Browse entries in the PDBbind-CN Database
HEADER 5TD2_COMPLEX COMPND 5TD2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 45 LEU GLU ASP VAL VAL ILE ASP ARG ASN LEU LEU ILE LEU SEQRES 2 A 45 GLY LYS ILE LEU GLY GLU GLY GLU PHE GLY SER VAL MET SEQRES 3 A 45 GLU GLY ASN LEU LYS GLN GLU ASP GLY THR SER LEU LYS SEQRES 4 A 45 VAL ALA VAL LYS THR MET SEQRES 1 A 24 ALA ALA CYS MET LYS ASP PHE SER HIS PRO ASN VAL MET SEQRES 2 A 24 ARG LEU LEU GLY VAL CYS ILE GLU MET SER SER SEQRES 1 A 76 PRO MET VAL ILE LEU PRO PHE MET LYS TYR GLY ASP LEU SEQRES 2 A 76 HIS THR TYR LEU LEU TYR SER ARG LEU GLU THR GLY PRO SEQRES 3 A 76 LYS HIS ILE PRO LEU GLN THR LEU LEU LYS PHE MET VAL SEQRES 4 A 76 ASP ILE ALA LEU GLY MET GLU TYR LEU SER ASN ARG ASN SEQRES 5 A 76 PHE LEU HIS ARG ASP LEU ALA ALA ARG ASN CYS MET LEU SEQRES 6 A 76 ARG ASP ASP MET THR VAL CYS VAL ALA ASP PHE SEQRES 1 A 10 PRO VAL LYS TRP ILE ALA ILE GLU SER LEU SEQRES 1 A 85 TYR THR SER LYS SER ASP VAL TRP ALA PHE GLY VAL THR SEQRES 2 A 85 MET TRP GLU ILE ALA THR ARG GLY MET THR PRO TYR PRO SEQRES 3 A 85 GLY VAL GLN ASN HIS GLU MET TYR ASP TYR LEU LEU HIS SEQRES 4 A 85 GLY HIS ARG LEU LYS GLN PRO GLU ASP CYS LEU ASP GLU SEQRES 5 A 85 LEU TYR GLU ILE MET TYR SER CYS TRP ARG THR ASP PRO SEQRES 6 A 85 LEU ASP ARG PRO THR PHE SER VAL LEU ARG LEU GLN LEU SEQRES 7 A 85 GLU LYS LEU LEU GLU SER LEU HET UNN A 256 61 ATOM 1 N LEU A 577 -3.996 30.902 27.739 1.00 95.95 N ATOM 2 CA LEU A 577 -2.716 31.271 28.440 1.00104.91 C ATOM 3 C LEU A 577 -1.517 31.476 27.471 1.00117.40 C ATOM 4 O LEU A 577 -0.600 30.650 27.430 1.00126.16 O ATOM 5 CB LEU A 577 -2.394 30.217 29.520 1.00106.43 C ATOM 6 CG LEU A 577 -1.306 30.559 30.545 1.00117.27 C ATOM 7 CD1 LEU A 577 -1.807 31.591 31.546 1.00120.55 C ATOM 8 CD2 LEU A 577 -0.837 29.303 31.267 1.00115.63 C ATOM 9 HN3 LEU A 577 -3.860 30.013 27.217 1.00 0.00 H ATOM 10 HN2 LEU A 577 -4.257 31.659 27.075 1.00 0.00 H ATOM 11 HN1 LEU A 577 -4.752 30.781 28.442 1.00 0.00 H ATOM 12 N GLU A 578 -1.500 32.602 26.741 1.00117.28 N ATOM 13 CA GLU A 578 -0.638 32.767 25.553 1.00113.88 C ATOM 14 C GLU A 578 0.538 33.737 25.747 1.00105.38 C ATOM 15 O GLU A 578 0.811 34.585 24.889 1.00105.09 O ATOM 16 CB GLU A 578 -1.485 33.207 24.346 1.00111.53 C ATOM 17 CG GLU A 578 -2.797 32.465 24.183 1.00108.95 C ATOM 18 CD GLU A 578 -4.023 33.122 24.818 1.00109.24 C ATOM 19 OE1 GLU A 578 -5.120 33.087 24.201 1.00105.38 O ATOM 20 OE2 GLU A 578 -3.913 33.635 25.953 1.00100.48 O ATOM 21 H GLU A 578 -2.118 33.389 27.023 1.00 0.00 H ATOM 22 N ASP A 579 1.254 33.579 26.854 1.00 97.52 N ATOM 23 CA ASP A 579 2.403 34.435 27.175 1.00100.16 C ATOM 24 C ASP A 579 3.664 34.055 26.367 1.00 94.15 C ATOM 25 O ASP A 579 4.588 34.863 26.248 1.00 82.59 O ATOM 26 CB ASP A 579 2.670 34.368 28.694 1.00105.65 C ATOM 27 CG ASP A 579 3.464 35.565 29.237 1.00105.06 C ATOM 28 OD1 ASP A 579 3.866 36.467 28.477 1.00109.57 O ATOM 29 OD2 ASP A 579 3.684 35.601 30.465 1.00 97.29 O ATOM 30 H ASP A 579 0.992 32.822 27.517 1.00 0.00 H ATOM 31 N VAL A 580 3.684 32.843 25.800 1.00 95.97 N ATOM 32 CA VAL A 580 4.853 32.292 25.088 1.00 84.49 C ATOM 33 C VAL A 580 4.675 32.173 23.554 1.00 78.56 C ATOM 34 O VAL A 580 5.551 31.651 22.867 1.00 66.48 O ATOM 35 CB VAL A 580 5.214 30.909 25.706 1.00 79.93 C ATOM 36 CG1 VAL A 580 4.331 29.784 25.161 1.00 77.47 C ATOM 37 CG2 VAL A 580 6.693 30.586 25.537 1.00 77.67 C ATOM 38 H VAL A 580 2.828 32.257 25.865 1.00 0.00 H ATOM 39 N VAL A 581 3.553 32.665 23.025 1.00 79.37 N ATOM 40 CA VAL A 581 3.211 32.504 21.604 1.00 75.08 C ATOM 41 C VAL A 581 4.038 33.432 20.697 1.00 71.48 C ATOM 42 O VAL A 581 4.473 34.506 21.112 1.00 78.57 O ATOM 43 CB VAL A 581 1.682 32.701 21.386 1.00 77.22 C ATOM 44 CG1 VAL A 581 1.292 32.693 19.907 1.00 78.48 C ATOM 45 CG2 VAL A 581 0.914 31.616 22.131 1.00 76.37 C ATOM 46 H VAL A 581 2.895 33.183 23.642 1.00 0.00 H ATOM 47 N ILE A 582 4.257 32.976 19.465 1.00 69.89 N ATOM 48 CA ILE A 582 4.946 33.720 18.412 1.00 70.15 C ATOM 49 C ILE A 582 3.982 33.912 17.233 1.00 69.20 C ATOM 50 O ILE A 582 3.144 33.042 16.970 1.00 60.82 O ATOM 51 CB ILE A 582 6.232 32.950 17.995 1.00 69.45 C ATOM 52 CG1 ILE A 582 7.329 33.176 19.042 1.00 69.86 C ATOM 53 CG2 ILE A 582 6.744 33.374 16.624 1.00 70.04 C ATOM 54 CD1 ILE A 582 8.496 32.216 18.957 1.00 67.81 C ATOM 55 H ILE A 582 3.913 32.022 19.235 1.00 0.00 H ATOM 56 N ASP A 583 4.108 35.050 16.537 1.00 73.12 N ATOM 57 CA ASP A 583 3.323 35.330 15.324 1.00 77.45 C ATOM 58 C ASP A 583 3.730 34.388 14.195 1.00 70.37 C ATOM 59 O ASP A 583 4.901 34.330 13.827 1.00 68.82 O ATOM 60 CB ASP A 583 3.505 36.784 14.848 1.00 85.62 C ATOM 61 CG ASP A 583 2.783 37.804 15.731 1.00 99.52 C ATOM 62 OD1 ASP A 583 2.186 37.427 16.768 1.00116.76 O ATOM 63 OD2 ASP A 583 2.811 39.003 15.373 1.00 95.18 O ATOM 64 H ASP A 583 4.788 35.764 16.867 1.00 0.00 H ATOM 65 N ARG A 584 2.752 33.671 13.646 1.00 67.09 N ATOM 66 CA ARG A 584 2.983 32.645 12.621 1.00 62.87 C ATOM 67 C ARG A 584 3.819 33.118 11.413 1.00 64.54 C ATOM 68 O ARG A 584 4.598 32.338 10.865 1.00 61.42 O ATOM 69 CB ARG A 584 1.629 32.072 12.155 1.00 62.17 C ATOM 70 CG ARG A 584 1.678 31.017 11.054 1.00 61.12 C ATOM 71 CD ARG A 584 2.398 29.762 11.499 1.00 63.46 C ATOM 72 NE ARG A 584 2.629 28.825 10.396 1.00 68.42 N ATOM 73 CZ ARG A 584 3.567 28.952 9.451 1.00 65.72 C ATOM 74 NH1 ARG A 584 4.395 29.994 9.425 1.00 62.36 N ATOM 75 NH2 ARG A 584 3.675 28.018 8.509 1.00 66.41 N ATOM 76 HE ARG A 584 2.011 27.990 10.344 1.00 0.00 H ATOM 77 HH12 ARG A 584 5.115 30.067 8.678 1.00 0.00 H ATOM 78 HH11 ARG A 584 4.322 30.735 10.151 1.00 0.00 H ATOM 79 HH22 ARG A 584 4.401 28.107 7.769 1.00 0.00 H ATOM 80 HH21 ARG A 584 3.034 27.199 8.512 1.00 0.00 H ATOM 81 H ARG A 584 1.776 33.846 13.959 1.00 0.00 H ATOM 82 N ASN A 585 3.666 34.380 11.009 1.00 69.10 N ATOM 83 CA ASN A 585 4.424 34.928 9.867 1.00 75.52 C ATOM 84 C ASN A 585 5.949 35.040 10.083 1.00 68.38 C ATOM 85 O ASN A 585 6.702 35.094 9.113 1.00 63.79 O ATOM 86 CB ASN A 585 3.841 36.276 9.408 1.00 82.48 C ATOM 87 CG ASN A 585 4.194 37.424 10.342 1.00 89.75 C ATOM 88 OD1 ASN A 585 3.925 37.367 11.540 1.00 88.13 O ATOM 89 ND2 ASN A 585 4.796 38.479 9.794 1.00101.31 N ATOM 90 HD22 ASN A 585 5.006 38.487 8.775 1.00 0.00 H ATOM 91 HD21 ASN A 585 5.056 39.294 10.385 1.00 0.00 H ATOM 92 H ASN A 585 2.995 34.994 11.512 1.00 0.00 H ATOM 93 N LEU A 586 6.394 35.057 11.344 1.00 67.28 N ATOM 94 CA LEU A 586 7.831 34.991 11.682 1.00 60.88 C ATOM 95 C LEU A 586 8.467 33.614 11.423 1.00 62.44 C ATOM 96 O LEU A 586 9.692 33.495 11.423 1.00 61.81 O ATOM 97 CB LEU A 586 8.062 35.361 13.154 1.00 55.79 C ATOM 98 CG LEU A 586 7.645 36.759 13.622 1.00 53.77 C ATOM 99 CD1 LEU A 586 7.695 36.836 15.137 1.00 56.20 C ATOM 100 CD2 LEU A 586 8.516 37.845 13.007 1.00 51.60 C ATOM 101 H LEU A 586 5.701 35.119 12.117 1.00 0.00 H ATOM 102 N LEU A 587 7.637 32.588 11.208 1.00 65.81 N ATOM 103 CA LEU A 587 8.086 31.212 11.011 1.00 66.09 C ATOM 104 C LEU A 587 7.937 30.756 9.551 1.00 64.29 C ATOM 105 O LEU A 587 6.907 30.988 8.916 1.00 59.79 O ATOM 106 CB LEU A 587 7.275 30.286 11.921 1.00 63.55 C ATOM 107 CG LEU A 587 7.753 28.842 12.068 1.00 64.66 C ATOM 108 CD1 LEU A 587 9.076 28.780 12.817 1.00 62.38 C ATOM 109 CD2 LEU A 587 6.686 28.012 12.772 1.00 67.88 C ATOM 110 H LEU A 587 6.615 32.780 11.179 1.00 0.00 H ATOM 111 N ILE A 588 8.981 30.105 9.042 1.00 65.56 N ATOM 112 CA ILE A 588 8.987 29.489 7.717 1.00 67.98 C ATOM 113 C ILE A 588 9.371 28.023 7.925 1.00 64.79 C ATOM 114 O ILE A 588 10.461 27.741 8.422 1.00 68.06 O ATOM 115 CB ILE A 588 9.999 30.205 6.782 1.00 74.13 C ATOM 116 CG1 ILE A 588 9.552 31.653 6.504 1.00 88.84 C ATOM 117 CG2 ILE A 588 10.223 29.439 5.481 1.00 72.58 C ATOM 118 CD1 ILE A 588 8.221 31.819 5.785 1.00 89.28 C ATOM 119 H ILE A 588 9.842 30.031 9.621 1.00 0.00 H ATOM 120 N LEU A 589 8.471 27.107 7.559 1.00 56.41 N ATOM 121 CA LEU A 589 8.705 25.664 7.688 1.00 54.01 C ATOM 122 C LEU A 589 9.351 25.087 6.435 1.00 53.70 C ATOM 123 O LEU A 589 9.240 25.658 5.347 1.00 60.00 O ATOM 124 CB LEU A 589 7.393 24.928 7.940 1.00 52.34 C ATOM 125 CG LEU A 589 6.616 25.316 9.197 1.00 54.57 C ATOM 126 CD1 LEU A 589 5.221 24.716 9.145 1.00 57.06 C ATOM 127 CD2 LEU A 589 7.353 24.861 10.446 1.00 55.42 C ATOM 128 H LEU A 589 7.564 27.430 7.165 1.00 0.00 H ATOM 129 N GLY A 590 10.009 23.943 6.603 1.00 53.99 N ATOM 130 CA GLY A 590 10.703 23.257 5.517 1.00 50.24 C ATOM 131 C GLY A 590 10.595 21.744 5.611 1.00 51.88 C ATOM 132 O GLY A 590 9.511 21.204 5.849 1.00 47.80 O ATOM 133 H GLY A 590 10.030 23.518 7.552 1.00 0.00 H ATOM 134 N LYS A 591 11.727 21.069 5.422 1.00 57.27 N ATOM 135 CA LYS A 591 11.773 19.606 5.267 1.00 64.09 C ATOM 136 C LYS A 591 11.577 18.867 6.588 1.00 57.33 C ATOM 137 O LYS A 591 11.653 19.463 7.657 1.00 57.97 O ATOM 138 CB LYS A 591 13.105 19.182 4.624 1.00 72.89 C ATOM 139 CG LYS A 591 13.396 19.852 3.279 1.00 89.73 C ATOM 140 CD LYS A 591 14.883 19.883 2.937 1.00 97.09 C ATOM 141 CE LYS A 591 15.395 18.535 2.454 1.00 98.53 C ATOM 142 NZ LYS A 591 16.778 18.646 1.916 1.00 97.33 N ATOM 143 HZ1 LYS A 591 16.785 19.310 1.116 1.00 0.00 H ATOM 144 HZ2 LYS A 591 17.412 18.994 2.663 1.00 0.00 H ATOM 145 HZ3 LYS A 591 17.100 17.711 1.594 1.00 0.00 H ATOM 146 H LYS A 591 12.620 21.600 5.382 1.00 0.00 H ATOM 147 N ILE A 592 11.328 17.563 6.494 1.00 53.72 N ATOM 148 CA ILE A 592 11.076 16.723 7.663 1.00 55.88 C ATOM 149 C ILE A 592 12.423 16.312 8.281 1.00 58.26 C ATOM 150 O ILE A 592 13.389 16.017 7.558 1.00 53.62 O ATOM 151 CB ILE A 592 10.250 15.454 7.305 1.00 56.95 C ATOM 152 CG1 ILE A 592 8.969 15.799 6.531 1.00 59.46 C ATOM 153 CG2 ILE A 592 9.895 14.654 8.554 1.00 54.58 C ATOM 154 CD1 ILE A 592 7.907 16.496 7.345 1.00 64.13 C ATOM 155 H ILE A 592 11.312 17.124 5.551 1.00 0.00 H ATOM 156 N LEU A 593 12.478 16.318 9.614 1.00 53.17 N ATOM 157 CA LEU A 593 13.652 15.870 10.371 1.00 51.37 C ATOM 158 C LEU A 593 13.409 14.515 11.017 1.00 53.58 C ATOM 159 O LEU A 593 14.291 13.657 11.021 1.00 57.80 O ATOM 160 CB LEU A 593 14.012 16.900 11.442 1.00 46.56 C ATOM 161 CG LEU A 593 14.351 18.287 10.902 1.00 44.62 C ATOM 162 CD1 LEU A 593 14.546 19.262 12.041 1.00 42.56 C ATOM 163 CD2 LEU A 593 15.583 18.234 10.012 1.00 47.99 C ATOM 164 H LEU A 593 11.648 16.657 10.142 1.00 0.00 H ATOM 165 N GLY A 594 12.224 14.336 11.587 1.00 58.51 N ATOM 166 CA GLY A 594 11.822 13.049 12.146 1.00 63.63 C ATOM 167 C GLY A 594 10.334 13.020 12.424 1.00 61.85 C ATOM 168 O GLY A 594 9.619 13.965 12.088 1.00 59.67 O ATOM 169 H GLY A 594 11.562 15.137 11.637 1.00 0.00 H ATOM 170 N GLU A 595 9.877 11.933 13.040 1.00 62.78 N ATOM 171 CA GLU A 595 8.474 11.760 13.403 1.00 62.12 C ATOM 172 C GLU A 595 8.329 11.658 14.911 1.00 59.89 C ATOM 173 O GLU A 595 8.886 10.748 15.528 1.00 57.62 O ATOM 174 CB GLU A 595 7.904 10.499 12.748 1.00 68.88 C ATOM 175 CG GLU A 595 7.746 10.588 11.234 1.00 73.69 C ATOM 176 CD GLU A 595 6.803 11.695 10.789 1.00 74.86 C ATOM 177 OE1 GLU A 595 5.824 11.997 11.513 1.00 78.25 O ATOM 178 OE2 GLU A 595 7.046 12.266 9.707 1.00 70.22 O ATOM 179 H GLU A 595 10.548 11.174 13.273 1.00 0.00 H ATOM 180 N GLY A 596 7.591 12.604 15.492 1.00 56.58 N ATOM 181 CA GLY A 596 7.202 12.552 16.892 1.00 54.86 C ATOM 182 C GLY A 596 5.929 11.750 17.075 1.00 60.19 C ATOM 183 O GLY A 596 5.442 11.105 16.141 1.00 54.93 O ATOM 184 H GLY A 596 7.280 13.414 14.919 1.00 0.00 H ATOM 185 N GLU A 597 5.391 11.807 18.291 1.00 67.56 N ATOM 186 CA GLU A 597 4.224 11.015 18.677 1.00 67.51 C ATOM 187 C GLU A 597 2.940 11.520 18.018 1.00 72.08 C ATOM 188 O GLU A 597 2.151 10.721 17.507 1.00 76.12 O ATOM 189 CB GLU A 597 4.069 11.011 20.207 1.00 65.39 C ATOM 190 CG GLU A 597 3.158 9.920 20.743 1.00 74.00 C ATOM 191 CD GLU A 597 3.662 8.525 20.417 1.00 81.13 C ATOM 192 OE1 GLU A 597 4.779 8.181 20.853 1.00 90.18 O ATOM 193 OE2 GLU A 597 2.948 7.774 19.718 1.00 87.61 O ATOM 194 H GLU A 597 5.818 12.441 18.996 1.00 0.00 H ATOM 195 N PHE A 598 2.741 12.839 18.038 1.00 75.02 N ATOM 196 CA PHE A 598 1.537 13.475 17.486 1.00 78.08 C ATOM 197 C PHE A 598 1.687 13.945 16.032 1.00 74.65 C ATOM 198 O PHE A 598 0.703 14.364 15.421 1.00 81.40 O ATOM 199 CB PHE A 598 1.108 14.655 18.369 1.00 78.60 C ATOM 200 CG PHE A 598 0.758 14.263 19.780 1.00 83.88 C ATOM 201 CD1 PHE A 598 -0.438 13.600 20.057 1.00 85.60 C ATOM 202 CD2 PHE A 598 1.618 14.561 20.840 1.00 85.34 C ATOM 203 CE1 PHE A 598 -0.769 13.238 21.359 1.00 88.22 C ATOM 204 CE2 PHE A 598 1.290 14.202 22.145 1.00 88.51 C ATOM 205 CZ PHE A 598 0.096 13.539 22.405 1.00 85.98 C ATOM 206 H PHE A 598 3.471 13.445 18.464 1.00 0.00 H ATOM 207 N GLY A 599 2.898 13.880 15.478 1.00 69.21 N ATOM 208 CA GLY A 599 3.121 14.269 14.085 1.00 71.46 C ATOM 209 C GLY A 599 4.584 14.363 13.679 1.00 72.68 C ATOM 210 O GLY A 599 5.468 13.798 14.335 1.00 65.93 O ATOM 211 H GLY A 599 3.701 13.546 16.048 1.00 0.00 H ATOM 212 N SER A 600 4.828 15.087 12.588 1.00 70.81 N ATOM 213 CA SER A 600 6.172 15.252 12.035 1.00 63.93 C ATOM 214 C SER A 600 6.921 16.395 12.714 1.00 53.85 C ATOM 215 O SER A 600 6.327 17.411 13.079 1.00 55.52 O ATOM 216 CB SER A 600 6.099 15.522 10.529 1.00 67.46 C ATOM 217 OG SER A 600 5.433 14.473 9.837 1.00 67.90 O ATOM 218 HG SER A 600 5.922 13.624 9.978 1.00 0.00 H ATOM 219 H SER A 600 4.031 15.554 12.110 1.00 0.00 H ATOM 220 N VAL A 601 8.221 16.206 12.904 1.00 48.33 N ATOM 221 CA VAL A 601 9.118 17.280 13.310 1.00 48.44 C ATOM 222 C VAL A 601 9.784 17.800 12.038 1.00 48.54 C ATOM 223 O VAL A 601 10.444 17.043 11.317 1.00 47.22 O ATOM 224 CB VAL A 601 10.182 16.805 14.327 1.00 49.48 C ATOM 225 CG1 VAL A 601 11.046 17.974 14.798 1.00 46.50 C ATOM 226 CG2 VAL A 601 9.508 16.116 15.512 1.00 47.85 C ATOM 227 H VAL A 601 8.615 15.255 12.757 1.00 0.00 H ATOM 228 N MET A 602 9.597 19.089 11.772 1.00 51.79 N ATOM 229 CA MET A 602 10.131 19.747 10.581 1.00 54.97 C ATOM 230 C MET A 602 11.236 20.719 10.954 1.00 53.32 C ATOM 231 O MET A 602 11.232 21.288 12.044 1.00 54.59 O ATOM 232 CB MET A 602 9.014 20.509 9.856 1.00 57.70 C ATOM 233 CG MET A 602 8.202 19.634 8.924 1.00 63.22 C ATOM 234 SD MET A 602 6.630 20.338 8.427 1.00 70.52 S ATOM 235 CE MET A 602 5.509 19.388 9.448 1.00 72.27 C ATOM 236 H MET A 602 9.043 19.657 12.444 1.00 0.00 H ATOM 237 N GLU A 603 12.183 20.898 10.040 1.00 55.02 N ATOM 238 CA GLU A 603 13.122 22.009 10.126 1.00 56.29 C ATOM 239 C GLU A 603 12.399 23.308 9.797 1.00 54.71 C ATOM 240 O GLU A 603 11.414 23.316 9.051 1.00 54.19 O ATOM 241 CB GLU A 603 14.314 21.825 9.179 1.00 62.83 C ATOM 242 CG GLU A 603 13.961 21.748 7.693 1.00 65.46 C ATOM 243 CD GLU A 603 15.062 22.214 6.770 1.00 71.63 C ATOM 244 OE1 GLU A 603 16.256 22.054 7.111 1.00 84.55 O ATOM 245 OE2 GLU A 603 14.728 22.733 5.681 1.00 66.83 O ATOM 246 H GLU A 603 12.256 20.231 9.246 1.00 0.00 H ATOM 247 N GLY A 604 12.903 24.407 10.342 1.00 54.89 N ATOM 248 CA GLY A 604 12.314 25.712 10.092 1.00 56.41 C ATOM 249 C GLY A 604 13.258 26.866 10.316 1.00 54.74 C ATOM 250 O GLY A 604 14.369 26.687 10.823 1.00 53.32 O ATOM 251 H GLY A 604 13.736 24.334 10.960 1.00 0.00 H ATOM 252 N ASN A 605 12.793 28.048 9.913 1.00 55.46 N ATOM 253 CA ASN A 605 13.502 29.303 10.097 1.00 49.51 C ATOM 254 C ASN A 605 12.621 30.228 10.914 1.00 49.09 C ATOM 255 O ASN A 605 11.491 30.516 10.512 1.00 50.54 O ATOM 256 CB ASN A 605 13.794 29.952 8.741 1.00 46.28 C ATOM 257 CG ASN A 605 15.025 29.385 8.058 1.00 47.35 C ATOM 258 OD1 ASN A 605 15.666 28.442 8.535 1.00 47.98 O ATOM 259 ND2 ASN A 605 15.369 29.975 6.926 1.00 50.62 N ATOM 260 HD22 ASN A 605 14.802 30.766 6.559 1.00 0.00 H ATOM 261 HD21 ASN A 605 16.206 29.648 6.403 1.00 0.00 H ATOM 262 H ASN A 605 11.868 28.074 9.439 1.00 0.00 H ATOM 263 N LEU A 606 13.135 30.686 12.055 1.00 50.75 N ATOM 264 CA LEU A 606 12.428 31.633 12.915 1.00 52.69 C ATOM 265 C LEU A 606 13.068 33.011 12.797 1.00 59.56 C ATOM 266 O LEU A 606 14.252 33.170 13.096 1.00 61.07 O ATOM 267 CB LEU A 606 12.478 31.171 14.373 1.00 49.56 C ATOM 268 CG LEU A 606 11.679 32.009 15.382 1.00 49.05 C ATOM 269 CD1 LEU A 606 10.184 31.835 15.153 1.00 49.23 C ATOM 270 CD2 LEU A 606 12.056 31.652 16.813 1.00 46.76 C ATOM 271 H LEU A 606 14.078 30.356 12.345 1.00 0.00 H ATOM 272 N LYS A 607 12.280 34.000 12.370 1.00 71.86 N ATOM 273 CA LYS A 607 12.711 35.404 12.373 1.00 77.83 C ATOM 274 C LYS A 607 12.646 35.916 13.815 1.00 72.13 C ATOM 275 O LYS A 607 11.575 35.910 14.431 1.00 64.68 O ATOM 276 CB LYS A 607 11.824 36.254 11.451 1.00 83.20 C ATOM 277 CG LYS A 607 12.499 37.501 10.897 1.00 87.27 C ATOM 278 CD LYS A 607 11.590 38.239 9.916 1.00 96.58 C ATOM 279 CE LYS A 607 12.362 38.946 8.807 1.00103.07 C ATOM 280 NZ LYS A 607 13.201 40.073 9.299 1.00 99.85 N ATOM 281 HZ1 LYS A 607 12.593 40.781 9.759 1.00 0.00 H ATOM 282 HZ2 LYS A 607 13.896 39.713 9.984 1.00 0.00 H ATOM 283 HZ3 LYS A 607 13.698 40.510 8.497 1.00 0.00 H ATOM 284 H LYS A 607 11.327 33.768 12.023 1.00 0.00 H ATOM 285 N GLN A 608 13.792 36.331 14.350 1.00 69.99 N ATOM 286 CA GLN A 608 13.889 36.775 15.745 1.00 73.73 C ATOM 287 C GLN A 608 13.608 38.270 15.871 1.00 75.80 C ATOM 288 O GLN A 608 13.549 38.994 14.867 1.00 70.99 O ATOM 289 CB GLN A 608 15.270 36.450 16.320 1.00 73.39 C ATOM 290 CG GLN A 608 15.703 35.007 16.097 1.00 77.42 C ATOM 291 CD GLN A 608 16.621 34.482 17.188 1.00 76.21 C ATOM 292 OE1 GLN A 608 16.177 34.236 18.310 1.00 81.01 O ATOM 293 NE2 GLN A 608 17.901 34.294 16.865 1.00 72.74 N ATOM 294 HE22 GLN A 608 18.233 34.515 15.905 1.00 0.00 H ATOM 295 HE21 GLN A 608 18.567 33.926 17.574 1.00 0.00 H ATOM 296 H GLN A 608 14.648 36.341 13.759 1.00 0.00 H ATOM 297 N GLU A 609 13.444 38.728 17.110 1.00 78.64 N ATOM 298 CA GLU A 609 13.112 40.132 17.377 1.00 77.47 C ATOM 299 C GLU A 609 14.240 41.095 16.990 1.00 73.92 C ATOM 300 O GLU A 609 13.974 42.237 16.609 1.00 67.23 O ATOM 301 CB GLU A 609 12.724 40.322 18.842 1.00 76.13 C ATOM 302 CG GLU A 609 13.886 40.221 19.831 1.00 80.49 C ATOM 303 CD GLU A 609 13.430 40.044 21.269 1.00 84.70 C ATOM 304 OE1 GLU A 609 12.930 41.043 21.808 1.00 97.49 O ATOM 305 OE2 GLU A 609 13.575 38.940 21.867 1.00 76.39 O ATOM 306 H GLU A 609 13.554 38.073 17.910 1.00 0.00 H ATOM 307 N ASP A 610 15.486 40.622 17.062 1.00 68.59 N ATOM 308 CA ASP A 610 16.635 41.399 16.592 1.00 62.31 C ATOM 309 C ASP A 610 16.807 41.431 15.057 1.00 57.41 C ATOM 310 O ASP A 610 17.827 41.919 14.566 1.00 59.29 O ATOM 311 CB ASP A 610 17.930 40.939 17.295 1.00 62.78 C ATOM 312 CG ASP A 610 18.510 39.647 16.720 1.00 67.70 C ATOM 313 OD1 ASP A 610 17.795 38.895 16.028 1.00 68.13 O ATOM 314 OD2 ASP A 610 19.704 39.382 16.975 1.00 73.15 O ATOM 315 H ASP A 610 15.645 39.676 17.463 1.00 0.00 H ATOM 316 N GLY A 611 15.835 40.902 14.306 1.00 59.05 N ATOM 317 CA GLY A 611 15.855 40.945 12.837 1.00 59.21 C ATOM 318 C GLY A 611 16.389 39.691 12.161 1.00 59.60 C ATOM 319 O GLY A 611 15.933 39.344 11.071 1.00 62.34 O ATOM 320 H GLY A 611 15.032 40.442 14.781 1.00 0.00 H ATOM 321 N THR A 612 17.339 39.008 12.807 1.00 61.32 N ATOM 322 CA THR A 612 18.022 37.844 12.226 1.00 58.39 C ATOM 323 C THR A 612 17.136 36.604 12.229 1.00 60.04 C ATOM 324 O THR A 612 16.110 36.557 12.920 1.00 62.02 O ATOM 325 CB THR A 612 19.319 37.496 12.989 1.00 61.59 C ATOM 326 OG1 THR A 612 19.004 37.071 14.322 1.00 70.92 O ATOM 327 CG2 THR A 612 20.263 38.694 13.044 1.00 63.00 C ATOM 328 HG1 THR A 612 18.532 37.800 14.797 1.00 0.00 H ATOM 329 H THR A 612 17.607 39.314 13.764 1.00 0.00 H ATOM 330 N SER A 613 17.547 35.601 11.453 1.00 61.00 N ATOM 331 CA SER A 613 16.832 34.324 11.379 1.00 56.70 C ATOM 332 C SER A 613 17.665 33.189 11.950 1.00 55.65 C ATOM 333 O SER A 613 18.886 33.149 11.777 1.00 53.08 O ATOM 334 CB SER A 613 16.390 34.009 9.946 1.00 53.57 C ATOM 335 OG SER A 613 15.035 34.386 9.760 1.00 58.14 O ATOM 336 HG SER A 613 14.760 34.178 8.832 1.00 0.00 H ATOM 337 H SER A 613 18.405 35.729 10.880 1.00 0.00 H ATOM 338 N LEU A 614 16.975 32.267 12.620 1.00 54.39 N ATOM 339 CA LEU A 614 17.589 31.152 13.326 1.00 55.20 C ATOM 340 C LEU A 614 16.987 29.845 12.838 1.00 52.06 C ATOM 341 O LEU A 614 15.774 29.749 12.656 1.00 55.86 O ATOM 342 CB LEU A 614 17.324 31.300 14.823 1.00 56.21 C ATOM 343 CG LEU A 614 18.119 30.409 15.772 1.00 53.48 C ATOM 344 CD1 LEU A 614 19.594 30.794 15.791 1.00 54.25 C ATOM 345 CD2 LEU A 614 17.509 30.514 17.161 1.00 53.53 C ATOM 346 H LEU A 614 15.938 32.349 12.640 1.00 0.00 H ATOM 347 N LYS A 615 17.836 28.838 12.654 1.00 50.90 N ATOM 348 CA LYS A 615 17.376 27.500 12.312 1.00 51.58 C ATOM 349 C LYS A 615 16.683 26.891 13.530 1.00 48.51 C ATOM 350 O LYS A 615 17.209 26.947 14.638 1.00 44.06 O ATOM 351 CB LYS A 615 18.547 26.613 11.872 1.00 55.92 C ATOM 352 CG LYS A 615 18.134 25.431 11.010 1.00 57.91 C ATOM 353 CD LYS A 615 17.884 25.880 9.579 1.00 64.53 C ATOM 354 CE LYS A 615 17.208 24.816 8.736 1.00 69.03 C ATOM 355 NZ LYS A 615 16.447 25.466 7.627 1.00 73.71 N ATOM 356 HZ1 LYS A 615 15.727 26.100 8.028 1.00 0.00 H ATOM 357 HZ2 LYS A 615 17.102 26.014 7.034 1.00 0.00 H ATOM 358 HZ3 LYS A 615 15.984 24.734 7.050 1.00 0.00 H ATOM 359 H LYS A 615 18.856 29.011 12.757 1.00 0.00 H ATOM 360 N VAL A 616 15.499 26.328 13.321 1.00 47.11 N ATOM 361 CA VAL A 616 14.721 25.728 14.406 1.00 46.40 C ATOM 362 C VAL A 616 14.162 24.377 14.001 1.00 44.51 C ATOM 363 O VAL A 616 14.144 24.038 12.818 1.00 45.36 O ATOM 364 CB VAL A 616 13.562 26.647 14.866 1.00 47.92 C ATOM 365 CG1 VAL A 616 14.125 27.914 15.498 1.00 48.23 C ATOM 366 CG2 VAL A 616 12.614 26.990 13.720 1.00 46.33 C ATOM 367 H VAL A 616 15.112 26.313 12.356 1.00 0.00 H ATOM 368 N ALA A 617 13.731 23.618 15.007 1.00 43.79 N ATOM 369 CA ALA A 617 12.945 22.406 14.820 1.00 44.11 C ATOM 370 C ALA A 617 11.518 22.700 15.264 1.00 43.91 C ATOM 371 O ALA A 617 11.311 23.367 16.281 1.00 40.67 O ATOM 372 CB ALA A 617 13.529 21.269 15.637 1.00 43.87 C ATOM 373 H ALA A 617 13.968 23.906 15.978 1.00 0.00 H ATOM 374 N VAL A 618 10.545 22.194 14.508 1.00 45.32 N ATOM 375 CA VAL A 618 9.128 22.464 14.755 1.00 49.86 C ATOM 376 C VAL A 618 8.317 21.162 14.821 1.00 50.51 C ATOM 377 O VAL A 618 8.038 20.549 13.782 1.00 49.53 O ATOM 378 CB VAL A 618 8.545 23.385 13.654 1.00 51.98 C ATOM 379 CG1 VAL A 618 7.065 23.668 13.901 1.00 47.36 C ATOM 380 CG2 VAL A 618 9.341 24.685 13.575 1.00 54.30 C ATOM 381 H VAL A 618 10.803 21.581 13.708 1.00 0.00 H ATOM 382 N LYS A 619 7.947 20.746 16.036 1.00 50.46 N ATOM 383 CA LYS A 619 6.988 19.634 16.213 1.00 49.82 C ATOM 384 C LYS A 619 5.575 20.084 15.886 1.00 47.47 C ATOM 385 O LYS A 619 5.136 21.099 16.413 1.00 44.71 O ATOM 386 CB LYS A 619 6.929 19.102 17.648 1.00 49.53 C ATOM 387 CG LYS A 619 8.195 18.626 18.290 1.00 53.99 C ATOM 388 CD LYS A 619 7.863 17.592 19.355 1.00 56.64 C ATOM 389 CE LYS A 619 9.081 17.193 20.161 1.00 56.10 C ATOM 390 NZ LYS A 619 8.703 16.799 21.545 1.00 61.11 N ATOM 391 HZ1 LYS A 619 8.239 17.601 22.018 1.00 0.00 H ATOM 392 HZ2 LYS A 619 8.049 15.991 21.508 1.00 0.00 H ATOM 393 HZ3 LYS A 619 9.558 16.531 22.073 1.00 0.00 H ATOM 394 H LYS A 619 8.342 21.215 16.876 1.00 0.00 H ATOM 395 N THR A 620 4.855 19.289 15.094 1.00 50.05 N ATOM 396 CA THR A 620 3.517 19.649 14.598 1.00 59.31 C ATOM 397 C THR A 620 2.361 18.707 14.941 1.00 63.60 C ATOM 398 O THR A 620 2.572 17.534 15.247 1.00 67.74 O ATOM 399 CB THR A 620 3.504 19.619 13.073 1.00 64.02 C ATOM 400 OG1 THR A 620 3.849 18.295 12.636 1.00 68.00 O ATOM 401 CG2 THR A 620 4.476 20.623 12.511 1.00 64.05 C ATOM 402 HG1 THR A 620 4.752 18.063 12.970 1.00 0.00 H ATOM 403 H THR A 620 5.258 18.372 14.814 1.00 0.00 H ATOM 404 N MET A 621 1.143 19.247 14.805 1.00 71.15 N ATOM 405 CA MET A 621 -0.134 18.500 14.803 1.00 70.58 C ATOM 406 C MET A 621 -0.514 17.916 16.171 1.00 68.18 C ATOM 407 O MET A 621 -1.473 18.368 16.817 1.00 61.81 O ATOM 408 CB MET A 621 -0.145 17.412 13.708 1.00 67.50 C ATOM 409 CG MET A 621 -1.548 16.963 13.317 1.00 75.76 C ATOM 410 SD MET A 621 -1.661 15.832 11.910 1.00 90.25 S ATOM 411 CE MET A 621 -1.303 14.247 12.672 1.00 78.38 C ATOM 412 H MET A 621 1.090 20.279 14.691 1.00 0.00 H TER 413 MET A 621 ATOM 414 N ALA A 638 4.784 21.209 26.418 1.00 77.87 N ATOM 415 CA ALA A 638 5.177 22.638 26.184 1.00 75.14 C ATOM 416 C ALA A 638 5.020 23.541 27.412 1.00 72.64 C ATOM 417 O ALA A 638 5.834 24.442 27.621 1.00 70.00 O ATOM 418 CB ALA A 638 4.410 23.230 25.009 1.00 73.33 C ATOM 419 HN3 ALA A 638 3.785 21.168 26.702 1.00 0.00 H ATOM 420 HN2 ALA A 638 5.377 20.807 27.172 1.00 0.00 H ATOM 421 HN1 ALA A 638 4.919 20.666 25.542 1.00 0.00 H ATOM 422 N ALA A 639 3.965 23.316 28.197 1.00 74.46 N ATOM 423 CA ALA A 639 3.782 24.001 29.482 1.00 78.22 C ATOM 424 C ALA A 639 4.897 23.646 30.468 1.00 81.17 C ATOM 425 O ALA A 639 5.374 24.509 31.217 1.00 84.05 O ATOM 426 CB ALA A 639 2.426 23.659 30.077 1.00 77.70 C ATOM 427 H ALA A 639 3.247 22.631 27.887 1.00 0.00 H ATOM 428 N CYS A 640 5.299 22.374 30.462 1.00 76.40 N ATOM 429 CA CYS A 640 6.437 21.897 31.253 1.00 80.10 C ATOM 430 C CYS A 640 7.761 22.524 30.837 1.00 75.75 C ATOM 431 O CYS A 640 8.569 22.904 31.687 1.00 75.01 O ATOM 432 CB CYS A 640 6.549 20.379 31.125 1.00 85.30 C ATOM 433 SG CYS A 640 5.033 19.535 31.639 1.00 96.71 S ATOM 434 H CYS A 640 4.783 21.692 29.871 1.00 0.00 H ATOM 435 N MET A 641 7.978 22.611 29.528 1.00 73.54 N ATOM 436 CA MET A 641 9.221 23.147 28.982 1.00 70.59 C ATOM 437 C MET A 641 9.436 24.616 29.314 1.00 69.36 C ATOM 438 O MET A 641 10.570 25.012 29.577 1.00 66.25 O ATOM 439 CB MET A 641 9.284 22.946 27.463 1.00 73.84 C ATOM 440 CG MET A 641 9.440 21.496 27.057 1.00 72.62 C ATOM 441 SD MET A 641 9.827 21.324 25.311 1.00 74.20 S ATOM 442 CE MET A 641 8.216 20.926 24.615 1.00 88.98 C ATOM 443 H MET A 641 7.239 22.287 28.872 1.00 0.00 H ATOM 444 N LYS A 642 8.366 25.415 29.287 1.00 76.69 N ATOM 445 CA LYS A 642 8.448 26.848 29.634 1.00 85.38 C ATOM 446 C LYS A 642 9.138 27.095 30.981 1.00 86.95 C ATOM 447 O LYS A 642 9.927 28.033 31.118 1.00 86.81 O ATOM 448 CB LYS A 642 7.054 27.499 29.630 1.00 86.19 C ATOM 449 CG LYS A 642 7.023 28.901 30.229 1.00 88.12 C ATOM 450 CD LYS A 642 5.790 29.692 29.843 1.00 85.92 C ATOM 451 CE LYS A 642 5.761 31.022 30.576 1.00 81.54 C ATOM 452 NZ LYS A 642 4.737 31.931 30.003 1.00 85.88 N ATOM 453 HZ1 LYS A 642 4.955 32.109 29.002 1.00 0.00 H ATOM 454 HZ2 LYS A 642 3.799 31.488 30.082 1.00 0.00 H ATOM 455 HZ3 LYS A 642 4.742 32.830 30.525 1.00 0.00 H ATOM 456 H LYS A 642 7.446 25.015 29.013 1.00 0.00 H ATOM 457 N ASP A 643 8.854 26.244 31.960 1.00 86.30 N ATOM 458 CA ASP A 643 9.443 26.393 33.295 1.00 85.43 C ATOM 459 C ASP A 643 10.944 26.019 33.408 1.00 81.83 C ATOM 460 O ASP A 643 11.514 26.233 34.475 1.00 84.99 O ATOM 461 CB ASP A 643 8.607 25.608 34.331 1.00 91.24 C ATOM 462 CG ASP A 643 7.249 26.261 34.628 1.00 93.32 C ATOM 463 OD1 ASP A 643 7.188 27.498 34.793 1.00 86.17 O ATOM 464 OD2 ASP A 643 6.240 25.529 34.722 1.00 83.51 O ATOM 465 H ASP A 643 8.201 25.456 31.776 1.00 0.00 H ATOM 466 N PHE A 644 11.568 25.476 32.346 1.00 73.96 N ATOM 467 CA PHE A 644 12.971 24.987 32.367 1.00 64.76 C ATOM 468 C PHE A 644 14.053 25.901 31.760 1.00 58.57 C ATOM 469 O PHE A 644 13.963 26.324 30.604 1.00 63.73 O ATOM 470 CB PHE A 644 13.070 23.623 31.650 1.00 60.03 C ATOM 471 CG PHE A 644 12.115 22.572 32.162 1.00 59.78 C ATOM 472 CD1 PHE A 644 11.688 22.542 33.495 1.00 62.44 C ATOM 473 CD2 PHE A 644 11.667 21.572 31.304 1.00 61.64 C ATOM 474 CE1 PHE A 644 10.809 21.562 33.938 1.00 61.05 C ATOM 475 CE2 PHE A 644 10.795 20.589 31.745 1.00 59.89 C ATOM 476 CZ PHE A 644 10.363 20.585 33.062 1.00 57.45 C ATOM 477 H PHE A 644 11.036 25.394 31.456 1.00 0.00 H ATOM 478 N SER A 645 15.108 26.138 32.536 1.00 52.57 N ATOM 479 CA SER A 645 16.316 26.792 32.061 1.00 54.12 C ATOM 480 C SER A 645 17.536 26.037 32.595 1.00 54.11 C ATOM 481 O SER A 645 17.893 26.166 33.770 1.00 62.68 O ATOM 482 CB SER A 645 16.344 28.252 32.517 1.00 56.17 C ATOM 483 OG SER A 645 17.515 28.900 32.059 1.00 61.48 O ATOM 484 HG SER A 645 17.511 29.841 32.365 1.00 0.00 H ATOM 485 H SER A 645 15.066 25.840 33.532 1.00 0.00 H ATOM 486 N HIS A 646 18.164 25.244 31.727 1.00 52.05 N ATOM 487 CA HIS A 646 19.372 24.476 32.076 1.00 50.00 C ATOM 488 C HIS A 646 20.050 24.016 30.783 1.00 46.96 C ATOM 489 O HIS A 646 19.347 23.644 29.847 1.00 45.63 O ATOM 490 CB HIS A 646 18.990 23.267 32.935 1.00 51.60 C ATOM 491 CG HIS A 646 20.158 22.571 33.555 1.00 53.44 C ATOM 492 ND1 HIS A 646 20.776 21.492 32.966 1.00 55.99 N ATOM 493 CD2 HIS A 646 20.829 22.806 34.706 1.00 55.81 C ATOM 494 CE1 HIS A 646 21.776 21.087 33.728 1.00 54.19 C ATOM 495 NE2 HIS A 646 21.829 21.868 34.791 1.00 56.51 N ATOM 496 H HIS A 646 17.785 25.164 30.762 1.00 0.00 H ATOM 497 N PRO A 647 21.402 24.036 30.714 1.00 48.49 N ATOM 498 CA PRO A 647 22.077 23.711 29.431 1.00 46.46 C ATOM 499 C PRO A 647 21.742 22.320 28.878 1.00 45.46 C ATOM 500 O PRO A 647 21.508 22.170 27.680 1.00 46.62 O ATOM 501 CB PRO A 647 23.576 23.809 29.776 1.00 45.66 C ATOM 502 CG PRO A 647 23.639 24.634 31.009 1.00 48.04 C ATOM 503 CD PRO A 647 22.386 24.314 31.777 1.00 49.88 C ATOM 504 N ASN A 648 21.717 21.327 29.760 1.00 46.64 N ATOM 505 CA ASN A 648 21.394 19.935 29.411 1.00 42.35 C ATOM 506 C ASN A 648 19.898 19.568 29.426 1.00 39.23 C ATOM 507 O ASN A 648 19.542 18.404 29.582 1.00 38.58 O ATOM 508 CB ASN A 648 22.184 19.011 30.338 1.00 40.43 C ATOM 509 CG ASN A 648 23.665 19.338 30.345 1.00 44.61 C ATOM 510 OD1 ASN A 648 24.223 19.749 31.364 1.00 48.06 O ATOM 511 ND2 ASN A 648 24.301 19.205 29.188 1.00 47.85 N ATOM 512 HD22 ASN A 648 23.792 18.854 28.352 1.00 0.00 H ATOM 513 HD21 ASN A 648 25.309 19.452 29.117 1.00 0.00 H ATOM 514 H ASN A 648 21.938 21.546 30.752 1.00 0.00 H ATOM 515 N VAL A 649 19.030 20.561 29.268 1.00 41.82 N ATOM 516 CA VAL A 649 17.592 20.350 29.144 1.00 44.72 C ATOM 517 C VAL A 649 17.098 21.243 28.020 1.00 50.72 C ATOM 518 O VAL A 649 17.376 22.445 28.019 1.00 54.86 O ATOM 519 CB VAL A 649 16.863 20.709 30.444 1.00 43.35 C ATOM 520 CG1 VAL A 649 15.352 20.676 30.249 1.00 44.21 C ATOM 521 CG2 VAL A 649 17.295 19.758 31.551 1.00 44.34 C ATOM 522 H VAL A 649 19.393 21.535 29.231 1.00 0.00 H ATOM 523 N MET A 650 16.379 20.658 27.064 1.00 53.59 N ATOM 524 CA MET A 650 15.865 21.417 25.935 1.00 55.94 C ATOM 525 C MET A 650 14.897 22.499 26.409 1.00 55.48 C ATOM 526 O MET A 650 14.050 22.256 27.278 1.00 52.35 O ATOM 527 CB MET A 650 15.173 20.505 24.924 1.00 58.85 C ATOM 528 CG MET A 650 14.705 21.241 23.680 1.00 61.06 C ATOM 529 SD MET A 650 14.411 20.157 22.277 1.00 76.53 S ATOM 530 CE MET A 650 16.096 19.853 21.747 1.00 74.86 C ATOM 531 H MET A 650 16.181 19.639 27.126 1.00 0.00 H ATOM 532 N ARG A 651 15.045 23.680 25.807 1.00 55.57 N ATOM 533 CA ARG A 651 14.294 24.884 26.143 1.00 57.86 C ATOM 534 C ARG A 651 13.203 25.133 25.083 1.00 50.09 C ATOM 535 O ARG A 651 13.258 24.635 23.955 1.00 44.71 O ATOM 536 CB ARG A 651 15.282 26.080 26.240 1.00 65.74 C ATOM 537 CG ARG A 651 15.835 26.594 24.895 1.00 75.44 C ATOM 538 CD ARG A 651 17.248 27.242 24.963 1.00 84.93 C ATOM 539 NE ARG A 651 18.216 26.647 24.027 1.00 94.95 N ATOM 540 CZ ARG A 651 18.694 25.394 24.069 1.00 95.73 C ATOM 541 NH1 ARG A 651 18.299 24.516 24.997 1.00 98.22 N ATOM 542 NH2 ARG A 651 19.581 25.007 23.151 1.00 86.64 N ATOM 543 HE ARG A 651 18.563 27.257 23.259 1.00 0.00 H ATOM 544 HH12 ARG A 651 18.690 23.552 25.001 1.00 0.00 H ATOM 545 HH11 ARG A 651 17.601 24.797 25.715 1.00 0.00 H ATOM 546 HH22 ARG A 651 19.961 24.039 23.170 1.00 0.00 H ATOM 547 HH21 ARG A 651 19.893 25.673 22.416 1.00 0.00 H ATOM 548 H ARG A 651 15.747 23.747 25.043 1.00 0.00 H ATOM 549 N LEU A 652 12.189 25.878 25.492 1.00 50.59 N ATOM 550 CA LEU A 652 11.079 26.259 24.644 1.00 49.70 C ATOM 551 C LEU A 652 11.375 27.616 24.011 1.00 52.41 C ATOM 552 O LEU A 652 11.583 28.600 24.721 1.00 53.36 O ATOM 553 CB LEU A 652 9.809 26.304 25.500 1.00 54.58 C ATOM 554 CG LEU A 652 8.488 26.280 24.734 1.00 62.04 C ATOM 555 CD1 LEU A 652 8.100 24.857 24.393 1.00 65.88 C ATOM 556 CD2 LEU A 652 7.313 26.996 25.406 1.00 65.66 C ATOM 557 H LEU A 652 12.189 26.209 26.478 1.00 0.00 H ATOM 558 N LEU A 653 11.400 27.664 22.678 1.00 54.06 N ATOM 559 CA LEU A 653 11.575 28.923 21.944 1.00 53.79 C ATOM 560 C LEU A 653 10.244 29.651 21.770 1.00 52.95 C ATOM 561 O LEU A 653 10.184 30.874 21.901 1.00 49.56 O ATOM 562 CB LEU A 653 12.239 28.669 20.589 1.00 51.76 C ATOM 563 CG LEU A 653 13.585 27.941 20.664 1.00 52.54 C ATOM 564 CD1 LEU A 653 14.192 27.822 19.275 1.00 51.31 C ATOM 565 CD2 LEU A 653 14.557 28.637 21.614 1.00 53.24 C ATOM 566 H LEU A 653 11.292 26.780 22.141 1.00 0.00 H ATOM 567 N GLY A 654 9.188 28.899 21.468 1.00 53.92 N ATOM 568 CA GLY A 654 7.830 29.432 21.503 1.00 55.59 C ATOM 569 C GLY A 654 6.782 28.458 21.008 1.00 58.09 C ATOM 570 O GLY A 654 7.065 27.271 20.832 1.00 54.06 O ATOM 571 H GLY A 654 9.335 27.905 21.200 1.00 0.00 H ATOM 572 N VAL A 655 5.570 28.980 20.799 1.00 62.03 N ATOM 573 CA VAL A 655 4.441 28.233 20.227 1.00 59.87 C ATOM 574 C VAL A 655 3.833 29.058 19.094 1.00 61.36 C ATOM 575 O VAL A 655 3.833 30.283 19.154 1.00 71.29 O ATOM 576 CB VAL A 655 3.345 27.938 21.282 1.00 63.33 C ATOM 577 CG1 VAL A 655 2.185 27.154 20.674 1.00 64.17 C ATOM 578 CG2 VAL A 655 3.924 27.168 22.463 1.00 65.32 C ATOM 579 H VAL A 655 5.416 29.976 21.057 1.00 0.00 H ATOM 580 N CYS A 656 3.333 28.380 18.063 1.00 64.96 N ATOM 581 CA CYS A 656 2.549 29.004 16.989 1.00 70.11 C ATOM 582 C CYS A 656 1.276 28.200 16.789 1.00 68.21 C ATOM 583 O CYS A 656 1.273 26.982 16.965 1.00 57.10 O ATOM 584 CB CYS A 656 3.340 29.044 15.677 1.00 77.07 C ATOM 585 SG CYS A 656 4.664 30.271 15.612 1.00 97.15 S ATOM 586 H CYS A 656 3.507 27.356 18.016 1.00 0.00 H ATOM 587 N ILE A 657 0.193 28.887 16.437 1.00 79.33 N ATOM 588 CA ILE A 657 -1.045 28.229 16.019 1.00 88.41 C ATOM 589 C ILE A 657 -1.464 28.826 14.682 1.00 83.59 C ATOM 590 O ILE A 657 -1.963 29.949 14.628 1.00 78.33 O ATOM 591 CB ILE A 657 -2.176 28.362 17.067 1.00 96.03 C ATOM 592 CG1 ILE A 657 -1.695 27.831 18.429 1.00102.05 C ATOM 593 CG2 ILE A 657 -3.420 27.604 16.599 1.00 95.37 C ATOM 594 CD1 ILE A 657 -2.725 27.870 19.541 1.00103.96 C ATOM 595 H ILE A 657 0.227 29.926 16.460 1.00 0.00 H ATOM 596 N GLU A 658 -1.216 28.073 13.612 1.00 86.58 N ATOM 597 CA GLU A 658 -1.729 28.389 12.284 1.00 88.09 C ATOM 598 C GLU A 658 -3.137 27.812 12.160 1.00 80.50 C ATOM 599 O GLU A 658 -3.421 26.737 12.689 1.00 75.09 O ATOM 600 CB GLU A 658 -0.819 27.792 11.207 1.00 89.74 C ATOM 601 CG GLU A 658 -1.104 28.298 9.797 1.00 98.02 C ATOM 602 CD GLU A 658 -0.063 27.854 8.778 1.00100.88 C ATOM 603 OE1 GLU A 658 0.677 26.882 9.050 1.00 98.18 O ATOM 604 OE2 GLU A 658 0.019 28.484 7.699 1.00 98.96 O ATOM 605 H GLU A 658 -0.630 27.222 13.729 1.00 0.00 H ATOM 606 N MET A 659 -4.015 28.538 11.478 1.00 79.71 N ATOM 607 CA MET A 659 -5.367 28.060 11.199 1.00 80.38 C ATOM 608 C MET A 659 -5.422 27.567 9.762 1.00 71.47 C ATOM 609 O MET A 659 -4.919 28.236 8.859 1.00 73.76 O ATOM 610 CB MET A 659 -6.387 29.180 11.422 1.00 83.65 C ATOM 611 CG MET A 659 -6.581 29.571 12.885 1.00 89.31 C ATOM 612 SD MET A 659 -7.172 28.252 13.980 1.00 97.10 S ATOM 613 CE MET A 659 -8.583 27.613 13.075 1.00 98.56 C ATOM 614 H MET A 659 -3.731 29.477 11.131 1.00 0.00 H ATOM 615 N SER A 660 -6.020 26.395 9.553 1.00 62.84 N ATOM 616 CA SER A 660 -6.158 25.834 8.211 1.00 60.95 C ATOM 617 C SER A 660 -7.332 26.510 7.500 1.00 67.76 C ATOM 618 O SER A 660 -7.215 27.671 7.115 1.00 73.56 O ATOM 619 CB SER A 660 -6.288 24.304 8.249 1.00 59.40 C ATOM 620 OG SER A 660 -7.556 23.886 8.732 1.00 57.31 O ATOM 621 HG SER A 660 -7.595 22.897 8.739 1.00 0.00 H ATOM 622 H SER A 660 -6.398 25.866 10.365 1.00 0.00 H ATOM 623 N SER A 661 -8.460 25.808 7.358 1.00 74.95 N ATOM 624 CA SER A 661 -9.577 26.255 6.516 1.00 68.51 C ATOM 625 C SER A 661 -10.729 25.247 6.531 1.00 64.07 C ATOM 626 O SER A 661 -11.285 24.936 7.581 1.00 59.94 O ATOM 627 CB SER A 661 -9.105 26.477 5.073 1.00 68.72 C ATOM 628 OG SER A 661 -8.124 25.520 4.690 1.00 64.96 O ATOM 629 HG SER A 661 -7.843 25.693 3.757 1.00 0.00 H ATOM 630 H SER A 661 -8.551 24.905 7.866 1.00 0.00 H TER 631 SER A 661 ATOM 632 N PRO A 667 -1.559 23.328 16.122 1.00 61.62 N ATOM 633 CA PRO A 667 -0.482 24.051 16.800 1.00 63.15 C ATOM 634 C PRO A 667 0.914 23.481 16.514 1.00 63.76 C ATOM 635 O PRO A 667 1.039 22.339 16.060 1.00 64.14 O ATOM 636 CB PRO A 667 -0.843 23.891 18.280 1.00 60.63 C ATOM 637 CG PRO A 667 -1.534 22.579 18.348 1.00 60.28 C ATOM 638 CD PRO A 667 -2.269 22.420 17.043 1.00 62.30 C ATOM 639 HN2 PRO A 667 -1.153 22.770 15.344 1.00 0.00 H ATOM 640 HN1 PRO A 667 -2.237 24.016 15.737 1.00 0.00 H ATOM 641 N MET A 668 1.942 24.285 16.793 1.00 63.45 N ATOM 642 CA MET A 668 3.331 23.944 16.503 1.00 60.17 C ATOM 643 C MET A 668 4.248 24.399 17.639 1.00 58.43 C ATOM 644 O MET A 668 4.340 25.599 17.916 1.00 67.30 O ATOM 645 CB MET A 668 3.785 24.656 15.236 1.00 61.80 C ATOM 646 CG MET A 668 2.988 24.346 13.986 1.00 66.15 C ATOM 647 SD MET A 668 3.544 25.391 12.633 1.00 73.22 S ATOM 648 CE MET A 668 2.767 26.932 13.078 1.00 76.88 C ATOM 649 H MET A 668 1.743 25.202 17.240 1.00 0.00 H ATOM 650 N VAL A 669 4.951 23.462 18.269 1.00 50.86 N ATOM 651 CA VAL A 669 5.947 23.821 19.287 1.00 51.27 C ATOM 652 C VAL A 669 7.326 24.016 18.618 1.00 50.23 C ATOM 653 O VAL A 669 7.788 23.163 17.859 1.00 52.05 O ATOM 654 CB VAL A 669 5.953 22.869 20.504 1.00 51.39 C ATOM 655 CG1 VAL A 669 4.591 22.894 21.193 1.00 50.40 C ATOM 656 CG2 VAL A 669 6.331 21.454 20.130 1.00 56.58 C ATOM 657 H VAL A 669 4.793 22.460 18.037 1.00 0.00 H ATOM 658 N ILE A 670 7.941 25.174 18.859 1.00 49.53 N ATOM 659 CA ILE A 670 9.226 25.541 18.248 1.00 51.28 C ATOM 660 C ILE A 670 10.329 25.217 19.250 1.00 49.70 C ATOM 661 O ILE A 670 10.270 25.666 20.404 1.00 51.61 O ATOM 662 CB ILE A 670 9.324 27.055 17.885 1.00 55.17 C ATOM 663 CG1 ILE A 670 8.037 27.592 17.227 1.00 57.62 C ATOM 664 CG2 ILE A 670 10.522 27.316 16.978 1.00 52.41 C ATOM 665 CD1 ILE A 670 7.677 26.951 15.907 1.00 59.85 C ATOM 666 H ILE A 670 7.490 25.849 19.510 1.00 0.00 H ATOM 667 N LEU A 671 11.331 24.455 18.802 1.00 46.57 N ATOM 668 CA LEU A 671 12.454 24.008 19.638 1.00 41.97 C ATOM 669 C LEU A 671 13.779 24.325 18.933 1.00 41.37 C ATOM 670 O LEU A 671 13.789 24.543 17.722 1.00 41.83 O ATOM 671 CB LEU A 671 12.337 22.506 19.871 1.00 44.69 C ATOM 672 CG LEU A 671 11.016 21.998 20.458 1.00 46.90 C ATOM 673 CD1 LEU A 671 10.953 20.480 20.399 1.00 48.59 C ATOM 674 CD2 LEU A 671 10.838 22.492 21.883 1.00 47.81 C ATOM 675 H LEU A 671 11.315 24.161 17.804 1.00 0.00 H ATOM 676 N PRO A 672 14.906 24.337 19.673 1.00 42.50 N ATOM 677 CA PRO A 672 16.204 24.582 19.026 1.00 43.62 C ATOM 678 C PRO A 672 16.624 23.442 18.099 1.00 45.52 C ATOM 679 O PRO A 672 16.354 22.282 18.399 1.00 47.45 O ATOM 680 CB PRO A 672 17.191 24.668 20.204 1.00 40.72 C ATOM 681 CG PRO A 672 16.367 24.679 21.442 1.00 41.10 C ATOM 682 CD PRO A 672 15.067 24.035 21.103 1.00 42.68 C ATOM 683 N PHE A 673 17.297 23.780 17.002 1.00 46.85 N ATOM 684 CA PHE A 673 17.833 22.785 16.077 1.00 46.98 C ATOM 685 C PHE A 673 19.053 22.059 16.650 1.00 50.87 C ATOM 686 O PHE A 673 20.069 22.679 16.970 1.00 51.41 O ATOM 687 CB PHE A 673 18.209 23.432 14.751 1.00 44.95 C ATOM 688 CG PHE A 673 18.532 22.445 13.665 1.00 48.01 C ATOM 689 CD1 PHE A 673 17.507 21.833 12.941 1.00 45.56 C ATOM 690 CD2 PHE A 673 19.856 22.134 13.346 1.00 46.57 C ATOM 691 CE1 PHE A 673 17.798 20.931 11.928 1.00 44.11 C ATOM 692 CE2 PHE A 673 20.146 21.231 12.332 1.00 42.21 C ATOM 693 CZ PHE A 673 19.121 20.626 11.626 1.00 42.95 C ATOM 694 H PHE A 673 17.447 24.788 16.796 1.00 0.00 H ATOM 695 N MET A 674 18.930 20.738 16.739 1.00 52.36 N ATOM 696 CA MET A 674 19.968 19.840 17.219 1.00 55.33 C ATOM 697 C MET A 674 20.618 19.175 16.005 1.00 54.73 C ATOM 698 O MET A 674 20.048 18.236 15.441 1.00 54.68 O ATOM 699 CB MET A 674 19.323 18.781 18.117 1.00 59.02 C ATOM 700 CG MET A 674 18.550 19.339 19.296 1.00 58.30 C ATOM 701 SD MET A 674 19.645 20.015 20.555 1.00 65.26 S ATOM 702 CE MET A 674 19.798 21.721 20.016 1.00 76.90 C ATOM 703 H MET A 674 18.026 20.317 16.444 1.00 0.00 H ATOM 704 N LYS A 675 21.801 19.643 15.603 1.00 55.48 N ATOM 705 CA LYS A 675 22.332 19.292 14.267 1.00 63.68 C ATOM 706 C LYS A 675 22.796 17.847 14.111 1.00 63.63 C ATOM 707 O LYS A 675 22.799 17.331 12.991 1.00 72.19 O ATOM 708 CB LYS A 675 23.392 20.303 13.758 1.00 65.46 C ATOM 709 CG LYS A 675 24.835 19.835 13.565 1.00 63.42 C ATOM 710 CD LYS A 675 25.665 20.986 13.007 1.00 69.56 C ATOM 711 CE LYS A 675 27.055 20.563 12.553 1.00 74.73 C ATOM 712 NZ LYS A 675 28.070 20.611 13.640 1.00 81.65 N ATOM 713 HZ1 LYS A 675 28.141 21.583 14.004 1.00 0.00 H ATOM 714 HZ2 LYS A 675 27.783 19.972 14.409 1.00 0.00 H ATOM 715 HZ3 LYS A 675 28.993 20.312 13.265 1.00 0.00 H ATOM 716 H LYS A 675 22.354 20.259 16.233 1.00 0.00 H ATOM 717 N TYR A 676 23.174 17.199 15.210 1.00 66.54 N ATOM 718 CA TYR A 676 23.517 15.766 15.170 1.00 62.22 C ATOM 719 C TYR A 676 22.358 14.824 15.508 1.00 56.60 C ATOM 720 O TYR A 676 22.541 13.608 15.505 1.00 71.42 O ATOM 721 CB TYR A 676 24.695 15.488 16.083 1.00 61.13 C ATOM 722 CG TYR A 676 25.935 16.265 15.726 1.00 61.38 C ATOM 723 CD1 TYR A 676 26.565 16.086 14.496 1.00 61.40 C ATOM 724 CD2 TYR A 676 26.496 17.163 16.625 1.00 61.33 C ATOM 725 CE1 TYR A 676 27.712 16.792 14.170 1.00 63.94 C ATOM 726 CE2 TYR A 676 27.639 17.870 16.307 1.00 62.31 C ATOM 727 CZ TYR A 676 28.245 17.676 15.085 1.00 65.41 C ATOM 728 OH TYR A 676 29.387 18.373 14.790 1.00 78.08 O ATOM 729 HH TYR A 676 29.698 18.126 13.883 1.00 0.00 H ATOM 730 H TYR A 676 23.228 17.712 16.113 1.00 0.00 H ATOM 731 N GLY A 677 21.181 15.373 15.798 1.00 51.14 N ATOM 732 CA GLY A 677 19.975 14.574 15.981 1.00 49.39 C ATOM 733 C GLY A 677 19.947 13.836 17.302 1.00 46.73 C ATOM 734 O GLY A 677 20.633 14.214 18.246 1.00 43.49 O ATOM 735 H GLY A 677 21.119 16.406 15.897 1.00 0.00 H ATOM 736 N ASP A 678 19.152 12.770 17.362 1.00 48.30 N ATOM 737 CA ASP A 678 19.052 11.964 18.578 1.00 48.06 C ATOM 738 C ASP A 678 20.358 11.209 18.831 1.00 48.76 C ATOM 739 O ASP A 678 21.121 10.937 17.897 1.00 50.65 O ATOM 740 CB ASP A 678 17.875 10.990 18.519 1.00 51.00 C ATOM 741 CG ASP A 678 18.058 9.904 17.474 1.00 60.80 C ATOM 742 OD1 ASP A 678 17.703 10.136 16.297 1.00 63.27 O ATOM 743 OD2 ASP A 678 18.550 8.815 17.839 1.00 67.98 O ATOM 744 H ASP A 678 18.591 12.505 16.527 1.00 0.00 H ATOM 745 N LEU A 679 20.600 10.876 20.097 1.00 46.30 N ATOM 746 CA LEU A 679 21.858 10.270 20.514 1.00 44.29 C ATOM 747 C LEU A 679 21.978 8.823 20.043 1.00 47.83 C ATOM 748 O LEU A 679 23.049 8.403 19.601 1.00 42.20 O ATOM 749 CB LEU A 679 22.008 10.341 22.032 1.00 43.63 C ATOM 750 CG LEU A 679 23.325 9.843 22.639 1.00 45.20 C ATOM 751 CD1 LEU A 679 24.530 10.583 22.072 1.00 46.73 C ATOM 752 CD2 LEU A 679 23.280 9.974 24.153 1.00 44.39 C ATOM 753 H LEU A 679 19.867 11.054 20.813 1.00 0.00 H ATOM 754 N HIS A 680 20.876 8.075 20.132 1.00 55.14 N ATOM 755 CA HIS A 680 20.827 6.664 19.713 1.00 53.31 C ATOM 756 C HIS A 680 21.340 6.477 18.286 1.00 50.46 C ATOM 757 O HIS A 680 22.245 5.685 18.048 1.00 50.09 O ATOM 758 CB HIS A 680 19.395 6.136 19.830 1.00 56.07 C ATOM 759 CG HIS A 680 19.231 4.704 19.433 1.00 62.27 C ATOM 760 ND1 HIS A 680 19.276 3.669 20.341 1.00 68.47 N ATOM 761 CD2 HIS A 680 18.981 4.139 18.229 1.00 64.03 C ATOM 762 CE1 HIS A 680 19.078 2.525 19.712 1.00 67.83 C ATOM 763 NE2 HIS A 680 18.901 2.783 18.429 1.00 72.73 N ATOM 764 H HIS A 680 20.012 8.509 20.515 1.00 0.00 H ATOM 765 N THR A 681 20.775 7.240 17.357 1.00 48.19 N ATOM 766 CA THR A 681 21.165 7.182 15.949 1.00 46.58 C ATOM 767 C THR A 681 22.599 7.669 15.711 1.00 45.86 C ATOM 768 O THR A 681 23.290 7.141 14.838 1.00 52.41 O ATOM 769 CB THR A 681 20.189 7.997 15.081 1.00 45.59 C ATOM 770 OG1 THR A 681 18.854 7.534 15.320 1.00 46.42 O ATOM 771 CG2 THR A 681 20.510 7.851 13.599 1.00 45.74 C ATOM 772 HG1 THR A 681 18.631 7.654 16.277 1.00 0.00 H ATOM 773 H THR A 681 20.027 7.904 17.642 1.00 0.00 H ATOM 774 N TYR A 682 23.041 8.665 16.479 1.00 44.04 N ATOM 775 CA TYR A 682 24.425 9.137 16.405 1.00 45.07 C ATOM 776 C TYR A 682 25.405 8.040 16.833 1.00 45.92 C ATOM 777 O TYR A 682 26.477 7.898 16.234 1.00 43.98 O ATOM 778 CB TYR A 682 24.629 10.388 17.268 1.00 46.87 C ATOM 779 CG TYR A 682 26.032 10.970 17.208 1.00 47.17 C ATOM 780 CD1 TYR A 682 26.396 11.871 16.205 1.00 46.32 C ATOM 781 CD2 TYR A 682 26.989 10.633 18.167 1.00 45.00 C ATOM 782 CE1 TYR A 682 27.672 12.408 16.155 1.00 45.58 C ATOM 783 CE2 TYR A 682 28.266 11.165 18.126 1.00 45.67 C ATOM 784 CZ TYR A 682 28.608 12.047 17.117 1.00 49.07 C ATOM 785 OH TYR A 682 29.886 12.571 17.075 1.00 60.23 O ATOM 786 HH TYR A 682 29.967 13.180 16.298 1.00 0.00 H ATOM 787 H TYR A 682 22.386 9.118 17.148 1.00 0.00 H ATOM 788 N LEU A 683 25.042 7.281 17.868 1.00 43.98 N ATOM 789 CA LEU A 683 25.866 6.162 18.322 1.00 44.34 C ATOM 790 C LEU A 683 25.956 5.066 17.258 1.00 47.28 C ATOM 791 O LEU A 683 27.033 4.495 17.038 1.00 45.36 O ATOM 792 CB LEU A 683 25.326 5.576 19.632 1.00 45.42 C ATOM 793 CG LEU A 683 25.381 6.474 20.869 1.00 45.83 C ATOM 794 CD1 LEU A 683 24.449 5.914 21.933 1.00 49.87 C ATOM 795 CD2 LEU A 683 26.797 6.631 21.410 1.00 41.17 C ATOM 796 H LEU A 683 24.152 7.490 18.364 1.00 0.00 H ATOM 797 N LEU A 684 24.835 4.777 16.597 1.00 44.10 N ATOM 798 CA LEU A 684 24.821 3.770 15.543 1.00 46.12 C ATOM 799 C LEU A 684 25.779 4.179 14.426 1.00 46.70 C ATOM 800 O LEU A 684 26.660 3.401 14.059 1.00 50.71 O ATOM 801 CB LEU A 684 23.400 3.543 15.002 1.00 46.48 C ATOM 802 CG LEU A 684 22.363 2.971 15.977 1.00 44.51 C ATOM 803 CD1 LEU A 684 21.015 2.816 15.300 1.00 44.76 C ATOM 804 CD2 LEU A 684 22.805 1.647 16.576 1.00 45.67 C ATOM 805 H LEU A 684 23.956 5.278 16.837 1.00 0.00 H ATOM 806 N TYR A 685 25.644 5.409 13.930 1.00 48.08 N ATOM 807 CA TYR A 685 26.551 5.932 12.896 1.00 50.15 C ATOM 808 C TYR A 685 28.028 5.893 13.287 1.00 47.74 C ATOM 809 O TYR A 685 28.874 5.709 12.425 1.00 52.24 O ATOM 810 CB TYR A 685 26.200 7.375 12.509 1.00 55.10 C ATOM 811 CG TYR A 685 24.890 7.587 11.768 1.00 65.67 C ATOM 812 CD1 TYR A 685 24.376 6.627 10.889 1.00 67.54 C ATOM 813 CD2 TYR A 685 24.185 8.791 11.910 1.00 72.45 C ATOM 814 CE1 TYR A 685 23.191 6.847 10.206 1.00 73.68 C ATOM 815 CE2 TYR A 685 22.997 9.021 11.223 1.00 73.50 C ATOM 816 CZ TYR A 685 22.501 8.046 10.373 1.00 78.23 C ATOM 817 OH TYR A 685 21.326 8.263 9.686 1.00 70.82 O ATOM 818 HH TYR A 685 20.591 8.415 10.331 1.00 0.00 H ATOM 819 H TYR A 685 24.877 6.016 14.283 1.00 0.00 H ATOM 820 N SER A 686 28.340 6.058 14.571 1.00 50.00 N ATOM 821 CA SER A 686 29.737 6.037 15.036 1.00 54.71 C ATOM 822 C SER A 686 30.459 4.708 14.775 1.00 58.40 C ATOM 823 O SER A 686 31.688 4.680 14.698 1.00 57.08 O ATOM 824 CB SER A 686 29.834 6.407 16.525 1.00 54.35 C ATOM 825 OG SER A 686 29.495 5.321 17.372 1.00 57.71 O ATOM 826 HG SER A 686 28.565 5.037 17.186 1.00 0.00 H ATOM 827 H SER A 686 27.578 6.205 15.263 1.00 0.00 H ATOM 828 N ARG A 687 29.695 3.621 14.655 1.00 64.27 N ATOM 829 CA ARG A 687 30.241 2.306 14.289 1.00 65.49 C ATOM 830 C ARG A 687 30.445 2.080 12.775 1.00 62.86 C ATOM 831 O ARG A 687 30.965 1.041 12.379 1.00 69.42 O ATOM 832 CB ARG A 687 29.369 1.195 14.896 1.00 64.10 C ATOM 833 CG ARG A 687 29.329 1.256 16.420 1.00 65.83 C ATOM 834 CD ARG A 687 28.978 -0.063 17.107 1.00 63.12 C ATOM 835 NE ARG A 687 27.564 -0.125 17.489 1.00 63.65 N ATOM 836 CZ ARG A 687 26.727 -1.144 17.271 1.00 71.08 C ATOM 837 NH1 ARG A 687 25.456 -1.044 17.677 1.00 67.54 N ATOM 838 NH2 ARG A 687 27.132 -2.268 16.672 1.00 74.06 N ATOM 839 HE ARG A 687 27.174 0.706 17.978 1.00 0.00 H ATOM 840 HH12 ARG A 687 24.795 -1.830 17.513 1.00 0.00 H ATOM 841 HH11 ARG A 687 25.130 -0.181 18.156 1.00 0.00 H ATOM 842 HH22 ARG A 687 26.459 -3.045 16.515 1.00 0.00 H ATOM 843 HH21 ARG A 687 28.120 -2.365 16.363 1.00 0.00 H ATOM 844 H ARG A 687 28.673 3.707 14.827 1.00 0.00 H ATOM 845 N LEU A 688 30.050 3.039 11.939 1.00 63.57 N ATOM 846 CA LEU A 688 30.250 2.963 10.487 1.00 68.32 C ATOM 847 C LEU A 688 31.294 4.023 10.061 1.00 78.40 C ATOM 848 O LEU A 688 32.135 4.405 10.883 1.00 75.36 O ATOM 849 CB LEU A 688 28.894 3.099 9.775 1.00 64.02 C ATOM 850 CG LEU A 688 27.784 2.167 10.300 1.00 63.93 C ATOM 851 CD1 LEU A 688 26.441 2.433 9.631 1.00 64.33 C ATOM 852 CD2 LEU A 688 28.165 0.702 10.137 1.00 61.58 C ATOM 853 H LEU A 688 29.579 3.879 12.333 1.00 0.00 H ATOM 854 N GLU A 689 31.277 4.467 8.799 1.00 95.04 N ATOM 855 CA GLU A 689 32.310 5.378 8.272 1.00109.36 C ATOM 856 C GLU A 689 31.731 6.472 7.370 1.00118.86 C ATOM 857 O GLU A 689 31.740 6.341 6.145 1.00125.45 O ATOM 858 CB GLU A 689 33.376 4.583 7.493 1.00111.82 C ATOM 859 CG GLU A 689 34.188 3.582 8.311 1.00113.89 C ATOM 860 CD GLU A 689 35.017 4.217 9.411 1.00111.76 C ATOM 861 OE1 GLU A 689 35.442 5.383 9.259 1.00110.26 O ATOM 862 OE2 GLU A 689 35.247 3.538 10.433 1.00113.44 O ATOM 863 H GLU A 689 30.509 4.159 8.168 1.00 0.00 H ATOM 864 N THR A 690 31.236 7.547 7.985 1.00134.09 N ATOM 865 CA THR A 690 30.809 8.753 7.257 1.00143.26 C ATOM 866 C THR A 690 30.984 10.032 8.094 1.00150.71 C ATOM 867 O THR A 690 31.909 10.811 7.848 1.00158.05 O ATOM 868 CB THR A 690 29.342 8.657 6.757 1.00144.68 C ATOM 869 OG1 THR A 690 28.529 8.032 7.758 1.00160.78 O ATOM 870 CG2 THR A 690 29.237 7.864 5.448 1.00132.18 C ATOM 871 HG1 THR A 690 27.595 7.974 7.434 1.00 0.00 H ATOM 872 H THR A 690 31.148 7.533 9.021 1.00 0.00 H ATOM 873 N GLY A 691 30.111 10.236 9.082 1.00149.00 N ATOM 874 CA GLY A 691 30.036 11.509 9.809 1.00147.66 C ATOM 875 C GLY A 691 31.042 11.646 10.943 1.00143.63 C ATOM 876 O GLY A 691 32.010 12.402 10.813 1.00126.96 O ATOM 877 H GLY A 691 29.462 9.467 9.346 1.00 0.00 H ATOM 878 N PRO A 692 30.813 10.933 12.070 1.00144.04 N ATOM 879 CA PRO A 692 31.727 10.975 13.213 1.00138.35 C ATOM 880 C PRO A 692 32.776 9.862 13.182 1.00131.45 C ATOM 881 O PRO A 692 32.565 8.827 12.543 1.00127.28 O ATOM 882 CB PRO A 692 30.785 10.780 14.399 1.00134.71 C ATOM 883 CG PRO A 692 29.713 9.887 13.866 1.00136.26 C ATOM 884 CD PRO A 692 29.628 10.105 12.374 1.00138.03 C ATOM 885 N LYS A 693 33.886 10.081 13.887 1.00122.60 N ATOM 886 CA LYS A 693 34.978 9.102 13.976 1.00117.57 C ATOM 887 C LYS A 693 34.676 8.128 15.126 1.00110.11 C ATOM 888 O LYS A 693 33.569 8.146 15.681 1.00 90.08 O ATOM 889 CB LYS A 693 36.336 9.813 14.175 1.00119.23 C ATOM 890 CG LYS A 693 37.442 9.321 13.243 1.00127.97 C ATOM 891 CD LYS A 693 38.827 9.841 13.630 1.00128.93 C ATOM 892 CE LYS A 693 39.732 8.767 14.229 1.00127.62 C ATOM 893 NZ LYS A 693 39.345 8.345 15.604 1.00125.80 N ATOM 894 HZ1 LYS A 693 39.381 9.167 16.240 1.00 0.00 H ATOM 895 HZ2 LYS A 693 38.379 7.959 15.588 1.00 0.00 H ATOM 896 HZ3 LYS A 693 40.006 7.616 15.940 1.00 0.00 H ATOM 897 H LYS A 693 33.983 10.983 14.396 1.00 0.00 H ATOM 898 N HIS A 694 35.640 7.265 15.459 1.00110.56 N ATOM 899 CA HIS A 694 35.557 6.427 16.662 1.00105.47 C ATOM 900 C HIS A 694 35.465 7.294 17.922 1.00 96.92 C ATOM 901 O HIS A 694 36.364 8.088 18.209 1.00 88.08 O ATOM 902 CB HIS A 694 36.761 5.486 16.775 1.00109.61 C ATOM 903 CG HIS A 694 36.816 4.732 18.069 1.00119.87 C ATOM 904 ND1 HIS A 694 35.930 3.722 18.379 1.00124.11 N ATOM 905 CD2 HIS A 694 37.641 4.849 19.137 1.00121.20 C ATOM 906 CE1 HIS A 694 36.211 3.245 19.580 1.00121.84 C ATOM 907 NE2 HIS A 694 37.245 3.912 20.061 1.00122.53 N ATOM 908 H HIS A 694 36.476 7.184 14.846 1.00 0.00 H ATOM 909 N ILE A 695 34.371 7.119 18.659 1.00 84.95 N ATOM 910 CA ILE A 695 34.096 7.875 19.876 1.00 76.59 C ATOM 911 C ILE A 695 34.808 7.171 21.028 1.00 69.85 C ATOM 912 O ILE A 695 34.487 6.018 21.322 1.00 72.31 O ATOM 913 CB ILE A 695 32.575 7.923 20.154 1.00 78.55 C ATOM 914 CG1 ILE A 695 31.862 8.743 19.100 1.00 78.63 C ATOM 915 CG2 ILE A 695 32.243 8.537 21.499 1.00 84.30 C ATOM 916 CD1 ILE A 695 30.376 8.506 19.070 1.00 83.02 C ATOM 917 H ILE A 695 33.677 6.408 18.352 1.00 0.00 H ATOM 918 N PRO A 696 35.766 7.855 21.691 1.00 68.19 N ATOM 919 CA PRO A 696 36.453 7.232 22.836 1.00 68.79 C ATOM 920 C PRO A 696 35.601 7.180 24.108 1.00 73.03 C ATOM 921 O PRO A 696 34.518 7.772 24.165 1.00 75.94 O ATOM 922 CB PRO A 696 37.671 8.128 23.043 1.00 65.63 C ATOM 923 CG PRO A 696 37.238 9.462 22.543 1.00 67.65 C ATOM 924 CD PRO A 696 36.272 9.215 21.424 1.00 64.05 C ATOM 925 N LEU A 697 36.108 6.477 25.116 1.00 72.97 N ATOM 926 CA LEU A 697 35.387 6.268 26.377 1.00 73.74 C ATOM 927 C LEU A 697 35.022 7.569 27.109 1.00 74.42 C ATOM 928 O LEU A 697 33.948 7.657 27.705 1.00 82.02 O ATOM 929 CB LEU A 697 36.207 5.355 27.303 1.00 74.43 C ATOM 930 CG LEU A 697 35.636 4.991 28.680 1.00 71.62 C ATOM 931 CD1 LEU A 697 34.259 4.355 28.573 1.00 72.31 C ATOM 932 CD2 LEU A 697 36.597 4.065 29.405 1.00 71.28 C ATOM 933 H LEU A 697 37.054 6.058 25.007 1.00 0.00 H ATOM 934 N GLN A 698 35.908 8.565 27.054 1.00 72.69 N ATOM 935 CA GLN A 698 35.714 9.830 27.779 1.00 74.95 C ATOM 936 C GLN A 698 34.549 10.632 27.181 1.00 71.28 C ATOM 937 O GLN A 698 33.805 11.295 27.909 1.00 72.30 O ATOM 938 CB GLN A 698 37.008 10.681 27.838 1.00 81.42 C ATOM 939 CG GLN A 698 37.738 10.924 26.527 1.00 90.97 C ATOM 940 CD GLN A 698 38.776 9.861 26.178 1.00102.24 C ATOM 941 OE1 GLN A 698 38.803 8.771 26.761 1.00104.94 O ATOM 942 NE2 GLN A 698 39.613 10.165 25.194 1.00105.97 N ATOM 943 HE22 GLN A 698 39.555 11.094 24.731 1.00 0.00 H ATOM 944 HE21 GLN A 698 40.327 9.474 24.886 1.00 0.00 H ATOM 945 H GLN A 698 36.766 8.443 26.479 1.00 0.00 H ATOM 946 N THR A 699 34.387 10.549 25.862 1.00 65.65 N ATOM 947 CA THR A 699 33.293 11.222 25.163 1.00 62.35 C ATOM 948 C THR A 699 31.934 10.576 25.475 1.00 60.34 C ATOM 949 O THR A 699 30.924 11.275 25.587 1.00 59.53 O ATOM 950 CB THR A 699 33.546 11.237 23.640 1.00 61.22 C ATOM 951 OG1 THR A 699 34.806 11.866 23.372 1.00 55.13 O ATOM 952 CG2 THR A 699 32.444 11.994 22.892 1.00 60.35 C ATOM 953 HG1 THR A 699 34.968 11.875 22.395 1.00 0.00 H ATOM 954 H THR A 699 35.063 9.985 25.309 1.00 0.00 H ATOM 955 N LEU A 700 31.916 9.251 25.606 1.00 63.49 N ATOM 956 CA LEU A 700 30.707 8.524 26.014 1.00 58.32 C ATOM 957 C LEU A 700 30.302 8.864 27.442 1.00 56.45 C ATOM 958 O LEU A 700 29.116 8.998 27.729 1.00 54.78 O ATOM 959 CB LEU A 700 30.907 7.008 25.891 1.00 58.29 C ATOM 960 CG LEU A 700 31.167 6.412 24.505 1.00 56.63 C ATOM 961 CD1 LEU A 700 31.412 4.913 24.615 1.00 58.03 C ATOM 962 CD2 LEU A 700 30.018 6.684 23.549 1.00 57.63 C ATOM 963 H LEU A 700 32.786 8.714 25.413 1.00 0.00 H ATOM 964 N LEU A 701 31.286 8.978 28.334 1.00 62.11 N ATOM 965 CA LEU A 701 31.040 9.405 29.719 1.00 63.05 C ATOM 966 C LEU A 701 30.505 10.830 29.796 1.00 56.37 C ATOM 967 O LEU A 701 29.636 11.113 30.616 1.00 54.52 O ATOM 968 CB LEU A 701 32.308 9.293 30.569 1.00 67.71 C ATOM 969 CG LEU A 701 32.715 7.873 30.965 1.00 71.20 C ATOM 970 CD1 LEU A 701 34.152 7.852 31.457 1.00 75.39 C ATOM 971 CD2 LEU A 701 31.783 7.310 32.032 1.00 76.85 C ATOM 972 H LEU A 701 32.259 8.758 28.041 1.00 0.00 H ATOM 973 N LYS A 702 31.016 11.715 28.942 1.00 53.98 N ATOM 974 CA LYS A 702 30.517 13.089 28.872 1.00 53.87 C ATOM 975 C LYS A 702 29.028 13.127 28.496 1.00 49.29 C ATOM 976 O LYS A 702 28.266 13.883 29.099 1.00 49.64 O ATOM 977 CB LYS A 702 31.348 13.929 27.895 1.00 58.18 C ATOM 978 CG LYS A 702 31.080 15.433 27.945 1.00 69.21 C ATOM 979 CD LYS A 702 31.514 16.057 29.267 1.00 75.82 C ATOM 980 CE LYS A 702 31.395 17.574 29.252 1.00 79.44 C ATOM 981 NZ LYS A 702 29.983 18.039 29.314 1.00 80.45 N ATOM 982 HZ1 LYS A 702 29.461 17.669 28.494 1.00 0.00 H ATOM 983 HZ2 LYS A 702 29.543 17.693 30.191 1.00 0.00 H ATOM 984 HZ3 LYS A 702 29.961 19.079 29.301 1.00 0.00 H ATOM 985 H LYS A 702 31.788 11.423 28.310 1.00 0.00 H ATOM 986 N PHE A 703 28.623 12.299 27.528 1.00 45.52 N ATOM 987 CA PHE A 703 27.205 12.133 27.188 1.00 43.16 C ATOM 988 C PHE A 703 26.394 11.679 28.392 1.00 44.24 C ATOM 989 O PHE A 703 25.296 12.186 28.625 1.00 44.28 O ATOM 990 CB PHE A 703 26.994 11.108 26.068 1.00 46.90 C ATOM 991 CG PHE A 703 27.686 11.434 24.767 1.00 50.26 C ATOM 992 CD1 PHE A 703 27.982 12.744 24.400 1.00 52.57 C ATOM 993 CD2 PHE A 703 28.000 10.408 23.876 1.00 48.51 C ATOM 994 CE1 PHE A 703 28.598 13.012 23.192 1.00 53.34 C ATOM 995 CE2 PHE A 703 28.613 10.680 22.666 1.00 48.48 C ATOM 996 CZ PHE A 703 28.910 11.982 22.326 1.00 50.52 C ATOM 997 H PHE A 703 29.335 11.756 26.999 1.00 0.00 H ATOM 998 N MET A 704 26.936 10.724 29.147 1.00 44.14 N ATOM 999 CA MET A 704 26.298 10.256 30.378 1.00 45.42 C ATOM 1000 C MET A 704 26.232 11.350 31.435 1.00 44.06 C ATOM 1001 O MET A 704 25.202 11.499 32.096 1.00 43.42 O ATOM 1002 CB MET A 704 27.024 9.039 30.959 1.00 48.32 C ATOM 1003 CG MET A 704 26.873 7.767 30.145 1.00 47.64 C ATOM 1004 SD MET A 704 27.900 6.440 30.800 1.00 48.02 S ATOM 1005 CE MET A 704 28.059 5.390 29.355 1.00 45.06 C ATOM 1006 H MET A 704 27.838 10.299 28.853 1.00 0.00 H ATOM 1007 N VAL A 705 27.320 12.110 31.585 1.00 44.49 N ATOM 1008 CA VAL A 705 27.368 13.213 32.556 1.00 43.72 C ATOM 1009 C VAL A 705 26.368 14.293 32.164 1.00 42.23 C ATOM 1010 O VAL A 705 25.611 14.748 33.016 1.00 43.11 O ATOM 1011 CB VAL A 705 28.786 13.814 32.711 1.00 42.33 C ATOM 1012 CG1 VAL A 705 28.758 15.088 33.550 1.00 43.78 C ATOM 1013 CG2 VAL A 705 29.719 12.807 33.365 1.00 43.55 C ATOM 1014 H VAL A 705 28.157 11.916 30.999 1.00 0.00 H ATOM 1015 N ASP A 706 26.365 14.687 30.889 1.00 42.90 N ATOM 1016 CA ASP A 706 25.389 15.658 30.358 1.00 46.15 C ATOM 1017 C ASP A 706 23.957 15.281 30.713 1.00 43.93 C ATOM 1018 O ASP A 706 23.221 16.095 31.275 1.00 46.92 O ATOM 1019 CB ASP A 706 25.495 15.789 28.831 1.00 53.23 C ATOM 1020 CG ASP A 706 26.643 16.699 28.375 1.00 60.59 C ATOM 1021 OD1 ASP A 706 27.191 17.468 29.193 1.00 66.18 O ATOM 1022 OD2 ASP A 706 26.984 16.651 27.165 1.00 66.28 O ATOM 1023 H ASP A 706 27.079 14.294 30.244 1.00 0.00 H ATOM 1024 N ILE A 707 23.588 14.038 30.422 1.00 41.24 N ATOM 1025 CA ILE A 707 22.241 13.529 30.718 1.00 42.19 C ATOM 1026 C ILE A 707 21.960 13.544 32.231 1.00 44.92 C ATOM 1027 O ILE A 707 20.877 13.959 32.669 1.00 46.77 O ATOM 1028 CB ILE A 707 22.036 12.110 30.128 1.00 41.54 C ATOM 1029 CG1 ILE A 707 22.088 12.159 28.597 1.00 43.12 C ATOM 1030 CG2 ILE A 707 20.701 11.512 30.553 1.00 40.63 C ATOM 1031 CD1 ILE A 707 22.484 10.849 27.958 1.00 45.37 C ATOM 1032 H ILE A 707 24.276 13.403 29.969 1.00 0.00 H ATOM 1033 N ALA A 708 22.942 13.112 33.021 1.00 44.97 N ATOM 1034 CA ALA A 708 22.843 13.154 34.483 1.00 48.10 C ATOM 1035 C ALA A 708 22.597 14.572 35.015 1.00 48.88 C ATOM 1036 O ALA A 708 21.760 14.762 35.898 1.00 55.02 O ATOM 1037 CB ALA A 708 24.097 12.564 35.120 1.00 48.06 C ATOM 1038 H ALA A 708 23.807 12.733 32.586 1.00 0.00 H ATOM 1039 N LEU A 709 23.326 15.554 34.479 1.00 45.93 N ATOM 1040 CA LEU A 709 23.110 16.966 34.825 1.00 45.37 C ATOM 1041 C LEU A 709 21.691 17.414 34.472 1.00 47.69 C ATOM 1042 O LEU A 709 20.983 17.993 35.306 1.00 48.15 O ATOM 1043 CB LEU A 709 24.141 17.865 34.134 1.00 43.20 C ATOM 1044 CG LEU A 709 25.548 17.779 34.732 1.00 45.19 C ATOM 1045 CD1 LEU A 709 26.611 18.275 33.759 1.00 44.70 C ATOM 1046 CD2 LEU A 709 25.615 18.556 36.038 1.00 46.22 C ATOM 1047 H LEU A 709 24.071 15.312 33.795 1.00 0.00 H ATOM 1048 N GLY A 710 21.281 17.122 33.240 1.00 49.50 N ATOM 1049 CA GLY A 710 19.917 17.387 32.790 1.00 50.05 C ATOM 1050 C GLY A 710 18.861 16.806 33.711 1.00 48.91 C ATOM 1051 O GLY A 710 17.877 17.477 34.049 1.00 46.47 O ATOM 1052 H GLY A 710 21.955 16.691 32.575 1.00 0.00 H ATOM 1053 N MET A 711 19.068 15.554 34.111 1.00 48.44 N ATOM 1054 CA MET A 711 18.128 14.866 34.990 1.00 50.43 C ATOM 1055 C MET A 711 18.219 15.352 36.428 1.00 49.24 C ATOM 1056 O MET A 711 17.196 15.401 37.109 1.00 47.15 O ATOM 1057 CB MET A 711 18.315 13.344 34.919 1.00 51.84 C ATOM 1058 CG MET A 711 17.860 12.724 33.603 1.00 53.29 C ATOM 1059 SD MET A 711 16.160 13.117 33.122 1.00 51.30 S ATOM 1060 CE MET A 711 15.250 12.419 34.490 1.00 51.87 C ATOM 1061 H MET A 711 19.921 15.053 33.789 1.00 0.00 H ATOM 1062 N GLU A 712 19.422 15.709 36.885 1.00 47.77 N ATOM 1063 CA GLU A 712 19.607 16.280 38.225 1.00 46.90 C ATOM 1064 C GLU A 712 18.732 17.513 38.388 1.00 46.00 C ATOM 1065 O GLU A 712 18.011 17.630 39.377 1.00 39.21 O ATOM 1066 CB GLU A 712 21.073 16.649 38.474 1.00 49.09 C ATOM 1067 CG GLU A 712 21.361 17.197 39.873 1.00 47.49 C ATOM 1068 CD GLU A 712 22.832 17.533 40.105 1.00 49.40 C ATOM 1069 OE1 GLU A 712 23.573 17.838 39.136 1.00 46.19 O ATOM 1070 OE2 GLU A 712 23.258 17.509 41.279 1.00 52.52 O ATOM 1071 H GLU A 712 20.253 15.579 36.273 1.00 0.00 H ATOM 1072 N TYR A 713 18.810 18.408 37.398 1.00 47.57 N ATOM 1073 CA TYR A 713 17.991 19.627 37.324 1.00 49.18 C ATOM 1074 C TYR A 713 16.488 19.347 37.366 1.00 50.16 C ATOM 1075 O TYR A 713 15.774 19.926 38.182 1.00 51.59 O ATOM 1076 CB TYR A 713 18.327 20.397 36.044 1.00 53.00 C ATOM 1077 CG TYR A 713 17.523 21.660 35.837 1.00 59.37 C ATOM 1078 CD1 TYR A 713 17.926 22.867 36.409 1.00 62.66 C ATOM 1079 CD2 TYR A 713 16.361 21.656 35.057 1.00 61.73 C ATOM 1080 CE1 TYR A 713 17.196 24.030 36.216 1.00 64.00 C ATOM 1081 CE2 TYR A 713 15.620 22.815 34.862 1.00 61.72 C ATOM 1082 CZ TYR A 713 16.043 23.996 35.443 1.00 64.12 C ATOM 1083 OH TYR A 713 15.320 25.148 35.255 1.00 75.15 O ATOM 1084 HH TYR A 713 15.759 25.894 35.736 1.00 0.00 H ATOM 1085 H TYR A 713 19.492 18.231 36.633 1.00 0.00 H ATOM 1086 N LEU A 714 16.018 18.477 36.475 1.00 52.12 N ATOM 1087 CA LEU A 714 14.598 18.097 36.430 1.00 52.72 C ATOM 1088 C LEU A 714 14.141 17.394 37.706 1.00 54.14 C ATOM 1089 O LEU A 714 12.998 17.559 38.133 1.00 55.76 O ATOM 1090 CB LEU A 714 14.321 17.196 35.230 1.00 55.30 C ATOM 1091 CG LEU A 714 14.426 17.863 33.857 1.00 59.62 C ATOM 1092 CD1 LEU A 714 14.577 16.826 32.750 1.00 61.76 C ATOM 1093 CD2 LEU A 714 13.214 18.743 33.590 1.00 58.48 C ATOM 1094 H LEU A 714 16.675 18.053 35.790 1.00 0.00 H ATOM 1095 N SER A 715 15.036 16.606 38.297 1.00 58.65 N ATOM 1096 CA SER A 715 14.760 15.888 39.545 1.00 59.55 C ATOM 1097 C SER A 715 14.568 16.845 40.734 1.00 61.01 C ATOM 1098 O SER A 715 13.715 16.596 41.593 1.00 56.42 O ATOM 1099 CB SER A 715 15.884 14.890 39.842 1.00 56.00 C ATOM 1100 OG SER A 715 15.497 13.960 40.829 1.00 65.86 O ATOM 1101 HG SER A 715 14.704 13.457 40.514 1.00 0.00 H ATOM 1102 H SER A 715 15.971 16.495 37.855 1.00 0.00 H ATOM 1103 N ASN A 716 15.339 17.938 40.765 1.00 62.08 N ATOM 1104 CA ASN A 716 15.186 18.967 41.805 1.00 61.84 C ATOM 1105 C ASN A 716 13.875 19.751 41.705 1.00 63.66 C ATOM 1106 O ASN A 716 13.326 20.160 42.722 1.00 64.87 O ATOM 1107 CB ASN A 716 16.362 19.954 41.827 1.00 60.92 C ATOM 1108 CG ASN A 716 17.699 19.279 42.106 1.00 60.43 C ATOM 1109 OD1 ASN A 716 17.750 18.229 42.737 1.00 57.88 O ATOM 1110 ND2 ASN A 716 18.789 19.890 41.647 1.00 64.14 N ATOM 1111 HD22 ASN A 716 18.702 20.780 41.116 1.00 0.00 H ATOM 1112 HD21 ASN A 716 19.728 19.477 41.820 1.00 0.00 H ATOM 1113 H ASN A 716 16.067 18.064 40.033 1.00 0.00 H ATOM 1114 N ARG A 717 13.379 19.944 40.483 1.00 71.19 N ATOM 1115 CA ARG A 717 12.042 20.520 40.248 1.00 66.38 C ATOM 1116 C ARG A 717 10.901 19.523 40.524 1.00 65.94 C ATOM 1117 O ARG A 717 9.737 19.866 40.321 1.00 64.96 O ATOM 1118 CB ARG A 717 11.928 21.057 38.801 1.00 71.75 C ATOM 1119 CG ARG A 717 12.447 22.475 38.583 1.00 79.67 C ATOM 1120 CD ARG A 717 13.864 22.662 39.099 1.00 84.00 C ATOM 1121 NE ARG A 717 14.396 23.998 38.846 1.00 90.56 N ATOM 1122 CZ ARG A 717 15.612 24.408 39.208 1.00 97.90 C ATOM 1123 NH1 ARG A 717 16.458 23.587 39.839 1.00 99.43 N ATOM 1124 NH2 ARG A 717 15.995 25.651 38.928 1.00107.63 N ATOM 1125 HE ARG A 717 13.784 24.677 38.349 1.00 0.00 H ATOM 1126 HH12 ARG A 717 17.403 23.925 40.114 1.00 0.00 H ATOM 1127 HH11 ARG A 717 16.171 22.611 40.055 1.00 0.00 H ATOM 1128 HH22 ARG A 717 16.942 25.979 39.207 1.00 0.00 H ATOM 1129 HH21 ARG A 717 15.348 26.295 38.430 1.00 0.00 H ATOM 1130 H ARG A 717 13.959 19.677 39.662 1.00 0.00 H ATOM 1131 N ASN A 718 11.229 18.307 40.983 1.00 70.58 N ATOM 1132 CA ASN A 718 10.273 17.200 41.145 1.00 72.60 C ATOM 1133 C ASN A 718 9.462 16.911 39.881 1.00 70.76 C ATOM 1134 O ASN A 718 8.265 16.606 39.943 1.00 65.12 O ATOM 1135 CB ASN A 718 9.370 17.428 42.368 1.00 71.72 C ATOM 1136 CG ASN A 718 10.147 17.434 43.672 1.00 69.18 C ATOM 1137 OD1 ASN A 718 11.133 16.711 43.826 1.00 67.52 O ATOM 1138 ND2 ASN A 718 9.706 18.250 44.620 1.00 71.63 N ATOM 1139 HD22 ASN A 718 8.869 18.843 44.448 1.00 0.00 H ATOM 1140 HD21 ASN A 718 10.197 18.297 45.536 1.00 0.00 H ATOM 1141 H ASN A 718 12.222 18.135 41.241 1.00 0.00 H ATOM 1142 N PHE A 719 10.149 16.999 38.740 1.00 71.68 N ATOM 1143 CA PHE A 719 9.564 16.731 37.443 1.00 77.17 C ATOM 1144 C PHE A 719 10.015 15.361 36.966 1.00 70.46 C ATOM 1145 O PHE A 719 11.214 15.088 36.920 1.00 76.07 O ATOM 1146 CB PHE A 719 9.980 17.795 36.427 1.00 84.09 C ATOM 1147 CG PHE A 719 9.129 17.789 35.198 1.00 97.90 C ATOM 1148 CD1 PHE A 719 9.414 16.923 34.143 1.00105.71 C ATOM 1149 CD2 PHE A 719 8.009 18.612 35.113 1.00 99.25 C ATOM 1150 CE1 PHE A 719 8.612 16.896 33.014 1.00109.19 C ATOM 1151 CE2 PHE A 719 7.206 18.590 33.988 1.00103.61 C ATOM 1152 CZ PHE A 719 7.507 17.728 32.937 1.00111.63 C ATOM 1153 H PHE A 719 11.151 17.273 38.785 1.00 0.00 H ATOM 1154 N LEU A 720 9.051 14.523 36.590 1.00 61.19 N ATOM 1155 CA LEU A 720 9.311 13.152 36.164 1.00 62.24 C ATOM 1156 C LEU A 720 9.270 13.077 34.639 1.00 60.43 C ATOM 1157 O LEU A 720 8.274 13.472 34.023 1.00 57.22 O ATOM 1158 CB LEU A 720 8.269 12.198 36.755 1.00 66.82 C ATOM 1159 CG LEU A 720 8.202 12.057 38.281 1.00 70.89 C ATOM 1160 CD1 LEU A 720 7.532 13.257 38.948 1.00 81.96 C ATOM 1161 CD2 LEU A 720 7.469 10.775 38.646 1.00 71.45 C ATOM 1162 H LEU A 720 8.068 14.861 36.600 1.00 0.00 H ATOM 1163 N HIS A 721 10.350 12.572 34.042 1.00 55.74 N ATOM 1164 CA HIS A 721 10.488 12.479 32.579 1.00 53.91 C ATOM 1165 C HIS A 721 9.523 11.440 31.981 1.00 53.63 C ATOM 1166 O HIS A 721 8.812 11.736 31.025 1.00 48.25 O ATOM 1167 CB HIS A 721 11.935 12.126 32.210 1.00 52.92 C ATOM 1168 CG HIS A 721 12.294 12.412 30.785 1.00 52.64 C ATOM 1169 ND1 HIS A 721 13.273 13.318 30.448 1.00 60.81 N ATOM 1170 CD2 HIS A 721 11.835 11.906 29.613 1.00 53.28 C ATOM 1171 CE1 HIS A 721 13.400 13.365 29.135 1.00 60.17 C ATOM 1172 NE2 HIS A 721 12.536 12.520 28.603 1.00 53.31 N ATOM 1173 H HIS A 721 11.131 12.228 34.637 1.00 0.00 H ATOM 1174 N ARG A 722 9.536 10.229 32.542 1.00 58.86 N ATOM 1175 CA ARG A 722 8.657 9.105 32.146 1.00 65.68 C ATOM 1176 C ARG A 722 8.983 8.440 30.791 1.00 67.15 C ATOM 1177 O ARG A 722 8.254 7.548 30.351 1.00 71.98 O ATOM 1178 CB ARG A 722 7.168 9.503 32.194 1.00 73.63 C ATOM 1179 CG ARG A 722 6.690 10.038 33.540 1.00 82.45 C ATOM 1180 CD ARG A 722 5.543 11.030 33.375 1.00 97.93 C ATOM 1181 NE ARG A 722 5.977 12.264 32.706 1.00106.57 N ATOM 1182 CZ ARG A 722 5.174 13.243 32.281 1.00103.11 C ATOM 1183 NH1 ARG A 722 5.703 14.307 31.681 1.00 97.27 N ATOM 1184 NH2 ARG A 722 3.854 13.178 32.448 1.00108.52 N ATOM 1185 HE ARG A 722 6.998 12.386 32.550 1.00 0.00 H ATOM 1186 HH12 ARG A 722 5.087 15.075 31.346 1.00 0.00 H ATOM 1187 HH11 ARG A 722 6.732 14.370 31.547 1.00 0.00 H ATOM 1188 HH22 ARG A 722 3.248 13.952 32.109 1.00 0.00 H ATOM 1189 HH21 ARG A 722 3.429 12.353 32.918 1.00 0.00 H ATOM 1190 H ARG A 722 10.213 10.063 33.314 1.00 0.00 H ATOM 1191 N ASP A 723 10.087 8.831 30.156 1.00 62.98 N ATOM 1192 CA ASP A 723 10.424 8.355 28.804 1.00 57.80 C ATOM 1193 C ASP A 723 11.895 8.627 28.445 1.00 53.76 C ATOM 1194 O ASP A 723 12.215 9.071 27.339 1.00 46.24 O ATOM 1195 CB ASP A 723 9.479 8.990 27.765 1.00 61.80 C ATOM 1196 CG ASP A 723 9.480 8.247 26.426 1.00 67.79 C ATOM 1197 OD1 ASP A 723 9.737 7.026 26.399 1.00 65.08 O ATOM 1198 OD2 ASP A 723 9.209 8.893 25.391 1.00 74.28 O ATOM 1199 H ASP A 723 10.732 9.494 30.631 1.00 0.00 H ATOM 1200 N LEU A 724 12.791 8.331 29.384 1.00 54.06 N ATOM 1201 CA LEU A 724 14.213 8.593 29.205 1.00 54.79 C ATOM 1202 C LEU A 724 14.839 7.454 28.418 1.00 53.62 C ATOM 1203 O LEU A 724 14.739 6.295 28.816 1.00 53.76 O ATOM 1204 CB LEU A 724 14.918 8.742 30.557 1.00 60.38 C ATOM 1205 CG LEU A 724 16.438 8.975 30.531 1.00 62.59 C ATOM 1206 CD1 LEU A 724 16.816 10.192 29.695 1.00 59.30 C ATOM 1207 CD2 LEU A 724 16.966 9.113 31.948 1.00 66.12 C ATOM 1208 H LEU A 724 12.466 7.899 30.273 1.00 0.00 H ATOM 1209 N ALA A 725 15.479 7.797 27.304 1.00 51.29 N ATOM 1210 CA ALA A 725 16.176 6.830 26.454 1.00 51.46 C ATOM 1211 C ALA A 725 17.117 7.589 25.535 1.00 49.39 C ATOM 1212 O ALA A 725 16.951 8.795 25.349 1.00 49.69 O ATOM 1213 CB ALA A 725 15.176 6.021 25.641 1.00 56.27 C ATOM 1214 H ALA A 725 15.485 8.798 27.024 1.00 0.00 H ATOM 1215 N ALA A 726 18.082 6.895 24.942 1.00 45.94 N ATOM 1216 CA ALA A 726 19.043 7.547 24.040 1.00 44.19 C ATOM 1217 C ALA A 726 18.388 8.213 22.822 1.00 46.51 C ATOM 1218 O ALA A 726 18.890 9.218 22.332 1.00 48.98 O ATOM 1219 CB ALA A 726 20.117 6.568 23.590 1.00 45.13 C ATOM 1220 H ALA A 726 18.159 5.873 25.119 1.00 0.00 H ATOM 1221 N ARG A 727 17.287 7.647 22.328 1.00 50.73 N ATOM 1222 CA ARG A 727 16.520 8.255 21.231 1.00 53.22 C ATOM 1223 C ARG A 727 15.888 9.602 21.613 1.00 54.71 C ATOM 1224 O ARG A 727 15.650 10.437 20.740 1.00 60.85 O ATOM 1225 CB ARG A 727 15.430 7.301 20.726 1.00 55.53 C ATOM 1226 CG ARG A 727 14.303 7.042 21.718 1.00 60.09 C ATOM 1227 CD ARG A 727 13.162 6.252 21.106 1.00 64.19 C ATOM 1228 NE ARG A 727 12.033 6.221 22.031 1.00 67.05 N ATOM 1229 CZ ARG A 727 11.937 5.434 23.105 1.00 75.74 C ATOM 1230 NH1 ARG A 727 12.897 4.557 23.428 1.00 76.15 N ATOM 1231 NH2 ARG A 727 10.855 5.518 23.872 1.00 83.15 N ATOM 1232 HE ARG A 727 11.239 6.864 21.838 1.00 0.00 H ATOM 1233 HH12 ARG A 727 12.792 3.958 24.272 1.00 0.00 H ATOM 1234 HH11 ARG A 727 13.747 4.475 22.835 1.00 0.00 H ATOM 1235 HH22 ARG A 727 10.765 4.912 24.712 1.00 0.00 H ATOM 1236 HH21 ARG A 727 10.098 6.190 23.632 1.00 0.00 H ATOM 1237 H ARG A 727 16.960 6.746 22.732 1.00 0.00 H ATOM 1238 N ASN A 728 15.592 9.783 22.903 1.00 54.02 N ATOM 1239 CA ASN A 728 15.039 11.036 23.435 1.00 52.35 C ATOM 1240 C ASN A 728 16.083 12.040 23.938 1.00 47.13 C ATOM 1241 O ASN A 728 15.718 13.098 24.441 1.00 50.43 O ATOM 1242 CB ASN A 728 14.017 10.742 24.545 1.00 55.65 C ATOM 1243 CG ASN A 728 12.743 10.102 24.015 1.00 60.80 C ATOM 1244 OD1 ASN A 728 12.214 10.510 22.981 1.00 62.76 O ATOM 1245 ND2 ASN A 728 12.239 9.098 24.724 1.00 66.58 N ATOM 1246 HD22 ASN A 728 12.717 8.783 25.592 1.00 0.00 H ATOM 1247 HD21 ASN A 728 11.367 8.627 24.411 1.00 0.00 H ATOM 1248 H ASN A 728 15.761 8.998 23.564 1.00 0.00 H ATOM 1249 N CYS A 729 17.368 11.717 23.794 1.00 44.70 N ATOM 1250 CA CYS A 729 18.463 12.644 24.100 1.00 44.75 C ATOM 1251 C CYS A 729 19.000 13.206 22.790 1.00 43.71 C ATOM 1252 O CYS A 729 19.330 12.449 21.880 1.00 43.93 O ATOM 1253 CB CYS A 729 19.586 11.923 24.850 1.00 43.73 C ATOM 1254 SG CYS A 729 19.073 11.221 26.432 1.00 45.85 S ATOM 1255 H CYS A 729 17.605 10.765 23.449 1.00 0.00 H ATOM 1256 N MET A 730 19.095 14.527 22.703 1.00 44.16 N ATOM 1257 CA MET A 730 19.466 15.206 21.462 1.00 45.44 C ATOM 1258 C MET A 730 20.856 15.828 21.561 1.00 43.36 C ATOM 1259 O MET A 730 21.368 16.053 22.651 1.00 39.24 O ATOM 1260 CB MET A 730 18.432 16.287 21.134 1.00 47.29 C ATOM 1261 CG MET A 730 16.981 15.807 21.066 1.00 49.43 C ATOM 1262 SD MET A 730 16.614 14.639 19.731 1.00 50.94 S ATOM 1263 CE MET A 730 16.937 15.634 18.279 1.00 49.81 C ATOM 1264 H MET A 730 18.898 15.100 23.548 1.00 0.00 H ATOM 1265 N LEU A 731 21.441 16.117 20.406 1.00 49.16 N ATOM 1266 CA LEU A 731 22.806 16.627 20.311 1.00 58.93 C ATOM 1267 C LEU A 731 22.847 18.053 19.774 1.00 65.53 C ATOM 1268 O LEU A 731 22.463 18.308 18.628 1.00 61.20 O ATOM 1269 CB LEU A 731 23.637 15.747 19.384 1.00 59.19 C ATOM 1270 CG LEU A 731 24.338 14.544 19.997 1.00 59.52 C ATOM 1271 CD1 LEU A 731 24.753 13.572 18.903 1.00 64.74 C ATOM 1272 CD2 LEU A 731 25.549 14.981 20.811 1.00 61.75 C ATOM 1273 H LEU A 731 20.903 15.974 19.528 1.00 0.00 H ATOM 1274 N ARG A 732 23.349 18.965 20.601 1.00 73.03 N ATOM 1275 CA ARG A 732 23.582 20.345 20.186 1.00 69.96 C ATOM 1276 C ARG A 732 24.767 20.467 19.238 1.00 64.52 C ATOM 1277 O ARG A 732 25.626 19.592 19.173 1.00 60.44 O ATOM 1278 CB ARG A 732 23.823 21.250 21.398 1.00 78.34 C ATOM 1279 CG ARG A 732 22.601 22.020 21.857 1.00 89.97 C ATOM 1280 CD ARG A 732 23.006 23.135 22.808 1.00102.10 C ATOM 1281 NE ARG A 732 23.039 22.720 24.200 1.00110.98 N ATOM 1282 CZ ARG A 732 23.411 23.518 25.194 1.00111.53 C ATOM 1283 NH1 ARG A 732 23.777 24.777 24.965 1.00111.97 N ATOM 1284 NH2 ARG A 732 23.428 23.045 26.426 1.00116.10 N ATOM 1285 HE ARG A 732 22.756 21.746 24.430 1.00 0.00 H ATOM 1286 HH12 ARG A 732 24.065 25.387 25.757 1.00 0.00 H ATOM 1287 HH11 ARG A 732 23.775 25.151 23.995 1.00 0.00 H ATOM 1288 HH22 ARG A 732 23.717 23.658 27.215 1.00 0.00 H ATOM 1289 HH21 ARG A 732 23.152 22.059 26.608 1.00 0.00 H ATOM 1290 H ARG A 732 23.583 18.686 21.575 1.00 0.00 H ATOM 1291 N ASP A 733 24.823 21.611 18.564 1.00 69.61 N ATOM 1292 CA ASP A 733 25.880 21.943 17.597 1.00 67.65 C ATOM 1293 C ASP A 733 27.293 21.958 18.204 1.00 64.64 C ATOM 1294 O ASP A 733 28.267 21.783 17.479 1.00 58.46 O ATOM 1295 CB ASP A 733 25.581 23.294 16.924 1.00 73.52 C ATOM 1296 CG ASP A 733 24.245 23.295 16.162 1.00 87.30 C ATOM 1297 OD1 ASP A 733 23.341 22.500 16.521 1.00 88.79 O ATOM 1298 OD2 ASP A 733 24.090 24.099 15.216 1.00 81.81 O ATOM 1299 H ASP A 733 24.074 22.314 18.730 1.00 0.00 H ATOM 1300 N ASP A 734 27.392 22.166 19.522 1.00 63.86 N ATOM 1301 CA ASP A 734 28.667 22.101 20.266 1.00 67.71 C ATOM 1302 C ASP A 734 28.989 20.728 20.900 1.00 71.00 C ATOM 1303 O ASP A 734 29.844 20.645 21.788 1.00 66.46 O ATOM 1304 CB ASP A 734 28.695 23.194 21.356 1.00 71.86 C ATOM 1305 CG ASP A 734 27.691 22.952 22.482 1.00 75.17 C ATOM 1306 OD1 ASP A 734 26.792 22.093 22.337 1.00 84.18 O ATOM 1307 OD2 ASP A 734 27.800 23.632 23.523 1.00 82.16 O ATOM 1308 H ASP A 734 26.524 22.385 20.052 1.00 0.00 H ATOM 1309 N MET A 735 28.295 19.674 20.463 1.00 72.30 N ATOM 1310 CA MET A 735 28.477 18.299 20.963 1.00 71.01 C ATOM 1311 C MET A 735 27.997 18.025 22.398 1.00 69.48 C ATOM 1312 O MET A 735 28.232 16.935 22.914 1.00 74.45 O ATOM 1313 CB MET A 735 29.935 17.808 20.782 1.00 71.88 C ATOM 1314 CG MET A 735 30.382 17.647 19.339 1.00 75.58 C ATOM 1315 SD MET A 735 29.360 16.492 18.402 1.00 86.38 S ATOM 1316 CE MET A 735 29.347 15.043 19.433 1.00 86.82 C ATOM 1317 H MET A 735 27.581 19.833 19.723 1.00 0.00 H ATOM 1318 N THR A 736 27.295 18.968 23.027 1.00 67.40 N ATOM 1319 CA THR A 736 26.672 18.711 24.328 1.00 63.42 C ATOM 1320 C THR A 736 25.331 18.014 24.120 1.00 56.76 C ATOM 1321 O THR A 736 24.663 18.221 23.100 1.00 54.60 O ATOM 1322 CB THR A 736 26.468 20.003 25.147 1.00 66.30 C ATOM 1323 OG1 THR A 736 25.571 20.888 24.456 1.00 67.29 O ATOM 1324 CG2 THR A 736 27.807 20.703 25.379 1.00 62.88 C ATOM 1325 HG1 THR A 736 25.953 21.119 23.572 1.00 0.00 H ATOM 1326 H THR A 736 27.188 19.904 22.586 1.00 0.00 H ATOM 1327 N VAL A 737 24.955 17.177 25.084 1.00 55.19 N ATOM 1328 CA VAL A 737 23.680 16.463 25.060 1.00 52.51 C ATOM 1329 C VAL A 737 22.675 17.187 25.952 1.00 49.40 C ATOM 1330 O VAL A 737 23.040 17.721 26.999 1.00 50.35 O ATOM 1331 CB VAL A 737 23.837 15.009 25.558 1.00 53.19 C ATOM 1332 CG1 VAL A 737 22.515 14.247 25.453 1.00 55.33 C ATOM 1333 CG2 VAL A 737 24.932 14.290 24.777 1.00 56.89 C ATOM 1334 H VAL A 737 25.596 17.024 25.889 1.00 0.00 H ATOM 1335 N CYS A 738 21.416 17.197 25.532 1.00 47.35 N ATOM 1336 CA CYS A 738 20.321 17.662 26.374 1.00 52.88 C ATOM 1337 C CYS A 738 19.142 16.696 26.307 1.00 53.75 C ATOM 1338 O CYS A 738 18.905 16.078 25.271 1.00 55.63 O ATOM 1339 CB CYS A 738 19.897 19.068 25.958 1.00 59.75 C ATOM 1340 SG CYS A 738 19.070 19.171 24.359 1.00 60.74 S ATOM 1341 H CYS A 738 21.204 16.862 24.571 1.00 0.00 H ATOM 1342 N VAL A 739 18.428 16.557 27.427 1.00 57.48 N ATOM 1343 CA VAL A 739 17.273 15.653 27.512 1.00 56.95 C ATOM 1344 C VAL A 739 16.040 16.341 26.924 1.00 56.02 C ATOM 1345 O VAL A 739 15.863 17.548 27.075 1.00 54.52 O ATOM 1346 CB VAL A 739 17.004 15.141 28.957 1.00 55.75 C ATOM 1347 CG1 VAL A 739 18.276 14.564 29.568 1.00 58.40 C ATOM 1348 CG2 VAL A 739 16.425 16.221 29.861 1.00 63.09 C ATOM 1349 H VAL A 739 18.699 17.107 28.267 1.00 0.00 H ATOM 1350 N ALA A 740 15.204 15.560 26.248 1.00 57.47 N ATOM 1351 CA ALA A 740 14.050 16.078 25.511 1.00 56.54 C ATOM 1352 C ALA A 740 12.865 15.116 25.617 1.00 56.76 C ATOM 1353 O ALA A 740 13.001 14.030 26.177 1.00 56.28 O ATOM 1354 CB ALA A 740 14.435 16.296 24.057 1.00 55.53 C ATOM 1355 H ALA A 740 15.377 14.535 26.242 1.00 0.00 H ATOM 1356 N ASP A 741 11.718 15.535 25.081 1.00 61.07 N ATOM 1357 CA ASP A 741 10.477 14.730 25.029 1.00 67.48 C ATOM 1358 C ASP A 741 9.858 14.431 26.395 1.00 64.21 C ATOM 1359 O ASP A 741 10.012 13.332 26.950 1.00 67.78 O ATOM 1360 CB ASP A 741 10.678 13.434 24.224 1.00 70.95 C ATOM 1361 CG ASP A 741 9.372 12.703 23.960 1.00 78.96 C ATOM 1362 OD1 ASP A 741 8.421 13.337 23.462 1.00 86.86 O ATOM 1363 OD2 ASP A 741 9.289 11.497 24.263 1.00 86.67 O ATOM 1364 H ASP A 741 11.694 16.491 24.672 1.00 0.00 H ATOM 1365 N PHE A 742 9.102 15.413 26.880 1.00 69.71 N ATOM 1366 CA PHE A 742 8.530 15.412 28.220 1.00 74.47 C ATOM 1367 C PHE A 742 7.031 15.088 28.187 1.00 76.77 C ATOM 1368 O PHE A 742 6.264 15.677 27.420 1.00 63.40 O ATOM 1369 CB PHE A 742 8.764 16.782 28.864 1.00 75.94 C ATOM 1370 CG PHE A 742 10.182 17.281 28.731 1.00 72.94 C ATOM 1371 CD1 PHE A 742 11.201 16.742 29.510 1.00 71.87 C ATOM 1372 CD2 PHE A 742 10.500 18.285 27.821 1.00 70.46 C ATOM 1373 CE1 PHE A 742 12.507 17.195 29.386 1.00 73.08 C ATOM 1374 CE2 PHE A 742 11.805 18.745 27.696 1.00 70.46 C ATOM 1375 CZ PHE A 742 12.810 18.198 28.476 1.00 72.14 C ATOM 1376 H PHE A 742 8.908 16.230 26.266 1.00 0.00 H TER 1377 PHE A 742 ATOM 1378 N PRO A 763 7.356 2.078 25.927 1.00 87.99 N ATOM 1379 CA PRO A 763 8.675 1.464 25.777 1.00 82.86 C ATOM 1380 C PRO A 763 9.024 0.584 26.983 1.00 75.15 C ATOM 1381 O PRO A 763 9.495 1.082 28.007 1.00 79.37 O ATOM 1382 CB PRO A 763 9.604 2.678 25.658 1.00 81.41 C ATOM 1383 CG PRO A 763 8.882 3.793 26.373 1.00 82.45 C ATOM 1384 CD PRO A 763 7.442 3.400 26.571 1.00 84.10 C ATOM 1385 HN2 PRO A 763 6.759 1.457 26.509 1.00 0.00 H ATOM 1386 HN1 PRO A 763 6.926 2.188 24.987 1.00 0.00 H ATOM 1387 N VAL A 764 8.805 -0.719 26.833 1.00 68.58 N ATOM 1388 CA VAL A 764 8.797 -1.660 27.963 1.00 66.30 C ATOM 1389 C VAL A 764 10.169 -1.791 28.628 1.00 63.04 C ATOM 1390 O VAL A 764 10.273 -1.798 29.859 1.00 62.53 O ATOM 1391 CB VAL A 764 8.301 -3.066 27.527 1.00 68.98 C ATOM 1392 CG1 VAL A 764 8.292 -4.038 28.708 1.00 69.14 C ATOM 1393 CG2 VAL A 764 6.913 -2.975 26.894 1.00 72.18 C ATOM 1394 H VAL A 764 8.632 -1.088 25.876 1.00 0.00 H ATOM 1395 N LYS A 765 11.217 -1.862 27.809 1.00 62.38 N ATOM 1396 CA LYS A 765 12.561 -2.209 28.283 1.00 64.38 C ATOM 1397 C LYS A 765 13.310 -1.097 29.040 1.00 62.99 C ATOM 1398 O LYS A 765 14.436 -1.313 29.487 1.00 62.52 O ATOM 1399 CB LYS A 765 13.407 -2.727 27.113 1.00 65.64 C ATOM 1400 CG LYS A 765 12.851 -4.002 26.493 1.00 69.62 C ATOM 1401 CD LYS A 765 13.759 -4.558 25.408 1.00 73.49 C ATOM 1402 CE LYS A 765 13.515 -6.044 25.173 1.00 78.53 C ATOM 1403 NZ LYS A 765 14.493 -6.639 24.220 1.00 81.52 N ATOM 1404 HZ1 LYS A 765 14.421 -6.153 23.303 1.00 0.00 H ATOM 1405 HZ2 LYS A 765 15.455 -6.528 24.598 1.00 0.00 H ATOM 1406 HZ3 LYS A 765 14.283 -7.650 24.095 1.00 0.00 H ATOM 1407 H LYS A 765 11.077 -1.664 26.798 1.00 0.00 H ATOM 1408 N TRP A 766 12.699 0.080 29.175 1.00 58.49 N ATOM 1409 CA TRP A 766 13.246 1.164 29.989 1.00 55.22 C ATOM 1410 C TRP A 766 12.456 1.397 31.282 1.00 59.82 C ATOM 1411 O TRP A 766 12.895 2.172 32.137 1.00 63.33 O ATOM 1412 CB TRP A 766 13.303 2.447 29.160 1.00 50.92 C ATOM 1413 CG TRP A 766 14.372 2.432 28.105 1.00 47.13 C ATOM 1414 CD1 TRP A 766 15.574 3.064 28.166 1.00 48.59 C ATOM 1415 CD2 TRP A 766 14.337 1.760 26.836 1.00 44.83 C ATOM 1416 NE1 TRP A 766 16.291 2.840 27.020 1.00 46.82 N ATOM 1417 CE2 TRP A 766 15.558 2.041 26.184 1.00 46.11 C ATOM 1418 CE3 TRP A 766 13.388 0.962 26.179 1.00 43.29 C ATOM 1419 CZ2 TRP A 766 15.865 1.542 24.905 1.00 42.63 C ATOM 1420 CZ3 TRP A 766 13.694 0.467 24.911 1.00 42.40 C ATOM 1421 CH2 TRP A 766 14.925 0.760 24.290 1.00 42.06 C ATOM 1422 HE1 TRP A 766 17.239 3.216 26.818 1.00 0.00 H ATOM 1423 H TRP A 766 11.797 0.233 28.681 1.00 0.00 H ATOM 1424 N ILE A 767 11.315 0.717 31.435 1.00 64.68 N ATOM 1425 CA ILE A 767 10.452 0.865 32.614 1.00 66.40 C ATOM 1426 C ILE A 767 10.909 -0.086 33.721 1.00 63.96 C ATOM 1427 O ILE A 767 11.305 -1.219 33.443 1.00 62.08 O ATOM 1428 CB ILE A 767 8.976 0.576 32.267 1.00 67.08 C ATOM 1429 CG1 ILE A 767 8.494 1.519 31.156 1.00 64.47 C ATOM 1430 CG2 ILE A 767 8.085 0.727 33.497 1.00 67.92 C ATOM 1431 CD1 ILE A 767 7.285 1.012 30.407 1.00 63.06 C ATOM 1432 H ILE A 767 11.026 0.055 30.687 1.00 0.00 H ATOM 1433 N ALA A 768 10.833 0.382 34.967 1.00 62.36 N ATOM 1434 CA ALA A 768 11.279 -0.384 36.130 1.00 64.61 C ATOM 1435 C ALA A 768 10.234 -1.394 36.615 1.00 72.99 C ATOM 1436 O ALA A 768 9.077 -1.381 36.172 1.00 69.63 O ATOM 1437 CB ALA A 768 11.661 0.563 37.258 1.00 65.25 C ATOM 1438 H ALA A 768 10.440 1.333 35.118 1.00 0.00 H ATOM 1439 N ILE A 769 10.666 -2.258 37.539 1.00 82.66 N ATOM 1440 CA ILE A 769 9.837 -3.345 38.085 1.00 86.96 C ATOM 1441 C ILE A 769 8.566 -2.799 38.724 1.00 87.86 C ATOM 1442 O ILE A 769 7.459 -3.125 38.284 1.00 91.56 O ATOM 1443 CB ILE A 769 10.617 -4.199 39.121 1.00 96.78 C ATOM 1444 CG1 ILE A 769 11.674 -5.053 38.409 1.00105.46 C ATOM 1445 CG2 ILE A 769 9.681 -5.113 39.919 1.00106.01 C ATOM 1446 CD1 ILE A 769 12.687 -5.706 39.329 1.00108.71 C ATOM 1447 H ILE A 769 11.639 -2.157 37.891 1.00 0.00 H ATOM 1448 N GLU A 770 8.744 -1.970 39.753 1.00 78.87 N ATOM 1449 CA GLU A 770 7.626 -1.404 40.522 1.00 74.86 C ATOM 1450 C GLU A 770 6.551 -0.724 39.644 1.00 76.38 C ATOM 1451 O GLU A 770 5.358 -0.809 39.941 1.00 72.54 O ATOM 1452 CB GLU A 770 8.137 -0.456 41.631 1.00 70.16 C ATOM 1453 CG GLU A 770 8.601 0.944 41.201 1.00 71.40 C ATOM 1454 CD GLU A 770 10.023 1.022 40.654 1.00 66.58 C ATOM 1455 OE1 GLU A 770 10.499 2.157 40.445 1.00 61.32 O ATOM 1456 OE2 GLU A 770 10.682 -0.019 40.445 1.00 61.14 O ATOM 1457 H GLU A 770 9.715 -1.713 40.023 1.00 0.00 H ATOM 1458 N SER A 771 6.981 -0.104 38.543 1.00 80.88 N ATOM 1459 CA SER A 771 6.076 0.558 37.591 1.00 81.92 C ATOM 1460 C SER A 771 5.256 -0.394 36.690 1.00 91.39 C ATOM 1461 O SER A 771 4.621 0.061 35.732 1.00 83.99 O ATOM 1462 CB SER A 771 6.878 1.532 36.716 1.00 74.65 C ATOM 1463 OG SER A 771 7.566 2.486 37.507 1.00 67.78 O ATOM 1464 HG SER A 771 8.073 3.098 36.917 1.00 0.00 H ATOM 1465 H SER A 771 8.003 -0.088 38.349 1.00 0.00 H ATOM 1466 N LEU A 772 5.269 -1.697 36.990 1.00104.02 N ATOM 1467 CA LEU A 772 4.473 -2.693 36.270 1.00104.00 C ATOM 1468 C LEU A 772 3.648 -3.530 37.248 1.00 95.02 C ATOM 1469 O LEU A 772 3.239 -3.048 38.309 1.00 82.48 O ATOM 1470 CB LEU A 772 5.401 -3.602 35.467 1.00106.04 C ATOM 1471 CG LEU A 772 6.361 -2.894 34.505 1.00110.38 C ATOM 1472 CD1 LEU A 772 7.441 -3.849 34.019 1.00110.23 C ATOM 1473 CD2 LEU A 772 5.597 -2.293 33.333 1.00114.61 C ATOM 1474 H LEU A 772 5.874 -2.019 37.773 1.00 0.00 H TER 1475 LEU A 772 ATOM 1476 N TYR A 777 4.764 5.761 38.665 1.00 83.68 N ATOM 1477 CA TYR A 777 6.100 6.303 38.276 1.00 83.84 C ATOM 1478 C TYR A 777 6.591 7.327 39.289 1.00 74.66 C ATOM 1479 O TYR A 777 5.860 8.245 39.657 1.00 79.07 O ATOM 1480 CB TYR A 777 6.066 6.967 36.888 1.00 89.20 C ATOM 1481 CG TYR A 777 5.637 6.079 35.735 1.00103.78 C ATOM 1482 CD1 TYR A 777 4.289 5.786 35.534 1.00114.51 C ATOM 1483 CD2 TYR A 777 6.567 5.563 34.819 1.00102.60 C ATOM 1484 CE1 TYR A 777 3.869 4.986 34.480 1.00115.27 C ATOM 1485 CE2 TYR A 777 6.155 4.763 33.756 1.00108.80 C ATOM 1486 CZ TYR A 777 4.806 4.478 33.591 1.00117.40 C ATOM 1487 OH TYR A 777 4.387 3.686 32.546 1.00125.96 O ATOM 1488 HH TYR A 777 3.402 3.588 32.582 1.00 0.00 H ATOM 1489 HN3 TYR A 777 4.076 6.539 38.713 1.00 0.00 H ATOM 1490 HN2 TYR A 777 4.835 5.302 39.596 1.00 0.00 H ATOM 1491 HN1 TYR A 777 4.454 5.065 37.957 1.00 0.00 H ATOM 1492 N THR A 778 7.840 7.161 39.714 1.00 71.59 N ATOM 1493 CA THR A 778 8.503 8.051 40.662 1.00 72.40 C ATOM 1494 C THR A 778 9.802 8.566 40.036 1.00 65.14 C ATOM 1495 O THR A 778 10.099 8.275 38.875 1.00 70.13 O ATOM 1496 CB THR A 778 8.819 7.303 41.970 1.00 77.48 C ATOM 1497 OG1 THR A 778 9.652 6.171 41.685 1.00 77.68 O ATOM 1498 CG2 THR A 778 7.537 6.829 42.630 1.00 79.96 C ATOM 1499 HG1 THR A 778 9.854 5.691 42.527 1.00 0.00 H ATOM 1500 H THR A 778 8.377 6.348 39.349 1.00 0.00 H ATOM 1501 N SER A 779 10.573 9.337 40.792 1.00 56.42 N ATOM 1502 CA SER A 779 11.874 9.793 40.317 1.00 55.80 C ATOM 1503 C SER A 779 12.883 8.643 40.222 1.00 56.41 C ATOM 1504 O SER A 779 13.847 8.728 39.460 1.00 55.23 O ATOM 1505 CB SER A 779 12.382 10.905 41.208 1.00 54.77 C ATOM 1506 OG SER A 779 13.577 11.503 40.721 1.00 51.16 O ATOM 1507 HG SER A 779 13.862 12.220 41.341 1.00 0.00 H ATOM 1508 H SER A 779 10.245 9.620 41.737 1.00 0.00 H ATOM 1509 N LYS A 780 12.651 7.570 40.976 1.00 52.56 N ATOM 1510 CA LYS A 780 13.525 6.405 40.937 1.00 55.36 C ATOM 1511 C LYS A 780 13.250 5.456 39.761 1.00 66.44 C ATOM 1512 O LYS A 780 14.133 4.664 39.405 1.00 73.31 O ATOM 1513 CB LYS A 780 13.483 5.659 42.277 1.00 58.85 C ATOM 1514 CG LYS A 780 14.037 6.448 43.464 1.00 58.36 C ATOM 1515 CD LYS A 780 15.477 6.917 43.248 1.00 58.29 C ATOM 1516 CE LYS A 780 16.072 7.562 44.486 1.00 59.96 C ATOM 1517 NZ LYS A 780 16.390 6.565 45.544 1.00 63.93 N ATOM 1518 HZ1 LYS A 780 15.520 6.070 45.825 1.00 0.00 H ATOM 1519 HZ2 LYS A 780 17.078 5.878 45.175 1.00 0.00 H ATOM 1520 HZ3 LYS A 780 16.794 7.053 46.369 1.00 0.00 H ATOM 1521 H LYS A 780 11.825 7.564 41.608 1.00 0.00 H ATOM 1522 N SER A 781 12.062 5.527 39.151 1.00 65.83 N ATOM 1523 CA SER A 781 11.820 4.846 37.863 1.00 62.43 C ATOM 1524 C SER A 781 12.477 5.599 36.700 1.00 56.66 C ATOM 1525 O SER A 781 12.846 4.982 35.695 1.00 52.11 O ATOM 1526 CB SER A 781 10.327 4.636 37.597 1.00 58.93 C ATOM 1527 OG SER A 781 9.622 5.851 37.662 1.00 64.69 O ATOM 1528 HG SER A 781 9.730 6.246 38.563 1.00 0.00 H ATOM 1529 H SER A 781 11.294 6.072 39.592 1.00 0.00 H ATOM 1530 N ASP A 782 12.615 6.921 36.841 1.00 52.43 N ATOM 1531 CA ASP A 782 13.487 7.714 35.958 1.00 53.00 C ATOM 1532 C ASP A 782 14.958 7.287 36.073 1.00 50.23 C ATOM 1533 O ASP A 782 15.676 7.277 35.075 1.00 50.50 O ATOM 1534 CB ASP A 782 13.383 9.229 36.254 1.00 55.50 C ATOM 1535 CG ASP A 782 12.253 9.922 35.500 1.00 57.66 C ATOM 1536 OD1 ASP A 782 11.803 9.431 34.445 1.00 63.08 O ATOM 1537 OD2 ASP A 782 11.833 11.009 35.951 1.00 58.08 O ATOM 1538 H ASP A 782 12.090 7.405 37.598 1.00 0.00 H ATOM 1539 N VAL A 783 15.412 6.970 37.286 1.00 49.20 N ATOM 1540 CA VAL A 783 16.795 6.524 37.495 1.00 46.36 C ATOM 1541 C VAL A 783 17.038 5.193 36.776 1.00 46.56 C ATOM 1542 O VAL A 783 18.094 5.003 36.171 1.00 44.91 O ATOM 1543 CB VAL A 783 17.179 6.435 38.998 1.00 43.60 C ATOM 1544 CG1 VAL A 783 18.563 5.817 39.177 1.00 45.28 C ATOM 1545 CG2 VAL A 783 17.174 7.814 39.641 1.00 41.50 C ATOM 1546 H VAL A 783 14.772 7.040 38.103 1.00 0.00 H ATOM 1547 N TRP A 784 16.056 4.292 36.832 1.00 47.75 N ATOM 1548 CA TRP A 784 16.135 2.994 36.148 1.00 46.79 C ATOM 1549 C TRP A 784 16.376 3.194 34.650 1.00 46.42 C ATOM 1550 O TRP A 784 17.303 2.613 34.079 1.00 50.55 O ATOM 1551 CB TRP A 784 14.843 2.202 36.387 1.00 51.67 C ATOM 1552 CG TRP A 784 14.817 0.813 35.814 1.00 58.63 C ATOM 1553 CD1 TRP A 784 14.710 0.466 34.497 1.00 63.16 C ATOM 1554 CD2 TRP A 784 14.857 -0.415 36.549 1.00 61.88 C ATOM 1555 NE1 TRP A 784 14.705 -0.899 34.368 1.00 66.85 N ATOM 1556 CE2 TRP A 784 14.794 -1.466 35.612 1.00 62.58 C ATOM 1557 CE3 TRP A 784 14.941 -0.729 37.908 1.00 62.44 C ATOM 1558 CZ2 TRP A 784 14.815 -2.811 35.993 1.00 62.07 C ATOM 1559 CZ3 TRP A 784 14.966 -2.065 38.288 1.00 58.05 C ATOM 1560 CH2 TRP A 784 14.906 -3.088 37.333 1.00 58.63 C ATOM 1561 HE1 TRP A 784 14.644 -1.420 33.470 1.00 0.00 H ATOM 1562 H TRP A 784 15.202 4.517 37.381 1.00 0.00 H ATOM 1563 N ALA A 785 15.544 4.033 34.035 1.00 41.92 N ATOM 1564 CA ALA A 785 15.641 4.346 32.606 1.00 39.36 C ATOM 1565 C ALA A 785 16.962 5.017 32.222 1.00 39.37 C ATOM 1566 O ALA A 785 17.470 4.808 31.113 1.00 42.10 O ATOM 1567 CB ALA A 785 14.474 5.225 32.187 1.00 40.92 C ATOM 1568 H ALA A 785 14.792 4.486 34.593 1.00 0.00 H ATOM 1569 N PHE A 786 17.503 5.827 33.131 1.00 38.05 N ATOM 1570 CA PHE A 786 18.827 6.416 32.961 1.00 40.64 C ATOM 1571 C PHE A 786 19.922 5.337 32.889 1.00 45.25 C ATOM 1572 O PHE A 786 20.788 5.382 32.015 1.00 45.82 O ATOM 1573 CB PHE A 786 19.122 7.398 34.093 1.00 40.68 C ATOM 1574 CG PHE A 786 20.523 7.931 34.082 1.00 42.34 C ATOM 1575 CD1 PHE A 786 20.929 8.823 33.098 1.00 48.00 C ATOM 1576 CD2 PHE A 786 21.442 7.533 35.037 1.00 38.89 C ATOM 1577 CE1 PHE A 786 22.226 9.316 33.075 1.00 45.45 C ATOM 1578 CE2 PHE A 786 22.737 8.022 35.020 1.00 41.33 C ATOM 1579 CZ PHE A 786 23.130 8.917 34.039 1.00 41.82 C ATOM 1580 H PHE A 786 16.963 6.047 33.992 1.00 0.00 H ATOM 1581 N GLY A 787 19.876 4.374 33.806 1.00 47.61 N ATOM 1582 CA GLY A 787 20.754 3.211 33.748 1.00 49.19 C ATOM 1583 C GLY A 787 20.674 2.484 32.415 1.00 46.77 C ATOM 1584 O GLY A 787 21.704 2.104 31.848 1.00 50.11 O ATOM 1585 H GLY A 787 19.194 4.453 34.587 1.00 0.00 H ATOM 1586 N VAL A 788 19.459 2.311 31.899 1.00 42.53 N ATOM 1587 CA VAL A 788 19.273 1.671 30.588 1.00 45.14 C ATOM 1588 C VAL A 788 19.922 2.540 29.498 1.00 45.81 C ATOM 1589 O VAL A 788 20.629 2.028 28.628 1.00 46.25 O ATOM 1590 CB VAL A 788 17.782 1.370 30.264 1.00 42.38 C ATOM 1591 CG1 VAL A 788 17.652 0.650 28.924 1.00 41.77 C ATOM 1592 CG2 VAL A 788 17.153 0.502 31.348 1.00 39.74 C ATOM 1593 H VAL A 788 18.627 2.634 32.432 1.00 0.00 H ATOM 1594 N THR A 789 19.708 3.850 29.571 1.00 44.25 N ATOM 1595 CA THR A 789 20.344 4.788 28.640 1.00 47.15 C ATOM 1596 C THR A 789 21.879 4.765 28.732 1.00 48.04 C ATOM 1597 O THR A 789 22.552 4.879 27.707 1.00 49.94 O ATOM 1598 CB THR A 789 19.817 6.230 28.841 1.00 44.45 C ATOM 1599 OG1 THR A 789 18.384 6.213 28.842 1.00 47.14 O ATOM 1600 CG2 THR A 789 20.302 7.155 27.738 1.00 38.74 C ATOM 1601 HG1 THR A 789 18.062 5.636 29.579 1.00 0.00 H ATOM 1602 H THR A 789 19.073 4.219 30.307 1.00 0.00 H ATOM 1603 N MET A 790 22.424 4.623 29.945 1.00 49.89 N ATOM 1604 CA MET A 790 23.877 4.440 30.134 1.00 47.92 C ATOM 1605 C MET A 790 24.380 3.196 29.394 1.00 48.38 C ATOM 1606 O MET A 790 25.449 3.215 28.767 1.00 41.16 O ATOM 1607 CB MET A 790 24.230 4.261 31.609 1.00 48.98 C ATOM 1608 CG MET A 790 24.147 5.488 32.489 1.00 48.46 C ATOM 1609 SD MET A 790 24.510 5.016 34.197 1.00 51.71 S ATOM 1610 CE MET A 790 26.271 4.704 34.075 1.00 53.42 C ATOM 1611 H MET A 790 21.805 4.642 30.781 1.00 0.00 H ATOM 1612 N TRP A 791 23.600 2.119 29.495 1.00 46.66 N ATOM 1613 CA TRP A 791 23.886 0.869 28.793 1.00 50.29 C ATOM 1614 C TRP A 791 23.866 1.080 27.274 1.00 48.32 C ATOM 1615 O TRP A 791 24.791 0.654 26.580 1.00 43.74 O ATOM 1616 CB TRP A 791 22.886 -0.221 29.215 1.00 54.03 C ATOM 1617 CG TRP A 791 23.231 -1.619 28.768 1.00 55.11 C ATOM 1618 CD1 TRP A 791 24.022 -2.525 29.424 1.00 56.72 C ATOM 1619 CD2 TRP A 791 22.772 -2.273 27.585 1.00 54.51 C ATOM 1620 NE1 TRP A 791 24.092 -3.699 28.713 1.00 51.49 N ATOM 1621 CE2 TRP A 791 23.334 -3.572 27.579 1.00 54.11 C ATOM 1622 CE3 TRP A 791 21.946 -1.887 26.519 1.00 54.21 C ATOM 1623 CZ2 TRP A 791 23.091 -4.489 26.551 1.00 52.57 C ATOM 1624 CZ3 TRP A 791 21.712 -2.796 25.493 1.00 54.79 C ATOM 1625 CH2 TRP A 791 22.280 -4.083 25.519 1.00 53.56 C ATOM 1626 HE1 TRP A 791 24.631 -4.544 28.990 1.00 0.00 H ATOM 1627 H TRP A 791 22.754 2.170 30.098 1.00 0.00 H ATOM 1628 N GLU A 792 22.833 1.765 26.774 1.00 48.73 N ATOM 1629 CA GLU A 792 22.724 2.095 25.344 1.00 46.55 C ATOM 1630 C GLU A 792 23.956 2.814 24.812 1.00 48.79 C ATOM 1631 O GLU A 792 24.450 2.494 23.728 1.00 54.29 O ATOM 1632 CB GLU A 792 21.521 2.988 25.078 1.00 44.47 C ATOM 1633 CG GLU A 792 20.175 2.311 25.213 1.00 46.09 C ATOM 1634 CD GLU A 792 19.065 3.232 24.765 1.00 45.83 C ATOM 1635 OE1 GLU A 792 18.470 3.924 25.625 1.00 46.17 O ATOM 1636 OE2 GLU A 792 18.820 3.298 23.543 1.00 48.44 O ATOM 1637 H GLU A 792 22.079 2.076 27.419 1.00 0.00 H ATOM 1638 N ILE A 793 24.438 3.782 25.587 1.00 49.43 N ATOM 1639 CA ILE A 793 25.619 4.577 25.237 1.00 49.75 C ATOM 1640 C ILE A 793 26.890 3.721 25.275 1.00 52.10 C ATOM 1641 O ILE A 793 27.729 3.807 24.372 1.00 56.43 O ATOM 1642 CB ILE A 793 25.770 5.793 26.183 1.00 50.97 C ATOM 1643 CG1 ILE A 793 24.585 6.756 26.030 1.00 48.69 C ATOM 1644 CG2 ILE A 793 27.068 6.548 25.916 1.00 56.90 C ATOM 1645 CD1 ILE A 793 24.300 7.554 27.280 1.00 49.27 C ATOM 1646 H ILE A 793 23.953 3.985 26.485 1.00 0.00 H ATOM 1647 N ALA A 794 27.022 2.899 26.314 1.00 49.63 N ATOM 1648 CA ALA A 794 28.169 2.000 26.466 1.00 47.87 C ATOM 1649 C ALA A 794 28.249 0.925 25.374 1.00 50.20 C ATOM 1650 O ALA A 794 29.339 0.526 24.959 1.00 52.31 O ATOM 1651 CB ALA A 794 28.123 1.348 27.834 1.00 49.92 C ATOM 1652 H ALA A 794 26.283 2.895 27.046 1.00 0.00 H ATOM 1653 N THR A 795 27.088 0.453 24.927 1.00 51.92 N ATOM 1654 CA THR A 795 26.994 -0.518 23.839 1.00 49.98 C ATOM 1655 C THR A 795 26.959 0.138 22.461 1.00 53.02 C ATOM 1656 O THR A 795 26.907 -0.567 21.454 1.00 61.00 O ATOM 1657 CB THR A 795 25.720 -1.371 23.973 1.00 48.00 C ATOM 1658 OG1 THR A 795 24.573 -0.515 24.011 1.00 49.34 O ATOM 1659 CG2 THR A 795 25.763 -2.230 25.230 1.00 47.36 C ATOM 1660 HG1 THR A 795 24.644 0.096 24.787 1.00 0.00 H ATOM 1661 H THR A 795 26.210 0.790 25.371 1.00 0.00 H ATOM 1662 N ARG A 796 26.982 1.472 22.411 1.00 57.08 N ATOM 1663 CA ARG A 796 26.853 2.230 21.163 1.00 57.48 C ATOM 1664 C ARG A 796 25.608 1.797 20.385 1.00 54.73 C ATOM 1665 O ARG A 796 25.690 1.397 19.225 1.00 54.07 O ATOM 1666 CB ARG A 796 28.127 2.121 20.313 1.00 55.47 C ATOM 1667 CG ARG A 796 29.373 2.624 21.016 1.00 60.20 C ATOM 1668 CD ARG A 796 30.602 2.510 20.128 1.00 67.71 C ATOM 1669 NE ARG A 796 31.819 2.910 20.841 1.00 76.22 N ATOM 1670 CZ ARG A 796 32.478 2.165 21.738 1.00 83.26 C ATOM 1671 NH1 ARG A 796 32.060 0.938 22.073 1.00 86.76 N ATOM 1672 NH2 ARG A 796 33.577 2.654 22.315 1.00 78.38 N ATOM 1673 HE ARG A 796 32.204 3.853 20.632 1.00 0.00 H ATOM 1674 HH12 ARG A 796 32.591 0.381 22.773 1.00 0.00 H ATOM 1675 HH11 ARG A 796 31.205 0.542 21.634 1.00 0.00 H ATOM 1676 HH22 ARG A 796 34.096 2.083 23.013 1.00 0.00 H ATOM 1677 HH21 ARG A 796 33.915 3.606 22.067 1.00 0.00 H ATOM 1678 H ARG A 796 27.097 1.999 23.300 1.00 0.00 H ATOM 1679 N GLY A 797 24.468 1.831 21.074 1.00 50.95 N ATOM 1680 CA GLY A 797 23.162 1.672 20.448 1.00 46.94 C ATOM 1681 C GLY A 797 22.604 0.271 20.304 1.00 43.75 C ATOM 1682 O GLY A 797 21.856 0.016 19.365 1.00 42.17 O ATOM 1683 H GLY A 797 24.512 1.977 22.103 1.00 0.00 H ATOM 1684 N MET A 798 22.939 -0.638 21.220 1.00 45.86 N ATOM 1685 CA MET A 798 22.273 -1.953 21.261 1.00 46.72 C ATOM 1686 C MET A 798 20.890 -1.801 21.847 1.00 44.52 C ATOM 1687 O MET A 798 20.695 -1.017 22.771 1.00 47.12 O ATOM 1688 CB MET A 798 23.024 -2.969 22.122 1.00 50.69 C ATOM 1689 CG MET A 798 24.171 -3.675 21.428 1.00 53.51 C ATOM 1690 SD MET A 798 24.786 -5.076 22.390 1.00 61.01 S ATOM 1691 CE MET A 798 23.409 -6.210 22.280 1.00 63.51 C ATOM 1692 H MET A 798 23.680 -0.417 21.915 1.00 0.00 H ATOM 1693 N THR A 799 19.936 -2.565 21.325 1.00 45.56 N ATOM 1694 CA THR A 799 18.627 -2.676 21.956 1.00 47.10 C ATOM 1695 C THR A 799 18.804 -3.450 23.273 1.00 49.30 C ATOM 1696 O THR A 799 19.498 -4.468 23.289 1.00 52.88 O ATOM 1697 CB THR A 799 17.615 -3.400 21.052 1.00 47.21 C ATOM 1698 OG1 THR A 799 17.651 -2.824 19.740 1.00 47.47 O ATOM 1699 CG2 THR A 799 16.202 -3.282 21.611 1.00 49.22 C ATOM 1700 HG1 THR A 799 17.000 -3.290 19.158 1.00 0.00 H ATOM 1701 H THR A 799 20.127 -3.093 20.450 1.00 0.00 H ATOM 1702 N PRO A 800 18.214 -2.960 24.384 1.00 52.66 N ATOM 1703 CA PRO A 800 18.323 -3.681 25.661 1.00 53.31 C ATOM 1704 C PRO A 800 17.797 -5.118 25.610 1.00 55.77 C ATOM 1705 O PRO A 800 16.835 -5.400 24.892 1.00 54.64 O ATOM 1706 CB PRO A 800 17.466 -2.837 26.611 1.00 51.30 C ATOM 1707 CG PRO A 800 17.504 -1.474 26.030 1.00 52.54 C ATOM 1708 CD PRO A 800 17.514 -1.672 24.550 1.00 49.31 C ATOM 1709 N TYR A 801 18.464 -6.009 26.344 1.00 58.82 N ATOM 1710 CA TYR A 801 18.003 -7.383 26.576 1.00 56.07 C ATOM 1711 C TYR A 801 17.925 -8.189 25.272 1.00 58.54 C ATOM 1712 O TYR A 801 16.828 -8.520 24.810 1.00 57.73 O ATOM 1713 CB TYR A 801 16.659 -7.386 27.326 1.00 54.21 C ATOM 1714 CG TYR A 801 16.645 -6.535 28.591 1.00 50.65 C ATOM 1715 CD1 TYR A 801 17.263 -6.976 29.757 1.00 49.06 C ATOM 1716 CD2 TYR A 801 16.011 -5.289 28.616 1.00 51.61 C ATOM 1717 CE1 TYR A 801 17.244 -6.207 30.914 1.00 50.57 C ATOM 1718 CE2 TYR A 801 15.993 -4.507 29.764 1.00 46.30 C ATOM 1719 CZ TYR A 801 16.604 -4.967 30.911 1.00 47.88 C ATOM 1720 OH TYR A 801 16.589 -4.193 32.054 1.00 42.67 O ATOM 1721 HH TYR A 801 17.068 -4.668 32.779 1.00 0.00 H ATOM 1722 H TYR A 801 19.362 -5.714 26.777 1.00 0.00 H ATOM 1723 N PRO A 802 19.094 -8.476 24.653 1.00 59.57 N ATOM 1724 CA PRO A 802 19.114 -9.325 23.459 1.00 56.85 C ATOM 1725 C PRO A 802 18.657 -10.751 23.771 1.00 57.33 C ATOM 1726 O PRO A 802 19.009 -11.295 24.812 1.00 53.21 O ATOM 1727 CB PRO A 802 20.584 -9.288 23.008 1.00 57.76 C ATOM 1728 CG PRO A 802 21.355 -8.756 24.159 1.00 54.45 C ATOM 1729 CD PRO A 802 20.416 -7.874 24.915 1.00 58.47 C ATOM 1730 N GLY A 803 17.858 -11.330 22.880 1.00 60.51 N ATOM 1731 CA GLY A 803 17.212 -12.617 23.137 1.00 59.94 C ATOM 1732 C GLY A 803 16.197 -12.588 24.270 1.00 60.33 C ATOM 1733 O GLY A 803 16.069 -13.560 25.012 1.00 62.30 O ATOM 1734 H GLY A 803 17.687 -10.853 21.972 1.00 0.00 H ATOM 1735 N VAL A 804 15.493 -11.464 24.417 1.00 61.77 N ATOM 1736 CA VAL A 804 14.399 -11.329 25.384 1.00 63.56 C ATOM 1737 C VAL A 804 13.285 -10.522 24.720 1.00 64.09 C ATOM 1738 O VAL A 804 13.553 -9.462 24.153 1.00 63.96 O ATOM 1739 CB VAL A 804 14.846 -10.612 26.683 1.00 63.75 C ATOM 1740 CG1 VAL A 804 13.726 -10.625 27.722 1.00 65.27 C ATOM 1741 CG2 VAL A 804 16.104 -11.251 27.260 1.00 63.43 C ATOM 1742 H VAL A 804 15.731 -10.647 23.819 1.00 0.00 H ATOM 1743 N GLN A 805 12.051 -11.021 24.800 1.00 63.79 N ATOM 1744 CA GLN A 805 10.888 -10.348 24.210 1.00 71.69 C ATOM 1745 C GLN A 805 10.233 -9.410 25.222 1.00 73.10 C ATOM 1746 O GLN A 805 10.452 -9.536 26.428 1.00 77.07 O ATOM 1747 CB GLN A 805 9.867 -11.369 23.674 1.00 81.85 C ATOM 1748 CG GLN A 805 9.968 -11.644 22.175 1.00 84.73 C ATOM 1749 CD GLN A 805 11.336 -12.146 21.743 1.00 89.44 C ATOM 1750 OE1 GLN A 805 12.065 -12.762 22.521 1.00 99.49 O ATOM 1751 NE2 GLN A 805 11.691 -11.879 20.492 1.00 89.80 N ATOM 1752 HE22 GLN A 805 11.044 -11.356 19.868 1.00 0.00 H ATOM 1753 HE21 GLN A 805 12.616 -12.193 20.136 1.00 0.00 H ATOM 1754 H GLN A 805 11.907 -11.922 25.300 1.00 0.00 H ATOM 1755 N ASN A 806 9.420 -8.482 24.718 1.00 73.86 N ATOM 1756 CA ASN A 806 8.803 -7.440 25.552 1.00 81.57 C ATOM 1757 C ASN A 806 7.832 -7.987 26.592 1.00 81.12 C ATOM 1758 O ASN A 806 7.873 -7.574 27.749 1.00 78.79 O ATOM 1759 CB ASN A 806 8.090 -6.393 24.685 1.00 86.52 C ATOM 1760 CG ASN A 806 9.055 -5.530 23.891 1.00 83.75 C ATOM 1761 OD1 ASN A 806 10.246 -5.827 23.791 1.00 85.69 O ATOM 1762 ND2 ASN A 806 8.539 -4.454 23.315 1.00 81.89 N ATOM 1763 HD22 ASN A 806 7.527 -4.240 23.425 1.00 0.00 H ATOM 1764 HD21 ASN A 806 9.146 -3.824 22.753 1.00 0.00 H ATOM 1765 H ASN A 806 9.215 -8.495 23.699 1.00 0.00 H ATOM 1766 N HIS A 807 6.963 -8.907 26.176 1.00 86.66 N ATOM 1767 CA HIS A 807 6.073 -9.623 27.111 1.00 88.77 C ATOM 1768 C HIS A 807 6.839 -10.402 28.194 1.00 86.45 C ATOM 1769 O HIS A 807 6.356 -10.552 29.315 1.00 92.04 O ATOM 1770 CB HIS A 807 5.120 -10.574 26.364 1.00 87.00 C ATOM 1771 CG HIS A 807 5.818 -11.647 25.581 1.00 87.00 C ATOM 1772 ND1 HIS A 807 6.010 -11.569 24.218 1.00 91.27 N ATOM 1773 CD2 HIS A 807 6.371 -12.821 25.971 1.00 82.99 C ATOM 1774 CE1 HIS A 807 6.647 -12.650 23.802 1.00 87.75 C ATOM 1775 NE2 HIS A 807 6.885 -13.422 24.847 1.00 81.75 N ATOM 1776 H HIS A 807 6.910 -9.128 25.161 1.00 0.00 H ATOM 1777 N GLU A 808 8.025 -10.892 27.840 1.00 83.53 N ATOM 1778 CA GLU A 808 8.869 -11.673 28.746 1.00 83.68 C ATOM 1779 C GLU A 808 9.569 -10.833 29.829 1.00 76.66 C ATOM 1780 O GLU A 808 10.017 -11.393 30.827 1.00 74.27 O ATOM 1781 CB GLU A 808 9.913 -12.458 27.926 1.00 89.67 C ATOM 1782 CG GLU A 808 10.515 -13.674 28.623 1.00 94.73 C ATOM 1783 CD GLU A 808 11.495 -14.455 27.748 1.00 98.33 C ATOM 1784 OE1 GLU A 808 11.376 -14.416 26.499 1.00 83.09 O ATOM 1785 OE2 GLU A 808 12.390 -15.121 28.319 1.00 92.22 O ATOM 1786 H GLU A 808 8.368 -10.712 26.875 1.00 0.00 H ATOM 1787 N MET A 809 9.649 -9.509 29.647 1.00 74.32 N ATOM 1788 CA MET A 809 10.462 -8.627 30.521 1.00 72.01 C ATOM 1789 C MET A 809 10.139 -8.695 32.013 1.00 72.84 C ATOM 1790 O MET A 809 11.049 -8.832 32.835 1.00 64.48 O ATOM 1791 CB MET A 809 10.374 -7.150 30.072 1.00 69.43 C ATOM 1792 CG MET A 809 11.278 -6.766 28.905 1.00 68.10 C ATOM 1793 SD MET A 809 13.035 -7.120 29.136 1.00 69.73 S ATOM 1794 CE MET A 809 13.357 -6.391 30.741 1.00 69.92 C ATOM 1795 H MET A 809 9.120 -9.081 28.861 1.00 0.00 H ATOM 1796 N TYR A 810 8.856 -8.594 32.360 1.00 76.34 N ATOM 1797 CA TYR A 810 8.445 -8.530 33.769 1.00 82.61 C ATOM 1798 C TYR A 810 8.957 -9.726 34.580 1.00 76.97 C ATOM 1799 O TYR A 810 9.494 -9.546 35.670 1.00 70.52 O ATOM 1800 CB TYR A 810 6.920 -8.392 33.891 1.00 91.11 C ATOM 1801 CG TYR A 810 6.396 -8.334 35.320 1.00103.16 C ATOM 1802 CD1 TYR A 810 7.003 -7.519 36.284 1.00104.02 C ATOM 1803 CD2 TYR A 810 5.276 -9.081 35.704 1.00109.75 C ATOM 1804 CE1 TYR A 810 6.522 -7.463 37.585 1.00109.31 C ATOM 1805 CE2 TYR A 810 4.787 -9.028 37.004 1.00113.88 C ATOM 1806 CZ TYR A 810 5.412 -8.218 37.939 1.00113.26 C ATOM 1807 OH TYR A 810 4.934 -8.166 39.227 1.00120.64 O ATOM 1808 HH TYR A 810 5.491 -7.545 39.760 1.00 0.00 H ATOM 1809 H TYR A 810 8.130 -8.560 31.617 1.00 0.00 H ATOM 1810 N ASP A 811 8.809 -10.928 34.026 1.00 81.50 N ATOM 1811 CA ASP A 811 9.319 -12.152 34.657 1.00 82.70 C ATOM 1812 C ASP A 811 10.846 -12.233 34.643 1.00 70.25 C ATOM 1813 O ASP A 811 11.441 -12.704 35.608 1.00 62.29 O ATOM 1814 CB ASP A 811 8.722 -13.407 34.005 1.00 96.72 C ATOM 1815 CG ASP A 811 7.287 -13.660 34.432 1.00107.56 C ATOM 1816 OD1 ASP A 811 6.383 -12.938 33.961 1.00111.21 O ATOM 1817 OD2 ASP A 811 7.064 -14.586 35.242 1.00120.71 O ATOM 1818 H ASP A 811 8.315 -11.002 33.114 1.00 0.00 H ATOM 1819 N TYR A 812 11.468 -11.777 33.555 1.00 68.74 N ATOM 1820 CA TYR A 812 12.937 -11.720 33.445 1.00 68.75 C ATOM 1821 C TYR A 812 13.543 -10.859 34.563 1.00 67.96 C ATOM 1822 O TYR A 812 14.547 -11.233 35.177 1.00 58.12 O ATOM 1823 CB TYR A 812 13.345 -11.180 32.063 1.00 68.25 C ATOM 1824 CG TYR A 812 14.832 -11.233 31.763 1.00 66.91 C ATOM 1825 CD1 TYR A 812 15.451 -12.434 31.423 1.00 62.25 C ATOM 1826 CD2 TYR A 812 15.617 -10.075 31.798 1.00 62.78 C ATOM 1827 CE1 TYR A 812 16.809 -12.488 31.137 1.00 61.45 C ATOM 1828 CE2 TYR A 812 16.976 -10.121 31.516 1.00 59.25 C ATOM 1829 CZ TYR A 812 17.566 -11.329 31.183 1.00 61.01 C ATOM 1830 OH TYR A 812 18.909 -11.388 30.903 1.00 55.98 O ATOM 1831 HH TYR A 812 19.159 -12.321 30.687 1.00 0.00 H ATOM 1832 H TYR A 812 10.894 -11.449 32.752 1.00 0.00 H ATOM 1833 N LEU A 813 12.912 -9.716 34.825 1.00 68.11 N ATOM 1834 CA LEU A 813 13.315 -8.835 35.921 1.00 74.31 C ATOM 1835 C LEU A 813 12.916 -9.383 37.295 1.00 73.27 C ATOM 1836 O LEU A 813 13.672 -9.231 38.256 1.00 68.37 O ATOM 1837 CB LEU A 813 12.724 -7.434 35.730 1.00 75.13 C ATOM 1838 CG LEU A 813 13.137 -6.673 34.464 1.00 68.65 C ATOM 1839 CD1 LEU A 813 12.260 -5.444 34.274 1.00 60.90 C ATOM 1840 CD2 LEU A 813 14.616 -6.300 34.501 1.00 65.31 C ATOM 1841 H LEU A 813 12.105 -9.440 34.230 1.00 0.00 H ATOM 1842 N LEU A 814 11.743 -10.021 37.379 1.00 81.08 N ATOM 1843 CA LEU A 814 11.240 -10.622 38.639 1.00 82.52 C ATOM 1844 C LEU A 814 12.226 -11.616 39.264 1.00 78.40 C ATOM 1845 O LEU A 814 12.394 -11.642 40.482 1.00 77.00 O ATOM 1846 CB LEU A 814 9.893 -11.339 38.430 1.00 81.35 C ATOM 1847 CG LEU A 814 8.890 -11.202 39.580 1.00 83.81 C ATOM 1848 CD1 LEU A 814 7.999 -9.987 39.360 1.00 82.20 C ATOM 1849 CD2 LEU A 814 8.038 -12.457 39.727 1.00 88.41 C ATOM 1850 H LEU A 814 11.158 -10.099 36.523 1.00 0.00 H ATOM 1851 N HIS A 815 12.869 -12.419 38.414 1.00 81.58 N ATOM 1852 CA HIS A 815 13.877 -13.398 38.840 1.00 81.57 C ATOM 1853 C HIS A 815 15.278 -12.799 39.082 1.00 81.02 C ATOM 1854 O HIS A 815 16.223 -13.538 39.371 1.00 79.88 O ATOM 1855 CB HIS A 815 13.944 -14.557 37.831 1.00 81.84 C ATOM 1856 CG HIS A 815 12.666 -15.336 37.727 1.00 89.98 C ATOM 1857 ND1 HIS A 815 11.733 -15.115 36.736 1.00 92.35 N ATOM 1858 CD2 HIS A 815 12.158 -16.323 38.504 1.00 88.80 C ATOM 1859 CE1 HIS A 815 10.711 -15.936 36.901 1.00 84.58 C ATOM 1860 NE2 HIS A 815 10.943 -16.679 37.967 1.00 83.23 N ATOM 1861 H HIS A 815 12.645 -12.348 37.401 1.00 0.00 H ATOM 1862 N GLY A 816 15.412 -11.475 38.964 1.00 75.68 N ATOM 1863 CA GLY A 816 16.637 -10.764 39.327 1.00 70.40 C ATOM 1864 C GLY A 816 17.673 -10.624 38.226 1.00 68.38 C ATOM 1865 O GLY A 816 18.831 -10.324 38.515 1.00 71.53 O ATOM 1866 H GLY A 816 14.609 -10.925 38.597 1.00 0.00 H ATOM 1867 N HIS A 817 17.274 -10.829 36.969 1.00 71.49 N ATOM 1868 CA HIS A 817 18.192 -10.660 35.838 1.00 71.29 C ATOM 1869 C HIS A 817 18.199 -9.202 35.392 1.00 65.87 C ATOM 1870 O HIS A 817 17.146 -8.547 35.368 1.00 56.46 O ATOM 1871 CB HIS A 817 17.799 -11.541 34.649 1.00 72.89 C ATOM 1872 CG HIS A 817 17.843 -13.008 34.928 1.00 72.44 C ATOM 1873 ND1 HIS A 817 16.706 -13.776 35.056 1.00 70.28 N ATOM 1874 CD2 HIS A 817 18.890 -13.853 35.075 1.00 67.92 C ATOM 1875 CE1 HIS A 817 17.050 -15.029 35.284 1.00 69.08 C ATOM 1876 NE2 HIS A 817 18.369 -15.103 35.299 1.00 72.58 N ATOM 1877 H HIS A 817 16.291 -11.115 36.788 1.00 0.00 H ATOM 1878 N ARG A 818 19.383 -8.717 35.019 1.00 57.95 N ATOM 1879 CA ARG A 818 19.571 -7.339 34.567 1.00 59.04 C ATOM 1880 C ARG A 818 20.385 -7.287 33.270 1.00 59.38 C ATOM 1881 O ARG A 818 20.915 -8.305 32.830 1.00 62.55 O ATOM 1882 CB ARG A 818 20.262 -6.534 35.673 1.00 54.94 C ATOM 1883 CG ARG A 818 19.484 -6.455 36.983 1.00 53.56 C ATOM 1884 CD ARG A 818 18.187 -5.678 36.816 1.00 55.47 C ATOM 1885 NE ARG A 818 17.480 -5.482 38.084 1.00 57.45 N ATOM 1886 CZ ARG A 818 16.568 -6.304 38.613 1.00 63.04 C ATOM 1887 NH1 ARG A 818 16.205 -7.439 38.010 1.00 72.31 N ATOM 1888 NH2 ARG A 818 16.009 -5.988 39.777 1.00 66.98 N ATOM 1889 HE ARG A 818 17.709 -4.623 38.623 1.00 0.00 H ATOM 1890 HH12 ARG A 818 15.492 -8.056 38.449 1.00 0.00 H ATOM 1891 HH11 ARG A 818 16.635 -7.706 37.101 1.00 0.00 H ATOM 1892 HH22 ARG A 818 15.298 -6.618 40.200 1.00 0.00 H ATOM 1893 HH21 ARG A 818 16.283 -5.111 40.264 1.00 0.00 H ATOM 1894 H ARG A 818 20.210 -9.347 35.051 1.00 0.00 H ATOM 1895 N LEU A 819 20.462 -6.106 32.655 1.00 57.41 N ATOM 1896 CA LEU A 819 21.301 -5.894 31.468 1.00 59.02 C ATOM 1897 C LEU A 819 22.743 -6.320 31.737 1.00 59.84 C ATOM 1898 O LEU A 819 23.333 -5.930 32.746 1.00 55.23 O ATOM 1899 CB LEU A 819 21.287 -4.423 31.031 1.00 54.24 C ATOM 1900 CG LEU A 819 19.987 -3.916 30.410 1.00 52.04 C ATOM 1901 CD1 LEU A 819 19.876 -2.403 30.464 1.00 54.24 C ATOM 1902 CD2 LEU A 819 19.853 -4.400 28.975 1.00 52.48 C ATOM 1903 H LEU A 819 19.909 -5.308 33.029 1.00 0.00 H ATOM 1904 N LYS A 820 23.301 -7.115 30.829 1.00 61.16 N ATOM 1905 CA LYS A 820 24.645 -7.656 31.009 1.00 65.46 C ATOM 1906 C LYS A 820 25.707 -6.590 30.772 1.00 58.92 C ATOM 1907 O LYS A 820 25.476 -5.602 30.069 1.00 58.22 O ATOM 1908 CB LYS A 820 24.879 -8.852 30.079 1.00 75.04 C ATOM 1909 CG LYS A 820 24.001 -10.061 30.387 1.00 82.56 C ATOM 1910 CD LYS A 820 24.011 -11.061 29.239 1.00 89.74 C ATOM 1911 CE LYS A 820 23.073 -12.229 29.495 1.00 90.12 C ATOM 1912 NZ LYS A 820 22.835 -13.023 28.257 1.00 88.93 N ATOM 1913 HZ1 LYS A 820 22.409 -12.412 27.531 1.00 0.00 H ATOM 1914 HZ2 LYS A 820 23.740 -13.398 27.908 1.00 0.00 H ATOM 1915 HZ3 LYS A 820 22.191 -13.811 28.470 1.00 0.00 H ATOM 1916 H LYS A 820 22.767 -7.357 29.970 1.00 0.00 H ATOM 1917 N GLN A 821 26.874 -6.811 31.360 1.00 53.11 N ATOM 1918 CA GLN A 821 27.992 -5.883 31.246 1.00 56.37 C ATOM 1919 C GLN A 821 28.535 -5.849 29.807 1.00 57.14 C ATOM 1920 O GLN A 821 28.909 -6.893 29.286 1.00 57.90 O ATOM 1921 CB GLN A 821 29.094 -6.298 32.217 1.00 55.64 C ATOM 1922 CG GLN A 821 30.246 -5.314 32.321 1.00 55.72 C ATOM 1923 CD GLN A 821 31.176 -5.610 33.481 1.00 56.23 C ATOM 1924 OE1 GLN A 821 30.907 -6.485 34.309 1.00 58.04 O ATOM 1925 NE2 GLN A 821 32.283 -4.879 33.545 1.00 56.35 N ATOM 1926 HE22 GLN A 821 32.469 -4.152 32.825 1.00 0.00 H ATOM 1927 HE21 GLN A 821 32.964 -5.033 34.315 1.00 0.00 H ATOM 1928 H GLN A 821 26.996 -7.677 31.923 1.00 0.00 H ATOM 1929 N PRO A 822 28.562 -4.658 29.155 1.00 64.31 N ATOM 1930 CA PRO A 822 29.137 -4.539 27.796 1.00 62.61 C ATOM 1931 C PRO A 822 30.627 -4.906 27.685 1.00 69.09 C ATOM 1932 O PRO A 822 31.288 -5.116 28.703 1.00 65.30 O ATOM 1933 CB PRO A 822 28.897 -3.065 27.437 1.00 61.94 C ATOM 1934 CG PRO A 822 27.729 -2.667 28.271 1.00 62.70 C ATOM 1935 CD PRO A 822 27.887 -3.406 29.558 1.00 61.94 C ATOM 1936 N GLU A 823 31.134 -4.941 26.449 1.00 82.86 N ATOM 1937 CA GLU A 823 32.378 -5.654 26.102 1.00 88.33 C ATOM 1938 C GLU A 823 33.634 -5.122 26.799 1.00 85.30 C ATOM 1939 O GLU A 823 34.139 -5.763 27.719 1.00 81.53 O ATOM 1940 CB GLU A 823 32.576 -5.701 24.569 1.00104.55 C ATOM 1941 CG GLU A 823 33.666 -6.660 24.096 1.00112.53 C ATOM 1942 CD GLU A 823 33.763 -6.753 22.579 1.00116.82 C ATOM 1943 OE1 GLU A 823 34.817 -6.375 22.025 1.00114.25 O ATOM 1944 OE2 GLU A 823 32.789 -7.203 21.937 1.00111.92 O ATOM 1945 H GLU A 823 30.625 -4.440 25.693 1.00 0.00 H ATOM 1946 N ASP A 824 34.128 -3.961 26.373 1.00 95.72 N ATOM 1947 CA ASP A 824 35.382 -3.402 26.896 1.00106.54 C ATOM 1948 C ASP A 824 35.053 -2.264 27.867 1.00 99.64 C ATOM 1949 O ASP A 824 35.650 -1.181 27.813 1.00103.95 O ATOM 1950 CB ASP A 824 36.274 -2.926 25.738 1.00112.71 C ATOM 1951 CG ASP A 824 36.701 -4.067 24.817 1.00111.83 C ATOM 1952 OD1 ASP A 824 37.387 -4.997 25.296 1.00107.28 O ATOM 1953 OD2 ASP A 824 36.357 -4.032 23.615 1.00111.30 O ATOM 1954 H ASP A 824 33.608 -3.431 25.645 1.00 0.00 H ATOM 1955 N CYS A 825 34.123 -2.554 28.779 1.00 82.74 N ATOM 1956 CA CYS A 825 33.476 -1.553 29.630 1.00 71.18 C ATOM 1957 C CYS A 825 33.850 -1.793 31.084 1.00 66.42 C ATOM 1958 O CYS A 825 33.798 -2.927 31.569 1.00 57.81 O ATOM 1959 CB CYS A 825 31.955 -1.629 29.422 1.00 68.04 C ATOM 1960 SG CYS A 825 30.928 -0.864 30.706 1.00 57.95 S ATOM 1961 H CYS A 825 33.841 -3.549 28.892 1.00 0.00 H ATOM 1962 N LEU A 826 34.218 -0.712 31.770 1.00 62.11 N ATOM 1963 CA LEU A 826 34.844 -0.797 33.087 1.00 57.50 C ATOM 1964 C LEU A 826 33.877 -1.287 34.151 1.00 59.59 C ATOM 1965 O LEU A 826 32.667 -1.057 34.060 1.00 65.51 O ATOM 1966 CB LEU A 826 35.402 0.559 33.502 1.00 59.06 C ATOM 1967 CG LEU A 826 36.475 1.160 32.593 1.00 64.75 C ATOM 1968 CD1 LEU A 826 36.755 2.594 33.008 1.00 65.97 C ATOM 1969 CD2 LEU A 826 37.750 0.328 32.619 1.00 68.23 C ATOM 1970 H LEU A 826 34.054 0.226 31.353 1.00 0.00 H ATOM 1971 N ASP A 827 34.425 -1.972 35.152 1.00 60.73 N ATOM 1972 CA ASP A 827 33.638 -2.485 36.278 1.00 63.02 C ATOM 1973 C ASP A 827 33.045 -1.340 37.101 1.00 59.02 C ATOM 1974 O ASP A 827 31.939 -1.458 37.634 1.00 48.64 O ATOM 1975 CB ASP A 827 34.502 -3.378 37.179 1.00 68.54 C ATOM 1976 CG ASP A 827 35.030 -4.615 36.457 1.00 74.64 C ATOM 1977 OD1 ASP A 827 34.221 -5.363 35.871 1.00 75.49 O ATOM 1978 OD2 ASP A 827 36.257 -4.840 36.482 1.00 82.71 O ATOM 1979 H ASP A 827 35.450 -2.150 35.135 1.00 0.00 H ATOM 1980 N GLU A 828 33.788 -0.235 37.177 1.00 61.22 N ATOM 1981 CA GLU A 828 33.371 0.966 37.906 1.00 61.72 C ATOM 1982 C GLU A 828 32.127 1.564 37.253 1.00 60.49 C ATOM 1983 O GLU A 828 31.176 1.955 37.941 1.00 62.38 O ATOM 1984 CB GLU A 828 34.489 2.021 37.932 1.00 63.63 C ATOM 1985 CG GLU A 828 35.795 1.596 38.601 1.00 73.12 C ATOM 1986 CD GLU A 828 36.808 0.994 37.631 1.00 82.32 C ATOM 1987 OE1 GLU A 828 36.728 -0.228 37.358 1.00 80.50 O ATOM 1988 OE2 GLU A 828 37.686 1.740 37.143 1.00 81.02 O ATOM 1989 H GLU A 828 34.709 -0.225 36.695 1.00 0.00 H ATOM 1990 N LEU A 829 32.142 1.621 35.924 1.00 52.34 N ATOM 1991 CA LEU A 829 30.995 2.092 35.155 1.00 51.95 C ATOM 1992 C LEU A 829 29.795 1.149 35.283 1.00 51.68 C ATOM 1993 O LEU A 829 28.658 1.605 35.445 1.00 51.60 O ATOM 1994 CB LEU A 829 31.376 2.259 33.682 1.00 49.74 C ATOM 1995 CG LEU A 829 30.313 2.772 32.708 1.00 50.84 C ATOM 1996 CD1 LEU A 829 29.690 4.078 33.184 1.00 51.60 C ATOM 1997 CD2 LEU A 829 30.923 2.946 31.323 1.00 50.66 C ATOM 1998 H LEU A 829 32.999 1.320 35.417 1.00 0.00 H ATOM 1999 N TYR A 830 30.043 -0.156 35.216 1.00 46.59 N ATOM 2000 CA TYR A 830 28.953 -1.119 35.315 1.00 44.47 C ATOM 2001 C TYR A 830 28.322 -1.098 36.708 1.00 45.04 C ATOM 2002 O TYR A 830 27.110 -1.248 36.831 1.00 43.83 O ATOM 2003 CB TYR A 830 29.396 -2.533 34.913 1.00 44.61 C ATOM 2004 CG TYR A 830 28.240 -3.508 34.889 1.00 42.70 C ATOM 2005 CD1 TYR A 830 27.208 -3.369 33.964 1.00 40.23 C ATOM 2006 CD2 TYR A 830 28.158 -4.549 35.816 1.00 40.29 C ATOM 2007 CE1 TYR A 830 26.134 -4.249 33.957 1.00 41.57 C ATOM 2008 CE2 TYR A 830 27.085 -5.422 35.822 1.00 38.85 C ATOM 2009 CZ TYR A 830 26.079 -5.272 34.892 1.00 40.01 C ATOM 2010 OH TYR A 830 25.026 -6.151 34.899 1.00 42.45 O ATOM 2011 HH TYR A 830 24.393 -5.912 34.176 1.00 0.00 H ATOM 2012 H TYR A 830 31.020 -0.491 35.092 1.00 0.00 H ATOM 2013 N GLU A 831 29.145 -0.917 37.744 1.00 49.22 N ATOM 2014 CA GLU A 831 28.650 -0.703 39.113 1.00 51.12 C ATOM 2015 C GLU A 831 27.602 0.416 39.158 1.00 49.94 C ATOM 2016 O GLU A 831 26.534 0.256 39.759 1.00 39.70 O ATOM 2017 CB GLU A 831 29.799 -0.380 40.097 1.00 61.17 C ATOM 2018 CG GLU A 831 30.265 -1.554 40.971 1.00 74.56 C ATOM 2019 CD GLU A 831 31.739 -1.925 40.785 1.00 92.92 C ATOM 2020 OE1 GLU A 831 32.614 -1.047 40.983 1.00105.92 O ATOM 2021 OE2 GLU A 831 32.034 -3.103 40.471 1.00 96.74 O ATOM 2022 H GLU A 831 30.172 -0.928 37.577 1.00 0.00 H ATOM 2023 N ILE A 832 27.912 1.538 38.507 1.00 50.98 N ATOM 2024 CA ILE A 832 27.032 2.712 38.522 1.00 46.96 C ATOM 2025 C ILE A 832 25.689 2.411 37.841 1.00 51.44 C ATOM 2026 O ILE A 832 24.637 2.632 38.444 1.00 53.20 O ATOM 2027 CB ILE A 832 27.691 3.945 37.863 1.00 43.30 C ATOM 2028 CG1 ILE A 832 28.914 4.392 38.666 1.00 43.01 C ATOM 2029 CG2 ILE A 832 26.715 5.114 37.799 1.00 41.39 C ATOM 2030 CD1 ILE A 832 29.898 5.229 37.875 1.00 43.50 C ATOM 2031 H ILE A 832 28.803 1.582 37.973 1.00 0.00 H ATOM 2032 N MET A 833 25.725 1.893 36.609 1.00 51.40 N ATOM 2033 CA MET A 833 24.483 1.567 35.894 1.00 51.06 C ATOM 2034 C MET A 833 23.696 0.435 36.559 1.00 53.18 C ATOM 2035 O MET A 833 22.469 0.482 36.587 1.00 61.96 O ATOM 2036 CB MET A 833 24.717 1.281 34.402 1.00 54.88 C ATOM 2037 CG MET A 833 25.528 0.048 34.044 1.00 58.81 C ATOM 2038 SD MET A 833 25.607 -0.217 32.251 1.00 61.82 S ATOM 2039 CE MET A 833 26.856 0.977 31.780 1.00 56.60 C ATOM 2040 H MET A 833 26.642 1.719 36.151 1.00 0.00 H ATOM 2041 N TYR A 834 24.392 -0.562 37.110 1.00 53.56 N ATOM 2042 CA TYR A 834 23.730 -1.642 37.854 1.00 53.65 C ATOM 2043 C TYR A 834 22.961 -1.124 39.068 1.00 52.06 C ATOM 2044 O TYR A 834 21.853 -1.599 39.343 1.00 56.84 O ATOM 2045 CB TYR A 834 24.725 -2.725 38.289 1.00 59.21 C ATOM 2046 CG TYR A 834 24.074 -4.017 38.771 1.00 62.31 C ATOM 2047 CD1 TYR A 834 23.667 -4.996 37.862 1.00 62.54 C ATOM 2048 CD2 TYR A 834 23.888 -4.269 40.133 1.00 62.40 C ATOM 2049 CE1 TYR A 834 23.085 -6.178 38.293 1.00 65.73 C ATOM 2050 CE2 TYR A 834 23.307 -5.451 40.575 1.00 64.02 C ATOM 2051 CZ TYR A 834 22.907 -6.405 39.652 1.00 71.30 C ATOM 2052 OH TYR A 834 22.324 -7.583 40.080 1.00 70.21 O ATOM 2053 HH TYR A 834 22.102 -8.144 39.295 1.00 0.00 H ATOM 2054 H TYR A 834 25.427 -0.574 37.010 1.00 0.00 H ATOM 2055 N SER A 835 23.531 -0.141 39.767 1.00 48.62 N ATOM 2056 CA SER A 835 22.877 0.477 40.931 1.00 48.53 C ATOM 2057 C SER A 835 21.536 1.148 40.607 1.00 47.64 C ATOM 2058 O SER A 835 20.692 1.294 41.493 1.00 55.19 O ATOM 2059 CB SER A 835 23.799 1.497 41.594 1.00 50.80 C ATOM 2060 OG SER A 835 23.877 2.685 40.831 1.00 55.84 O ATOM 2061 HG SER A 835 24.232 2.475 39.931 1.00 0.00 H ATOM 2062 H SER A 835 24.470 0.200 39.479 1.00 0.00 H ATOM 2063 N CYS A 836 21.347 1.563 39.354 1.00 45.27 N ATOM 2064 CA CYS A 836 20.062 2.078 38.899 1.00 43.90 C ATOM 2065 C CYS A 836 18.950 1.034 38.843 1.00 47.04 C ATOM 2066 O CYS A 836 17.773 1.405 38.838 1.00 52.29 O ATOM 2067 CB CYS A 836 20.191 2.704 37.518 1.00 45.09 C ATOM 2068 SG CYS A 836 21.438 3.992 37.420 1.00 50.76 S ATOM 2069 H CYS A 836 22.140 1.518 38.682 1.00 0.00 H ATOM 2070 N TRP A 837 19.298 -0.249 38.766 1.00 48.37 N ATOM 2071 CA TRP A 837 18.290 -1.298 38.599 1.00 50.23 C ATOM 2072 C TRP A 837 18.017 -2.153 39.841 1.00 53.16 C ATOM 2073 O TRP A 837 17.470 -3.252 39.714 1.00 57.60 O ATOM 2074 CB TRP A 837 18.654 -2.205 37.432 1.00 50.61 C ATOM 2075 CG TRP A 837 19.124 -1.487 36.221 1.00 51.67 C ATOM 2076 CD1 TRP A 837 18.518 -0.441 35.602 1.00 51.25 C ATOM 2077 CD2 TRP A 837 20.295 -1.790 35.456 1.00 50.35 C ATOM 2078 NE1 TRP A 837 19.248 -0.058 34.499 1.00 53.66 N ATOM 2079 CE2 TRP A 837 20.346 -0.871 34.390 1.00 51.14 C ATOM 2080 CE3 TRP A 837 21.304 -2.756 35.568 1.00 46.00 C ATOM 2081 CZ2 TRP A 837 21.379 -0.879 33.443 1.00 51.78 C ATOM 2082 CZ3 TRP A 837 22.329 -2.763 34.632 1.00 47.99 C ATOM 2083 CH2 TRP A 837 22.360 -1.827 33.582 1.00 49.69 C ATOM 2084 HE1 TRP A 837 19.006 0.721 33.854 1.00 0.00 H ATOM 2085 H TRP A 837 20.303 -0.511 38.825 1.00 0.00 H ATOM 2086 N ARG A 838 18.355 -1.663 41.034 1.00 54.67 N ATOM 2087 CA ARG A 838 18.054 -2.409 42.256 1.00 56.38 C ATOM 2088 C ARG A 838 16.539 -2.540 42.414 1.00 63.84 C ATOM 2089 O ARG A 838 15.783 -1.658 41.984 1.00 57.96 O ATOM 2090 CB ARG A 838 18.694 -1.761 43.480 1.00 59.88 C ATOM 2091 CG ARG A 838 20.217 -1.775 43.430 1.00 77.67 C ATOM 2092 CD ARG A 838 20.850 -1.811 44.813 1.00 93.99 C ATOM 2093 NE ARG A 838 22.272 -1.444 44.791 1.00107.00 N ATOM 2094 CZ ARG A 838 22.763 -0.198 44.789 1.00104.40 C ATOM 2095 NH1 ARG A 838 21.968 0.871 44.796 1.00101.19 N ATOM 2096 NH2 ARG A 838 24.082 -0.015 44.773 1.00109.60 N ATOM 2097 HE ARG A 838 22.961 -2.223 44.776 1.00 0.00 H ATOM 2098 HH12 ARG A 838 22.380 1.826 44.794 1.00 0.00 H ATOM 2099 HH11 ARG A 838 20.935 0.751 44.803 1.00 0.00 H ATOM 2100 HH22 ARG A 838 24.473 0.949 44.771 1.00 0.00 H ATOM 2101 HH21 ARG A 838 24.721 -0.836 44.762 1.00 0.00 H ATOM 2102 H ARG A 838 18.836 -0.743 41.096 1.00 0.00 H ATOM 2103 N THR A 839 16.102 -3.662 42.991 1.00 67.46 N ATOM 2104 CA THR A 839 14.674 -4.008 43.060 1.00 67.06 C ATOM 2105 C THR A 839 13.878 -2.956 43.826 1.00 65.93 C ATOM 2106 O THR A 839 12.825 -2.505 43.365 1.00 56.33 O ATOM 2107 CB THR A 839 14.450 -5.387 43.723 1.00 69.91 C ATOM 2108 OG1 THR A 839 15.370 -6.343 43.180 1.00 66.42 O ATOM 2109 CG2 THR A 839 13.013 -5.879 43.504 1.00 67.09 C ATOM 2110 HG1 THR A 839 15.221 -7.223 43.609 1.00 0.00 H ATOM 2111 H THR A 839 16.796 -4.315 43.407 1.00 0.00 H ATOM 2112 N ASP A 840 14.405 -2.576 44.989 1.00 75.11 N ATOM 2113 CA ASP A 840 13.817 -1.538 45.838 1.00 80.91 C ATOM 2114 C ASP A 840 14.184 -0.160 45.275 1.00 74.80 C ATOM 2115 O ASP A 840 15.370 0.149 45.155 1.00 75.44 O ATOM 2116 CB ASP A 840 14.353 -1.686 47.270 1.00 88.47 C ATOM 2117 CG ASP A 840 13.603 -0.833 48.292 1.00 95.77 C ATOM 2118 OD1 ASP A 840 12.666 -0.083 47.936 1.00 93.05 O ATOM 2119 OD2 ASP A 840 13.969 -0.924 49.481 1.00103.36 O ATOM 2120 H ASP A 840 15.278 -3.040 45.310 1.00 0.00 H ATOM 2121 N PRO A 841 13.179 0.669 44.924 1.00 69.71 N ATOM 2122 CA PRO A 841 13.487 2.017 44.426 1.00 71.80 C ATOM 2123 C PRO A 841 14.380 2.843 45.349 1.00 75.22 C ATOM 2124 O PRO A 841 15.273 3.544 44.871 1.00 75.61 O ATOM 2125 CB PRO A 841 12.106 2.665 44.307 1.00 73.31 C ATOM 2126 CG PRO A 841 11.194 1.524 44.033 1.00 70.57 C ATOM 2127 CD PRO A 841 11.736 0.375 44.829 1.00 69.76 C ATOM 2128 N LEU A 842 14.162 2.721 46.658 1.00 79.80 N ATOM 2129 CA LEU A 842 14.890 3.520 47.650 1.00 75.66 C ATOM 2130 C LEU A 842 16.370 3.155 47.736 1.00 69.09 C ATOM 2131 O LEU A 842 17.170 3.960 48.209 1.00 66.51 O ATOM 2132 CB LEU A 842 14.236 3.405 49.038 1.00 84.46 C ATOM 2133 CG LEU A 842 12.727 3.699 49.161 1.00 87.36 C ATOM 2134 CD1 LEU A 842 12.298 3.672 50.621 1.00 83.44 C ATOM 2135 CD2 LEU A 842 12.341 5.023 48.512 1.00 80.00 C ATOM 2136 H LEU A 842 13.452 2.036 46.987 1.00 0.00 H ATOM 2137 N ASP A 843 16.733 1.953 47.282 1.00 70.48 N ATOM 2138 CA ASP A 843 18.140 1.548 47.208 1.00 74.04 C ATOM 2139 C ASP A 843 18.910 2.206 46.057 1.00 69.41 C ATOM 2140 O ASP A 843 20.143 2.264 46.105 1.00 66.15 O ATOM 2141 CB ASP A 843 18.279 0.020 47.105 1.00 81.19 C ATOM 2142 CG ASP A 843 17.810 -0.712 48.362 1.00 86.21 C ATOM 2143 OD1 ASP A 843 17.362 -0.063 49.333 1.00 92.94 O ATOM 2144 OD2 ASP A 843 17.892 -1.959 48.370 1.00 86.88 O ATOM 2145 H ASP A 843 15.998 1.286 46.972 1.00 0.00 H ATOM 2146 N ARG A 844 18.203 2.678 45.027 1.00 63.84 N ATOM 2147 CA ARG A 844 18.851 3.340 43.887 1.00 56.96 C ATOM 2148 C ARG A 844 19.411 4.705 44.307 1.00 60.37 C ATOM 2149 O ARG A 844 18.863 5.337 45.217 1.00 54.81 O ATOM 2150 CB ARG A 844 17.874 3.535 42.732 1.00 52.49 C ATOM 2151 CG ARG A 844 17.388 2.244 42.107 1.00 50.82 C ATOM 2152 CD ARG A 844 16.049 2.391 41.385 1.00 51.46 C ATOM 2153 NE ARG A 844 15.315 1.119 41.381 1.00 55.22 N ATOM 2154 CZ ARG A 844 14.086 0.930 40.893 1.00 55.87 C ATOM 2155 NH1 ARG A 844 13.410 1.921 40.315 1.00 53.20 N ATOM 2156 NH2 ARG A 844 13.536 -0.282 40.969 1.00 53.66 N ATOM 2157 HE ARG A 844 15.794 0.293 41.794 1.00 0.00 H ATOM 2158 HH12 ARG A 844 12.454 1.750 39.942 1.00 0.00 H ATOM 2159 HH11 ARG A 844 13.838 2.866 40.236 1.00 0.00 H ATOM 2160 HH22 ARG A 844 12.580 -0.444 40.593 1.00 0.00 H ATOM 2161 HH21 ARG A 844 14.063 -1.066 41.404 1.00 0.00 H ATOM 2162 H ARG A 844 17.168 2.574 45.032 1.00 0.00 H ATOM 2163 N PRO A 845 20.512 5.155 43.658 1.00 61.93 N ATOM 2164 CA PRO A 845 21.043 6.498 43.925 1.00 56.80 C ATOM 2165 C PRO A 845 20.210 7.589 43.263 1.00 57.04 C ATOM 2166 O PRO A 845 19.434 7.306 42.347 1.00 63.65 O ATOM 2167 CB PRO A 845 22.438 6.453 43.304 1.00 56.67 C ATOM 2168 CG PRO A 845 22.335 5.445 42.217 1.00 58.31 C ATOM 2169 CD PRO A 845 21.348 4.419 42.688 1.00 56.90 C ATOM 2170 N THR A 846 20.360 8.820 43.747 1.00 58.35 N ATOM 2171 CA THR A 846 19.724 9.985 43.130 1.00 53.81 C ATOM 2172 C THR A 846 20.555 10.411 41.927 1.00 54.40 C ATOM 2173 O THR A 846 21.716 10.001 41.788 1.00 55.68 O ATOM 2174 CB THR A 846 19.597 11.182 44.108 1.00 50.85 C ATOM 2175 OG1 THR A 846 20.893 11.564 44.596 1.00 54.14 O ATOM 2176 CG2 THR A 846 18.707 10.835 45.279 1.00 44.34 C ATOM 2177 HG1 THR A 846 21.467 11.827 43.834 1.00 0.00 H ATOM 2178 H THR A 846 20.949 8.959 44.593 1.00 0.00 H ATOM 2179 N PHE A 847 19.957 11.227 41.061 1.00 53.54 N ATOM 2180 CA PHE A 847 20.667 11.763 39.888 1.00 49.09 C ATOM 2181 C PHE A 847 21.900 12.581 40.255 1.00 44.86 C ATOM 2182 O PHE A 847 22.882 12.560 39.518 1.00 44.92 O ATOM 2183 CB PHE A 847 19.731 12.584 38.995 1.00 46.67 C ATOM 2184 CG PHE A 847 18.793 11.743 38.175 1.00 42.90 C ATOM 2185 CD1 PHE A 847 19.289 10.942 37.156 1.00 41.81 C ATOM 2186 CD2 PHE A 847 17.419 11.747 38.416 1.00 39.98 C ATOM 2187 CE1 PHE A 847 18.439 10.154 36.395 1.00 41.35 C ATOM 2188 CE2 PHE A 847 16.561 10.965 37.653 1.00 40.00 C ATOM 2189 CZ PHE A 847 17.074 10.163 36.641 1.00 40.74 C ATOM 2190 H PHE A 847 18.964 11.492 41.217 1.00 0.00 H ATOM 2191 N SER A 848 21.850 13.280 41.387 1.00 44.92 N ATOM 2192 CA SER A 848 23.009 14.029 41.886 1.00 49.17 C ATOM 2193 C SER A 848 24.133 13.089 42.369 1.00 47.78 C ATOM 2194 O SER A 848 25.313 13.348 42.113 1.00 43.60 O ATOM 2195 CB SER A 848 22.592 15.003 42.995 1.00 45.31 C ATOM 2196 OG SER A 848 21.878 14.327 44.004 1.00 52.35 O ATOM 2197 HG SER A 848 21.066 13.917 43.614 1.00 0.00 H ATOM 2198 H SER A 848 20.965 13.296 41.933 1.00 0.00 H ATOM 2199 N VAL A 849 23.772 12.005 43.054 1.00 45.19 N ATOM 2200 CA VAL A 849 24.758 10.979 43.405 1.00 49.34 C ATOM 2201 C VAL A 849 25.371 10.404 42.126 1.00 50.20 C ATOM 2202 O VAL A 849 26.597 10.327 42.006 1.00 44.49 O ATOM 2203 CB VAL A 849 24.154 9.848 44.275 1.00 52.64 C ATOM 2204 CG1 VAL A 849 25.086 8.640 44.349 1.00 49.41 C ATOM 2205 CG2 VAL A 849 23.858 10.362 45.680 1.00 54.94 C ATOM 2206 H VAL A 849 22.780 11.886 43.343 1.00 0.00 H ATOM 2207 N LEU A 850 24.506 10.028 41.180 1.00 47.15 N ATOM 2208 CA LEU A 850 24.938 9.489 39.890 1.00 43.58 C ATOM 2209 C LEU A 850 25.848 10.443 39.135 1.00 46.06 C ATOM 2210 O LEU A 850 26.868 10.034 38.583 1.00 50.24 O ATOM 2211 CB LEU A 850 23.735 9.147 39.007 1.00 43.25 C ATOM 2212 CG LEU A 850 23.004 7.845 39.330 1.00 46.14 C ATOM 2213 CD1 LEU A 850 21.642 7.816 38.651 1.00 43.00 C ATOM 2214 CD2 LEU A 850 23.841 6.635 38.929 1.00 45.83 C ATOM 2215 H LEU A 850 23.487 10.122 41.367 1.00 0.00 H ATOM 2216 N ARG A 851 25.473 11.716 39.116 1.00 48.62 N ATOM 2217 CA ARG A 851 26.233 12.723 38.392 1.00 49.05 C ATOM 2218 C ARG A 851 27.666 12.836 38.929 1.00 49.76 C ATOM 2219 O ARG A 851 28.607 12.930 38.145 1.00 46.76 O ATOM 2220 CB ARG A 851 25.498 14.069 38.429 1.00 48.27 C ATOM 2221 CG ARG A 851 26.133 15.171 37.589 1.00 49.22 C ATOM 2222 CD ARG A 851 27.073 16.041 38.396 1.00 48.46 C ATOM 2223 NE ARG A 851 26.386 16.628 39.540 1.00 50.99 N ATOM 2224 CZ ARG A 851 26.969 17.076 40.651 1.00 50.22 C ATOM 2225 NH1 ARG A 851 28.290 17.024 40.819 1.00 51.20 N ATOM 2226 NH2 ARG A 851 26.209 17.583 41.612 1.00 51.25 N ATOM 2227 HE ARG A 851 25.350 16.704 39.484 1.00 0.00 H ATOM 2228 HH12 ARG A 851 28.717 17.381 41.697 1.00 0.00 H ATOM 2229 HH11 ARG A 851 28.894 16.626 40.072 1.00 0.00 H ATOM 2230 HH22 ARG A 851 26.645 17.938 42.487 1.00 0.00 H ATOM 2231 HH21 ARG A 851 25.177 17.626 41.491 1.00 0.00 H ATOM 2232 H ARG A 851 24.615 12.000 39.631 1.00 0.00 H ATOM 2233 N LEU A 852 27.831 12.821 40.254 1.00 50.65 N ATOM 2234 CA LEU A 852 29.166 12.941 40.851 1.00 51.75 C ATOM 2235 C LEU A 852 30.022 11.718 40.561 1.00 48.85 C ATOM 2236 O LEU A 852 31.199 11.854 40.238 1.00 46.06 O ATOM 2237 CB LEU A 852 29.094 13.194 42.363 1.00 50.95 C ATOM 2238 CG LEU A 852 30.426 13.432 43.093 1.00 47.15 C ATOM 2239 CD1 LEU A 852 31.285 14.487 42.407 1.00 46.32 C ATOM 2240 CD2 LEU A 852 30.170 13.821 44.537 1.00 46.65 C ATOM 2241 H LEU A 852 27.001 12.723 40.872 1.00 0.00 H ATOM 2242 N GLN A 853 29.417 10.537 40.661 1.00 49.89 N ATOM 2243 CA GLN A 853 30.095 9.272 40.332 1.00 46.00 C ATOM 2244 C GLN A 853 30.621 9.228 38.902 1.00 48.31 C ATOM 2245 O GLN A 853 31.741 8.779 38.662 1.00 52.72 O ATOM 2246 CB GLN A 853 29.160 8.094 40.557 1.00 47.49 C ATOM 2247 CG GLN A 853 28.925 7.783 42.020 1.00 53.20 C ATOM 2248 CD GLN A 853 27.824 6.764 42.217 1.00 57.55 C ATOM 2249 OE1 GLN A 853 26.705 6.916 41.709 1.00 65.41 O ATOM 2250 NE2 GLN A 853 28.135 5.707 42.940 1.00 66.08 N ATOM 2251 HE22 GLN A 853 29.087 5.618 43.349 1.00 0.00 H ATOM 2252 HE21 GLN A 853 27.428 4.961 43.102 1.00 0.00 H ATOM 2253 H GLN A 853 28.429 10.506 40.983 1.00 0.00 H ATOM 2254 N LEU A 854 29.812 9.703 37.962 1.00 51.11 N ATOM 2255 CA LEU A 854 30.213 9.767 36.553 1.00 49.49 C ATOM 2256 C LEU A 854 31.274 10.834 36.296 1.00 48.56 C ATOM 2257 O LEU A 854 32.216 10.591 35.539 1.00 51.12 O ATOM 2258 CB LEU A 854 28.994 10.013 35.655 1.00 49.34 C ATOM 2259 CG LEU A 854 27.951 8.897 35.674 1.00 46.72 C ATOM 2260 CD1 LEU A 854 26.660 9.351 35.020 1.00 44.77 C ATOM 2261 CD2 LEU A 854 28.489 7.646 34.991 1.00 50.87 C ATOM 2262 H LEU A 854 28.866 10.040 38.233 1.00 0.00 H ATOM 2263 N GLU A 855 31.120 12.003 36.922 1.00 51.71 N ATOM 2264 CA GLU A 855 32.117 13.078 36.814 1.00 57.75 C ATOM 2265 C GLU A 855 33.496 12.647 37.334 1.00 60.10 C ATOM 2266 O GLU A 855 34.500 12.875 36.660 1.00 53.26 O ATOM 2267 CB GLU A 855 31.660 14.348 37.540 1.00 62.14 C ATOM 2268 CG GLU A 855 30.670 15.192 36.748 1.00 66.78 C ATOM 2269 CD GLU A 855 30.243 16.467 37.472 1.00 74.07 C ATOM 2270 OE1 GLU A 855 30.253 16.494 38.729 1.00 67.65 O ATOM 2271 OE2 GLU A 855 29.877 17.447 36.777 1.00 69.75 O ATOM 2272 H GLU A 855 30.271 12.158 37.502 1.00 0.00 H ATOM 2273 N LYS A 856 33.539 12.015 38.509 1.00 61.87 N ATOM 2274 CA LYS A 856 34.814 11.569 39.086 1.00 66.55 C ATOM 2275 C LYS A 856 35.430 10.393 38.329 1.00 71.28 C ATOM 2276 O LYS A 856 36.656 10.315 38.215 1.00 75.66 O ATOM 2277 CB LYS A 856 34.689 11.224 40.571 1.00 70.58 C ATOM 2278 CG LYS A 856 36.050 11.101 41.258 1.00 85.46 C ATOM 2279 CD LYS A 856 36.044 11.565 42.709 1.00 98.57 C ATOM 2280 CE LYS A 856 37.447 11.899 43.201 1.00 98.20 C ATOM 2281 NZ LYS A 856 37.449 12.357 44.617 1.00100.02 N ATOM 2282 HZ1 LYS A 856 36.862 13.211 44.705 1.00 0.00 H ATOM 2283 HZ2 LYS A 856 37.062 11.606 45.224 1.00 0.00 H ATOM 2284 HZ3 LYS A 856 38.424 12.573 44.909 1.00 0.00 H ATOM 2285 H LYS A 856 32.654 11.835 39.025 1.00 0.00 H ATOM 2286 N LEU A 857 34.591 9.487 37.819 1.00 69.09 N ATOM 2287 CA LEU A 857 35.063 8.407 36.945 1.00 61.64 C ATOM 2288 C LEU A 857 35.692 8.976 35.674 1.00 58.05 C ATOM 2289 O LEU A 857 36.760 8.523 35.251 1.00 61.25 O ATOM 2290 CB LEU A 857 33.925 7.441 36.587 1.00 65.52 C ATOM 2291 CG LEU A 857 34.286 6.218 35.722 1.00 68.83 C ATOM 2292 CD1 LEU A 857 35.328 5.337 36.401 1.00 69.89 C ATOM 2293 CD2 LEU A 857 33.045 5.408 35.384 1.00 68.63 C ATOM 2294 H LEU A 857 33.578 9.549 38.047 1.00 0.00 H ATOM 2295 N LEU A 858 35.035 9.971 35.081 1.00 57.50 N ATOM 2296 CA LEU A 858 35.570 10.659 33.910 1.00 60.07 C ATOM 2297 C LEU A 858 36.925 11.296 34.211 1.00 62.76 C ATOM 2298 O LEU A 858 37.867 11.126 33.439 1.00 64.94 O ATOM 2299 CB LEU A 858 34.577 11.706 33.394 1.00 60.62 C ATOM 2300 CG LEU A 858 34.965 12.540 32.161 1.00 61.87 C ATOM 2301 CD1 LEU A 858 35.520 11.684 31.029 1.00 61.77 C ATOM 2302 CD2 LEU A 858 33.760 13.339 31.679 1.00 59.59 C ATOM 2303 H LEU A 858 34.114 10.266 35.463 1.00 0.00 H ATOM 2304 N GLU A 859 37.030 11.991 35.345 1.00 72.54 N ATOM 2305 CA GLU A 859 38.289 12.652 35.740 1.00 81.65 C ATOM 2306 C GLU A 859 39.467 11.693 35.944 1.00 75.64 C ATOM 2307 O GLU A 859 40.619 12.096 35.768 1.00 74.43 O ATOM 2308 CB GLU A 859 38.118 13.495 37.020 1.00 93.55 C ATOM 2309 CG GLU A 859 37.116 14.655 36.986 1.00108.69 C ATOM 2310 CD GLU A 859 36.898 15.278 35.613 1.00118.63 C ATOM 2311 OE1 GLU A 859 37.874 15.808 35.031 1.00122.18 O ATOM 2312 OE2 GLU A 859 35.742 15.250 35.129 1.00 97.72 O ATOM 2313 H GLU A 859 36.201 12.069 35.968 1.00 0.00 H ATOM 2314 N SER A 860 39.184 10.437 36.289 1.00 72.41 N ATOM 2315 CA SER A 860 40.222 9.428 36.529 1.00 71.08 C ATOM 2316 C SER A 860 40.664 8.656 35.269 1.00 70.31 C ATOM 2317 O SER A 860 40.893 7.446 35.338 1.00 82.17 O ATOM 2318 CB SER A 860 39.730 8.444 37.599 1.00 69.05 C ATOM 2319 OG SER A 860 38.697 7.608 37.095 1.00 71.96 O ATOM 2320 HG SER A 860 37.933 8.167 36.805 1.00 0.00 H ATOM 2321 H SER A 860 38.187 10.161 36.392 1.00 0.00 H ATOM 2322 N LEU A 861 40.813 9.343 34.135 1.00 70.17 N ATOM 2323 CA LEU A 861 41.236 8.700 32.881 1.00 72.50 C ATOM 2324 C LEU A 861 42.371 9.480 32.220 1.00 74.91 C ATOM 2325 O LEU A 861 43.402 8.906 31.858 1.00 73.30 O ATOM 2326 CB LEU A 861 40.056 8.570 31.912 1.00 69.34 C ATOM 2327 CG LEU A 861 38.761 7.904 32.402 1.00 69.34 C ATOM 2328 CD1 LEU A 861 37.695 8.024 31.323 1.00 70.08 C ATOM 2329 CD2 LEU A 861 38.938 6.442 32.793 1.00 65.88 C ATOM 2330 H LEU A 861 40.624 10.366 34.138 1.00 0.00 H TER 2331 LEU A 861 HETATM 2332 O HOH 1 14.590 -2.034 32.033 1.00 48.26 O HETATM 2333 O HOH 2 18.894 -3.997 33.642 1.00 38.68 O HETATM 2334 O HOH 3 11.715 7.544 32.339 1.00 56.34 O HETATM 2335 O HOH 4 20.646 29.039 12.387 1.00 50.42 O HETATM 2336 O HOH 5 12.083 5.459 28.083 1.00 56.29 O HETATM 2337 O HOH 6 7.215 18.062 23.754 1.00 47.61 O HETATM 2338 O HOH 7 15.102 10.889 11.765 1.00 48.35 O HETATM 2339 O HOH 8 14.094 10.149 18.208 1.00 53.56 O HETATM 2340 O HOH 9 20.828 -4.284 18.951 1.00 35.90 O HETATM 2341 O HOH 10 21.395 -7.956 28.391 1.00 26.76 O HETATM 2342 O HOH 11 18.518 9.725 10.872 1.00 53.90 O HETATM 2343 O HOH 12 17.246 -2.862 51.600 1.00 42.27 O HETATM 2344 O HOH 13 14.693 9.360 14.463 1.00 59.45 O HETATM 2345 O HOH 14 11.671 8.890 19.437 1.00 49.85 O HETATM 2346 O HOH 15 24.638 27.898 13.327 1.00 50.21 O HETATM 2347 C6 UNN A 16 11.060 13.396 18.969 1.00 0.05 C HETATM 2348 C7 UNN A 16 10.696 13.151 17.494 1.00 0.07 C HETATM 2349 O8 UNN A 16 11.884 12.957 16.714 1.00 -0.36 O HETATM 2350 C9 UNN A 16 12.759 14.096 16.675 1.00 0.11 C HETATM 2351 C11 UNN A 16 13.281 14.408 18.085 1.00 0.06 C HETATM 2352 N5 UNN A 16 12.275 14.230 19.160 1.00 -0.23 N HETATM 2353 S2 UNN A 16 12.556 14.946 20.637 1.00 0.04 S HETATM 2354 C1 UNN A 16 13.516 13.703 21.529 1.00 0.07 C HETATM 2355 H9 UNN A 16 12.893 12.813 21.701 1.00 0.05 H HETATM 2356 H10 UNN A 16 13.842 14.115 22.495 1.00 0.05 H HETATM 2357 H11 UNN A 16 14.398 13.424 20.933 1.00 0.05 H HETATM 2358 O3 UNN A 16 11.277 15.073 21.240 1.00 -0.16 O HETATM 2359 O4 UNN A 16 13.383 16.090 20.425 1.00 -0.16 O HETATM 2360 H13 UNN A 16 14.130 13.741 18.294 1.00 0.05 H HETATM 2361 H14 UNN A 16 13.623 15.453 18.102 1.00 0.05 H HETATM 2362 C12 UNN A 16 13.966 13.844 15.812 1.00 0.02 C HETATM 2363 C13 UNN A 16 14.380 12.625 15.463 1.00 0.00 C HETATM 2364 S14 UNN A 16 15.833 12.797 14.474 1.00 -0.03 S HETATM 2365 C15 UNN A 16 15.739 14.541 14.652 1.00 0.10 C HETATM 2366 C17 UNN A 16 16.698 15.489 14.051 1.00 0.03 C HETATM 2367 C22 UNN A 16 16.731 16.861 14.398 1.00 0.07 C HETATM 2368 C21 UNN A 16 17.678 17.681 13.784 1.00 -0.04 C HETATM 2369 C20 UNN A 16 18.552 17.161 12.839 1.00 -0.05 C HETATM 2370 C19 UNN A 16 18.500 15.801 12.488 1.00 0.03 C HETATM 2371 C18 UNN A 16 17.576 14.975 13.099 1.00 -0.04 C HETATM 2372 H15 UNN A 16 17.534 13.924 12.837 1.00 0.05 H HETATM 2373 N32 UNN A 16 19.364 15.221 11.548 1.00 -0.31 N HETATM 2374 C33 UNN A 16 18.874 15.047 10.161 1.00 0.05 C HETATM 2375 C34 UNN A 16 19.725 13.910 9.569 1.00 0.07 C HETATM 2376 O35 UNN A 16 21.130 14.208 9.738 1.00 -0.38 O HETATM 2377 C36 UNN A 16 21.628 14.447 11.070 1.00 0.07 C HETATM 2378 C37 UNN A 16 20.794 15.573 11.686 1.00 0.05 C HETATM 2379 H25 UNN A 16 21.049 15.685 12.750 1.00 0.05 H HETATM 2380 H26 UNN A 16 20.997 16.517 11.159 1.00 0.05 H HETATM 2381 H23 UNN A 16 22.686 14.746 11.026 1.00 0.06 H HETATM 2382 H24 UNN A 16 21.530 13.534 11.676 1.00 0.06 H HETATM 2383 H21 UNN A 16 19.500 13.806 8.497 1.00 0.06 H HETATM 2384 H22 UNN A 16 19.487 12.969 10.086 1.00 0.06 H HETATM 2385 H19 UNN A 16 19.014 15.973 9.584 1.00 0.05 H HETATM 2386 H20 UNN A 16 17.809 14.771 10.160 1.00 0.05 H HETATM 2387 H6 UNN A 16 19.281 17.810 12.367 1.00 0.05 H HETATM 2388 H7 UNN A 16 17.732 18.731 14.047 1.00 0.05 H HETATM 2389 N23 UNN A 16 15.847 17.302 15.399 1.00 -0.23 N HETATM 2390 C24 UNN A 16 15.877 18.446 16.121 1.00 0.28 C HETATM 2391 C26 UNN A 16 14.900 18.640 17.188 1.00 0.22 C HETATM 2392 N27 UNN A 16 13.819 17.924 17.395 1.00 -0.31 N HETATM 2393 C28 UNN A 16 13.203 18.392 18.480 1.00 -0.01 C HETATM 2394 C29 UNN A 16 13.929 19.420 18.992 1.00 0.04 C HETATM 2395 N30 UNN A 16 15.013 19.572 18.186 1.00 -0.25 N HETATM 2396 H18 UNN A 16 15.774 20.257 18.303 1.00 0.24 H HETATM 2397 H17 UNN A 16 13.689 20.008 19.877 1.00 0.09 H HETATM 2398 H8 UNN A 16 12.268 18.012 18.890 1.00 0.05 H HETATM 2399 O25 UNN A 16 16.678 19.331 15.942 1.00 -0.36 O HETATM 2400 H16 UNN A 16 15.090 16.683 15.606 1.00 0.23 H HETATM 2401 N16 UNN A 16 14.697 14.839 15.372 1.00 -0.31 N HETATM 2402 H5 UNN A 16 13.904 11.686 15.740 1.00 0.06 H HETATM 2403 H12 UNN A 16 12.201 14.960 16.283 1.00 0.07 H HETATM 2404 H3 UNN A 16 10.146 14.021 17.107 1.00 0.06 H HETATM 2405 H4 UNN A 16 10.063 12.254 17.420 1.00 0.06 H HETATM 2406 H1 UNN A 16 11.230 12.421 19.450 1.00 0.05 H HETATM 2407 H2 UNN A 16 10.213 13.902 19.455 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 414 415 419 420 421 CONECT 419 414 CONECT 420 414 CONECT 421 414 CONECT 632 633 638 639 640 CONECT 639 632 CONECT 640 632 CONECT 1378 1379 1384 1385 1386 CONECT 1385 1378 CONECT 1386 1378 CONECT 1476 1477 1489 1490 1491 CONECT 1489 1476 CONECT 1490 1476 CONECT 1491 1476 CONECT 2347 2348 2352 2406 2407 CONECT 2348 2347 2349 2404 2405 CONECT 2349 2348 2350 CONECT 2350 2349 2351 2362 2403 CONECT 2351 2350 2352 2360 2361 CONECT 2352 2347 2351 2353 CONECT 2353 2352 2354 2358 2359 CONECT 2354 2353 2355 2356 2357 CONECT 2355 2354 CONECT 2356 2354 CONECT 2357 2354 CONECT 2358 2353 CONECT 2359 2353 CONECT 2360 2351 CONECT 2361 2351 CONECT 2362 2350 2363 2401 CONECT 2363 2362 2364 2402 CONECT 2364 2363 2365 CONECT 2365 2364 2366 2401 CONECT 2366 2365 2367 2371 CONECT 2367 2366 2368 2389 CONECT 2368 2367 2369 2388 CONECT 2369 2368 2370 2387 CONECT 2370 2369 2371 2373 CONECT 2371 2366 2370 2372 CONECT 2372 2371 CONECT 2373 2370 2374 2378 CONECT 2374 2373 2375 2385 2386 CONECT 2375 2374 2376 2383 2384 CONECT 2376 2375 2377 CONECT 2377 2376 2378 2381 2382 CONECT 2378 2373 2377 2379 2380 CONECT 2379 2378 CONECT 2380 2378 CONECT 2381 2377 CONECT 2382 2377 CONECT 2383 2375 CONECT 2384 2375 CONECT 2385 2374 CONECT 2386 2374 CONECT 2387 2369 CONECT 2388 2368 CONECT 2389 2367 2390 2400 CONECT 2390 2389 2391 2399 CONECT 2391 2390 2392 2395 CONECT 2392 2391 2393 CONECT 2393 2392 2394 2398 CONECT 2394 2393 2395 2397 CONECT 2395 2391 2394 2396 CONECT 2396 2395 CONECT 2397 2394 CONECT 2398 2393 CONECT 2399 2390 CONECT 2400 2389 CONECT 2401 2362 2365 CONECT 2402 2363 CONECT 2403 2350 CONECT 2404 2348 CONECT 2405 2348 CONECT 2406 2347 CONECT 2407 2347 MASTER 0 0 0 0 0 0 0 0 2402 5 79 20 END
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Structure:
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Related entries of code: 5td2
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Protein Sequence Similarity
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RCSB PDB
PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5td2
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Tyrosine-protein kinase Mer
Ligand Name
7AE
EC.Number
E.C.-.-.-.-
Resolution
2.68(Å)
Affinity (Kd/Ki/IC50)
IC50=2.2nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Bioorg. Med. Chem. Lett. Vol. 27: pp. 1099-1104
Ligand Properties
Formula
C
2
2
H
2
6
N
6
O
5
S
2
Molecular Weight
518.609
Exact Mass
518.141
No. of atoms
61
No. of bonds
65
Polar Surface Area
166.37
LOGP Value
0.45 (
Computed with XLOGP3
)
3.11 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 5
Canonical SMILES
O=C(c1ncc[nH]1)Nc1ccc(cc1c1scc(n1)[C@H]1OCCN(C1)S(=O)(=O)C)N1CCOCC1
InChI String
InChI=1S/C22H26N6O5S2/c1-35(30,31)28-8-11-33-19(13-28)18-14-34-22(26-18)16-12-15(27-6-9-32-10-7-27)2-3-17(16)25-21(29)20-23-4-5-24-20/h2-5,12,14,19H,6-11,13H2,1H3,(H,23,24)(H,25,29)/t19-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q12866
Entrez Gene ID
NCBI Entrez Gene ID:
10461
ASD
Information of known allosteric effects of PDB entries
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