM 129 HA ALA A 10 -0.316 -2.501 -7.038 1.00 0.00 H ATOM 130 1HB ALA A 10 -1.156 -0.210 -7.556 1.00 0.00 H ATOM 131 2HB ALA A 10 -1.118 -0.602 -9.285 1.00 0.00 H ATOM 132 3HB ALA A 10 -2.215 -1.470 -8.186 1.00 0.00 H ATOM 133 N GLU A 11 0.443 -2.912 -10.240 1.00 0.00 N ATOM 134 CA GLU A 11 0.622 -3.892 -11.302 1.00 0.00 C ATOM 135 C GLU A 11 1.390 -5.109 -10.785 1.00 0.00 C ATOM 136 O GLU A 11 0.906 -6.233 -10.896 1.00 0.00 O ATOM 137 CB GLU A 11 1.373 -3.255 -12.479 1.00 0.00 C ATOM 138 CG GLU A 11 0.490 -2.274 -13.258 1.00 0.00 C ATOM 139 CD GLU A 11 1.302 -1.527 -14.310 1.00 0.00 C ATOM 140 OE1 GLU A 11 1.266 -1.970 -15.478 1.00 0.00 O ATOM 141 OE2 GLU A 11 1.951 -0.528 -13.928 1.00 0.00 O ATOM 142 H GLU A 11 0.815 -1.987 -10.396 1.00 0.00 H ATOM 143 HA GLU A 11 -0.359 -4.223 -11.648 1.00 0.00 H ATOM 144 1HB GLU A 11 2.260 -2.740 -12.108 1.00 0.00 H ATOM 145 2HB GLU A 11 1.691 -4.040 -13.168 1.00 0.00 H ATOM 146 1HG GLU A 11 -0.311 -2.827 -13.748 1.00 0.00 H ATOM 147 2HG GLU A 11 0.043 -1.547 -12.583 1.00 0.00 H ATOM 148 N LYS A 12 2.586 -4.884 -10.230 1.00 0.00 N ATOM 149 CA LYS A 12 3.456 -5.949 -9.754 1.00 0.00 C ATOM 150 C LYS A 12 2.831 -6.709 -8.581 1.00 0.00 C ATOM 151 O LYS A 12 2.717 -7.933 -8.631 1.00 0.00 O ATOM 152 CB LYS A 12 4.816 -5.369 -9.347 1.00 0.00 C ATOM 153 CG LYS A 12 5.663 -4.972 -10.561 1.00 0.00 C ATOM 154 CD LYS A 12 7.098 -4.628 -10.140 1.00 0.00 C ATOM 155 CE LYS A 12 7.196 -3.280 -9.419 1.00 0.00 C ATOM 156 NZ LYS A 12 8.581 -3.000 -9.003 1.00 0.00 N ATOM 157 H LYS A 12 2.920 -3.933 -10.154 1.00 0.00 H ATOM 158 HA LYS A 12 3.614 -6.661 -10.565 1.00 0.00 H ATOM 159 1HB LYS A 12 4.660 -4.498 -8.713 1.00 0.00 H ATOM 160 2HB LYS A 12 5.357 -6.129 -8.781 1.00 0.00 H ATOM 161 1HG LYS A 12 5.710 -5.821 -11.244 1.00 0.00 H ATOM 162 2HG LYS A 12 5.209 -4.129 -11.083 1.00 0.00 H ATOM 163 1HD LYS A 12 7.479 -5.414 -9.487 1.00 0.00 H ATOM 164 2HD LYS A 12 7.719 -4.586 -11.036 1.00 0.00 H ATOM 165 1HE LYS A 12 6.868 -2.490 -10.095 1.00 0.00 H ATOM 166 2HE LYS A 12 6.566 -3.277 -8.530 1.00 0.00 H ATOM 167 1HZ LYS A 12 9.181 -2.980 -9.815 1.00 0.00 H ATOM 168 2HZ LYS A 12 8.619 -2.106 -8.535 1.00 0.00 H ATOM 169 3HZ LYS A 12 8.895 -3.722 -8.370 1.00 0.00 H ATOM 170 N TYR A 13 2.473 -5.989 -7.513 1.00 0.00 N ATOM 171 CA TYR A 13 2.062 -6.575 -6.247 1.00 0.00 C ATOM 172 C TYR A 13 0.607 -7.036 -6.305 1.00 0.00 C ATOM 173 O TYR A 13 0.333 -8.220 -6.114 1.00 0.00 O ATOM 174 CB TYR A 13 2.277 -5.574 -5.101 1.00 0.00 C ATOM 175 CG TYR A 13 3.719 -5.400 -4.648 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.674 -4.789 -5.485 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.094 -5.794 -3.348 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.980 -4.556 -5.022 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.405 -5.576 -2.891 1.00 0.00 C ATOM 180 CZ TYR A 13 6.348 -4.953 -3.726 1.00 0.00 C ATOM 181 OH TYR A 13 7.618 -4.732 -3.282 1.00 0.00 O ATOM 182 H TYR A 13 2.573 -4.984 -7.554 1.00 0.00 H ATOM 183 HA TYR A 13 2.682 -7.448 -6.037 1.00 0.00 H ATOM 184 1HB TYR A 13 1.867 -4.603 -5.379 1.00 0.00 H ATOM 185 2HB TYR A 13 1.699 -5.928 -4.246 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.416 -4.472 -6.480 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.376 -6.260 -2.689 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.699 -4.065 -5.662 1.00 0.00 H ATOM 189 HE2 TYR A 13 5.681 -5.883 -1.892 1.00 0.00 H ATOM 190 HH TYR A 13 7.765 -5.039 -2.385 1.00 0.00 H ATOM 191 N PHE A 14 -0.330 -6.107 -6.535 1.00 0.00 N ATOM 192 CA PHE A 14 -1.755 -6.386 -6.396 1.00 0.00 C ATOM 193 C PHE A 14 -2.213 -7.327 -7.512 1.00 0.00 C ATOM 194 O PHE A 14 -2.899 -8.309 -7.233 1.00 0.00 O ATOM 195 CB PHE A 14 -2.585 -5.093 -6.341 1.00 0.00 C ATOM 196 CG PHE A 14 -2.122 -3.999 -5.384 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.202 -4.253 -4.345 1.00 0.00 C ATOM 198 CD2 PHE A 14 -2.585 -2.685 -5.584 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.645 -3.187 -3.617 1.00 0.00 C ATOM 200 CE2 PHE A 14 -2.035 -1.619 -4.850 1.00 0.00 C ATOM 201 CZ PHE A 14 -1.053 -1.868 -3.877 1.00 0.00 C ATOM 202 H PHE A 14 -0.051 -5.157 -6.739 1.00 0.00 H ATOM 203 HA PHE A 14 -1.908 -6.904 -5.447 1.00 0.00 H ATOM 204 1HB PHE A 14 -2.614 -4.663 -7.341 1.00 0.00 H ATOM 205 2HB PHE A 14 -3.607 -5.362 -6.073 1.00 0.00 H ATOM 206 HD1 PHE A 14 -0.899 -5.260 -4.100 1.00 0.00 H ATOM 207 HD2 PHE A 14 -3.342 -2.487 -6.329 1.00 0.00 H ATOM 208 HE1 PHE A 14 0.102 -3.380 -2.862 1.00 0.00 H ATOM 209 HE2 PHE A 14 -2.350 -0.604 -5.047 1.00 0.00 H ATOM 210 HZ PHE A 14 -0.620 -1.049 -3.322 1.00 0.00 H ATOM 211 N GLN A 15 -1.790 -7.061 -8.757 1.00 0.00 N ATOM 212 CA GLN A 15 -1.956 -7.989 -9.873 1.00 0.00 C ATOM 213 C GLN A 15 -0.643 -8.757 -10.083 1.00 0.00 C ATOM 214 O GLN A 15 -0.218 -8.983 -11.214 1.00 0.00 O ATOM 215 CB GLN A 15 -2.406 -7.245 -11.144 1.00 0.00 C ATOM 216 CG GLN A 15 -3.857 -6.747 -11.074 1.00 0.00 C ATOM 217 CD GLN A 15 -4.014 -5.470 -10.256 1.00 0.00 C ATOM 218 OE1 GLN A 15 -4.402 -5.524 -9.090 1.00 0.00 O ATOM 219 NE2 GLN A 15 -3.735 -4.321 -10.884 1.00 0.00 N ATOM 220 H GLN A 15 -1.233 -6.230 -8.912 1.00 0.00 H ATOM 221 HA GLN A 15 -2.719 -8.733 -9.645 1.00 0.00 H ATOM 222 1HB GLN A 15 -1.733 -6.415 -11.361 1.00 0.00 H ATOM 223 2HB GLN A 15 -2.367 -7.945 -11.979 1.00 0.00 H ATOM 224 1HG GLN A 15 -4.199 -6.543 -12.089 1.00 0.00 H ATOM 225 2HG GLN A 15 -4.493 -7.528 -10.657 1.00 0.00 H ATOM 226 1HE2 GLN A 15 -3.429 -4.354 -11.845 1.00 0.00 H HETATM 227 N NH2 A 16 0.011 -9.174 -8.995 1.00 0.00 N HETATM 228 1HN NH2 A 16 0.896 -9.648 -9.099 1.00 0.00 H HETATM 229 2HN NH2 A 16 -0.347 -8.977 -8.070 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -3.857 -3.017 -10.253 1.00 0.00 C HETATM 232 C2 LNK A 17 -4.090 -1.919 -11.297 1.00 0.00 C HETATM 233 C3 LNK A 17 -2.822 -1.611 -12.105 1.00 0.00 C HETATM 234 C4 LNK A 17 -3.118 -0.765 -13.352 1.00 0.00 C HETATM 235 C5 LNK A 17 -3.624 0.654 -13.051 1.00 0.00 C HETATM 236 H11 LNK A 17 -2.944 -2.818 -9.702 1.00 0.00 H HETATM 237 H12 LNK A 17 -4.702 -3.018 -9.562 1.00 0.00 H HETATM 238 H21 LNK A 17 -4.895 -2.232 -11.964 1.00 0.00 H HETATM 239 H22 LNK A 17 -4.403 -1.018 -10.770 1.00 0.00 H HETATM 240 H31 LNK A 17 -2.098 -1.098 -11.472 1.00 0.00 H HETATM 241 H32 LNK A 17 -2.386 -2.550 -12.443 1.00 0.00 H HETATM 242 H41 LNK A 17 -3.877 -1.282 -13.940 1.00 0.00 H HETATM 243 H42 LNK A 17 -2.214 -0.700 -13.959 1.00 0.00 H HETATM 244 H51 LNK A 17 -4.036 1.075 -13.970 1.00 0.00 H HETATM 245 H52 LNK A 17 -4.427 0.627 -12.316 1.00 0.00 H ENDMDL MODEL 8 HETATM 1 C ACE A 3 0.992 11.279 -9.097 1.00 0.00 C HETATM 2 O ACE A 3 0.370 10.635 -9.940 1.00 0.00 O HETATM 3 CH3 ACE A 3 1.646 12.605 -9.472 1.00 0.00 C HETATM 4 1H ACE A 3 2.726 12.526 -9.351 1.00 0.00 H HETATM 5 2H ACE A 3 1.419 12.854 -10.509 1.00 0.00 H HETATM 6 3H ACE A 3 1.268 13.396 -8.824 1.00 0.00 H ATOM 7 N ARG A 4 1.143 10.886 -7.826 1.00 0.00 N ATOM 8 CA ARG A 4 0.601 9.659 -7.252 1.00 0.00 C ATOM 9 C ARG A 4 1.010 8.421 -8.068 1.00 0.00 C ATOM 10 O ARG A 4 0.147 7.758 -8.643 1.00 0.00 O ATOM 11 CB ARG A 4 -0.927 9.776 -7.089 1.00 0.00 C ATOM 12 CG ARG A 4 -1.388 11.042 -6.348 1.00 0.00 C ATOM 13 CD ARG A 4 -0.824 11.146 -4.926 1.00 0.00 C ATOM 14 NE ARG A 4 -1.406 12.291 -4.211 1.00 0.00 N ATOM 15 CZ ARG A 4 -1.167 12.592 -2.924 1.00 0.00 C ATOM 16 NH1 ARG A 4 -0.335 11.844 -2.185 1.00 0.00 N ATOM 17 NH2 ARG A 4 -1.767 13.653 -2.366 1.00 0.00 N ATOM 18 H ARG A 4 1.669 11.485 -7.207 1.00 0.00 H ATOM 19 HA ARG A 4 1.022 9.539 -6.255 1.00 0.00 H ATOM 20 1HB ARG A 4 -1.399 9.784 -8.073 1.00 0.00 H ATOM 21 2HB ARG A 4 -1.290 8.902 -6.547 1.00 0.00 H ATOM 22 1HG ARG A 4 -1.107 11.930 -6.915 1.00 0.00 H ATOM 23 2HG ARG A 4 -2.477 11.011 -6.286 1.00 0.00 H ATOM 24 1HD ARG A 4 -1.057 10.228 -4.384 1.00 0.00 H ATOM 25 2HD ARG A 4 0.257 11.279 -4.967 1.00 0.00 H ATOM 26 HE ARG A 4 -2.034 12.884 -4.735 1.00 0.00 H ATOM 27 1HH1 ARG A 4 0.122 11.042 -2.594 1.00 0.00 H ATOM 28 2HH1 ARG A 4 -0.162 12.082 -1.219 1.00 0.00 H ATOM 29 1HH2 ARG A 4 -2.393 14.228 -2.911 1.00 0.00 H ATOM 30 2HH2 ARG A 4 -1.597 13.878 -1.397 1.00 0.00 H ATOM 31 N PRO A 5 2.314 8.090 -8.128 1.00 0.00 N ATOM 32 CA PRO A 5 2.831 6.979 -8.915 1.00 0.00 C ATOM 33 C PRO A 5 2.576 5.647 -8.198 1.00 0.00 C ATOM 34 O PRO A 5 3.495 5.039 -7.654 1.00 0.00 O ATOM 35 CB PRO A 5 4.323 7.289 -9.086 1.00 0.00 C ATOM 36 CG PRO A 5 4.669 7.998 -7.777 1.00 0.00 C ATOM 37 CD PRO A 5 3.411 8.825 -7.511 1.00 0.00 C ATOM 38 HA PRO A 5 2.363 6.951 -9.901 1.00 0.00 H ATOM 39 1HB PRO A 5 4.939 6.407 -9.267 1.00 0.00 H ATOM 40 2HB PRO A 5 4.446 7.996 -9.908 1.00 0.00 H ATOM 41 1HG PRO A 5 4.800 7.263 -6.982 1.00 0.00 H ATOM 42 2HG PRO A 5 5.563 8.618 -7.865 1.00 0.00 H ATOM 43 1HD PRO A 5 3.269 8.956 -6.438 1.00 0.00 H ATOM 44 2HD PRO A 5 3.524 9.793 -7.999 1.00 0.00 H ATOM 45 N LEU A 6 1.314 5.201 -8.204 1.00 0.00 N ATOM 46 CA LEU A 6 0.871 3.934 -7.631 1.00 0.00 C ATOM 47 C LEU A 6 0.927 2.803 -8.667 1.00 0.00 C ATOM 48 O LEU A 6 1.041 1.641 -8.285 1.00 0.00 O ATOM 49 CB LEU A 6 -0.550 4.119 -7.070 1.00 0.00 C ATOM 50 CG LEU A 6 -1.097 2.905 -6.294 1.00 0.00 C ATOM 51 CD1 LEU A 6 -0.294 2.617 -5.019 1.00 0.00 C ATOM 52 CD2 LEU A 6 -2.558 3.159 -5.905 1.00 0.00 C ATOM 53 H LEU A 6 0.611 5.788 -8.634 1.00 0.00 H ATOM 54 HA LEU A 6 1.539 3.681 -6.808 1.00 0.00 H ATOM 55 1HB LEU A 6 -0.557 4.983 -6.405 1.00 0.00 H ATOM 56 2HB LEU A 6 -1.220 4.329 -7.906 1.00 0.00 H ATOM 57 HG LEU A 6 -1.078 2.022 -6.932 1.00 0.00 H ATOM 58 1HD1 LEU A 6 -0.289 3.493 -4.371 1.00 0.00 H ATOM 59 2HD1 LEU A 6 -0.745 1.782 -4.482 1.00 0.00 H ATOM 60 3HD1 LEU A 6 0.731 2.347 -5.262 1.00 0.00 H ATOM 61 1HD2 LEU A 6 -3.158 3.309 -6.802 1.00 0.00 H ATOM 62 2HD2 LEU A 6 -2.948 2.297 -5.363 1.00 0.00 H ATOM 63 3HD2 LEU A 6 -2.632 4.042 -5.269 1.00 0.00 H ATOM 64 N GLN A 7 0.833 3.145 -9.963 1.00 0.00 N ATOM 65 CA GLN A 7 0.719 2.238 -11.105 1.00 0.00 C ATOM 66 C GLN A 7 1.600 0.993 -10.976 1.00 0.00 C ATOM 67 O GLN A 7 1.086 -0.123 -10.970 1.00 0.00 O ATOM 68 CB GLN A 7 1.060 3.021 -12.384 1.00 0.00 C ATOM 69 CG GLN A 7 1.060 2.168 -13.662 1.00 0.00 C ATOM 70 CD GLN A 7 -0.316 1.590 -13.978 1.00 0.00 C ATOM 71 OE1 GLN A 7 -1.133 2.261 -14.607 1.00 0.00 O ATOM 72 NE2 GLN A 7 -0.573 0.348 -13.552 1.00 0.00 N ATOM 73 H GLN A 7 0.758 4.128 -10.176 1.00 0.00 H ATOM 74 HA GLN A 7 -0.323 1.919 -11.163 1.00 0.00 H ATOM 75 1HB GLN A 7 0.339 3.831 -12.506 1.00 0.00 H ATOM 76 2HB GLN A 7 2.051 3.464 -12.276 1.00 0.00 H ATOM 77 1HG GLN A 7 1.350 2.813 -14.493 1.00 0.00 H ATOM 78 2HG GLN A 7 1.798 1.368 -13.598 1.00 0.00 H ATOM 79 1HE2 GLN A 7 0.130 -0.150 -13.023 1.00 0.00 H ATOM 80 N TRP A 8 2.921 1.193 -10.898 1.00 0.00 N ATOM 81 CA TRP A 8 3.910 0.126 -10.815 1.00 0.00 C ATOM 82 C TRP A 8 3.634 -0.809 -9.633 1.00 0.00 C ATOM 83 O TRP A 8 3.754 -2.025 -9.766 1.00 0.00 O ATOM 84 CB TRP A 8 5.311 0.744 -10.703 1.00 0.00 C ATOM 85 CG TRP A 8 5.575 1.462 -9.413 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.179 2.719 -9.119 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.152 0.931 -8.182 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.435 2.994 -7.793 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.025 1.918 -7.162 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.724 -0.305 -7.812 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.432 1.685 -5.839 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.167 -0.537 -6.496 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.011 0.450 -5.507 1.00 0.00 C ATOM 94 H TRP A 8 3.262 2.142 -10.923 1.00 0.00 H ATOM 95 HA TRP A 8 3.866 -0.453 -11.739 1.00 0.00 H ATOM 96 1HB TRP A 8 6.045 -0.058 -10.797 1.00 0.00 H ATOM 97 2HB TRP A 8 5.465 1.435 -11.533 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.669 3.386 -9.798 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.178 3.852 -7.323 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.823 -1.086 -8.552 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.284 2.436 -5.078 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.628 -1.480 -6.243 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.331 0.257 -4.494 1.00 0.00 H ATOM 104 N LEU A 9 3.272 -0.229 -8.482 1.00 0.00 N ATOM 105 CA LEU A 9 3.053 -0.928 -7.227 1.00 0.00 C ATOM 106 C LEU A 9 1.835 -1.839 -7.385 1.00 0.00 C ATOM 107 O LEU A 9 1.932 -3.051 -7.198 1.00 0.00 O ATOM 108 CB LEU A 9 2.882 0.116 -6.106 1.00 0.00 C ATOM 109 CG LEU A 9 3.403 -0.339 -4.734 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.437 0.859 -3.777 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.527 -1.426 -4.111 1.00 0.00 C ATOM 112 H LEU A 9 3.149 0.774 -8.475 1.00 0.00 H ATOM 113 HA LEU A 9 3.938 -1.532 -7.021 1.00 0.00 H ATOM 114 1HB LEU A 9 3.454 1.003 -6.377 1.00 0.00 H ATOM 115 2HB LEU A 9 1.838 0.413 -6.016 1.00 0.00 H ATOM 116 HG LEU A 9 4.419 -0.722 -4.842 1.00 0.00 H ATOM 117 1HD1 LEU A 9 4.060 1.651 -4.189 1.00 0.00 H ATOM 118 2HD1 LEU A 9 2.429 1.244 -3.622 1.00 0.00 H ATOM 119 3HD1 LEU A 9 3.854 0.553 -2.817 1.00 0.00 H ATOM 120 1HD2 LEU A 9 1.507 -1.059 -3.999 1.00 0.00 H ATOM 121 2HD2 LEU A 9 2.527 -2.312 -4.739 1.00 0.00 H ATOM 122 3HD2 LEU A 9 2.929 -1.691 -3.133 1.00 0.00 H ATOM 123 N ALA A 10 0.703 -1.247 -7.784 1.00 0.00 N ATOM 124 CA ALA A 10 -0.540 -1.957 -8.039 1.00 0.00 C ATOM 125 C ALA A 10 -0.348 -3.083 -9.053 1.00 0.00 C ATOM 126 O ALA A 10 -0.910 -4.162 -8.882 1.00 0.00 O ATOM 127 CB ALA A 10 -1.608 -0.972 -8.518 1.00 0.00 C ATOM 128 H ALA A 10 0.716 -0.249 -7.949 1.00 0.00 H ATOM 129 HA ALA A 10 -0.875 -2.392 -7.100 1.00 0.00 H ATOM 130 1HB ALA A 10 -1.764 -0.201 -7.764 1.00 0.00 H ATOM 131 2HB ALA A 10 -1.295 -0.503 -9.452 1.00 0.00 H ATOM 132 3HB ALA A 10 -2.546 -1.503 -8.679 1.00 0.00 H ATOM 133 N GLU A 11 0.445 -2.827 -10.099 1.00 0.00 N ATOM 134 CA GLU A 11 0.721 -3.781 -11.158 1.00 0.00 C ATOM 135 C GLU A 11 1.455 -5.010 -10.615 1.00 0.00 C ATOM 136 O GLU A 11 0.920 -6.115 -10.681 1.00 0.00 O ATOM 137 CB GLU A 11 1.514 -3.085 -12.273 1.00 0.00 C ATOM 138 CG GLU A 11 1.689 -3.988 -13.497 1.00 0.00 C ATOM 139 CD GLU A 11 2.384 -3.231 -14.624 1.00 0.00 C ATOM 140 OE1 GLU A 11 1.664 -2.517 -15.357 1.00 0.00 O ATOM 141 OE2 GLU A 11 3.622 -3.367 -14.725 1.00 0.00 O ATOM 142 H GLU A 11 0.865 -1.910 -10.178 1.00 0.00 H ATOM 143 HA GLU A 11 -0.233 -4.103 -11.577 1.00 0.00 H ATOM 144 1HB GLU A 11 0.975 -2.191 -12.583 1.00 0.00 H ATOM 145 2HB GLU A 11 2.495 -2.782 -11.911 1.00 0.00 H ATOM 146 1HG GLU A 11 2.288 -4.861 -13.233 1.00 0.00 H ATOM 147 2HG GLU A 11 0.712 -4.326 -13.844 1.00 0.00 H ATOM 148 N LYS A 12 2.680 -4.830 -10.104 1.00 0.00 N ATOM 149 CA LYS A 12 3.544 -5.956 -9.771 1.00 0.00 C ATOM 150 C LYS A 12 3.035 -6.765 -8.576 1.00 0.00 C ATOM 151 O LYS A 12 3.071 -7.993 -8.618 1.00 0.00 O ATOM 152 CB LYS A 12 5.008 -5.516 -9.609 1.00 0.00 C ATOM 153 CG LYS A 12 5.291 -4.712 -8.336 1.00 0.00 C ATOM 154 CD LYS A 12 6.729 -4.177 -8.296 1.00 0.00 C ATOM 155 CE LYS A 12 7.789 -5.264 -8.075 1.00 0.00 C ATOM 156 NZ LYS A 12 7.641 -5.918 -6.763 1.00 0.00 N ATOM 157 H LYS A 12 3.062 -3.895 -10.041 1.00 0.00 H ATOM 158 HA LYS A 12 3.536 -6.625 -10.634 1.00 0.00 H ATOM 159 1HB LYS A 12 5.621 -6.415 -9.586 1.00 0.00 H ATOM 160 2HB LYS A 12 5.293 -4.920 -10.476 1.00 0.00 H ATOM 161 1HG LYS A 12 4.610 -3.865 -8.291 1.00 0.00 H ATOM 162 2HG LYS A 12 5.122 -5.345 -7.469 1.00 0.00 H ATOM 163 1HD LYS A 12 6.942 -3.653 -9.229 1.00 0.00 H ATOM 164 2HD LYS A 12 6.805 -3.461 -7.478 1.00 0.00 H ATOM 165 1HE LYS A 12 7.739 -6.015 -8.864 1.00 0.00 H ATOM 166 2HE LYS A 12 8.775 -4.800 -8.112 1.00 0.00 H ATOM 167 1HZ LYS A 12 7.699 -5.223 -6.032 1.00 0.00 H ATOM 168 2HZ LYS A 12 6.747 -6.386 -6.711 1.00 0.00 H ATOM 169 3HZ LYS A 12 8.380 -6.596 -6.640 1.00 0.00 H ATOM 170 N TYR A 13 2.585 -6.094 -7.507 1.00 0.00 N ATOM 171 CA TYR A 13 2.221 -6.771 -6.270 1.00 0.00 C ATOM 172 C TYR A 13 0.827 -7.391 -6.361 1.00 0.00 C ATOM 173 O TYR A 13 0.677 -8.598 -6.179 1.00 0.00 O ATOM 174 CB TYR A 13 2.310 -5.806 -5.080 1.00 0.00 C ATOM 175 CG TYR A 13 3.724 -5.485 -4.630 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.354 -6.295 -3.666 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.400 -4.360 -5.136 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.629 -5.955 -3.180 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.665 -4.008 -4.639 1.00 0.00 C ATOM 180 CZ TYR A 13 6.278 -4.803 -3.655 1.00 0.00 C ATOM 181 OH TYR A 13 7.503 -4.460 -3.163 1.00 0.00 O ATOM 182 H TYR A 13 2.545 -5.083 -7.530 1.00 0.00 H ATOM 183 HA TYR A 13 2.932 -7.578 -6.079 1.00 0.00 H ATOM 184 1HB TYR A 13 1.778 -4.883 -5.313 1.00 0.00 H ATOM 185 2HB TYR A 13 1.801 -6.268 -4.234 1.00 0.00 H ATOM 186 HD1 TYR A 13 3.857 -7.178 -3.291 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.967 -3.776 -5.930 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.103 -6.574 -2.432 1.00 0.00 H ATOM 189 HE2 TYR A 13 6.164 -3.131 -5.021 1.00 0.00 H ATOM 190 HH TYR A 13 7.837 -3.633 -3.518 1.00 0.00 H ATOM 191 N PHE A 14 -0.193 -6.561 -6.605 1.00 0.00 N ATOM 192 CA PHE A 14 -1.587 -6.968 -6.490 1.00 0.00 C ATOM 193 C PHE A 14 -2.101 -7.584 -7.791 1.00 0.00 C ATOM 194 O PHE A 14 -2.550 -8.728 -7.795 1.00 0.00 O ATOM 195 CB PHE A 14 -2.435 -5.771 -6.029 1.00 0.00 C ATOM 196 CG PHE A 14 -1.860 -4.974 -4.864 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.169 -5.616 -3.815 1.00 0.00 C ATOM 198 CD2 PHE A 14 -1.949 -3.569 -4.872 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.498 -4.856 -2.842 1.00 0.00 C ATOM 200 CE2 PHE A 14 -1.271 -2.809 -3.903 1.00 0.00 C ATOM 201 CZ PHE A 14 -0.535 -3.452 -2.893 1.00 0.00 C ATOM 202 H PHE A 14 -0.002 -5.584 -6.771 1.00 0.00 H ATOM 203 HA PHE A 14 -1.674 -7.734 -5.717 1.00 0.00 H ATOM 204 1HB PHE A 14 -2.554 -5.089 -6.872 1.00 0.00 H ATOM 205 2HB PHE A 14 -3.425 -6.132 -5.750 1.00 0.00 H ATOM 206 HD1 PHE A 14 -1.127 -6.694 -3.757 1.00 0.00 H ATOM 207 HD2 PHE A 14 -2.531 -3.067 -5.630 1.00 0.00 H ATOM 208 HE1 PHE A 14 0.050 -5.352 -2.054 1.00 0.00 H ATOM 209 HE2 PHE A 14 -1.313 -1.730 -3.935 1.00 0.00 H ATOM 210 HZ PHE A 14 -0.010 -2.871 -2.149 1.00 0.00 H ATOM 211 N GLN A 15 -2.045 -6.827 -8.893 1.00 0.00 N ATOM 212 CA GLN A 15 -2.625 -7.213 -10.172 1.00 0.00 C ATOM 213 C GLN A 15 -1.591 -7.970 -11.011 1.00 0.00 C ATOM 214 O GLN A 15 -1.296 -7.595 -12.144 1.00 0.00 O ATOM 215 CB GLN A 15 -3.153 -5.962 -10.887 1.00 0.00 C ATOM 216 CG GLN A 15 -4.225 -5.254 -10.046 1.00 0.00 C ATOM 217 CD GLN A 15 -4.774 -4.022 -10.756 1.00 0.00 C ATOM 218 OE1 GLN A 15 -5.939 -4.000 -11.147 1.00 0.00 O ATOM 219 NE2 GLN A 15 -3.927 -2.998 -10.912 1.00 0.00 N ATOM 220 H GLN A 15 -1.620 -5.912 -8.831 1.00 0.00 H ATOM 221 HA GLN A 15 -3.475 -7.877 -10.009 1.00 0.00 H ATOM 222 1HB GLN A 15 -2.325 -5.279 -11.081 1.00 0.00 H ATOM 223 2HB GLN A 15 -3.598 -6.255 -11.840 1.00 0.00 H ATOM 224 1HG GLN A 15 -5.045 -5.950 -9.857 1.00 0.00 H ATOM 225 2HG GLN A 15 -3.811 -4.935 -9.090 1.00 0.00 H ATOM 226 1HE2 GLN A 15 -2.984 -3.091 -10.564 1.00 0.00 H HETATM 227 N NH2 A 16 -1.046 -9.054 -10.456 1.00 0.00 N HETATM 228 1HN NH2 A 16 -0.355 -9.586 -10.964 1.00 0.00 H HETATM 229 2HN NH2 A 16 -1.322 -9.329 -9.523 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -4.283 -1.753 -11.574 1.00 0.00 C HETATM 232 C2 LNK A 17 -4.349 -1.942 -13.095 1.00 0.00 C HETATM 233 C3 LNK A 17 -3.070 -2.537 -13.706 1.00 0.00 C HETATM 234 C4 LNK A 17 -1.785 -1.772 -13.364 1.00 0.00 C HETATM 235 C5 LNK A 17 -1.846 -0.307 -13.803 1.00 0.00 C HETATM 236 H11 LNK A 17 -3.543 -0.994 -11.322 1.00 0.00 H HETATM 237 H12 LNK A 17 -5.254 -1.408 -11.214 1.00 0.00 H HETATM 238 H21 LNK A 17 -5.178 -2.610 -13.334 1.00 0.00 H HETATM 239 H22 LNK A 17 -4.562 -0.978 -13.558 1.00 0.00 H HETATM 240 H31 LNK A 17 -2.955 -3.568 -13.369 1.00 0.00 H HETATM 241 H32 LNK A 17 -3.187 -2.552 -14.791 1.00 0.00 H HETATM 242 H41 LNK A 17 -0.966 -2.258 -13.896 1.00 0.00 H HETATM 243 H42 LNK A 17 -1.587 -1.829 -12.294 1.00 0.00 H HETATM 244 H51 LNK A 17 -2.074 -0.264 -14.869 1.00 0.00 H HETATM 245 H52 LNK A 17 -2.620 0.222 -13.248 1.00 0.00 H ENDMDL MODEL 9 HETATM 1 C ACE A 3 0.861 10.907 -9.222 1.00 0.00 C HETATM 2 O ACE A 3 0.775 10.327 -10.302 1.00 0.00 O HETATM 3 CH3 ACE A 3 1.441 12.314 -9.151 1.00 0.00 C HETATM 4 1H ACE A 3 1.698 12.661 -10.152 1.00 0.00 H HETATM 5 2H ACE A 3 0.704 12.990 -8.717 1.00 0.00 H HETATM 6 3H ACE A 3 2.337 12.308 -8.530 1.00 0.00 H ATOM 7 N ARG A 4 0.469 10.371 -8.060 1.00 0.00 N ATOM 8 CA ARG A 4 -0.112 9.044 -7.911 1.00 0.00 C ATOM 9 C ARG A 4 0.798 7.963 -8.520 1.00 0.00 C ATOM 10 O ARG A 4 0.437 7.353 -9.527 1.00 0.00 O ATOM 11 CB ARG A 4 -1.535 9.040 -8.502 1.00 0.00 C ATOM 12 CG ARG A 4 -2.297 7.762 -8.131 1.00 0.00 C ATOM 13 CD ARG A 4 -3.667 7.702 -8.812 1.00 0.00 C ATOM 14 NE ARG A 4 -4.266 6.369 -8.659 1.00 0.00 N ATOM 15 CZ ARG A 4 -3.940 5.292 -9.394 1.00 0.00 C ATOM 16 NH1 ARG A 4 -3.016 5.369 -10.361 1.00 0.00 N ATOM 17 NH2 ARG A 4 -4.537 4.117 -9.161 1.00 0.00 N ATOM 18 H ARG A 4 0.574 10.923 -7.221 1.00 0.00 H ATOM 19 HA ARG A 4 -0.211 8.850 -6.843 1.00 0.00 H ATOM 20 1HB ARG A 4 -2.090 9.893 -8.109 1.00 0.00 H ATOM 21 2HB ARG A 4 -1.481 9.134 -9.587 1.00 0.00 H ATOM 22 1HG ARG A 4 -1.726 6.892 -8.446 1.00 0.00 H ATOM 23 2HG ARG A 4 -2.434 7.716 -7.050 1.00 0.00 H ATOM 24 1HD ARG A 4 -4.324 8.443 -8.356 1.00 0.00 H ATOM 25 2HD ARG A 4 -3.571 7.940 -9.872 1.00 0.00 H ATOM 26 HE ARG A 4 -4.958 6.264 -7.931 1.00 0.00 H ATOM 27 1HH1 ARG A 4 -2.527 6.234 -10.537 1.00 0.00 H ATOM 28 2HH1 ARG A 4 -2.804 4.545 -10.907 1.00 0.00 H ATOM 29 1HH2 ARG A 4 -5.242 4.033 -8.442 1.00 0.00 H ATOM 30 2HH2 ARG A 4 -4.272 3.309 -9.710 1.00 0.00 H ATOM 31 N PRO A 5 1.970 7.687 -7.919 1.00 0.00 N ATOM 32 CA PRO A 5 2.871 6.634 -8.366 1.00 0.00 C ATOM 33 C PRO A 5 2.400 5.285 -7.807 1.00 0.00 C ATOM 34 O PRO A 5 3.133 4.611 -7.087 1.00 0.00 O ATOM 35 CB PRO A 5 4.239 7.058 -7.823 1.00 0.00 C ATOM 36 CG PRO A 5 3.872 7.696 -6.484 1.00 0.00 C ATOM 37 CD PRO A 5 2.549 8.401 -6.791 1.00 0.00 C ATOM 38 HA PRO A 5 2.917 6.579 -9.455 1.00 0.00 H ATOM 39 1HB PRO A 5 4.948 6.236 -7.722 1.00 0.00 H ATOM 40 2HB PRO A 5 4.659 7.824 -8.477 1.00 0.00 H ATOM 41 1HG PRO A 5 3.707 6.913 -5.743 1.00 0.00 H ATOM 42 2HG PRO A 5 4.638 8.388 -6.133 1.00 0.00 H ATOM 43 1HD PRO A 5 1.899 8.373 -5.916 1.00 0.00 H ATOM 44 2HD PRO A 5 2.755 9.432 -7.076 1.00 0.00 H ATOM 45 N LEU A 6 1.154 4.911 -8.119 1.00 0.00 N ATOM 46 CA LEU A 6 0.525 3.676 -7.675 1.00 0.00 C ATOM 47 C LEU A 6 0.764 2.550 -8.679 1.00 0.00 C ATOM 48 O LEU A 6 1.132 1.453 -8.271 1.00 0.00 O ATOM 49 CB LEU A 6 -0.981 3.899 -7.460 1.00 0.00 C ATOM 50 CG LEU A 6 -1.361 4.435 -6.068 1.00 0.00 C ATOM 51 CD1 LEU A 6 -1.298 3.326 -5.009 1.00 0.00 C ATOM 52 CD2 LEU A 6 -0.514 5.633 -5.621 1.00 0.00 C ATOM 53 H LEU A 6 0.608 5.525 -8.709 1.00 0.00 H ATOM 54 HA LEU A 6 0.965 3.356 -6.731 1.00 0.00 H ATOM 55 1HB LEU A 6 -1.343 4.589 -8.221 1.00 0.00 H ATOM 56 2HB LEU A 6 -1.507 2.954 -7.602 1.00 0.00 H ATOM 57 HG LEU A 6 -2.399 4.765 -6.127 1.00 0.00 H ATOM 58 1HD1 LEU A 6 -1.938 2.495 -5.305 1.00 0.00 H ATOM 59 2HD1 LEU A 6 -0.279 2.963 -4.883 1.00 0.00 H ATOM 60 3HD1 LEU A 6 -1.651 3.714 -4.053 1.00 0.00 H ATOM 61 1HD2 LEU A 6 -0.498 6.390 -6.402 1.00 0.00 H ATOM 62 2HD2 LEU A 6 -0.948 6.068 -4.720 1.00 0.00 H ATOM 63 3HD2 LEU A 6 0.508 5.324 -5.401 1.00 0.00 H ATOM 64 N GLN A 7 0.523 2.806 -9.973 1.00 0.00 N ATOM 65 CA GLN A 7 0.484 1.777 -11.008 1.00 0.00 C ATOM 66 C GLN A 7 1.675 0.821 -11.015 1.00 0.00 C ATOM 67 O GLN A 7 1.449 -0.384 -11.064 1.00 0.00 O ATOM 68 CB GLN A 7 0.252 2.382 -12.401 1.00 0.00 C ATOM 69 CG GLN A 7 -1.117 3.068 -12.533 1.00 0.00 C ATOM 70 CD GLN A 7 -2.263 2.174 -12.057 1.00 0.00 C ATOM 71 OE1 GLN A 7 -2.993 2.545 -11.139 1.00 0.00 O ATOM 72 NE2 GLN A 7 -2.379 0.978 -12.644 1.00 0.00 N ATOM 73 H GLN A 7 0.225 3.735 -10.229 1.00 0.00 H ATOM 74 HA GLN A 7 -0.365 1.142 -10.763 1.00 0.00 H ATOM 75 1HB GLN A 7 1.040 3.102 -12.625 1.00 0.00 H ATOM 76 2HB GLN A 7 0.308 1.580 -13.139 1.00 0.00 H ATOM 77 1HG GLN A 7 -1.105 3.985 -11.946 1.00 0.00 H ATOM 78 2HG GLN A 7 -1.281 3.335 -13.578 1.00 0.00 H ATOM 79 1HE2 GLN A 7 -1.751 0.740 -13.397 1.00 0.00 H ATOM 80 N TRP A 8 2.916 1.321 -10.957 1.00 0.00 N ATOM 81 CA TRP A 8 4.102 0.466 -10.942 1.00 0.00 C ATOM 82 C TRP A 8 4.039 -0.568 -9.807 1.00 0.00 C ATOM 83 O TRP A 8 4.496 -1.697 -9.965 1.00 0.00 O ATOM 84 CB TRP A 8 5.372 1.321 -10.831 1.00 0.00 C ATOM 85 CG TRP A 8 5.640 1.883 -9.469 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.195 3.069 -9.003 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.300 1.234 -8.340 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.523 3.199 -7.670 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.192 2.086 -7.203 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.933 -0.013 -8.149 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.683 1.716 -5.941 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.427 -0.395 -6.889 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.306 0.468 -5.786 1.00 0.00 C ATOM 94 H TRP A 8 3.047 2.321 -10.909 1.00 0.00 H ATOM 95 HA TRP A 8 4.146 -0.065 -11.893 1.00 0.00 H ATOM 96 1HB TRP A 8 6.221 0.687 -11.091 1.00 0.00 H ATOM 97 2HB TRP A 8 5.329 2.132 -11.559 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.619 3.786 -9.570 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.255 3.977 -7.082 1.00 0.00 H ATOM 100 HE3 TRP A 8 7.027 -0.689 -8.985 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.557 2.369 -5.091 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.900 -1.359 -6.772 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.683 0.169 -4.818 1.00 0.00 H ATOM 104 N LEU A 9 3.475 -0.163 -8.662 1.00 0.00 N ATOM 105 CA LEU A 9 3.350 -0.963 -7.457 1.00 0.00 C ATOM 106 C LEU A 9 2.191 -1.946 -7.642 1.00 0.00 C ATOM 107 O LEU A 9 2.366 -3.150 -7.483 1.00 0.00 O ATOM 108 CB LEU A 9 3.139 -0.003 -6.269 1.00 0.00 C ATOM 109 CG LEU A 9 3.720 -0.491 -4.934 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.714 0.668 -3.930 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.919 -1.650 -4.339 1.00 0.00 C ATOM 112 H LEU A 9 3.081 0.767 -8.625 1.00 0.00 H ATOM 113 HA LEU A 9 4.280 -1.514 -7.307 1.00 0.00 H ATOM 114 1HB LEU A 9 3.653 0.930 -6.504 1.00 0.00 H ATOM 115 2HB LEU A 9 2.081 0.227 -6.142 1.00 0.00 H ATOM 116 HG LEU A 9 4.752 -0.808 -5.086 1.00 0.00 H ATOM 117 1HD1 LEU A 9 4.298 1.504 -4.312 1.00 0.00 H ATOM 118 2HD1 LEU A 9 2.690 1.000 -3.754 1.00 0.00 H ATOM 119 3HD1 LEU A 9 4.151 0.340 -2.987 1.00 0.00 H ATOM 120 1HD2 LEU A 9 1.890 -1.340 -4.161 1.00 0.00 H ATOM 121 2HD2 LEU A 9 2.926 -2.497 -5.017 1.00 0.00 H ATOM 122 3HD2 LEU A 9 3.372 -1.953 -3.395 1.00 0.00 H ATOM 123 N ALA A 10 1.011 -1.428 -8.003 1.00 0.00 N ATOM 124 CA ALA A 10 -0.216 -2.196 -8.149 1.00 0.00 C ATOM 125 C ALA A 10 -0.083 -3.318 -9.181 1.00 0.00 C ATOM 126 O ALA A 10 -0.511 -4.440 -8.922 1.00 0.00 O ATOM 127 CB ALA A 10 -1.363 -1.253 -8.518 1.00 0.00 C ATOM 128 H ALA A 10 0.956 -0.430 -8.149 1.00 0.00 H ATOM 129 HA ALA A 10 -0.443 -2.643 -7.181 1.00 0.00 H ATOM 130 1HB ALA A 10 -1.473 -0.485 -7.752 1.00 0.00 H ATOM 131 2HB ALA A 10 -1.156 -0.775 -9.475 1.00 0.00 H ATOM 132 3HB ALA A 10 -2.295 -1.816 -8.593 1.00 0.00 H ATOM 133 N GLU A 11 0.509 -3.021 -10.345 1.00 0.00 N ATOM 134 CA GLU A 11 0.686 -3.991 -11.418 1.00 0.00 C ATOM 135 C GLU A 11 1.685 -5.092 -11.050 1.00 0.00 C ATOM 136 O GLU A 11 1.650 -6.165 -11.649 1.00 0.00 O ATOM 137 CB GLU A 11 1.064 -3.281 -12.726 1.00 0.00 C ATOM 138 CG GLU A 11 2.531 -2.837 -12.773 1.00 0.00 C ATOM 139 CD GLU A 11 2.787 -1.907 -13.955 1.00 0.00 C ATOM 140 OE1 GLU A 11 3.450 -2.367 -14.910 1.00 0.00 O ATOM 141 OE2 GLU A 11 2.312 -0.751 -13.887 1.00 0.00 O ATOM 142 H GLU A 11 0.850 -2.082 -10.496 1.00 0.00 H ATOM 143 HA GLU A 11 -0.277 -4.466 -11.595 1.00 0.00 H ATOM 144 1HB GLU A 11 0.891 -3.963 -13.560 1.00 0.00 H ATOM 145 2HB GLU A 11 0.412 -2.415 -12.854 1.00 0.00 H ATOM 146 1HG GLU A 11 2.794 -2.319 -11.855 1.00 0.00 H ATOM 147 2HG GLU A 11 3.175 -3.713 -12.864 1.00 0.00 H ATOM 148 N LYS A 12 2.576 -4.829 -10.085 1.00 0.00 N ATOM 149 CA LYS A 12 3.597 -5.770 -9.651 1.00 0.00 C ATOM 150 C LYS A 12 3.046 -6.658 -8.531 1.00 0.00 C ATOM 151 O LYS A 12 3.108 -7.882 -8.629 1.00 0.00 O ATOM 152 CB LYS A 12 4.849 -4.987 -9.227 1.00 0.00 C ATOM 153 CG LYS A 12 6.059 -5.901 -8.993 1.00 0.00 C ATOM 154 CD LYS A 12 7.263 -5.150 -8.403 1.00 0.00 C ATOM 155 CE LYS A 12 7.679 -3.897 -9.185 1.00 0.00 C ATOM 156 NZ LYS A 12 7.951 -4.184 -10.603 1.00 0.00 N ATOM 157 H LYS A 12 2.539 -3.938 -9.609 1.00 0.00 H ATOM 158 HA LYS A 12 3.882 -6.402 -10.493 1.00 0.00 H ATOM 159 1HB LYS A 12 5.094 -4.294 -10.031 1.00 0.00 H ATOM 160 2HB LYS A 12 4.642 -4.413 -8.325 1.00 0.00 H ATOM 161 1HG LYS A 12 5.788 -6.694 -8.294 1.00 0.00 H ATOM 162 2HG LYS A 12 6.346 -6.365 -9.937 1.00 0.00 H ATOM 163 1HD LYS A 12 7.019 -4.845 -7.386 1.00 0.00 H ATOM 164 2HD LYS A 12 8.111 -5.836 -8.355 1.00 0.00 H ATOM 165 1HE LYS A 12 6.894 -3.144 -9.117 1.00 0.00 H ATOM 166 2HE LYS A 12 8.584 -3.487 -8.735 1.00 0.00 H ATOM 167 1HZ LYS A 12 8.695 -4.863 -10.677 1.00 0.00 H ATOM 168 2HZ LYS A 12 7.117 -4.549 -11.042 1.00 0.00 H ATOM 169 3HZ LYS A 12 8.226 -3.332 -11.069 1.00 0.00 H ATOM 170 N TYR A 13 2.521 -6.037 -7.468 1.00 0.00 N ATOM 171 CA TYR A 13 2.072 -6.709 -6.257 1.00 0.00 C ATOM 172 C TYR A 13 0.576 -7.016 -6.316 1.00 0.00 C ATOM 173 O TYR A 13 0.182 -8.181 -6.302 1.00 0.00 O ATOM 174 CB TYR A 13 2.390 -5.837 -5.033 1.00 0.00 C ATOM 175 CG TYR A 13 3.863 -5.733 -4.684 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.665 -4.737 -5.272 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.412 -6.574 -3.698 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.992 -4.555 -4.848 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.746 -6.405 -3.288 1.00 0.00 C ATOM 180 CZ TYR A 13 6.533 -5.388 -3.856 1.00 0.00 C ATOM 181 OH TYR A 13 7.821 -5.207 -3.444 1.00 0.00 O ATOM 182 H TYR A 13 2.478 -5.028 -7.476 1.00 0.00 H ATOM 183 HA TYR A 13 2.609 -7.652 -6.136 1.00 0.00 H ATOM 184 1HB TYR A 13 1.994 -4.832 -5.189 1.00 0.00 H ATOM 185 2HB TYR A 13 1.871 -6.256 -4.170 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.265 -4.092 -6.035 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.807 -7.342 -3.238 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.593 -3.770 -5.284 1.00 0.00 H ATOM 189 HE2 TYR A 13 6.158 -7.049 -2.525 1.00 0.00 H ATOM 190 HH TYR A 13 8.090 -5.827 -2.762 1.00 0.00 H ATOM 191 N PHE A 14 -0.255 -5.967 -6.339 1.00 0.00 N ATOM 192 CA PHE A 14 -1.699 -6.067 -6.167 1.00 0.00 C ATOM 193 C PHE A 14 -2.404 -6.475 -7.464 1.00 0.00 C ATOM 194 O PHE A 14 -3.174 -5.699 -8.027 1.00 0.00 O ATOM 195 CB PHE A 14 -2.238 -4.741 -5.602 1.00 0.00 C ATOM 196 CG PHE A 14 -1.490 -4.171 -4.405 1.00 0.00 C ATOM 197 CD1 PHE A 14 -0.915 -5.019 -3.436 1.00 0.00 C ATOM 198 CD2 PHE A 14 -1.359 -2.775 -4.267 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.161 -4.479 -2.380 1.00 0.00 C ATOM 200 CE2 PHE A 14 -0.654 -2.234 -3.177 1.00 0.00 C ATOM 201 CZ PHE A 14 -0.045 -3.086 -2.241 1.00 0.00 C ATOM 202 H PHE A 14 0.141 -5.040 -6.379 1.00 0.00 H ATOM 203 HA PHE A 14 -1.917 -6.845 -5.434 1.00 0.00 H ATOM 204 1HB PHE A 14 -2.214 -3.998 -6.401 1.00 0.00 H ATOM 205 2HB PHE A 14 -3.280 -4.884 -5.314 1.00 0.00 H ATOM 206 HD1 PHE A 14 -1.031 -6.090 -3.497 1.00 0.00 H ATOM 207 HD2 PHE A 14 -1.803 -2.110 -4.994 1.00 0.00 H ATOM 208 HE1 PHE A 14 0.325 -5.137 -1.673 1.00 0.00 H ATOM 209 HE2 PHE A 14 -0.572 -1.163 -3.065 1.00 0.00 H ATOM 210 HZ PHE A 14 0.510 -2.670 -1.412 1.00 0.00 H ATOM 211 N GLN A 15 -2.160 -7.713 -7.906 1.00 0.00 N ATOM 212 CA GLN A 15 -2.841 -8.357 -9.022 1.00 0.00 C ATOM 213 C GLN A 15 -3.500 -9.644 -8.523 1.00 0.00 C ATOM 214 O GLN A 15 -3.057 -10.237 -7.541 1.00 0.00 O ATOM 215 CB GLN A 15 -1.834 -8.668 -10.139 1.00 0.00 C ATOM 216 CG GLN A 15 -1.192 -7.413 -10.744 1.00 0.00 C ATOM 217 CD GLN A 15 -2.192 -6.541 -11.503 1.00 0.00 C ATOM 218 OE1 GLN A 15 -2.471 -6.809 -12.671 1.00 0.00 O ATOM 219 NE2 GLN A 15 -2.719 -5.497 -10.849 1.00 0.00 N ATOM 220 H GLN A 15 -1.505 -8.282 -7.383 1.00 0.00 H ATOM 221 HA GLN A 15 -3.626 -7.712 -9.418 1.00 0.00 H ATOM 222 1HB GLN A 15 -1.043 -9.299 -9.729 1.00 0.00 H ATOM 223 2HB GLN A 15 -2.336 -9.224 -10.933 1.00 0.00 H ATOM 224 1HG GLN A 15 -0.694 -6.836 -9.966 1.00 0.00 H ATOM 225 2HG GLN A 15 -0.434 -7.744 -11.454 1.00 0.00 H ATOM 226 1HE2 GLN A 15 -2.445 -5.341 -9.887 1.00 0.00 H HETATM 227 N NH2 A 16 -4.565 -10.081 -9.198 1.00 0.00 N HETATM 228 1HN NH2 A 16 -4.901 -9.570 -10.001 1.00 0.00 H HETATM 229 2HN NH2 A 16 -5.032 -10.925 -8.899 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -3.698 -4.583 -11.422 1.00 0.00 C HETATM 232 C2 LNK A 17 -3.006 -3.334 -11.974 1.00 0.00 C HETATM 233 C3 LNK A 17 -4.028 -2.443 -12.692 1.00 0.00 C HETATM 234 C4 LNK A 17 -3.383 -1.164 -13.237 1.00 0.00 C HETATM 235 C5 LNK A 17 -3.254 -0.078 -12.163 1.00 0.00 C HETATM 236 H11 LNK A 17 -4.399 -4.282 -10.642 1.00 0.00 H HETATM 237 H12 LNK A 17 -4.258 -5.072 -12.220 1.00 0.00 H HETATM 238 H21 LNK A 17 -2.535 -2.792 -11.154 1.00 0.00 H HETATM 239 H22 LNK A 17 -2.241 -3.633 -12.691 1.00 0.00 H HETATM 240 H31 LNK A 17 -4.430 -3.007 -13.535 1.00 0.00 H HETATM 241 H32 LNK A 17 -4.849 -2.187 -12.021 1.00 0.00 H HETATM 242 H41 LNK A 17 -4.006 -0.769 -14.040 1.00 0.00 H HETATM 243 H42 LNK A 17 -2.401 -1.407 -13.647 1.00 0.00 H HETATM 244 H51 LNK A 17 -4.243 0.320 -11.931 1.00 0.00 H HETATM 245 H52 LNK A 17 -2.819 -0.497 -11.257 1.00 0.00 H ENDMDL MODEL 10 HETATM 1 C ACE A 3 1.184 11.461 -6.183 1.00 0.00 C HETATM 2 O ACE A 3 2.154 11.487 -5.428 1.00 0.00 O HETATM 3 CH3 ACE A 3 0.724 12.734 -6.882 1.00 0.00 C HETATM 4 1H ACE A 3 -0.319 12.933 -6.632 1.00 0.00 H HETATM 5 2H ACE A 3 1.338 13.575 -6.558 1.00 0.00 H HETATM 6 3H ACE A 3 0.823 12.612 -7.961 1.00 0.00 H ATOM 7 N ARG A 4 0.480 10.353 -6.442 1.00 0.00 N ATOM 8 CA ARG A 4 0.774 9.044 -5.875 1.00 0.00 C ATOM 9 C ARG A 4 0.730 7.991 -6.989 1.00 0.00 C ATOM 10 O ARG A 4 -0.248 7.251 -7.090 1.00 0.00 O ATOM 11 CB ARG A 4 -0.218 8.733 -4.742 1.00 0.00 C ATOM 12 CG ARG A 4 -0.070 9.724 -3.578 1.00 0.00 C ATOM 13 CD ARG A 4 -0.875 9.269 -2.355 1.00 0.00 C ATOM 14 NE ARG A 4 -2.315 9.190 -2.638 1.00 0.00 N ATOM 15 CZ ARG A 4 -3.168 10.228 -2.640 1.00 0.00 C ATOM 16 NH1 ARG A 4 -2.737 11.481 -2.441 1.00 0.00 N ATOM 17 NH2 ARG A 4 -4.474 10.008 -2.843 1.00 0.00 N ATOM 18 H ARG A 4 -0.305 10.418 -7.075 1.00 0.00 H ATOM 19 HA ARG A 4 1.768 9.026 -5.429 1.00 0.00 H ATOM 20 1HB ARG A 4 -1.241 8.765 -5.122 1.00 0.00 H ATOM 21 2HB ARG A 4 -0.011 7.729 -4.370 1.00 0.00 H ATOM 22 1HG ARG A 4 0.981 9.785 -3.289 1.00 0.00 H ATOM 23 2HG ARG A 4 -0.405 10.714 -3.886 1.00 0.00 H ATOM 24 1HD ARG A 4 -0.528 8.280 -2.053 1.00 0.00 H ATOM 25 2HD ARG A 4 -0.693 9.954 -1.526 1.00 0.00 H ATOM 26 HE ARG A 4 -2.683 8.268 -2.823 1.00 0.00 H ATOM 27 1HH1 ARG A 4 -1.753 11.662 -2.301 1.00 0.00 H ATOM 28 2HH1 ARG A 4 -3.392 12.249 -2.436 1.00 0.00 H ATOM 29 1HH2 ARG A 4 -4.813 9.068 -2.991 1.00 0.00 H ATOM 30 2HH2 ARG A 4 -5.124 10.780 -2.837 1.00 0.00 H ATOM 31 N PRO A 5 1.776 7.906 -7.833 1.00 0.00 N ATOM 32 CA PRO A 5 1.866 6.937 -8.916 1.00 0.00 C ATOM 33 C PRO A 5 2.225 5.560 -8.352 1.00 0.00 C ATOM 34 O PRO A 5 3.366 5.118 -8.456 1.00 0.00 O ATOM 35 CB PRO A 5 2.936 7.497 -9.859 1.00 0.00 C ATOM 36 CG PRO A 5 3.886 8.224 -8.909 1.00 0.00 C ATOM 37 CD PRO A 5 2.939 8.786 -7.847 1.00 0.00 C ATOM 38 HA PRO A 5 0.928 6.850 -9.467 1.00 0.00 H ATOM 39 1HB PRO A 5 3.435 6.732 -10.455 1.00 0.00 H ATOM 40 2HB PRO A 5 2.477 8.234 -10.520 1.00 0.00 H ATOM 41 1HG PRO A 5 4.571 7.508 -8.454 1.00 0.00 H ATOM 42 2HG PRO A 5 4.449 9.009 -9.414 1.00 0.00 H ATOM 43 1HD PRO A 5 3.450 8.817 -6.884 1.00 0.00 H ATOM 44 2HD PRO A 5 2.631 9.790 -8.142 1.00 0.00 H ATOM 45 N LEU A 6 1.233 4.876 -7.771 1.00 0.00 N ATOM 46 CA LEU A 6 1.353 3.501 -7.302 1.00 0.00 C ATOM 47 C LEU A 6 0.966 2.500 -8.400 1.00 0.00 C ATOM 48 O LEU A 6 0.694 1.343 -8.091 1.00 0.00 O ATOM 49 CB LEU A 6 0.481 3.296 -6.053 1.00 0.00 C ATOM 50 CG LEU A 6 0.712 4.328 -4.936 1.00 0.00 C ATOM 51 CD1 LEU A 6 -0.182 3.974 -3.742 1.00 0.00 C ATOM 52 CD2 LEU A 6 2.174 4.376 -4.478 1.00 0.00 C ATOM 53 H LEU A 6 0.332 5.327 -7.676 1.00 0.00 H ATOM 54 HA LEU A 6 2.388 3.291 -7.028 1.00 0.00 H ATOM 55 1HB LEU A 6 -0.568 3.343 -6.352 1.00 0.00 H ATOM 56 2HB LEU A 6 0.678 2.301 -5.653 1.00 0.00 H ATOM 57 HG LEU A 6 0.424 5.319 -5.286 1.00 0.00 H ATOM 58 1HD1 LEU A 6 0.064 2.979 -3.371 1.00 0.00 H ATOM 59 2HD1 LEU A 6 -0.038 4.700 -2.942 1.00 0.00 H ATOM 60 3HD1 LEU A 6 -1.229 3.992 -4.048 1.00 0.00 H ATOM 61 1HD2 LEU A 6 2.505 3.380 -4.186 1.00 0.00 H ATOM 62 2HD2 LEU A 6 2.812 4.753 -5.277 1.00 0.00 H ATOM 63 3HD2 LEU A 6 2.265 5.043 -3.620 1.00 0.00 H ATOM 64 N GLN A 7 0.930 2.923 -9.672 1.00 0.00 N ATOM 65 CA GLN A 7 0.548 2.069 -10.789 1.00 0.00 C ATOM 66 C GLN A 7 1.528 0.905 -10.923 1.00 0.00 C ATOM 67 O GLN A 7 1.112 -0.249 -10.928 1.00 0.00 O ATOM 68 CB GLN A 7 0.499 2.899 -12.080 1.00 0.00 C ATOM 69 CG GLN A 7 -0.009 2.098 -13.288 1.00 0.00 C ATOM 70 CD GLN A 7 -1.520 1.884 -13.248 1.00 0.00 C ATOM 71 OE1 GLN A 7 -2.261 2.717 -13.767 1.00 0.00 O ATOM 72 NE2 GLN A 7 -1.986 0.784 -12.640 1.00 0.00 N ATOM 73 H GLN A 7 1.155 3.884 -9.879 1.00 0.00 H ATOM 74 HA GLN A 7 -0.448 1.674 -10.584 1.00 0.00 H ATOM 75 1HB GLN A 7 -0.151 3.763 -11.932 1.00 0.00 H ATOM 76 2HB GLN A 7 1.502 3.266 -12.303 1.00 0.00 H ATOM 77 1HG GLN A 7 0.220 2.673 -14.186 1.00 0.00 H ATOM 78 2HG GLN A 7 0.504 1.141 -13.370 1.00 0.00 H ATOM 79 1HE2 GLN A 7 -1.342 0.123 -12.229 1.00 0.00 H ATOM 80 N TRP A 8 2.825 1.220 -11.019 1.00 0.00 N ATOM 81 CA TRP A 8 3.900 0.236 -11.111 1.00 0.00 C ATOM 82 C TRP A 8 3.831 -0.758 -9.944 1.00 0.00 C ATOM 83 O TRP A 8 4.026 -1.958 -10.127 1.00 0.00 O ATOM 84 CB TRP A 8 5.253 0.963 -11.143 1.00 0.00 C ATOM 85 CG TRP A 8 5.624 1.661 -9.870 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.239 2.906 -9.515 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.338 1.123 -8.717 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.627 3.166 -8.217 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.295 2.088 -7.669 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.976 -0.104 -8.436 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.843 1.839 -6.401 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.546 -0.357 -7.175 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.468 0.606 -6.155 1.00 0.00 C ATOM 94 H TRP A 8 3.078 2.199 -10.992 1.00 0.00 H ATOM 95 HA TRP A 8 3.788 -0.311 -12.049 1.00 0.00 H ATOM 96 1HB TRP A 8 6.030 0.232 -11.364 1.00 0.00 H ATOM 97 2HB TRP A 8 5.246 1.692 -11.955 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.658 3.573 -10.134 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.420 4.016 -7.710 1.00 0.00 H ATOM 100 HE3 TRP A 8 7.023 -0.862 -9.200 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.766 2.576 -5.616 1.00 0.00 H ATOM 102 HZ3 TRP A 8 8.038 -1.299 -6.987 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.877 0.386 -5.178 1.00 0.00 H ATOM 104 N LEU A 9 3.544 -0.234 -8.747 1.00 0.00 N ATOM 105 CA LEU A 9 3.478 -0.972 -7.499 1.00 0.00 C ATOM 106 C LEU A 9 2.322 -1.973 -7.574 1.00 0.00 C ATOM 107 O LEU A 9 2.507 -3.159 -7.315 1.00 0.00 O ATOM 108 CB LEU A 9 3.326 0.048 -6.352 1.00 0.00 C ATOM 109 CG LEU A 9 4.047 -0.351 -5.055 1.00 0.00 C ATOM 110 CD1 LEU A 9 4.041 0.830 -4.079 1.00 0.00 C ATOM 111 CD2 LEU A 9 3.380 -1.546 -4.376 1.00 0.00 C ATOM 112 H LEU A 9 3.370 0.760 -8.699 1.00 0.00 H ATOM 113 HA LEU A 9 4.417 -1.516 -7.377 1.00 0.00 H ATOM 114 1HB LEU A 9 3.774 0.990 -6.672 1.00 0.00 H ATOM 115 2HB LEU A 9 2.273 0.239 -6.145 1.00 0.00 H ATOM 116 HG LEU A 9 5.082 -0.605 -5.280 1.00 0.00 H ATOM 117 1HD1 LEU A 9 4.502 1.703 -4.540 1.00 0.00 H ATOM 118 2HD1 LEU A 9 3.015 1.070 -3.799 1.00 0.00 H ATOM 119 3HD1 LEU A 9 4.605 0.570 -3.183 1.00 0.00 H ATOM 120 1HD2 LEU A 9 2.335 -1.318 -4.171 1.00 0.00 H ATOM 121 2HD2 LEU A 9 3.443 -2.419 -5.018 1.00 0.00 H ATOM 122 3HD2 LEU A 9 3.892 -1.762 -3.439 1.00 0.00 H ATOM 123 N ALA A 10 1.139 -1.496 -7.975 1.00 0.00 N ATOM 124 CA ALA A 10 -0.064 -2.300 -8.104 1.00 0.00 C ATOM 125 C ALA A 10 0.098 -3.395 -9.158 1.00 0.00 C ATOM 126 O ALA A 10 -0.238 -4.542 -8.891 1.00 0.00 O ATOM 127 CB ALA A 10 -1.254 -1.395 -8.421 1.00 0.00 C ATOM 128 H ALA A 10 1.066 -0.512 -8.199 1.00 0.00 H ATOM 129 HA ALA A 10 -0.248 -2.780 -7.143 1.00 0.00 H ATOM 130 1HB ALA A 10 -1.073 -0.855 -9.351 1.00 0.00 H ATOM 131 2HB ALA A 10 -2.158 -1.995 -8.524 1.00 0.00 H ATOM 132 3HB ALA A 10 -1.393 -0.679 -7.611 1.00 0.00 H ATOM 133 N GLU A 11 0.619 -3.055 -10.342 1.00 0.00 N ATOM 134 CA GLU A 11 0.857 -4.007 -11.421 1.00 0.00 C ATOM 135 C GLU A 11 1.730 -5.181 -10.969 1.00 0.00 C ATOM 136 O GLU A 11 1.509 -6.308 -11.407 1.00 0.00 O ATOM 137 CB GLU A 11 1.498 -3.292 -12.614 1.00 0.00 C ATOM 138 CG GLU A 11 0.474 -2.415 -13.342 1.00 0.00 C ATOM 139 CD GLU A 11 1.124 -1.636 -14.481 1.00 0.00 C ATOM 140 OE1 GLU A 11 0.699 -1.854 -15.635 1.00 0.00 O ATOM 141 OE2 GLU A 11 2.036 -0.834 -14.178 1.00 0.00 O ATOM 142 H GLU A 11 0.879 -2.091 -10.499 1.00 0.00 H ATOM 143 HA GLU A 11 -0.104 -4.411 -11.741 1.00 0.00 H ATOM 144 1HB GLU A 11 2.338 -2.689 -12.265 1.00 0.00 H ATOM 145 2HB GLU A 11 1.874 -4.036 -13.320 1.00 0.00 H ATOM 146 1HG GLU A 11 -0.311 -3.055 -13.747 1.00 0.00 H ATOM 147 2HG GLU A 11 0.017 -1.708 -12.652 1.00 0.00 H ATOM 148 N LYS A 12 2.716 -4.924 -10.102 1.00 0.00 N ATOM 149 CA LYS A 12 3.574 -5.959 -9.548 1.00 0.00 C ATOM 150 C LYS A 12 2.837 -6.740 -8.456 1.00 0.00 C ATOM 151 O LYS A 12 2.617 -7.941 -8.597 1.00 0.00 O ATOM 152 CB LYS A 12 4.865 -5.322 -9.019 1.00 0.00 C ATOM 153 CG LYS A 12 5.737 -4.826 -10.176 1.00 0.00 C ATOM 154 CD LYS A 12 6.913 -4.008 -9.631 1.00 0.00 C ATOM 155 CE LYS A 12 7.801 -3.463 -10.756 1.00 0.00 C ATOM 156 NZ LYS A 12 7.063 -2.558 -11.654 1.00 0.00 N ATOM 157 H LYS A 12 2.869 -3.972 -9.796 1.00 0.00 H ATOM 158 HA LYS A 12 3.852 -6.661 -10.336 1.00 0.00 H ATOM 159 1HB LYS A 12 4.613 -4.483 -8.372 1.00 0.00 H ATOM 160 2HB LYS A 12 5.429 -6.058 -8.444 1.00 0.00 H ATOM 161 1HG LYS A 12 6.115 -5.679 -10.740 1.00 0.00 H ATOM 162 2HG LYS A 12 5.137 -4.207 -10.841 1.00 0.00 H ATOM 163 1HD LYS A 12 6.529 -3.176 -9.041 1.00 0.00 H ATOM 164 2HD LYS A 12 7.516 -4.645 -8.981 1.00 0.00 H ATOM 165 1HE LYS A 12 8.630 -2.911 -10.310 1.00 0.00 H ATOM 166 2HE LYS A 12 8.204 -4.293 -11.338 1.00 0.00 H ATOM 167 1HZ LYS A 12 6.654 -1.807 -11.117 1.00 0.00 H ATOM 168 2HZ LYS A 12 7.695 -2.176 -12.343 1.00 0.00 H ATOM 169 3HZ LYS A 12 6.330 -3.071 -12.124 1.00 0.00 H ATOM 170 N TYR A 13 2.481 -6.062 -7.359 1.00 0.00 N ATOM 171 CA TYR A 13 1.923 -6.681 -6.165 1.00 0.00 C ATOM 172 C TYR A 13 0.431 -6.970 -6.345 1.00 0.00 C ATOM 173 O TYR A 13 0.020 -8.129 -6.365 1.00 0.00 O ATOM 174 CB TYR A 13 2.161 -5.776 -4.946 1.00 0.00 C ATOM 175 CG TYR A 13 3.595 -5.735 -4.445 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.563 -4.953 -5.104 1.00 0.00 C ATOM 177 CD2 TYR A 13 3.949 -6.431 -3.273 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.861 -4.837 -4.579 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.254 -6.333 -2.759 1.00 0.00 C ATOM 180 CZ TYR A 13 6.208 -5.530 -3.408 1.00 0.00 C ATOM 181 OH TYR A 13 7.471 -5.417 -2.904 1.00 0.00 O ATOM 182 H TYR A 13 2.649 -5.066 -7.333 1.00 0.00 H ATOM 183 HA TYR A 13 2.431 -7.629 -5.977 1.00 0.00 H ATOM 184 1HB TYR A 13 1.838 -4.760 -5.173 1.00 0.00 H ATOM 185 2HB TYR A 13 1.531 -6.142 -4.133 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.318 -4.422 -6.007 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.219 -7.037 -2.756 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.587 -4.204 -5.069 1.00 0.00 H ATOM 189 HE2 TYR A 13 5.517 -6.871 -1.860 1.00 0.00 H ATOM 190 HH TYR A 13 7.615 -5.930 -2.105 1.00 0.00 H ATOM 191 N PHE A 14 -0.380 -5.911 -6.440 1.00 0.00 N ATOM 192 CA PHE A 14 -1.836 -5.980 -6.411 1.00 0.00 C ATOM 193 C PHE A 14 -2.393 -6.315 -7.801 1.00 0.00 C ATOM 194 O PHE A 14 -3.161 -5.543 -8.373 1.00 0.00 O ATOM 195 CB PHE A 14 -2.393 -4.653 -5.862 1.00 0.00 C ATOM 196 CG PHE A 14 -1.693 -4.109 -4.622 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.312 -4.973 -3.575 1.00 0.00 C ATOM 198 CD2 PHE A 14 -1.367 -2.740 -4.541 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.542 -4.488 -2.503 1.00 0.00 C ATOM 200 CE2 PHE A 14 -0.611 -2.252 -3.460 1.00 0.00 C ATOM 201 CZ PHE A 14 -0.182 -3.130 -2.451 1.00 0.00 C ATOM 202 H PHE A 14 0.035 -4.991 -6.469 1.00 0.00 H ATOM 203 HA PHE A 14 -2.142 -6.778 -5.732 1.00 0.00 H ATOM 204 1HB PHE A 14 -2.316 -3.900 -6.648 1.00 0.00 H ATOM 205 2HB PHE A 14 -3.451 -4.787 -5.634 1.00 0.00 H ATOM 206 HD1 PHE A 14 -1.590 -6.016 -3.595 1.00 0.00 H ATOM 207 HD2 PHE A 14 -1.688 -2.055 -5.312 1.00 0.00 H ATOM 208 HE1 PHE A 14 -0.222 -5.159 -1.719 1.00 0.00 H ATOM 209 HE2 PHE A 14 -0.356 -1.203 -3.406 1.00 0.00 H ATOM 210 HZ PHE A 14 0.419 -2.760 -1.633 1.00 0.00 H ATOM 211 N GLN A 15 -1.996 -7.474 -8.344 1.00 0.00 N ATOM 212 CA GLN A 15 -2.377 -7.914 -9.679 1.00 0.00 C ATOM 213 C GLN A 15 -2.304 -9.439 -9.770 1.00 0.00 C ATOM 214 O GLN A 15 -3.259 -10.080 -10.201 1.00 0.00 O ATOM 215 CB GLN A 15 -1.463 -7.241 -10.715 1.00 0.00 C ATOM 216 CG GLN A 15 -2.034 -7.258 -12.139 1.00 0.00 C ATOM 217 CD GLN A 15 -3.347 -6.485 -12.252 1.00 0.00 C ATOM 218 OE1 GLN A 15 -4.370 -7.069 -12.604 1.00 0.00 O ATOM 219 NE2 GLN A 15 -3.325 -5.181 -11.942 1.00 0.00 N ATOM 220 H GLN A 15 -1.363 -8.057 -7.813 1.00 0.00 H ATOM 221 HA GLN A 15 -3.413 -7.618 -9.851 1.00 0.00 H ATOM 222 1HB GLN A 15 -1.306 -6.202 -10.437 1.00 0.00 H ATOM 223 2HB GLN A 15 -0.495 -7.742 -10.714 1.00 0.00 H ATOM 224 1HG GLN A 15 -1.307 -6.804 -12.812 1.00 0.00 H ATOM 225 2HG GLN A 15 -2.194 -8.291 -12.450 1.00 0.00 H ATOM 226 1HE2 GLN A 15 -2.458 -4.754 -11.649 1.00 0.00 H HETATM 227 N NH2 A 16 -1.175 -10.026 -9.364 1.00 0.00 N HETATM 228 1HN NH2 A 16 -0.409 -9.468 -9.014 1.00 0.00 H HETATM 229 2HN NH2 A 16 -1.090 -11.031 -9.410 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -4.531 -4.370 -11.923 1.00 0.00 C HETATM 232 C2 LNK A 17 -4.286 -3.016 -11.245 1.00 0.00 C HETATM 233 C3 LNK A 17 -3.620 -1.983 -12.167 1.00 0.00 C HETATM 234 C4 LNK A 17 -3.723 -0.592 -11.525 1.00 0.00 C HETATM 235 C5 LNK A 17 -3.417 0.554 -12.497 1.00 0.00 C HETATM 236 H11 LNK A 17 -5.294 -4.897 -11.347 1.00 0.00 H HETATM 237 H12 LNK A 17 -4.902 -4.225 -12.940 1.00 0.00 H HETATM 238 H21 LNK A 17 -5.265 -2.635 -10.955 1.00 0.00 H HETATM 239 H22 LNK A 17 -3.691 -3.152 -10.340 1.00 0.00 H HETATM 240 H31 LNK A 17 -2.576 -2.247 -12.339 1.00 0.00 H HETATM 241 H32 LNK A 17 -4.148 -1.970 -13.121 1.00 0.00 H HETATM 242 H41 LNK A 17 -3.075 -0.530 -10.651 1.00 0.00 H HETATM 243 H42 LNK A 17 -4.753 -0.445 -11.195 1.00 0.00 H HETATM 244 H51 LNK A 17 -3.868 0.355 -13.470 1.00 0.00 H HETATM 245 H52 LNK A 17 -3.867 1.462 -12.089 1.00 0.00 H ENDMDL MODEL 11 HETATM 1 C ACE A 3 0.559 11.033 -10.062 1.00 0.00 C HETATM 2 O ACE A 3 1.786 11.041 -9.974 1.00 0.00 O HETATM 3 CH3 ACE A 3 -0.136 11.820 -11.165 1.00 0.00 C HETATM 4 1H ACE A 3 -0.667 11.135 -11.826 1.00 0.00 H HETATM 5 2H ACE A 3 -0.845 12.521 -10.724 1.00 0.00 H HETATM 6 3H ACE A 3 0.603 12.377 -11.743 1.00 0.00 H ATOM 7 N ARG A 4 -0.229 10.356 -9.220 1.00 0.00 N ATOM 8 CA ARG A 4 0.286 9.560 -8.115 1.00 0.00 C ATOM 9 C ARG A 4 0.949 8.295 -8.681 1.00 0.00 C ATOM 10 O ARG A 4 0.271 7.537 -9.374 1.00 0.00 O ATOM 11 CB ARG A 4 -0.858 9.187 -7.155 1.00 0.00 C ATOM 12 CG ARG A 4 -1.673 10.378 -6.625 1.00 0.00 C ATOM 13 CD ARG A 4 -0.815 11.373 -5.834 1.00 0.00 C ATOM 14 NE ARG A 4 -1.631 12.435 -5.231 1.00 0.00 N ATOM 15 CZ ARG A 4 -2.326 12.330 -4.085 1.00 0.00 C ATOM 16 NH1 ARG A 4 -2.380 11.171 -3.412 1.00 0.00 N ATOM 17 NH2 ARG A 4 -2.973 13.403 -3.610 1.00 0.00 N ATOM 18 H ARG A 4 -1.228 10.373 -9.365 1.00 0.00 H ATOM 19 HA ARG A 4 1.002 10.169 -7.567 1.00 0.00 H ATOM 20 1HB ARG A 4 -1.546 8.514 -7.668 1.00 0.00 H ATOM 21 2HB ARG A 4 -0.433 8.652 -6.305 1.00 0.00 H ATOM 22 1HG ARG A 4 -2.165 10.898 -7.448 1.00 0.00 H ATOM 23 2HG ARG A 4 -2.449 9.980 -5.970 1.00 0.00 H ATOM 24 1HD ARG A 4 -0.257 10.848 -5.058 1.00 0.00 H ATOM 25 2HD ARG A 4 -0.103 11.853 -6.505 1.00 0.00 H ATOM 26 HE ARG A 4 -1.634 13.325 -5.710 1.00 0.00 H ATOM 27 1HH1 ARG A 4 -1.911 10.354 -3.776 1.00 0.00 H ATOM 28 2HH1 ARG A 4 -2.896 11.105 -2.546 1.00 0.00 H ATOM 29 1HH2 ARG A 4 -2.932 14.280 -4.109 1.00 0.00 H ATOM 30 2HH2 ARG A 4 -3.500 13.341 -2.751 1.00 0.00 H ATOM 31 N PRO A 5 2.247 8.045 -8.418 1.00 0.00 N ATOM 32 CA PRO A 5 2.977 6.908 -8.967 1.00 0.00 C ATOM 33 C PRO A 5 2.678 5.642 -8.156 1.00 0.00 C ATOM 34 O PRO A 5 3.562 5.080 -7.515 1.00 0.00 O ATOM 35 CB PRO A 5 4.450 7.324 -8.894 1.00 0.00 C ATOM 36 CG PRO A 5 4.489 8.151 -7.610 1.00 0.00 C ATOM 37 CD PRO A 5 3.147 8.884 -7.640 1.00 0.00 C ATOM 38 HA PRO A 5 2.709 6.735 -10.011 1.00 0.00 H ATOM 39 1HB PRO A 5 5.147 6.485 -8.878 1.00 0.00 H ATOM 40 2HB PRO A 5 4.682 7.973 -9.740 1.00 0.00 H ATOM 41 1HG PRO A 5 4.522 7.483 -6.749 1.00 0.00 H ATOM 42 2HG PRO A 5 5.337 8.836 -7.586 1.00 0.00 H ATOM 43 1HD PRO A 5 2.779 9.035 -6.624 1.00 0.00 H ATOM 44 2HD PRO A 5 3.280 9.844 -8.141 1.00 0.00 H ATOM 45 N LEU A 6 1.413 5.208 -8.176 1.00 0.00 N ATOM 46 CA LEU A 6 0.939 3.973 -7.566 1.00 0.00 C ATOM 47 C LEU A 6 0.992 2.805 -8.558 1.00 0.00 C ATOM 48 O LEU A 6 1.207 1.668 -8.147 1.00 0.00 O ATOM 49 CB LEU A 6 -0.482 4.210 -7.035 1.00 0.00 C ATOM 50 CG LEU A 6 -1.096 2.999 -6.313 1.00 0.00 C ATOM 51 CD1 LEU A 6 -0.302 2.606 -5.062 1.00 0.00 C ATOM 52 CD2 LEU A 6 -2.532 3.338 -5.903 1.00 0.00 C ATOM 53 H LEU A 6 0.737 5.754 -8.692 1.00 0.00 H ATOM 54 HA LEU A 6 1.586 3.735 -6.722 1.00 0.00 H ATOM 55 1HB LEU A 6 -0.458 5.051 -6.340 1.00 0.00 H ATOM 56 2HB LEU A 6 -1.124 4.483 -7.873 1.00 0.00 H ATOM 57 HG LEU A 6 -1.137 2.146 -6.991 1.00 0.00 H ATOM 58 1HD1 LEU A 6 -0.212 3.461 -4.391 1.00 0.00 H ATOM 59 2HD1 LEU A 6 -0.816 1.797 -4.542 1.00 0.00 H ATOM 60 3HD1 LEU A 6 0.693 2.257 -5.333 1.00 0.00 H ATOM 61 1HD2 LEU A 6 -3.112 3.608 -6.786 1.00 0.00 H ATOM 62 2HD2 LEU A 6 -2.991 2.469 -5.431 1.00 0.00 H ATOM 63 3HD2 LEU A 6 -2.533 4.172 -5.202 1.00 0.00 H ATOM 64 N GLN A 7 0.762 3.087 -9.848 1.00 0.00 N ATOM 65 CA GLN A 7 0.557 2.122 -10.925 1.00 0.00 C ATOM 66 C GLN A 7 1.546 0.948 -10.905 1.00 0.00 C ATOM 67 O GLN A 7 1.119 -0.204 -10.912 1.00 0.00 O ATOM 68 CB GLN A 7 0.565 2.886 -12.261 1.00 0.00 C ATOM 69 CG GLN A 7 0.588 2.042 -13.546 1.00 0.00 C ATOM 70 CD GLN A 7 -0.615 1.116 -13.750 1.00 0.00 C ATOM 71 OE1 GLN A 7 -1.190 0.600 -12.795 1.00 0.00 O ATOM 72 NE2 GLN A 7 -0.974 0.881 -15.019 1.00 0.00 N ATOM 73 H GLN A 7 0.605 4.054 -10.088 1.00 0.00 H ATOM 74 HA GLN A 7 -0.441 1.713 -10.768 1.00 0.00 H ATOM 75 1HB GLN A 7 -0.304 3.545 -12.290 1.00 0.00 H ATOM 76 2HB GLN A 7 1.460 3.511 -12.283 1.00 0.00 H ATOM 77 1HG GLN A 7 0.630 2.738 -14.384 1.00 0.00 H ATOM 78 2HG GLN A 7 1.498 1.444 -13.571 1.00 0.00 H ATOM 79 1HE2 GLN A 7 -0.472 1.346 -15.761 1.00 0.00 H ATOM 80 N TRP A 8 2.856 1.230 -10.873 1.00 0.00 N ATOM 81 CA TRP A 8 3.896 0.203 -10.824 1.00 0.00 C ATOM 82 C TRP A 8 3.656 -0.771 -9.661 1.00 0.00 C ATOM 83 O TRP A 8 3.725 -1.986 -9.839 1.00 0.00 O ATOM 84 CB TRP A 8 5.283 0.860 -10.716 1.00 0.00 C ATOM 85 CG TRP A 8 5.566 1.545 -9.412 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.149 2.785 -9.078 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.188 0.999 -8.207 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.426 3.030 -7.750 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.049 1.953 -7.158 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.807 -0.226 -7.876 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.478 1.698 -5.847 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.263 -0.486 -6.570 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.093 0.470 -5.554 1.00 0.00 C ATOM 94 H TRP A 8 3.144 2.197 -10.872 1.00 0.00 H ATOM 95 HA TRP A 8 3.862 -0.357 -11.761 1.00 0.00 H ATOM 96 1HB TRP A 8 6.036 0.083 -10.854 1.00 0.00 H ATOM 97 2HB TRP A 8 5.400 1.582 -11.526 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.608 3.460 -9.726 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.161 3.869 -7.250 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.932 -0.976 -8.639 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.308 2.426 -5.068 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.742 -1.428 -6.347 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.429 0.259 -4.550 1.00 0.00 H ATOM 104 N LEU A 9 3.358 -0.218 -8.479 1.00 0.00 N ATOM 105 CA LEU A 9 3.128 -0.946 -7.242 1.00 0.00 C ATOM 106 C LEU A 9 1.890 -1.826 -7.421 1.00 0.00 C ATOM 107 O LEU A 9 1.962 -3.038 -7.232 1.00 0.00 O ATOM 108 CB LEU A 9 2.969 0.066 -6.088 1.00 0.00 C ATOM 109 CG LEU A 9 3.515 -0.414 -4.735 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.485 0.745 -3.732 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.680 -1.559 -4.163 1.00 0.00 C ATOM 112 H LEU A 9 3.259 0.786 -8.443 1.00 0.00 H ATOM 113 HA LEU A 9 4.001 -1.572 -7.049 1.00 0.00 H ATOM 114 1HB LEU A 9 3.521 0.970 -6.344 1.00 0.00 H ATOM 115 2HB LEU A 9 1.921 0.336 -5.963 1.00 0.00 H ATOM 116 HG LEU A 9 4.548 -0.742 -4.856 1.00 0.00 H ATOM 117 1HD1 LEU A 9 4.072 1.585 -4.102 1.00 0.00 H ATOM 118 2HD1 LEU A 9 2.457 1.072 -3.574 1.00 0.00 H ATOM 119 3HD1 LEU A 9 3.904 0.415 -2.781 1.00 0.00 H ATOM 120 1HD2 LEU A 9 2.691 -2.400 -4.847 1.00 0.00 H ATOM 121 2HD2 LEU A 9 3.099 -1.877 -3.209 1.00 0.00 H ATOM 122 3HD2 LEU A 9 1.651 -1.230 -4.017 1.00 0.00 H ATOM 123 N ALA A 10 0.771 -1.208 -7.824 1.00 0.00 N ATOM 124 CA ALA A 10 -0.505 -1.871 -8.044 1.00 0.00 C ATOM 125 C ALA A 10 -0.352 -3.109 -8.928 1.00 0.00 C ATOM 126 O ALA A 10 -0.783 -4.193 -8.541 1.00 0.00 O ATOM 127 CB ALA A 10 -1.513 -0.882 -8.640 1.00 0.00 C ATOM 128 H ALA A 10 0.808 -0.209 -7.978 1.00 0.00 H ATOM 129 HA ALA A 10 -0.880 -2.179 -7.071 1.00 0.00 H ATOM 130 1HB ALA A 10 -1.624 -0.024 -7.977 1.00 0.00 H ATOM 131 2HB ALA A 10 -1.179 -0.535 -9.617 1.00 0.00 H ATOM 132 3HB ALA A 10 -2.483 -1.369 -8.750 1.00 0.00 H ATOM 133 N GLU A 11 0.279 -2.946 -10.097 1.00 0.00 N ATOM 134 CA GLU A 11 0.509 -4.014 -11.059 1.00 0.00 C ATOM 135 C GLU A 11 1.360 -5.135 -10.465 1.00 0.00 C ATOM 136 O GLU A 11 0.917 -6.280 -10.394 1.00 0.00 O ATOM 137 CB GLU A 11 1.184 -3.442 -12.310 1.00 0.00 C ATOM 138 CG GLU A 11 0.211 -2.590 -13.129 1.00 0.00 C ATOM 139 CD GLU A 11 0.928 -1.941 -14.308 1.00 0.00 C ATOM 140 OE1 GLU A 11 1.823 -1.109 -14.041 1.00 0.00 O ATOM 141 OE2 GLU A 11 0.575 -2.287 -15.455 1.00 0.00 O ATOM 142 H GLU A 11 0.612 -2.021 -10.339 1.00 0.00 H ATOM 143 HA GLU A 11 -0.448 -4.435 -11.360 1.00 0.00 H ATOM 144 1HB GLU A 11 2.046 -2.840 -12.014 1.00 0.00 H ATOM 145 2HB GLU A 11 1.529 -4.263 -12.940 1.00 0.00 H ATOM 146 1HG GLU A 11 -0.600 -3.222 -13.494 1.00 0.00 H ATOM 147 2HG GLU A 11 -0.218 -1.808 -12.505 1.00 0.00 H ATOM 148 N LYS A 12 2.596 -4.809 -10.074 1.00 0.00 N ATOM 149 CA LYS A 12 3.598 -5.793 -9.688 1.00 0.00 C ATOM 150 C LYS A 12 3.159 -6.604 -8.466 1.00 0.00 C ATOM 151 O LYS A 12 3.387 -7.811 -8.422 1.00 0.00 O ATOM 152 CB LYS A 12 4.940 -5.093 -9.441 1.00 0.00 C ATOM 153 CG LYS A 12 5.558 -4.575 -10.747 1.00 0.00 C ATOM 154 CD LYS A 12 6.683 -3.564 -10.488 1.00 0.00 C ATOM 155 CE LYS A 12 7.809 -4.130 -9.615 1.00 0.00 C ATOM 156 NZ LYS A 12 8.892 -3.147 -9.441 1.00 0.00 N ATOM 157 H LYS A 12 2.885 -3.840 -10.123 1.00 0.00 H ATOM 158 HA LYS A 12 3.733 -6.491 -10.515 1.00 0.00 H ATOM 159 1HB LYS A 12 4.792 -4.259 -8.755 1.00 0.00 H ATOM 160 2HB LYS A 12 5.628 -5.809 -8.990 1.00 0.00 H ATOM 161 1HG LYS A 12 5.944 -5.417 -11.325 1.00 0.00 H ATOM 162 2HG LYS A 12 4.795 -4.072 -11.342 1.00 0.00 H ATOM 163 1HD LYS A 12 7.097 -3.256 -11.449 1.00 0.00 H ATOM 164 2HD LYS A 12 6.256 -2.689 -9.999 1.00 0.00 H ATOM 165 1HE LYS A 12 7.426 -4.385 -8.627 1.00 0.00 H ATOM 166 2HE LYS A 12 8.217 -5.025 -10.084 1.00 0.00 H ATOM 167 1HZ LYS A 12 9.270 -2.902 -10.345 1.00 0.00 H ATOM 168 2HZ LYS A 12 8.530 -2.318 -8.991 1.00 0.00 H ATOM 169 3HZ LYS A 12 9.622 -3.546 -8.867 1.00 0.00 H ATOM 170 N TYR A 13 2.541 -5.950 -7.475 1.00 0.00 N ATOM 171 CA TYR A 13 2.190 -6.581 -6.213 1.00 0.00 C ATOM 172 C TYR A 13 0.849 -7.310 -6.316 1.00 0.00 C ATOM 173 O TYR A 13 0.760 -8.463 -5.898 1.00 0.00 O ATOM 174 CB TYR A 13 2.174 -5.551 -5.074 1.00 0.00 C ATOM 175 CG TYR A 13 3.534 -5.037 -4.618 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.408 -4.389 -5.514 1.00 0.00 C ATOM 177 CD2 TYR A 13 3.889 -5.129 -3.258 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.624 -3.852 -5.061 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.101 -4.584 -2.802 1.00 0.00 C ATOM 180 CZ TYR A 13 5.972 -3.949 -3.704 1.00 0.00 C ATOM 181 OH TYR A 13 7.152 -3.430 -3.258 1.00 0.00 O ATOM 182 H TYR A 13 2.366 -4.957 -7.567 1.00 0.00 H ATOM 183 HA TYR A 13 2.949 -7.321 -5.953 1.00 0.00 H ATOM 184 1HB TYR A 13 1.541 -4.707 -5.346 1.00 0.00 H ATOM 185 2HB TYR A 13 1.708 -6.042 -4.220 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.150 -4.270 -6.551 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.229 -5.613 -2.552 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.285 -3.360 -5.759 1.00 0.00 H ATOM 189 HE2 TYR A 13 5.360 -4.651 -1.755 1.00 0.00 H ATOM 190 HH TYR A 13 7.676 -3.024 -3.952 1.00 0.00 H ATOM 191 N PHE A 14 -0.192 -6.643 -6.838 1.00 0.00 N ATOM 192 CA PHE A 14 -1.566 -7.138 -6.783 1.00 0.00 C ATOM 193 C PHE A 14 -2.071 -7.577 -8.160 1.00 0.00 C ATOM 194 O PHE A 14 -2.369 -8.754 -8.360 1.00 0.00 O ATOM 195 CB PHE A 14 -2.480 -6.073 -6.151 1.00 0.00 C ATOM 196 CG PHE A 14 -1.884 -5.326 -4.967 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.325 -6.030 -3.883 1.00 0.00 C ATOM 198 CD2 PHE A 14 -1.811 -3.921 -4.993 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.655 -5.334 -2.861 1.00 0.00 C ATOM 200 CE2 PHE A 14 -1.104 -3.229 -3.995 1.00 0.00 C ATOM 201 CZ PHE A 14 -0.522 -3.937 -2.930 1.00 0.00 C ATOM 202 H PHE A 14 -0.050 -5.711 -7.203 1.00 0.00 H ATOM 203 HA PHE A 14 -1.618 -8.008 -6.127 1.00 0.00 H ATOM 204 1HB PHE A 14 -2.748 -5.338 -6.910 1.00 0.00 H ATOM 205 2HB PHE A 14 -3.403 -6.555 -5.828 1.00 0.00 H ATOM 206 HD1 PHE A 14 -1.390 -7.107 -3.838 1.00 0.00 H ATOM 207 HD2 PHE A 14 -2.294 -3.368 -5.784 1.00 0.00 H ATOM 208 HE1 PHE A 14 -0.227 -5.877 -2.031 1.00 0.00 H ATOM 209 HE2 PHE A 14 -1.011 -2.153 -4.044 1.00 0.00 H ATOM 210 HZ PHE A 14 0.021 -3.407 -2.160 1.00 0.00 H ATOM 211 N GLN A 15 -2.197 -6.629 -9.098 1.00 0.00 N ATOM 212 CA GLN A 15 -2.803 -6.837 -10.406 1.00 0.00 C ATOM 213 C GLN A 15 -1.755 -7.408 -11.366 1.00 0.00 C ATOM 214 O GLN A 15 -1.339 -6.757 -12.323 1.00 0.00 O ATOM 215 CB GLN A 15 -3.418 -5.511 -10.886 1.00 0.00 C ATOM 216 CG GLN A 15 -4.288 -5.679 -12.141 1.00 0.00 C ATOM 217 CD GLN A 15 -4.819 -4.335 -12.635 1.00 0.00 C ATOM 218 OE1 GLN A 15 -6.028 -4.113 -12.662 1.00 0.00 O ATOM 219 NE2 GLN A 15 -3.897 -3.446 -13.023 1.00 0.00 N ATOM 220 H GLN A 15 -1.878 -5.695 -8.880 1.00 0.00 H ATOM 221 HA GLN A 15 -3.618 -7.557 -10.311 1.00 0.00 H ATOM 222 1HB GLN A 15 -4.050 -5.111 -10.092 1.00 0.00 H ATOM 223 2HB GLN A 15 -2.625 -4.790 -11.075 1.00 0.00 H ATOM 224 1HG GLN A 15 -3.714 -6.132 -12.949 1.00 0.00 H ATOM 225 2HG GLN A 15 -5.129 -6.334 -11.908 1.00 0.00 H ATOM 226 1HE2 GLN A 15 -2.926 -3.724 -12.990 1.00 0.00 H HETATM 227 N NH2 A 16 -1.321 -8.642 -11.102 1.00 0.00 N HETATM 228 1HN NH2 A 16 -0.622 -9.071 -11.691 1.00 0.00 H HETATM 229 2HN NH2 A 16 -1.675 -9.125 -10.287 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -4.183 -2.094 -13.472 1.00 0.00 C HETATM 232 C2 LNK A 17 -4.246 -2.062 -15.003 1.00 0.00 C HETATM 233 C3 LNK A 17 -4.450 -0.646 -15.564 1.00 0.00 C HETATM 234 C4 LNK A 17 -3.387 0.376 -15.129 1.00 0.00 C HETATM 235 C5 LNK A 17 -1.961 -0.116 -15.406 1.00 0.00 C HETATM 236 H11 LNK A 17 -3.372 -1.460 -13.113 1.00 0.00 H HETATM 237 H12 LNK A 17 -5.121 -1.729 -13.051 1.00 0.00 H HETATM 238 H21 LNK A 17 -3.334 -2.493 -15.416 1.00 0.00 H HETATM 239 H22 LNK A 17 -5.082 -2.684 -15.328 1.00 0.00 H HETATM 240 H31 LNK A 17 -4.444 -0.711 -16.653 1.00 0.00 H HETATM 241 H32 LNK A 17 -5.428 -0.280 -15.250 1.00 0.00 H HETATM 242 H41 LNK A 17 -3.510 0.594 -14.069 1.00 0.00 H HETATM 243 H42 LNK A 17 -3.555 1.300 -15.685 1.00 0.00 H HETATM 244 H51 LNK A 17 -1.760 -1.028 -14.848 1.00 0.00 H HETATM 245 H52 LNK A 17 -1.851 -0.325 -16.471 1.00 0.00 H ENDMDL MODEL 12 HETATM 1 C ACE A 3 0.995 10.938 -9.106 1.00 0.00 C HETATM 2 O ACE A 3 0.662 10.331 -10.122 1.00 0.00 O HETATM 3 CH3 ACE A 3 1.682 12.293 -9.214 1.00 0.00 C HETATM 4 1H ACE A 3 1.877 12.528 -10.260 1.00 0.00 H HETATM 5 2H ACE A 3 1.038 13.063 -8.788 1.00 0.00 H HETATM 6 3H ACE A 3 2.627 12.270 -8.670 1.00 0.00 H ATOM 7 N ARG A 4 0.791 10.477 -7.865 1.00 0.00 N ATOM 8 CA ARG A 4 0.142 9.215 -7.525 1.00 0.00 C ATOM 9 C ARG A 4 0.823 8.040 -8.245 1.00 0.00 C ATOM 10 O ARG A 4 0.207 7.406 -9.101 1.00 0.00 O ATOM 11 CB ARG A 4 -1.372 9.292 -7.809 1.00 0.00 C ATOM 12 CG ARG A 4 -2.196 10.029 -6.739 1.00 0.00 C ATOM 13 CD ARG A 4 -1.813 11.498 -6.522 1.00 0.00 C ATOM 14 NE ARG A 4 -0.673 11.632 -5.604 1.00 0.00 N ATOM 15 CZ ARG A 4 0.072 12.738 -5.450 1.00 0.00 C ATOM 16 NH1 ARG A 4 -0.216 13.864 -6.119 1.00 0.00 N ATOM 17 NH2 ARG A 4 1.122 12.712 -4.618 1.00 0.00 N ATOM 18 H ARG A 4 1.105 11.049 -7.095 1.00 0.00 H ATOM 19 HA ARG A 4 0.254 9.046 -6.454 1.00 0.00 H ATOM 20 1HB ARG A 4 -1.551 9.749 -8.783 1.00 0.00 H ATOM 21 2HB ARG A 4 -1.777 8.280 -7.842 1.00 0.00 H ATOM 22 1HG ARG A 4 -3.235 10.004 -7.070 1.00 0.00 H ATOM 23 2HG ARG A 4 -2.135 9.490 -5.793 1.00 0.00 H ATOM 24 1HD ARG A 4 -1.601 11.959 -7.488 1.00 0.00 H ATOM 25 2HD ARG A 4 -2.663 12.011 -6.070 1.00 0.00 H ATOM 26 HE ARG A 4 -0.431 10.813 -5.065 1.00 0.00 H ATOM 27 1HH1 ARG A 4 -1.009 13.893 -6.742 1.00 0.00 H ATOM 28 2HH1 ARG A 4 0.352 14.689 -5.993 1.00 0.00 H ATOM 29 1HH2 ARG A 4 1.345 11.868 -4.110 1.00 0.00 H ATOM 30 2HH2 ARG A 4 1.690 13.537 -4.493 1.00 0.00 H ATOM 31 N PRO A 5 2.085 7.722 -7.901 1.00 0.00 N ATOM 32 CA PRO A 5 2.833 6.626 -8.499 1.00 0.00 C ATOM 33 C PRO A 5 2.425 5.294 -7.854 1.00 0.00 C ATOM 34 O PRO A 5 3.241 4.622 -7.228 1.00 0.00 O ATOM 35 CB PRO A 5 4.301 6.988 -8.243 1.00 0.00 C ATOM 36 CG PRO A 5 4.236 7.666 -6.875 1.00 0.00 C ATOM 37 CD PRO A 5 2.923 8.445 -6.954 1.00 0.00 C ATOM 38 HA PRO A 5 2.662 6.570 -9.576 1.00 0.00 H ATOM 39 1HB PRO A 5 4.980 6.136 -8.263 1.00 0.00 H ATOM 40 2HB PRO A 5 4.619 7.723 -8.984 1.00 0.00 H ATOM 41 1HG PRO A 5 4.169 6.910 -6.092 1.00 0.00 H ATOM 42 2HG PRO A 5 5.092 8.317 -6.695 1.00 0.00 H ATOM 43 1HD PRO A 5 2.465 8.510 -5.967 1.00 0.00 H ATOM 44 2HD PRO A 5 3.135 9.443 -7.338 1.00 0.00 H ATOM 45 N LEU A 6 1.147 4.925 -7.996 1.00 0.00 N ATOM 46 CA LEU A 6 0.591 3.665 -7.517 1.00 0.00 C ATOM 47 C LEU A 6 0.684 2.584 -8.595 1.00 0.00 C ATOM 48 O LEU A 6 0.849 1.414 -8.261 1.00 0.00 O ATOM 49 CB LEU A 6 -0.873 3.855 -7.084 1.00 0.00 C ATOM 50 CG LEU A 6 -1.087 4.508 -5.705 1.00 0.00 C ATOM 51 CD1 LEU A 6 -0.562 3.635 -4.558 1.00 0.00 C ATOM 52 CD2 LEU A 6 -0.500 5.920 -5.603 1.00 0.00 C ATOM 53 H LEU A 6 0.526 5.545 -8.501 1.00 0.00 H ATOM 54 HA LEU A 6 1.164 3.307 -6.662 1.00 0.00 H ATOM 55 1HB LEU A 6 -1.395 4.441 -7.843 1.00 0.00 H ATOM 56 2HB LEU A 6 -1.347 2.873 -7.045 1.00 0.00 H ATOM 57 HG LEU A 6 -2.167 4.597 -5.572 1.00 0.00 H ATOM 58 1HD1 LEU A 6 -0.943 2.619 -4.659 1.00 0.00 H ATOM 59 2HD1 LEU A 6 0.527 3.613 -4.550 1.00 0.00 H ATOM 60 3HD1 LEU A 6 -0.905 4.045 -3.607 1.00 0.00 H ATOM 61 1HD2 LEU A 6 -0.853 6.521 -6.439 1.00 0.00 H ATOM 62 2HD2 LEU A 6 -0.829 6.383 -4.672 1.00 0.00 H ATOM 63 3HD2 LEU A 6 0.589 5.887 -5.607 1.00 0.00 H ATOM 64 N GLN A 7 0.536 2.964 -9.872 1.00 0.00 N ATOM 65 CA GLN A 7 0.383 2.052 -11.001 1.00 0.00 C ATOM 66 C GLN A 7 1.456 0.963 -11.044 1.00 0.00 C ATOM 67 O GLN A 7 1.114 -0.217 -11.032 1.00 0.00 O ATOM 68 CB GLN A 7 0.348 2.851 -12.312 1.00 0.00 C ATOM 69 CG GLN A 7 -0.925 3.699 -12.466 1.00 0.00 C ATOM 70 CD GLN A 7 -2.073 2.923 -13.115 1.00 0.00 C ATOM 71 OE1 GLN A 7 -2.393 3.165 -14.277 1.00 0.00 O ATOM 72 NE2 GLN A 7 -2.688 1.997 -12.370 1.00 0.00 N ATOM 73 H GLN A 7 0.423 3.949 -10.064 1.00 0.00 H ATOM 74 HA GLN A 7 -0.566 1.537 -10.873 1.00 0.00 H ATOM 75 1HB GLN A 7 1.216 3.512 -12.334 1.00 0.00 H ATOM 76 2HB GLN A 7 0.423 2.170 -13.162 1.00 0.00 H ATOM 77 1HG GLN A 7 -1.247 4.103 -11.506 1.00 0.00 H ATOM 78 2HG GLN A 7 -0.687 4.541 -13.119 1.00 0.00 H ATOM 79 1HE2 GLN A 7 -2.378 1.847 -11.422 1.00 0.00 H ATOM 80 N TRP A 8 2.737 1.348 -11.089 1.00 0.00 N ATOM 81 CA TRP A 8 3.858 0.412 -11.136 1.00 0.00 C ATOM 82 C TRP A 8 3.821 -0.577 -9.964 1.00 0.00 C ATOM 83 O TRP A 8 4.149 -1.751 -10.127 1.00 0.00 O ATOM 84 CB TRP A 8 5.181 1.193 -11.139 1.00 0.00 C ATOM 85 CG TRP A 8 5.537 1.841 -9.834 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.111 3.052 -9.415 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.273 1.269 -8.709 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.518 3.267 -8.115 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.228 2.191 -7.624 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.928 0.041 -8.477 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.804 1.912 -6.376 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.510 -0.251 -7.229 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.457 0.685 -6.182 1.00 0.00 C ATOM 94 H TRP A 8 2.946 2.335 -11.096 1.00 0.00 H ATOM 95 HA TRP A 8 3.793 -0.147 -12.071 1.00 0.00 H ATOM 96 1HB TRP A 8 5.982 0.497 -11.391 1.00 0.00 H ATOM 97 2HB TRP A 8 5.147 1.956 -11.918 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.494 3.727 -9.989 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.274 4.073 -7.556 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.968 -0.690 -9.269 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.733 2.624 -5.568 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.994 -1.203 -7.070 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.908 0.456 -5.228 1.00 0.00 H ATOM 104 N LEU A 9 3.436 -0.083 -8.781 1.00 0.00 N ATOM 105 CA LEU A 9 3.424 -0.831 -7.537 1.00 0.00 C ATOM 106 C LEU A 9 2.318 -1.885 -7.615 1.00 0.00 C ATOM 107 O LEU A 9 2.580 -3.075 -7.457 1.00 0.00 O ATOM 108 CB LEU A 9 3.244 0.163 -6.373 1.00 0.00 C ATOM 109 CG LEU A 9 3.957 -0.257 -5.079 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.919 0.905 -4.079 1.00 0.00 C ATOM 111 CD2 LEU A 9 3.312 -1.486 -4.440 1.00 0.00 C ATOM 112 H LEU A 9 3.149 0.884 -8.738 1.00 0.00 H ATOM 113 HA LEU A 9 4.390 -1.326 -7.431 1.00 0.00 H ATOM 114 1HB LEU A 9 3.681 1.117 -6.670 1.00 0.00 H ATOM 115 2HB LEU A 9 2.186 0.332 -6.172 1.00 0.00 H ATOM 116 HG LEU A 9 5.001 -0.483 -5.299 1.00 0.00 H ATOM 117 1HD1 LEU A 9 4.405 1.782 -4.507 1.00 0.00 H ATOM 118 2HD1 LEU A 9 2.886 1.155 -3.835 1.00 0.00 H ATOM 119 3HD1 LEU A 9 4.445 0.625 -3.166 1.00 0.00 H ATOM 120 1HD2 LEU A 9 2.256 -1.294 -4.255 1.00 0.00 H ATOM 121 2HD2 LEU A 9 3.418 -2.342 -5.100 1.00 0.00 H ATOM 122 3HD2 LEU A 9 3.810 -1.712 -3.496 1.00 0.00 H ATOM 123 N ALA A 10 1.091 -1.444 -7.915 1.00 0.00 N ATOM 124 CA ALA A 10 -0.077 -2.295 -8.078 1.00 0.00 C ATOM 125 C ALA A 10 0.159 -3.378 -9.129 1.00 0.00 C ATOM 126 O ALA A 10 -0.161 -4.536 -8.885 1.00 0.00 O ATOM 127 CB ALA A 10 -1.288 -1.435 -8.449 1.00 0.00 C ATOM 128 H ALA A 10 0.964 -0.452 -8.060 1.00 0.00 H ATOM 129 HA ALA A 10 -0.276 -2.781 -7.123 1.00 0.00 H ATOM 130 1HB ALA A 10 -1.446 -0.669 -7.689 1.00 0.00 H ATOM 131 2HB ALA A 10 -1.124 -0.949 -9.412 1.00 0.00 H ATOM 132 3HB ALA A 10 -2.176 -2.064 -8.512 1.00 0.00 H ATOM 133 N GLU A 11 0.728 -3.001 -10.282 1.00 0.00 N ATOM 134 CA GLU A 11 1.009 -3.890 -11.404 1.00 0.00 C ATOM 135 C GLU A 11 1.673 -5.188 -10.934 1.00 0.00 C ATOM 136 O GLU A 11 1.245 -6.276 -11.313 1.00 0.00 O ATOM 137 CB GLU A 11 1.875 -3.138 -12.430 1.00 0.00 C ATOM 138 CG GLU A 11 1.912 -3.792 -13.817 1.00 0.00 C ATOM 139 CD GLU A 11 2.696 -5.103 -13.848 1.00 0.00 C ATOM 140 OE1 GLU A 11 2.105 -6.110 -14.295 1.00 0.00 O ATOM 141 OE2 GLU A 11 3.873 -5.074 -13.430 1.00 0.00 O ATOM 142 H GLU A 11 0.969 -2.026 -10.398 1.00 0.00 H ATOM 143 HA GLU A 11 0.056 -4.134 -11.871 1.00 0.00 H ATOM 144 1HB GLU A 11 1.452 -2.144 -12.573 1.00 0.00 H ATOM 145 2HB GLU A 11 2.890 -3.018 -12.051 1.00 0.00 H ATOM 146 1HG GLU A 11 0.893 -3.962 -14.163 1.00 0.00 H ATOM 147 2HG GLU A 11 2.390 -3.096 -14.507 1.00 0.00 H ATOM 148 N LYS A 12 2.708 -5.066 -10.096 1.00 0.00 N ATOM 149 CA LYS A 12 3.473 -6.194 -9.592 1.00 0.00 C ATOM 150 C LYS A 12 2.818 -6.827 -8.360 1.00 0.00 C ATOM 151 O LYS A 12 2.639 -8.042 -8.317 1.00 0.00 O ATOM 152 CB LYS A 12 4.892 -5.727 -9.253 1.00 0.00 C ATOM 153 CG LYS A 12 5.708 -5.403 -10.509 1.00 0.00 C ATOM 154 CD LYS A 12 7.136 -4.983 -10.139 1.00 0.00 C ATOM 155 CE LYS A 12 7.198 -3.549 -9.603 1.00 0.00 C ATOM 156 NZ LYS A 12 8.585 -3.155 -9.304 1.00 0.00 N ATOM 157 H LYS A 12 2.986 -4.140 -9.801 1.00 0.00 H ATOM 158 HA LYS A 12 3.548 -6.961 -10.365 1.00 0.00 H ATOM 159 1HB LYS A 12 4.831 -4.840 -8.626 1.00 0.00 H ATOM 160 2HB LYS A 12 5.401 -6.519 -8.701 1.00 0.00 H ATOM 161 1HG LYS A 12 5.761 -6.300 -11.127 1.00 0.00 H ATOM 162 2HG LYS A 12 5.229 -4.610 -11.084 1.00 0.00 H ATOM 163 1HD LYS A 12 7.533 -5.669 -9.389 1.00 0.00 H ATOM 164 2HD LYS A 12 7.756 -5.044 -11.034 1.00 0.00 H ATOM 165 1HE LYS A 12 6.796 -2.868 -10.354 1.00 0.00 H ATOM 166 2HE LYS A 12 6.612 -3.457 -8.689 1.00 0.00 H ATOM 167 1HZ LYS A 12 9.140 -3.208 -10.146 1.00 0.00 H ATOM 168 2HZ LYS A 12 8.600 -2.208 -8.953 1.00 0.00 H ATOM 169 3HZ LYS A 12 8.970 -3.776 -8.607 1.00 0.00 H ATOM 170 N TYR A 13 2.499 -6.015 -7.345 1.00 0.00 N ATOM 171 CA TYR A 13 2.092 -6.497 -6.030 1.00 0.00 C ATOM 172 C TYR A 13 0.624 -6.940 -5.971 1.00 0.00 C ATOM 173 O TYR A 13 0.331 -7.950 -5.334 1.00 0.00 O ATOM 174 CB TYR A 13 2.399 -5.434 -4.965 1.00 0.00 C ATOM 175 CG TYR A 13 3.869 -5.284 -4.597 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.793 -4.737 -5.509 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.308 -5.659 -3.313 1.00 0.00 C ATOM 178 CE1 TYR A 13 6.141 -4.580 -5.148 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.658 -5.504 -2.952 1.00 0.00 C ATOM 180 CZ TYR A 13 6.575 -4.963 -3.868 1.00 0.00 C ATOM 181 OH TYR A 13 7.883 -4.810 -3.512 1.00 0.00 O ATOM 182 H TYR A 13 2.632 -5.019 -7.458 1.00 0.00 H ATOM 183 HA TYR A 13 2.697 -7.370 -5.781 1.00 0.00 H ATOM 184 1HB TYR A 13 2.004 -4.470 -5.286 1.00 0.00 H ATOM 185 2HB TYR A 13 1.868 -5.722 -4.058 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.480 -4.419 -6.487 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.610 -6.061 -2.592 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.839 -4.158 -5.857 1.00 0.00 H ATOM 189 HE2 TYR A 13 5.989 -5.797 -1.965 1.00 0.00 H ATOM 190 HH TYR A 13 8.425 -4.433 -4.210 1.00 0.00 H ATOM 191 N PHE A 14 -0.299 -6.192 -6.590 1.00 0.00 N ATOM 192 CA PHE A 14 -1.734 -6.457 -6.510 1.00 0.00 C ATOM 193 C PHE A 14 -2.438 -6.076 -7.815 1.00 0.00 C ATOM 194 O PHE A 14 -3.108 -5.048 -7.898 1.00 0.00 O ATOM 195 CB PHE A 14 -2.347 -5.786 -5.265 1.00 0.00 C ATOM 196 CG PHE A 14 -1.859 -4.382 -4.944 1.00 0.00 C ATOM 197 CD1 PHE A 14 -0.743 -4.214 -4.104 1.00 0.00 C ATOM 198 CD2 PHE A 14 -2.557 -3.248 -5.402 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.261 -2.927 -3.811 1.00 0.00 C ATOM 200 CE2 PHE A 14 -2.094 -1.959 -5.083 1.00 0.00 C ATOM 201 CZ PHE A 14 -0.930 -1.798 -4.312 1.00 0.00 C ATOM 202 H PHE A 14 -0.005 -5.385 -7.124 1.00 0.00 H ATOM 203 HA PHE A 14 -1.898 -7.530 -6.392 1.00 0.00 H ATOM 204 1HB PHE A 14 -3.434 -5.781 -5.360 1.00 0.00 H ATOM 205 2HB PHE A 14 -2.110 -6.418 -4.409 1.00 0.00 H ATOM 206 HD1 PHE A 14 -0.260 -5.076 -3.672 1.00 0.00 H ATOM 207 HD2 PHE A 14 -3.454 -3.358 -5.994 1.00 0.00 H ATOM 208 HE1 PHE A 14 0.616 -2.813 -3.190 1.00 0.00 H ATOM 209 HE2 PHE A 14 -2.632 -1.091 -5.436 1.00 0.00 H ATOM 210 HZ PHE A 14 -0.558 -0.807 -4.092 1.00 0.00 H ATOM 211 N GLN A 15 -2.313 -6.944 -8.826 1.00 0.00 N ATOM 212 CA GLN A 15 -3.065 -6.864 -10.070 1.00 0.00 C ATOM 213 C GLN A 15 -3.255 -8.287 -10.599 1.00 0.00 C ATOM 214 O GLN A 15 -2.428 -8.796 -11.352 1.00 0.00 O ATOM 215 CB GLN A 15 -2.342 -5.953 -11.073 1.00 0.00 C ATOM 216 CG GLN A 15 -3.179 -5.744 -12.342 1.00 0.00 C ATOM 217 CD GLN A 15 -2.437 -4.897 -13.373 1.00 0.00 C ATOM 218 OE1 GLN A 15 -1.384 -5.308 -13.857 1.00 0.00 O ATOM 219 NE2 GLN A 15 -2.995 -3.729 -13.717 1.00 0.00 N ATOM 220 H GLN A 15 -1.723 -7.752 -8.695 1.00 0.00 H ATOM 221 HA GLN A 15 -4.049 -6.435 -9.870 1.00 0.00 H ATOM 222 1HB GLN A 15 -2.169 -4.978 -10.616 1.00 0.00 H ATOM 223 2HB GLN A 15 -1.379 -6.393 -11.335 1.00 0.00 H ATOM 224 1HG GLN A 15 -3.398 -6.706 -12.806 1.00 0.00 H ATOM 225 2HG GLN A 15 -4.122 -5.267 -12.073 1.00 0.00 H ATOM 226 1HE2 GLN A 15 -3.860 -3.455 -13.276 1.00 0.00 H HETATM 227 N NH2 A 16 -4.344 -8.943 -10.193 1.00 0.00 N HETATM 228 1HN NH2 A 16 -4.999 -8.499 -9.566 1.00 0.00 H HETATM 229 2HN NH2 A 16 -4.507 -9.885 -10.518 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -2.443 -2.834 -14.723 1.00 0.00 C HETATM 232 C2 LNK A 17 -1.511 -1.803 -14.075 1.00 0.00 C HETATM 233 C3 LNK A 17 -2.209 -0.858 -13.089 1.00 0.00 C HETATM 234 C4 LNK A 17 -3.222 0.059 -13.791 1.00 0.00 C HETATM 235 C5 LNK A 17 -3.764 1.145 -12.853 1.00 0.00 C HETATM 236 H11 LNK A 17 -3.257 -2.333 -15.245 1.00 0.00 H HETATM 237 H12 LNK A 17 -1.876 -3.402 -15.462 1.00 0.00 H HETATM 238 H21 LNK A 17 -0.729 -2.336 -13.536 1.00 0.00 H HETATM 239 H22 LNK A 17 -1.040 -1.211 -14.860 1.00 0.00 H HETATM 240 H31 LNK A 17 -2.707 -1.430 -12.306 1.00 0.00 H HETATM 241 H32 LNK A 17 -1.430 -0.251 -12.628 1.00 0.00 H HETATM 242 H41 LNK A 17 -4.069 -0.533 -14.137 1.00 0.00 H HETATM 243 H42 LNK A 17 -2.751 0.530 -14.654 1.00 0.00 H HETATM 244 H51 LNK A 17 -4.502 1.748 -13.384 1.00 0.00 H HETATM 245 H52 LNK A 17 -4.251 0.673 -11.999 1.00 0.00 H ENDMDL MODEL 13 HETATM 1 C ACE A 3 0.773 11.698 -7.608 1.00 0.00 C HETATM 2 O ACE A 3 1.004 11.786 -6.403 1.00 0.00 O HETATM 3 CH3 ACE A 3 1.046 12.880 -8.529 1.00 0.00 C HETATM 4 1H ACE A 3 1.462 13.709 -7.955 1.00 0.00 H HETATM 5 2H ACE A 3 1.759 12.585 -9.299 1.00 0.00 H HETATM 6 3H ACE A 3 0.117 13.202 -9.000 1.00 0.00 H ATOM 7 N ARG A 4 0.287 10.593 -8.186 1.00 0.00 N ATOM 8 CA ARG A 4 0.005 9.351 -7.479 1.00 0.00 C ATOM 9 C ARG A 4 0.626 8.183 -8.252 1.00 0.00 C ATOM 10 O ARG A 4 -0.095 7.463 -8.943 1.00 0.00 O ATOM 11 CB ARG A 4 -1.514 9.179 -7.319 1.00 0.00 C ATOM 12 CG ARG A 4 -2.108 10.253 -6.396 1.00 0.00 C ATOM 13 CD ARG A 4 -3.589 9.989 -6.111 1.00 0.00 C ATOM 14 NE ARG A 4 -4.401 10.072 -7.332 1.00 0.00 N ATOM 15 CZ ARG A 4 -5.725 9.857 -7.386 1.00 0.00 C ATOM 16 NH1 ARG A 4 -6.416 9.534 -6.283 1.00 0.00 N ATOM 17 NH2 ARG A 4 -6.365 9.966 -8.558 1.00 0.00 N ATOM 18 H ARG A 4 0.119 10.604 -9.182 1.00 0.00 H ATOM 19 HA ARG A 4 0.431 9.363 -6.476 1.00 0.00 H ATOM 20 1HB ARG A 4 -1.994 9.227 -8.298 1.00 0.00 H ATOM 21 2HB ARG A 4 -1.710 8.200 -6.879 1.00 0.00 H ATOM 22 1HG ARG A 4 -1.569 10.246 -5.448 1.00 0.00 H ATOM 23 2HG ARG A 4 -2.002 11.238 -6.852 1.00 0.00 H ATOM 24 1HD ARG A 4 -3.697 9.001 -5.662 1.00 0.00 H ATOM 25 2HD ARG A 4 -3.942 10.740 -5.401 1.00 0.00 H ATOM 26 HE ARG A 4 -3.917 10.318 -8.184 1.00 0.00 H ATOM 27 1HH1 ARG A 4 -5.942 9.451 -5.395 1.00 0.00 H ATOM 28 2HH1 ARG A 4 -7.411 9.375 -6.336 1.00 0.00 H ATOM 29 1HH2 ARG A 4 -5.852 10.210 -9.393 1.00 0.00 H ATOM 30 2HH2 ARG A 4 -7.361 9.808 -8.610 1.00 0.00 H ATOM 31 N PRO A 5 1.952 7.975 -8.152 1.00 0.00 N ATOM 32 CA PRO A 5 2.651 6.899 -8.842 1.00 0.00 C ATOM 33 C PRO A 5 2.453 5.576 -8.093 1.00 0.00 C ATOM 34 O PRO A 5 3.393 5.025 -7.526 1.00 0.00 O ATOM 35 CB PRO A 5 4.114 7.353 -8.879 1.00 0.00 C ATOM 36 CG PRO A 5 4.257 8.126 -7.568 1.00 0.00 C ATOM 37 CD PRO A 5 2.899 8.817 -7.435 1.00 0.00 C ATOM 38 HA PRO A 5 2.290 6.789 -9.866 1.00 0.00 H ATOM 39 1HB PRO A 5 4.827 6.532 -8.967 1.00 0.00 H ATOM 40 2HB PRO A 5 4.249 8.046 -9.710 1.00 0.00 H ATOM 41 1HG PRO A 5 4.393 7.427 -6.741 1.00 0.00 H ATOM 42 2HG PRO A 5 5.084 8.837 -7.596 1.00 0.00 H ATOM 43 1HD PRO A 5 2.643 8.925 -6.381 1.00 0.00 H ATOM 44 2HD PRO A 5 2.950 9.796 -7.913 1.00 0.00 H ATOM 45 N LEU A 6 1.212 5.075 -8.088 1.00 0.00 N ATOM 46 CA LEU A 6 0.832 3.790 -7.515 1.00 0.00 C ATOM 47 C LEU A 6 0.919 2.667 -8.556 1.00 0.00 C ATOM 48 O LEU A 6 1.116 1.511 -8.192 1.00 0.00 O ATOM 49 CB LEU A 6 -0.587 3.916 -6.938 1.00 0.00 C ATOM 50 CG LEU A 6 -1.073 2.677 -6.166 1.00 0.00 C ATOM 51 CD1 LEU A 6 -0.200 2.380 -4.939 1.00 0.00 C ATOM 52 CD2 LEU A 6 -2.516 2.910 -5.710 1.00 0.00 C ATOM 53 H LEU A 6 0.484 5.612 -8.540 1.00 0.00 H ATOM 54 HA LEU A 6 1.518 3.561 -6.700 1.00 0.00 H ATOM 55 1HB LEU A 6 -0.613 4.774 -6.264 1.00 0.00 H ATOM 56 2HB LEU A 6 -1.277 4.109 -7.761 1.00 0.00 H ATOM 57 HG LEU A 6 -1.074 1.807 -6.822 1.00 0.00 H ATOM 58 1HD1 LEU A 6 -0.123 3.265 -4.307 1.00 0.00 H ATOM 59 2HD1 LEU A 6 -0.638 1.566 -4.361 1.00 0.00 H ATOM 60 3HD1 LEU A 6 0.799 2.075 -5.245 1.00 0.00 H ATOM 61 1HD2 LEU A 6 -3.145 3.112 -6.577 1.00 0.00 H ATOM 62 2HD2 LEU A 6 -2.890 2.020 -5.204 1.00 0.00 H ATOM 63 3HD2 LEU A 6 -2.560 3.758 -5.027 1.00 0.00 H ATOM 64 N GLN A 7 0.741 3.006 -9.841 1.00 0.00 N ATOM 65 CA GLN A 7 0.576 2.070 -10.948 1.00 0.00 C ATOM 66 C GLN A 7 1.611 0.943 -10.962 1.00 0.00 C ATOM 67 O GLN A 7 1.229 -0.223 -11.011 1.00 0.00 O ATOM 68 CB GLN A 7 0.584 2.828 -12.285 1.00 0.00 C ATOM 69 CG GLN A 7 -0.525 3.886 -12.395 1.00 0.00 C ATOM 70 CD GLN A 7 -1.901 3.310 -12.071 1.00 0.00 C ATOM 71 OE1 GLN A 7 -2.526 3.716 -11.093 1.00 0.00 O ATOM 72 NE2 GLN A 7 -2.347 2.338 -12.875 1.00 0.00 N ATOM 73 H GLN A 7 0.599 3.982 -10.052 1.00 0.00 H ATOM 74 HA GLN A 7 -0.395 1.590 -10.822 1.00 0.00 H ATOM 75 1HB GLN A 7 1.548 3.320 -12.419 1.00 0.00 H ATOM 76 2HB GLN A 7 0.456 2.104 -13.091 1.00 0.00 H ATOM 77 1HG GLN A 7 -0.314 4.714 -11.718 1.00 0.00 H ATOM 78 2HG GLN A 7 -0.536 4.280 -13.412 1.00 0.00 H ATOM 79 1HE2 GLN A 7 -1.775 2.047 -13.654 1.00 0.00 H ATOM 80 N TRP A 8 2.905 1.282 -10.921 1.00 0.00 N ATOM 81 CA TRP A 8 3.993 0.307 -10.914 1.00 0.00 C ATOM 82 C TRP A 8 3.837 -0.693 -9.759 1.00 0.00 C ATOM 83 O TRP A 8 4.057 -1.889 -9.934 1.00 0.00 O ATOM 84 CB TRP A 8 5.340 1.043 -10.829 1.00 0.00 C ATOM 85 CG TRP A 8 5.614 1.710 -9.515 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.176 2.934 -9.153 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.249 1.148 -8.327 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.470 3.163 -7.826 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.112 2.082 -7.260 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.877 -0.081 -8.027 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.556 1.805 -5.958 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.339 -0.364 -6.728 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.177 0.574 -5.694 1.00 0.00 C ATOM 94 H TRP A 8 3.149 2.260 -10.883 1.00 0.00 H ATOM 95 HA TRP A 8 3.966 -0.240 -11.858 1.00 0.00 H ATOM 96 1HB TRP A 8 6.137 0.322 -11.006 1.00 0.00 H ATOM 97 2HB TRP A 8 5.391 1.789 -11.624 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.616 3.608 -9.785 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.198 3.990 -7.310 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.996 -0.819 -8.805 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.392 2.517 -5.163 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.815 -1.312 -6.523 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.517 0.342 -4.695 1.00 0.00 H ATOM 104 N LEU A 9 3.456 -0.183 -8.582 1.00 0.00 N ATOM 105 CA LEU A 9 3.331 -0.928 -7.340 1.00 0.00 C ATOM 106 C LEU A 9 2.191 -1.937 -7.480 1.00 0.00 C ATOM 107 O LEU A 9 2.387 -3.134 -7.276 1.00 0.00 O ATOM 108 CB LEU A 9 3.099 0.081 -6.198 1.00 0.00 C ATOM 109 CG LEU A 9 3.633 -0.357 -4.827 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.597 0.833 -3.862 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.793 -1.487 -4.235 1.00 0.00 C ATOM 112 H LEU A 9 3.242 0.803 -8.541 1.00 0.00 H ATOM 113 HA LEU A 9 4.270 -1.456 -7.165 1.00 0.00 H ATOM 114 1HB LEU A 9 3.616 1.007 -6.452 1.00 0.00 H ATOM 115 2HB LEU A 9 2.037 0.308 -6.106 1.00 0.00 H ATOM 116 HG LEU A 9 4.666 -0.691 -4.927 1.00 0.00 H ATOM 117 1HD1 LEU A 9 4.186 1.659 -4.260 1.00 0.00 H ATOM 118 2HD1 LEU A 9 2.569 1.170 -3.718 1.00 0.00 H ATOM 119 3HD1 LEU A 9 4.013 0.540 -2.898 1.00 0.00 H ATOM 120 1HD2 LEU A 9 1.749 -1.182 -4.174 1.00 0.00 H ATOM 121 2HD2 LEU A 9 2.877 -2.370 -4.861 1.00 0.00 H ATOM 122 3HD2 LEU A 9 3.158 -1.721 -3.235 1.00 0.00 H ATOM 123 N ALA A 10 1.009 -1.440 -7.864 1.00 0.00 N ATOM 124 CA ALA A 10 -0.194 -2.235 -8.047 1.00 0.00 C ATOM 125 C ALA A 10 -0.005 -3.310 -9.113 1.00 0.00 C ATOM 126 O ALA A 10 -0.358 -4.465 -8.885 1.00 0.00 O ATOM 127 CB ALA A 10 -1.365 -1.317 -8.404 1.00 0.00 C ATOM 128 H ALA A 10 0.940 -0.444 -8.030 1.00 0.00 H ATOM 129 HA ALA A 10 -0.410 -2.730 -7.103 1.00 0.00 H ATOM 130 1HB ALA A 10 -1.152 -0.777 -9.327 1.00 0.00 H ATOM 131 2HB ALA A 10 -2.268 -1.913 -8.540 1.00 0.00 H ATOM 132 3HB ALA A 10 -1.529 -0.600 -7.600 1.00 0.00 H ATOM 133 N GLU A 11 0.551 -2.930 -10.269 1.00 0.00 N ATOM 134 CA GLU A 11 0.801 -3.824 -11.388 1.00 0.00 C ATOM 135 C GLU A 11 1.614 -5.043 -10.944 1.00 0.00 C ATOM 136 O GLU A 11 1.277 -6.170 -11.298 1.00 0.00 O ATOM 137 CB GLU A 11 1.498 -3.047 -12.512 1.00 0.00 C ATOM 138 CG GLU A 11 1.646 -3.889 -13.784 1.00 0.00 C ATOM 139 CD GLU A 11 2.263 -3.069 -14.913 1.00 0.00 C ATOM 140 OE1 GLU A 11 3.491 -2.844 -14.845 1.00 0.00 O ATOM 141 OE2 GLU A 11 1.497 -2.677 -15.820 1.00 0.00 O ATOM 142 H GLU A 11 0.818 -1.961 -10.380 1.00 0.00 H ATOM 143 HA GLU A 11 -0.163 -4.165 -11.763 1.00 0.00 H ATOM 144 1HB GLU A 11 0.895 -2.172 -12.760 1.00 0.00 H ATOM 145 2HB GLU A 11 2.481 -2.712 -12.178 1.00 0.00 H ATOM 146 1HG GLU A 11 2.286 -4.749 -13.589 1.00 0.00 H ATOM 147 2HG GLU A 11 0.662 -4.244 -14.094 1.00 0.00 H ATOM 148 N LYS A 12 2.671 -4.818 -10.157 1.00 0.00 N ATOM 149 CA LYS A 12 3.526 -5.886 -9.667 1.00 0.00 C ATOM 150 C LYS A 12 2.824 -6.715 -8.589 1.00 0.00 C ATOM 151 O LYS A 12 2.630 -7.916 -8.767 1.00 0.00 O ATOM 152 CB LYS A 12 4.834 -5.299 -9.123 1.00 0.00 C ATOM 153 CG LYS A 12 5.702 -4.725 -10.247 1.00 0.00 C ATOM 154 CD LYS A 12 6.904 -3.995 -9.638 1.00 0.00 C ATOM 155 CE LYS A 12 7.799 -3.375 -10.716 1.00 0.00 C ATOM 156 NZ LYS A 12 7.087 -2.347 -11.493 1.00 0.00 N ATOM 157 H LYS A 12 2.897 -3.868 -9.890 1.00 0.00 H ATOM 158 HA LYS A 12 3.777 -6.550 -10.497 1.00 0.00 H ATOM 159 1HB LYS A 12 4.607 -4.516 -8.399 1.00 0.00 H ATOM 160 2HB LYS A 12 5.400 -6.087 -8.623 1.00 0.00 H ATOM 161 1HG LYS A 12 6.050 -5.536 -10.888 1.00 0.00 H ATOM 162 2HG LYS A 12 5.113 -4.034 -10.846 1.00 0.00 H ATOM 163 1HD LYS A 12 6.548 -3.207 -8.972 1.00 0.00 H ATOM 164 2HD LYS A 12 7.494 -4.702 -9.054 1.00 0.00 H ATOM 165 1HE LYS A 12 8.658 -2.910 -10.231 1.00 0.00 H ATOM 166 2HE LYS A 12 8.157 -4.153 -11.391 1.00 0.00 H ATOM 167 1HZ LYS A 12 6.704 -1.658 -10.862 1.00 0.00 H ATOM 168 2HZ LYS A 12 7.728 -1.901 -12.133 1.00 0.00 H ATOM 169 3HZ LYS A 12 6.335 -2.773 -12.016 1.00 0.00 H ATOM 170 N TYR A 13 2.476 -6.083 -7.463 1.00 0.00 N ATOM 171 CA TYR A 13 2.025 -6.785 -6.268 1.00 0.00 C ATOM 172 C TYR A 13 0.551 -7.183 -6.342 1.00 0.00 C ATOM 173 O TYR A 13 0.231 -8.365 -6.228 1.00 0.00 O ATOM 174 CB TYR A 13 2.300 -5.933 -5.019 1.00 0.00 C ATOM 175 CG TYR A 13 3.740 -5.520 -4.747 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.829 -6.043 -5.477 1.00 0.00 C ATOM 177 CD2 TYR A 13 3.984 -4.581 -3.729 1.00 0.00 C ATOM 178 CE1 TYR A 13 6.126 -5.548 -5.261 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.280 -4.081 -3.517 1.00 0.00 C ATOM 180 CZ TYR A 13 6.350 -4.553 -4.295 1.00 0.00 C ATOM 181 OH TYR A 13 7.603 -4.048 -4.104 1.00 0.00 O ATOM 182 H TYR A 13 2.628 -5.085 -7.394 1.00 0.00 H ATOM 183 HA TYR A 13 2.596 -7.709 -6.163 1.00 0.00 H ATOM 184 1HB TYR A 13 1.707 -5.020 -5.092 1.00 0.00 H ATOM 185 2HB TYR A 13 1.949 -6.490 -4.149 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.697 -6.825 -6.208 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.167 -4.221 -3.121 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.951 -5.938 -5.840 1.00 0.00 H ATOM 189 HE2 TYR A 13 5.452 -3.329 -2.761 1.00 0.00 H ATOM 190 HH TYR A 13 8.259 -4.436 -4.688 1.00 0.00 H ATOM 191 N PHE A 14 -0.347 -6.202 -6.485 1.00 0.00 N ATOM 192 CA PHE A 14 -1.782 -6.423 -6.346 1.00 0.00 C ATOM 193 C PHE A 14 -2.319 -7.253 -7.514 1.00 0.00 C ATOM 194 O PHE A 14 -3.075 -8.199 -7.302 1.00 0.00 O ATOM 195 CB PHE A 14 -2.532 -5.086 -6.231 1.00 0.00 C ATOM 196 CG PHE A 14 -2.039 -4.082 -5.197 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.211 -4.465 -4.121 1.00 0.00 C ATOM 198 CD2 PHE A 14 -2.391 -2.726 -5.345 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.667 -3.490 -3.266 1.00 0.00 C ATOM 200 CE2 PHE A 14 -1.831 -1.750 -4.503 1.00 0.00 C ATOM 201 CZ PHE A 14 -0.970 -2.132 -3.461 1.00 0.00 C ATOM 202 H PHE A 14 -0.024 -5.252 -6.608 1.00 0.00 H ATOM 203 HA PHE A 14 -1.959 -6.988 -5.428 1.00 0.00 H ATOM 204 1HB PHE A 14 -2.499 -4.598 -7.206 1.00 0.00 H ATOM 205 2HB PHE A 14 -3.577 -5.306 -6.007 1.00 0.00 H ATOM 206 HD1 PHE A 14 -0.970 -5.501 -3.942 1.00 0.00 H ATOM 207 HD2 PHE A 14 -3.067 -2.425 -6.132 1.00 0.00 H ATOM 208 HE1 PHE A 14 -0.013 -3.786 -2.459 1.00 0.00 H ATOM 209 HE2 PHE A 14 -2.055 -0.705 -4.662 1.00 0.00 H ATOM 210 HZ PHE A 14 -0.545 -1.383 -2.808 1.00 0.00 H ATOM 211 N GLN A 15 -1.928 -6.892 -8.741 1.00 0.00 N ATOM 212 CA GLN A 15 -2.341 -7.570 -9.959 1.00 0.00 C ATOM 213 C GLN A 15 -1.439 -8.783 -10.194 1.00 0.00 C ATOM 214 O GLN A 15 -1.917 -9.914 -10.235 1.00 0.00 O ATOM 215 CB GLN A 15 -2.298 -6.592 -11.141 1.00 0.00 C ATOM 216 CG GLN A 15 -3.220 -5.385 -10.918 1.00 0.00 C ATOM 217 CD GLN A 15 -3.145 -4.373 -12.060 1.00 0.00 C ATOM 218 OE1 GLN A 15 -2.467 -4.599 -13.061 1.00 0.00 O ATOM 219 NE2 GLN A 15 -3.846 -3.245 -11.895 1.00 0.00 N ATOM 220 H GLN A 15 -1.294 -6.112 -8.835 1.00 0.00 H ATOM 221 HA GLN A 15 -3.371 -7.918 -9.853 1.00 0.00 H ATOM 222 1HB GLN A 15 -1.279 -6.237 -11.279 1.00 0.00 H ATOM 223 2HB GLN A 15 -2.609 -7.119 -12.045 1.00 0.00 H ATOM 224 1HG GLN A 15 -4.248 -5.733 -10.822 1.00 0.00 H ATOM 225 2HG GLN A 15 -2.938 -4.868 -10.001 1.00 0.00 H ATOM 226 1HE2 GLN A 15 -4.381 -3.123 -11.048 1.00 0.00 H HETATM 227 N NH2 A 16 -0.131 -8.556 -10.345 1.00 0.00 N HETATM 228 1HN NH2 A 16 0.497 -9.333 -10.490 1.00 0.00 H HETATM 229 2HN NH2 A 16 0.232 -7.612 -10.331 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -3.863 -2.168 -12.871 1.00 0.00 C HETATM 232 C2 LNK A 17 -5.010 -1.200 -12.557 1.00 0.00 C HETATM 233 C3 LNK A 17 -5.175 -0.112 -13.630 1.00 0.00 C HETATM 234 C4 LNK A 17 -3.935 0.765 -13.857 1.00 0.00 C HETATM 235 C5 LNK A 17 -3.572 1.599 -12.624 1.00 0.00 C HETATM 236 H11 LNK A 17 -4.004 -2.579 -13.872 1.00 0.00 H HETATM 237 H12 LNK A 17 -2.906 -1.650 -12.823 1.00 0.00 H HETATM 238 H21 LNK A 17 -5.940 -1.769 -12.516 1.00 0.00 H HETATM 239 H22 LNK A 17 -4.851 -0.747 -11.579 1.00 0.00 H HETATM 240 H31 LNK A 17 -5.427 -0.598 -14.573 1.00 0.00 H HETATM 241 H32 LNK A 17 -6.011 0.529 -13.347 1.00 0.00 H HETATM 242 H41 LNK A 17 -4.150 1.450 -14.679 1.00 0.00 H HETATM 243 H42 LNK A 17 -3.089 0.146 -14.152 1.00 0.00 H HETATM 244 H51 LNK A 17 -4.389 2.287 -12.399 1.00 0.00 H HETATM 245 H52 LNK A 17 -3.400 0.951 -11.765 1.00 0.00 H ENDMDL MODEL 14 HETATM 1 C ACE A 3 1.482 11.320 -9.065 1.00 0.00 C HETATM 2 O ACE A 3 1.362 11.681 -7.896 1.00 0.00 O HETATM 3 CH3 ACE A 3 2.103 12.254 -10.097 1.00 0.00 C HETATM 4 1H ACE A 3 1.337 12.583 -10.798 1.00 0.00 H HETATM 5 2H ACE A 3 2.531 13.124 -9.599 1.00 0.00 H HETATM 6 3H ACE A 3 2.892 11.732 -10.640 1.00 0.00 H ATOM 7 N ARG A 4 1.099 10.117 -9.509 1.00 0.00 N ATOM 8 CA ARG A 4 0.521 9.069 -8.679 1.00 0.00 C ATOM 9 C ARG A 4 1.233 7.741 -8.966 1.00 0.00 C ATOM 10 O ARG A 4 0.723 6.931 -9.740 1.00 0.00 O ATOM 11 CB ARG A 4 -0.997 8.980 -8.911 1.00 0.00 C ATOM 12 CG ARG A 4 -1.413 8.932 -10.392 1.00 0.00 C ATOM 13 CD ARG A 4 -2.562 7.944 -10.616 1.00 0.00 C ATOM 14 NE ARG A 4 -2.118 6.561 -10.394 1.00 0.00 N ATOM 15 CZ ARG A 4 -2.873 5.469 -10.596 1.00 0.00 C ATOM 16 NH1 ARG A 4 -4.134 5.580 -11.038 1.00 0.00 N ATOM 17 NH2 ARG A 4 -2.362 4.256 -10.354 1.00 0.00 N ATOM 18 H ARG A 4 1.238 9.903 -10.486 1.00 0.00 H ATOM 19 HA ARG A 4 0.645 9.302 -7.621 1.00 0.00 H ATOM 20 1HB ARG A 4 -1.366 8.100 -8.385 1.00 0.00 H ATOM 21 2HB ARG A 4 -1.472 9.851 -8.457 1.00 0.00 H ATOM 22 1HG ARG A 4 -1.734 9.929 -10.697 1.00 0.00 H ATOM 23 2HG ARG A 4 -0.583 8.637 -11.033 1.00 0.00 H ATOM 24 1HD ARG A 4 -3.384 8.182 -9.939 1.00 0.00 H ATOM 25 2HD ARG A 4 -2.907 8.045 -11.646 1.00 0.00 H ATOM 26 HE ARG A 4 -1.164 6.442 -10.075 1.00 0.00 H ATOM 27 1HH1 ARG A 4 -4.531 6.492 -11.212 1.00 0.00 H ATOM 28 2HH1 ARG A 4 -4.690 4.752 -11.199 1.00 0.00 H ATOM 29 1HH2 ARG A 4 -1.417 4.164 -10.012 1.00 0.00 H ATOM 30 2HH2 ARG A 4 -2.921 3.429 -10.508 1.00 0.00 H ATOM 31 N PRO A 5 2.401 7.484 -8.351 1.00 0.00 N ATOM 32 CA PRO A 5 3.199 6.290 -8.607 1.00 0.00 C ATOM 33 C PRO A 5 2.661 5.086 -7.818 1.00 0.00 C ATOM 34 O PRO A 5 3.409 4.382 -7.145 1.00 0.00 O ATOM 35 CB PRO A 5 4.622 6.692 -8.205 1.00 0.00 C ATOM 36 CG PRO A 5 4.372 7.625 -7.023 1.00 0.00 C ATOM 37 CD PRO A 5 3.109 8.378 -7.448 1.00 0.00 C ATOM 38 HA PRO A 5 3.193 6.039 -9.669 1.00 0.00 H ATOM 39 1HB PRO A 5 5.270 5.854 -7.950 1.00 0.00 H ATOM 40 2HB PRO A 5 5.071 7.265 -9.017 1.00 0.00 H ATOM 41 1HG PRO A 5 4.163 7.028 -6.134 1.00 0.00 H ATOM 42 2HG PRO A 5 5.214 8.294 -6.841 1.00 0.00 H ATOM 43 1HD PRO A 5 2.517 8.625 -6.566 1.00 0.00 H ATOM 44 2HD PRO A 5 3.391 9.287 -7.980 1.00 0.00 H ATOM 45 N LEU A 6 1.348 4.856 -7.910 1.00 0.00 N ATOM 46 CA LEU A 6 0.664 3.666 -7.432 1.00 0.00 C ATOM 47 C LEU A 6 0.605 2.626 -8.556 1.00 0.00 C ATOM 48 O LEU A 6 0.395 1.448 -8.283 1.00 0.00 O ATOM 49 CB LEU A 6 -0.759 4.032 -6.977 1.00 0.00 C ATOM 50 CG LEU A 6 -0.872 4.802 -5.648 1.00 0.00 C ATOM 51 CD1 LEU A 6 -0.388 3.974 -4.452 1.00 0.00 C ATOM 52 CD2 LEU A 6 -0.176 6.168 -5.662 1.00 0.00 C ATOM 53 H LEU A 6 0.796 5.489 -8.470 1.00 0.00 H ATOM 54 HA LEU A 6 1.205 3.222 -6.596 1.00 0.00 H ATOM 55 1HB LEU A 6 -1.237 4.619 -7.761 1.00 0.00 H ATOM 56 2HB LEU A 6 -1.329 3.108 -6.863 1.00 0.00 H ATOM 57 HG LEU A 6 -1.937 4.988 -5.494 1.00 0.00 H ATOM 58 1HD1 LEU A 6 -0.857 2.990 -4.468 1.00 0.00 H ATOM 59 2HD1 LEU A 6 0.695 3.857 -4.469 1.00 0.00 H ATOM 60 3HD1 LEU A 6 -0.671 4.480 -3.529 1.00 0.00 H ATOM 61 1HD2 LEU A 6 -0.477 6.727 -6.547 1.00 0.00 H ATOM 62 2HD2 LEU A 6 -0.468 6.730 -4.775 1.00 0.00 H ATOM 63 3HD2 LEU A 6 0.907 6.052 -5.651 1.00 0.00 H ATOM 64 N GLN A 7 0.742 3.061 -9.818 1.00 0.00 N ATOM 65 CA GLN A 7 0.500 2.243 -10.996 1.00 0.00 C ATOM 66 C GLN A 7 1.451 1.047 -11.065 1.00 0.00 C ATOM 67 O GLN A 7 0.996 -0.084 -11.235 1.00 0.00 O ATOM 68 CB GLN A 7 0.609 3.125 -12.250 1.00 0.00 C ATOM 69 CG GLN A 7 0.267 2.385 -13.550 1.00 0.00 C ATOM 70 CD GLN A 7 -1.181 1.901 -13.582 1.00 0.00 C ATOM 71 OE1 GLN A 7 -2.054 2.606 -14.086 1.00 0.00 O ATOM 72 NE2 GLN A 7 -1.430 0.701 -13.044 1.00 0.00 N ATOM 73 H GLN A 7 0.929 4.039 -9.978 1.00 0.00 H ATOM 74 HA GLN A 7 -0.521 1.872 -10.909 1.00 0.00 H ATOM 75 1HB GLN A 7 -0.068 3.975 -12.149 1.00 0.00 H ATOM 76 2HB GLN A 7 1.627 3.507 -12.330 1.00 0.00 H ATOM 77 1HG GLN A 7 0.413 3.079 -14.380 1.00 0.00 H ATOM 78 2HG GLN A 7 0.942 1.542 -13.698 1.00 0.00 H ATOM 79 1HE2 GLN A 7 -0.662 0.186 -12.633 1.00 0.00 H ATOM 80 N TRP A 8 2.761 1.303 -10.935 1.00 0.00 N ATOM 81 CA TRP A 8 3.785 0.265 -10.915 1.00 0.00 C ATOM 82 C TRP A 8 3.547 -0.685 -9.735 1.00 0.00 C ATOM 83 O TRP A 8 3.657 -1.901 -9.871 1.00 0.00 O ATOM 84 CB TRP A 8 5.185 0.898 -10.856 1.00 0.00 C ATOM 85 CG TRP A 8 5.570 1.511 -9.544 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.353 2.792 -9.179 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.145 0.857 -8.370 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.735 2.977 -7.868 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.214 1.810 -7.313 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.568 -0.458 -8.073 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.671 1.478 -6.029 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.037 -0.797 -6.790 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.091 0.166 -5.770 1.00 0.00 C ATOM 94 H TRP A 8 3.059 2.258 -10.802 1.00 0.00 H ATOM 95 HA TRP A 8 3.730 -0.286 -11.852 1.00 0.00 H ATOM 96 1HB TRP A 8 5.914 0.117 -11.076 1.00 0.00 H ATOM 97 2HB TRP A 8 5.266 1.653 -11.640 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.901 3.552 -9.800 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.623 3.834 -7.345 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.515 -1.219 -8.838 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.679 2.218 -5.243 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.348 -1.808 -6.580 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.445 -0.105 -4.785 1.00 0.00 H ATOM 104 N LEU A 9 3.217 -0.108 -8.575 1.00 0.00 N ATOM 105 CA LEU A 9 3.033 -0.809 -7.315 1.00 0.00 C ATOM 106 C LEU A 9 1.872 -1.801 -7.451 1.00 0.00 C ATOM 107 O LEU A 9 1.985 -2.953 -7.037 1.00 0.00 O ATOM 108 CB LEU A 9 2.832 0.246 -6.208 1.00 0.00 C ATOM 109 CG LEU A 9 3.396 -0.149 -4.834 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.620 1.113 -3.990 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.455 -1.074 -4.063 1.00 0.00 C ATOM 112 H LEU A 9 3.128 0.897 -8.558 1.00 0.00 H ATOM 113 HA LEU A 9 3.950 -1.364 -7.114 1.00 0.00 H ATOM 114 1HB LEU A 9 3.382 1.139 -6.509 1.00 0.00 H ATOM 115 2HB LEU A 9 1.780 0.520 -6.119 1.00 0.00 H ATOM 116 HG LEU A 9 4.357 -0.647 -4.963 1.00 0.00 H ATOM 117 1HD1 LEU A 9 4.318 1.781 -4.493 1.00 0.00 H ATOM 118 2HD1 LEU A 9 2.676 1.639 -3.842 1.00 0.00 H ATOM 119 3HD1 LEU A 9 4.035 0.841 -3.019 1.00 0.00 H ATOM 120 1HD2 LEU A 9 2.172 -1.929 -4.669 1.00 0.00 H ATOM 121 2HD2 LEU A 9 2.963 -1.424 -3.164 1.00 0.00 H ATOM 122 3HD2 LEU A 9 1.558 -0.526 -3.781 1.00 0.00 H ATOM 123 N ALA A 10 0.783 -1.362 -8.092 1.00 0.00 N ATOM 124 CA ALA A 10 -0.387 -2.176 -8.364 1.00 0.00 C ATOM 125 C ALA A 10 -0.060 -3.338 -9.299 1.00 0.00 C ATOM 126 O ALA A 10 -0.270 -4.489 -8.925 1.00 0.00 O ATOM 127 CB ALA A 10 -1.519 -1.303 -8.914 1.00 0.00 C ATOM 128 H ALA A 10 0.764 -0.403 -8.409 1.00 0.00 H ATOM 129 HA ALA A 10 -0.715 -2.596 -7.418 1.00 0.00 H ATOM 130 1HB ALA A 10 -1.775 -0.533 -8.186 1.00 0.00 H ATOM 131 2HB ALA A 10 -1.215 -0.827 -9.846 1.00 0.00 H ATOM 132 3HB ALA A 10 -2.399 -1.920 -9.098 1.00 0.00 H ATOM 133 N GLU A 11 0.454 -3.060 -10.504 1.00 0.00 N ATOM 134 CA GLU A 11 0.723 -4.119 -11.472 1.00 0.00 C ATOM 135 C GLU A 11 1.735 -5.141 -10.943 1.00 0.00 C ATOM 136 O GLU A 11 1.617 -6.326 -11.246 1.00 0.00 O ATOM 137 CB GLU A 11 1.068 -3.550 -12.857 1.00 0.00 C ATOM 138 CG GLU A 11 2.382 -2.763 -12.953 1.00 0.00 C ATOM 139 CD GLU A 11 3.643 -3.626 -12.908 1.00 0.00 C ATOM 140 OE1 GLU A 11 4.649 -3.128 -12.357 1.00 0.00 O ATOM 141 OE2 GLU A 11 3.591 -4.758 -13.436 1.00 0.00 O ATOM 142 H GLU A 11 0.628 -2.098 -10.769 1.00 0.00 H ATOM 143 HA GLU A 11 -0.215 -4.655 -11.611 1.00 0.00 H ATOM 144 1HB GLU A 11 1.067 -4.359 -13.589 1.00 0.00 H ATOM 145 2HB GLU A 11 0.269 -2.862 -13.130 1.00 0.00 H ATOM 146 1HG GLU A 11 2.389 -2.222 -13.900 1.00 0.00 H ATOM 147 2HG GLU A 11 2.406 -2.037 -12.148 1.00 0.00 H ATOM 148 N LYS A 12 2.702 -4.694 -10.130 1.00 0.00 N ATOM 149 CA LYS A 12 3.699 -5.562 -9.526 1.00 0.00 C ATOM 150 C LYS A 12 3.069 -6.442 -8.442 1.00 0.00 C ATOM 151 O LYS A 12 3.054 -7.664 -8.577 1.00 0.00 O ATOM 152 CB LYS A 12 4.856 -4.711 -8.980 1.00 0.00 C ATOM 153 CG LYS A 12 5.952 -5.581 -8.352 1.00 0.00 C ATOM 154 CD LYS A 12 7.106 -4.713 -7.844 1.00 0.00 C ATOM 155 CE LYS A 12 8.178 -5.587 -7.187 1.00 0.00 C ATOM 156 NZ LYS A 12 9.228 -4.768 -6.557 1.00 0.00 N ATOM 157 H LYS A 12 2.761 -3.704 -9.930 1.00 0.00 H ATOM 158 HA LYS A 12 4.109 -6.210 -10.304 1.00 0.00 H ATOM 159 1HB LYS A 12 5.291 -4.144 -9.804 1.00 0.00 H ATOM 160 2HB LYS A 12 4.481 -4.008 -8.235 1.00 0.00 H ATOM 161 1HG LYS A 12 5.544 -6.139 -7.508 1.00 0.00 H ATOM 162 2HG LYS A 12 6.327 -6.286 -9.095 1.00 0.00 H ATOM 163 1HD LYS A 12 7.546 -4.157 -8.674 1.00 0.00 H ATOM 164 2HD LYS A 12 6.716 -4.008 -7.112 1.00 0.00 H ATOM 165 1HE LYS A 12 7.721 -6.212 -6.420 1.00 0.00 H ATOM 166 2HE LYS A 12 8.634 -6.230 -7.940 1.00 0.00 H ATOM 167 1HZ LYS A 12 9.667 -4.181 -7.251 1.00 0.00 H ATOM 168 2HZ LYS A 12 8.815 -4.192 -5.836 1.00 0.00 H ATOM 169 3HZ LYS A 12 9.922 -5.375 -6.142 1.00 0.00 H ATOM 170 N TYR A 13 2.593 -5.827 -7.351 1.00 0.00 N ATOM 171 CA TYR A 13 2.168 -6.543 -6.155 1.00 0.00 C ATOM 172 C TYR A 13 0.701 -6.961 -6.226 1.00 0.00 C ATOM 173 O TYR A 13 0.391 -8.128 -5.992 1.00 0.00 O ATOM 174 CB TYR A 13 2.440 -5.695 -4.907 1.00 0.00 C ATOM 175 CG TYR A 13 3.910 -5.407 -4.653 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.749 -6.420 -4.152 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.427 -4.114 -4.853 1.00 0.00 C ATOM 178 CE1 TYR A 13 6.090 -6.135 -3.836 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.763 -3.827 -4.529 1.00 0.00 C ATOM 180 CZ TYR A 13 6.597 -4.838 -4.024 1.00 0.00 C ATOM 181 OH TYR A 13 7.898 -4.557 -3.722 1.00 0.00 O ATOM 182 H TYR A 13 2.599 -4.816 -7.315 1.00 0.00 H ATOM 183 HA TYR A 13 2.761 -7.454 -6.056 1.00 0.00 H ATOM 184 1HB TYR A 13 1.890 -4.757 -4.982 1.00 0.00 H ATOM 185 2HB TYR A 13 2.056 -6.234 -4.040 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.364 -7.417 -3.996 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.797 -3.334 -5.244 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.724 -6.914 -3.439 1.00 0.00 H ATOM 189 HE2 TYR A 13 6.148 -2.828 -4.669 1.00 0.00 H ATOM 190 HH TYR A 13 8.378 -5.313 -3.376 1.00 0.00 H ATOM 191 N PHE A 14 -0.209 -6.023 -6.519 1.00 0.00 N ATOM 192 CA PHE A 14 -1.641 -6.290 -6.423 1.00 0.00 C ATOM 193 C PHE A 14 -2.059 -7.268 -7.525 1.00 0.00 C ATOM 194 O PHE A 14 -2.868 -8.157 -7.272 1.00 0.00 O ATOM 195 CB PHE A 14 -2.478 -5.001 -6.467 1.00 0.00 C ATOM 196 CG PHE A 14 -2.120 -3.877 -5.503 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.173 -4.044 -4.470 1.00 0.00 C ATOM 198 CD2 PHE A 14 -2.703 -2.611 -5.703 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.709 -2.930 -3.750 1.00 0.00 C ATOM 200 CE2 PHE A 14 -2.267 -1.503 -4.956 1.00 0.00 C ATOM 201 CZ PHE A 14 -1.257 -1.659 -3.991 1.00 0.00 C ATOM 202 H PHE A 14 0.089 -5.087 -6.756 1.00 0.00 H ATOM 203 HA PHE A 14 -1.837 -6.768 -5.462 1.00 0.00 H ATOM 204 1HB PHE A 14 -2.434 -4.600 -7.478 1.00 0.00 H ATOM 205 2HB PHE A 14 -3.515 -5.278 -6.273 1.00 0.00 H ATOM 206 HD1 PHE A 14 -0.781 -5.017 -4.221 1.00 0.00 H ATOM 207 HD2 PHE A 14 -3.458 -2.477 -6.464 1.00 0.00 H ATOM 208 HE1 PHE A 14 0.077 -3.054 -3.017 1.00 0.00 H ATOM 209 HE2 PHE A 14 -2.700 -0.529 -5.132 1.00 0.00 H ATOM 210 HZ PHE A 14 -0.909 -0.804 -3.431 1.00 0.00 H ATOM 211 N GLN A 15 -1.474 -7.129 -8.723 1.00 0.00 N ATOM 212 CA GLN A 15 -1.591 -8.105 -9.801 1.00 0.00 C ATOM 213 C GLN A 15 -0.271 -8.877 -9.928 1.00 0.00 C ATOM 214 O GLN A 15 0.186 -9.163 -11.032 1.00 0.00 O ATOM 215 CB GLN A 15 -1.981 -7.407 -11.113 1.00 0.00 C ATOM 216 CG GLN A 15 -3.301 -6.626 -10.994 1.00 0.00 C ATOM 217 CD GLN A 15 -3.104 -5.118 -11.145 1.00 0.00 C ATOM 218 OE1 GLN A 15 -3.075 -4.390 -10.154 1.00 0.00 O ATOM 219 NE2 GLN A 15 -2.984 -4.658 -12.396 1.00 0.00 N ATOM 220 H GLN A 15 -0.837 -6.355 -8.863 1.00 0.00 H ATOM 221 HA GLN A 15 -2.371 -8.834 -9.577 1.00 0.00 H ATOM 222 1HB GLN A 15 -1.173 -6.747 -11.430 1.00 0.00 H ATOM 223 2HB GLN A 15 -2.109 -8.172 -11.880 1.00 0.00 H ATOM 224 1HG GLN A 15 -3.980 -6.964 -11.778 1.00 0.00 H ATOM 225 2HG GLN A 15 -3.780 -6.830 -10.036 1.00 0.00 H ATOM 226 1HE2 GLN A 15 -3.026 -5.317 -13.160 1.00 0.00 H HETATM 227 N NH2 A 16 0.351 -9.227 -8.797 1.00 0.00 N HETATM 228 1HN NH2 A 16 1.234 -9.714 -8.846 1.00 0.00 H HETATM 229 2HN NH2 A 16 -0.038 -8.977 -7.897 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -2.800 -3.254 -12.730 1.00 0.00 C HETATM 232 C2 LNK A 17 -2.645 -3.107 -14.247 1.00 0.00 C HETATM 233 C3 LNK A 17 -2.192 -1.715 -14.711 1.00 0.00 C HETATM 234 C4 LNK A 17 -3.129 -0.565 -14.306 1.00 0.00 C HETATM 235 C5 LNK A 17 -2.756 0.105 -12.975 1.00 0.00 C HETATM 236 H11 LNK A 17 -1.907 -2.881 -12.229 1.00 0.00 H HETATM 237 H12 LNK A 17 -3.670 -2.693 -12.389 1.00 0.00 H HETATM 238 H21 LNK A 17 -1.895 -3.822 -14.589 1.00 0.00 H HETATM 239 H22 LNK A 17 -3.595 -3.353 -14.725 1.00 0.00 H HETATM 240 H31 LNK A 17 -1.178 -1.519 -14.367 1.00 0.00 H HETATM 241 H32 LNK A 17 -2.168 -1.746 -15.802 1.00 0.00 H HETATM 242 H41 LNK A 17 -4.154 -0.932 -14.256 1.00 0.00 H HETATM 243 H42 LNK A 17 -3.086 0.197 -15.087 1.00 0.00 H HETATM 244 H51 LNK A 17 -3.493 0.878 -12.752 1.00 0.00 H HETATM 245 H52 LNK A 17 -2.771 -0.616 -12.160 1.00 0.00 H ENDMDL MODEL 15 HETATM 1 C ACE A 3 0.402 10.940 -7.661 1.00 0.00 C HETATM 2 O ACE A 3 -0.237 10.487 -8.609 1.00 0.00 O HETATM 3 CH3 ACE A 3 0.955 12.358 -7.717 1.00 0.00 C HETATM 4 1H ACE A 3 0.647 12.843 -8.644 1.00 0.00 H HETATM 5 2H ACE A 3 0.580 12.934 -6.871 1.00 0.00 H HETATM 6 3H ACE A 3 2.044 12.325 -7.677 1.00 0.00 H ATOM 7 N ARG A 4 0.663 10.249 -6.544 1.00 0.00 N ATOM 8 CA ARG A 4 0.265 8.867 -6.296 1.00 0.00 C ATOM 9 C ARG A 4 0.682 7.930 -7.440 1.00 0.00 C ATOM 10 O ARG A 4 -0.180 7.318 -8.069 1.00 0.00 O ATOM 11 CB ARG A 4 -1.246 8.798 -6.005 1.00 0.00 C ATOM 12 CG ARG A 4 -1.681 9.659 -4.807 1.00 0.00 C ATOM 13 CD ARG A 4 -1.073 9.199 -3.476 1.00 0.00 C ATOM 14 NE ARG A 4 -1.465 7.820 -3.162 1.00 0.00 N ATOM 15 CZ ARG A 4 -0.973 7.092 -2.148 1.00 0.00 C ATOM 16 NH1 ARG A 4 -0.004 7.578 -1.360 1.00 0.00 N ATOM 17 NH2 ARG A 4 -1.459 5.865 -1.923 1.00 0.00 N ATOM 18 H ARG A 4 1.187 10.709 -5.815 1.00 0.00 H ATOM 19 HA ARG A 4 0.794 8.518 -5.411 1.00 0.00 H ATOM 20 1HB ARG A 4 -1.799 9.139 -6.881 1.00 0.00 H ATOM 21 2HB ARG A 4 -1.529 7.763 -5.818 1.00 0.00 H ATOM 22 1HG ARG A 4 -1.412 10.702 -4.981 1.00 0.00 H ATOM 23 2HG ARG A 4 -2.767 9.604 -4.724 1.00 0.00 H ATOM 24 1HD ARG A 4 0.013 9.288 -3.511 1.00 0.00 H ATOM 25 2HD ARG A 4 -1.440 9.852 -2.683 1.00 0.00 H ATOM 26 HE ARG A 4 -2.186 7.413 -3.741 1.00 0.00 H ATOM 27 1HH1 ARG A 4 0.361 8.505 -1.524 1.00 0.00 H ATOM 28 2HH1 ARG A 4 0.363 7.020 -0.603 1.00 0.00 H ATOM 29 1HH2 ARG A 4 -2.186 5.491 -2.516 1.00 0.00 H ATOM 30 2HH2 ARG A 4 -1.094 5.305 -1.166 1.00 0.00 H ATOM 31 N PRO A 5 1.993 7.776 -7.705 1.00 0.00 N ATOM 32 CA PRO A 5 2.507 6.923 -8.768 1.00 0.00 C ATOM 33 C PRO A 5 2.569 5.461 -8.307 1.00 0.00 C ATOM 34 O PRO A 5 3.617 4.825 -8.392 1.00 0.00 O ATOM 35 CB PRO A 5 3.896 7.498 -9.070 1.00 0.00 C ATOM 36 CG PRO A 5 4.372 7.929 -7.683 1.00 0.00 C ATOM 37 CD PRO A 5 3.091 8.476 -7.052 1.00 0.00 C ATOM 38 HA PRO A 5 1.888 6.989 -9.663 1.00 0.00 H ATOM 39 1HB PRO A 5 4.576 6.795 -9.551 1.00 0.00 H ATOM 40 2HB PRO A 5 3.786 8.384 -9.698 1.00 0.00 H ATOM 41 1HG PRO A 5 4.716 7.057 -7.125 1.00 0.00 H ATOM 42 2HG PRO A 5 5.162 8.678 -7.733 1.00 0.00 H ATOM 43 1HD PRO A 5 3.096 8.310 -5.974 1.00 0.00 H ATOM 44 2HD PRO A 5 3.033 9.541 -7.272 1.00 0.00 H ATOM 45 N LEU A 6 1.440 4.916 -7.836 1.00 0.00 N ATOM 46 CA LEU A 6 1.324 3.523 -7.420 1.00 0.00 C ATOM 47 C LEU A 6 0.892 2.638 -8.601 1.00 0.00 C ATOM 48 O LEU A 6 0.315 1.572 -8.392 1.00 0.00 O ATOM 49 CB LEU A 6 0.344 3.405 -6.238 1.00 0.00 C ATOM 50 CG LEU A 6 0.871 3.968 -4.904 1.00 0.00 C ATOM 51 CD1 LEU A 6 0.919 5.500 -4.862 1.00 0.00 C ATOM 52 CD2 LEU A 6 -0.040 3.478 -3.773 1.00 0.00 C ATOM 53 H LEU A 6 0.606 5.487 -7.799 1.00 0.00 H ATOM 54 HA LEU A 6 2.293 3.155 -7.080 1.00 0.00 H ATOM 55 1HB LEU A 6 -0.606 3.876 -6.495 1.00 0.00 H ATOM 56 2HB LEU A 6 0.156 2.345 -6.066 1.00 0.00 H ATOM 57 HG LEU A 6 1.875 3.583 -4.721 1.00 0.00 H ATOM 58 1HD1 LEU A 6 -0.030 5.909 -5.207 1.00 0.00 H ATOM 59 2HD1 LEU A 6 1.098 5.833 -3.839 1.00 0.00 H ATOM 60 3HD1 LEU A 6 1.731 5.874 -5.481 1.00 0.00 H ATOM 61 1HD2 LEU A 6 -0.084 2.389 -3.770 1.00 0.00 H ATOM 62 2HD2 LEU A 6 0.348 3.811 -2.809 1.00 0.00 H ATOM 63 3HD2 LEU A 6 -1.046 3.873 -3.912 1.00 0.00 H ATOM 64 N GLN A 7 1.165 3.062 -9.843 1.00 0.00 N ATOM 65 CA GLN A 7 0.756 2.352 -11.047 1.00 0.00 C ATOM 66 C GLN A 7 1.541 1.041 -11.144 1.00 0.00 C ATOM 67 O GLN A 7 0.956 -0.042 -11.161 1.00 0.00 O ATOM 68 CB GLN A 7 0.967 3.263 -12.270 1.00 0.00 C ATOM 69 CG GLN A 7 0.036 2.917 -13.439 1.00 0.00 C ATOM 70 CD GLN A 7 0.243 1.509 -13.995 1.00 0.00 C ATOM 71 OE1 GLN A 7 1.377 1.087 -14.217 1.00 0.00 O ATOM 72 NE2 GLN A 7 -0.863 0.794 -14.227 1.00 0.00 N ATOM 73 H GLN A 7 1.663 3.931 -9.964 1.00 0.00 H ATOM 74 HA GLN A 7 -0.308 2.129 -10.960 1.00 0.00 H ATOM 75 1HB GLN A 7 0.738 4.290 -11.984 1.00 0.00 H ATOM 76 2HB GLN A 7 2.006 3.235 -12.601 1.00 0.00 H ATOM 77 1HG GLN A 7 -0.996 3.039 -13.108 1.00 0.00 H ATOM 78 2HG GLN A 7 0.218 3.627 -14.246 1.00 0.00 H ATOM 79 1HE2 GLN A 7 -1.761 1.210 -14.027 1.00 0.00 H ATOM 80 N TRP A 8 2.874 1.161 -11.168 1.00 0.00 N ATOM 81 CA TRP A 8 3.803 0.042 -11.137 1.00 0.00 C ATOM 82 C TRP A 8 3.578 -0.819 -9.891 1.00 0.00 C ATOM 83 O TRP A 8 3.721 -2.035 -9.955 1.00 0.00 O ATOM 84 CB TRP A 8 5.243 0.576 -11.159 1.00 0.00 C ATOM 85 CG TRP A 8 5.672 1.268 -9.899 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.471 2.571 -9.607 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.238 0.673 -8.691 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.847 2.823 -8.303 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.309 1.679 -7.684 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.645 -0.630 -8.328 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.757 1.404 -6.382 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.104 -0.914 -7.029 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.169 0.102 -6.059 1.00 0.00 C ATOM 94 H TRP A 8 3.270 2.089 -11.157 1.00 0.00 H ATOM 95 HA TRP A 8 3.642 -0.567 -12.028 1.00 0.00 H ATOM 96 1HB TRP A 8 5.913 -0.269 -11.320 1.00 0.00 H ATOM 97 2HB TRP A 8 5.359 1.257 -12.004 1.00 0.00 H ATOM 98 HD1 TRP A 8 5.023 3.296 -10.270 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.759 3.714 -7.836 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.587 -1.426 -9.056 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.766 2.178 -5.629 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.399 -1.921 -6.772 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.524 -0.123 -5.064 1.00 0.00 H ATOM 104 N LEU A 9 3.260 -0.182 -8.757 1.00 0.00 N ATOM 105 CA LEU A 9 3.119 -0.840 -7.469 1.00 0.00 C ATOM 106 C LEU A 9 1.923 -1.788 -7.528 1.00 0.00 C ATOM 107 O LEU A 9 2.059 -2.971 -7.226 1.00 0.00 O ATOM 108 CB LEU A 9 3.000 0.231 -6.371 1.00 0.00 C ATOM 109 CG LEU A 9 3.569 -0.203 -5.010 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.658 1.018 -4.089 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.722 -1.278 -4.325 1.00 0.00 C ATOM 112 H LEU A 9 3.162 0.822 -8.780 1.00 0.00 H ATOM 113 HA LEU A 9 4.023 -1.424 -7.289 1.00 0.00 H ATOM 114 1HB LEU A 9 3.592 1.090 -6.687 1.00 0.00 H ATOM 115 2HB LEU A 9 1.965 0.556 -6.260 1.00 0.00 H ATOM 116 HG LEU A 9 4.578 -0.593 -5.150 1.00 0.00 H ATOM 117 1HD1 LEU A 9 4.268 1.794 -4.551 1.00 0.00 H ATOM 118 2HD1 LEU A 9 2.659 1.411 -3.899 1.00 0.00 H ATOM 119 3HD1 LEU A 9 4.116 0.734 -3.141 1.00 0.00 H ATOM 120 1HD2 LEU A 9 1.696 -0.929 -4.205 1.00 0.00 H ATOM 121 2HD2 LEU A 9 2.731 -2.190 -4.914 1.00 0.00 H ATOM 122 3HD2 LEU A 9 3.145 -1.499 -3.345 1.00 0.00 H ATOM 123 N ALA A 10 0.769 -1.279 -7.975 1.00 0.00 N ATOM 124 CA ALA A 10 -0.433 -2.071 -8.170 1.00 0.00 C ATOM 125 C ALA A 10 -0.198 -3.216 -9.152 1.00 0.00 C ATOM 126 O ALA A 10 -0.582 -4.346 -8.862 1.00 0.00 O ATOM 127 CB ALA A 10 -1.588 -1.177 -8.626 1.00 0.00 C ATOM 128 H ALA A 10 0.727 -0.297 -8.216 1.00 0.00 H ATOM 129 HA ALA A 10 -0.697 -2.501 -7.208 1.00 0.00 H ATOM 130 1HB ALA A 10 -1.770 -0.405 -7.877 1.00 0.00 H ATOM 131 2HB ALA A 10 -1.347 -0.706 -9.579 1.00 0.00 H ATOM 132 3HB ALA A 10 -2.492 -1.776 -8.741 1.00 0.00 H ATOM 133 N GLU A 11 0.439 -2.931 -10.296 1.00 0.00 N ATOM 134 CA GLU A 11 0.773 -3.928 -11.306 1.00 0.00 C ATOM 135 C GLU A 11 1.594 -5.069 -10.701 1.00 0.00 C ATOM 136 O GLU A 11 1.246 -6.238 -10.844 1.00 0.00 O ATOM 137 CB GLU A 11 1.543 -3.243 -12.445 1.00 0.00 C ATOM 138 CG GLU A 11 1.816 -4.166 -13.639 1.00 0.00 C ATOM 139 CD GLU A 11 0.528 -4.597 -14.333 1.00 0.00 C ATOM 140 OE1 GLU A 11 0.066 -5.721 -14.036 1.00 0.00 O ATOM 141 OE2 GLU A 11 0.026 -3.795 -15.148 1.00 0.00 O ATOM 142 H GLU A 11 0.716 -1.974 -10.473 1.00 0.00 H ATOM 143 HA GLU A 11 -0.160 -4.328 -11.702 1.00 0.00 H ATOM 144 1HB GLU A 11 0.972 -2.384 -12.788 1.00 0.00 H ATOM 145 2HB GLU A 11 2.500 -2.881 -12.071 1.00 0.00 H ATOM 146 1HG GLU A 11 2.430 -3.623 -14.358 1.00 0.00 H ATOM 147 2HG GLU A 11 2.374 -5.046 -13.316 1.00 0.00 H ATOM 148 N LYS A 12 2.694 -4.710 -10.035 1.00 0.00 N ATOM 149 CA LYS A 12 3.668 -5.626 -9.470 1.00 0.00 C ATOM 150 C LYS A 12 3.042 -6.490 -8.371 1.00 0.00 C ATOM 151 O LYS A 12 3.087 -7.716 -8.452 1.00 0.00 O ATOM 152 CB LYS A 12 4.859 -4.799 -8.956 1.00 0.00 C ATOM 153 CG LYS A 12 5.907 -5.594 -8.164 1.00 0.00 C ATOM 154 CD LYS A 12 6.555 -6.769 -8.907 1.00 0.00 C ATOM 155 CE LYS A 12 7.422 -6.355 -10.104 1.00 0.00 C ATOM 156 NZ LYS A 12 6.641 -6.196 -11.344 1.00 0.00 N ATOM 157 H LYS A 12 2.895 -3.723 -9.957 1.00 0.00 H ATOM 158 HA LYS A 12 4.018 -6.282 -10.267 1.00 0.00 H ATOM 159 1HB LYS A 12 5.343 -4.300 -9.796 1.00 0.00 H ATOM 160 2HB LYS A 12 4.481 -4.015 -8.300 1.00 0.00 H ATOM 161 1HG LYS A 12 6.692 -4.904 -7.853 1.00 0.00 H ATOM 162 2HG LYS A 12 5.445 -5.992 -7.261 1.00 0.00 H ATOM 163 1HD LYS A 12 7.212 -7.255 -8.183 1.00 0.00 H ATOM 164 2HD LYS A 12 5.802 -7.497 -9.210 1.00 0.00 H ATOM 165 1HE LYS A 12 7.954 -5.430 -9.879 1.00 0.00 H ATOM 166 2HE LYS A 12 8.157 -7.140 -10.285 1.00 0.00 H ATOM 167 1HZ LYS A 12 6.176 -7.066 -11.561 1.00 0.00 H ATOM 168 2HZ LYS A 12 5.952 -5.468 -11.235 1.00 0.00 H ATOM 169 3HZ LYS A 12 7.264 -5.954 -12.101 1.00 0.00 H ATOM 170 N TYR A 13 2.491 -5.851 -7.333 1.00 0.00 N ATOM 171 CA TYR A 13 2.054 -6.528 -6.122 1.00 0.00 C ATOM 172 C TYR A 13 0.682 -7.174 -6.303 1.00 0.00 C ATOM 173 O TYR A 13 0.562 -8.396 -6.248 1.00 0.00 O ATOM 174 CB TYR A 13 2.038 -5.548 -4.937 1.00 0.00 C ATOM 175 CG TYR A 13 3.393 -5.255 -4.315 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.368 -4.525 -5.022 1.00 0.00 C ATOM 177 CD2 TYR A 13 3.658 -5.669 -2.996 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.584 -4.185 -4.404 1.00 0.00 C ATOM 179 CE2 TYR A 13 4.874 -5.331 -2.378 1.00 0.00 C ATOM 180 CZ TYR A 13 5.838 -4.589 -3.083 1.00 0.00 C ATOM 181 OH TYR A 13 7.019 -4.259 -2.486 1.00 0.00 O ATOM 182 H TYR A 13 2.444 -4.841 -7.351 1.00 0.00 H ATOM 183 HA TYR A 13 2.763 -7.320 -5.875 1.00 0.00 H ATOM 184 1HB TYR A 13 1.570 -4.610 -5.236 1.00 0.00 H ATOM 185 2HB TYR A 13 1.410 -5.986 -4.161 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.191 -4.217 -6.038 1.00 0.00 H ATOM 187 HD2 TYR A 13 2.926 -6.240 -2.445 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.321 -3.607 -4.945 1.00 0.00 H ATOM 189 HE2 TYR A 13 5.058 -5.634 -1.358 1.00 0.00 H ATOM 190 HH TYR A 13 7.092 -4.583 -1.585 1.00 0.00 H ATOM 191 N PHE A 14 -0.358 -6.352 -6.473 1.00 0.00 N ATOM 192 CA PHE A 14 -1.740 -6.805 -6.418 1.00 0.00 C ATOM 193 C PHE A 14 -2.160 -7.517 -7.705 1.00 0.00 C ATOM 194 O PHE A 14 -2.677 -8.631 -7.648 1.00 0.00 O ATOM 195 CB PHE A 14 -2.661 -5.622 -6.075 1.00 0.00 C ATOM 196 CG PHE A 14 -2.140 -4.690 -4.990 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.490 -5.203 -3.849 1.00 0.00 C ATOM 198 CD2 PHE A 14 -2.192 -3.297 -5.186 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.812 -4.337 -2.973 1.00 0.00 C ATOM 200 CE2 PHE A 14 -1.507 -2.432 -4.316 1.00 0.00 C ATOM 201 CZ PHE A 14 -0.806 -2.953 -3.216 1.00 0.00 C ATOM 202 H PHE A 14 -0.191 -5.358 -6.540 1.00 0.00 H ATOM 203 HA PHE A 14 -1.830 -7.525 -5.603 1.00 0.00 H ATOM 204 1HB PHE A 14 -2.814 -5.038 -6.982 1.00 0.00 H ATOM 205 2HB PHE A 14 -3.631 -6.011 -5.760 1.00 0.00 H ATOM 206 HD1 PHE A 14 -1.482 -6.265 -3.654 1.00 0.00 H ATOM 207 HD2 PHE A 14 -2.733 -2.886 -6.026 1.00 0.00 H ATOM 208 HE1 PHE A 14 -0.284 -4.736 -2.119 1.00 0.00 H ATOM 209 HE2 PHE A 14 -1.510 -1.367 -4.501 1.00 0.00 H ATOM 210 HZ PHE A 14 -0.271 -2.288 -2.553 1.00 0.00 H ATOM 211 N GLN A 15 -1.943 -6.877 -8.859 1.00 0.00 N ATOM 212 CA GLN A 15 -2.377 -7.363 -10.162 1.00 0.00 C ATOM 213 C GLN A 15 -1.231 -8.095 -10.865 1.00 0.00 C ATOM 214 O GLN A 15 -0.959 -7.859 -12.039 1.00 0.00 O ATOM 215 CB GLN A 15 -2.906 -6.184 -10.993 1.00 0.00 C ATOM 216 CG GLN A 15 -4.080 -5.499 -10.286 1.00 0.00 C ATOM 217 CD GLN A 15 -4.670 -4.374 -11.129 1.00 0.00 C ATOM 218 OE1 GLN A 15 -5.680 -4.576 -11.799 1.00 0.00 O ATOM 219 NE2 GLN A 15 -4.055 -3.186 -11.069 1.00 0.00 N ATOM 220 H GLN A 15 -1.473 -5.983 -8.832 1.00 0.00 H ATOM 221 HA GLN A 15 -3.199 -8.070 -10.043 1.00 0.00 H ATOM 222 1HB GLN A 15 -2.108 -5.459 -11.158 1.00 0.00 H ATOM 223 2HB GLN A 15 -3.252 -6.553 -11.960 1.00 0.00 H ATOM 224 1HG GLN A 15 -4.859 -6.240 -10.100 1.00 0.00 H ATOM 225 2HG GLN A 15 -3.762 -5.086 -9.330 1.00 0.00 H ATOM 226 1HE2 GLN A 15 -3.213 -3.099 -10.517 1.00 0.00 H HETATM 227 N NH2 A 16 -0.559 -9.001 -10.150 1.00 0.00 N HETATM 228 1HN NH2 A 16 0.215 -9.494 -10.571 1.00 0.00 H HETATM 229 2HN NH2 A 16 -0.819 -9.178 -9.190 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -4.596 -1.981 -11.679 1.00 0.00 C HETATM 232 C2 LNK A 17 -4.117 -1.830 -13.127 1.00 0.00 C HETATM 233 C3 LNK A 17 -2.637 -1.440 -13.205 1.00 0.00 C HETATM 234 C4 LNK A 17 -2.246 -1.179 -14.667 1.00 0.00 C HETATM 235 C5 LNK A 17 -0.855 -0.547 -14.788 1.00 0.00 C HETATM 236 H11 LNK A 17 -4.288 -1.112 -11.095 1.00 0.00 H HETATM 237 H12 LNK A 17 -5.686 -2.024 -11.669 1.00 0.00 H HETATM 238 H21 LNK A 17 -4.290 -2.758 -13.674 1.00 0.00 H HETATM 239 H22 LNK A 17 -4.709 -1.039 -13.589 1.00 0.00 H HETATM 240 H31 LNK A 17 -2.482 -0.537 -12.614 1.00 0.00 H HETATM 241 H32 LNK A 17 -2.016 -2.240 -12.799 1.00 0.00 H HETATM 242 H41 LNK A 17 -2.972 -0.508 -15.130 1.00 0.00 H HETATM 243 H42 LNK A 17 -2.256 -2.126 -15.208 1.00 0.00 H HETATM 244 H51 LNK A 17 -0.126 -1.167 -14.273 1.00 0.00 H HETATM 245 H52 LNK A 17 -0.584 -0.487 -15.843 1.00 0.00 H ENDMDL MODEL 16 HETATM 1 C ACE A 3 1.643 11.610 -8.393 1.00 0.00 C HETATM 2 O ACE A 3 1.526 11.761 -7.178 1.00 0.00 O HETATM 3 CH3 ACE A 3 2.290 12.698 -9.242 1.00 0.00 C HETATM 4 1H ACE A 3 1.569 13.070 -9.970 1.00 0.00 H HETATM 5 2H ACE A 3 2.613 13.523 -8.606 1.00 0.00 H HETATM 6 3H ACE A 3 3.155 12.291 -9.765 1.00 0.00 H ATOM 7 N ARG A 4 1.224 10.518 -9.044 1.00 0.00 N ATOM 8 CA ARG A 4 0.563 9.382 -8.414 1.00 0.00 C ATOM 9 C ARG A 4 1.236 8.082 -8.873 1.00 0.00 C ATOM 10 O ARG A 4 0.682 7.378 -9.717 1.00 0.00 O ATOM 11 CB ARG A 4 -0.935 9.403 -8.766 1.00 0.00 C ATOM 12 CG ARG A 4 -1.641 10.629 -8.173 1.00 0.00 C ATOM 13 CD ARG A 4 -3.147 10.570 -8.447 1.00 0.00 C ATOM 14 NE ARG A 4 -3.832 11.736 -7.878 1.00 0.00 N ATOM 15 CZ ARG A 4 -5.148 11.985 -7.995 1.00 0.00 C ATOM 16 NH1 ARG A 4 -5.945 11.155 -8.683 1.00 0.00 N ATOM 17 NH2 ARG A 4 -5.670 13.075 -7.417 1.00 0.00 N ATOM 18 H ARG A 4 1.362 10.473 -10.044 1.00 0.00 H ATOM 19 HA ARG A 4 0.633 9.438 -7.327 1.00 0.00 H ATOM 20 1HB ARG A 4 -1.061 9.403 -9.850 1.00 0.00 H ATOM 21 2HB ARG A 4 -1.404 8.507 -8.359 1.00 0.00 H ATOM 22 1HG ARG A 4 -1.475 10.655 -7.095 1.00 0.00 H ATOM 23 2HG ARG A 4 -1.240 11.540 -8.618 1.00 0.00 H ATOM 24 1HD ARG A 4 -3.312 10.545 -9.526 1.00 0.00 H ATOM 25 2HD ARG A 4 -3.557 9.663 -8.000 1.00 0.00 H ATOM 26 HE ARG A 4 -3.263 12.387 -7.355 1.00 0.00 H ATOM 27 1HH1 ARG A 4 -5.559 10.332 -9.122 1.00 0.00 H ATOM 28 2HH1 ARG A 4 -6.932 11.351 -8.766 1.00 0.00 H ATOM 29 1HH2 ARG A 4 -5.079 13.705 -6.895 1.00 0.00 H ATOM 30 2HH2 ARG A 4 -6.658 13.269 -7.501 1.00 0.00 H ATOM 31 N PRO A 5 2.420 7.739 -8.331 1.00 0.00 N ATOM 32 CA PRO A 5 3.171 6.546 -8.707 1.00 0.00 C ATOM 33 C PRO A 5 2.616 5.312 -7.983 1.00 0.00 C ATOM 34 O PRO A 5 3.328 4.648 -7.233 1.00 0.00 O ATOM 35 CB PRO A 5 4.616 6.867 -8.311 1.00 0.00 C ATOM 36 CG PRO A 5 4.432 7.716 -7.054 1.00 0.00 C ATOM 37 CD PRO A 5 3.184 8.537 -7.382 1.00 0.00 C ATOM 38 HA PRO A 5 3.128 6.376 -9.784 1.00 0.00 H ATOM 39 1HB PRO A 5 5.236 5.987 -8.138 1.00 0.00 H ATOM 40 2HB PRO A 5 5.069 7.483 -9.089 1.00 0.00 H ATOM 41 1HG PRO A 5 4.231 7.068 -6.200 1.00 0.00 H ATOM 42 2HG PRO A 5 5.300 8.346 -6.849 1.00 0.00 H ATOM 43 1HD PRO A 5 2.623 8.740 -6.470 1.00 0.00 H ATOM 44 2HD PRO A 5 3.489 9.471 -7.853 1.00 0.00 H ATOM 45 N LEU A 6 1.330 5.017 -8.202 1.00 0.00 N ATOM 46 CA LEU A 6 0.644 3.857 -7.649 1.00 0.00 C ATOM 47 C LEU A 6 0.743 2.667 -8.602 1.00 0.00 C ATOM 48 O LEU A 6 1.001 1.552 -8.157 1.00 0.00 O ATOM 49 CB LEU A 6 -0.833 4.190 -7.379 1.00 0.00 C ATOM 50 CG LEU A 6 -1.115 4.926 -6.057 1.00 0.00 C ATOM 51 CD1 LEU A 6 -0.890 4.022 -4.837 1.00 0.00 C ATOM 52 CD2 LEU A 6 -0.320 6.228 -5.908 1.00 0.00 C ATOM 53 H LEU A 6 0.803 5.619 -8.821 1.00 0.00 H ATOM 54 HA LEU A 6 1.114 3.558 -6.713 1.00 0.00 H ATOM 55 1HB LEU A 6 -1.221 4.783 -8.208 1.00 0.00 H ATOM 56 2HB LEU A 6 -1.399 3.257 -7.351 1.00 0.00 H ATOM 57 HG LEU A 6 -2.174 5.189 -6.070 1.00 0.00 H ATOM 58 1HD1 LEU A 6 -1.444 3.090 -4.955 1.00 0.00 H ATOM 59 2HD1 LEU A 6 0.167 3.794 -4.706 1.00 0.00 H ATOM 60 3HD1 LEU A 6 -1.248 4.530 -3.942 1.00 0.00 H ATOM 61 1HD2 LEU A 6 -0.463 6.851 -6.790 1.00 0.00 H ATOM 62 2HD2 LEU A 6 -0.676 6.770 -5.032 1.00 0.00 H ATOM 63 3HD2 LEU A 6 0.742 6.018 -5.778 1.00 0.00 H ATOM 64 N GLN A 7 0.499 2.896 -9.900 1.00 0.00 N ATOM 65 CA GLN A 7 0.330 1.832 -10.881 1.00 0.00 C ATOM 66 C GLN A 7 1.493 0.846 -10.985 1.00 0.00 C ATOM 67 O GLN A 7 1.234 -0.330 -11.217 1.00 0.00 O ATOM 68 CB GLN A 7 -0.035 2.395 -12.257 1.00 0.00 C ATOM 69 CG GLN A 7 -1.460 2.966 -12.264 1.00 0.00 C ATOM 70 CD GLN A 7 -2.067 2.919 -13.663 1.00 0.00 C ATOM 71 OE1 GLN A 7 -2.277 3.959 -14.283 1.00 0.00 O ATOM 72 NE2 GLN A 7 -2.341 1.698 -14.145 1.00 0.00 N ATOM 73 H GLN A 7 0.306 3.840 -10.198 1.00 0.00 H ATOM 74 HA GLN A 7 -0.519 1.236 -10.545 1.00 0.00 H ATOM 75 1HB GLN A 7 0.681 3.157 -12.567 1.00 0.00 H ATOM 76 2HB GLN A 7 0.018 1.569 -12.969 1.00 0.00 H ATOM 77 1HG GLN A 7 -2.108 2.380 -11.611 1.00 0.00 H ATOM 78 2HG GLN A 7 -1.442 3.993 -11.896 1.00 0.00 H ATOM 79 1HE2 GLN A 7 -2.136 0.897 -13.567 1.00 0.00 H ATOM 80 N TRP A 8 2.751 1.274 -10.822 1.00 0.00 N ATOM 81 CA TRP A 8 3.869 0.331 -10.832 1.00 0.00 C ATOM 82 C TRP A 8 3.719 -0.678 -9.685 1.00 0.00 C ATOM 83 O TRP A 8 3.932 -1.875 -9.870 1.00 0.00 O ATOM 84 CB TRP A 8 5.214 1.070 -10.755 1.00 0.00 C ATOM 85 CG TRP A 8 5.575 1.619 -9.409 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.257 2.849 -8.954 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.215 0.934 -8.288 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.640 2.976 -7.635 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.222 1.815 -7.168 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.741 -0.363 -8.088 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.723 1.431 -5.915 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.251 -0.756 -6.836 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.242 0.137 -5.750 1.00 0.00 C ATOM 94 H TRP A 8 2.935 2.250 -10.638 1.00 0.00 H ATOM 95 HA TRP A 8 3.847 -0.209 -11.780 1.00 0.00 H ATOM 96 1HB TRP A 8 5.996 0.363 -11.036 1.00 0.00 H ATOM 97 2HB TRP A 8 5.222 1.877 -11.488 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.734 3.604 -9.522 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.474 3.790 -7.059 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.737 -1.072 -8.903 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.689 2.116 -5.081 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.647 -1.752 -6.706 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.623 -0.175 -4.789 1.00 0.00 H ATOM 104 N LEU A 9 3.339 -0.173 -8.505 1.00 0.00 N ATOM 105 CA LEU A 9 3.192 -0.934 -7.277 1.00 0.00 C ATOM 106 C LEU A 9 2.002 -1.878 -7.434 1.00 0.00 C ATOM 107 O LEU A 9 2.128 -3.079 -7.213 1.00 0.00 O ATOM 108 CB LEU A 9 3.027 0.053 -6.105 1.00 0.00 C ATOM 109 CG LEU A 9 3.601 -0.448 -4.771 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.689 0.725 -3.788 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.734 -1.544 -4.148 1.00 0.00 C ATOM 112 H LEU A 9 3.134 0.814 -8.455 1.00 0.00 H ATOM 113 HA LEU A 9 4.105 -1.514 -7.127 1.00 0.00 H ATOM 114 1HB LEU A 9 3.573 0.964 -6.354 1.00 0.00 H ATOM 115 2HB LEU A 9 1.978 0.323 -5.976 1.00 0.00 H ATOM 116 HG LEU A 9 4.608 -0.837 -4.929 1.00 0.00 H ATOM 117 1HD1 LEU A 9 2.697 1.143 -3.616 1.00 0.00 H ATOM 118 2HD1 LEU A 9 4.104 0.384 -2.839 1.00 0.00 H ATOM 119 3HD1 LEU A 9 4.336 1.504 -4.191 1.00 0.00 H ATOM 120 1HD2 LEU A 9 1.721 -1.173 -4.001 1.00 0.00 H ATOM 121 2HD2 LEU A 9 2.709 -2.414 -4.796 1.00 0.00 H ATOM 122 3HD2 LEU A 9 3.155 -1.838 -3.186 1.00 0.00 H ATOM 123 N ALA A 10 0.855 -1.338 -7.862 1.00 0.00 N ATOM 124 CA ALA A 10 -0.354 -2.108 -8.091 1.00 0.00 C ATOM 125 C ALA A 10 -0.120 -3.228 -9.104 1.00 0.00 C ATOM 126 O ALA A 10 -0.467 -4.373 -8.835 1.00 0.00 O ATOM 127 CB ALA A 10 -1.487 -1.183 -8.538 1.00 0.00 C ATOM 128 H ALA A 10 0.825 -0.343 -8.038 1.00 0.00 H ATOM 129 HA ALA A 10 -0.636 -2.563 -7.144 1.00 0.00 H ATOM 130 1HB ALA A 10 -1.644 -0.401 -7.794 1.00 0.00 H ATOM 131 2HB ALA A 10 -1.239 -0.724 -9.495 1.00 0.00 H ATOM 132 3HB ALA A 10 -2.405 -1.760 -8.648 1.00 0.00 H ATOM 133 N GLU A 11 0.476 -2.902 -10.255 1.00 0.00 N ATOM 134 CA GLU A 11 0.758 -3.855 -11.318 1.00 0.00 C ATOM 135 C GLU A 11 1.644 -4.994 -10.804 1.00 0.00 C ATOM 136 O GLU A 11 1.333 -6.163 -11.021 1.00 0.00 O ATOM 137 CB GLU A 11 1.394 -3.125 -12.511 1.00 0.00 C ATOM 138 CG GLU A 11 1.614 -4.031 -13.730 1.00 0.00 C ATOM 139 CD GLU A 11 0.296 -4.486 -14.353 1.00 0.00 C ATOM 140 OE1 GLU A 11 -0.207 -3.742 -15.222 1.00 0.00 O ATOM 141 OE2 GLU A 11 -0.185 -5.569 -13.955 1.00 0.00 O ATOM 142 H GLU A 11 0.749 -1.941 -10.403 1.00 0.00 H ATOM 143 HA GLU A 11 -0.199 -4.260 -11.640 1.00 0.00 H ATOM 144 1HB GLU A 11 0.743 -2.305 -12.817 1.00 0.00 H ATOM 145 2HB GLU A 11 2.355 -2.708 -12.207 1.00 0.00 H ATOM 146 1HG GLU A 11 2.171 -3.467 -14.479 1.00 0.00 H ATOM 147 2HG GLU A 11 2.210 -4.901 -13.453 1.00 0.00 H ATOM 148 N LYS A 12 2.744 -4.649 -10.123 1.00 0.00 N ATOM 149 CA LYS A 12 3.710 -5.611 -9.611 1.00 0.00 C ATOM 150 C LYS A 12 3.091 -6.523 -8.545 1.00 0.00 C ATOM 151 O LYS A 12 3.141 -7.744 -8.677 1.00 0.00 O ATOM 152 CB LYS A 12 4.933 -4.850 -9.078 1.00 0.00 C ATOM 153 CG LYS A 12 5.983 -5.793 -8.478 1.00 0.00 C ATOM 154 CD LYS A 12 7.263 -5.018 -8.142 1.00 0.00 C ATOM 155 CE LYS A 12 8.349 -5.931 -7.561 1.00 0.00 C ATOM 156 NZ LYS A 12 7.967 -6.496 -6.256 1.00 0.00 N ATOM 157 H LYS A 12 2.943 -3.667 -9.980 1.00 0.00 H ATOM 158 HA LYS A 12 4.043 -6.233 -10.443 1.00 0.00 H ATOM 159 1HB LYS A 12 5.382 -4.304 -9.908 1.00 0.00 H ATOM 160 2HB LYS A 12 4.622 -4.130 -8.322 1.00 0.00 H ATOM 161 1HG LYS A 12 5.585 -6.249 -7.571 1.00 0.00 H ATOM 162 2HG LYS A 12 6.217 -6.577 -9.200 1.00 0.00 H ATOM 163 1HD LYS A 12 7.649 -4.566 -9.057 1.00 0.00 H ATOM 164 2HD LYS A 12 7.034 -4.223 -7.432 1.00 0.00 H ATOM 165 1HE LYS A 12 8.553 -6.746 -8.257 1.00 0.00 H ATOM 166 2HE LYS A 12 9.261 -5.349 -7.428 1.00 0.00 H ATOM 167 1HZ LYS A 12 7.121 -7.039 -6.352 1.00 0.00 H ATOM 168 2HZ LYS A 12 8.709 -7.093 -5.919 1.00 0.00 H ATOM 169 3HZ LYS A 12 7.815 -5.748 -5.595 1.00 0.00 H ATOM 170 N TYR A 13 2.551 -5.931 -7.474 1.00 0.00 N ATOM 171 CA TYR A 13 2.112 -6.651 -6.287 1.00 0.00 C ATOM 172 C TYR A 13 0.670 -7.143 -6.422 1.00 0.00 C ATOM 173 O TYR A 13 0.418 -8.344 -6.342 1.00 0.00 O ATOM 174 CB TYR A 13 2.251 -5.751 -5.048 1.00 0.00 C ATOM 175 CG TYR A 13 3.676 -5.523 -4.573 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.490 -4.548 -5.181 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.164 -6.240 -3.465 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.773 -4.280 -4.675 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.459 -5.993 -2.977 1.00 0.00 C ATOM 180 CZ TYR A 13 6.261 -5.007 -3.576 1.00 0.00 C ATOM 181 OH TYR A 13 7.512 -4.760 -3.093 1.00 0.00 O ATOM 182 H TYR A 13 2.517 -4.922 -7.447 1.00 0.00 H ATOM 183 HA TYR A 13 2.752 -7.521 -6.129 1.00 0.00 H ATOM 184 1HB TYR A 13 1.777 -4.787 -5.236 1.00 0.00 H ATOM 185 2HB TYR A 13 1.701 -6.222 -4.232 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.132 -3.985 -6.025 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.539 -6.972 -2.974 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.380 -3.512 -5.131 1.00 0.00 H ATOM 189 HE2 TYR A 13 5.832 -6.553 -2.132 1.00 0.00 H ATOM 190 HH TYR A 13 7.962 -4.046 -3.551 1.00 0.00 H ATOM 191 N PHE A 14 -0.278 -6.213 -6.580 1.00 0.00 N ATOM 192 CA PHE A 14 -1.703 -6.502 -6.486 1.00 0.00 C ATOM 193 C PHE A 14 -2.217 -7.286 -7.696 1.00 0.00 C ATOM 194 O PHE A 14 -2.917 -8.282 -7.518 1.00 0.00 O ATOM 195 CB PHE A 14 -2.500 -5.208 -6.251 1.00 0.00 C ATOM 196 CG PHE A 14 -2.002 -4.287 -5.140 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.189 -4.764 -4.091 1.00 0.00 C ATOM 198 CD2 PHE A 14 -2.318 -2.915 -5.195 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.601 -3.864 -3.184 1.00 0.00 C ATOM 200 CE2 PHE A 14 -1.730 -2.014 -4.289 1.00 0.00 C ATOM 201 CZ PHE A 14 -0.868 -2.488 -3.287 1.00 0.00 C ATOM 202 H PHE A 14 -0.003 -5.246 -6.682 1.00 0.00 H ATOM 203 HA PHE A 14 -1.861 -7.137 -5.613 1.00 0.00 H ATOM 204 1HB PHE A 14 -2.503 -4.640 -7.181 1.00 0.00 H ATOM 205 2HB PHE A 14 -3.532 -5.481 -6.027 1.00 0.00 H ATOM 206 HD1 PHE A 14 -0.986 -5.817 -3.976 1.00 0.00 H ATOM 207 HD2 PHE A 14 -2.980 -2.541 -5.962 1.00 0.00 H ATOM 208 HE1 PHE A 14 0.060 -4.233 -2.411 1.00 0.00 H ATOM 209 HE2 PHE A 14 -1.932 -0.955 -4.372 1.00 0.00 H ATOM 210 HZ PHE A 14 -0.417 -1.796 -2.590 1.00 0.00 H ATOM 211 N GLN A 15 -1.869 -6.859 -8.917 1.00 0.00 N ATOM 212 CA GLN A 15 -2.248 -7.549 -10.143 1.00 0.00 C ATOM 213 C GLN A 15 -1.285 -8.714 -10.398 1.00 0.00 C ATOM 214 O GLN A 15 -0.567 -8.737 -11.395 1.00 0.00 O ATOM 215 CB GLN A 15 -2.287 -6.570 -11.327 1.00 0.00 C ATOM 216 CG GLN A 15 -3.211 -5.369 -11.083 1.00 0.00 C ATOM 217 CD GLN A 15 -3.636 -4.728 -12.404 1.00 0.00 C ATOM 218 OE1 GLN A 15 -4.539 -5.246 -13.060 1.00 0.00 O ATOM 219 NE2 GLN A 15 -3.005 -3.616 -12.805 1.00 0.00 N ATOM 220 H GLN A 15 -1.276 -6.046 -9.000 1.00 0.00 H ATOM 221 HA GLN A 15 -3.254 -7.960 -10.035 1.00 0.00 H ATOM 222 1HB GLN A 15 -1.284 -6.212 -11.546 1.00 0.00 H ATOM 223 2HB GLN A 15 -2.650 -7.122 -12.196 1.00 0.00 H ATOM 224 1HG GLN A 15 -4.115 -5.715 -10.580 1.00 0.00 H ATOM 225 2HG GLN A 15 -2.718 -4.637 -10.443 1.00 0.00 H ATOM 226 1HE2 GLN A 15 -2.265 -3.223 -12.242 1.00 0.00 H HETATM 227 N NH2 A 16 -1.270 -9.694 -9.493 1.00 0.00 N HETATM 228 1HN NH2 A 16 -0.644 -10.477 -9.608 1.00 0.00 H HETATM 229 2HN NH2 A 16 -1.874 -9.633 -8.683 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -3.325 -2.993 -14.083 1.00 0.00 C HETATM 232 C2 LNK A 17 -2.670 -1.614 -14.238 1.00 0.00 C HETATM 233 C3 LNK A 17 -2.943 -1.129 -15.670 1.00 0.00 C HETATM 234 C4 LNK A 17 -2.244 0.177 -16.074 1.00 0.00 C HETATM 235 C5 LNK A 17 -2.863 1.448 -15.479 1.00 0.00 C HETATM 236 H11 LNK A 17 -4.406 -2.872 -14.170 1.00 0.00 H HETATM 237 H12 LNK A 17 -2.979 -3.655 -14.878 1.00 0.00 H HETATM 238 H21 LNK A 17 -3.102 -0.925 -13.512 1.00 0.00 H HETATM 239 H22 LNK A 17 -1.595 -1.692 -14.075 1.00 0.00 H HETATM 240 H31 LNK A 17 -2.585 -1.899 -16.355 1.00 0.00 H HETATM 241 H32 LNK A 17 -4.019 -1.021 -15.818 1.00 0.00 H HETATM 242 H41 LNK A 17 -2.343 0.258 -17.157 1.00 0.00 H HETATM 243 H42 LNK A 17 -1.180 0.126 -15.837 1.00 0.00 H HETATM 244 H51 LNK A 17 -2.598 2.279 -16.135 1.00 0.00 H HETATM 245 H52 LNK A 17 -3.950 1.366 -15.447 1.00 0.00 H ENDMDL MODEL 17 HETATM 1 C ACE A 3 1.392 10.729 -6.353 1.00 0.00 C HETATM 2 O ACE A 3 0.410 10.536 -7.067 1.00 0.00 O HETATM 3 CH3 ACE A 3 2.106 12.075 -6.374 1.00 0.00 C HETATM 4 1H ACE A 3 1.459 12.832 -6.820 1.00 0.00 H HETATM 5 2H ACE A 3 2.362 12.373 -5.356 1.00 0.00 H HETATM 6 3H ACE A 3 3.019 11.986 -6.963 1.00 0.00 H ATOM 7 N ARG A 4 1.904 9.808 -5.529 1.00 0.00 N ATOM 8 CA ARG A 4 1.401 8.448 -5.378 1.00 0.00 C ATOM 9 C ARG A 4 1.341 7.718 -6.729 1.00 0.00 C ATOM 10 O ARG A 4 0.251 7.394 -7.201 1.00 0.00 O ATOM 11 CB ARG A 4 0.043 8.450 -4.652 1.00 0.00 C ATOM 12 CG ARG A 4 0.118 9.158 -3.293 1.00 0.00 C ATOM 13 CD ARG A 4 -1.217 9.083 -2.544 1.00 0.00 C ATOM 14 NE ARG A 4 -1.524 7.715 -2.100 1.00 0.00 N ATOM 15 CZ ARG A 4 -2.678 7.344 -1.519 1.00 0.00 C ATOM 16 NH1 ARG A 4 -3.669 8.230 -1.344 1.00 0.00 N ATOM 17 NH2 ARG A 4 -2.839 6.078 -1.109 1.00 0.00 N ATOM 18 H ARG A 4 2.707 10.064 -4.973 1.00 0.00 H ATOM 19 HA ARG A 4 2.097 7.908 -4.735 1.00 0.00 H ATOM 20 1HB ARG A 4 -0.713 8.939 -5.270 1.00 0.00 H ATOM 21 2HB ARG A 4 -0.258 7.416 -4.487 1.00 0.00 H ATOM 22 1HG ARG A 4 0.901 8.707 -2.682 1.00 0.00 H ATOM 23 2HG ARG A 4 0.356 10.211 -3.448 1.00 0.00 H ATOM 24 1HD ARG A 4 -1.150 9.725 -1.665 1.00 0.00 H ATOM 25 2HD ARG A 4 -2.011 9.452 -3.195 1.00 0.00 H ATOM 26 HE ARG A 4 -0.801 7.020 -2.222 1.00 0.00 H ATOM 27 1HH1 ARG A 4 -3.550 9.184 -1.650 1.00 0.00 H ATOM 28 2HH1 ARG A 4 -4.534 7.948 -0.904 1.00 0.00 H ATOM 29 1HH2 ARG A 4 -2.087 5.412 -1.219 1.00 0.00 H ATOM 30 2HH2 ARG A 4 -3.707 5.786 -0.681 1.00 0.00 H ATOM 31 N PRO A 5 2.496 7.434 -7.359 1.00 0.00 N ATOM 32 CA PRO A 5 2.576 6.656 -8.586 1.00 0.00 C ATOM 33 C PRO A 5 2.397 5.172 -8.252 1.00 0.00 C ATOM 34 O PRO A 5 3.347 4.394 -8.292 1.00 0.00 O ATOM 35 CB PRO A 5 3.957 6.983 -9.161 1.00 0.00 C ATOM 36 CG PRO A 5 4.803 7.180 -7.902 1.00 0.00 C ATOM 37 CD PRO A 5 3.825 7.856 -6.940 1.00 0.00 C ATOM 38 HA PRO A 5 1.811 6.951 -9.306 1.00 0.00 H ATOM 39 1HB PRO A 5 4.349 6.208 -9.822 1.00 0.00 H ATOM 40 2HB PRO A 5 3.900 7.931 -9.697 1.00 0.00 H ATOM 41 1HG PRO A 5 5.097 6.210 -7.502 1.00 0.00 H ATOM 42 2HG PRO A 5 5.688 7.791 -8.089 1.00 0.00 H ATOM 43 1HD PRO A 5 4.046 7.560 -5.914 1.00 0.00 H ATOM 44 2HD PRO A 5 3.915 8.938 -7.046 1.00 0.00 H ATOM 45 N LEU A 6 1.160 4.784 -7.923 1.00 0.00 N ATOM 46 CA LEU A 6 0.811 3.424 -7.536 1.00 0.00 C ATOM 47 C LEU A 6 0.571 2.521 -8.753 1.00 0.00 C ATOM 48 O LEU A 6 0.114 1.396 -8.579 1.00 0.00 O ATOM 49 CB LEU A 6 -0.433 3.441 -6.631 1.00 0.00 C ATOM 50 CG LEU A 6 -0.310 4.308 -5.364 1.00 0.00 C ATOM 51 CD1 LEU A 6 -1.622 4.242 -4.572 1.00 0.00 C ATOM 52 CD2 LEU A 6 0.843 3.869 -4.455 1.00 0.00 C ATOM 53 H LEU A 6 0.430 5.484 -7.892 1.00 0.00 H ATOM 54 HA LEU A 6 1.638 2.993 -6.972 1.00 0.00 H ATOM 55 1HB LEU A 6 -1.273 3.815 -7.219 1.00 0.00 H ATOM 56 2HB LEU A 6 -0.659 2.419 -6.324 1.00 0.00 H ATOM 57 HG LEU A 6 -0.146 5.344 -5.655 1.00 0.00 H ATOM 58 1HD1 LEU A 6 -2.447 4.609 -5.183 1.00 0.00 H ATOM 59 2HD1 LEU A 6 -1.830 3.214 -4.275 1.00 0.00 H ATOM 60 3HD1 LEU A 6 -1.549 4.862 -3.678 1.00 0.00 H ATOM 61 1HD2 LEU A 6 0.732 2.817 -4.189 1.00 0.00 H ATOM 62 2HD2 LEU A 6 1.799 4.020 -4.955 1.00 0.00 H ATOM 63 3HD2 LEU A 6 0.839 4.467 -3.543 1.00 0.00 H ATOM 64 N GLN A 7 0.863 2.981 -9.977 1.00 0.00 N ATOM 65 CA GLN A 7 0.659 2.191 -11.185 1.00 0.00 C ATOM 66 C GLN A 7 1.589 0.980 -11.212 1.00 0.00 C ATOM 67 O GLN A 7 1.114 -0.155 -11.219 1.00 0.00 O ATOM 68 CB GLN A 7 0.844 3.067 -12.434 1.00 0.00 C ATOM 69 CG GLN A 7 -0.376 3.967 -12.688 1.00 0.00 C ATOM 70 CD GLN A 7 -1.667 3.162 -12.855 1.00 0.00 C ATOM 71 OE1 GLN A 7 -2.666 3.455 -12.202 1.00 0.00 O ATOM 72 NE2 GLN A 7 -1.624 2.113 -13.688 1.00 0.00 N ATOM 73 H GLN A 7 1.219 3.919 -10.082 1.00 0.00 H ATOM 74 HA GLN A 7 -0.355 1.792 -11.163 1.00 0.00 H ATOM 75 1HB GLN A 7 1.735 3.686 -12.323 1.00 0.00 H ATOM 76 2HB GLN A 7 0.993 2.422 -13.301 1.00 0.00 H ATOM 77 1HG GLN A 7 -0.492 4.651 -11.846 1.00 0.00 H ATOM 78 2HG GLN A 7 -0.205 4.560 -13.588 1.00 0.00 H ATOM 79 1HE2 GLN A 7 -0.777 1.922 -14.201 1.00 0.00 H ATOM 80 N TRP A 8 2.906 1.219 -11.214 1.00 0.00 N ATOM 81 CA TRP A 8 3.904 0.155 -11.185 1.00 0.00 C ATOM 82 C TRP A 8 3.706 -0.726 -9.945 1.00 0.00 C ATOM 83 O TRP A 8 3.854 -1.944 -10.011 1.00 0.00 O ATOM 84 CB TRP A 8 5.318 0.761 -11.216 1.00 0.00 C ATOM 85 CG TRP A 8 5.756 1.444 -9.955 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.600 2.756 -9.670 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.328 0.841 -8.755 1.00 0.00 C ATOM 88 NE1 TRP A 8 6.013 3.007 -8.377 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.453 1.853 -7.759 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.707 -0.470 -8.391 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.924 1.575 -6.467 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.157 -0.762 -7.090 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.277 0.259 -6.133 1.00 0.00 C ATOM 94 H TRP A 8 3.229 2.176 -11.185 1.00 0.00 H ATOM 95 HA TRP A 8 3.780 -0.454 -12.082 1.00 0.00 H ATOM 96 1HB TRP A 8 6.026 -0.047 -11.405 1.00 0.00 H ATOM 97 2HB TRP A 8 5.389 1.464 -12.047 1.00 0.00 H ATOM 98 HD1 TRP A 8 5.170 3.489 -10.337 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.972 3.903 -7.913 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.622 -1.268 -9.114 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.980 2.357 -5.726 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.386 -1.781 -6.814 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.623 0.024 -5.137 1.00 0.00 H ATOM 104 N LEU A 9 3.372 -0.086 -8.817 1.00 0.00 N ATOM 105 CA LEU A 9 3.252 -0.693 -7.502 1.00 0.00 C ATOM 106 C LEU A 9 2.102 -1.701 -7.503 1.00 0.00 C ATOM 107 O LEU A 9 2.277 -2.852 -7.105 1.00 0.00 O ATOM 108 CB LEU A 9 3.081 0.441 -6.467 1.00 0.00 C ATOM 109 CG LEU A 9 3.640 0.111 -5.074 1.00 0.00 C ATOM 110 CD1 LEU A 9 4.014 1.392 -4.319 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.609 -0.628 -4.227 1.00 0.00 C ATOM 112 H LEU A 9 3.256 0.915 -8.869 1.00 0.00 H ATOM 113 HA LEU A 9 4.178 -1.231 -7.300 1.00 0.00 H ATOM 114 1HB LEU A 9 3.640 1.304 -6.827 1.00 0.00 H ATOM 115 2HB LEU A 9 2.032 0.734 -6.385 1.00 0.00 H ATOM 116 HG LEU A 9 4.537 -0.500 -5.172 1.00 0.00 H ATOM 117 1HD1 LEU A 9 3.139 2.027 -4.191 1.00 0.00 H ATOM 118 2HD1 LEU A 9 4.410 1.132 -3.337 1.00 0.00 H ATOM 119 3HD1 LEU A 9 4.769 1.948 -4.868 1.00 0.00 H ATOM 120 1HD2 LEU A 9 2.181 -1.446 -4.796 1.00 0.00 H ATOM 121 2HD2 LEU A 9 3.100 -1.009 -3.331 1.00 0.00 H ATOM 122 3HD2 LEU A 9 1.812 0.058 -3.946 1.00 0.00 H ATOM 123 N ALA A 10 0.934 -1.267 -7.987 1.00 0.00 N ATOM 124 CA ALA A 10 -0.254 -2.094 -8.085 1.00 0.00 C ATOM 125 C ALA A 10 -0.056 -3.217 -9.095 1.00 0.00 C ATOM 126 O ALA A 10 -0.397 -4.362 -8.805 1.00 0.00 O ATOM 127 CB ALA A 10 -1.464 -1.234 -8.459 1.00 0.00 C ATOM 128 H ALA A 10 0.870 -0.315 -8.322 1.00 0.00 H ATOM 129 HA ALA A 10 -0.425 -2.538 -7.108 1.00 0.00 H ATOM 130 1HB ALA A 10 -1.608 -0.453 -7.711 1.00 0.00 H ATOM 131 2HB ALA A 10 -1.305 -0.776 -9.436 1.00 0.00 H ATOM 132 3HB ALA A 10 -2.359 -1.855 -8.502 1.00 0.00 H ATOM 133 N GLU A 11 0.501 -2.893 -10.268 1.00 0.00 N ATOM 134 CA GLU A 11 0.785 -3.867 -11.312 1.00 0.00 C ATOM 135 C GLU A 11 1.657 -4.999 -10.763 1.00 0.00 C ATOM 136 O GLU A 11 1.386 -6.169 -11.022 1.00 0.00 O ATOM 137 CB GLU A 11 1.449 -3.167 -12.509 1.00 0.00 C ATOM 138 CG GLU A 11 1.666 -4.096 -13.713 1.00 0.00 C ATOM 139 CD GLU A 11 0.355 -4.646 -14.270 1.00 0.00 C ATOM 140 OE1 GLU A 11 0.012 -5.793 -13.903 1.00 0.00 O ATOM 141 OE2 GLU A 11 -0.283 -3.911 -15.052 1.00 0.00 O ATOM 142 H GLU A 11 0.758 -1.929 -10.440 1.00 0.00 H ATOM 143 HA GLU A 11 -0.171 -4.273 -11.638 1.00 0.00 H ATOM 144 1HB GLU A 11 0.819 -2.339 -12.833 1.00 0.00 H ATOM 145 2HB GLU A 11 2.415 -2.767 -12.199 1.00 0.00 H ATOM 146 1HG GLU A 11 2.155 -3.523 -14.502 1.00 0.00 H ATOM 147 2HG GLU A 11 2.323 -4.923 -13.441 1.00 0.00 H ATOM 148 N LYS A 12 2.695 -4.643 -9.996 1.00 0.00 N ATOM 149 CA LYS A 12 3.662 -5.584 -9.457 1.00 0.00 C ATOM 150 C LYS A 12 3.029 -6.501 -8.406 1.00 0.00 C ATOM 151 O LYS A 12 3.080 -7.721 -8.554 1.00 0.00 O ATOM 152 CB LYS A 12 4.857 -4.805 -8.889 1.00 0.00 C ATOM 153 CG LYS A 12 5.982 -5.730 -8.414 1.00 0.00 C ATOM 154 CD LYS A 12 7.140 -4.884 -7.877 1.00 0.00 C ATOM 155 CE LYS A 12 8.273 -5.793 -7.394 1.00 0.00 C ATOM 156 NZ LYS A 12 9.394 -5.006 -6.856 1.00 0.00 N ATOM 157 H LYS A 12 2.852 -3.659 -9.816 1.00 0.00 H ATOM 158 HA LYS A 12 4.026 -6.197 -10.284 1.00 0.00 H ATOM 159 1HB LYS A 12 5.256 -4.159 -9.672 1.00 0.00 H ATOM 160 2HB LYS A 12 4.530 -4.183 -8.055 1.00 0.00 H ATOM 161 1HG LYS A 12 5.620 -6.383 -7.619 1.00 0.00 H ATOM 162 2HG LYS A 12 6.334 -6.341 -9.247 1.00 0.00 H ATOM 163 1HD LYS A 12 7.512 -4.229 -8.666 1.00 0.00 H ATOM 164 2HD LYS A 12 6.781 -4.268 -7.053 1.00 0.00 H ATOM 165 1HE LYS A 12 7.905 -6.459 -6.613 1.00 0.00 H ATOM 166 2HE LYS A 12 8.635 -6.394 -8.229 1.00 0.00 H ATOM 167 1HZ LYS A 12 9.727 -4.369 -7.565 1.00 0.00 H ATOM 168 2HZ LYS A 12 9.080 -4.484 -6.049 1.00 0.00 H ATOM 169 3HZ LYS A 12 10.142 -5.629 -6.585 1.00 0.00 H ATOM 170 N TYR A 13 2.478 -5.922 -7.330 1.00 0.00 N ATOM 171 CA TYR A 13 2.037 -6.680 -6.163 1.00 0.00 C ATOM 172 C TYR A 13 0.580 -7.118 -6.288 1.00 0.00 C ATOM 173 O TYR A 13 0.289 -8.312 -6.225 1.00 0.00 O ATOM 174 CB TYR A 13 2.254 -5.861 -4.885 1.00 0.00 C ATOM 175 CG TYR A 13 3.688 -5.420 -4.670 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.712 -6.375 -4.534 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.001 -4.053 -4.605 1.00 0.00 C ATOM 178 CE1 TYR A 13 6.047 -5.958 -4.388 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.332 -3.633 -4.449 1.00 0.00 C ATOM 180 CZ TYR A 13 6.358 -4.588 -4.362 1.00 0.00 C ATOM 181 OH TYR A 13 7.656 -4.181 -4.262 1.00 0.00 O ATOM 182 H TYR A 13 2.460 -4.912 -7.272 1.00 0.00 H ATOM 183 HA TYR A 13 2.644 -7.581 -6.071 1.00 0.00 H ATOM 184 1HB TYR A 13 1.608 -4.982 -4.911 1.00 0.00 H ATOM 185 2HB TYR A 13 1.960 -6.467 -4.026 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.474 -7.429 -4.543 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.214 -3.325 -4.668 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.830 -6.695 -4.298 1.00 0.00 H ATOM 189 HE2 TYR A 13 5.560 -2.579 -4.395 1.00 0.00 H ATOM 190 HH TYR A 13 7.746 -3.225 -4.261 1.00 0.00 H ATOM 191 N PHE A 14 -0.340 -6.158 -6.436 1.00 0.00 N ATOM 192 CA PHE A 14 -1.773 -6.417 -6.354 1.00 0.00 C ATOM 193 C PHE A 14 -2.239 -7.232 -7.564 1.00 0.00 C ATOM 194 O PHE A 14 -3.056 -8.137 -7.409 1.00 0.00 O ATOM 195 CB PHE A 14 -2.548 -5.098 -6.188 1.00 0.00 C ATOM 196 CG PHE A 14 -2.037 -4.148 -5.109 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.325 -4.626 -3.988 1.00 0.00 C ATOM 198 CD2 PHE A 14 -2.217 -2.760 -5.265 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.728 -3.725 -3.089 1.00 0.00 C ATOM 200 CE2 PHE A 14 -1.575 -1.859 -4.395 1.00 0.00 C ATOM 201 CZ PHE A 14 -0.835 -2.342 -3.304 1.00 0.00 C ATOM 202 H PHE A 14 -0.042 -5.198 -6.529 1.00 0.00 H ATOM 203 HA PHE A 14 -1.964 -7.026 -5.469 1.00 0.00 H ATOM 204 1HB PHE A 14 -2.528 -4.572 -7.144 1.00 0.00 H ATOM 205 2HB PHE A 14 -3.588 -5.340 -5.961 1.00 0.00 H ATOM 206 HD1 PHE A 14 -1.208 -5.684 -3.809 1.00 0.00 H ATOM 207 HD2 PHE A 14 -2.810 -2.377 -6.082 1.00 0.00 H ATOM 208 HE1 PHE A 14 -0.179 -4.098 -2.236 1.00 0.00 H ATOM 209 HE2 PHE A 14 -1.643 -0.794 -4.569 1.00 0.00 H ATOM 210 HZ PHE A 14 -0.365 -1.654 -2.616 1.00 0.00 H ATOM 211 N GLN A 15 -1.676 -6.944 -8.746 1.00 0.00 N ATOM 212 CA GLN A 15 -1.828 -7.754 -9.950 1.00 0.00 C ATOM 213 C GLN A 15 -0.528 -8.519 -10.231 1.00 0.00 C ATOM 214 O GLN A 15 -0.182 -8.758 -11.386 1.00 0.00 O ATOM 215 CB GLN A 15 -2.214 -6.863 -11.139 1.00 0.00 C ATOM 216 CG GLN A 15 -3.558 -6.163 -10.920 1.00 0.00 C ATOM 217 CD GLN A 15 -3.972 -5.376 -12.159 1.00 0.00 C ATOM 218 OE1 GLN A 15 -4.845 -5.814 -12.906 1.00 0.00 O ATOM 219 NE2 GLN A 15 -3.342 -4.215 -12.376 1.00 0.00 N ATOM 220 H GLN A 15 -1.024 -6.171 -8.789 1.00 0.00 H ATOM 221 HA GLN A 15 -2.619 -8.493 -9.819 1.00 0.00 H ATOM 222 1HB GLN A 15 -1.436 -6.120 -11.306 1.00 0.00 H ATOM 223 2HB GLN A 15 -2.302 -7.481 -12.034 1.00 0.00 H ATOM 224 1HG GLN A 15 -4.315 -6.921 -10.716 1.00 0.00 H ATOM 225 2HG GLN A 15 -3.499 -5.488 -10.066 1.00 0.00 H ATOM 226 1HE2 GLN A 15 -2.636 -3.914 -11.721 1.00 0.00 H HETATM 227 N NH2 A 16 0.204 -8.916 -9.186 1.00 0.00 N HETATM 228 1HN NH2 A 16 -0.081 -8.700 -8.241 1.00 0.00 H HETATM 229 2HN NH2 A 16 1.073 -9.403 -9.350 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -3.602 -3.382 -13.540 1.00 0.00 C HETATM 232 C2 LNK A 17 -2.819 -2.072 -13.450 1.00 0.00 C HETATM 233 C3 LNK A 17 -3.082 -1.237 -14.711 1.00 0.00 C HETATM 234 C4 LNK A 17 -2.215 0.024 -14.766 1.00 0.00 C HETATM 235 C5 LNK A 17 -2.660 1.101 -13.770 1.00 0.00 C HETATM 236 H11 LNK A 17 -4.666 -3.150 -13.602 1.00 0.00 H HETATM 237 H12 LNK A 17 -3.293 -3.917 -14.438 1.00 0.00 H HETATM 238 H21 LNK A 17 -3.136 -1.532 -12.557 1.00 0.00 H HETATM 239 H22 LNK A 17 -1.755 -2.297 -13.375 1.00 0.00 H HETATM 240 H31 LNK A 17 -2.834 -1.846 -15.582 1.00 0.00 H HETATM 241 H32 LNK A 17 -4.137 -0.963 -14.766 1.00 0.00 H HETATM 242 H41 LNK A 17 -2.271 0.446 -15.771 1.00 0.00 H HETATM 243 H42 LNK A 17 -1.179 -0.259 -14.571 1.00 0.00 H HETATM 244 H51 LNK A 17 -3.600 1.547 -14.097 1.00 0.00 H HETATM 245 H52 LNK A 17 -2.792 0.670 -12.779 1.00 0.00 H ENDMDL MODEL 18 HETATM 1 C ACE A 3 1.741 11.186 -6.183 1.00 0.00 C HETATM 2 O ACE A 3 2.444 10.936 -5.207 1.00 0.00 O HETATM 3 CH3 ACE A 3 1.864 12.530 -6.892 1.00 0.00 C HETATM 4 1H ACE A 3 2.099 12.363 -7.943 1.00 0.00 H HETATM 5 2H ACE A 3 0.926 13.078 -6.814 1.00 0.00 H HETATM 6 3H ACE A 3 2.662 13.118 -6.437 1.00 0.00 H ATOM 7 N ARG A 4 0.852 10.325 -6.696 1.00 0.00 N ATOM 8 CA ARG A 4 0.610 8.977 -6.196 1.00 0.00 C ATOM 9 C ARG A 4 0.905 7.969 -7.315 1.00 0.00 C ATOM 10 O ARG A 4 -0.028 7.501 -7.968 1.00 0.00 O ATOM 11 CB ARG A 4 -0.849 8.858 -5.720 1.00 0.00 C ATOM 12 CG ARG A 4 -1.236 9.843 -4.607 1.00 0.00 C ATOM 13 CD ARG A 4 -0.388 9.710 -3.338 1.00 0.00 C ATOM 14 NE ARG A 4 -0.433 8.350 -2.785 1.00 0.00 N ATOM 15 CZ ARG A 4 0.372 7.902 -1.807 1.00 0.00 C ATOM 16 NH1 ARG A 4 1.282 8.710 -1.247 1.00 0.00 N ATOM 17 NH2 ARG A 4 0.265 6.637 -1.380 1.00 0.00 N ATOM 18 H ARG A 4 0.316 10.617 -7.500 1.00 0.00 H ATOM 19 HA ARG A 4 1.252 8.743 -5.348 1.00 0.00 H ATOM 20 1HB ARG A 4 -1.520 9.039 -6.562 1.00 0.00 H ATOM 21 2HB ARG A 4 -1.021 7.842 -5.365 1.00 0.00 H ATOM 22 1HG ARG A 4 -1.155 10.864 -4.979 1.00 0.00 H ATOM 23 2HG ARG A 4 -2.279 9.661 -4.342 1.00 0.00 H ATOM 24 1HD ARG A 4 0.642 9.992 -3.557 1.00 0.00 H ATOM 25 2HD ARG A 4 -0.777 10.401 -2.589 1.00 0.00 H ATOM 26 HE ARG A 4 -1.136 7.729 -3.160 1.00 0.00 H ATOM 27 1HH1 ARG A 4 1.364 9.668 -1.555 1.00 0.00 H ATOM 28 2HH1 ARG A 4 1.876 8.370 -0.505 1.00 0.00 H ATOM 29 1HH2 ARG A 4 -0.426 6.022 -1.783 1.00 0.00 H ATOM 30 2HH2 ARG A 4 0.880 6.295 -0.655 1.00 0.00 H ATOM 31 N PRO A 5 2.181 7.621 -7.561 1.00 0.00 N ATOM 32 CA PRO A 5 2.562 6.693 -8.615 1.00 0.00 C ATOM 33 C PRO A 5 2.338 5.253 -8.141 1.00 0.00 C ATOM 34 O PRO A 5 3.288 4.521 -7.877 1.00 0.00 O ATOM 35 CB PRO A 5 4.034 7.011 -8.896 1.00 0.00 C ATOM 36 CG PRO A 5 4.557 7.413 -7.517 1.00 0.00 C ATOM 37 CD PRO A 5 3.367 8.159 -6.909 1.00 0.00 C ATOM 38 HA PRO A 5 1.984 6.867 -9.525 1.00 0.00 H ATOM 39 1HB PRO A 5 4.585 6.181 -9.339 1.00 0.00 H ATOM 40 2HB PRO A 5 4.088 7.878 -9.557 1.00 0.00 H ATOM 41 1HG PRO A 5 4.773 6.519 -6.930 1.00 0.00 H ATOM 42 2HG PRO A 5 5.448 8.039 -7.583 1.00 0.00 H ATOM 43 1HD PRO A 5 3.348 8.012 -5.829 1.00 0.00 H ATOM 44 2HD PRO A 5 3.462 9.219 -7.145 1.00 0.00 H ATOM 45 N LEU A 6 1.067 4.854 -8.025 1.00 0.00 N ATOM 46 CA LEU A 6 0.670 3.534 -7.552 1.00 0.00 C ATOM 47 C LEU A 6 0.535 2.522 -8.695 1.00 0.00 C ATOM 48 O LEU A 6 0.211 1.368 -8.427 1.00 0.00 O ATOM 49 CB LEU A 6 -0.652 3.637 -6.775 1.00 0.00 C ATOM 50 CG LEU A 6 -0.611 4.612 -5.585 1.00 0.00 C ATOM 51 CD1 LEU A 6 -1.994 4.658 -4.929 1.00 0.00 C ATOM 52 CD2 LEU A 6 0.432 4.200 -4.540 1.00 0.00 C ATOM 53 H LEU A 6 0.334 5.521 -8.231 1.00 0.00 H ATOM 54 HA LEU A 6 1.429 3.145 -6.875 1.00 0.00 H ATOM 55 1HB LEU A 6 -1.433 3.962 -7.465 1.00 0.00 H ATOM 56 2HB LEU A 6 -0.919 2.648 -6.399 1.00 0.00 H ATOM 57 HG LEU A 6 -0.374 5.615 -5.938 1.00 0.00 H ATOM 58 1HD1 LEU A 6 -2.275 3.663 -4.582 1.00 0.00 H ATOM 59 2HD1 LEU A 6 -1.979 5.342 -4.079 1.00 0.00 H ATOM 60 3HD1 LEU A 6 -2.732 5.009 -5.650 1.00 0.00 H ATOM 61 1HD2 LEU A 6 0.265 3.169 -4.229 1.00 0.00 H ATOM 62 2HD2 LEU A 6 1.439 4.299 -4.945 1.00 0.00 H ATOM 63 3HD2 LEU A 6 0.355 4.850 -3.669 1.00 0.00 H ATOM 64 N GLN A 7 0.753 2.922 -9.956 1.00 0.00 N ATOM 65 CA GLN A 7 0.514 2.053 -11.102 1.00 0.00 C ATOM 66 C GLN A 7 1.465 0.859 -11.097 1.00 0.00 C ATOM 67 O GLN A 7 1.007 -0.273 -10.981 1.00 0.00 O ATOM 68 CB GLN A 7 0.606 2.837 -12.418 1.00 0.00 C ATOM 69 CG GLN A 7 -0.455 3.940 -12.528 1.00 0.00 C ATOM 70 CD GLN A 7 -1.882 3.428 -12.326 1.00 0.00 C ATOM 71 OE1 GLN A 7 -2.601 3.944 -11.472 1.00 0.00 O ATOM 72 NE2 GLN A 7 -2.283 2.417 -13.108 1.00 0.00 N ATOM 73 H GLN A 7 1.028 3.876 -10.136 1.00 0.00 H ATOM 74 HA GLN A 7 -0.495 1.650 -11.008 1.00 0.00 H ATOM 75 1HB GLN A 7 1.593 3.294 -12.505 1.00 0.00 H ATOM 76 2HB GLN A 7 0.480 2.140 -13.248 1.00 0.00 H ATOM 77 1HG GLN A 7 -0.249 4.716 -11.790 1.00 0.00 H ATOM 78 2HG GLN A 7 -0.386 4.390 -13.519 1.00 0.00 H ATOM 79 1HE2 GLN A 7 -1.630 2.026 -13.771 1.00 0.00 H ATOM 80 N TRP A 8 2.776 1.107 -11.208 1.00 0.00 N ATOM 81 CA TRP A 8 3.805 0.071 -11.154 1.00 0.00 C ATOM 82 C TRP A 8 3.690 -0.755 -9.867 1.00 0.00 C ATOM 83 O TRP A 8 3.861 -1.973 -9.883 1.00 0.00 O ATOM 84 CB TRP A 8 5.194 0.718 -11.261 1.00 0.00 C ATOM 85 CG TRP A 8 5.596 1.578 -10.097 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.292 2.885 -9.942 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.271 1.181 -8.863 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.699 3.316 -8.697 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.279 2.295 -7.975 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.835 -0.021 -8.384 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.789 2.212 -6.671 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.378 -0.108 -7.089 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.343 1.001 -6.227 1.00 0.00 C ATOM 94 H TRP A 8 3.079 2.064 -11.311 1.00 0.00 H ATOM 95 HA TRP A 8 3.672 -0.587 -12.014 1.00 0.00 H ATOM 96 1HB TRP A 8 5.931 -0.081 -11.359 1.00 0.00 H ATOM 97 2HB TRP A 8 5.232 1.314 -12.174 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.756 3.490 -10.658 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.545 4.240 -8.317 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.845 -0.886 -9.026 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.732 3.063 -6.009 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.819 -1.034 -6.750 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.746 0.925 -5.228 1.00 0.00 H ATOM 104 N LEU A 9 3.403 -0.064 -8.758 1.00 0.00 N ATOM 105 CA LEU A 9 3.340 -0.592 -7.406 1.00 0.00 C ATOM 106 C LEU A 9 2.232 -1.646 -7.316 1.00 0.00 C ATOM 107 O LEU A 9 2.460 -2.761 -6.850 1.00 0.00 O ATOM 108 CB LEU A 9 3.136 0.605 -6.455 1.00 0.00 C ATOM 109 CG LEU A 9 3.790 0.439 -5.076 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.925 1.806 -4.393 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.954 -0.462 -4.170 1.00 0.00 C ATOM 112 H LEU A 9 3.264 0.930 -8.862 1.00 0.00 H ATOM 113 HA LEU A 9 4.299 -1.063 -7.186 1.00 0.00 H ATOM 114 1HB LEU A 9 3.609 1.476 -6.912 1.00 0.00 H ATOM 115 2HB LEU A 9 2.074 0.827 -6.344 1.00 0.00 H ATOM 116 HG LEU A 9 4.788 0.017 -5.193 1.00 0.00 H ATOM 117 1HD1 LEU A 9 2.939 2.254 -4.266 1.00 0.00 H ATOM 118 2HD1 LEU A 9 4.392 1.686 -3.415 1.00 0.00 H ATOM 119 3HD1 LEU A 9 4.542 2.471 -4.995 1.00 0.00 H ATOM 120 1HD2 LEU A 9 2.842 -1.441 -4.625 1.00 0.00 H ATOM 121 2HD2 LEU A 9 3.455 -0.572 -3.208 1.00 0.00 H ATOM 122 3HD2 LEU A 9 1.973 -0.014 -4.016 1.00 0.00 H ATOM 123 N ALA A 10 1.042 -1.301 -7.818 1.00 0.00 N ATOM 124 CA ALA A 10 -0.087 -2.208 -7.935 1.00 0.00 C ATOM 125 C ALA A 10 0.201 -3.319 -8.941 1.00 0.00 C ATOM 126 O ALA A 10 -0.131 -4.473 -8.692 1.00 0.00 O ATOM 127 CB ALA A 10 -1.331 -1.417 -8.351 1.00 0.00 C ATOM 128 H ALA A 10 0.927 -0.369 -8.192 1.00 0.00 H ATOM 129 HA ALA A 10 -0.272 -2.663 -6.964 1.00 0.00 H ATOM 130 1HB ALA A 10 -1.511 -0.611 -7.640 1.00 0.00 H ATOM 131 2HB ALA A 10 -1.187 -0.986 -9.342 1.00 0.00 H ATOM 132 3HB ALA A 10 -2.198 -2.078 -8.370 1.00 0.00 H ATOM 133 N GLU A 11 0.805 -2.969 -10.082 1.00 0.00 N ATOM 134 CA GLU A 11 1.009 -3.876 -11.199 1.00 0.00 C ATOM 135 C GLU A 11 1.795 -5.112 -10.770 1.00 0.00 C ATOM 136 O GLU A 11 1.349 -6.237 -10.996 1.00 0.00 O ATOM 137 CB GLU A 11 1.697 -3.124 -12.347 1.00 0.00 C ATOM 138 CG GLU A 11 1.763 -3.955 -13.630 1.00 0.00 C ATOM 139 CD GLU A 11 2.382 -3.145 -14.765 1.00 0.00 C ATOM 140 OE1 GLU A 11 3.593 -3.333 -15.007 1.00 0.00 O ATOM 141 OE2 GLU A 11 1.632 -2.340 -15.362 1.00 0.00 O ATOM 142 H GLU A 11 1.073 -2.004 -10.212 1.00 0.00 H ATOM 143 HA GLU A 11 0.021 -4.193 -11.527 1.00 0.00 H ATOM 144 1HB GLU A 11 1.133 -2.219 -12.567 1.00 0.00 H ATOM 145 2HB GLU A 11 2.709 -2.845 -12.055 1.00 0.00 H ATOM 146 1HG GLU A 11 2.359 -4.851 -13.460 1.00 0.00 H ATOM 147 2HG GLU A 11 0.755 -4.250 -13.917 1.00 0.00 H ATOM 148 N LYS A 12 2.957 -4.901 -10.141 1.00 0.00 N ATOM 149 CA LYS A 12 3.814 -5.989 -9.698 1.00 0.00 C ATOM 150 C LYS A 12 3.180 -6.808 -8.567 1.00 0.00 C ATOM 151 O LYS A 12 3.338 -8.028 -8.552 1.00 0.00 O ATOM 152 CB LYS A 12 5.210 -5.464 -9.336 1.00 0.00 C ATOM 153 CG LYS A 12 5.222 -4.560 -8.099 1.00 0.00 C ATOM 154 CD LYS A 12 6.533 -3.781 -7.969 1.00 0.00 C ATOM 155 CE LYS A 12 7.748 -4.699 -7.818 1.00 0.00 C ATOM 156 NZ LYS A 12 8.953 -3.927 -7.475 1.00 0.00 N ATOM 157 H LYS A 12 3.269 -3.950 -9.992 1.00 0.00 H ATOM 158 HA LYS A 12 3.954 -6.660 -10.547 1.00 0.00 H ATOM 159 1HB LYS A 12 5.858 -6.322 -9.147 1.00 0.00 H ATOM 160 2HB LYS A 12 5.603 -4.912 -10.190 1.00 0.00 H ATOM 161 1HG LYS A 12 4.410 -3.839 -8.158 1.00 0.00 H ATOM 162 2HG LYS A 12 5.084 -5.171 -7.210 1.00 0.00 H ATOM 163 1HD LYS A 12 6.666 -3.157 -8.853 1.00 0.00 H ATOM 164 2HD LYS A 12 6.460 -3.138 -7.091 1.00 0.00 H ATOM 165 1HE LYS A 12 7.566 -5.428 -7.028 1.00 0.00 H ATOM 166 2HE LYS A 12 7.930 -5.228 -8.754 1.00 0.00 H ATOM 167 1HZ LYS A 12 9.127 -3.235 -8.191 1.00 0.00 H ATOM 168 2HZ LYS A 12 8.815 -3.466 -6.587 1.00 0.00 H ATOM 169 3HZ LYS A 12 9.746 -4.550 -7.410 1.00 0.00 H ATOM 170 N TYR A 13 2.479 -6.156 -7.627 1.00 0.00 N ATOM 171 CA TYR A 13 1.924 -6.813 -6.448 1.00 0.00 C ATOM 172 C TYR A 13 0.421 -7.072 -6.599 1.00 0.00 C ATOM 173 O TYR A 13 0.022 -8.195 -6.906 1.00 0.00 O ATOM 174 CB TYR A 13 2.250 -5.998 -5.185 1.00 0.00 C ATOM 175 CG TYR A 13 3.725 -5.767 -4.903 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.640 -6.838 -4.916 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.175 -4.477 -4.563 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.997 -6.612 -4.627 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.531 -4.251 -4.273 1.00 0.00 C ATOM 180 CZ TYR A 13 6.445 -5.317 -4.315 1.00 0.00 C ATOM 181 OH TYR A 13 7.765 -5.089 -4.053 1.00 0.00 O ATOM 182 H TYR A 13 2.368 -5.154 -7.700 1.00 0.00 H ATOM 183 HA TYR A 13 2.384 -7.792 -6.318 1.00 0.00 H ATOM 184 1HB TYR A 13 1.768 -5.024 -5.269 1.00 0.00 H ATOM 185 2HB TYR A 13 1.827 -6.515 -4.322 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.315 -7.841 -5.146 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.479 -3.655 -4.515 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.692 -7.439 -4.643 1.00 0.00 H ATOM 189 HE2 TYR A 13 5.867 -3.259 -4.009 1.00 0.00 H ATOM 190 HH TYR A 13 8.306 -5.880 -4.100 1.00 0.00 H ATOM 191 N PHE A 14 -0.417 -6.059 -6.345 1.00 0.00 N ATOM 192 CA PHE A 14 -1.864 -6.204 -6.239 1.00 0.00 C ATOM 193 C PHE A 14 -2.530 -5.925 -7.587 1.00 0.00 C ATOM 194 O PHE A 14 -3.294 -4.974 -7.741 1.00 0.00 O ATOM 195 CB PHE A 14 -2.421 -5.381 -5.062 1.00 0.00 C ATOM 196 CG PHE A 14 -1.922 -3.952 -4.925 1.00 0.00 C ATOM 197 CD1 PHE A 14 -0.712 -3.695 -4.252 1.00 0.00 C ATOM 198 CD2 PHE A 14 -2.723 -2.874 -5.346 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.265 -2.374 -4.078 1.00 0.00 C ATOM 200 CE2 PHE A 14 -2.294 -1.550 -5.137 1.00 0.00 C ATOM 201 CZ PHE A 14 -1.049 -1.301 -4.534 1.00 0.00 C ATOM 202 H PHE A 14 -0.036 -5.129 -6.250 1.00 0.00 H ATOM 203 HA PHE A 14 -2.107 -7.241 -5.998 1.00 0.00 H ATOM 204 1HB PHE A 14 -3.511 -5.384 -5.114 1.00 0.00 H ATOM 205 2HB PHE A 14 -2.149 -5.907 -4.145 1.00 0.00 H ATOM 206 HD1 PHE A 14 -0.125 -4.511 -3.856 1.00 0.00 H ATOM 207 HD2 PHE A 14 -3.676 -3.055 -5.822 1.00 0.00 H ATOM 208 HE1 PHE A 14 0.675 -2.186 -3.580 1.00 0.00 H ATOM 209 HE2 PHE A 14 -2.916 -0.725 -5.452 1.00 0.00 H ATOM 210 HZ PHE A 14 -0.702 -0.285 -4.409 1.00 0.00 H ATOM 211 N GLN A 15 -2.241 -6.805 -8.552 1.00 0.00 N ATOM 212 CA GLN A 15 -2.889 -6.861 -9.853 1.00 0.00 C ATOM 213 C GLN A 15 -2.722 -8.275 -10.412 1.00 0.00 C ATOM 214 O GLN A 15 -3.705 -8.965 -10.669 1.00 0.00 O ATOM 215 CB GLN A 15 -2.299 -5.797 -10.789 1.00 0.00 C ATOM 216 CG GLN A 15 -3.061 -5.719 -12.117 1.00 0.00 C ATOM 217 CD GLN A 15 -2.398 -4.737 -13.080 1.00 0.00 C ATOM 218 OE1 GLN A 15 -1.696 -5.155 -13.999 1.00 0.00 O ATOM 219 NE2 GLN A 15 -2.626 -3.435 -12.870 1.00 0.00 N ATOM 220 H GLN A 15 -1.575 -7.534 -8.333 1.00 0.00 H ATOM 221 HA GLN A 15 -3.954 -6.662 -9.720 1.00 0.00 H ATOM 222 1HB GLN A 15 -2.345 -4.821 -10.306 1.00 0.00 H ATOM 223 2HB GLN A 15 -1.257 -6.039 -10.991 1.00 0.00 H ATOM 224 1HG GLN A 15 -3.077 -6.702 -12.590 1.00 0.00 H ATOM 225 2HG GLN A 15 -4.090 -5.410 -11.928 1.00 0.00 H ATOM 226 1HE2 GLN A 15 -3.218 -3.167 -12.097 1.00 0.00 H HETATM 227 N NH2 A 16 -1.474 -8.717 -10.593 1.00 0.00 N HETATM 228 1HN NH2 A 16 -1.321 -9.647 -10.957 1.00 0.00 H HETATM 229 2HN NH2 A 16 -0.688 -8.121 -10.374 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -2.095 -2.377 -13.718 1.00 0.00 C HETATM 232 C2 LNK A 17 -2.950 -1.112 -13.591 1.00 0.00 C HETATM 233 C3 LNK A 17 -2.755 -0.434 -12.229 1.00 0.00 C HETATM 234 C4 LNK A 17 -3.724 0.739 -12.014 1.00 0.00 C HETATM 235 C5 LNK A 17 -3.623 1.847 -13.072 1.00 0.00 C HETATM 236 H11 LNK A 17 -2.112 -2.697 -14.761 1.00 0.00 H HETATM 237 H12 LNK A 17 -1.066 -2.156 -13.434 1.00 0.00 H HETATM 238 H21 LNK A 17 -2.643 -0.424 -14.379 1.00 0.00 H HETATM 239 H22 LNK A 17 -4.000 -1.371 -13.736 1.00 0.00 H HETATM 240 H31 LNK A 17 -2.933 -1.158 -11.433 1.00 0.00 H HETATM 241 H32 LNK A 17 -1.726 -0.084 -12.148 1.00 0.00 H HETATM 242 H41 LNK A 17 -3.533 1.172 -11.031 1.00 0.00 H HETATM 243 H42 LNK A 17 -4.745 0.354 -12.022 1.00 0.00 H HETATM 244 H51 LNK A 17 -3.868 1.448 -14.056 1.00 0.00 H HETATM 245 H52 LNK A 17 -4.354 2.623 -12.841 1.00 0.00 H ENDMDL MODEL 19 HETATM 1 C ACE A 3 0.528 7.880 -4.574 1.00 0.00 C HETATM 2 O ACE A 3 -0.258 7.130 -5.149 1.00 0.00 O HETATM 3 CH3 ACE A 3 0.885 7.644 -3.112 1.00 0.00 C HETATM 4 1H ACE A 3 0.273 6.839 -2.703 1.00 0.00 H HETATM 5 2H ACE A 3 1.937 7.369 -3.034 1.00 0.00 H HETATM 6 3H ACE A 3 0.705 8.555 -2.539 1.00 0.00 H ATOM 7 N ARG A 4 1.111 8.928 -5.166 1.00 0.00 N ATOM 8 CA ARG A 4 0.880 9.315 -6.552 1.00 0.00 C ATOM 9 C ARG A 4 1.319 8.217 -7.535 1.00 0.00 C ATOM 10 O ARG A 4 0.471 7.747 -8.292 1.00 0.00 O ATOM 11 CB ARG A 4 1.493 10.700 -6.823 1.00 0.00 C ATOM 12 CG ARG A 4 1.484 11.114 -8.302 1.00 0.00 C ATOM 13 CD ARG A 4 0.067 11.214 -8.881 1.00 0.00 C ATOM 14 NE ARG A 4 0.092 11.643 -10.285 1.00 0.00 N ATOM 15 CZ ARG A 4 0.267 12.905 -10.713 1.00 0.00 C ATOM 16 NH1 ARG A 4 0.463 13.910 -9.847 1.00 0.00 N ATOM 17 NH2 ARG A 4 0.245 13.164 -12.027 1.00 0.00 N ATOM 18 H ARG A 4 1.745 9.495 -4.622 1.00 0.00 H ATOM 19 HA ARG A 4 -0.199 9.430 -6.664 1.00 0.00 H ATOM 20 1HB ARG A 4 0.929 11.441 -6.252 1.00 0.00 H ATOM 21 2HB ARG A 4 2.520 10.732 -6.463 1.00 0.00 H ATOM 22 1HG ARG A 4 1.965 12.090 -8.376 1.00 0.00 H ATOM 23 2HG ARG A 4 2.069 10.409 -8.893 1.00 0.00 H ATOM 24 1HD ARG A 4 -0.415 10.237 -8.850 1.00 0.00 H ATOM 25 2HD ARG A 4 -0.533 11.907 -8.289 1.00 0.00 H ATOM 26 HE ARG A 4 -0.044 10.918 -10.977 1.00 0.00 H ATOM 27 1HH1 ARG A 4 0.487 13.726 -8.855 1.00 0.00 H ATOM 28 2HH1 ARG A 4 0.589 14.853 -10.185 1.00 0.00 H ATOM 29 1HH2 ARG A 4 0.081 12.419 -12.688 1.00 0.00 H ATOM 30 2HH2 ARG A 4 0.386 14.107 -12.361 1.00 0.00 H ATOM 31 N PRO A 5 2.595 7.780 -7.558 1.00 0.00 N ATOM 32 CA PRO A 5 3.039 6.699 -8.429 1.00 0.00 C ATOM 33 C PRO A 5 2.552 5.351 -7.884 1.00 0.00 C ATOM 34 O PRO A 5 3.306 4.615 -7.253 1.00 0.00 O ATOM 35 CB PRO A 5 4.566 6.812 -8.461 1.00 0.00 C ATOM 36 CG PRO A 5 4.892 7.363 -7.075 1.00 0.00 C ATOM 37 CD PRO A 5 3.731 8.326 -6.827 1.00 0.00 C ATOM 38 HA PRO A 5 2.659 6.834 -9.443 1.00 0.00 H ATOM 39 1HB PRO A 5 5.070 5.869 -8.672 1.00 0.00 H ATOM 40 2HB PRO A 5 4.852 7.553 -9.209 1.00 0.00 H ATOM 41 1HG PRO A 5 4.866 6.559 -6.338 1.00 0.00 H ATOM 42 2HG PRO A 5 5.860 7.865 -7.047 1.00 0.00 H ATOM 43 1HD PRO A 5 3.553 8.419 -5.757 1.00 0.00 H ATOM 44 2HD PRO A 5 4.001 9.292 -7.256 1.00 0.00 H ATOM 45 N LEU A 6 1.273 5.046 -8.123 1.00 0.00 N ATOM 46 CA LEU A 6 0.600 3.832 -7.679 1.00 0.00 C ATOM 47 C LEU A 6 0.723 2.728 -8.739 1.00 0.00 C ATOM 48 O LEU A 6 0.877 1.560 -8.396 1.00 0.00 O ATOM 49 CB LEU A 6 -0.866 4.193 -7.374 1.00 0.00 C ATOM 50 CG LEU A 6 -1.627 3.298 -6.377 1.00 0.00 C ATOM 51 CD1 LEU A 6 -1.857 1.870 -6.876 1.00 0.00 C ATOM 52 CD2 LEU A 6 -0.974 3.268 -4.989 1.00 0.00 C ATOM 53 H LEU A 6 0.710 5.739 -8.599 1.00 0.00 H ATOM 54 HA LEU A 6 1.077 3.490 -6.762 1.00 0.00 H ATOM 55 1HB LEU A 6 -0.878 5.194 -6.943 1.00 0.00 H ATOM 56 2HB LEU A 6 -1.425 4.239 -8.311 1.00 0.00 H ATOM 57 HG LEU A 6 -2.611 3.754 -6.259 1.00 0.00 H ATOM 58 1HD1 LEU A 6 -2.181 1.884 -7.917 1.00 0.00 H ATOM 59 2HD1 LEU A 6 -0.948 1.280 -6.778 1.00 0.00 H ATOM 60 3HD1 LEU A 6 -2.634 1.401 -6.271 1.00 0.00 H ATOM 61 1HD2 LEU A 6 -0.772 4.284 -4.650 1.00 0.00 H ATOM 62 2HD2 LEU A 6 -1.653 2.789 -4.283 1.00 0.00 H ATOM 63 3HD2 LEU A 6 -0.043 2.702 -5.008 1.00 0.00 H ATOM 64 N GLN A 7 0.645 3.105 -10.024 1.00 0.00 N ATOM 65 CA GLN A 7 0.524 2.210 -11.171 1.00 0.00 C ATOM 66 C GLN A 7 1.450 0.988 -11.112 1.00 0.00 C ATOM 67 O GLN A 7 0.966 -0.143 -11.114 1.00 0.00 O ATOM 68 CB GLN A 7 0.739 3.014 -12.463 1.00 0.00 C ATOM 69 CG GLN A 7 0.338 2.243 -13.729 1.00 0.00 C ATOM 70 CD GLN A 7 -1.180 2.185 -13.894 1.00 0.00 C ATOM 71 OE1 GLN A 7 -1.755 3.022 -14.587 1.00 0.00 O ATOM 72 NE2 GLN A 7 -1.827 1.211 -13.245 1.00 0.00 N ATOM 73 H GLN A 7 0.542 4.091 -10.214 1.00 0.00 H ATOM 74 HA GLN A 7 -0.504 1.851 -11.147 1.00 0.00 H ATOM 75 1HB GLN A 7 0.149 3.932 -12.423 1.00 0.00 H ATOM 76 2HB GLN A 7 1.790 3.295 -12.538 1.00 0.00 H ATOM 77 1HG GLN A 7 0.749 2.774 -14.588 1.00 0.00 H ATOM 78 2HG GLN A 7 0.758 1.237 -13.724 1.00 0.00 H ATOM 79 1HE2 GLN A 7 -1.294 0.546 -12.702 1.00 0.00 H ATOM 80 N TRP A 8 2.769 1.216 -11.071 1.00 0.00 N ATOM 81 CA TRP A 8 3.783 0.165 -11.022 1.00 0.00 C ATOM 82 C TRP A 8 3.574 -0.761 -9.818 1.00 0.00 C ATOM 83 O TRP A 8 3.759 -1.972 -9.921 1.00 0.00 O ATOM 84 CB TRP A 8 5.181 0.799 -10.965 1.00 0.00 C ATOM 85 CG TRP A 8 5.499 1.509 -9.682 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.124 2.770 -9.377 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.107 0.974 -8.465 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.440 3.050 -8.066 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.030 1.969 -7.448 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.665 -0.271 -8.098 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.470 1.741 -6.135 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.136 -0.499 -6.790 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.032 0.499 -5.808 1.00 0.00 C ATOM 94 H TRP A 8 3.090 2.172 -11.077 1.00 0.00 H ATOM 95 HA TRP A 8 3.711 -0.422 -11.939 1.00 0.00 H ATOM 96 1HB TRP A 8 5.918 0.007 -11.103 1.00 0.00 H ATOM 97 2HB TRP A 8 5.288 1.499 -11.795 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.592 3.439 -10.038 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.204 3.906 -7.581 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.727 -1.060 -8.831 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.353 2.502 -5.377 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.578 -1.448 -6.533 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.377 0.307 -4.802 1.00 0.00 H ATOM 104 N LEU A 9 3.205 -0.170 -8.675 1.00 0.00 N ATOM 105 CA LEU A 9 3.038 -0.851 -7.404 1.00 0.00 C ATOM 106 C LEU A 9 1.888 -1.848 -7.542 1.00 0.00 C ATOM 107 O LEU A 9 2.079 -3.041 -7.321 1.00 0.00 O ATOM 108 CB LEU A 9 2.824 0.206 -6.303 1.00 0.00 C ATOM 109 CG LEU A 9 3.385 -0.189 -4.929 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.437 1.047 -4.022 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.526 -1.253 -4.246 1.00 0.00 C ATOM 112 H LEU A 9 3.032 0.826 -8.686 1.00 0.00 H ATOM 113 HA LEU A 9 3.962 -1.392 -7.196 1.00 0.00 H ATOM 114 1HB LEU A 9 3.360 1.108 -6.602 1.00 0.00 H ATOM 115 2HB LEU A 9 1.768 0.457 -6.207 1.00 0.00 H ATOM 116 HG LEU A 9 4.400 -0.570 -5.048 1.00 0.00 H ATOM 117 1HD1 LEU A 9 2.436 1.459 -3.892 1.00 0.00 H ATOM 118 2HD1 LEU A 9 3.839 0.774 -3.046 1.00 0.00 H ATOM 119 3HD1 LEU A 9 4.080 1.809 -4.462 1.00 0.00 H ATOM 120 1HD2 LEU A 9 2.454 -2.136 -4.873 1.00 0.00 H ATOM 121 2HD2 LEU A 9 2.983 -1.530 -3.297 1.00 0.00 H ATOM 122 3HD2 LEU A 9 1.528 -0.857 -4.064 1.00 0.00 H ATOM 123 N ALA A 10 0.718 -1.372 -7.984 1.00 0.00 N ATOM 124 CA ALA A 10 -0.434 -2.218 -8.258 1.00 0.00 C ATOM 125 C ALA A 10 -0.114 -3.308 -9.281 1.00 0.00 C ATOM 126 O ALA A 10 -0.542 -4.448 -9.110 1.00 0.00 O ATOM 127 CB ALA A 10 -1.608 -1.359 -8.732 1.00 0.00 C ATOM 128 H ALA A 10 0.639 -0.382 -8.181 1.00 0.00 H ATOM 129 HA ALA A 10 -0.713 -2.708 -7.328 1.00 0.00 H ATOM 130 1HB ALA A 10 -1.325 -0.796 -9.623 1.00 0.00 H ATOM 131 2HB ALA A 10 -2.459 -1.999 -8.967 1.00 0.00 H ATOM 132 3HB ALA A 10 -1.897 -0.666 -7.944 1.00 0.00 H ATOM 133 N GLU A 11 0.631 -2.960 -10.337 1.00 0.00 N ATOM 134 CA GLU A 11 0.980 -3.880 -11.407 1.00 0.00 C ATOM 135 C GLU A 11 1.727 -5.105 -10.877 1.00 0.00 C ATOM 136 O GLU A 11 1.314 -6.229 -11.156 1.00 0.00 O ATOM 137 CB GLU A 11 1.755 -3.140 -12.506 1.00 0.00 C ATOM 138 CG GLU A 11 1.989 -4.029 -13.732 1.00 0.00 C ATOM 139 CD GLU A 11 2.624 -3.232 -14.867 1.00 0.00 C ATOM 140 OE1 GLU A 11 3.872 -3.164 -14.889 1.00 0.00 O ATOM 141 OE2 GLU A 11 1.849 -2.697 -15.690 1.00 0.00 O ATOM 142 H GLU A 11 0.940 -2.000 -10.421 1.00 0.00 H ATOM 143 HA GLU A 11 0.050 -4.229 -11.851 1.00 0.00 H ATOM 144 1HB GLU A 11 1.171 -2.273 -12.820 1.00 0.00 H ATOM 145 2HB GLU A 11 2.716 -2.796 -12.125 1.00 0.00 H ATOM 146 1HG GLU A 11 2.645 -4.859 -13.469 1.00 0.00 H ATOM 147 2HG GLU A 11 1.037 -4.435 -14.074 1.00 0.00 H ATOM 148 N LYS A 12 2.813 -4.905 -10.119 1.00 0.00 N ATOM 149 CA LYS A 12 3.631 -6.015 -9.644 1.00 0.00 C ATOM 150 C LYS A 12 3.033 -6.695 -8.405 1.00 0.00 C ATOM 151 O LYS A 12 2.973 -7.923 -8.362 1.00 0.00 O ATOM 152 CB LYS A 12 5.098 -5.588 -9.468 1.00 0.00 C ATOM 153 CG LYS A 12 5.355 -4.688 -8.257 1.00 0.00 C ATOM 154 CD LYS A 12 6.790 -4.147 -8.226 1.00 0.00 C ATOM 155 CE LYS A 12 7.836 -5.250 -8.031 1.00 0.00 C ATOM 156 NZ LYS A 12 9.180 -4.679 -7.846 1.00 0.00 N ATOM 157 H LYS A 12 3.109 -3.959 -9.915 1.00 0.00 H ATOM 158 HA LYS A 12 3.657 -6.768 -10.435 1.00 0.00 H ATOM 159 1HB LYS A 12 5.693 -6.494 -9.352 1.00 0.00 H ATOM 160 2HB LYS A 12 5.422 -5.071 -10.371 1.00 0.00 H ATOM 161 1HG LYS A 12 4.667 -3.844 -8.281 1.00 0.00 H ATOM 162 2HG LYS A 12 5.188 -5.265 -7.350 1.00 0.00 H ATOM 163 1HD LYS A 12 7.000 -3.599 -9.145 1.00 0.00 H ATOM 164 2HD LYS A 12 6.863 -3.458 -7.386 1.00 0.00 H ATOM 165 1HE LYS A 12 7.587 -5.840 -7.148 1.00 0.00 H ATOM 166 2HE LYS A 12 7.861 -5.903 -8.903 1.00 0.00 H ATOM 167 1HZ LYS A 12 9.181 -4.078 -7.034 1.00 0.00 H ATOM 168 2HZ LYS A 12 9.849 -5.424 -7.712 1.00 0.00 H ATOM 169 3HZ LYS A 12 9.435 -4.142 -8.662 1.00 0.00 H ATOM 170 N TYR A 13 2.598 -5.922 -7.399 1.00 0.00 N ATOM 171 CA TYR A 13 2.152 -6.467 -6.121 1.00 0.00 C ATOM 172 C TYR A 13 0.722 -7.005 -6.203 1.00 0.00 C ATOM 173 O TYR A 13 0.501 -8.200 -6.012 1.00 0.00 O ATOM 174 CB TYR A 13 2.238 -5.411 -5.005 1.00 0.00 C ATOM 175 CG TYR A 13 3.628 -5.128 -4.466 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.435 -4.128 -5.040 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.070 -5.796 -3.309 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.681 -3.811 -4.473 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.319 -5.485 -2.745 1.00 0.00 C ATOM 180 CZ TYR A 13 6.126 -4.493 -3.328 1.00 0.00 C ATOM 181 OH TYR A 13 7.338 -4.194 -2.776 1.00 0.00 O ATOM 182 H TYR A 13 2.638 -4.915 -7.494 1.00 0.00 H ATOM 183 HA TYR A 13 2.804 -7.295 -5.838 1.00 0.00 H ATOM 184 1HB TYR A 13 1.774 -4.483 -5.332 1.00 0.00 H ATOM 185 2HB TYR A 13 1.644 -5.775 -4.166 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.106 -3.603 -5.921 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.441 -6.537 -2.838 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.293 -3.040 -4.918 1.00 0.00 H ATOM 189 HE2 TYR A 13 5.654 -6.004 -1.859 1.00 0.00 H ATOM 190 HH TYR A 13 7.810 -3.504 -3.248 1.00 0.00 H ATOM 191 N PHE A 14 -0.250 -6.116 -6.436 1.00 0.00 N ATOM 192 CA PHE A 14 -1.666 -6.437 -6.304 1.00 0.00 C ATOM 193 C PHE A 14 -2.141 -7.363 -7.422 1.00 0.00 C ATOM 194 O PHE A 14 -2.776 -8.379 -7.147 1.00 0.00 O ATOM 195 CB PHE A 14 -2.504 -5.152 -6.221 1.00 0.00 C ATOM 196 CG PHE A 14 -2.066 -4.113 -5.194 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.228 -4.449 -4.109 1.00 0.00 C ATOM 198 CD2 PHE A 14 -2.464 -2.772 -5.364 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.711 -3.444 -3.274 1.00 0.00 C ATOM 200 CE2 PHE A 14 -1.958 -1.769 -4.519 1.00 0.00 C ATOM 201 CZ PHE A 14 -1.079 -2.104 -3.476 1.00 0.00 C ATOM 202 H PHE A 14 -0.001 -5.155 -6.625 1.00 0.00 H ATOM 203 HA PHE A 14 -1.810 -6.979 -5.368 1.00 0.00 H ATOM 204 1HB PHE A 14 -2.495 -4.680 -7.204 1.00 0.00 H ATOM 205 2HB PHE A 14 -3.533 -5.435 -5.998 1.00 0.00 H ATOM 206 HD1 PHE A 14 -0.950 -5.473 -3.911 1.00 0.00 H ATOM 207 HD2 PHE A 14 -3.131 -2.502 -6.169 1.00 0.00 H ATOM 208 HE1 PHE A 14 -0.022 -3.707 -2.483 1.00 0.00 H ATOM 209 HE2 PHE A 14 -2.235 -0.737 -4.681 1.00 0.00 H ATOM 210 HZ PHE A 14 -0.688 -1.331 -2.830 1.00 0.00 H ATOM 211 N GLN A 15 -1.819 -7.027 -8.675 1.00 0.00 N ATOM 212 CA GLN A 15 -2.119 -7.875 -9.817 1.00 0.00 C ATOM 213 C GLN A 15 -1.071 -8.987 -9.894 1.00 0.00 C ATOM 214 O GLN A 15 -1.415 -10.166 -9.865 1.00 0.00 O ATOM 215 CB GLN A 15 -2.155 -7.041 -11.103 1.00 0.00 C ATOM 216 CG GLN A 15 -3.323 -6.048 -11.111 1.00 0.00 C ATOM 217 CD GLN A 15 -3.316 -5.235 -12.401 1.00 0.00 C ATOM 218 OE1 GLN A 15 -4.006 -5.584 -13.356 1.00 0.00 O ATOM 219 NE2 GLN A 15 -2.517 -4.161 -12.419 1.00 0.00 N ATOM 220 H GLN A 15 -1.286 -6.183 -8.837 1.00 0.00 H ATOM 221 HA GLN A 15 -3.102 -8.333 -9.689 1.00 0.00 H ATOM 222 1HB GLN A 15 -1.222 -6.491 -11.214 1.00 0.00 H ATOM 223 2HB GLN A 15 -2.267 -7.715 -11.954 1.00 0.00 H ATOM 224 1HG GLN A 15 -4.264 -6.594 -11.037 1.00 0.00 H ATOM 225 2HG GLN A 15 -3.245 -5.370 -10.260 1.00 0.00 H ATOM 226 1HE2 GLN A 15 -1.996 -3.942 -11.582 1.00 0.00 H HETATM 227 N NH2 A 16 0.209 -8.620 -9.977 1.00 0.00 N HETATM 228 1HN NH2 A 16 0.457 -7.640 -10.024 1.00 0.00 H HETATM 229 2HN NH2 A 16 0.932 -9.324 -10.003 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -2.297 -3.315 -13.582 1.00 0.00 C HETATM 232 C2 LNK A 17 -2.280 -1.841 -13.170 1.00 0.00 C HETATM 233 C3 LNK A 17 -3.681 -1.387 -12.740 1.00 0.00 C HETATM 234 C4 LNK A 17 -3.726 0.048 -12.200 1.00 0.00 C HETATM 235 C5 LNK A 17 -3.278 1.104 -13.218 1.00 0.00 C HETATM 236 H11 LNK A 17 -3.068 -3.466 -14.339 1.00 0.00 H HETATM 237 H12 LNK A 17 -1.330 -3.571 -14.015 1.00 0.00 H HETATM 238 H21 LNK A 17 -1.569 -1.691 -12.357 1.00 0.00 H HETATM 239 H22 LNK A 17 -1.962 -1.263 -14.038 1.00 0.00 H HETATM 240 H31 LNK A 17 -4.355 -1.464 -13.595 1.00 0.00 H HETATM 241 H32 LNK A 17 -4.047 -2.046 -11.953 1.00 0.00 H HETATM 242 H41 LNK A 17 -3.125 0.126 -11.292 1.00 0.00 H HETATM 243 H42 LNK A 17 -4.763 0.260 -11.937 1.00 0.00 H HETATM 244 H51 LNK A 17 -3.661 0.859 -14.210 1.00 0.00 H HETATM 245 H52 LNK A 17 -3.689 2.066 -12.910 1.00 0.00 H ENDMDL MODEL 20 HETATM 1 C ACE A 3 -0.629 11.328 -7.015 1.00 0.00 C HETATM 2 O ACE A 3 0.319 11.676 -6.314 1.00 0.00 O HETATM 3 CH3 ACE A 3 -1.482 12.372 -7.726 1.00 0.00 C HETATM 4 1H ACE A 3 -2.515 12.294 -7.386 1.00 0.00 H HETATM 5 2H ACE A 3 -1.108 13.372 -7.503 1.00 0.00 H HETATM 6 3H ACE A 3 -1.441 12.207 -8.803 1.00 0.00 H ATOM 7 N ARG A 4 -0.978 10.049 -7.202 1.00 0.00 N ATOM 8 CA ARG A 4 -0.289 8.910 -6.609 1.00 0.00 C ATOM 9 C ARG A 4 -0.033 7.862 -7.699 1.00 0.00 C ATOM 10 O ARG A 4 -0.788 6.895 -7.797 1.00 0.00 O ATOM 11 CB ARG A 4 -1.134 8.333 -5.463 1.00 0.00 C ATOM 12 CG ARG A 4 -1.272 9.326 -4.301 1.00 0.00 C ATOM 13 CD ARG A 4 -1.993 8.687 -3.108 1.00 0.00 C ATOM 14 NE ARG A 4 -3.356 8.257 -3.452 1.00 0.00 N ATOM 15 CZ ARG A 4 -4.427 9.062 -3.554 1.00 0.00 C ATOM 16 NH1 ARG A 4 -4.325 10.382 -3.348 1.00 0.00 N ATOM 17 NH2 ARG A 4 -5.619 8.535 -3.868 1.00 0.00 N ATOM 18 H ARG A 4 -1.771 9.849 -7.793 1.00 0.00 H ATOM 19 HA ARG A 4 0.667 9.207 -6.178 1.00 0.00 H ATOM 20 1HB ARG A 4 -2.125 8.068 -5.837 1.00 0.00 H ATOM 21 2HB ARG A 4 -0.647 7.431 -5.090 1.00 0.00 H ATOM 22 1HG ARG A 4 -0.278 9.638 -3.976 1.00 0.00 H ATOM 23 2HG ARG A 4 -1.824 10.207 -4.628 1.00 0.00 H ATOM 24 1HD ARG A 4 -1.429 7.813 -2.781 1.00 0.00 H ATOM 25 2HD ARG A 4 -2.024 9.395 -2.279 1.00 0.00 H ATOM 26 HE ARG A 4 -3.483 7.269 -3.623 1.00 0.00 H ATOM 27 1HH1 ARG A 4 -3.430 10.790 -3.118 1.00 0.00 H ATOM 28 2HH1 ARG A 4 -5.139 10.974 -3.427 1.00 0.00 H ATOM 29 1HH2 ARG A 4 -5.708 7.542 -4.026 1.00 0.00 H ATOM 30 2HH2 ARG A 4 -6.431 9.130 -3.948 1.00 0.00 H ATOM 31 N PRO A 5 1.018 8.027 -8.522 1.00 0.00 N ATOM 32 CA PRO A 5 1.353 7.109 -9.603 1.00 0.00 C ATOM 33 C PRO A 5 2.112 5.896 -9.057 1.00 0.00 C ATOM 34 O PRO A 5 3.232 5.614 -9.478 1.00 0.00 O ATOM 35 CB PRO A 5 2.184 7.953 -10.576 1.00 0.00 C ATOM 36 CG PRO A 5 2.944 8.885 -9.634 1.00 0.00 C ATOM 37 CD PRO A 5 1.916 9.173 -8.538 1.00 0.00 C ATOM 38 HA PRO A 5 0.465 6.741 -10.119 1.00 0.00 H ATOM 39 1HB PRO A 5 2.844 7.369 -11.218 1.00 0.00 H ATOM 40 2HB PRO A 5 1.510 8.550 -11.192 1.00 0.00 H ATOM 41 1HG PRO A 5 3.797 8.353 -9.209 1.00 0.00 H ATOM 42 2HG PRO A 5 3.280 9.794 -10.135 1.00 0.00 H ATOM 43 1HD PRO A 5 2.425 9.309 -7.584 1.00 0.00 H ATOM 44 2HD PRO A 5 1.356 10.072 -8.798 1.00 0.00 H ATOM 45 N LEU A 6 1.474 5.155 -8.142 1.00 0.00 N ATOM 46 CA LEU A 6 1.972 3.886 -7.630 1.00 0.00 C ATOM 47 C LEU A 6 1.470 2.706 -8.467 1.00 0.00 C ATOM 48 O LEU A 6 1.445 1.584 -7.971 1.00 0.00 O ATOM 49 CB LEU A 6 1.688 3.760 -6.121 1.00 0.00 C ATOM 50 CG LEU A 6 0.220 3.866 -5.660 1.00 0.00 C ATOM 51 CD1 LEU A 6 -0.635 2.648 -6.037 1.00 0.00 C ATOM 52 CD2 LEU A 6 0.203 3.997 -4.132 1.00 0.00 C ATOM 53 H LEU A 6 0.548 5.444 -7.855 1.00 0.00 H ATOM 54 HA LEU A 6 3.059 3.872 -7.719 1.00 0.00 H ATOM 55 1HB LEU A 6 2.108 2.824 -5.754 1.00 0.00 H ATOM 56 2HB LEU A 6 2.238 4.571 -5.641 1.00 0.00 H ATOM 57 HG LEU A 6 -0.239 4.763 -6.074 1.00 0.00 H ATOM 58 1HD1 LEU A 6 -0.153 1.729 -5.699 1.00 0.00 H ATOM 59 2HD1 LEU A 6 -1.612 2.725 -5.559 1.00 0.00 H ATOM 60 3HD1 LEU A 6 -0.795 2.611 -7.113 1.00 0.00 H ATOM 61 1HD2 LEU A 6 0.762 4.881 -3.826 1.00 0.00 H ATOM 62 2HD2 LEU A 6 -0.824 4.096 -3.778 1.00 0.00 H ATOM 63 3HD2 LEU A 6 0.652 3.113 -3.677 1.00 0.00 H ATOM 64 N GLN A 7 1.103 2.937 -9.738 1.00 0.00 N ATOM 65 CA GLN A 7 0.708 1.894 -10.679 1.00 0.00 C ATOM 66 C GLN A 7 1.786 0.815 -10.768 1.00 0.00 C ATOM 67 O GLN A 7 1.461 -0.368 -10.828 1.00 0.00 O ATOM 68 CB GLN A 7 0.400 2.520 -12.050 1.00 0.00 C ATOM 69 CG GLN A 7 0.104 1.486 -13.156 1.00 0.00 C ATOM 70 CD GLN A 7 1.358 0.899 -13.814 1.00 0.00 C ATOM 71 OE1 GLN A 7 2.427 1.505 -13.763 1.00 0.00 O ATOM 72 NE2 GLN A 7 1.232 -0.274 -14.451 1.00 0.00 N ATOM 73 H GLN A 7 1.152 3.879 -10.094 1.00 0.00 H ATOM 74 HA GLN A 7 -0.208 1.429 -10.311 1.00 0.00 H ATOM 75 1HB GLN A 7 -0.489 3.141 -11.928 1.00 0.00 H ATOM 76 2HB GLN A 7 1.217 3.174 -12.357 1.00 0.00 H ATOM 77 1HG GLN A 7 -0.516 0.688 -12.746 1.00 0.00 H ATOM 78 2HG GLN A 7 -0.462 1.986 -13.943 1.00 0.00 H ATOM 79 1HE2 GLN A 7 0.337 -0.742 -14.465 1.00 0.00 H ATOM 80 N TRP A 8 3.061 1.223 -10.760 1.00 0.00 N ATOM 81 CA TRP A 8 4.185 0.297 -10.774 1.00 0.00 C ATOM 82 C TRP A 8 4.104 -0.681 -9.593 1.00 0.00 C ATOM 83 O TRP A 8 4.370 -1.868 -9.755 1.00 0.00 O ATOM 84 CB TRP A 8 5.510 1.075 -10.765 1.00 0.00 C ATOM 85 CG TRP A 8 5.891 1.685 -9.449 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.564 2.925 -9.023 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.587 1.053 -8.333 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.991 3.103 -7.723 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.615 1.968 -7.241 1.00 0.00 C ATOM 90 CE3 TRP A 8 7.157 -0.222 -8.118 1.00 0.00 C ATOM 91 CZ2 TRP A 8 7.176 1.634 -5.999 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.722 -0.567 -6.876 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.730 0.357 -5.817 1.00 0.00 C ATOM 94 H TRP A 8 3.251 2.215 -10.721 1.00 0.00 H ATOM 95 HA TRP A 8 4.135 -0.273 -11.703 1.00 0.00 H ATOM 96 1HB TRP A 8 6.304 0.381 -11.042 1.00 0.00 H ATOM 97 2HB TRP A 8 5.474 1.855 -11.528 1.00 0.00 H ATOM 98 HD1 TRP A 8 5.015 3.655 -9.599 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.854 3.937 -7.170 1.00 0.00 H ATOM 100 HE3 TRP A 8 7.146 -0.951 -8.915 1.00 0.00 H ATOM 101 HZ2 TRP A 8 7.162 2.343 -5.184 1.00 0.00 H ATOM 102 HZ3 TRP A 8 8.144 -1.551 -6.734 1.00 0.00 H ATOM 103 HH2 TRP A 8 8.142 0.073 -4.860 1.00 0.00 H ATOM 104 N LEU A 9 3.738 -0.171 -8.410 1.00 0.00 N ATOM 105 CA LEU A 9 3.669 -0.916 -7.162 1.00 0.00 C ATOM 106 C LEU A 9 2.444 -1.831 -7.208 1.00 0.00 C ATOM 107 O LEU A 9 2.554 -3.043 -7.030 1.00 0.00 O ATOM 108 CB LEU A 9 3.592 0.094 -5.998 1.00 0.00 C ATOM 109 CG LEU A 9 4.243 -0.380 -4.690 1.00 0.00 C ATOM 110 CD1 LEU A 9 4.180 0.749 -3.655 1.00 0.00 C ATOM 111 CD2 LEU A 9 3.557 -1.619 -4.118 1.00 0.00 C ATOM 112 H LEU A 9 3.490 0.807 -8.371 1.00 0.00 H ATOM 113 HA LEU A 9 4.577 -1.512 -7.062 1.00 0.00 H ATOM 114 1HB LEU A 9 4.119 1.001 -6.294 1.00 0.00 H ATOM 115 2HB LEU A 9 2.555 0.364 -5.798 1.00 0.00 H ATOM 116 HG LEU A 9 5.289 -0.620 -4.876 1.00 0.00 H ATOM 117 1HD1 LEU A 9 4.668 1.641 -4.048 1.00 0.00 H ATOM 118 2HD1 LEU A 9 3.141 0.983 -3.421 1.00 0.00 H ATOM 119 3HD1 LEU A 9 4.691 0.441 -2.743 1.00 0.00 H ATOM 120 1HD2 LEU A 9 2.487 -1.443 -4.001 1.00 0.00 H ATOM 121 2HD2 LEU A 9 3.722 -2.452 -4.793 1.00 0.00 H ATOM 122 3HD2 LEU A 9 3.992 -1.867 -3.149 1.00 0.00 H ATOM 123 N ALA A 10 1.277 -1.230 -7.464 1.00 0.00 N ATOM 124 CA ALA A 10 -0.009 -1.899 -7.465 1.00 0.00 C ATOM 125 C ALA A 10 -0.027 -3.058 -8.452 1.00 0.00 C ATOM 126 O ALA A 10 -0.360 -4.178 -8.077 1.00 0.00 O ATOM 127 CB ALA A 10 -1.121 -0.894 -7.775 1.00 0.00 C ATOM 128 H ALA A 10 1.278 -0.234 -7.627 1.00 0.00 H ATOM 129 HA ALA A 10 -0.167 -2.287 -6.464 1.00 0.00 H ATOM 130 1HB ALA A 10 -1.122 -0.103 -7.026 1.00 0.00 H ATOM 131 2HB ALA A 10 -0.969 -0.453 -8.761 1.00 0.00 H ATOM 132 3HB ALA A 10 -2.086 -1.400 -7.755 1.00 0.00 H ATOM 133 N GLU A 11 0.350 -2.790 -9.706 1.00 0.00 N ATOM 134 CA GLU A 11 0.276 -3.765 -10.781 1.00 0.00 C ATOM 135 C GLU A 11 1.544 -4.620 -10.885 1.00 0.00 C ATOM 136 O GLU A 11 1.802 -5.195 -11.941 1.00 0.00 O ATOM 137 CB GLU A 11 -0.058 -3.058 -12.099 1.00 0.00 C ATOM 138 CG GLU A 11 -1.298 -2.158 -12.006 1.00 0.00 C ATOM 139 CD GLU A 11 -2.522 -2.924 -11.510 1.00 0.00 C ATOM 140 OE1 GLU A 11 -2.852 -2.761 -10.315 1.00 0.00 O ATOM 141 OE2 GLU A 11 -3.100 -3.665 -12.333 1.00 0.00 O ATOM 142 H GLU A 11 0.658 -1.856 -9.941 1.00 0.00 H ATOM 143 HA GLU A 11 -0.541 -4.455 -10.571 1.00 0.00 H ATOM 144 1HB GLU A 11 0.796 -2.458 -12.417 1.00 0.00 H ATOM 145 2HB GLU A 11 -0.253 -3.823 -12.848 1.00 0.00 H ATOM 146 1HG GLU A 11 -1.103 -1.317 -11.340 1.00 0.00 H ATOM 147 2HG GLU A 11 -1.513 -1.758 -12.998 1.00 0.00 H ATOM 148 N LYS A 12 2.318 -4.727 -9.797 1.00 0.00 N ATOM 149 CA LYS A 12 3.411 -5.680 -9.667 1.00 0.00 C ATOM 150 C LYS A 12 2.895 -6.853 -8.837 1.00 0.00 C ATOM 151 O LYS A 12 2.987 -8.002 -9.262 1.00 0.00 O ATOM 152 CB LYS A 12 4.633 -5.010 -9.025 1.00 0.00 C ATOM 153 CG LYS A 12 5.783 -5.999 -8.800 1.00 0.00 C ATOM 154 CD LYS A 12 7.015 -5.258 -8.272 1.00 0.00 C ATOM 155 CE LYS A 12 8.164 -6.238 -8.020 1.00 0.00 C ATOM 156 NZ LYS A 12 9.320 -5.557 -7.415 1.00 0.00 N ATOM 157 H LYS A 12 2.075 -4.203 -8.968 1.00 0.00 H ATOM 158 HA LYS A 12 3.717 -6.053 -10.646 1.00 0.00 H ATOM 159 1HB LYS A 12 4.985 -4.230 -9.698 1.00 0.00 H ATOM 160 2HB LYS A 12 4.361 -4.560 -8.070 1.00 0.00 H ATOM 161 1HG LYS A 12 5.485 -6.755 -8.072 1.00 0.00 H ATOM 162 2HG LYS A 12 6.031 -6.487 -9.743 1.00 0.00 H ATOM 163 1HD LYS A 12 7.333 -4.511 -9.001 1.00 0.00 H ATOM 164 2HD LYS A 12 6.759 -4.750 -7.341 1.00 0.00 H ATOM 165 1HE LYS A 12 7.833 -7.028 -7.346 1.00 0.00 H ATOM 166 2HE LYS A 12 8.471 -6.687 -8.965 1.00 0.00 H ATOM 167 1HZ LYS A 12 9.640 -4.823 -8.030 1.00 0.00 H ATOM 168 2HZ LYS A 12 9.048 -5.160 -6.527 1.00 0.00 H ATOM 169 3HZ LYS A 12 10.066 -6.223 -7.270 1.00 0.00 H ATOM 170 N TYR A 13 2.354 -6.547 -7.651 1.00 0.00 N ATOM 171 CA TYR A 13 1.880 -7.532 -6.691 1.00 0.00 C ATOM 172 C TYR A 13 0.374 -7.755 -6.840 1.00 0.00 C ATOM 173 O TYR A 13 -0.066 -8.893 -6.986 1.00 0.00 O ATOM 174 CB TYR A 13 2.232 -7.071 -5.273 1.00 0.00 C ATOM 175 CG TYR A 13 3.700 -6.743 -5.074 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.664 -7.766 -5.069 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.104 -5.403 -4.941 1.00 0.00 C ATOM 178 CE1 TYR A 13 6.026 -7.449 -4.915 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.464 -5.083 -4.793 1.00 0.00 C ATOM 180 CZ TYR A 13 6.426 -6.108 -4.778 1.00 0.00 C ATOM 181 OH TYR A 13 7.747 -5.798 -4.635 1.00 0.00 O ATOM 182 H TYR A 13 2.311 -5.576 -7.377 1.00 0.00 H ATOM 183 HA TYR A 13 2.386 -8.483 -6.860 1.00 0.00 H ATOM 184 1HB TYR A 13 1.645 -6.184 -5.041 1.00 0.00 H ATOM 185 2HB TYR A 13 1.950 -7.854 -4.568 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.363 -8.797 -5.183 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.362 -4.621 -4.952 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.762 -8.240 -4.907 1.00 0.00 H ATOM 189 HE2 TYR A 13 5.772 -4.051 -4.693 1.00 0.00 H ATOM 190 HH TYR A 13 8.315 -6.571 -4.611 1.00 0.00 H ATOM 191 N PHE A 14 -0.418 -6.675 -6.796 1.00 0.00 N ATOM 192 CA PHE A 14 -1.877 -6.737 -6.746 1.00 0.00 C ATOM 193 C PHE A 14 -2.485 -6.759 -8.158 1.00 0.00 C ATOM 194 O PHE A 14 -3.580 -6.235 -8.359 1.00 0.00 O ATOM 195 CB PHE A 14 -2.436 -5.544 -5.940 1.00 0.00 C ATOM 196 CG PHE A 14 -1.603 -5.021 -4.779 1.00 0.00 C ATOM 197 CD1 PHE A 14 -0.949 -5.896 -3.890 1.00 0.00 C ATOM 198 CD2 PHE A 14 -1.446 -3.631 -4.620 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.056 -5.384 -2.930 1.00 0.00 C ATOM 200 CE2 PHE A 14 -0.519 -3.120 -3.696 1.00 0.00 C ATOM 201 CZ PHE A 14 0.183 -4.000 -2.854 1.00 0.00 C ATOM 202 H PHE A 14 0.003 -5.757 -6.744 1.00 0.00 H ATOM 203 HA PHE A 14 -2.175 -7.651 -6.230 1.00 0.00 H ATOM 204 1HB PHE A 14 -2.567 -4.710 -6.631 1.00 0.00 H ATOM 205 2HB PHE A 14 -3.425 -5.812 -5.564 1.00 0.00 H ATOM 206 HD1 PHE A 14 -1.105 -6.962 -3.962 1.00 0.00 H ATOM 207 HD2 PHE A 14 -2.015 -2.947 -5.233 1.00 0.00 H ATOM 208 HE1 PHE A 14 0.465 -6.058 -2.266 1.00 0.00 H ATOM 209 HE2 PHE A 14 -0.340 -2.052 -3.647 1.00 0.00 H ATOM 210 HZ PHE A 14 0.900 -3.611 -2.146 1.00 0.00 H ATOM 211 N GLN A 15 -1.785 -7.344 -9.142 1.00 0.00 N ATOM 212 CA GLN A 15 -2.187 -7.301 -10.543 1.00 0.00 C ATOM 213 C GLN A 15 -3.234 -8.383 -10.828 1.00 0.00 C ATOM 214 O GLN A 15 -2.965 -9.365 -11.515 1.00 0.00 O ATOM 215 CB GLN A 15 -0.943 -7.416 -11.439 1.00 0.00 C ATOM 216 CG GLN A 15 -1.240 -6.932 -12.867 1.00 0.00 C ATOM 217 CD GLN A 15 0.008 -6.935 -13.751 1.00 0.00 C ATOM 218 OE1 GLN A 15 0.833 -7.840 -13.649 1.00 0.00 O ATOM 219 NE2 GLN A 15 0.143 -5.924 -14.621 1.00 0.00 N ATOM 220 H GLN A 15 -0.912 -7.800 -8.918 1.00 0.00 H ATOM 221 HA GLN A 15 -2.638 -6.326 -10.740 1.00 0.00 H ATOM 222 1HB GLN A 15 -0.157 -6.788 -11.023 1.00 0.00 H ATOM 223 2HB GLN A 15 -0.578 -8.444 -11.451 1.00 0.00 H ATOM 224 1HG GLN A 15 -1.988 -7.579 -13.327 1.00 0.00 H ATOM 225 2HG GLN A 15 -1.639 -5.919 -12.820 1.00 0.00 H ATOM 226 1HE2 GLN A 15 -0.568 -5.209 -14.665 1.00 0.00 H HETATM 227 N NH2 A 16 -4.444 -8.203 -10.294 1.00 0.00 N HETATM 228 1HN NH2 A 16 -5.173 -8.882 -10.453 1.00 0.00 H HETATM 229 2HN NH2 A 16 -4.612 -7.391 -9.714 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 1.282 -5.814 -15.520 1.00 0.00 C HETATM 232 C2 LNK A 17 1.286 -4.470 -16.262 1.00 0.00 C HETATM 233 C3 LNK A 17 1.481 -3.278 -15.314 1.00 0.00 C HETATM 234 C4 LNK A 17 1.882 -2.018 -16.089 1.00 0.00 C HETATM 235 C5 LNK A 17 2.346 -0.883 -15.166 1.00 0.00 C HETATM 236 H11 LNK A 17 1.229 -6.619 -16.254 1.00 0.00 H HETATM 237 H12 LNK A 17 2.210 -5.916 -14.955 1.00 0.00 H HETATM 238 H21 LNK A 17 2.115 -4.498 -16.970 1.00 0.00 H HETATM 239 H22 LNK A 17 0.358 -4.348 -16.821 1.00 0.00 H HETATM 240 H31 LNK A 17 0.549 -3.084 -14.787 1.00 0.00 H HETATM 241 H32 LNK A 17 2.265 -3.518 -14.595 1.00 0.00 H HETATM 242 H41 LNK A 17 1.052 -1.681 -16.711 1.00 0.00 H HETATM 243 H42 LNK A 17 2.722 -2.266 -16.740 1.00 0.00 H HETATM 244 H51 LNK A 17 3.081 -1.260 -14.453 1.00 0.00 H HETATM 245 H52 LNK A 17 2.823 -0.123 -15.788 1.00 0.00 H ENDMDL CONECT 1 2 3 CONECT 2 1 CONECT 3 1 4 5 6 CONECT 4 3 CONECT 5 3 CONECT 6 3 CONECT 72 235 CONECT 219 231 CONECT 227 228 229 CONECT 228 227 CONECT 229 227 CONECT 231 219 232 236 237 CONECT 232 231 233 238 239 CONECT 233 232 234 240 241 CONECT 234 233 235 242 243 CONECT 235 72 234 244 245 CONECT 236 231 CONECT 237 231 CONECT 238 232 CONECT 239 232 CONECT 240 233 CONECT 241 233 CONECT 242 234 CONECT 243 234 CONECT 244 235 CONECT 245 235 MASTER 80 0 3 1 0 0 0 6 4880 20 26 2 END