Browse entries in the PDBbind-CN Database
HEADER 5IAY_COMPLEX COMPND 5IAY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 152 LEU TYR LYS VAL ASN GLU TYR VAL ASP ALA ARG ASP THR SEQRES 2 A 152 ASN MET GLY ALA TRP PHE GLU ALA GLN VAL VAL ARG VAL SEQRES 3 A 152 THR ARG LYS ALA PRO SER ARG ASP GLU PRO CYS SER SER SEQRES 4 A 152 THR SER ARG PRO ALA LEU GLU GLU ASP VAL ILE TYR HIS SEQRES 5 A 152 VAL LYS TYR ASP ASP TYR PRO GLU ASN GLY VAL VAL GLN SEQRES 6 A 152 MET ASN SER ARG ASP VAL ARG ALA ARG ALA ARG THR ILE SEQRES 7 A 152 ILE LYS TRP GLN ASP LEU GLU VAL GLY GLN VAL VAL MET SEQRES 8 A 152 LEU ASN TYR ASN PRO ASP ASN PRO LYS GLU ARG GLY PHE SEQRES 9 A 152 TRP TYR ASP ALA GLU ILE SER ARG LYS ARG GLU THR ARG SEQRES 10 A 152 THR ALA ARG GLU LEU TYR ALA ASN VAL VAL LEU GLY ASP SEQRES 11 A 152 ASP SER LEU ASN ASP CYS ARG ILE ILE PHE VAL ASP GLU SEQRES 12 A 152 VAL PHE LYS ILE GLU ARG PRO GLY GLU HET THR A 153 234 ATOM 1 N LEU A 134 5.648 13.481 7.206 1.00 0.00 N ATOM 2 CA LEU A 134 5.810 12.258 6.373 1.00 0.00 C ATOM 3 C LEU A 134 5.689 11.015 7.260 1.00 0.00 C ATOM 4 O LEU A 134 4.641 10.728 7.803 1.00 0.00 O ATOM 5 CB LEU A 134 7.181 12.275 5.701 1.00 0.00 C ATOM 6 CG LEU A 134 7.363 13.585 4.932 1.00 0.00 C ATOM 7 CD1 LEU A 134 8.630 13.495 4.088 1.00 0.00 C ATOM 8 CD2 LEU A 134 6.163 13.820 4.011 1.00 0.00 C ATOM 9 HN3 LEU A 134 6.388 13.502 7.936 1.00 0.00 H ATOM 10 HN2 LEU A 134 4.712 13.468 7.660 1.00 0.00 H ATOM 11 HN1 LEU A 134 5.730 14.324 6.602 1.00 0.00 H ATOM 12 N TYR A 135 6.755 10.274 7.409 1.00 0.00 N ATOM 13 CA TYR A 135 6.703 9.052 8.256 1.00 0.00 C ATOM 14 C TYR A 135 7.461 9.307 9.561 1.00 0.00 C ATOM 15 O TYR A 135 8.673 9.400 9.576 1.00 0.00 O ATOM 16 CB TYR A 135 7.371 7.899 7.503 1.00 0.00 C ATOM 17 CG TYR A 135 6.833 7.851 6.093 1.00 0.00 C ATOM 18 CD1 TYR A 135 7.363 8.703 5.117 1.00 0.00 C ATOM 19 CD2 TYR A 135 5.800 6.967 5.765 1.00 0.00 C ATOM 20 CE1 TYR A 135 6.860 8.670 3.812 1.00 0.00 C ATOM 21 CE2 TYR A 135 5.295 6.934 4.460 1.00 0.00 C ATOM 22 CZ TYR A 135 5.826 7.785 3.482 1.00 0.00 C ATOM 23 OH TYR A 135 5.329 7.755 2.195 1.00 0.00 O ATOM 24 HH TYR A 135 5.452 6.849 1.816 1.00 0.00 H ATOM 25 H TYR A 135 7.642 10.539 6.934 1.00 0.00 H ATOM 26 N LYS A 136 6.754 9.413 10.656 1.00 0.00 N ATOM 27 CA LYS A 136 7.426 9.652 11.968 1.00 0.00 C ATOM 28 C LYS A 136 7.281 8.417 12.856 1.00 0.00 C ATOM 29 O LYS A 136 6.404 7.597 12.664 1.00 0.00 O ATOM 30 CB LYS A 136 6.840 10.876 12.690 1.00 0.00 C ATOM 31 CG LYS A 136 5.309 10.914 12.598 1.00 0.00 C ATOM 32 CD LYS A 136 4.707 10.259 13.841 1.00 0.00 C ATOM 33 CE LYS A 136 4.541 11.307 14.945 1.00 0.00 C ATOM 34 NZ LYS A 136 5.684 12.262 14.904 1.00 0.00 N ATOM 35 HZ1 LYS A 136 6.573 11.743 15.050 1.00 0.00 H ATOM 36 HZ2 LYS A 136 5.706 12.735 13.978 1.00 0.00 H ATOM 37 HZ3 LYS A 136 5.568 12.972 15.655 1.00 0.00 H ATOM 38 H LYS A 136 5.718 9.330 10.613 1.00 0.00 H ATOM 39 N VAL A 137 8.145 8.275 13.822 1.00 0.00 N ATOM 40 CA VAL A 137 8.075 7.091 14.723 1.00 0.00 C ATOM 41 C VAL A 137 6.668 6.971 15.312 1.00 0.00 C ATOM 42 O VAL A 137 6.067 7.946 15.708 1.00 0.00 O ATOM 43 CB VAL A 137 9.089 7.255 15.857 1.00 0.00 C ATOM 44 CG1 VAL A 137 9.111 5.987 16.711 1.00 0.00 C ATOM 45 CG2 VAL A 137 10.480 7.495 15.266 1.00 0.00 C ATOM 46 H VAL A 137 8.886 8.991 13.964 1.00 0.00 H ATOM 47 N ASN A 138 6.148 5.774 15.360 1.00 0.00 N ATOM 48 CA ASN A 138 4.776 5.550 15.910 1.00 0.00 C ATOM 49 C ASN A 138 3.733 6.057 14.911 1.00 0.00 C ATOM 50 O ASN A 138 2.617 6.375 15.270 1.00 0.00 O ATOM 51 CB ASN A 138 4.612 6.288 17.243 1.00 0.00 C ATOM 52 CG ASN A 138 5.906 6.175 18.053 1.00 0.00 C ATOM 53 OD1 ASN A 138 6.369 7.144 18.619 1.00 0.00 O ATOM 54 ND2 ASN A 138 6.512 5.021 18.133 1.00 0.00 N ATOM 55 HD22 ASN A 138 6.116 4.191 17.648 1.00 0.00 H ATOM 56 HD21 ASN A 138 7.391 4.932 18.682 1.00 0.00 H ATOM 57 H ASN A 138 6.697 4.963 15.010 1.00 0.00 H ATOM 58 N GLU A 139 4.083 6.115 13.655 1.00 0.00 N ATOM 59 CA GLU A 139 3.113 6.579 12.622 1.00 0.00 C ATOM 60 C GLU A 139 2.463 5.362 11.962 1.00 0.00 C ATOM 61 O GLU A 139 3.050 4.300 11.884 1.00 0.00 O ATOM 62 CB GLU A 139 3.850 7.403 11.563 1.00 0.00 C ATOM 63 CG GLU A 139 2.868 7.857 10.476 1.00 0.00 C ATOM 64 CD GLU A 139 1.807 8.777 11.085 1.00 0.00 C ATOM 65 OE1 GLU A 139 2.090 9.385 12.102 1.00 0.00 O ATOM 66 OE2 GLU A 139 0.728 8.856 10.522 1.00 0.00 O ATOM 67 H GLU A 139 5.044 5.836 13.373 1.00 0.00 H ATOM 68 N TYR A 140 1.256 5.503 11.485 1.00 0.00 N ATOM 69 CA TYR A 140 0.581 4.347 10.833 1.00 0.00 C ATOM 70 C TYR A 140 0.708 4.478 9.313 1.00 0.00 C ATOM 71 O TYR A 140 0.005 5.244 8.682 1.00 0.00 O ATOM 72 CB TYR A 140 -0.899 4.332 11.222 1.00 0.00 C ATOM 73 CG TYR A 140 -1.024 4.247 12.725 1.00 0.00 C ATOM 74 CD1 TYR A 140 -0.905 3.010 13.368 1.00 0.00 C ATOM 75 CD2 TYR A 140 -1.259 5.407 13.473 1.00 0.00 C ATOM 76 CE1 TYR A 140 -1.022 2.932 14.762 1.00 0.00 C ATOM 77 CE2 TYR A 140 -1.377 5.329 14.867 1.00 0.00 C ATOM 78 CZ TYR A 140 -1.258 4.091 15.511 1.00 0.00 C ATOM 79 OH TYR A 140 -1.373 4.013 16.883 1.00 0.00 O ATOM 80 HH TYR A 140 -1.264 3.072 17.169 1.00 0.00 H ATOM 81 H TYR A 140 0.768 6.418 11.560 1.00 0.00 H ATOM 82 N VAL A 141 1.600 3.730 8.726 1.00 0.00 N ATOM 83 CA VAL A 141 1.784 3.798 7.249 1.00 0.00 C ATOM 84 C VAL A 141 1.820 2.377 6.681 1.00 0.00 C ATOM 85 O VAL A 141 2.082 1.422 7.387 1.00 0.00 O ATOM 86 CB VAL A 141 3.096 4.518 6.930 1.00 0.00 C ATOM 87 CG1 VAL A 141 3.038 5.954 7.461 1.00 0.00 C ATOM 88 CG2 VAL A 141 4.257 3.778 7.597 1.00 0.00 C ATOM 89 H VAL A 141 2.186 3.083 9.291 1.00 0.00 H ATOM 90 N ASP A 142 1.555 2.227 5.414 1.00 0.00 N ATOM 91 CA ASP A 142 1.574 0.866 4.808 1.00 0.00 C ATOM 92 C ASP A 142 2.927 0.615 4.140 1.00 0.00 C ATOM 93 O ASP A 142 3.525 1.509 3.575 1.00 0.00 O ATOM 94 CB ASP A 142 0.463 0.759 3.760 1.00 0.00 C ATOM 95 CG ASP A 142 -0.900 0.840 4.448 1.00 0.00 C ATOM 96 OD1 ASP A 142 -0.936 0.742 5.663 1.00 0.00 O ATOM 97 OD2 ASP A 142 -1.886 1.001 3.746 1.00 0.00 O ATOM 98 H ASP A 142 1.331 3.056 4.827 1.00 0.00 H ATOM 99 N ALA A 143 3.404 -0.600 4.190 1.00 0.00 N ATOM 100 CA ALA A 143 4.711 -0.923 3.549 1.00 0.00 C ATOM 101 C ALA A 143 4.455 -1.895 2.394 1.00 0.00 C ATOM 102 O ALA A 143 3.625 -2.776 2.490 1.00 0.00 O ATOM 103 CB ALA A 143 5.645 -1.572 4.575 1.00 0.00 C ATOM 104 H ALA A 143 2.869 -1.346 4.679 1.00 0.00 H ATOM 105 N ARG A 144 5.144 -1.729 1.297 1.00 0.00 N ATOM 106 CA ARG A 144 4.917 -2.632 0.130 1.00 0.00 C ATOM 107 C ARG A 144 6.117 -3.552 -0.076 1.00 0.00 C ATOM 108 O ARG A 144 7.255 -3.145 0.046 1.00 0.00 O ATOM 109 CB ARG A 144 4.741 -1.790 -1.133 1.00 0.00 C ATOM 110 CG ARG A 144 4.291 -2.686 -2.291 1.00 0.00 C ATOM 111 CD ARG A 144 4.696 -2.045 -3.618 1.00 0.00 C ATOM 112 NE ARG A 144 6.146 -2.284 -3.864 1.00 0.00 N ATOM 113 CZ ARG A 144 6.818 -1.478 -4.638 1.00 0.00 C ATOM 114 NH1 ARG A 144 8.089 -1.687 -4.854 1.00 0.00 N ATOM 115 NH2 ARG A 144 6.221 -0.462 -5.198 1.00 0.00 N ATOM 116 HE ARG A 144 6.622 -3.094 -3.418 1.00 0.00 H ATOM 117 HH12 ARG A 144 8.624 -1.044 -5.471 1.00 0.00 H ATOM 118 HH11 ARG A 144 8.566 -2.497 -4.409 1.00 0.00 H ATOM 119 HH22 ARG A 144 6.757 0.181 -5.815 1.00 0.00 H ATOM 120 HH21 ARG A 144 5.209 -0.295 -5.027 1.00 0.00 H ATOM 121 H ARG A 144 5.850 -0.968 1.236 1.00 0.00 H ATOM 122 N ASP A 145 5.868 -4.783 -0.425 1.00 0.00 N ATOM 123 CA ASP A 145 6.990 -5.720 -0.683 1.00 0.00 C ATOM 124 C ASP A 145 7.310 -5.676 -2.178 1.00 0.00 C ATOM 125 O ASP A 145 6.544 -6.135 -2.994 1.00 0.00 O ATOM 126 CB ASP A 145 6.587 -7.140 -0.283 1.00 0.00 C ATOM 127 CG ASP A 145 7.792 -8.072 -0.429 1.00 0.00 C ATOM 128 OD1 ASP A 145 8.867 -7.575 -0.724 1.00 0.00 O ATOM 129 OD2 ASP A 145 7.619 -9.266 -0.245 1.00 0.00 O ATOM 130 H ASP A 145 4.885 -5.108 -0.523 1.00 0.00 H ATOM 131 N THR A 146 8.425 -5.111 -2.541 1.00 0.00 N ATOM 132 CA THR A 146 8.789 -5.019 -3.978 1.00 0.00 C ATOM 133 C THR A 146 8.788 -6.406 -4.631 1.00 0.00 C ATOM 134 O THR A 146 8.446 -6.556 -5.786 1.00 0.00 O ATOM 135 CB THR A 146 10.185 -4.411 -4.086 1.00 0.00 C ATOM 136 OG1 THR A 146 10.191 -3.126 -3.481 1.00 0.00 O ATOM 137 CG2 THR A 146 10.571 -4.292 -5.554 1.00 0.00 C ATOM 138 HG1 THR A 146 11.097 -2.733 -3.552 1.00 0.00 H ATOM 139 H THR A 146 9.065 -4.721 -1.820 1.00 0.00 H ATOM 140 N ASN A 147 9.194 -7.414 -3.913 1.00 0.00 N ATOM 141 CA ASN A 147 9.244 -8.782 -4.506 1.00 0.00 C ATOM 142 C ASN A 147 7.843 -9.254 -4.922 1.00 0.00 C ATOM 143 O ASN A 147 7.683 -9.898 -5.940 1.00 0.00 O ATOM 144 CB ASN A 147 9.818 -9.753 -3.474 1.00 0.00 C ATOM 145 CG ASN A 147 11.234 -9.312 -3.097 1.00 0.00 C ATOM 146 OD1 ASN A 147 12.018 -8.951 -3.952 1.00 0.00 O ATOM 147 ND2 ASN A 147 11.595 -9.321 -1.844 1.00 0.00 N ATOM 148 HD22 ASN A 147 10.924 -9.630 -1.112 1.00 0.00 H ATOM 149 HD21 ASN A 147 12.554 -9.019 -1.577 1.00 0.00 H ATOM 150 H ASN A 147 9.484 -7.265 -2.925 1.00 0.00 H ATOM 151 N MET A 148 6.832 -8.955 -4.149 1.00 0.00 N ATOM 152 CA MET A 148 5.454 -9.409 -4.516 1.00 0.00 C ATOM 153 C MET A 148 4.608 -8.214 -4.958 1.00 0.00 C ATOM 154 O MET A 148 3.567 -8.370 -5.567 1.00 0.00 O ATOM 155 CB MET A 148 4.796 -10.065 -3.301 1.00 0.00 C ATOM 156 CG MET A 148 5.609 -11.289 -2.879 1.00 0.00 C ATOM 157 SD MET A 148 4.726 -12.182 -1.575 1.00 0.00 S ATOM 158 CE MET A 148 4.676 -10.833 -0.370 1.00 0.00 C ATOM 159 H MET A 148 6.985 -8.403 -3.281 1.00 0.00 H ATOM 160 N GLY A 149 5.037 -7.026 -4.650 1.00 0.00 N ATOM 161 CA GLY A 149 4.251 -5.823 -5.042 1.00 0.00 C ATOM 162 C GLY A 149 2.943 -5.799 -4.249 1.00 0.00 C ATOM 163 O GLY A 149 1.941 -5.284 -4.703 1.00 0.00 O ATOM 164 H GLY A 149 5.930 -6.915 -4.129 1.00 0.00 H ATOM 165 N ALA A 150 2.941 -6.363 -3.069 1.00 0.00 N ATOM 166 CA ALA A 150 1.692 -6.382 -2.254 1.00 0.00 C ATOM 167 C ALA A 150 1.777 -5.343 -1.134 1.00 0.00 C ATOM 168 O ALA A 150 2.831 -5.094 -0.582 1.00 0.00 O ATOM 169 CB ALA A 150 1.509 -7.773 -1.641 1.00 0.00 C ATOM 170 H ALA A 150 3.810 -6.798 -2.699 1.00 0.00 H ATOM 171 N TRP A 151 0.669 -4.740 -0.791 1.00 0.00 N ATOM 172 CA TRP A 151 0.674 -3.720 0.297 1.00 0.00 C ATOM 173 C TRP A 151 -0.028 -4.290 1.533 1.00 0.00 C ATOM 174 O TRP A 151 -1.038 -4.959 1.431 1.00 0.00 O ATOM 175 CB TRP A 151 -0.075 -2.470 -0.174 1.00 0.00 C ATOM 176 CG TRP A 151 0.695 -1.798 -1.264 1.00 0.00 C ATOM 177 CD1 TRP A 151 0.754 -2.218 -2.548 1.00 0.00 C ATOM 178 CD2 TRP A 151 1.510 -0.593 -1.190 1.00 0.00 C ATOM 179 NE1 TRP A 151 1.556 -1.350 -3.266 1.00 0.00 N ATOM 180 CE2 TRP A 151 2.045 -0.331 -2.473 1.00 0.00 C ATOM 181 CE3 TRP A 151 1.836 0.290 -0.144 1.00 0.00 C ATOM 182 CZ2 TRP A 151 2.873 0.767 -2.711 1.00 0.00 C ATOM 183 CZ3 TRP A 151 2.668 1.396 -0.380 1.00 0.00 C ATOM 184 CH2 TRP A 151 3.185 1.634 -1.661 1.00 0.00 C ATOM 185 HE1 TRP A 151 1.765 -1.452 -4.280 1.00 0.00 H ATOM 186 H TRP A 151 -0.220 -4.973 -1.279 1.00 0.00 H ATOM 187 N PHE A 152 0.493 -4.028 2.698 1.00 0.00 N ATOM 188 CA PHE A 152 -0.148 -4.550 3.939 1.00 0.00 C ATOM 189 C PHE A 152 -0.016 -3.512 5.057 1.00 0.00 C ATOM 190 O PHE A 152 0.839 -2.650 5.018 1.00 0.00 O ATOM 191 CB PHE A 152 0.534 -5.853 4.358 1.00 0.00 C ATOM 192 CG PHE A 152 1.959 -5.858 3.864 1.00 0.00 C ATOM 193 CD1 PHE A 152 2.892 -4.964 4.402 1.00 0.00 C ATOM 194 CD2 PHE A 152 2.346 -6.755 2.861 1.00 0.00 C ATOM 195 CE1 PHE A 152 4.213 -4.969 3.936 1.00 0.00 C ATOM 196 CE2 PHE A 152 3.665 -6.760 2.397 1.00 0.00 C ATOM 197 CZ PHE A 152 4.599 -5.868 2.934 1.00 0.00 C ATOM 198 H PHE A 152 1.358 -3.454 2.763 1.00 0.00 H ATOM 199 N GLU A 153 -0.857 -3.584 6.054 1.00 0.00 N ATOM 200 CA GLU A 153 -0.773 -2.597 7.168 1.00 0.00 C ATOM 201 C GLU A 153 0.609 -2.683 7.821 1.00 0.00 C ATOM 202 O GLU A 153 1.134 -3.755 8.048 1.00 0.00 O ATOM 203 CB GLU A 153 -1.852 -2.910 8.211 1.00 0.00 C ATOM 204 CG GLU A 153 -3.236 -2.736 7.583 1.00 0.00 C ATOM 205 CD GLU A 153 -4.318 -2.962 8.640 1.00 0.00 C ATOM 206 OE1 GLU A 153 -5.429 -2.499 8.433 1.00 0.00 O ATOM 207 OE2 GLU A 153 -4.024 -3.601 9.635 1.00 0.00 O ATOM 208 H GLU A 153 -1.583 -4.328 6.071 1.00 0.00 H ATOM 209 N ALA A 154 1.201 -1.560 8.130 1.00 0.00 N ATOM 210 CA ALA A 154 2.547 -1.584 8.768 1.00 0.00 C ATOM 211 C ALA A 154 2.679 -0.400 9.727 1.00 0.00 C ATOM 212 O ALA A 154 2.050 0.626 9.553 1.00 0.00 O ATOM 213 CB ALA A 154 3.626 -1.488 7.688 1.00 0.00 C ATOM 214 H ALA A 154 0.734 -0.652 7.931 1.00 0.00 H ATOM 215 N GLN A 155 3.496 -0.536 10.737 1.00 0.00 N ATOM 216 CA GLN A 155 3.679 0.575 11.714 1.00 0.00 C ATOM 217 C GLN A 155 5.130 1.059 11.666 1.00 0.00 C ATOM 218 O GLN A 155 6.027 0.323 11.306 1.00 0.00 O ATOM 219 CB GLN A 155 3.358 0.077 13.124 1.00 0.00 C ATOM 220 CG GLN A 155 3.433 1.248 14.104 1.00 0.00 C ATOM 221 CD GLN A 155 3.092 0.763 15.513 1.00 0.00 C ATOM 222 OE1 GLN A 155 2.671 -0.363 15.696 1.00 0.00 O ATOM 223 NE2 GLN A 155 3.258 1.570 16.525 1.00 0.00 N ATOM 224 HE22 GLN A 155 3.618 2.533 16.369 1.00 0.00 H ATOM 225 HE21 GLN A 155 3.030 1.250 17.488 1.00 0.00 H ATOM 226 H GLN A 155 4.022 -1.425 10.860 1.00 0.00 H ATOM 227 N VAL A 156 5.368 2.289 12.027 1.00 0.00 N ATOM 228 CA VAL A 156 6.763 2.813 12.002 1.00 0.00 C ATOM 229 C VAL A 156 7.385 2.635 13.386 1.00 0.00 C ATOM 230 O VAL A 156 6.795 2.985 14.389 1.00 0.00 O ATOM 231 CB VAL A 156 6.743 4.299 11.642 1.00 0.00 C ATOM 232 CG1 VAL A 156 8.177 4.800 11.460 1.00 0.00 C ATOM 233 CG2 VAL A 156 5.962 4.498 10.343 1.00 0.00 C ATOM 234 H VAL A 156 4.586 2.903 12.332 1.00 0.00 H ATOM 235 N VAL A 157 8.570 2.088 13.450 1.00 0.00 N ATOM 236 CA VAL A 157 9.224 1.881 14.772 1.00 0.00 C ATOM 237 C VAL A 157 10.384 2.866 14.944 1.00 0.00 C ATOM 238 O VAL A 157 10.560 3.446 15.997 1.00 0.00 O ATOM 239 CB VAL A 157 9.747 0.443 14.857 1.00 0.00 C ATOM 240 CG1 VAL A 157 10.039 -0.079 13.449 1.00 0.00 C ATOM 241 CG2 VAL A 157 11.032 0.406 15.690 1.00 0.00 C ATOM 242 H VAL A 157 9.056 1.797 12.578 1.00 0.00 H ATOM 243 N ARG A 158 11.186 3.058 13.930 1.00 0.00 N ATOM 244 CA ARG A 158 12.331 4.004 14.075 1.00 0.00 C ATOM 245 C ARG A 158 12.721 4.592 12.716 1.00 0.00 C ATOM 246 O ARG A 158 12.563 3.967 11.687 1.00 0.00 O ATOM 247 CB ARG A 158 13.532 3.258 14.663 1.00 0.00 C ATOM 248 CG ARG A 158 14.679 4.241 14.906 1.00 0.00 C ATOM 249 CD ARG A 158 15.903 3.483 15.423 1.00 0.00 C ATOM 250 NE ARG A 158 16.981 4.453 15.764 1.00 0.00 N ATOM 251 CZ ARG A 158 16.881 5.189 16.836 1.00 0.00 C ATOM 252 NH1 ARG A 158 17.826 6.038 17.136 1.00 0.00 N ATOM 253 NH2 ARG A 158 15.835 5.079 17.608 1.00 0.00 N ATOM 254 HE ARG A 158 17.813 4.543 15.147 1.00 0.00 H ATOM 255 HH12 ARG A 158 17.746 6.625 17.991 1.00 0.00 H ATOM 256 HH11 ARG A 158 18.659 6.128 16.520 1.00 0.00 H ATOM 257 HH22 ARG A 158 15.756 5.666 18.463 1.00 0.00 H ATOM 258 HH21 ARG A 158 15.081 4.404 17.369 1.00 0.00 H ATOM 259 H ARG A 158 11.028 2.557 13.032 1.00 0.00 H ATOM 260 N VAL A 159 13.259 5.784 12.718 1.00 0.00 N ATOM 261 CA VAL A 159 13.698 6.419 11.444 1.00 0.00 C ATOM 262 C VAL A 159 15.188 6.726 11.560 1.00 0.00 C ATOM 263 O VAL A 159 15.623 7.366 12.497 1.00 0.00 O ATOM 264 CB VAL A 159 12.927 7.721 11.215 1.00 0.00 C ATOM 265 CG1 VAL A 159 13.369 8.348 9.889 1.00 0.00 C ATOM 266 CG2 VAL A 159 11.428 7.422 11.164 1.00 0.00 C ATOM 267 H VAL A 159 13.381 6.293 13.617 1.00 0.00 H ATOM 268 N THR A 160 15.981 6.272 10.634 1.00 0.00 N ATOM 269 CA THR A 160 17.439 6.542 10.730 1.00 0.00 C ATOM 270 C THR A 160 18.038 6.709 9.333 1.00 0.00 C ATOM 271 O THR A 160 17.395 6.461 8.334 1.00 0.00 O ATOM 272 CB THR A 160 18.116 5.373 11.448 1.00 0.00 C ATOM 273 OG1 THR A 160 17.161 4.706 12.260 1.00 0.00 O ATOM 274 CG2 THR A 160 19.252 5.898 12.327 1.00 0.00 C ATOM 275 HG1 THR A 160 16.797 5.340 12.927 1.00 0.00 H ATOM 276 H THR A 160 15.599 5.726 9.836 1.00 0.00 H ATOM 277 N ARG A 161 19.272 7.129 9.262 1.00 0.00 N ATOM 278 CA ARG A 161 19.928 7.320 7.939 1.00 0.00 C ATOM 279 C ARG A 161 21.402 6.929 8.048 1.00 0.00 C ATOM 280 O ARG A 161 21.988 6.982 9.112 1.00 0.00 O ATOM 281 CB ARG A 161 19.821 8.791 7.540 1.00 0.00 C ATOM 282 CG ARG A 161 20.646 9.634 8.508 1.00 0.00 C ATOM 283 CD ARG A 161 20.193 11.093 8.425 1.00 0.00 C ATOM 284 NE ARG A 161 21.124 11.949 9.210 1.00 0.00 N ATOM 285 CZ ARG A 161 20.764 13.154 9.561 1.00 0.00 C ATOM 286 NH1 ARG A 161 21.581 13.906 10.249 1.00 0.00 N ATOM 287 NH2 ARG A 161 19.588 13.607 9.225 1.00 0.00 N ATOM 288 HE ARG A 161 22.061 11.587 9.479 1.00 0.00 H ATOM 289 HH12 ARG A 161 21.294 14.866 10.528 1.00 0.00 H ATOM 290 HH11 ARG A 161 22.519 13.545 10.517 1.00 0.00 H ATOM 291 HH22 ARG A 161 19.301 14.567 9.505 1.00 0.00 H ATOM 292 HH21 ARG A 161 18.937 13.008 8.678 1.00 0.00 H ATOM 293 H ARG A 161 19.800 7.331 10.135 1.00 0.00 H ATOM 294 N LYS A 162 22.008 6.542 6.958 1.00 0.00 N ATOM 295 CA LYS A 162 23.446 6.151 7.003 1.00 0.00 C ATOM 296 C LYS A 162 24.285 7.223 6.305 1.00 0.00 C ATOM 297 O LYS A 162 23.936 7.706 5.247 1.00 0.00 O ATOM 298 CB LYS A 162 23.633 4.811 6.282 1.00 0.00 C ATOM 299 CG LYS A 162 22.707 3.759 6.900 1.00 0.00 C ATOM 300 CD LYS A 162 23.221 3.352 8.286 1.00 0.00 C ATOM 301 CE LYS A 162 22.161 3.676 9.340 1.00 0.00 C ATOM 302 NZ LYS A 162 21.006 2.748 9.185 1.00 0.00 N ATOM 303 HZ1 LYS A 162 20.597 2.861 8.235 1.00 0.00 H ATOM 304 HZ2 LYS A 162 21.331 1.768 9.310 1.00 0.00 H ATOM 305 HZ3 LYS A 162 20.286 2.970 9.902 1.00 0.00 H ATOM 306 H LYS A 162 21.487 6.507 6.058 1.00 0.00 H ATOM 307 N ALA A 163 25.391 7.594 6.892 1.00 0.00 N ATOM 308 CA ALA A 163 26.262 8.632 6.271 1.00 0.00 C ATOM 309 C ALA A 163 27.616 8.011 5.919 1.00 0.00 C ATOM 310 O ALA A 163 27.971 6.957 6.407 1.00 0.00 O ATOM 311 CB ALA A 163 26.465 9.782 7.258 1.00 0.00 C ATOM 312 H ALA A 163 25.666 7.163 7.798 1.00 0.00 H ATOM 313 N PRO A 164 28.364 8.666 5.073 1.00 0.00 N ATOM 314 CA PRO A 164 29.707 8.186 4.634 1.00 0.00 C ATOM 315 C PRO A 164 30.760 8.330 5.731 1.00 0.00 C ATOM 316 O PRO A 164 30.712 9.241 6.534 1.00 0.00 O ATOM 317 CB PRO A 164 30.048 9.102 3.463 1.00 0.00 C ATOM 318 CG PRO A 164 29.315 10.364 3.752 1.00 0.00 C ATOM 319 CD PRO A 164 28.016 9.948 4.441 1.00 0.00 C ATOM 320 N SER A 165 31.719 7.451 5.768 1.00 0.00 N ATOM 321 CA SER A 165 32.774 7.562 6.810 1.00 0.00 C ATOM 322 C SER A 165 33.581 8.836 6.565 1.00 0.00 C ATOM 323 O SER A 165 33.979 9.523 7.485 1.00 0.00 O ATOM 324 CB SER A 165 33.695 6.344 6.746 1.00 0.00 C ATOM 325 OG SER A 165 32.919 5.160 6.870 1.00 0.00 O ATOM 326 HG SER A 165 33.515 4.370 6.829 1.00 0.00 H ATOM 327 H SER A 165 31.747 6.677 5.074 1.00 0.00 H ATOM 328 N ARG A 166 33.819 9.157 5.323 1.00 0.00 N ATOM 329 CA ARG A 166 34.592 10.388 4.998 1.00 0.00 C ATOM 330 C ARG A 166 34.133 10.913 3.638 1.00 0.00 C ATOM 331 O ARG A 166 33.392 11.871 3.546 1.00 0.00 O ATOM 332 CB ARG A 166 36.087 10.057 4.929 1.00 0.00 C ATOM 333 CG ARG A 166 36.579 9.584 6.299 1.00 0.00 C ATOM 334 CD ARG A 166 38.096 9.388 6.252 1.00 0.00 C ATOM 335 NE ARG A 166 38.551 8.716 7.502 1.00 0.00 N ATOM 336 CZ ARG A 166 38.822 9.425 8.564 1.00 0.00 C ATOM 337 NH1 ARG A 166 39.226 8.834 9.656 1.00 0.00 N ATOM 338 NH2 ARG A 166 38.689 10.723 8.536 1.00 0.00 N ATOM 339 HE ARG A 166 38.653 7.681 7.528 1.00 0.00 H ATOM 340 HH12 ARG A 166 39.442 9.398 10.503 1.00 0.00 H ATOM 341 HH11 ARG A 166 39.332 7.800 9.679 1.00 0.00 H ATOM 342 HH22 ARG A 166 38.905 11.286 9.383 1.00 0.00 H ATOM 343 HH21 ARG A 166 38.367 11.194 7.667 1.00 0.00 H ATOM 344 H ARG A 166 33.467 8.550 4.556 1.00 0.00 H ATOM 345 N ASP A 167 34.566 10.284 2.580 1.00 0.00 N ATOM 346 CA ASP A 167 34.155 10.735 1.221 1.00 0.00 C ATOM 347 C ASP A 167 33.845 9.512 0.351 1.00 0.00 C ATOM 348 O ASP A 167 33.706 9.618 -0.851 1.00 0.00 O ATOM 349 CB ASP A 167 35.291 11.542 0.586 1.00 0.00 C ATOM 350 CG ASP A 167 36.522 10.650 0.405 1.00 0.00 C ATOM 351 OD1 ASP A 167 36.383 9.446 0.537 1.00 0.00 O ATOM 352 OD2 ASP A 167 37.583 11.189 0.137 1.00 0.00 O ATOM 353 H ASP A 167 35.199 9.466 2.686 1.00 0.00 H ATOM 354 N GLU A 168 33.748 8.354 0.949 1.00 0.00 N ATOM 355 CA GLU A 168 33.459 7.122 0.158 1.00 0.00 C ATOM 356 C GLU A 168 32.233 6.403 0.734 1.00 0.00 C ATOM 357 O GLU A 168 32.353 5.367 1.356 1.00 0.00 O ATOM 358 CB GLU A 168 34.668 6.186 0.225 1.00 0.00 C ATOM 359 CG GLU A 168 35.624 6.504 -0.927 1.00 0.00 C ATOM 360 CD GLU A 168 36.802 5.528 -0.898 1.00 0.00 C ATOM 361 OE1 GLU A 168 37.397 5.318 -1.942 1.00 0.00 O ATOM 362 OE2 GLU A 168 37.088 5.007 0.168 1.00 0.00 O ATOM 363 H GLU A 168 33.873 8.291 1.980 1.00 0.00 H ATOM 364 N PRO A 169 31.063 6.944 0.518 1.00 0.00 N ATOM 365 CA PRO A 169 29.800 6.334 1.016 1.00 0.00 C ATOM 366 C PRO A 169 29.694 4.855 0.630 1.00 0.00 C ATOM 367 O PRO A 169 30.116 4.453 -0.436 1.00 0.00 O ATOM 368 CB PRO A 169 28.685 7.133 0.335 1.00 0.00 C ATOM 369 CG PRO A 169 29.308 8.388 -0.194 1.00 0.00 C ATOM 370 CD PRO A 169 30.827 8.195 -0.216 1.00 0.00 C ATOM 371 N CYS A 170 29.134 4.043 1.483 1.00 0.00 N ATOM 372 CA CYS A 170 29.008 2.596 1.153 1.00 0.00 C ATOM 373 C CYS A 170 28.214 2.443 -0.146 1.00 0.00 C ATOM 374 O CYS A 170 28.534 1.625 -0.986 1.00 0.00 O ATOM 375 CB CYS A 170 28.277 1.873 2.286 1.00 0.00 C ATOM 376 SG CYS A 170 29.269 1.963 3.798 1.00 0.00 S ATOM 377 H CYS A 170 28.777 4.404 2.390 1.00 0.00 H ATOM 378 N SER A 171 27.185 3.229 -0.320 1.00 0.00 N ATOM 379 CA SER A 171 26.373 3.134 -1.566 1.00 0.00 C ATOM 380 C SER A 171 25.016 3.803 -1.342 1.00 0.00 C ATOM 381 O SER A 171 24.023 3.143 -1.101 1.00 0.00 O ATOM 382 CB SER A 171 26.161 1.664 -1.929 1.00 0.00 C ATOM 383 OG SER A 171 24.895 1.515 -2.560 1.00 0.00 O ATOM 384 HG SER A 171 24.182 1.811 -1.940 1.00 0.00 H ATOM 385 H SER A 171 26.932 3.922 0.413 1.00 0.00 H ATOM 386 N SER A 172 24.962 5.107 -1.423 1.00 0.00 N ATOM 387 CA SER A 172 23.668 5.818 -1.217 1.00 0.00 C ATOM 388 C SER A 172 23.407 6.753 -2.400 1.00 0.00 C ATOM 389 O SER A 172 24.323 7.266 -3.013 1.00 0.00 O ATOM 390 CB SER A 172 23.738 6.638 0.072 1.00 0.00 C ATOM 391 OG SER A 172 24.710 7.665 -0.077 1.00 0.00 O ATOM 392 HG SER A 172 24.454 8.253 -0.831 1.00 0.00 H ATOM 393 H SER A 172 25.824 5.650 -1.632 1.00 0.00 H ATOM 394 N THR A 173 22.163 6.982 -2.726 1.00 0.00 N ATOM 395 CA THR A 173 21.848 7.885 -3.868 1.00 0.00 C ATOM 396 C THR A 173 22.381 9.288 -3.568 1.00 0.00 C ATOM 397 O THR A 173 22.925 9.953 -4.427 1.00 0.00 O ATOM 398 CB THR A 173 20.330 7.945 -4.064 1.00 0.00 C ATOM 399 OG1 THR A 173 19.818 6.624 -4.172 1.00 0.00 O ATOM 400 CG2 THR A 173 20.004 8.722 -5.342 1.00 0.00 C ATOM 401 HG1 THR A 173 18.837 6.661 -4.299 1.00 0.00 H ATOM 402 H THR A 173 21.393 6.534 -2.189 1.00 0.00 H ATOM 403 N SER A 174 22.228 9.745 -2.355 1.00 0.00 N ATOM 404 CA SER A 174 22.725 11.103 -2.000 1.00 0.00 C ATOM 405 C SER A 174 23.106 11.136 -0.518 1.00 0.00 C ATOM 406 O SER A 174 22.726 10.275 0.250 1.00 0.00 O ATOM 407 CB SER A 174 21.626 12.133 -2.266 1.00 0.00 C ATOM 408 OG SER A 174 20.578 11.956 -1.321 1.00 0.00 O ATOM 409 HG SER A 174 19.866 12.622 -1.492 1.00 0.00 H ATOM 410 H SER A 174 21.758 9.160 -1.635 1.00 0.00 H ATOM 411 N ARG A 175 23.852 12.126 -0.109 1.00 0.00 N ATOM 412 CA ARG A 175 24.253 12.212 1.324 1.00 0.00 C ATOM 413 C ARG A 175 23.019 12.529 2.176 1.00 0.00 C ATOM 414 O ARG A 175 22.117 13.211 1.732 1.00 0.00 O ATOM 415 CB ARG A 175 25.283 13.331 1.497 1.00 0.00 C ATOM 416 CG ARG A 175 24.594 14.687 1.339 1.00 0.00 C ATOM 417 CD ARG A 175 25.650 15.781 1.178 1.00 0.00 C ATOM 418 NE ARG A 175 25.129 17.060 1.737 1.00 0.00 N ATOM 419 CZ ARG A 175 24.950 17.186 3.024 1.00 0.00 C ATOM 420 NH1 ARG A 175 24.493 18.306 3.513 1.00 0.00 N ATOM 421 NH2 ARG A 175 25.230 16.191 3.822 1.00 0.00 N ATOM 422 HE ARG A 175 24.908 17.853 1.101 1.00 0.00 H ATOM 423 HH12 ARG A 175 24.351 18.406 4.538 1.00 0.00 H ATOM 424 HH11 ARG A 175 24.271 19.099 2.877 1.00 0.00 H ATOM 425 HH22 ARG A 175 25.088 16.291 4.847 1.00 0.00 H ATOM 426 HH21 ARG A 175 25.595 15.299 3.432 1.00 0.00 H ATOM 427 H ARG A 175 24.166 12.854 -0.782 1.00 0.00 H ATOM 428 N PRO A 176 22.974 12.048 3.394 1.00 0.00 N ATOM 429 CA PRO A 176 21.823 12.304 4.304 1.00 0.00 C ATOM 430 C PRO A 176 21.597 13.800 4.531 1.00 0.00 C ATOM 431 O PRO A 176 22.530 14.569 4.653 1.00 0.00 O ATOM 432 CB PRO A 176 22.205 11.620 5.622 1.00 0.00 C ATOM 433 CG PRO A 176 23.655 11.277 5.518 1.00 0.00 C ATOM 434 CD PRO A 176 24.001 11.213 4.033 1.00 0.00 C ATOM 435 N ALA A 177 20.364 14.218 4.586 1.00 0.00 N ATOM 436 CA ALA A 177 20.078 15.664 4.805 1.00 0.00 C ATOM 437 C ALA A 177 18.585 15.922 4.599 1.00 0.00 C ATOM 438 O ALA A 177 17.949 16.607 5.374 1.00 0.00 O ATOM 439 CB ALA A 177 20.883 16.495 3.805 1.00 0.00 C ATOM 440 H ALA A 177 19.580 13.543 4.477 1.00 0.00 H ATOM 441 N LEU A 178 18.023 15.373 3.559 1.00 0.00 N ATOM 442 CA LEU A 178 16.571 15.577 3.295 1.00 0.00 C ATOM 443 C LEU A 178 15.774 14.449 3.948 1.00 0.00 C ATOM 444 O LEU A 178 16.268 13.355 4.135 1.00 0.00 O ATOM 445 CB LEU A 178 16.316 15.572 1.787 1.00 0.00 C ATOM 446 CG LEU A 178 17.194 16.627 1.116 1.00 0.00 C ATOM 447 CD1 LEU A 178 16.882 16.674 -0.381 1.00 0.00 C ATOM 448 CD2 LEU A 178 16.908 17.996 1.738 1.00 0.00 C ATOM 449 H LEU A 178 18.590 14.790 2.911 1.00 0.00 H ATOM 450 N GLU A 179 14.544 14.702 4.295 1.00 0.00 N ATOM 451 CA GLU A 179 13.722 13.638 4.932 1.00 0.00 C ATOM 452 C GLU A 179 13.679 12.422 4.005 1.00 0.00 C ATOM 453 O GLU A 179 13.667 11.292 4.447 1.00 0.00 O ATOM 454 CB GLU A 179 12.302 14.159 5.164 1.00 0.00 C ATOM 455 CG GLU A 179 12.339 15.318 6.164 1.00 0.00 C ATOM 456 CD GLU A 179 10.915 15.799 6.445 1.00 0.00 C ATOM 457 OE1 GLU A 179 10.749 16.600 7.349 1.00 0.00 O ATOM 458 OE2 GLU A 179 10.015 15.359 5.749 1.00 0.00 O ATOM 459 H GLU A 179 14.138 15.645 4.127 1.00 0.00 H ATOM 460 N GLU A 180 13.667 12.645 2.722 1.00 0.00 N ATOM 461 CA GLU A 180 13.639 11.502 1.766 1.00 0.00 C ATOM 462 C GLU A 180 15.032 10.868 1.697 1.00 0.00 C ATOM 463 O GLU A 180 15.204 9.773 1.198 1.00 0.00 O ATOM 464 CB GLU A 180 13.229 12.007 0.378 1.00 0.00 C ATOM 465 CG GLU A 180 14.369 12.824 -0.237 1.00 0.00 C ATOM 466 CD GLU A 180 13.885 13.477 -1.534 1.00 0.00 C ATOM 467 OE1 GLU A 180 14.637 14.254 -2.098 1.00 0.00 O ATOM 468 OE2 GLU A 180 12.772 13.188 -1.940 1.00 0.00 O ATOM 469 H GLU A 180 13.677 13.621 2.364 1.00 0.00 H ATOM 470 N ASP A 181 16.027 11.558 2.187 1.00 0.00 N ATOM 471 CA ASP A 181 17.414 11.011 2.144 1.00 0.00 C ATOM 472 C ASP A 181 17.699 10.194 3.406 1.00 0.00 C ATOM 473 O ASP A 181 18.840 9.962 3.755 1.00 0.00 O ATOM 474 CB ASP A 181 18.413 12.166 2.050 1.00 0.00 C ATOM 475 CG ASP A 181 18.271 12.854 0.691 1.00 0.00 C ATOM 476 OD1 ASP A 181 17.600 12.300 -0.164 1.00 0.00 O ATOM 477 OD2 ASP A 181 18.834 13.924 0.530 1.00 0.00 O ATOM 478 H ASP A 181 15.851 12.492 2.609 1.00 0.00 H ATOM 479 N VAL A 182 16.676 9.755 4.093 1.00 0.00 N ATOM 480 CA VAL A 182 16.895 8.951 5.333 1.00 0.00 C ATOM 481 C VAL A 182 16.230 7.584 5.179 1.00 0.00 C ATOM 482 O VAL A 182 15.477 7.345 4.257 1.00 0.00 O ATOM 483 CB VAL A 182 16.298 9.666 6.550 1.00 0.00 C ATOM 484 CG1 VAL A 182 16.885 11.073 6.660 1.00 0.00 C ATOM 485 CG2 VAL A 182 14.778 9.753 6.408 1.00 0.00 C ATOM 486 H VAL A 182 15.708 9.966 3.775 1.00 0.00 H ATOM 487 N ILE A 183 16.515 6.684 6.076 1.00 0.00 N ATOM 488 CA ILE A 183 15.917 5.325 5.989 1.00 0.00 C ATOM 489 C ILE A 183 14.820 5.203 7.047 1.00 0.00 C ATOM 490 O ILE A 183 14.926 5.750 8.126 1.00 0.00 O ATOM 491 CB ILE A 183 17.001 4.281 6.260 1.00 0.00 C ATOM 492 CG1 ILE A 183 18.190 4.534 5.331 1.00 0.00 C ATOM 493 CG2 ILE A 183 16.442 2.880 6.000 1.00 0.00 C ATOM 494 CD1 ILE A 183 19.348 3.617 5.726 1.00 0.00 C ATOM 495 H ILE A 183 17.163 6.916 6.856 1.00 0.00 H ATOM 496 N TYR A 184 13.762 4.503 6.739 1.00 0.00 N ATOM 497 CA TYR A 184 12.648 4.360 7.719 1.00 0.00 C ATOM 498 C TYR A 184 12.504 2.894 8.120 1.00 0.00 C ATOM 499 O TYR A 184 12.621 2.001 7.305 1.00 0.00 O ATOM 500 CB TYR A 184 11.345 4.834 7.075 1.00 0.00 C ATOM 501 CG TYR A 184 11.485 6.274 6.647 1.00 0.00 C ATOM 502 CD1 TYR A 184 11.205 7.303 7.553 1.00 0.00 C ATOM 503 CD2 TYR A 184 11.894 6.580 5.345 1.00 0.00 C ATOM 504 CE1 TYR A 184 11.334 8.639 7.157 1.00 0.00 C ATOM 505 CE2 TYR A 184 12.024 7.917 4.947 1.00 0.00 C ATOM 506 CZ TYR A 184 11.743 8.946 5.853 1.00 0.00 C ATOM 507 OH TYR A 184 11.870 10.264 5.462 1.00 0.00 O ATOM 508 HH TYR A 184 12.805 10.436 5.186 1.00 0.00 H ATOM 509 H TYR A 184 13.696 4.044 5.808 1.00 0.00 H ATOM 510 N HIS A 185 12.247 2.641 9.374 1.00 0.00 N ATOM 511 CA HIS A 185 12.090 1.236 9.835 1.00 0.00 C ATOM 512 C HIS A 185 10.609 0.970 10.100 1.00 0.00 C ATOM 513 O HIS A 185 10.004 1.591 10.953 1.00 0.00 O ATOM 514 CB HIS A 185 12.876 1.033 11.134 1.00 0.00 C ATOM 515 CG HIS A 185 14.331 1.358 10.916 1.00 0.00 C ATOM 516 ND1 HIS A 185 15.348 0.548 11.402 1.00 0.00 N ATOM 517 CD2 HIS A 185 14.959 2.403 10.279 1.00 0.00 C ATOM 518 CE1 HIS A 185 16.520 1.111 11.054 1.00 0.00 C ATOM 519 NE2 HIS A 185 16.336 2.241 10.370 1.00 0.00 N ATOM 520 H HIS A 185 12.152 3.424 10.052 1.00 0.00 H ATOM 521 N VAL A 186 10.020 0.051 9.380 1.00 0.00 N ATOM 522 CA VAL A 186 8.578 -0.256 9.590 1.00 0.00 C ATOM 523 C VAL A 186 8.407 -1.757 9.812 1.00 0.00 C ATOM 524 O VAL A 186 9.194 -2.557 9.346 1.00 0.00 O ATOM 525 CB VAL A 186 7.782 0.168 8.355 1.00 0.00 C ATOM 526 CG1 VAL A 186 7.987 1.663 8.101 1.00 0.00 C ATOM 527 CG2 VAL A 186 8.270 -0.626 7.140 1.00 0.00 C ATOM 528 H VAL A 186 10.560 -0.467 8.658 1.00 0.00 H ATOM 529 N LYS A 187 7.381 -2.141 10.519 1.00 0.00 N ATOM 530 CA LYS A 187 7.143 -3.588 10.777 1.00 0.00 C ATOM 531 C LYS A 187 5.774 -3.975 10.223 1.00 0.00 C ATOM 532 O LYS A 187 4.904 -3.143 10.061 1.00 0.00 O ATOM 533 CB LYS A 187 7.184 -3.852 12.283 1.00 0.00 C ATOM 534 CG LYS A 187 8.574 -3.510 12.817 1.00 0.00 C ATOM 535 CD LYS A 187 8.685 -3.940 14.281 1.00 0.00 C ATOM 536 CE LYS A 187 10.018 -3.459 14.855 1.00 0.00 C ATOM 537 NZ LYS A 187 10.589 -4.514 15.740 1.00 0.00 N ATOM 538 HZ1 LYS A 187 9.926 -4.708 16.518 1.00 0.00 H ATOM 539 HZ2 LYS A 187 10.742 -5.382 15.188 1.00 0.00 H ATOM 540 HZ3 LYS A 187 11.495 -4.185 16.129 1.00 0.00 H ATOM 541 H LYS A 187 6.725 -1.432 10.905 1.00 0.00 H ATOM 542 N TYR A 188 5.570 -5.227 9.927 1.00 0.00 N ATOM 543 CA TYR A 188 4.252 -5.647 9.382 1.00 0.00 C ATOM 544 C TYR A 188 3.386 -6.161 10.529 1.00 0.00 C ATOM 545 O TYR A 188 3.733 -7.107 11.208 1.00 0.00 O ATOM 546 CB TYR A 188 4.453 -6.768 8.358 1.00 0.00 C ATOM 547 CG TYR A 188 5.625 -6.438 7.461 1.00 0.00 C ATOM 548 CD1 TYR A 188 5.706 -5.185 6.838 1.00 0.00 C ATOM 549 CD2 TYR A 188 6.631 -7.388 7.253 1.00 0.00 C ATOM 550 CE1 TYR A 188 6.794 -4.886 6.008 1.00 0.00 C ATOM 551 CE2 TYR A 188 7.718 -7.088 6.423 1.00 0.00 C ATOM 552 CZ TYR A 188 7.799 -5.837 5.801 1.00 0.00 C ATOM 553 OH TYR A 188 8.870 -5.542 4.983 1.00 0.00 O ATOM 554 HH TYR A 188 8.770 -4.623 4.628 1.00 0.00 H ATOM 555 H TYR A 188 6.324 -5.928 10.071 1.00 0.00 H ATOM 556 N ASP A 189 2.261 -5.543 10.755 1.00 0.00 N ATOM 557 CA ASP A 189 1.377 -5.995 11.864 1.00 0.00 C ATOM 558 C ASP A 189 0.979 -7.451 11.630 1.00 0.00 C ATOM 559 O ASP A 189 0.909 -8.243 12.549 1.00 0.00 O ATOM 560 CB ASP A 189 0.124 -5.120 11.905 1.00 0.00 C ATOM 561 CG ASP A 189 0.510 -3.692 12.293 1.00 0.00 C ATOM 562 OD1 ASP A 189 1.634 -3.501 12.729 1.00 0.00 O ATOM 563 OD2 ASP A 189 -0.324 -2.813 12.149 1.00 0.00 O ATOM 564 H ASP A 189 1.982 -4.736 10.162 1.00 0.00 H ATOM 565 N ASP A 190 0.720 -7.812 10.403 1.00 0.00 N ATOM 566 CA ASP A 190 0.330 -9.217 10.104 1.00 0.00 C ATOM 567 C ASP A 190 1.501 -10.154 10.411 1.00 0.00 C ATOM 568 O ASP A 190 1.318 -11.259 10.880 1.00 0.00 O ATOM 569 CB ASP A 190 -0.048 -9.340 8.626 1.00 0.00 C ATOM 570 CG ASP A 190 -1.316 -8.529 8.355 1.00 0.00 C ATOM 571 OD1 ASP A 190 -1.960 -8.134 9.313 1.00 0.00 O ATOM 572 OD2 ASP A 190 -1.622 -8.318 7.193 1.00 0.00 O ATOM 573 H ASP A 190 0.786 -7.117 9.633 1.00 0.00 H ATOM 574 N TYR A 191 2.704 -9.722 10.137 1.00 0.00 N ATOM 575 CA TYR A 191 3.892 -10.587 10.397 1.00 0.00 C ATOM 576 C TYR A 191 4.936 -9.810 11.208 1.00 0.00 C ATOM 577 O TYR A 191 5.933 -9.364 10.676 1.00 0.00 O ATOM 578 CB TYR A 191 4.504 -11.010 9.060 1.00 0.00 C ATOM 579 CG TYR A 191 3.419 -11.548 8.159 1.00 0.00 C ATOM 580 CD1 TYR A 191 3.073 -12.904 8.213 1.00 0.00 C ATOM 581 CD2 TYR A 191 2.759 -10.693 7.270 1.00 0.00 C ATOM 582 CE1 TYR A 191 2.067 -13.404 7.377 1.00 0.00 C ATOM 583 CE2 TYR A 191 1.753 -11.192 6.434 1.00 0.00 C ATOM 584 CZ TYR A 191 1.407 -12.548 6.488 1.00 0.00 C ATOM 585 OH TYR A 191 0.415 -13.040 5.664 1.00 0.00 O ATOM 586 HH TYR A 191 0.299 -14.009 5.831 1.00 0.00 H ATOM 587 H TYR A 191 2.834 -8.771 9.736 1.00 0.00 H ATOM 588 N PRO A 192 4.711 -9.652 12.486 1.00 0.00 N ATOM 589 CA PRO A 192 5.650 -8.918 13.380 1.00 0.00 C ATOM 590 C PRO A 192 6.887 -9.754 13.728 1.00 0.00 C ATOM 591 O PRO A 192 7.866 -9.251 14.241 1.00 0.00 O ATOM 592 CB PRO A 192 4.820 -8.634 14.631 1.00 0.00 C ATOM 593 CG PRO A 192 3.760 -9.687 14.662 1.00 0.00 C ATOM 594 CD PRO A 192 3.538 -10.155 13.220 1.00 0.00 C ATOM 595 N GLU A 193 6.844 -11.030 13.456 1.00 0.00 N ATOM 596 CA GLU A 193 8.009 -11.907 13.771 1.00 0.00 C ATOM 597 C GLU A 193 9.233 -11.451 12.973 1.00 0.00 C ATOM 598 O GLU A 193 10.359 -11.627 13.392 1.00 0.00 O ATOM 599 CB GLU A 193 7.671 -13.353 13.403 1.00 0.00 C ATOM 600 CG GLU A 193 6.521 -13.848 14.283 1.00 0.00 C ATOM 601 CD GLU A 193 6.230 -15.316 13.964 1.00 0.00 C ATOM 602 OE1 GLU A 193 5.450 -15.915 14.686 1.00 0.00 O ATOM 603 OE2 GLU A 193 6.792 -15.815 13.003 1.00 0.00 O ATOM 604 H GLU A 193 5.993 -11.437 13.018 1.00 0.00 H ATOM 605 N ASN A 194 9.024 -10.876 11.820 1.00 0.00 N ATOM 606 CA ASN A 194 10.178 -10.419 10.994 1.00 0.00 C ATOM 607 C ASN A 194 11.116 -9.559 11.844 1.00 0.00 C ATOM 608 O ASN A 194 12.319 -9.588 11.677 1.00 0.00 O ATOM 609 CB ASN A 194 9.664 -9.595 9.812 1.00 0.00 C ATOM 610 CG ASN A 194 10.796 -9.388 8.804 1.00 0.00 C ATOM 611 OD1 ASN A 194 11.908 -9.825 9.024 1.00 0.00 O ATOM 612 ND2 ASN A 194 10.559 -8.734 7.700 1.00 0.00 N ATOM 613 HD22 ASN A 194 9.607 -8.360 7.511 1.00 0.00 H ATOM 614 HD21 ASN A 194 11.322 -8.587 7.009 1.00 0.00 H ATOM 615 H ASN A 194 8.052 -10.737 11.477 1.00 0.00 H ATOM 616 N GLY A 195 10.580 -8.790 12.751 1.00 0.00 N ATOM 617 CA GLY A 195 11.448 -7.929 13.604 1.00 0.00 C ATOM 618 C GLY A 195 11.416 -6.494 13.074 1.00 0.00 C ATOM 619 O GLY A 195 10.403 -5.830 13.132 1.00 0.00 O ATOM 620 H GLY A 195 9.548 -8.778 12.879 1.00 0.00 H ATOM 621 N VAL A 196 12.516 -6.016 12.554 1.00 0.00 N ATOM 622 CA VAL A 196 12.546 -4.624 12.017 1.00 0.00 C ATOM 623 C VAL A 196 12.932 -4.659 10.535 1.00 0.00 C ATOM 624 O VAL A 196 13.946 -5.212 10.160 1.00 0.00 O ATOM 625 CB VAL A 196 13.578 -3.804 12.793 1.00 0.00 C ATOM 626 CG1 VAL A 196 14.983 -4.325 12.485 1.00 0.00 C ATOM 627 CG2 VAL A 196 13.479 -2.333 12.381 1.00 0.00 C ATOM 628 H VAL A 196 13.371 -6.606 12.515 1.00 0.00 H ATOM 629 N VAL A 197 12.126 -4.068 9.694 1.00 0.00 N ATOM 630 CA VAL A 197 12.432 -4.056 8.234 1.00 0.00 C ATOM 631 C VAL A 197 12.803 -2.637 7.798 1.00 0.00 C ATOM 632 O VAL A 197 12.177 -1.675 8.197 1.00 0.00 O ATOM 633 CB VAL A 197 11.205 -4.524 7.452 1.00 0.00 C ATOM 634 CG1 VAL A 197 11.551 -4.616 5.964 1.00 0.00 C ATOM 635 CG2 VAL A 197 10.773 -5.902 7.959 1.00 0.00 C ATOM 636 H VAL A 197 11.265 -3.602 10.045 1.00 0.00 H ATOM 637 N GLN A 198 13.804 -2.495 6.973 1.00 0.00 N ATOM 638 CA GLN A 198 14.190 -1.132 6.510 1.00 0.00 C ATOM 639 C GLN A 198 13.575 -0.884 5.133 1.00 0.00 C ATOM 640 O GLN A 198 13.724 -1.680 4.226 1.00 0.00 O ATOM 641 CB GLN A 198 15.714 -1.031 6.412 1.00 0.00 C ATOM 642 CG GLN A 198 16.344 -1.557 7.703 1.00 0.00 C ATOM 643 CD GLN A 198 15.703 -0.856 8.899 1.00 0.00 C ATOM 644 OE1 GLN A 198 15.470 0.335 8.866 1.00 0.00 O ATOM 645 NE2 GLN A 198 15.406 -1.551 9.963 1.00 0.00 N ATOM 646 HE22 GLN A 198 15.606 -2.571 9.990 1.00 0.00 H ATOM 647 HE21 GLN A 198 14.969 -1.085 10.784 1.00 0.00 H ATOM 648 H GLN A 198 14.330 -3.328 6.640 1.00 0.00 H ATOM 649 N MET A 199 12.878 0.205 4.967 1.00 0.00 N ATOM 650 CA MET A 199 12.252 0.489 3.645 1.00 0.00 C ATOM 651 C MET A 199 12.377 1.978 3.322 1.00 0.00 C ATOM 652 O MET A 199 12.455 2.811 4.204 1.00 0.00 O ATOM 653 CB MET A 199 10.772 0.100 3.692 1.00 0.00 C ATOM 654 CG MET A 199 10.266 -0.167 2.274 1.00 0.00 C ATOM 655 SD MET A 199 10.182 -1.952 1.990 1.00 0.00 S ATOM 656 CE MET A 199 8.642 -2.253 2.893 1.00 0.00 C ATOM 657 H MET A 199 12.759 0.873 5.755 1.00 0.00 H ATOM 658 N ASN A 200 12.392 2.323 2.063 1.00 0.00 N ATOM 659 CA ASN A 200 12.504 3.759 1.685 1.00 0.00 C ATOM 660 C ASN A 200 11.108 4.384 1.649 1.00 0.00 C ATOM 661 O ASN A 200 10.109 3.693 1.618 1.00 0.00 O ATOM 662 CB ASN A 200 13.158 3.877 0.305 1.00 0.00 C ATOM 663 CG ASN A 200 12.338 3.093 -0.721 1.00 0.00 C ATOM 664 OD1 ASN A 200 12.686 3.042 -1.884 1.00 0.00 O ATOM 665 ND2 ASN A 200 11.256 2.472 -0.338 1.00 0.00 N ATOM 666 HD22 ASN A 200 10.957 2.515 0.657 1.00 0.00 H ATOM 667 HD21 ASN A 200 10.693 1.935 -1.028 1.00 0.00 H ATOM 668 H ASN A 200 12.326 1.595 1.324 1.00 0.00 H ATOM 669 N SER A 201 11.029 5.686 1.661 1.00 0.00 N ATOM 670 CA SER A 201 9.696 6.353 1.635 1.00 0.00 C ATOM 671 C SER A 201 8.974 6.028 0.325 1.00 0.00 C ATOM 672 O SER A 201 7.761 6.000 0.266 1.00 0.00 O ATOM 673 CB SER A 201 9.885 7.866 1.745 1.00 0.00 C ATOM 674 OG SER A 201 10.544 8.343 0.580 1.00 0.00 O ATOM 675 HG SER A 201 10.667 9.323 0.650 1.00 0.00 H ATOM 676 H SER A 201 11.896 6.259 1.689 1.00 0.00 H ATOM 677 N ARG A 202 9.708 5.791 -0.726 1.00 0.00 N ATOM 678 CA ARG A 202 9.066 5.478 -2.030 1.00 0.00 C ATOM 679 C ARG A 202 8.200 4.221 -1.904 1.00 0.00 C ATOM 680 O ARG A 202 7.150 4.118 -2.509 1.00 0.00 O ATOM 681 CB ARG A 202 10.153 5.248 -3.078 1.00 0.00 C ATOM 682 CG ARG A 202 10.956 6.535 -3.270 1.00 0.00 C ATOM 683 CD ARG A 202 11.980 6.338 -4.389 1.00 0.00 C ATOM 684 NE ARG A 202 12.914 7.499 -4.415 1.00 0.00 N ATOM 685 CZ ARG A 202 13.868 7.588 -3.529 1.00 0.00 C ATOM 686 NH1 ARG A 202 14.685 8.605 -3.550 1.00 0.00 N ATOM 687 NH2 ARG A 202 14.006 6.659 -2.623 1.00 0.00 N ATOM 688 HE ARG A 202 12.806 8.238 -5.139 1.00 0.00 H ATOM 689 HH12 ARG A 202 15.445 8.676 -2.844 1.00 0.00 H ATOM 690 HH11 ARG A 202 14.576 9.345 -4.273 1.00 0.00 H ATOM 691 HH22 ARG A 202 14.766 6.730 -1.917 1.00 0.00 H ATOM 692 HH21 ARG A 202 13.356 5.848 -2.607 1.00 0.00 H ATOM 693 H ARG A 202 10.745 5.821 -0.652 1.00 0.00 H ATOM 694 N ASP A 203 8.631 3.259 -1.135 1.00 0.00 N ATOM 695 CA ASP A 203 7.829 2.010 -0.988 1.00 0.00 C ATOM 696 C ASP A 203 6.912 2.114 0.233 1.00 0.00 C ATOM 697 O ASP A 203 6.129 1.225 0.505 1.00 0.00 O ATOM 698 CB ASP A 203 8.770 0.817 -0.815 1.00 0.00 C ATOM 699 CG ASP A 203 9.568 0.604 -2.102 1.00 0.00 C ATOM 700 OD1 ASP A 203 9.201 1.191 -3.107 1.00 0.00 O ATOM 701 OD2 ASP A 203 10.532 -0.141 -2.062 1.00 0.00 O ATOM 702 H ASP A 203 9.532 3.363 -0.626 1.00 0.00 H ATOM 703 N VAL A 204 7.000 3.191 0.969 1.00 0.00 N ATOM 704 CA VAL A 204 6.129 3.347 2.172 1.00 0.00 C ATOM 705 C VAL A 204 5.142 4.492 1.932 1.00 0.00 C ATOM 706 O VAL A 204 5.516 5.566 1.508 1.00 0.00 O ATOM 707 CB VAL A 204 6.997 3.670 3.391 1.00 0.00 C ATOM 708 CG1 VAL A 204 6.127 3.694 4.649 1.00 0.00 C ATOM 709 CG2 VAL A 204 8.081 2.601 3.545 1.00 0.00 C ATOM 710 H VAL A 204 7.677 3.939 0.717 1.00 0.00 H ATOM 711 N ARG A 205 3.882 4.268 2.198 1.00 0.00 N ATOM 712 CA ARG A 205 2.871 5.343 1.984 1.00 0.00 C ATOM 713 C ARG A 205 1.924 5.409 3.185 1.00 0.00 C ATOM 714 O ARG A 205 1.699 4.427 3.865 1.00 0.00 O ATOM 715 CB ARG A 205 2.069 5.046 0.716 1.00 0.00 C ATOM 716 CG ARG A 205 2.996 5.105 -0.499 1.00 0.00 C ATOM 717 CD ARG A 205 2.180 4.909 -1.778 1.00 0.00 C ATOM 718 NE ARG A 205 1.320 6.105 -2.005 1.00 0.00 N ATOM 719 CZ ARG A 205 1.817 7.165 -2.580 1.00 0.00 C ATOM 720 NH1 ARG A 205 1.066 8.213 -2.780 1.00 0.00 N ATOM 721 NH2 ARG A 205 3.067 7.177 -2.956 1.00 0.00 N ATOM 722 HE ARG A 205 0.324 6.094 -1.705 1.00 0.00 H ATOM 723 HH12 ARG A 205 1.463 9.058 -3.239 1.00 0.00 H ATOM 724 HH11 ARG A 205 0.070 8.204 -2.481 1.00 0.00 H ATOM 725 HH22 ARG A 205 3.464 8.022 -3.415 1.00 0.00 H ATOM 726 HH21 ARG A 205 3.666 6.342 -2.797 1.00 0.00 H ATOM 727 H ARG A 205 3.584 3.339 2.559 1.00 0.00 H ATOM 728 N ALA A 206 1.366 6.559 3.450 1.00 0.00 N ATOM 729 CA ALA A 206 0.432 6.690 4.604 1.00 0.00 C ATOM 730 C ALA A 206 -0.777 5.776 4.386 1.00 0.00 C ATOM 731 O ALA A 206 -1.185 5.529 3.270 1.00 0.00 O ATOM 732 CB ALA A 206 -0.040 8.141 4.714 1.00 0.00 C ATOM 733 H ALA A 206 1.574 7.386 2.854 1.00 0.00 H ATOM 734 N ARG A 207 -1.351 5.272 5.444 1.00 0.00 N ATOM 735 CA ARG A 207 -2.532 4.373 5.291 1.00 0.00 C ATOM 736 C ARG A 207 -3.718 5.171 4.742 1.00 0.00 C ATOM 737 O ARG A 207 -3.928 6.314 5.099 1.00 0.00 O ATOM 738 CB ARG A 207 -2.902 3.782 6.653 1.00 0.00 C ATOM 739 CG ARG A 207 -4.001 2.732 6.473 1.00 0.00 C ATOM 740 CD ARG A 207 -4.338 2.105 7.827 1.00 0.00 C ATOM 741 NE ARG A 207 -5.004 3.120 8.691 1.00 0.00 N ATOM 742 CZ ARG A 207 -6.291 3.318 8.591 1.00 0.00 C ATOM 743 NH1 ARG A 207 -6.874 4.207 9.348 1.00 0.00 N ATOM 744 NH2 ARG A 207 -6.992 2.629 7.733 1.00 0.00 N ATOM 745 HE ARG A 207 -4.444 3.670 9.373 1.00 0.00 H ATOM 746 HH12 ARG A 207 -7.899 4.365 9.269 1.00 0.00 H ATOM 747 HH11 ARG A 207 -6.314 4.757 10.030 1.00 0.00 H ATOM 748 HH22 ARG A 207 -8.017 2.786 7.653 1.00 0.00 H ATOM 749 HH21 ARG A 207 -6.526 1.922 7.129 1.00 0.00 H ATOM 750 H ARG A 207 -0.986 5.496 6.392 1.00 0.00 H ATOM 751 N ALA A 208 -4.496 4.578 3.877 1.00 0.00 N ATOM 752 CA ALA A 208 -5.669 5.301 3.306 1.00 0.00 C ATOM 753 C ALA A 208 -6.647 5.648 4.430 1.00 0.00 C ATOM 754 O ALA A 208 -6.842 4.880 5.352 1.00 0.00 O ATOM 755 CB ALA A 208 -6.369 4.411 2.279 1.00 0.00 C ATOM 756 H ALA A 208 -4.297 3.600 3.586 1.00 0.00 H ATOM 757 N ARG A 209 -7.259 6.802 4.364 1.00 0.00 N ATOM 758 CA ARG A 209 -8.222 7.204 5.432 1.00 0.00 C ATOM 759 C ARG A 209 -9.580 7.546 4.815 1.00 0.00 C ATOM 760 O ARG A 209 -10.539 7.788 5.522 1.00 0.00 O ATOM 761 CB ARG A 209 -7.682 8.435 6.159 1.00 0.00 C ATOM 762 CG ARG A 209 -6.824 9.257 5.197 1.00 0.00 C ATOM 763 CD ARG A 209 -6.878 10.732 5.596 1.00 0.00 C ATOM 764 NE ARG A 209 -5.960 11.516 4.722 1.00 0.00 N ATOM 765 CZ ARG A 209 -5.469 12.650 5.142 1.00 0.00 C ATOM 766 NH1 ARG A 209 -4.665 13.336 4.376 1.00 0.00 N ATOM 767 NH2 ARG A 209 -5.780 13.097 6.327 1.00 0.00 N ATOM 768 HE ARG A 209 -5.711 11.159 3.777 1.00 0.00 H ATOM 769 HH12 ARG A 209 -4.273 14.240 4.710 1.00 0.00 H ATOM 770 HH11 ARG A 209 -4.416 12.979 3.432 1.00 0.00 H ATOM 771 HH22 ARG A 209 -5.388 14.001 6.661 1.00 0.00 H ATOM 772 HH21 ARG A 209 -6.420 12.550 6.938 1.00 0.00 H ATOM 773 H ARG A 209 -7.074 7.442 3.565 1.00 0.00 H ATOM 774 N THR A 210 -9.672 7.579 3.511 1.00 0.00 N ATOM 775 CA THR A 210 -10.974 7.919 2.865 1.00 0.00 C ATOM 776 C THR A 210 -11.435 6.763 1.975 1.00 0.00 C ATOM 777 O THR A 210 -10.682 6.233 1.183 1.00 0.00 O ATOM 778 CB THR A 210 -10.798 9.180 2.015 1.00 0.00 C ATOM 779 OG1 THR A 210 -10.334 10.242 2.838 1.00 0.00 O ATOM 780 CG2 THR A 210 -12.137 9.565 1.384 1.00 0.00 C ATOM 781 HG1 THR A 210 -10.220 11.058 2.289 1.00 0.00 H ATOM 782 H THR A 210 -8.839 7.369 2.925 1.00 0.00 H ATOM 783 N ILE A 211 -12.677 6.377 2.096 1.00 0.00 N ATOM 784 CA ILE A 211 -13.206 5.264 1.257 1.00 0.00 C ATOM 785 C ILE A 211 -14.022 5.851 0.107 1.00 0.00 C ATOM 786 O ILE A 211 -14.866 6.703 0.303 1.00 0.00 O ATOM 787 CB ILE A 211 -14.095 4.351 2.101 1.00 0.00 C ATOM 788 CG1 ILE A 211 -13.290 3.802 3.280 1.00 0.00 C ATOM 789 CG2 ILE A 211 -14.594 3.188 1.242 1.00 0.00 C ATOM 790 CD1 ILE A 211 -14.181 2.888 4.120 1.00 0.00 C ATOM 791 H ILE A 211 -13.301 6.849 2.782 1.00 0.00 H ATOM 792 N ILE A 212 -13.773 5.412 -1.095 1.00 0.00 N ATOM 793 CA ILE A 212 -14.531 5.959 -2.254 1.00 0.00 C ATOM 794 C ILE A 212 -15.691 5.021 -2.596 1.00 0.00 C ATOM 795 O ILE A 212 -15.517 3.828 -2.748 1.00 0.00 O ATOM 796 CB ILE A 212 -13.594 6.072 -3.459 1.00 0.00 C ATOM 797 CG1 ILE A 212 -12.310 6.797 -3.045 1.00 0.00 C ATOM 798 CG2 ILE A 212 -14.281 6.865 -4.570 1.00 0.00 C ATOM 799 CD1 ILE A 212 -12.662 8.065 -2.265 1.00 0.00 C ATOM 800 H ILE A 212 -13.047 4.682 -1.244 1.00 0.00 H ATOM 801 N LYS A 213 -16.877 5.555 -2.719 1.00 0.00 N ATOM 802 CA LYS A 213 -18.056 4.704 -3.051 1.00 0.00 C ATOM 803 C LYS A 213 -18.286 4.726 -4.561 1.00 0.00 C ATOM 804 O LYS A 213 -17.770 5.573 -5.262 1.00 0.00 O ATOM 805 CB LYS A 213 -19.298 5.248 -2.342 1.00 0.00 C ATOM 806 CG LYS A 213 -19.087 5.192 -0.828 1.00 0.00 C ATOM 807 CD LYS A 213 -20.400 5.522 -0.115 1.00 0.00 C ATOM 808 CE LYS A 213 -20.810 6.960 -0.434 1.00 0.00 C ATOM 809 NZ LYS A 213 -21.410 7.587 0.778 1.00 0.00 N ATOM 810 HZ1 LYS A 213 -22.248 7.044 1.069 1.00 0.00 H ATOM 811 HZ2 LYS A 213 -20.711 7.588 1.548 1.00 0.00 H ATOM 812 HZ3 LYS A 213 -21.688 8.565 0.559 1.00 0.00 H ATOM 813 H LYS A 213 -17.000 6.579 -2.585 1.00 0.00 H ATOM 814 N TRP A 214 -19.060 3.804 -5.069 1.00 0.00 N ATOM 815 CA TRP A 214 -19.319 3.776 -6.536 1.00 0.00 C ATOM 816 C TRP A 214 -19.648 5.187 -7.025 1.00 0.00 C ATOM 817 O TRP A 214 -19.154 5.633 -8.042 1.00 0.00 O ATOM 818 CB TRP A 214 -20.505 2.852 -6.819 1.00 0.00 C ATOM 819 CG TRP A 214 -21.175 3.274 -8.086 1.00 0.00 C ATOM 820 CD1 TRP A 214 -22.295 4.027 -8.151 1.00 0.00 C ATOM 821 CD2 TRP A 214 -20.792 2.985 -9.462 1.00 0.00 C ATOM 822 NE1 TRP A 214 -22.628 4.220 -9.480 1.00 0.00 N ATOM 823 CE2 TRP A 214 -21.732 3.598 -10.327 1.00 0.00 C ATOM 824 CE3 TRP A 214 -19.735 2.261 -10.040 1.00 0.00 C ATOM 825 CZ2 TRP A 214 -21.625 3.494 -11.714 1.00 0.00 C ATOM 826 CZ3 TRP A 214 -19.626 2.155 -11.436 1.00 0.00 C ATOM 827 CH2 TRP A 214 -20.569 2.770 -12.271 1.00 0.00 C ATOM 828 HE1 TRP A 214 -23.452 4.767 -9.802 1.00 0.00 H ATOM 829 H TRP A 214 -19.495 3.090 -4.450 1.00 0.00 H ATOM 830 N GLN A 215 -20.473 5.892 -6.308 1.00 0.00 N ATOM 831 CA GLN A 215 -20.832 7.275 -6.724 1.00 0.00 C ATOM 832 C GLN A 215 -19.593 8.177 -6.675 1.00 0.00 C ATOM 833 O GLN A 215 -19.484 9.137 -7.411 1.00 0.00 O ATOM 834 CB GLN A 215 -21.890 7.820 -5.766 1.00 0.00 C ATOM 835 CG GLN A 215 -23.148 6.957 -5.858 1.00 0.00 C ATOM 836 CD GLN A 215 -24.200 7.488 -4.887 1.00 0.00 C ATOM 837 OE1 GLN A 215 -24.909 8.429 -5.190 1.00 0.00 O ATOM 838 NE2 GLN A 215 -24.330 6.920 -3.720 1.00 0.00 N ATOM 839 HE22 GLN A 215 -23.723 6.116 -3.463 1.00 0.00 H ATOM 840 HE21 GLN A 215 -25.041 7.271 -3.047 1.00 0.00 H ATOM 841 H GLN A 215 -20.883 5.488 -5.442 1.00 0.00 H ATOM 842 N ASP A 216 -18.673 7.893 -5.791 1.00 0.00 N ATOM 843 CA ASP A 216 -17.461 8.756 -5.672 1.00 0.00 C ATOM 844 C ASP A 216 -16.302 8.216 -6.522 1.00 0.00 C ATOM 845 O ASP A 216 -15.190 8.697 -6.425 1.00 0.00 O ATOM 846 CB ASP A 216 -17.029 8.814 -4.206 1.00 0.00 C ATOM 847 CG ASP A 216 -18.119 9.496 -3.380 1.00 0.00 C ATOM 848 OD1 ASP A 216 -18.981 10.124 -3.974 1.00 0.00 O ATOM 849 OD2 ASP A 216 -18.075 9.381 -2.166 1.00 0.00 O ATOM 850 H ASP A 216 -18.785 7.066 -5.171 1.00 0.00 H ATOM 851 N LEU A 217 -16.531 7.237 -7.358 1.00 0.00 N ATOM 852 CA LEU A 217 -15.405 6.718 -8.193 1.00 0.00 C ATOM 853 C LEU A 217 -15.131 7.688 -9.342 1.00 0.00 C ATOM 854 O LEU A 217 -16.037 8.167 -9.995 1.00 0.00 O ATOM 855 CB LEU A 217 -15.753 5.342 -8.770 1.00 0.00 C ATOM 856 CG LEU A 217 -15.826 4.307 -7.647 1.00 0.00 C ATOM 857 CD1 LEU A 217 -16.242 2.954 -8.229 1.00 0.00 C ATOM 858 CD2 LEU A 217 -14.451 4.166 -6.989 1.00 0.00 C ATOM 859 H LEU A 217 -17.483 6.825 -7.441 1.00 0.00 H ATOM 860 N GLU A 218 -13.882 7.974 -9.590 1.00 0.00 N ATOM 861 CA GLU A 218 -13.524 8.909 -10.694 1.00 0.00 C ATOM 862 C GLU A 218 -12.567 8.205 -11.656 1.00 0.00 C ATOM 863 O GLU A 218 -11.979 7.193 -11.329 1.00 0.00 O ATOM 864 CB GLU A 218 -12.843 10.149 -10.113 1.00 0.00 C ATOM 865 CG GLU A 218 -13.802 10.858 -9.155 1.00 0.00 C ATOM 866 CD GLU A 218 -13.148 12.137 -8.631 1.00 0.00 C ATOM 867 OE1 GLU A 218 -11.967 12.318 -8.877 1.00 0.00 O ATOM 868 OE2 GLU A 218 -13.838 12.914 -7.992 1.00 0.00 O ATOM 869 H GLU A 218 -13.130 7.546 -9.013 1.00 0.00 H ATOM 870 N VAL A 219 -12.404 8.728 -12.838 1.00 0.00 N ATOM 871 CA VAL A 219 -11.484 8.084 -13.813 1.00 0.00 C ATOM 872 C VAL A 219 -10.120 8.770 -13.755 1.00 0.00 C ATOM 873 O VAL A 219 -10.023 9.982 -13.760 1.00 0.00 O ATOM 874 CB VAL A 219 -12.062 8.216 -15.223 1.00 0.00 C ATOM 875 CG1 VAL A 219 -11.166 7.471 -16.215 1.00 0.00 C ATOM 876 CG2 VAL A 219 -13.468 7.615 -15.255 1.00 0.00 C ATOM 877 H VAL A 219 -12.916 9.594 -13.099 1.00 0.00 H ATOM 878 N GLY A 220 -9.062 8.009 -13.702 1.00 0.00 N ATOM 879 CA GLY A 220 -7.705 8.623 -13.647 1.00 0.00 C ATOM 880 C GLY A 220 -7.232 8.727 -12.194 1.00 0.00 C ATOM 881 O GLY A 220 -6.159 9.224 -11.918 1.00 0.00 O ATOM 882 H GLY A 220 -9.165 6.974 -13.698 1.00 0.00 H ATOM 883 N GLN A 221 -8.018 8.260 -11.260 1.00 0.00 N ATOM 884 CA GLN A 221 -7.595 8.334 -9.831 1.00 0.00 C ATOM 885 C GLN A 221 -6.917 7.020 -9.444 1.00 0.00 C ATOM 886 O GLN A 221 -7.286 5.962 -9.912 1.00 0.00 O ATOM 887 CB GLN A 221 -8.813 8.559 -8.930 1.00 0.00 C ATOM 888 CG GLN A 221 -8.344 8.856 -7.504 1.00 0.00 C ATOM 889 CD GLN A 221 -9.558 8.986 -6.583 1.00 0.00 C ATOM 890 OE1 GLN A 221 -9.414 9.110 -5.382 1.00 0.00 O ATOM 891 NE2 GLN A 221 -10.758 8.964 -7.097 1.00 0.00 N ATOM 892 HE22 GLN A 221 -10.882 8.858 -8.124 1.00 0.00 H ATOM 893 HE21 GLN A 221 -11.590 9.053 -6.479 1.00 0.00 H ATOM 894 H GLN A 221 -8.935 7.838 -11.512 1.00 0.00 H ATOM 895 N VAL A 222 -5.930 7.074 -8.594 1.00 0.00 N ATOM 896 CA VAL A 222 -5.241 5.819 -8.187 1.00 0.00 C ATOM 897 C VAL A 222 -5.904 5.273 -6.924 1.00 0.00 C ATOM 898 O VAL A 222 -6.092 5.980 -5.953 1.00 0.00 O ATOM 899 CB VAL A 222 -3.766 6.114 -7.906 1.00 0.00 C ATOM 900 CG1 VAL A 222 -3.019 4.802 -7.660 1.00 0.00 C ATOM 901 CG2 VAL A 222 -3.153 6.832 -9.110 1.00 0.00 C ATOM 902 H VAL A 222 -5.626 7.988 -8.203 1.00 0.00 H ATOM 903 N VAL A 223 -6.266 4.019 -6.934 1.00 0.00 N ATOM 904 CA VAL A 223 -6.926 3.419 -5.741 1.00 0.00 C ATOM 905 C VAL A 223 -6.263 2.083 -5.405 1.00 0.00 C ATOM 906 O VAL A 223 -5.542 1.520 -6.204 1.00 0.00 O ATOM 907 CB VAL A 223 -8.410 3.197 -6.040 1.00 0.00 C ATOM 908 CG1 VAL A 223 -9.086 4.544 -6.303 1.00 0.00 C ATOM 909 CG2 VAL A 223 -8.553 2.311 -7.281 1.00 0.00 C ATOM 910 H VAL A 223 -6.093 3.437 -7.778 1.00 0.00 H ATOM 911 N MET A 224 -6.504 1.572 -4.227 1.00 0.00 N ATOM 912 CA MET A 224 -5.891 0.271 -3.836 1.00 0.00 C ATOM 913 C MET A 224 -6.994 -0.785 -3.732 1.00 0.00 C ATOM 914 O MET A 224 -8.020 -0.567 -3.119 1.00 0.00 O ATOM 915 CB MET A 224 -5.213 0.417 -2.471 1.00 0.00 C ATOM 916 CG MET A 224 -4.325 1.663 -2.463 1.00 0.00 C ATOM 917 SD MET A 224 -3.045 1.506 -3.730 1.00 0.00 S ATOM 918 CE MET A 224 -2.195 0.076 -3.017 1.00 0.00 C ATOM 919 H MET A 224 -7.125 2.074 -3.561 1.00 0.00 H ATOM 920 N LEU A 225 -6.792 -1.928 -4.324 1.00 0.00 N ATOM 921 CA LEU A 225 -7.830 -2.996 -4.256 1.00 0.00 C ATOM 922 C LEU A 225 -7.148 -4.354 -4.076 1.00 0.00 C ATOM 923 O LEU A 225 -5.941 -4.467 -4.156 1.00 0.00 O ATOM 924 CB LEU A 225 -8.655 -2.998 -5.545 1.00 0.00 C ATOM 925 CG LEU A 225 -7.726 -3.140 -6.751 1.00 0.00 C ATOM 926 CD1 LEU A 225 -7.786 -4.576 -7.276 1.00 0.00 C ATOM 927 CD2 LEU A 225 -8.176 -2.179 -7.853 1.00 0.00 C ATOM 928 H LEU A 225 -5.907 -2.095 -4.844 1.00 0.00 H ATOM 929 N ASN A 226 -7.908 -5.383 -3.826 1.00 0.00 N ATOM 930 CA ASN A 226 -7.296 -6.727 -3.633 1.00 0.00 C ATOM 931 C ASN A 226 -7.279 -7.485 -4.963 1.00 0.00 C ATOM 932 O ASN A 226 -8.307 -7.730 -5.562 1.00 0.00 O ATOM 933 CB ASN A 226 -8.120 -7.517 -2.613 1.00 0.00 C ATOM 934 CG ASN A 226 -8.054 -6.820 -1.254 1.00 0.00 C ATOM 935 OD1 ASN A 226 -7.205 -5.982 -1.029 1.00 0.00 O ATOM 936 ND2 ASN A 226 -8.920 -7.136 -0.330 1.00 0.00 N ATOM 937 HD22 ASN A 226 -9.647 -7.854 -0.523 1.00 0.00 H ATOM 938 HD21 ASN A 226 -8.883 -6.670 0.599 1.00 0.00 H ATOM 939 H ASN A 226 -8.939 -5.266 -3.761 1.00 0.00 H ATOM 940 N TYR A 227 -6.114 -7.863 -5.422 1.00 0.00 N ATOM 941 CA TYR A 227 -6.022 -8.613 -6.708 1.00 0.00 C ATOM 942 C TYR A 227 -5.177 -9.872 -6.495 1.00 0.00 C ATOM 943 O TYR A 227 -4.122 -9.827 -5.895 1.00 0.00 O ATOM 944 CB TYR A 227 -5.368 -7.728 -7.771 1.00 0.00 C ATOM 945 CG TYR A 227 -5.399 -8.436 -9.104 1.00 0.00 C ATOM 946 CD1 TYR A 227 -6.563 -8.409 -9.883 1.00 0.00 C ATOM 947 CD2 TYR A 227 -4.268 -9.120 -9.561 1.00 0.00 C ATOM 948 CE1 TYR A 227 -6.594 -9.065 -11.119 1.00 0.00 C ATOM 949 CE2 TYR A 227 -4.298 -9.776 -10.797 1.00 0.00 C ATOM 950 CZ TYR A 227 -5.461 -9.750 -11.575 1.00 0.00 C ATOM 951 OH TYR A 227 -5.491 -10.397 -12.794 1.00 0.00 O ATOM 952 HH TYR A 227 -6.383 -10.278 -13.207 1.00 0.00 H ATOM 953 H TYR A 227 -5.249 -7.640 -4.889 1.00 0.00 H ATOM 954 N ASN A 228 -5.642 -10.994 -6.975 1.00 0.00 N ATOM 955 CA ASN A 228 -4.880 -12.265 -6.799 1.00 0.00 C ATOM 956 C ASN A 228 -4.513 -12.830 -8.180 1.00 0.00 C ATOM 957 O ASN A 228 -5.315 -13.484 -8.816 1.00 0.00 O ATOM 958 CB ASN A 228 -5.756 -13.276 -6.054 1.00 0.00 C ATOM 959 CG ASN A 228 -4.920 -13.994 -4.993 1.00 0.00 C ATOM 960 OD1 ASN A 228 -4.086 -13.391 -4.347 1.00 0.00 O ATOM 961 ND2 ASN A 228 -5.111 -15.268 -4.782 1.00 0.00 N ATOM 962 HD22 ASN A 228 -5.824 -15.785 -5.334 1.00 0.00 H ATOM 963 HD21 ASN A 228 -4.550 -15.766 -4.062 1.00 0.00 H ATOM 964 H ASN A 228 -6.549 -11.002 -7.483 1.00 0.00 H ATOM 965 N PRO A 229 -3.316 -12.574 -8.650 1.00 0.00 N ATOM 966 CA PRO A 229 -2.867 -13.068 -9.985 1.00 0.00 C ATOM 967 C PRO A 229 -3.035 -14.583 -10.128 1.00 0.00 C ATOM 968 O PRO A 229 -3.466 -15.074 -11.153 1.00 0.00 O ATOM 969 CB PRO A 229 -1.383 -12.690 -10.044 1.00 0.00 C ATOM 970 CG PRO A 229 -1.208 -11.586 -9.055 1.00 0.00 C ATOM 971 CD PRO A 229 -2.266 -11.795 -7.974 1.00 0.00 C ATOM 972 N ASP A 230 -2.703 -15.329 -9.110 1.00 0.00 N ATOM 973 CA ASP A 230 -2.849 -16.808 -9.195 1.00 0.00 C ATOM 974 C ASP A 230 -4.330 -17.174 -9.323 1.00 0.00 C ATOM 975 O ASP A 230 -4.706 -18.011 -10.120 1.00 0.00 O ATOM 976 CB ASP A 230 -2.276 -17.440 -7.927 1.00 0.00 C ATOM 977 CG ASP A 230 -0.761 -17.230 -7.892 1.00 0.00 C ATOM 978 OD1 ASP A 230 -0.213 -16.839 -8.910 1.00 0.00 O ATOM 979 OD2 ASP A 230 -0.174 -17.464 -6.848 1.00 0.00 O ATOM 980 H ASP A 230 -2.337 -14.891 -8.241 1.00 0.00 H ATOM 981 N ASN A 231 -5.173 -16.552 -8.545 1.00 0.00 N ATOM 982 CA ASN A 231 -6.631 -16.862 -8.620 1.00 0.00 C ATOM 983 C ASN A 231 -7.436 -15.566 -8.510 1.00 0.00 C ATOM 984 O ASN A 231 -7.944 -15.233 -7.458 1.00 0.00 O ATOM 985 CB ASN A 231 -7.017 -17.795 -7.471 1.00 0.00 C ATOM 986 CG ASN A 231 -6.015 -18.946 -7.376 1.00 0.00 C ATOM 987 OD1 ASN A 231 -5.408 -19.322 -8.360 1.00 0.00 O ATOM 988 ND2 ASN A 231 -5.816 -19.525 -6.224 1.00 0.00 N ATOM 989 HD22 ASN A 231 -6.336 -19.202 -5.383 1.00 0.00 H ATOM 990 HD21 ASN A 231 -5.137 -20.309 -6.147 1.00 0.00 H ATOM 991 H ASN A 231 -4.828 -15.839 -7.871 1.00 0.00 H ATOM 992 N PRO A 232 -7.552 -14.843 -9.588 1.00 0.00 N ATOM 993 CA PRO A 232 -8.310 -13.558 -9.616 1.00 0.00 C ATOM 994 C PRO A 232 -9.741 -13.721 -9.092 1.00 0.00 C ATOM 995 O PRO A 232 -10.371 -12.770 -8.675 1.00 0.00 O ATOM 996 CB PRO A 232 -8.326 -13.168 -11.097 1.00 0.00 C ATOM 997 CG PRO A 232 -7.182 -13.899 -11.719 1.00 0.00 C ATOM 998 CD PRO A 232 -6.974 -15.171 -10.898 1.00 0.00 C ATOM 999 N LYS A 233 -10.258 -14.919 -9.114 1.00 0.00 N ATOM 1000 CA LYS A 233 -11.647 -15.145 -8.622 1.00 0.00 C ATOM 1001 C LYS A 233 -11.636 -15.334 -7.102 1.00 0.00 C ATOM 1002 O LYS A 233 -12.657 -15.584 -6.494 1.00 0.00 O ATOM 1003 CB LYS A 233 -12.220 -16.398 -9.285 1.00 0.00 C ATOM 1004 CG LYS A 233 -12.308 -16.178 -10.796 1.00 0.00 C ATOM 1005 CD LYS A 233 -13.000 -17.376 -11.449 1.00 0.00 C ATOM 1006 CE LYS A 233 -12.998 -17.201 -12.970 1.00 0.00 C ATOM 1007 NZ LYS A 233 -11.637 -17.485 -13.503 1.00 0.00 N ATOM 1008 HZ1 LYS A 233 -10.955 -16.825 -13.078 1.00 0.00 H ATOM 1009 HZ2 LYS A 233 -11.370 -18.462 -13.266 1.00 0.00 H ATOM 1010 HZ3 LYS A 233 -11.639 -17.365 -14.536 1.00 0.00 H ATOM 1011 H LYS A 233 -9.700 -15.718 -9.476 1.00 0.00 H ATOM 1012 N GLU A 234 -10.488 -15.221 -6.488 1.00 0.00 N ATOM 1013 CA GLU A 234 -10.405 -15.398 -5.007 1.00 0.00 C ATOM 1014 C GLU A 234 -9.952 -14.092 -4.351 1.00 0.00 C ATOM 1015 O GLU A 234 -9.929 -13.046 -4.969 1.00 0.00 O ATOM 1016 CB GLU A 234 -9.397 -16.502 -4.682 1.00 0.00 C ATOM 1017 CG GLU A 234 -9.846 -17.815 -5.324 1.00 0.00 C ATOM 1018 CD GLU A 234 -8.879 -18.933 -4.931 1.00 0.00 C ATOM 1019 OE1 GLU A 234 -9.186 -20.081 -5.210 1.00 0.00 O ATOM 1020 OE2 GLU A 234 -7.847 -18.624 -4.358 1.00 0.00 O ATOM 1021 H GLU A 234 -9.628 -15.007 -7.033 1.00 0.00 H ATOM 1022 N ARG A 235 -9.588 -14.152 -3.099 1.00 0.00 N ATOM 1023 CA ARG A 235 -9.129 -12.926 -2.384 1.00 0.00 C ATOM 1024 C ARG A 235 -7.751 -12.522 -2.906 1.00 0.00 C ATOM 1025 O ARG A 235 -7.000 -13.339 -3.398 1.00 0.00 O ATOM 1026 CB ARG A 235 -9.047 -13.206 -0.882 1.00 0.00 C ATOM 1027 CG ARG A 235 -10.449 -13.469 -0.332 1.00 0.00 C ATOM 1028 CD ARG A 235 -10.381 -13.622 1.188 1.00 0.00 C ATOM 1029 NE ARG A 235 -11.687 -14.131 1.696 1.00 0.00 N ATOM 1030 CZ ARG A 235 -12.732 -13.350 1.706 1.00 0.00 C ATOM 1031 NH1 ARG A 235 -13.875 -13.796 2.150 1.00 0.00 N ATOM 1032 NH2 ARG A 235 -12.634 -12.122 1.274 1.00 0.00 N ATOM 1033 HE ARG A 235 -11.765 -15.109 2.042 1.00 0.00 H ATOM 1034 HH12 ARG A 235 -14.708 -13.174 2.158 1.00 0.00 H ATOM 1035 HH11 ARG A 235 -13.953 -14.774 2.496 1.00 0.00 H ATOM 1036 HH22 ARG A 235 -13.467 -11.500 1.282 1.00 0.00 H ATOM 1037 HH21 ARG A 235 -11.723 -11.766 0.922 1.00 0.00 H ATOM 1038 H ARG A 235 -9.618 -15.062 -2.596 1.00 0.00 H ATOM 1039 N GLY A 236 -7.428 -11.261 -2.826 1.00 0.00 N ATOM 1040 CA GLY A 236 -6.112 -10.786 -3.337 1.00 0.00 C ATOM 1041 C GLY A 236 -5.459 -9.858 -2.311 1.00 0.00 C ATOM 1042 O GLY A 236 -6.051 -9.505 -1.311 1.00 0.00 O ATOM 1043 H GLY A 236 -8.093 -10.583 -2.403 1.00 0.00 H ATOM 1044 N PHE A 237 -4.243 -9.450 -2.558 1.00 0.00 N ATOM 1045 CA PHE A 237 -3.557 -8.536 -1.603 1.00 0.00 C ATOM 1046 C PHE A 237 -3.763 -7.096 -2.070 1.00 0.00 C ATOM 1047 O PHE A 237 -3.994 -6.841 -3.235 1.00 0.00 O ATOM 1048 CB PHE A 237 -2.058 -8.847 -1.563 1.00 0.00 C ATOM 1049 CG PHE A 237 -1.838 -10.239 -1.022 1.00 0.00 C ATOM 1050 CD1 PHE A 237 -1.805 -10.457 0.361 1.00 0.00 C ATOM 1051 CD2 PHE A 237 -1.660 -11.311 -1.904 1.00 0.00 C ATOM 1052 CE1 PHE A 237 -1.597 -11.748 0.861 1.00 0.00 C ATOM 1053 CE2 PHE A 237 -1.450 -12.601 -1.404 1.00 0.00 C ATOM 1054 CZ PHE A 237 -1.419 -12.819 -0.022 1.00 0.00 C ATOM 1055 H PHE A 237 -3.754 -9.763 -3.421 1.00 0.00 H ATOM 1056 N TRP A 238 -3.690 -6.154 -1.174 1.00 0.00 N ATOM 1057 CA TRP A 238 -3.894 -4.736 -1.577 1.00 0.00 C ATOM 1058 C TRP A 238 -2.923 -4.372 -2.702 1.00 0.00 C ATOM 1059 O TRP A 238 -1.787 -4.013 -2.462 1.00 0.00 O ATOM 1060 CB TRP A 238 -3.638 -3.824 -0.376 1.00 0.00 C ATOM 1061 CG TRP A 238 -4.895 -3.672 0.419 1.00 0.00 C ATOM 1062 CD1 TRP A 238 -5.712 -4.685 0.786 1.00 0.00 C ATOM 1063 CD2 TRP A 238 -5.487 -2.453 0.952 1.00 0.00 C ATOM 1064 NE1 TRP A 238 -6.770 -4.165 1.510 1.00 0.00 N ATOM 1065 CE2 TRP A 238 -6.676 -2.793 1.640 1.00 0.00 C ATOM 1066 CE3 TRP A 238 -5.112 -1.099 0.906 1.00 0.00 C ATOM 1067 CZ2 TRP A 238 -7.464 -1.824 2.260 1.00 0.00 C ATOM 1068 CZ3 TRP A 238 -5.902 -0.120 1.529 1.00 0.00 C ATOM 1069 CH2 TRP A 238 -7.075 -0.481 2.205 1.00 0.00 C ATOM 1070 HE1 TRP A 238 -7.542 -4.737 1.908 1.00 0.00 H ATOM 1071 H TRP A 238 -3.490 -6.391 -0.181 1.00 0.00 H ATOM 1072 N TYR A 239 -3.367 -4.447 -3.929 1.00 0.00 N ATOM 1073 CA TYR A 239 -2.476 -4.091 -5.071 1.00 0.00 C ATOM 1074 C TYR A 239 -2.901 -2.734 -5.636 1.00 0.00 C ATOM 1075 O TYR A 239 -4.070 -2.475 -5.844 1.00 0.00 O ATOM 1076 CB TYR A 239 -2.589 -5.150 -6.173 1.00 0.00 C ATOM 1077 CG TYR A 239 -1.769 -6.364 -5.806 1.00 0.00 C ATOM 1078 CD1 TYR A 239 -0.372 -6.305 -5.866 1.00 0.00 C ATOM 1079 CD2 TYR A 239 -2.404 -7.550 -5.418 1.00 0.00 C ATOM 1080 CE1 TYR A 239 0.391 -7.431 -5.537 1.00 0.00 C ATOM 1081 CE2 TYR A 239 -1.641 -8.676 -5.087 1.00 0.00 C ATOM 1082 CZ TYR A 239 -0.243 -8.616 -5.147 1.00 0.00 C ATOM 1083 OH TYR A 239 0.509 -9.727 -4.822 1.00 0.00 O ATOM 1084 HH TYR A 239 1.471 -9.513 -4.917 1.00 0.00 H ATOM 1085 H TYR A 239 -4.344 -4.756 -4.109 1.00 0.00 H ATOM 1086 N ASP A 240 -1.962 -1.861 -5.878 1.00 0.00 N ATOM 1087 CA ASP A 240 -2.313 -0.519 -6.421 1.00 0.00 C ATOM 1088 C ASP A 240 -2.847 -0.656 -7.849 1.00 0.00 C ATOM 1089 O ASP A 240 -2.466 -1.540 -8.592 1.00 0.00 O ATOM 1090 CB ASP A 240 -1.073 0.380 -6.415 1.00 0.00 C ATOM 1091 CG ASP A 240 0.021 -0.237 -7.290 1.00 0.00 C ATOM 1092 OD1 ASP A 240 -0.280 -1.169 -8.015 1.00 0.00 O ATOM 1093 OD2 ASP A 240 1.144 0.235 -7.218 1.00 0.00 O ATOM 1094 H ASP A 240 -0.968 -2.102 -5.692 1.00 0.00 H ATOM 1095 N ALA A 241 -3.734 0.220 -8.232 1.00 0.00 N ATOM 1096 CA ALA A 241 -4.308 0.158 -9.602 1.00 0.00 C ATOM 1097 C ALA A 241 -5.009 1.482 -9.917 1.00 0.00 C ATOM 1098 O ALA A 241 -5.388 2.218 -9.028 1.00 0.00 O ATOM 1099 CB ALA A 241 -5.321 -0.986 -9.678 1.00 0.00 C ATOM 1100 H ALA A 241 -4.041 0.966 -7.576 1.00 0.00 H ATOM 1101 N GLU A 242 -5.185 1.787 -11.174 1.00 0.00 N ATOM 1102 CA GLU A 242 -5.865 3.061 -11.550 1.00 0.00 C ATOM 1103 C GLU A 242 -7.211 2.744 -12.207 1.00 0.00 C ATOM 1104 O GLU A 242 -7.404 1.680 -12.761 1.00 0.00 O ATOM 1105 CB GLU A 242 -4.988 3.834 -12.537 1.00 0.00 C ATOM 1106 CG GLU A 242 -3.641 4.149 -11.883 1.00 0.00 C ATOM 1107 CD GLU A 242 -2.794 4.992 -12.838 1.00 0.00 C ATOM 1108 OE1 GLU A 242 -1.758 5.475 -12.411 1.00 0.00 O ATOM 1109 OE2 GLU A 242 -3.195 5.140 -13.982 1.00 0.00 O ATOM 1110 H GLU A 242 -4.850 1.140 -11.916 1.00 0.00 H ATOM 1111 N ILE A 243 -8.141 3.658 -12.154 1.00 0.00 N ATOM 1112 CA ILE A 243 -9.469 3.401 -12.782 1.00 0.00 C ATOM 1113 C ILE A 243 -9.354 3.614 -14.292 1.00 0.00 C ATOM 1114 O ILE A 243 -9.059 4.698 -14.755 1.00 0.00 O ATOM 1115 CB ILE A 243 -10.502 4.374 -12.209 1.00 0.00 C ATOM 1116 CG1 ILE A 243 -10.543 4.250 -10.682 1.00 0.00 C ATOM 1117 CG2 ILE A 243 -11.882 4.053 -12.784 1.00 0.00 C ATOM 1118 CD1 ILE A 243 -10.746 2.786 -10.285 1.00 0.00 C ATOM 1119 H ILE A 243 -7.957 4.563 -11.675 1.00 0.00 H ATOM 1120 N SER A 244 -9.576 2.582 -15.061 1.00 0.00 N ATOM 1121 CA SER A 244 -9.470 2.720 -16.540 1.00 0.00 C ATOM 1122 C SER A 244 -10.824 3.117 -17.133 1.00 0.00 C ATOM 1123 O SER A 244 -10.944 4.129 -17.796 1.00 0.00 O ATOM 1124 CB SER A 244 -9.026 1.386 -17.142 1.00 0.00 C ATOM 1125 OG SER A 244 -7.820 0.967 -16.519 1.00 0.00 O ATOM 1126 HG SER A 244 -7.532 0.103 -16.908 1.00 0.00 H ATOM 1127 H SER A 244 -9.827 1.664 -14.641 1.00 0.00 H ATOM 1128 N ARG A 245 -11.844 2.332 -16.912 1.00 0.00 N ATOM 1129 CA ARG A 245 -13.178 2.683 -17.482 1.00 0.00 C ATOM 1130 C ARG A 245 -14.295 2.192 -16.560 1.00 0.00 C ATOM 1131 O ARG A 245 -14.177 1.169 -15.914 1.00 0.00 O ATOM 1132 CB ARG A 245 -13.330 2.027 -18.857 1.00 0.00 C ATOM 1133 CG ARG A 245 -14.640 2.486 -19.500 1.00 0.00 C ATOM 1134 CD ARG A 245 -14.848 1.744 -20.823 1.00 0.00 C ATOM 1135 NE ARG A 245 -13.726 2.061 -21.752 1.00 0.00 N ATOM 1136 CZ ARG A 245 -13.779 3.130 -22.500 1.00 0.00 C ATOM 1137 NH1 ARG A 245 -12.797 3.405 -23.315 1.00 0.00 N ATOM 1138 NH2 ARG A 245 -14.813 3.924 -22.433 1.00 0.00 N ATOM 1139 HE ARG A 245 -12.901 1.430 -21.804 1.00 0.00 H ATOM 1140 HH12 ARG A 245 -12.839 4.256 -23.911 1.00 0.00 H ATOM 1141 HH11 ARG A 245 -11.973 2.773 -23.368 1.00 0.00 H ATOM 1142 HH22 ARG A 245 -14.854 4.775 -23.029 1.00 0.00 H ATOM 1143 HH21 ARG A 245 -15.595 3.705 -21.784 1.00 0.00 H ATOM 1144 H ARG A 245 -11.728 1.469 -16.343 1.00 0.00 H ATOM 1145 N LYS A 246 -15.386 2.911 -16.505 1.00 0.00 N ATOM 1146 CA LYS A 246 -16.523 2.489 -15.638 1.00 0.00 C ATOM 1147 C LYS A 246 -17.694 2.053 -16.524 1.00 0.00 C ATOM 1148 O LYS A 246 -18.013 2.699 -17.502 1.00 0.00 O ATOM 1149 CB LYS A 246 -16.962 3.667 -14.764 1.00 0.00 C ATOM 1150 CG LYS A 246 -15.788 4.132 -13.900 1.00 0.00 C ATOM 1151 CD LYS A 246 -16.284 5.150 -12.871 1.00 0.00 C ATOM 1152 CE LYS A 246 -16.858 6.373 -13.592 1.00 0.00 C ATOM 1153 NZ LYS A 246 -15.995 6.717 -14.756 1.00 0.00 N ATOM 1154 HZ1 LYS A 246 -15.034 6.932 -14.422 1.00 0.00 H ATOM 1155 HZ2 LYS A 246 -15.963 5.911 -15.413 1.00 0.00 H ATOM 1156 HZ3 LYS A 246 -16.387 7.548 -15.243 1.00 0.00 H ATOM 1157 H LYS A 246 -15.461 3.782 -17.069 1.00 0.00 H ATOM 1158 N ARG A 247 -18.335 0.965 -16.191 1.00 0.00 N ATOM 1159 CA ARG A 247 -19.483 0.494 -17.019 1.00 0.00 C ATOM 1160 C ARG A 247 -20.639 0.075 -16.110 1.00 0.00 C ATOM 1161 O ARG A 247 -20.442 -0.563 -15.095 1.00 0.00 O ATOM 1162 CB ARG A 247 -19.045 -0.699 -17.869 1.00 0.00 C ATOM 1163 CG ARG A 247 -20.200 -1.134 -18.774 1.00 0.00 C ATOM 1164 CD ARG A 247 -19.784 -2.369 -19.575 1.00 0.00 C ATOM 1165 NE ARG A 247 -20.872 -2.733 -20.528 1.00 0.00 N ATOM 1166 CZ ARG A 247 -21.033 -2.049 -21.627 1.00 0.00 C ATOM 1167 NH1 ARG A 247 -21.986 -2.368 -22.460 1.00 0.00 N ATOM 1168 NH2 ARG A 247 -20.242 -1.046 -21.893 1.00 0.00 N ATOM 1169 HE ARG A 247 -21.503 -3.532 -20.316 1.00 0.00 H ATOM 1170 HH12 ARG A 247 -22.115 -1.823 -23.336 1.00 0.00 H ATOM 1171 HH11 ARG A 247 -22.617 -3.167 -22.247 1.00 0.00 H ATOM 1172 HH22 ARG A 247 -20.370 -0.501 -22.769 1.00 0.00 H ATOM 1173 HH21 ARG A 247 -19.483 -0.792 -21.229 1.00 0.00 H ATOM 1174 H ARG A 247 -18.045 0.427 -15.349 1.00 0.00 H ATOM 1175 N GLU A 248 -21.846 0.431 -16.468 1.00 0.00 N ATOM 1176 CA GLU A 248 -23.024 0.056 -15.633 1.00 0.00 C ATOM 1177 C GLU A 248 -24.012 -0.754 -16.471 1.00 0.00 C ATOM 1178 O GLU A 248 -24.158 -0.539 -17.658 1.00 0.00 O ATOM 1179 CB GLU A 248 -23.716 1.320 -15.125 1.00 0.00 C ATOM 1180 CG GLU A 248 -24.849 0.936 -14.173 1.00 0.00 C ATOM 1181 CD GLU A 248 -25.607 2.194 -13.746 1.00 0.00 C ATOM 1182 OE1 GLU A 248 -26.537 2.066 -12.967 1.00 0.00 O ATOM 1183 OE2 GLU A 248 -25.245 3.265 -14.205 1.00 0.00 O ATOM 1184 H GLU A 248 -21.985 0.979 -17.341 1.00 0.00 H ATOM 1185 N THR A 249 -24.698 -1.679 -15.856 1.00 0.00 N ATOM 1186 CA THR A 249 -25.691 -2.505 -16.601 1.00 0.00 C ATOM 1187 C THR A 249 -27.072 -2.308 -15.970 1.00 0.00 C ATOM 1188 O THR A 249 -27.203 -1.717 -14.917 1.00 0.00 O ATOM 1189 CB THR A 249 -25.289 -3.981 -16.532 1.00 0.00 C ATOM 1190 OG1 THR A 249 -25.508 -4.470 -15.219 1.00 0.00 O ATOM 1191 CG2 THR A 249 -23.811 -4.127 -16.893 1.00 0.00 C ATOM 1192 HG1 THR A 249 -24.962 -3.949 -14.579 1.00 0.00 H ATOM 1193 H THR A 249 -24.551 -1.841 -14.839 1.00 0.00 H ATOM 1194 N ARG A 250 -28.104 -2.781 -16.612 1.00 0.00 N ATOM 1195 CA ARG A 250 -29.475 -2.600 -16.053 1.00 0.00 C ATOM 1196 C ARG A 250 -29.535 -3.121 -14.613 1.00 0.00 C ATOM 1197 O ARG A 250 -30.216 -2.565 -13.776 1.00 0.00 O ATOM 1198 CB ARG A 250 -30.480 -3.369 -16.913 1.00 0.00 C ATOM 1199 CG ARG A 250 -30.524 -2.761 -18.316 1.00 0.00 C ATOM 1200 CD ARG A 250 -31.623 -3.441 -19.134 1.00 0.00 C ATOM 1201 NE ARG A 250 -31.384 -4.911 -19.163 1.00 0.00 N ATOM 1202 CZ ARG A 250 -32.337 -5.721 -19.536 1.00 0.00 C ATOM 1203 NH1 ARG A 250 -32.127 -7.008 -19.561 1.00 0.00 N ATOM 1204 NH2 ARG A 250 -33.500 -5.243 -19.886 1.00 0.00 N ATOM 1205 HE ARG A 250 -30.457 -5.292 -18.886 1.00 0.00 H ATOM 1206 HH12 ARG A 250 -32.887 -7.653 -19.858 1.00 0.00 H ATOM 1207 HH11 ARG A 250 -31.200 -7.389 -19.284 1.00 0.00 H ATOM 1208 HH22 ARG A 250 -34.259 -5.888 -20.183 1.00 0.00 H ATOM 1209 HH21 ARG A 250 -33.667 -4.217 -19.868 1.00 0.00 H ATOM 1210 H ARG A 250 -27.971 -3.284 -17.513 1.00 0.00 H ATOM 1211 N THR A 251 -28.838 -4.183 -14.314 1.00 0.00 N ATOM 1212 CA THR A 251 -28.877 -4.722 -12.924 1.00 0.00 C ATOM 1213 C THR A 251 -27.490 -5.225 -12.517 1.00 0.00 C ATOM 1214 O THR A 251 -27.358 -6.096 -11.681 1.00 0.00 O ATOM 1215 CB THR A 251 -29.876 -5.880 -12.856 1.00 0.00 C ATOM 1216 OG1 THR A 251 -30.711 -5.850 -14.005 1.00 0.00 O ATOM 1217 CG2 THR A 251 -30.732 -5.745 -11.595 1.00 0.00 C ATOM 1218 HG1 THR A 251 -31.357 -6.599 -13.962 1.00 0.00 H ATOM 1219 H THR A 251 -28.259 -4.651 -15.040 1.00 0.00 H ATOM 1220 N ALA A 252 -26.453 -4.689 -13.099 1.00 0.00 N ATOM 1221 CA ALA A 252 -25.082 -5.148 -12.737 1.00 0.00 C ATOM 1222 C ALA A 252 -24.084 -4.012 -12.962 1.00 0.00 C ATOM 1223 O ALA A 252 -24.309 -3.127 -13.764 1.00 0.00 O ATOM 1224 CB ALA A 252 -24.698 -6.344 -13.610 1.00 0.00 C ATOM 1225 H ALA A 252 -26.582 -3.944 -13.813 1.00 0.00 H ATOM 1226 N ARG A 253 -22.981 -4.033 -12.261 1.00 0.00 N ATOM 1227 CA ARG A 253 -21.962 -2.958 -12.433 1.00 0.00 C ATOM 1228 C ARG A 253 -20.605 -3.588 -12.747 1.00 0.00 C ATOM 1229 O ARG A 253 -20.203 -4.556 -12.132 1.00 0.00 O ATOM 1230 CB ARG A 253 -21.857 -2.150 -11.136 1.00 0.00 C ATOM 1231 CG ARG A 253 -23.190 -1.457 -10.855 1.00 0.00 C ATOM 1232 CD ARG A 253 -23.052 -0.569 -9.616 1.00 0.00 C ATOM 1233 NE ARG A 253 -24.395 -0.057 -9.221 1.00 0.00 N ATOM 1234 CZ ARG A 253 -24.619 0.302 -7.986 1.00 0.00 C ATOM 1235 NH1 ARG A 253 -25.794 0.751 -7.641 1.00 0.00 N ATOM 1236 NH2 ARG A 253 -23.668 0.213 -7.098 1.00 0.00 N ATOM 1237 HE ARG A 253 -25.153 0.014 -9.929 1.00 0.00 H ATOM 1238 HH12 ARG A 253 -25.973 1.037 -6.657 1.00 0.00 H ATOM 1239 HH11 ARG A 253 -26.552 0.823 -8.350 1.00 0.00 H ATOM 1240 HH22 ARG A 253 -23.847 0.499 -6.114 1.00 0.00 H ATOM 1241 HH21 ARG A 253 -22.731 -0.144 -7.374 1.00 0.00 H ATOM 1242 H ARG A 253 -22.814 -4.802 -11.581 1.00 0.00 H ATOM 1243 N GLU A 254 -19.891 -3.040 -13.694 1.00 0.00 N ATOM 1244 CA GLU A 254 -18.553 -3.597 -14.043 1.00 0.00 C ATOM 1245 C GLU A 254 -17.528 -2.462 -14.063 1.00 0.00 C ATOM 1246 O GLU A 254 -17.743 -1.433 -14.672 1.00 0.00 O ATOM 1247 CB GLU A 254 -18.617 -4.257 -15.422 1.00 0.00 C ATOM 1248 CG GLU A 254 -19.623 -5.409 -15.390 1.00 0.00 C ATOM 1249 CD GLU A 254 -19.631 -6.119 -16.745 1.00 0.00 C ATOM 1250 OE1 GLU A 254 -19.021 -5.602 -17.666 1.00 0.00 O ATOM 1251 OE2 GLU A 254 -20.250 -7.167 -16.839 1.00 0.00 O ATOM 1252 H GLU A 254 -20.257 -2.212 -14.206 1.00 0.00 H ATOM 1253 N LEU A 255 -16.419 -2.641 -13.397 1.00 0.00 N ATOM 1254 CA LEU A 255 -15.378 -1.573 -13.366 1.00 0.00 C ATOM 1255 C LEU A 255 -14.097 -2.077 -14.035 1.00 0.00 C ATOM 1256 O LEU A 255 -13.713 -3.219 -13.876 1.00 0.00 O ATOM 1257 CB LEU A 255 -15.063 -1.202 -11.912 1.00 0.00 C ATOM 1258 CG LEU A 255 -16.086 -0.188 -11.388 1.00 0.00 C ATOM 1259 CD1 LEU A 255 -15.937 1.133 -12.148 1.00 0.00 C ATOM 1260 CD2 LEU A 255 -17.503 -0.730 -11.581 1.00 0.00 C ATOM 1261 H LEU A 255 -16.261 -3.533 -12.886 1.00 0.00 H ATOM 1262 N TYR A 256 -13.421 -1.224 -14.759 1.00 0.00 N ATOM 1263 CA TYR A 256 -12.149 -1.642 -15.414 1.00 0.00 C ATOM 1264 C TYR A 256 -11.001 -0.865 -14.772 1.00 0.00 C ATOM 1265 O TYR A 256 -11.079 0.333 -14.583 1.00 0.00 O ATOM 1266 CB TYR A 256 -12.211 -1.324 -16.910 1.00 0.00 C ATOM 1267 CG TYR A 256 -13.288 -2.161 -17.559 1.00 0.00 C ATOM 1268 CD1 TYR A 256 -12.998 -3.463 -17.985 1.00 0.00 C ATOM 1269 CD2 TYR A 256 -14.574 -1.637 -17.736 1.00 0.00 C ATOM 1270 CE1 TYR A 256 -13.995 -4.241 -18.586 1.00 0.00 C ATOM 1271 CE2 TYR A 256 -15.571 -2.415 -18.337 1.00 0.00 C ATOM 1272 CZ TYR A 256 -15.281 -3.717 -18.762 1.00 0.00 C ATOM 1273 OH TYR A 256 -16.263 -4.484 -19.356 1.00 0.00 O ATOM 1274 HH TYR A 256 -17.017 -4.600 -18.725 1.00 0.00 H ATOM 1275 H TYR A 256 -13.771 -0.252 -14.878 1.00 0.00 H ATOM 1276 N ALA A 257 -9.942 -1.536 -14.420 1.00 0.00 N ATOM 1277 CA ALA A 257 -8.800 -0.832 -13.773 1.00 0.00 C ATOM 1278 C ALA A 257 -7.478 -1.453 -14.219 1.00 0.00 C ATOM 1279 O ALA A 257 -7.430 -2.579 -14.676 1.00 0.00 O ATOM 1280 CB ALA A 257 -8.926 -0.947 -12.255 1.00 0.00 C ATOM 1281 H ALA A 257 -9.894 -2.561 -14.590 1.00 0.00 H ATOM 1282 N ASN A 258 -6.402 -0.733 -14.072 1.00 0.00 N ATOM 1283 CA ASN A 258 -5.078 -1.282 -14.467 1.00 0.00 C ATOM 1284 C ASN A 258 -4.340 -1.706 -13.196 1.00 0.00 C ATOM 1285 O ASN A 258 -4.250 -0.953 -12.249 1.00 0.00 O ATOM 1286 CB ASN A 258 -4.273 -0.199 -15.191 1.00 0.00 C ATOM 1287 CG ASN A 258 -4.950 0.141 -16.519 1.00 0.00 C ATOM 1288 OD1 ASN A 258 -5.773 -0.610 -17.005 1.00 0.00 O ATOM 1289 ND2 ASN A 258 -4.637 1.250 -17.131 1.00 0.00 N ATOM 1290 HD22 ASN A 258 -3.933 1.893 -16.715 1.00 0.00 H ATOM 1291 HD21 ASN A 258 -5.092 1.491 -18.035 1.00 0.00 H ATOM 1292 H ASN A 258 -6.469 0.227 -13.678 1.00 0.00 H ATOM 1293 N VAL A 259 -3.829 -2.911 -13.158 1.00 0.00 N ATOM 1294 CA VAL A 259 -3.120 -3.381 -11.930 1.00 0.00 C ATOM 1295 C VAL A 259 -1.624 -3.517 -12.205 1.00 0.00 C ATOM 1296 O VAL A 259 -1.213 -4.024 -13.231 1.00 0.00 O ATOM 1297 CB VAL A 259 -3.689 -4.735 -11.503 1.00 0.00 C ATOM 1298 CG1 VAL A 259 -2.955 -5.226 -10.254 1.00 0.00 C ATOM 1299 CG2 VAL A 259 -5.178 -4.582 -11.191 1.00 0.00 C ATOM 1300 H VAL A 259 -3.917 -3.540 -13.982 1.00 0.00 H ATOM 1301 N VAL A 260 -0.807 -3.061 -11.293 1.00 0.00 N ATOM 1302 CA VAL A 260 0.667 -3.151 -11.490 1.00 0.00 C ATOM 1303 C VAL A 260 1.277 -4.037 -10.398 1.00 0.00 C ATOM 1304 O VAL A 260 1.013 -3.857 -9.225 1.00 0.00 O ATOM 1305 CB VAL A 260 1.267 -1.748 -11.391 1.00 0.00 C ATOM 1306 CG1 VAL A 260 2.700 -1.765 -11.928 1.00 0.00 C ATOM 1307 CG2 VAL A 260 0.418 -0.771 -12.208 1.00 0.00 C ATOM 1308 H VAL A 260 -1.188 -2.633 -10.425 1.00 0.00 H ATOM 1309 N LEU A 261 2.099 -4.982 -10.768 1.00 0.00 N ATOM 1310 CA LEU A 261 2.730 -5.861 -9.742 1.00 0.00 C ATOM 1311 C LEU A 261 4.135 -5.338 -9.435 1.00 0.00 C ATOM 1312 O LEU A 261 4.683 -4.540 -10.167 1.00 0.00 O ATOM 1313 CB LEU A 261 2.819 -7.300 -10.256 1.00 0.00 C ATOM 1314 CG LEU A 261 1.443 -7.754 -10.746 1.00 0.00 C ATOM 1315 CD1 LEU A 261 1.501 -9.230 -11.150 1.00 0.00 C ATOM 1316 CD2 LEU A 261 0.418 -7.578 -9.623 1.00 0.00 C ATOM 1317 H LEU A 261 2.313 -5.121 -11.776 1.00 0.00 H ATOM 1318 N GLY A 262 4.715 -5.773 -8.353 1.00 0.00 N ATOM 1319 CA GLY A 262 6.078 -5.292 -7.993 1.00 0.00 C ATOM 1320 C GLY A 262 6.985 -5.311 -9.228 1.00 0.00 C ATOM 1321 O GLY A 262 7.897 -4.515 -9.347 1.00 0.00 O ATOM 1322 H GLY A 262 4.226 -6.456 -7.740 1.00 0.00 H ATOM 1323 N ASP A 263 6.753 -6.208 -10.148 1.00 0.00 N ATOM 1324 CA ASP A 263 7.618 -6.260 -11.363 1.00 0.00 C ATOM 1325 C ASP A 263 6.771 -6.565 -12.602 1.00 0.00 C ATOM 1326 O ASP A 263 7.028 -6.061 -13.678 1.00 0.00 O ATOM 1327 CB ASP A 263 8.672 -7.355 -11.189 1.00 0.00 C ATOM 1328 CG ASP A 263 9.628 -7.337 -12.383 1.00 0.00 C ATOM 1329 OD1 ASP A 263 9.528 -6.419 -13.181 1.00 0.00 O ATOM 1330 OD2 ASP A 263 10.440 -8.241 -12.481 1.00 0.00 O ATOM 1331 H ASP A 263 5.970 -6.883 -10.035 1.00 0.00 H ATOM 1332 N ASP A 264 5.771 -7.391 -12.465 1.00 0.00 N ATOM 1333 CA ASP A 264 4.919 -7.732 -13.642 1.00 0.00 C ATOM 1334 C ASP A 264 3.817 -6.684 -13.810 1.00 0.00 C ATOM 1335 O ASP A 264 3.451 -5.998 -12.878 1.00 0.00 O ATOM 1336 CB ASP A 264 4.285 -9.107 -13.429 1.00 0.00 C ATOM 1337 CG ASP A 264 5.373 -10.182 -13.457 1.00 0.00 C ATOM 1338 OD1 ASP A 264 6.483 -9.864 -13.852 1.00 0.00 O ATOM 1339 OD2 ASP A 264 5.079 -11.305 -13.081 1.00 0.00 O ATOM 1340 H ASP A 264 5.567 -7.812 -11.536 1.00 0.00 H ATOM 1341 N SER A 265 3.286 -6.556 -14.998 1.00 0.00 N ATOM 1342 CA SER A 265 2.203 -5.558 -15.230 1.00 0.00 C ATOM 1343 C SER A 265 0.923 -6.285 -15.645 1.00 0.00 C ATOM 1344 O SER A 265 0.960 -7.324 -16.271 1.00 0.00 O ATOM 1345 CB SER A 265 2.619 -4.593 -16.338 1.00 0.00 C ATOM 1346 OG SER A 265 2.790 -5.316 -17.551 1.00 0.00 O ATOM 1347 HG SER A 265 1.937 -5.754 -17.796 1.00 0.00 H ATOM 1348 H SER A 265 3.620 -7.152 -15.783 1.00 0.00 H ATOM 1349 N LEU A 266 -0.206 -5.737 -15.298 1.00 0.00 N ATOM 1350 CA LEU A 266 -1.501 -6.377 -15.660 1.00 0.00 C ATOM 1351 C LEU A 266 -2.504 -5.285 -16.031 1.00 0.00 C ATOM 1352 O LEU A 266 -3.668 -5.347 -15.687 1.00 0.00 O ATOM 1353 CB LEU A 266 -2.028 -7.183 -14.469 1.00 0.00 C ATOM 1354 CG LEU A 266 -1.096 -8.366 -14.194 1.00 0.00 C ATOM 1355 CD1 LEU A 266 -1.550 -9.084 -12.922 1.00 0.00 C ATOM 1356 CD2 LEU A 266 -1.148 -9.348 -15.369 1.00 0.00 C ATOM 1357 H LEU A 266 -0.203 -4.845 -14.764 1.00 0.00 H ATOM 1358 N ASN A 267 -2.052 -4.272 -16.718 1.00 0.00 N ATOM 1359 CA ASN A 267 -2.966 -3.161 -17.102 1.00 0.00 C ATOM 1360 C ASN A 267 -4.168 -3.718 -17.867 1.00 0.00 C ATOM 1361 O ASN A 267 -4.168 -4.851 -18.307 1.00 0.00 O ATOM 1362 CB ASN A 267 -2.214 -2.169 -17.990 1.00 0.00 C ATOM 1363 CG ASN A 267 -0.943 -1.705 -17.275 1.00 0.00 C ATOM 1364 OD1 ASN A 267 0.099 -1.576 -17.886 1.00 0.00 O ATOM 1365 ND2 ASN A 267 -0.985 -1.447 -15.996 1.00 0.00 N ATOM 1366 HD22 ASN A 267 -1.877 -1.557 -15.472 1.00 0.00 H ATOM 1367 HD21 ASN A 267 -0.127 -1.131 -15.501 1.00 0.00 H ATOM 1368 H ASN A 267 -1.051 -4.240 -16.998 1.00 0.00 H ATOM 1369 N ASP A 268 -5.196 -2.926 -18.024 1.00 0.00 N ATOM 1370 CA ASP A 268 -6.409 -3.396 -18.756 1.00 0.00 C ATOM 1371 C ASP A 268 -6.944 -4.668 -18.098 1.00 0.00 C ATOM 1372 O ASP A 268 -7.206 -5.656 -18.756 1.00 0.00 O ATOM 1373 CB ASP A 268 -6.054 -3.682 -20.218 1.00 0.00 C ATOM 1374 CG ASP A 268 -5.629 -2.382 -20.905 1.00 0.00 C ATOM 1375 OD1 ASP A 268 -5.882 -1.329 -20.342 1.00 0.00 O ATOM 1376 OD2 ASP A 268 -5.060 -2.461 -21.981 1.00 0.00 O ATOM 1377 H ASP A 268 -5.169 -1.961 -17.636 1.00 0.00 H ATOM 1378 N CYS A 269 -7.110 -4.648 -16.803 1.00 0.00 N ATOM 1379 CA CYS A 269 -7.630 -5.851 -16.090 1.00 0.00 C ATOM 1380 C CYS A 269 -9.017 -5.544 -15.520 1.00 0.00 C ATOM 1381 O CYS A 269 -9.335 -4.414 -15.208 1.00 0.00 O ATOM 1382 CB CYS A 269 -6.680 -6.215 -14.947 1.00 0.00 C ATOM 1383 SG CYS A 269 -7.260 -7.726 -14.139 1.00 0.00 S ATOM 1384 H CYS A 269 -6.878 -3.788 -16.265 1.00 0.00 H ATOM 1385 N ARG A 270 -9.846 -6.543 -15.385 1.00 0.00 N ATOM 1386 CA ARG A 270 -11.213 -6.311 -14.839 1.00 0.00 C ATOM 1387 C ARG A 270 -11.198 -6.523 -13.324 1.00 0.00 C ATOM 1388 O ARG A 270 -10.537 -7.409 -12.821 1.00 0.00 O ATOM 1389 CB ARG A 270 -12.194 -7.295 -15.480 1.00 0.00 C ATOM 1390 CG ARG A 270 -12.287 -7.020 -16.981 1.00 0.00 C ATOM 1391 CD ARG A 270 -13.380 -7.894 -17.600 1.00 0.00 C ATOM 1392 NE ARG A 270 -13.107 -9.330 -17.299 1.00 0.00 N ATOM 1393 CZ ARG A 270 -13.610 -9.888 -16.229 1.00 0.00 C ATOM 1394 NH1 ARG A 270 -13.379 -11.148 -15.984 1.00 0.00 N ATOM 1395 NH2 ARG A 270 -14.336 -9.186 -15.400 1.00 0.00 N ATOM 1396 HE ARG A 270 -12.513 -9.890 -17.944 1.00 0.00 H ATOM 1397 HH12 ARG A 270 -13.778 -11.594 -15.133 1.00 0.00 H ATOM 1398 HH11 ARG A 270 -12.796 -11.707 -16.639 1.00 0.00 H ATOM 1399 HH22 ARG A 270 -14.734 -9.634 -14.550 1.00 0.00 H ATOM 1400 HH21 ARG A 270 -14.516 -8.179 -15.590 1.00 0.00 H ATOM 1401 H ARG A 270 -9.552 -7.502 -15.659 1.00 0.00 H ATOM 1402 N ILE A 271 -11.915 -5.714 -12.594 1.00 0.00 N ATOM 1403 CA ILE A 271 -11.932 -5.873 -11.113 1.00 0.00 C ATOM 1404 C ILE A 271 -13.203 -6.615 -10.698 1.00 0.00 C ATOM 1405 O ILE A 271 -14.304 -6.133 -10.880 1.00 0.00 O ATOM 1406 CB ILE A 271 -11.918 -4.490 -10.457 1.00 0.00 C ATOM 1407 CG1 ILE A 271 -10.787 -3.643 -11.055 1.00 0.00 C ATOM 1408 CG2 ILE A 271 -11.694 -4.642 -8.952 1.00 0.00 C ATOM 1409 CD1 ILE A 271 -9.499 -4.467 -11.111 1.00 0.00 C ATOM 1410 H ILE A 271 -12.473 -4.961 -13.044 1.00 0.00 H ATOM 1411 N ILE A 272 -13.060 -7.788 -10.141 1.00 0.00 N ATOM 1412 CA ILE A 272 -14.259 -8.562 -9.716 1.00 0.00 C ATOM 1413 C ILE A 272 -14.951 -7.860 -8.548 1.00 0.00 C ATOM 1414 O ILE A 272 -16.161 -7.775 -8.494 1.00 0.00 O ATOM 1415 CB ILE A 272 -13.836 -9.962 -9.280 1.00 0.00 C ATOM 1416 CG1 ILE A 272 -13.190 -10.688 -10.461 1.00 0.00 C ATOM 1417 CG2 ILE A 272 -15.066 -10.739 -8.808 1.00 0.00 C ATOM 1418 CD1 ILE A 272 -12.655 -12.044 -9.999 1.00 0.00 C ATOM 1419 H ILE A 272 -12.108 -8.181 -9.994 1.00 0.00 H ATOM 1420 N PHE A 273 -14.198 -7.360 -7.605 1.00 0.00 N ATOM 1421 CA PHE A 273 -14.833 -6.676 -6.448 1.00 0.00 C ATOM 1422 C PHE A 273 -14.799 -5.165 -6.673 1.00 0.00 C ATOM 1423 O PHE A 273 -13.748 -4.558 -6.734 1.00 0.00 O ATOM 1424 CB PHE A 273 -14.063 -7.013 -5.167 1.00 0.00 C ATOM 1425 CG PHE A 273 -14.129 -8.500 -4.903 1.00 0.00 C ATOM 1426 CD1 PHE A 273 -15.307 -9.072 -4.406 1.00 0.00 C ATOM 1427 CD2 PHE A 273 -13.008 -9.306 -5.146 1.00 0.00 C ATOM 1428 CE1 PHE A 273 -15.365 -10.449 -4.155 1.00 0.00 C ATOM 1429 CE2 PHE A 273 -13.067 -10.683 -4.894 1.00 0.00 C ATOM 1430 CZ PHE A 273 -14.246 -11.254 -4.399 1.00 0.00 C ATOM 1431 H PHE A 273 -13.163 -7.440 -7.663 1.00 0.00 H ATOM 1432 N VAL A 274 -15.943 -4.553 -6.789 1.00 0.00 N ATOM 1433 CA VAL A 274 -15.982 -3.079 -7.004 1.00 0.00 C ATOM 1434 C VAL A 274 -16.224 -2.381 -5.665 1.00 0.00 C ATOM 1435 O VAL A 274 -15.802 -1.262 -5.447 1.00 0.00 O ATOM 1436 CB VAL A 274 -17.116 -2.735 -7.971 1.00 0.00 C ATOM 1437 CG1 VAL A 274 -17.009 -3.616 -9.216 1.00 0.00 C ATOM 1438 CG2 VAL A 274 -18.461 -2.982 -7.286 1.00 0.00 C ATOM 1439 H VAL A 274 -16.830 -5.093 -6.732 1.00 0.00 H ATOM 1440 N ASP A 275 -16.908 -3.036 -4.769 1.00 0.00 N ATOM 1441 CA ASP A 275 -17.192 -2.423 -3.441 1.00 0.00 C ATOM 1442 C ASP A 275 -15.883 -2.158 -2.693 1.00 0.00 C ATOM 1443 O ASP A 275 -15.770 -1.209 -1.943 1.00 0.00 O ATOM 1444 CB ASP A 275 -18.063 -3.375 -2.618 1.00 0.00 C ATOM 1445 CG ASP A 275 -19.438 -3.506 -3.276 1.00 0.00 C ATOM 1446 OD1 ASP A 275 -19.736 -2.703 -4.145 1.00 0.00 O ATOM 1447 OD2 ASP A 275 -20.169 -4.407 -2.899 1.00 0.00 O ATOM 1448 H ASP A 275 -17.257 -3.992 -4.982 1.00 0.00 H ATOM 1449 N GLU A 276 -14.897 -2.996 -2.873 1.00 0.00 N ATOM 1450 CA GLU A 276 -13.611 -2.790 -2.150 1.00 0.00 C ATOM 1451 C GLU A 276 -12.744 -1.779 -2.903 1.00 0.00 C ATOM 1452 O GLU A 276 -11.903 -2.142 -3.701 1.00 0.00 O ATOM 1453 CB GLU A 276 -12.863 -4.121 -2.056 1.00 0.00 C ATOM 1454 CG GLU A 276 -13.732 -5.147 -1.326 1.00 0.00 C ATOM 1455 CD GLU A 276 -12.944 -6.446 -1.145 1.00 0.00 C ATOM 1456 OE1 GLU A 276 -13.423 -7.312 -0.431 1.00 0.00 O ATOM 1457 OE2 GLU A 276 -11.876 -6.554 -1.724 1.00 0.00 O ATOM 1458 H GLU A 276 -15.009 -3.804 -3.518 1.00 0.00 H ATOM 1459 N VAL A 277 -12.932 -0.515 -2.638 1.00 0.00 N ATOM 1460 CA VAL A 277 -12.112 0.529 -3.317 1.00 0.00 C ATOM 1461 C VAL A 277 -11.422 1.375 -2.249 1.00 0.00 C ATOM 1462 O VAL A 277 -12.033 1.757 -1.270 1.00 0.00 O ATOM 1463 CB VAL A 277 -13.012 1.428 -4.162 1.00 0.00 C ATOM 1464 CG1 VAL A 277 -12.151 2.295 -5.080 1.00 0.00 C ATOM 1465 CG2 VAL A 277 -13.956 0.565 -5.005 1.00 0.00 C ATOM 1466 H VAL A 277 -13.658 -0.234 -1.949 1.00 0.00 H ATOM 1467 N PHE A 278 -10.163 1.675 -2.420 1.00 0.00 N ATOM 1468 CA PHE A 278 -9.458 2.501 -1.399 1.00 0.00 C ATOM 1469 C PHE A 278 -8.702 3.647 -2.067 1.00 0.00 C ATOM 1470 O PHE A 278 -8.210 3.531 -3.170 1.00 0.00 O ATOM 1471 CB PHE A 278 -8.482 1.629 -0.612 1.00 0.00 C ATOM 1472 CG PHE A 278 -9.094 1.297 0.727 1.00 0.00 C ATOM 1473 CD1 PHE A 278 -9.207 2.292 1.707 1.00 0.00 C ATOM 1474 CD2 PHE A 278 -9.554 0.001 0.988 1.00 0.00 C ATOM 1475 CE1 PHE A 278 -9.778 1.989 2.948 1.00 0.00 C ATOM 1476 CE2 PHE A 278 -10.124 -0.302 2.230 1.00 0.00 C ATOM 1477 CZ PHE A 278 -10.236 0.692 3.210 1.00 0.00 C ATOM 1478 H PHE A 278 -9.655 1.340 -3.263 1.00 0.00 H ATOM 1479 N LYS A 279 -8.613 4.753 -1.388 1.00 0.00 N ATOM 1480 CA LYS A 279 -7.897 5.937 -1.942 1.00 0.00 C ATOM 1481 C LYS A 279 -6.495 6.022 -1.332 1.00 0.00 C ATOM 1482 O LYS A 279 -6.279 5.652 -0.195 1.00 0.00 O ATOM 1483 CB LYS A 279 -8.686 7.196 -1.582 1.00 0.00 C ATOM 1484 CG LYS A 279 -8.016 8.432 -2.179 1.00 0.00 C ATOM 1485 CD LYS A 279 -8.673 9.679 -1.590 1.00 0.00 C ATOM 1486 CE LYS A 279 -8.310 10.901 -2.436 1.00 0.00 C ATOM 1487 NZ LYS A 279 -9.492 11.317 -3.241 1.00 0.00 N ATOM 1488 HZ1 LYS A 279 -9.778 10.535 -3.865 1.00 0.00 H ATOM 1489 HZ2 LYS A 279 -10.277 11.557 -2.603 1.00 0.00 H ATOM 1490 HZ3 LYS A 279 -9.244 12.148 -3.815 1.00 0.00 H ATOM 1491 H LYS A 279 -9.048 4.812 -0.445 1.00 0.00 H ATOM 1492 N ILE A 280 -5.540 6.508 -2.080 1.00 0.00 N ATOM 1493 CA ILE A 280 -4.154 6.619 -1.542 1.00 0.00 C ATOM 1494 C ILE A 280 -3.877 8.070 -1.144 1.00 0.00 C ATOM 1495 O ILE A 280 -4.171 8.993 -1.877 1.00 0.00 O ATOM 1496 CB ILE A 280 -3.150 6.194 -2.612 1.00 0.00 C ATOM 1497 CG1 ILE A 280 -3.450 4.763 -3.060 1.00 0.00 C ATOM 1498 CG2 ILE A 280 -1.733 6.259 -2.038 1.00 0.00 C ATOM 1499 CD1 ILE A 280 -2.499 4.377 -4.193 1.00 0.00 C ATOM 1500 H ILE A 280 -5.747 6.818 -3.051 1.00 0.00 H ATOM 1501 N GLU A 281 -3.317 8.277 0.016 1.00 0.00 N ATOM 1502 CA GLU A 281 -3.022 9.668 0.464 1.00 0.00 C ATOM 1503 C GLU A 281 -1.532 9.959 0.283 1.00 0.00 C ATOM 1504 O GLU A 281 -0.700 9.081 0.393 1.00 0.00 O ATOM 1505 CB GLU A 281 -3.390 9.815 1.943 1.00 0.00 C ATOM 1506 CG GLU A 281 -4.887 9.556 2.128 1.00 0.00 C ATOM 1507 CD GLU A 281 -5.689 10.607 1.359 1.00 0.00 C ATOM 1508 OE1 GLU A 281 -5.120 11.635 1.031 1.00 0.00 O ATOM 1509 OE2 GLU A 281 -6.858 10.366 1.111 1.00 0.00 O ATOM 1510 H GLU A 281 -3.076 7.472 0.628 1.00 0.00 H ATOM 1511 N ARG A 282 -1.189 11.188 0.010 1.00 0.00 N ATOM 1512 CA ARG A 282 0.247 11.540 -0.174 1.00 0.00 C ATOM 1513 C ARG A 282 0.544 12.853 0.557 1.00 0.00 C ATOM 1514 O ARG A 282 -0.339 13.654 0.787 1.00 0.00 O ATOM 1515 CB ARG A 282 0.542 11.709 -1.666 1.00 0.00 C ATOM 1516 CG ARG A 282 -0.739 12.115 -2.396 1.00 0.00 C ATOM 1517 CD ARG A 282 -0.378 12.886 -3.667 1.00 0.00 C ATOM 1518 NE ARG A 282 0.782 12.228 -4.333 1.00 0.00 N ATOM 1519 CZ ARG A 282 1.568 12.923 -5.111 1.00 0.00 C ATOM 1520 NH1 ARG A 282 2.585 12.346 -5.691 1.00 0.00 N ATOM 1521 NH2 ARG A 282 1.337 14.191 -5.309 1.00 0.00 N ATOM 1522 HE ARG A 282 0.965 11.216 -4.178 1.00 0.00 H ATOM 1523 HH12 ARG A 282 3.212 12.898 -6.311 1.00 0.00 H ATOM 1524 HH11 ARG A 282 2.768 11.335 -5.533 1.00 0.00 H ATOM 1525 HH22 ARG A 282 1.964 14.743 -5.929 1.00 0.00 H ATOM 1526 HH21 ARG A 282 0.526 14.650 -4.847 1.00 0.00 H ATOM 1527 H ARG A 282 -1.919 11.923 -0.079 1.00 0.00 H ATOM 1528 N PRO A 283 1.781 13.072 0.915 1.00 0.00 N ATOM 1529 CA PRO A 283 2.206 14.311 1.631 1.00 0.00 C ATOM 1530 C PRO A 283 1.965 15.571 0.795 1.00 0.00 C ATOM 1531 O PRO A 283 1.836 16.660 1.318 1.00 0.00 O ATOM 1532 CB PRO A 283 3.704 14.110 1.882 1.00 0.00 C ATOM 1533 CG PRO A 283 4.136 13.038 0.938 1.00 0.00 C ATOM 1534 CD PRO A 283 2.912 12.163 0.679 1.00 0.00 C ATOM 1535 N GLY A 284 1.907 15.431 -0.501 1.00 0.00 N ATOM 1536 CA GLY A 284 1.677 16.618 -1.371 1.00 0.00 C ATOM 1537 C GLY A 284 3.015 17.152 -1.873 1.00 0.00 C ATOM 1538 O GLY A 284 3.074 18.136 -2.583 1.00 0.00 O ATOM 1539 H GLY A 284 2.022 14.489 -0.927 1.00 0.00 H ATOM 1540 N GLU A 285 4.092 16.512 -1.512 1.00 0.00 N ATOM 1541 CA GLU A 285 5.421 16.992 -1.973 1.00 0.00 C ATOM 1542 C GLU A 285 6.497 15.981 -1.570 1.00 0.00 C ATOM 1543 O GLU A 285 7.266 16.292 -0.675 1.00 0.00 O ATOM 1544 CB GLU A 285 5.721 18.345 -1.327 1.00 0.00 C ATOM 1545 CG GLU A 285 6.933 18.970 -2.010 1.00 0.00 C ATOM 1546 CD GLU A 285 7.312 20.268 -1.296 1.00 0.00 C ATOM 1547 OE1 GLU A 285 6.651 20.603 -0.327 1.00 0.00 O ATOM 1548 OE2 GLU A 285 8.258 20.905 -1.730 1.00 0.00 O ATOM 1549 OXT GLU A 285 6.533 14.916 -2.161 1.00 0.00 O ATOM 1550 H GLU A 285 4.022 15.670 -0.905 1.00 0.00 H TER 1551 GLU A 285 HETATM 1552 N THR A 1 -3.390 3.101 22.374 1.00 0.24 N HETATM 1553 CA THR A 1 -4.525 3.253 21.421 1.00 0.09 C HETATM 1554 C THR A 1 -5.774 2.591 22.006 1.00 0.23 C HETATM 1555 O THR A 1 -6.808 3.213 22.154 1.00 -0.39 O HETATM 1556 N THR A 1 -5.688 1.332 22.342 1.00 -0.26 N HETATM 1557 CA THR A 1 -6.870 0.632 22.918 1.00 0.12 C HETATM 1558 C THR A 1 -6.461 -0.770 23.373 1.00 0.20 C HETATM 1559 O THR A 1 -5.306 -1.142 23.308 1.00 -0.39 O HETATM 1560 N THR A 1 -7.399 -1.553 23.834 1.00 -0.26 N HETATM 1561 CA THR A 1 -7.062 -2.929 24.291 1.00 0.13 C HETATM 1562 C THR A 1 -6.427 -3.710 23.139 1.00 0.20 C HETATM 1563 O THR A 1 -5.537 -4.513 23.335 1.00 -0.39 O HETATM 1564 N THR A 1 -6.876 -3.481 21.934 1.00 -0.27 N HETATM 1565 CA THR A 1 -6.296 -4.211 20.772 1.00 0.12 C HETATM 1566 C THR A 1 -6.288 -3.299 19.544 1.00 0.20 C HETATM 1567 O THR A 1 -6.855 -2.225 19.553 1.00 -0.39 O HETATM 1568 N THR A 1 -5.650 -3.722 18.487 1.00 -0.26 N HETATM 1569 CA THR A 1 -5.603 -2.885 17.253 1.00 0.13 C HETATM 1570 C THR A 1 -6.527 -3.490 16.193 1.00 0.20 C HETATM 1571 O THR A 1 -6.744 -4.684 16.155 1.00 -0.39 O HETATM 1572 N THR A 1 -7.072 -2.675 15.332 1.00 -0.26 N HETATM 1573 CA THR A 1 -7.979 -3.210 14.277 1.00 0.14 C HETATM 1574 C THR A 1 -7.211 -3.328 12.960 1.00 0.21 C HETATM 1575 O THR A 1 -6.428 -2.467 12.608 1.00 -0.39 O HETATM 1576 N THR A 1 -7.427 -4.391 12.230 1.00 -0.26 N HETATM 1577 CA THR A 1 -6.710 -4.575 10.936 1.00 0.13 C HETATM 1578 C THR A 1 -7.709 -4.545 9.780 1.00 0.20 C HETATM 1579 O THR A 1 -8.876 -4.844 9.945 1.00 -0.39 O HETATM 1580 N THR A 1 -7.257 -4.193 8.610 1.00 -0.26 N HETATM 1581 CA THR A 1 -8.175 -4.150 7.438 1.00 0.13 C HETATM 1582 C THR A 1 -8.235 -5.538 6.796 1.00 0.20 C HETATM 1583 O THR A 1 -7.323 -6.331 6.928 1.00 -0.39 O HETATM 1584 N THR A 1 -9.306 -5.849 6.118 1.00 -0.26 N HETATM 1585 CA THR A 1 -9.422 -7.196 5.490 1.00 0.13 C HETATM 1586 C THR A 1 -8.565 -7.266 4.227 1.00 0.20 C HETATM 1587 O THR A 1 -8.589 -6.383 3.392 1.00 -0.39 O HETATM 1588 N THR A 1 -7.814 -8.321 4.081 1.00 -0.26 N HETATM 1589 CA THR A 1 -6.955 -8.475 2.875 1.00 0.15 C HETATM 1590 C THR A 1 -6.441 -9.915 2.809 1.00 0.21 C HETATM 1591 O THR A 1 -5.931 -10.442 3.778 1.00 -0.39 O HETATM 1592 N THR A 1 -6.566 -10.558 1.683 1.00 -0.26 N HETATM 1593 CA THR A 1 -6.077 -11.960 1.579 1.00 0.13 C HETATM 1594 C THR A 1 -5.732 -12.285 0.124 1.00 0.20 C HETATM 1595 O THR A 1 -6.309 -11.742 -0.803 1.00 -0.39 O HETATM 1596 N THR A 1 -4.797 -13.174 -0.080 1.00 -0.27 N HETATM 1597 CA THR A 1 -4.407 -13.548 -1.468 1.00 0.12 C HETATM 1598 C THR A 1 -3.411 -14.707 -1.428 1.00 0.20 C HETATM 1599 O THR A 1 -3.113 -15.247 -0.381 1.00 -0.39 O HETATM 1600 N THR A 1 -2.893 -15.095 -2.562 1.00 -0.27 N HETATM 1601 CA THR A 1 -1.917 -16.220 -2.592 1.00 0.12 C HETATM 1602 C THR A 1 -2.669 -17.547 -2.695 1.00 0.20 C HETATM 1603 O THR A 1 -3.865 -17.575 -2.911 1.00 -0.39 O HETATM 1604 N THR A 1 -1.978 -18.645 -2.542 1.00 -0.27 N HETATM 1605 CA THR A 1 -2.649 -19.975 -2.630 1.00 0.12 C HETATM 1606 C THR A 1 -2.294 -20.810 -1.400 1.00 0.20 C HETATM 1607 O THR A 1 -1.468 -21.700 -1.462 1.00 -0.39 O HETATM 1608 N THR A 1 -2.916 -20.524 -0.289 1.00 -0.25 N HETATM 1609 CA THR A 1 -2.669 -21.257 0.986 1.00 0.13 C HETATM 1610 C THR A 1 -2.852 -22.770 0.828 1.00 0.20 C HETATM 1611 O THR A 1 -3.708 -23.226 0.096 1.00 -0.39 O HETATM 1612 N THR A 1 -2.052 -23.548 1.508 1.00 -0.27 N HETATM 1613 CA THR A 1 -2.176 -25.030 1.399 1.00 0.12 C HETATM 1614 C THR A 1 -2.743 -25.591 2.705 1.00 0.06 C HETATM 1615 O THR A 1 -2.026 -26.312 3.378 1.00 -0.57 O HETATM 1616 OXT THR A 1 -3.886 -25.289 3.009 1.00 -0.57 O HETATM 1617 CB THR A 1 -0.797 -25.638 1.140 1.00 0.08 C HETATM 1618 OG THR A 1 -0.951 -26.987 0.718 1.00 -0.39 O HETATM 1619 H121 THR A 1 -1.395 -27.481 1.397 1.00 0.21 H HETATM 1620 H119 THR A 1 -0.202 -25.608 2.065 1.00 0.06 H HETATM 1621 H120 THR A 1 -0.283 -25.064 0.355 1.00 0.06 H HETATM 1622 H118 THR A 1 -2.851 -25.282 0.568 1.00 0.07 H HETATM 1623 H117 THR A 1 -1.355 -23.148 2.103 1.00 0.19 H HETATM 1624 CB THR A 1 -3.717 -20.694 1.952 1.00 -0.01 C HETATM 1625 CG THR A 1 -4.122 -19.374 1.382 1.00 -0.03 C HETATM 1626 CD THR A 1 -3.924 -19.467 -0.130 1.00 0.04 C HETATM 1627 H115 THR A 1 -4.863 -19.743 -0.632 1.00 0.05 H HETATM 1628 H116 THR A 1 -3.558 -18.513 -0.536 1.00 0.05 H HETATM 1629 H113 THR A 1 -3.493 -18.573 1.798 1.00 0.03 H HETATM 1630 H114 THR A 1 -5.178 -19.169 1.614 1.00 0.03 H HETATM 1631 H111 THR A 1 -3.284 -20.562 2.954 1.00 0.03 H HETATM 1632 H112 THR A 1 -4.584 -21.368 2.013 1.00 0.03 H HETATM 1633 H110 THR A 1 -1.652 -21.053 1.353 1.00 0.08 H HETATM 1634 H108 THR A 1 -2.310 -20.497 -3.537 1.00 0.08 H HETATM 1635 H109 THR A 1 -3.739 -19.833 -2.674 1.00 0.08 H HETATM 1636 H107 THR A 1 -0.995 -18.594 -2.365 1.00 0.19 H HETATM 1637 H105 THR A 1 -1.317 -16.209 -1.670 1.00 0.08 H HETATM 1638 H106 THR A 1 -1.254 -16.106 -3.462 1.00 0.08 H HETATM 1639 H104 THR A 1 -3.152 -14.636 -3.412 1.00 0.19 H HETATM 1640 H102 THR A 1 -3.942 -12.683 -1.963 1.00 0.08 H HETATM 1641 H103 THR A 1 -5.302 -13.854 -2.030 1.00 0.08 H HETATM 1642 H101 THR A 1 -4.341 -13.605 0.699 1.00 0.19 H HETATM 1643 CB THR A 1 -7.163 -12.917 2.074 1.00 -0.02 C HETATM 1644 H98 THR A 1 -6.801 -13.953 1.997 1.00 0.03 H HETATM 1645 H99 THR A 1 -8.066 -12.797 1.458 1.00 0.03 H HETATM 1646 H100 THR A 1 -7.402 -12.689 3.123 1.00 0.03 H HETATM 1647 H97 THR A 1 -5.177 -12.078 2.200 1.00 0.08 H HETATM 1648 H96 THR A 1 -6.988 -10.112 0.893 1.00 0.19 H HETATM 1649 CB THR A 1 -5.770 -7.516 2.966 1.00 0.08 C HETATM 1650 OG THR A 1 -6.231 -6.182 2.791 1.00 -0.39 O HETATM 1651 H95 THR A 1 -6.862 -5.974 3.470 1.00 0.21 H HETATM 1652 H93 THR A 1 -5.040 -7.758 2.180 1.00 0.06 H HETATM 1653 H94 THR A 1 -5.293 -7.614 3.952 1.00 0.06 H HETATM 1654 H92 THR A 1 -7.542 -8.250 1.972 1.00 0.08 H HETATM 1655 H91 THR A 1 -7.815 -9.032 4.784 1.00 0.19 H HETATM 1656 CB THR A 1 -10.882 -7.468 5.126 1.00 -0.01 C HETATM 1657 CG THR A 1 -11.728 -7.499 6.400 1.00 -0.04 C HETATM 1658 CD THR A 1 -13.125 -8.029 6.070 1.00 -0.01 C HETATM 1659 CE THR A 1 -13.838 -7.049 5.136 1.00 -0.04 C HETATM 1660 NZ THR A 1 -13.500 -7.374 3.722 1.00 0.22 N HETATM 1661 H88 THR A 1 -13.970 -6.728 3.107 1.00 0.20 H HETATM 1662 H89 THR A 1 -13.798 -8.314 3.513 1.00 0.20 H HETATM 1663 H90 THR A 1 -12.504 -7.300 3.589 1.00 0.20 H HETATM 1664 H86 THR A 1 -13.513 -6.023 5.364 1.00 0.08 H HETATM 1665 H87 THR A 1 -14.925 -7.130 5.281 1.00 0.08 H HETATM 1666 H84 THR A 1 -13.704 -8.137 6.999 1.00 0.03 H HETATM 1667 H85 THR A 1 -13.038 -9.008 5.576 1.00 0.03 H HETATM 1668 H82 THR A 1 -11.809 -6.482 6.811 1.00 0.03 H HETATM 1669 H83 THR A 1 -11.251 -8.158 7.141 1.00 0.03 H HETATM 1670 H80 THR A 1 -10.957 -8.438 4.612 1.00 0.03 H HETATM 1671 H81 THR A 1 -11.249 -6.672 4.462 1.00 0.03 H HETATM 1672 H79 THR A 1 -9.077 -7.958 6.204 1.00 0.08 H HETATM 1673 H78 THR A 1 -10.047 -5.185 6.020 1.00 0.19 H HETATM 1674 CB THR A 1 -7.660 -3.122 6.429 1.00 -0.01 C HETATM 1675 CG THR A 1 -6.303 -3.569 5.878 1.00 -0.02 C HETATM 1676 CD THR A 1 -5.608 -2.370 5.230 1.00 0.06 C HETATM 1677 NE THR A 1 -4.340 -2.810 4.585 1.00 -0.27 N HETATM 1678 CZ THR A 1 -3.379 -1.949 4.390 1.00 0.29 C HETATM 1679 NH1 THR A 1 -2.268 -2.326 3.819 1.00 -0.28 N HETATM 1680 H74 THR A 1 -1.511 -1.645 3.666 1.00 0.26 H HETATM 1681 H75 THR A 1 -2.148 -3.305 3.521 1.00 0.26 H HETATM 1682 NH2 THR A 1 -3.529 -0.708 4.766 1.00 -0.28 N HETATM 1683 H76 THR A 1 -4.405 -0.409 5.217 1.00 0.26 H HETATM 1684 H77 THR A 1 -2.771 -0.028 4.612 1.00 0.26 H HETATM 1685 H73 THR A 1 -4.222 -3.791 4.294 1.00 0.26 H HETATM 1686 H71 THR A 1 -5.384 -1.618 6.000 1.00 0.07 H HETATM 1687 H72 THR A 1 -6.271 -1.931 4.470 1.00 0.07 H HETATM 1688 H69 THR A 1 -6.452 -4.359 5.127 1.00 0.03 H HETATM 1689 H70 THR A 1 -5.681 -3.956 6.699 1.00 0.03 H HETATM 1690 H67 THR A 1 -7.549 -2.147 6.926 1.00 0.03 H HETATM 1691 H68 THR A 1 -8.378 -3.032 5.601 1.00 0.03 H HETATM 1692 H66 THR A 1 -9.182 -3.859 7.771 1.00 0.08 H HETATM 1693 H65 THR A 1 -6.293 -3.951 8.499 1.00 0.19 H HETATM 1694 CB THR A 1 -5.985 -5.921 10.937 1.00 -0.01 C HETATM 1695 CG THR A 1 -4.877 -5.901 11.989 1.00 -0.04 C HETATM 1696 CD THR A 1 -4.066 -7.193 11.899 1.00 -0.01 C HETATM 1697 CE THR A 1 -3.002 -7.198 12.995 1.00 -0.04 C HETATM 1698 NZ THR A 1 -1.848 -8.036 12.565 1.00 0.22 N HETATM 1699 H62 THR A 1 -1.147 -8.039 13.289 1.00 0.20 H HETATM 1700 H63 THR A 1 -1.455 -7.657 11.718 1.00 0.20 H HETATM 1701 H64 THR A 1 -2.162 -8.979 12.398 1.00 0.20 H HETATM 1702 H60 THR A 1 -3.431 -7.612 13.920 1.00 0.08 H HETATM 1703 H61 THR A 1 -2.659 -6.169 13.178 1.00 0.08 H HETATM 1704 H58 THR A 1 -3.579 -7.254 10.914 1.00 0.03 H HETATM 1705 H59 THR A 1 -4.734 -8.056 12.032 1.00 0.03 H HETATM 1706 H56 THR A 1 -5.324 -5.818 12.991 1.00 0.03 H HETATM 1707 H57 THR A 1 -4.216 -5.040 11.809 1.00 0.03 H HETATM 1708 H54 THR A 1 -5.546 -6.102 9.945 1.00 0.03 H HETATM 1709 H55 THR A 1 -6.700 -6.723 11.173 1.00 0.03 H HETATM 1710 H53 THR A 1 -5.978 -3.764 10.807 1.00 0.08 H HETATM 1711 H52 THR A 1 -8.077 -5.084 12.541 1.00 0.19 H HETATM 1712 CB THR A 1 -9.163 -2.259 14.092 1.00 0.00 C HETATM 1713 CG THR A 1 -9.989 -2.242 15.338 1.00 -0.04 C HETATM 1714 CD1 THR A 1 -10.016 -1.233 16.238 1.00 0.02 C HETATM 1715 NE1 THR A 1 -10.889 -1.567 17.258 1.00 -0.29 N HETATM 1716 CE2 THR A 1 -11.461 -2.808 17.055 1.00 0.06 C HETATM 1717 CD2 THR A 1 -10.903 -3.261 15.837 1.00 -0.02 C HETATM 1718 CE3 THR A 1 -11.299 -4.521 15.354 1.00 -0.07 C HETATM 1719 CZ3 THR A 1 -12.223 -5.299 16.072 1.00 -0.08 C HETATM 1720 CH2 THR A 1 -12.761 -4.828 17.278 1.00 -0.08 C HETATM 1721 CZ2 THR A 1 -12.379 -3.577 17.771 1.00 -0.04 C HETATM 1722 H49 THR A 1 -12.793 -3.207 18.702 1.00 0.05 H HETATM 1723 H51 THR A 1 -13.473 -5.434 17.828 1.00 0.05 H HETATM 1724 H50 THR A 1 -12.522 -6.269 15.691 1.00 0.05 H HETATM 1725 H48 THR A 1 -10.889 -4.894 14.422 1.00 0.05 H HETATM 1726 H47 THR A 1 -11.088 -0.964 18.069 1.00 0.22 H HETATM 1727 H46 THR A 1 -9.444 -0.309 16.171 1.00 0.08 H HETATM 1728 H44 THR A 1 -9.780 -2.602 13.248 1.00 0.04 H HETATM 1729 H45 THR A 1 -8.790 -1.245 13.886 1.00 0.04 H HETATM 1730 H43 THR A 1 -8.348 -4.202 14.578 1.00 0.08 H HETATM 1731 H42 THR A 1 -6.882 -1.694 15.380 1.00 0.19 H HETATM 1732 CB THR A 1 -4.170 -2.847 16.718 1.00 -0.01 C HETATM 1733 CG THR A 1 -3.262 -2.157 17.739 1.00 -0.04 C HETATM 1734 CD THR A 1 -1.854 -2.016 17.156 1.00 -0.01 C HETATM 1735 CE THR A 1 -0.919 -1.428 18.215 1.00 -0.04 C HETATM 1736 NZ THR A 1 -0.932 0.059 18.122 1.00 0.22 N HETATM 1737 H39 THR A 1 -0.316 0.445 18.820 1.00 0.20 H HETATM 1738 H40 THR A 1 -1.869 0.397 18.277 1.00 0.20 H HETATM 1739 H41 THR A 1 -0.620 0.341 17.206 1.00 0.20 H HETATM 1740 H37 THR A 1 0.103 -1.796 18.046 1.00 0.08 H HETATM 1741 H38 THR A 1 -1.259 -1.735 19.215 1.00 0.08 H HETATM 1742 H35 THR A 1 -1.884 -1.348 16.282 1.00 0.03 H HETATM 1743 H36 THR A 1 -1.484 -3.005 16.849 1.00 0.03 H HETATM 1744 H33 THR A 1 -3.220 -2.760 18.658 1.00 0.03 H HETATM 1745 H34 THR A 1 -3.664 -1.160 17.972 1.00 0.03 H HETATM 1746 H31 THR A 1 -4.147 -2.288 15.771 1.00 0.03 H HETATM 1747 H32 THR A 1 -3.815 -3.874 16.547 1.00 0.03 H HETATM 1748 H30 THR A 1 -5.934 -1.863 17.489 1.00 0.08 H HETATM 1749 H29 THR A 1 -5.191 -4.610 18.504 1.00 0.19 H HETATM 1750 H27 THR A 1 -6.903 -5.104 20.561 1.00 0.08 H HETATM 1751 H28 THR A 1 -5.266 -4.516 21.008 1.00 0.08 H HETATM 1752 H26 THR A 1 -7.609 -2.816 21.791 1.00 0.19 H HETATM 1753 CB THR A 1 -8.335 -3.641 24.751 1.00 -0.01 C HETATM 1754 CG THR A 1 -8.908 -2.924 25.974 1.00 -0.04 C HETATM 1755 CD THR A 1 -10.113 -3.702 26.507 1.00 -0.01 C HETATM 1756 CE THR A 1 -10.759 -2.922 27.653 1.00 -0.04 C HETATM 1757 NZ THR A 1 -10.669 -3.717 28.909 1.00 0.22 N HETATM 1758 H23 THR A 1 -11.095 -3.202 29.664 1.00 0.20 H HETATM 1759 H24 THR A 1 -9.701 -3.893 29.127 1.00 0.20 H HETATM 1760 H25 THR A 1 -11.150 -4.594 28.787 1.00 0.20 H HETATM 1761 H21 THR A 1 -11.816 -2.730 27.416 1.00 0.08 H HETATM 1762 H22 THR A 1 -10.234 -1.965 27.787 1.00 0.08 H HETATM 1763 H19 THR A 1 -9.782 -4.685 26.874 1.00 0.03 H HETATM 1764 H20 THR A 1 -10.846 -3.840 25.699 1.00 0.03 H HETATM 1765 H17 THR A 1 -9.224 -1.910 25.689 1.00 0.03 H HETATM 1766 H18 THR A 1 -8.137 -2.862 26.756 1.00 0.03 H HETATM 1767 H15 THR A 1 -8.098 -4.682 25.015 1.00 0.03 H HETATM 1768 H16 THR A 1 -9.076 -3.628 23.938 1.00 0.03 H HETATM 1769 H14 THR A 1 -6.352 -2.872 25.129 1.00 0.08 H HETATM 1770 H13 THR A 1 -8.344 -1.228 23.880 1.00 0.19 H HETATM 1771 H11 THR A 1 -7.658 0.554 22.154 1.00 0.08 H HETATM 1772 H12 THR A 1 -7.249 1.201 23.780 1.00 0.08 H HETATM 1773 H10 THR A 1 -4.828 0.838 22.213 1.00 0.19 H HETATM 1774 CB THR A 1 -4.168 2.583 20.092 1.00 0.11 C HETATM 1775 OG1 THR A 1 -3.187 1.581 20.317 1.00 -0.38 O HETATM 1776 H6 THR A 1 -2.966 1.165 19.492 1.00 0.21 H HETATM 1777 CG2 THR A 1 -3.617 3.630 19.122 1.00 -0.03 C HETATM 1778 H7 THR A 1 -3.361 3.147 18.168 1.00 0.03 H HETATM 1779 H8 THR A 1 -2.716 4.091 19.553 1.00 0.03 H HETATM 1780 H9 THR A 1 -4.378 4.405 18.948 1.00 0.03 H HETATM 1781 H5 THR A 1 -5.069 2.123 19.660 1.00 0.07 H HETATM 1782 H4 THR A 1 -4.721 4.322 21.252 1.00 0.11 H HETATM 1783 H1 THR A 1 -3.625 3.542 23.249 1.00 0.20 H HETATM 1784 H2 THR A 1 -2.567 3.537 21.988 1.00 0.20 H HETATM 1785 H3 THR A 1 -3.210 2.121 22.529 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1552 1553 1783 1784 1785 CONECT 1553 1552 1554 1774 1782 CONECT 1554 1553 1555 1556 CONECT 1555 1554 CONECT 1556 1554 1557 1773 CONECT 1557 1556 1558 1771 1772 CONECT 1558 1557 1559 1560 CONECT 1559 1558 CONECT 1560 1558 1561 1770 CONECT 1561 1560 1562 1753 1769 CONECT 1562 1561 1563 1564 CONECT 1563 1562 CONECT 1564 1562 1565 1752 CONECT 1565 1564 1566 1750 1751 CONECT 1566 1565 1567 1568 CONECT 1567 1566 CONECT 1568 1566 1569 1749 CONECT 1569 1568 1570 1732 1748 CONECT 1570 1569 1571 1572 CONECT 1571 1570 CONECT 1572 1570 1573 1731 CONECT 1573 1572 1574 1712 1730 CONECT 1574 1573 1575 1576 CONECT 1575 1574 CONECT 1576 1574 1577 1711 CONECT 1577 1576 1578 1694 1710 CONECT 1578 1577 1579 1580 CONECT 1579 1578 CONECT 1580 1578 1581 1693 CONECT 1581 1580 1582 1674 1692 CONECT 1582 1581 1583 1584 CONECT 1583 1582 CONECT 1584 1582 1585 1673 CONECT 1585 1584 1586 1656 1672 CONECT 1586 1585 1587 1588 CONECT 1587 1586 CONECT 1588 1586 1589 1655 CONECT 1589 1588 1590 1649 1654 CONECT 1590 1589 1591 1592 CONECT 1591 1590 CONECT 1592 1590 1593 1648 CONECT 1593 1592 1594 1643 1647 CONECT 1594 1593 1595 1596 CONECT 1595 1594 CONECT 1596 1594 1597 1642 CONECT 1597 1596 1598 1640 1641 CONECT 1598 1597 1599 1600 CONECT 1599 1598 CONECT 1600 1598 1601 1639 CONECT 1601 1600 1602 1637 1638 CONECT 1602 1601 1603 1604 CONECT 1603 1602 CONECT 1604 1602 1605 1636 CONECT 1605 1604 1606 1634 1635 CONECT 1606 1605 1607 1608 CONECT 1607 1606 CONECT 1608 1606 1609 1626 CONECT 1609 1608 1610 1624 1633 CONECT 1610 1609 1611 1612 CONECT 1611 1610 CONECT 1612 1610 1613 1623 CONECT 1613 1612 1614 1617 1622 CONECT 1614 1613 1615 1616 CONECT 1615 1614 CONECT 1616 1614 CONECT 1617 1613 1618 1620 1621 CONECT 1618 1617 1619 CONECT 1619 1618 CONECT 1620 1617 CONECT 1621 1617 CONECT 1622 1613 CONECT 1623 1612 CONECT 1624 1609 1625 1631 1632 CONECT 1625 1624 1626 1629 1630 CONECT 1626 1608 1625 1627 1628 CONECT 1627 1626 CONECT 1628 1626 CONECT 1629 1625 CONECT 1630 1625 CONECT 1631 1624 CONECT 1632 1624 CONECT 1633 1609 CONECT 1634 1605 CONECT 1635 1605 CONECT 1636 1604 CONECT 1637 1601 CONECT 1638 1601 CONECT 1639 1600 CONECT 1640 1597 CONECT 1641 1597 CONECT 1642 1596 CONECT 1643 1593 1644 1645 1646 CONECT 1644 1643 CONECT 1645 1643 CONECT 1646 1643 CONECT 1647 1593 CONECT 1648 1592 CONECT 1649 1589 1650 1652 1653 CONECT 1650 1649 1651 CONECT 1651 1650 CONECT 1652 1649 CONECT 1653 1649 CONECT 1654 1589 CONECT 1655 1588 CONECT 1656 1585 1657 1670 1671 CONECT 1657 1656 1658 1668 1669 CONECT 1658 1657 1659 1666 1667 CONECT 1659 1658 1660 1664 1665 CONECT 1660 1659 1661 1662 1663 CONECT 1661 1660 CONECT 1662 1660 CONECT 1663 1660 CONECT 1664 1659 CONECT 1665 1659 CONECT 1666 1658 CONECT 1667 1658 CONECT 1668 1657 CONECT 1669 1657 CONECT 1670 1656 CONECT 1671 1656 CONECT 1672 1585 CONECT 1673 1584 CONECT 1674 1581 1675 1690 1691 CONECT 1675 1674 1676 1688 1689 CONECT 1676 1675 1677 1686 1687 CONECT 1677 1676 1678 1685 CONECT 1678 1677 1679 1682 CONECT 1679 1678 1680 1681 CONECT 1680 1679 CONECT 1681 1679 CONECT 1682 1678 1683 1684 CONECT 1683 1682 CONECT 1684 1682 CONECT 1685 1677 CONECT 1686 1676 CONECT 1687 1676 CONECT 1688 1675 CONECT 1689 1675 CONECT 1690 1674 CONECT 1691 1674 CONECT 1692 1581 CONECT 1693 1580 CONECT 1694 1577 1695 1708 1709 CONECT 1695 1694 1696 1706 1707 CONECT 1696 1695 1697 1704 1705 CONECT 1697 1696 1698 1702 1703 CONECT 1698 1697 1699 1700 1701 CONECT 1699 1698 CONECT 1700 1698 CONECT 1701 1698 CONECT 1702 1697 CONECT 1703 1697 CONECT 1704 1696 CONECT 1705 1696 CONECT 1706 1695 CONECT 1707 1695 CONECT 1708 1694 CONECT 1709 1694 CONECT 1710 1577 CONECT 1711 1576 CONECT 1712 1573 1713 1728 1729 CONECT 1713 1712 1714 1717 CONECT 1714 1713 1715 1727 CONECT 1715 1714 1716 1726 CONECT 1716 1715 1717 1721 CONECT 1717 1713 1716 1718 CONECT 1718 1717 1719 1725 CONECT 1719 1718 1720 1724 CONECT 1720 1719 1721 1723 CONECT 1721 1716 1720 1722 CONECT 1722 1721 CONECT 1723 1720 CONECT 1724 1719 CONECT 1725 1718 CONECT 1726 1715 CONECT 1727 1714 CONECT 1728 1712 CONECT 1729 1712 CONECT 1730 1573 CONECT 1731 1572 CONECT 1732 1569 1733 1746 1747 CONECT 1733 1732 1734 1744 1745 CONECT 1734 1733 1735 1742 1743 CONECT 1735 1734 1736 1740 1741 CONECT 1736 1735 1737 1738 1739 CONECT 1737 1736 CONECT 1738 1736 CONECT 1739 1736 CONECT 1740 1735 CONECT 1741 1735 CONECT 1742 1734 CONECT 1743 1734 CONECT 1744 1733 CONECT 1745 1733 CONECT 1746 1732 CONECT 1747 1732 CONECT 1748 1569 CONECT 1749 1568 CONECT 1750 1565 CONECT 1751 1565 CONECT 1752 1564 CONECT 1753 1561 1754 1767 1768 CONECT 1754 1753 1755 1765 1766 CONECT 1755 1754 1756 1763 1764 CONECT 1756 1755 1757 1761 1762 CONECT 1757 1756 1758 1759 1760 CONECT 1758 1757 CONECT 1759 1757 CONECT 1760 1757 CONECT 1761 1756 CONECT 1762 1756 CONECT 1763 1755 CONECT 1764 1755 CONECT 1765 1754 CONECT 1766 1754 CONECT 1767 1753 CONECT 1768 1753 CONECT 1769 1561 CONECT 1770 1560 CONECT 1771 1557 CONECT 1772 1557 CONECT 1773 1556 CONECT 1774 1553 1775 1777 1781 CONECT 1775 1774 1776 CONECT 1776 1775 CONECT 1777 1774 1778 1779 1780 CONECT 1778 1777 CONECT 1779 1777 CONECT 1780 1777 CONECT 1781 1774 CONECT 1782 1553 CONECT 1783 1552 CONECT 1784 1552 CONECT 1785 1552 MASTER 0 0 0 0 0 0 0 0 1784 1 238 12 END
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Entry Information
PDB ID
5iay
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
UHRF1 Tandem Tudor Domains
Ligand Name
16-mer
EC.Number
E.C.6.3.2
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=1.59uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Nat Commun Vol. 7: pp. 11197-11197
Ligand Properties
Formula
C
6
9
H
1
2
2
N
2
4
O
2
0
Molecular Weight
1607.860
Exact Mass
1606.930
No. of atoms
235
No. of bonds
237
Polar Surface Area
745.7
LOGP Value
-8.66 (
Computed with XLOGP3
)
-9.68 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 23
No. of Hydrogen Bond Acceptors: 20
No. of Rotatable Bonds: 72
No. of Nitrogen and Oxygen Atoms: 44
No. of Rings: 3
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CO)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](O)C)[NH3+])CCCC[NH3+])CCCC[NH3+])CCCC[NH3+])CCC[NH+]=C(N)N
InChI String
InChI=1S/C69H116N24O20/c1-38(58(102)81-32-53(98)79-31-52(97)80-35-56(101)93-28-14-22-51(93)66(110)92-50(37-95)68(112)113)84-65(109)49(36-94)91-63(107)46(20-8-12-26-73)87-62(106)47(21-13-27-77-69(75)76)88-61(105)45(19-7-11-25-72)89-64(108)48(29-40-30-78-42-16-4-3-15-41(40)42)90-60(104)44(18-6-10-24-71)86-54(99)33-82-59(103)43(17-5-9-23-70)85-55(100)34-83-67(111)57(74)39(2)96/h3-4,15-16,30,38-39,43-51,57,78,94-96H,5-14,17-29,31-37,70-74H2,1-2H3,(H,79,98)(H,80,97)(H,81,102)(H,82,103)(H,83,111)(H,84,109)(H,85,100)(H,86,99)(H,87,106)(H,88,105)(H,89,108)(H,90,104)(H,91,107)(H,92,110)(H,112,113)(H4,75,76,77)/p+6/t38-,39+,43-,44-,45-,46-,47-,48-,49-,50-,51-,57-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
Q96T88
Entrez Gene ID
NCBI Entrez Gene ID:
29128
ASD
Information of known allosteric effects of PDB entries
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