Browse entries in the PDBbind-CN Database
HEADER 5YPO_COMPLEX COMPND 5YPO_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 183 VAL HIS TYR ALA ARG PRO ILE ILE ILE LEU GLY PRO THR SEQRES 2 B 183 LYS ASP ARG ALA ASN ASP ASP LEU LEU SER GLU PHE PRO SEQRES 3 B 183 ASP LYS PHE GLY SER CYS VAL PRO HIS THR THR ARG PRO SEQRES 4 B 183 LYS ARG GLU TYR GLU ILE ASP GLY ARG ASP TYR HIS PHE SEQRES 5 B 183 VAL SER SER ARG GLU LYS MET GLU LYS ASP ILE GLN ALA SEQRES 6 B 183 HIS LYS PHE ILE GLU ALA GLY GLN TYR ASN SER HIS LEU SEQRES 7 B 183 TYR GLY THR SER VAL GLN SER VAL ARG GLU VAL ALA GLU SEQRES 8 B 183 GLN GLY LYS HIS CYS ILE LEU ASP VAL SER ALA ASN ALA SEQRES 9 B 183 VAL ARG ARG LEU GLN ALA ALA HIS LEU HIS PRO ILE ALA SEQRES 10 B 183 ILE PHE ILE ARG PRO ARG SER LEU GLU ASN VAL LEU GLU SEQRES 11 B 183 ILE ASN LYS ARG ILE THR GLU GLU GLN ALA ARG LYS ALA SEQRES 12 B 183 PHE ASP ARG ALA THR LYS LEU GLU GLN GLU PHE THR GLU SEQRES 13 B 183 CYS PHE SER ALA ILE VAL GLU GLY ASP SER PHE GLU GLU SEQRES 14 B 183 ILE TYR HIS LYS VAL LYS ARG VAL ILE GLU ASP LEU SER SEQRES 15 B 183 GLY HET ALA A 306 237 ATOM 1 N VAL B 531 -12.940 51.305 30.141 1.00 71.92 N ATOM 2 CA VAL B 531 -12.701 49.974 30.685 1.00 63.38 C ATOM 3 C VAL B 531 -11.642 50.042 31.790 1.00 59.87 C ATOM 4 O VAL B 531 -10.660 50.779 31.685 1.00 54.40 O ATOM 5 CB VAL B 531 -12.292 48.990 29.568 1.00 69.20 C ATOM 6 CG1 VAL B 531 -12.049 47.595 30.139 1.00 58.01 C ATOM 7 CG2 VAL B 531 -13.361 48.945 28.483 1.00 64.60 C ATOM 8 HN3 VAL B 531 -12.055 51.680 29.745 1.00 0.00 H ATOM 9 HN2 VAL B 531 -13.276 51.933 30.899 1.00 0.00 H ATOM 10 HN1 VAL B 531 -13.660 51.248 29.392 1.00 0.00 H ATOM 11 N HIS B 532 -11.850 49.285 32.861 1.00 57.86 N ATOM 12 CA HIS B 532 -10.951 49.311 34.004 1.00 57.52 C ATOM 13 C HIS B 532 -9.962 48.156 33.935 1.00 41.28 C ATOM 14 O HIS B 532 -10.311 47.035 33.560 1.00 40.66 O ATOM 15 CB HIS B 532 -11.723 49.258 35.323 1.00 63.46 C ATOM 16 CG HIS B 532 -12.329 50.571 35.714 1.00 78.39 C ATOM 17 ND1 HIS B 532 -11.734 51.780 35.423 1.00 79.79 N ATOM 18 CD2 HIS B 532 -13.481 50.864 36.363 1.00 79.43 C ATOM 19 CE1 HIS B 532 -12.491 52.762 35.879 1.00 87.47 C ATOM 20 NE2 HIS B 532 -13.556 52.233 36.456 1.00 90.77 N ATOM 21 H HIS B 532 -12.678 48.656 32.883 1.00 0.00 H ATOM 22 N TYR B 533 -8.723 48.452 34.287 1.00 34.59 N ATOM 23 CA TYR B 533 -7.692 47.438 34.374 1.00 37.31 C ATOM 24 C TYR B 533 -8.110 46.339 35.359 1.00 35.29 C ATOM 25 O TYR B 533 -8.629 46.628 36.438 1.00 34.42 O ATOM 26 CB TYR B 533 -6.405 48.130 34.806 1.00 31.16 C ATOM 27 CG TYR B 533 -5.165 47.284 34.778 1.00 39.19 C ATOM 28 CD1 TYR B 533 -4.964 46.286 35.736 1.00 36.54 C ATOM 29 CD2 TYR B 533 -4.182 47.486 33.814 1.00 31.02 C ATOM 30 CE1 TYR B 533 -3.824 45.503 35.735 1.00 31.25 C ATOM 31 CE2 TYR B 533 -3.034 46.701 33.803 1.00 37.75 C ATOM 32 CZ TYR B 533 -2.870 45.709 34.779 1.00 30.05 C ATOM 33 OH TYR B 533 -1.755 44.919 34.803 1.00 34.14 O ATOM 34 HH TYR B 533 -1.819 44.283 35.559 1.00 0.00 H ATOM 35 H TYR B 533 -8.482 49.439 34.507 1.00 0.00 H ATOM 36 N ALA B 534 -7.918 45.079 34.974 1.00 23.35 N ATOM 37 CA ALA B 534 -8.119 43.943 35.876 1.00 27.04 C ATOM 38 C ALA B 534 -6.781 43.275 36.155 1.00 26.19 C ATOM 39 O ALA B 534 -5.992 43.037 35.232 1.00 27.25 O ATOM 40 CB ALA B 534 -9.097 42.916 35.308 1.00 22.41 C ATOM 41 H ALA B 534 -7.614 44.895 33.997 1.00 0.00 H ATOM 42 N ARG B 535 -6.527 42.979 37.418 1.00 21.79 N ATOM 43 CA ARG B 535 -5.244 42.423 37.782 1.00 17.81 C ATOM 44 C ARG B 535 -5.117 41.002 37.231 1.00 21.58 C ATOM 45 O ARG B 535 -6.088 40.240 37.248 1.00 22.39 O ATOM 46 CB ARG B 535 -5.081 42.423 39.292 1.00 17.03 C ATOM 47 CG ARG B 535 -5.008 43.840 39.903 1.00 21.37 C ATOM 48 CD ARG B 535 -5.119 43.783 41.415 1.00 16.00 C ATOM 49 NE ARG B 535 -3.946 43.181 42.041 1.00 18.74 N ATOM 50 CZ ARG B 535 -3.812 42.999 43.352 1.00 21.14 C ATOM 51 NH1 ARG B 535 -4.788 43.360 44.188 1.00 18.65 N ATOM 52 NH2 ARG B 535 -2.713 42.444 43.827 1.00 15.51 N ATOM 53 HE ARG B 535 -3.167 42.875 41.424 1.00 0.00 H ATOM 54 HH12 ARG B 535 -4.676 43.215 45.212 1.00 0.00 H ATOM 55 HH11 ARG B 535 -5.660 43.787 43.816 1.00 0.00 H ATOM 56 HH22 ARG B 535 -2.604 42.300 44.851 1.00 0.00 H ATOM 57 HH21 ARG B 535 -1.956 42.151 43.177 1.00 0.00 H ATOM 58 H ARG B 535 -7.249 43.146 38.148 1.00 0.00 H ATOM 59 N PRO B 536 -3.954 40.638 36.703 1.00 18.67 N ATOM 60 CA PRO B 536 -3.734 39.250 36.269 1.00 19.81 C ATOM 61 C PRO B 536 -3.570 38.334 37.470 1.00 15.84 C ATOM 62 O PRO B 536 -3.209 38.759 38.568 1.00 17.02 O ATOM 63 CB PRO B 536 -2.438 39.320 35.447 1.00 18.38 C ATOM 64 CG PRO B 536 -1.698 40.514 36.018 1.00 20.66 C ATOM 65 CD PRO B 536 -2.788 41.505 36.476 1.00 18.65 C ATOM 66 N ILE B 537 -3.840 37.056 37.238 1.00 17.65 N ATOM 67 CA ILE B 537 -3.923 36.052 38.285 1.00 15.55 C ATOM 68 C ILE B 537 -2.867 34.991 38.027 1.00 18.16 C ATOM 69 O ILE B 537 -2.766 34.467 36.910 1.00 17.30 O ATOM 70 CB ILE B 537 -5.308 35.390 38.320 1.00 20.82 C ATOM 71 CG1 ILE B 537 -6.427 36.439 38.419 1.00 23.96 C ATOM 72 CG2 ILE B 537 -5.360 34.330 39.427 1.00 16.14 C ATOM 73 CD1 ILE B 537 -6.690 36.917 39.767 1.00 22.59 C ATOM 74 H ILE B 537 -4.001 36.757 36.255 1.00 0.00 H ATOM 75 N ILE B 538 -2.130 34.633 39.072 1.00 14.39 N ATOM 76 CA ILE B 538 -1.267 33.461 39.075 1.00 16.28 C ATOM 77 C ILE B 538 -1.645 32.617 40.279 1.00 19.91 C ATOM 78 O ILE B 538 -1.356 32.996 41.423 1.00 16.60 O ATOM 79 CB ILE B 538 0.228 33.808 39.134 1.00 19.83 C ATOM 80 CG1 ILE B 538 0.605 34.849 38.092 1.00 20.01 C ATOM 81 CG2 ILE B 538 1.065 32.552 38.912 1.00 18.59 C ATOM 82 CD1 ILE B 538 2.100 35.027 38.016 1.00 32.75 C ATOM 83 H ILE B 538 -2.171 35.219 39.930 1.00 0.00 H ATOM 84 N ILE B 539 -2.243 31.460 40.032 1.00 20.34 N ATOM 85 CA ILE B 539 -2.529 30.492 41.088 1.00 20.18 C ATOM 86 C ILE B 539 -1.431 29.439 41.097 1.00 21.45 C ATOM 87 O ILE B 539 -0.987 28.983 40.040 1.00 14.88 O ATOM 88 CB ILE B 539 -3.917 29.848 40.900 1.00 19.21 C ATOM 89 CG1 ILE B 539 -4.978 30.973 40.841 1.00 22.73 C ATOM 90 CG2 ILE B 539 -4.196 28.890 42.061 1.00 14.54 C ATOM 91 CD1 ILE B 539 -6.348 30.543 40.346 1.00 19.38 C ATOM 92 H ILE B 539 -2.517 31.234 39.055 1.00 0.00 H ATOM 93 N LEU B 540 -0.992 29.057 42.294 1.00 16.08 N ATOM 94 CA LEU B 540 0.087 28.108 42.477 1.00 18.42 C ATOM 95 C LEU B 540 -0.299 27.138 43.584 1.00 16.26 C ATOM 96 O LEU B 540 -1.188 27.412 44.397 1.00 21.76 O ATOM 97 CB LEU B 540 1.412 28.827 42.805 1.00 16.71 C ATOM 98 CG LEU B 540 1.907 29.791 41.721 1.00 20.44 C ATOM 99 CD1 LEU B 540 2.956 30.762 42.289 1.00 18.75 C ATOM 100 CD2 LEU B 540 2.427 29.018 40.478 1.00 14.88 C ATOM 101 H LEU B 540 -1.446 29.459 43.139 1.00 0.00 H ATOM 102 N GLY B 541 0.375 25.990 43.594 1.00 18.10 N ATOM 103 CA GLY B 541 0.074 24.922 44.525 1.00 18.66 C ATOM 104 C GLY B 541 -0.722 23.788 43.896 1.00 22.25 C ATOM 105 O GLY B 541 -1.099 23.827 42.714 1.00 18.82 O ATOM 106 H GLY B 541 1.145 25.855 42.909 1.00 0.00 H ATOM 107 N PRO B 542 -0.992 22.754 44.693 1.00 18.17 N ATOM 108 CA PRO B 542 -1.808 21.634 44.218 1.00 18.72 C ATOM 109 C PRO B 542 -3.195 22.094 43.810 1.00 17.92 C ATOM 110 O PRO B 542 -3.824 22.891 44.513 1.00 16.75 O ATOM 111 CB PRO B 542 -1.887 20.709 45.440 1.00 24.99 C ATOM 112 CG PRO B 542 -0.855 21.220 46.405 1.00 25.94 C ATOM 113 CD PRO B 542 -0.672 22.646 46.127 1.00 20.71 C ATOM 114 N THR B 543 -3.678 21.530 42.689 1.00 17.49 N ATOM 115 CA THR B 543 -4.986 21.744 42.055 1.00 17.70 C ATOM 116 C THR B 543 -5.130 23.119 41.399 1.00 19.38 C ATOM 117 O THR B 543 -6.227 23.459 40.943 1.00 17.78 O ATOM 118 CB THR B 543 -6.175 21.536 43.012 1.00 14.82 C ATOM 119 OG1 THR B 543 -6.409 22.720 43.772 1.00 17.02 O ATOM 120 CG2 THR B 543 -5.923 20.371 43.960 1.00 17.62 C ATOM 121 HG1 THR B 543 -5.601 22.936 44.301 1.00 0.00 H ATOM 122 H THR B 543 -3.046 20.857 42.210 1.00 0.00 H ATOM 123 N LYS B 544 -4.049 23.894 41.273 1.00 14.15 N ATOM 124 CA LYS B 544 -4.159 25.208 40.636 1.00 18.32 C ATOM 125 C LYS B 544 -4.685 25.124 39.203 1.00 16.93 C ATOM 126 O LYS B 544 -5.378 26.042 38.741 1.00 15.45 O ATOM 127 CB LYS B 544 -2.796 25.913 40.649 1.00 18.59 C ATOM 128 CG LYS B 544 -1.700 25.122 39.916 1.00 15.62 C ATOM 129 CD LYS B 544 -1.399 25.781 38.634 1.00 18.11 C ATOM 130 CE LYS B 544 0.020 25.489 38.187 1.00 24.89 C ATOM 131 NZ LYS B 544 0.179 26.011 36.804 1.00 26.57 N ATOM 132 HZ1 LYS B 544 -0.502 25.538 36.176 1.00 0.00 H ATOM 133 HZ2 LYS B 544 0.003 27.036 36.799 1.00 0.00 H ATOM 134 HZ3 LYS B 544 1.147 25.823 36.473 1.00 0.00 H ATOM 135 H LYS B 544 -3.129 23.564 41.628 1.00 0.00 H ATOM 136 N ASP B 545 -4.372 24.053 38.478 1.00 16.71 N ATOM 137 CA ASP B 545 -4.821 23.985 37.086 1.00 18.93 C ATOM 138 C ASP B 545 -6.320 23.747 37.014 1.00 16.80 C ATOM 139 O ASP B 545 -6.996 24.307 36.146 1.00 20.93 O ATOM 140 CB ASP B 545 -4.070 22.899 36.305 1.00 16.32 C ATOM 141 CG ASP B 545 -2.566 23.222 36.127 1.00 22.49 C ATOM 142 OD1 ASP B 545 -2.224 24.352 35.730 1.00 26.00 O ATOM 143 OD2 ASP B 545 -1.723 22.344 36.418 1.00 30.64 O ATOM 144 H ASP B 545 -3.818 23.277 38.893 1.00 0.00 H ATOM 145 N ARG B 546 -6.858 22.924 37.914 1.00 14.61 N ATOM 146 CA ARG B 546 -8.303 22.753 37.971 1.00 18.22 C ATOM 147 C ARG B 546 -8.983 24.074 38.335 1.00 19.82 C ATOM 148 O ARG B 546 -9.979 24.465 37.713 1.00 19.98 O ATOM 149 CB ARG B 546 -8.663 21.653 38.978 1.00 20.05 C ATOM 150 CG ARG B 546 -10.129 21.215 38.926 1.00 21.20 C ATOM 151 CD ARG B 546 -10.456 20.287 40.085 1.00 22.70 C ATOM 152 NE ARG B 546 -11.879 19.974 40.173 1.00 22.56 N ATOM 153 CZ ARG B 546 -12.399 19.135 41.066 1.00 28.75 C ATOM 154 NH1 ARG B 546 -11.610 18.519 41.952 1.00 18.86 N ATOM 155 NH2 ARG B 546 -13.707 18.907 41.066 1.00 22.41 N ATOM 156 HE ARG B 546 -12.524 20.433 39.499 1.00 0.00 H ATOM 157 HH12 ARG B 546 -12.021 17.864 42.648 1.00 0.00 H ATOM 158 HH11 ARG B 546 -10.585 18.694 41.946 1.00 0.00 H ATOM 159 HH22 ARG B 546 -14.121 18.253 41.761 1.00 0.00 H ATOM 160 HH21 ARG B 546 -14.318 19.383 40.371 1.00 0.00 H ATOM 161 H ARG B 546 -6.246 22.404 38.575 1.00 0.00 H ATOM 162 N ALA B 547 -8.416 24.799 39.302 1.00 14.78 N ATOM 163 CA ALA B 547 -8.945 26.115 39.659 1.00 19.91 C ATOM 164 C ALA B 547 -8.890 27.098 38.489 1.00 21.61 C ATOM 165 O ALA B 547 -9.802 27.915 38.313 1.00 23.43 O ATOM 166 CB ALA B 547 -8.174 26.666 40.849 1.00 12.48 C ATOM 167 H ALA B 547 -7.588 24.424 39.807 1.00 0.00 H ATOM 168 N ASN B 548 -7.814 27.051 37.697 1.00 20.07 N ATOM 169 CA ASN B 548 -7.689 27.918 36.524 1.00 17.51 C ATOM 170 C ASN B 548 -8.785 27.616 35.507 1.00 21.42 C ATOM 171 O ASN B 548 -9.488 28.523 35.043 1.00 20.96 O ATOM 172 CB ASN B 548 -6.314 27.724 35.877 1.00 17.72 C ATOM 173 CG ASN B 548 -5.184 28.436 36.629 1.00 21.89 C ATOM 174 OD1 ASN B 548 -5.416 29.303 37.468 1.00 19.40 O ATOM 175 ND2 ASN B 548 -3.947 28.078 36.299 1.00 16.60 N ATOM 176 HD22 ASN B 548 -3.793 27.339 35.583 1.00 0.00 H ATOM 177 HD21 ASN B 548 -3.133 28.537 36.756 1.00 0.00 H ATOM 178 H ASN B 548 -7.048 26.383 37.919 1.00 0.00 H ATOM 179 N ASP B 549 -8.916 26.337 35.124 1.00 19.05 N ATOM 180 CA ASP B 549 -9.934 25.932 34.154 1.00 20.75 C ATOM 181 C ASP B 549 -11.322 26.326 34.625 1.00 21.29 C ATOM 182 O ASP B 549 -12.173 26.733 33.822 1.00 25.33 O ATOM 183 CB ASP B 549 -9.902 24.422 33.944 1.00 20.61 C ATOM 184 CG ASP B 549 -8.672 23.947 33.225 1.00 23.81 C ATOM 185 OD1 ASP B 549 -8.136 24.679 32.359 1.00 25.89 O ATOM 186 OD2 ASP B 549 -8.269 22.803 33.511 1.00 25.39 O ATOM 187 H ASP B 549 -8.281 25.618 35.525 1.00 0.00 H ATOM 188 N ASP B 550 -11.564 26.207 35.930 1.00 17.51 N ATOM 189 CA ASP B 550 -12.897 26.443 36.455 1.00 22.47 C ATOM 190 C ASP B 550 -13.260 27.909 36.367 1.00 23.31 C ATOM 191 O ASP B 550 -14.378 28.245 35.969 1.00 23.84 O ATOM 192 CB ASP B 550 -12.991 25.951 37.897 1.00 21.07 C ATOM 193 CG ASP B 550 -13.217 24.456 37.987 1.00 20.95 C ATOM 194 OD1 ASP B 550 -13.376 23.799 36.928 1.00 23.14 O ATOM 195 OD2 ASP B 550 -13.244 23.943 39.124 1.00 27.28 O ATOM 196 H ASP B 550 -10.793 25.943 36.577 1.00 0.00 H ATOM 197 N LEU B 551 -12.329 28.796 36.718 1.00 22.29 N ATOM 198 CA LEU B 551 -12.632 30.223 36.645 1.00 23.02 C ATOM 199 C LEU B 551 -12.937 30.630 35.216 1.00 24.05 C ATOM 200 O LEU B 551 -13.874 31.401 34.967 1.00 23.71 O ATOM 201 CB LEU B 551 -11.469 31.047 37.198 1.00 20.40 C ATOM 202 CG LEU B 551 -11.225 30.944 38.706 1.00 24.84 C ATOM 203 CD1 LEU B 551 -9.814 31.405 39.081 1.00 15.45 C ATOM 204 CD2 LEU B 551 -12.307 31.707 39.524 1.00 25.18 C ATOM 205 H LEU B 551 -11.394 28.475 37.041 1.00 0.00 H ATOM 206 N LEU B 552 -12.176 30.091 34.260 1.00 21.39 N ATOM 207 CA LEU B 552 -12.398 30.445 32.865 1.00 26.02 C ATOM 208 C LEU B 552 -13.741 29.925 32.365 1.00 25.55 C ATOM 209 O LEU B 552 -14.422 30.598 31.584 1.00 27.59 O ATOM 210 CB LEU B 552 -11.268 29.902 31.989 1.00 21.18 C ATOM 211 CG LEU B 552 -9.904 30.569 32.127 1.00 20.54 C ATOM 212 CD1 LEU B 552 -8.820 29.707 31.429 1.00 18.70 C ATOM 213 CD2 LEU B 552 -9.941 31.955 31.564 1.00 17.54 C ATOM 214 H LEU B 552 -11.424 29.418 34.512 1.00 0.00 H ATOM 215 N SER B 553 -14.128 28.721 32.773 1.00 24.97 N ATOM 216 CA SER B 553 -15.337 28.151 32.204 1.00 27.03 C ATOM 217 C SER B 553 -16.592 28.678 32.887 1.00 30.06 C ATOM 218 O SER B 553 -17.649 28.716 32.250 1.00 31.63 O ATOM 219 CB SER B 553 -15.271 26.624 32.258 1.00 25.56 C ATOM 220 OG SER B 553 -15.176 26.184 33.587 1.00 36.99 O ATOM 221 HG SER B 553 -15.134 25.195 33.604 1.00 0.00 H ATOM 222 H SER B 553 -13.578 28.198 33.484 1.00 0.00 H ATOM 223 N GLU B 554 -16.477 29.140 34.137 1.00 24.59 N ATOM 224 CA GLU B 554 -17.609 29.679 34.887 1.00 28.78 C ATOM 225 C GLU B 554 -17.865 31.147 34.564 1.00 33.10 C ATOM 226 O GLU B 554 -19.016 31.555 34.384 1.00 28.27 O ATOM 227 CB GLU B 554 -17.363 29.540 36.382 1.00 23.91 C ATOM 228 CG GLU B 554 -18.059 28.395 37.033 1.00 33.89 C ATOM 229 CD GLU B 554 -18.245 28.629 38.514 1.00 36.28 C ATOM 230 OE1 GLU B 554 -17.223 28.722 39.233 1.00 39.04 O ATOM 231 OE2 GLU B 554 -19.407 28.748 38.956 1.00 42.84 O ATOM 232 H GLU B 554 -15.543 29.114 34.594 1.00 0.00 H ATOM 233 N PHE B 555 -16.811 31.961 34.526 1.00 24.79 N ATOM 234 CA PHE B 555 -16.934 33.413 34.407 1.00 25.92 C ATOM 235 C PHE B 555 -16.154 33.908 33.193 1.00 25.73 C ATOM 236 O PHE B 555 -15.184 34.668 33.329 1.00 20.36 O ATOM 237 CB PHE B 555 -16.447 34.119 35.670 1.00 21.94 C ATOM 238 CG PHE B 555 -17.067 33.611 36.951 1.00 32.19 C ATOM 239 CD1 PHE B 555 -16.477 32.582 37.667 1.00 30.66 C ATOM 240 CD2 PHE B 555 -18.216 34.197 37.466 1.00 35.48 C ATOM 241 CE1 PHE B 555 -17.031 32.125 38.850 1.00 32.78 C ATOM 242 CE2 PHE B 555 -18.773 33.738 38.651 1.00 38.22 C ATOM 243 CZ PHE B 555 -18.176 32.700 39.343 1.00 31.79 C ATOM 244 H PHE B 555 -15.859 31.546 34.583 1.00 0.00 H ATOM 245 N PRO B 556 -16.550 33.499 31.985 1.00 25.33 N ATOM 246 CA PRO B 556 -15.821 33.960 30.794 1.00 24.55 C ATOM 247 C PRO B 556 -15.888 35.463 30.604 1.00 22.22 C ATOM 248 O PRO B 556 -15.079 36.004 29.856 1.00 26.06 O ATOM 249 CB PRO B 556 -16.512 33.216 29.644 1.00 27.86 C ATOM 250 CG PRO B 556 -17.920 32.978 30.165 1.00 27.06 C ATOM 251 CD PRO B 556 -17.734 32.693 31.628 1.00 28.86 C ATOM 252 N ASP B 557 -16.815 36.160 31.264 1.00 23.00 N ATOM 253 CA ASP B 557 -16.851 37.611 31.159 1.00 27.92 C ATOM 254 C ASP B 557 -15.816 38.295 32.047 1.00 27.85 C ATOM 255 O ASP B 557 -15.500 39.463 31.808 1.00 28.97 O ATOM 256 CB ASP B 557 -18.253 38.150 31.500 1.00 28.02 C ATOM 257 CG ASP B 557 -18.701 37.785 32.913 1.00 33.27 C ATOM 258 OD1 ASP B 557 -18.504 36.614 33.320 1.00 31.97 O ATOM 259 OD2 ASP B 557 -19.253 38.665 33.616 1.00 36.49 O ATOM 260 H ASP B 557 -17.513 35.665 31.855 1.00 0.00 H ATOM 261 N LYS B 558 -15.284 37.618 33.068 1.00 18.71 N ATOM 262 CA LYS B 558 -14.298 38.264 33.932 1.00 24.56 C ATOM 263 C LYS B 558 -12.903 37.645 33.859 1.00 21.88 C ATOM 264 O LYS B 558 -11.948 38.267 34.337 1.00 26.74 O ATOM 265 CB LYS B 558 -14.788 38.268 35.391 1.00 23.70 C ATOM 266 H LYS B 558 -15.570 36.634 33.248 1.00 0.00 H ATOM 267 N PHE B 559 -12.757 36.454 33.281 1.00 19.69 N ATOM 268 CA PHE B 559 -11.486 35.744 33.232 1.00 21.49 C ATOM 269 C PHE B 559 -11.126 35.416 31.792 1.00 21.93 C ATOM 270 O PHE B 559 -11.970 34.937 31.030 1.00 25.28 O ATOM 271 CB PHE B 559 -11.557 34.472 34.083 1.00 23.18 C ATOM 272 CG PHE B 559 -11.736 34.771 35.525 1.00 23.08 C ATOM 273 CD1 PHE B 559 -10.660 35.185 36.288 1.00 20.75 C ATOM 274 CD2 PHE B 559 -12.996 34.751 36.101 1.00 24.68 C ATOM 275 CE1 PHE B 559 -10.822 35.519 37.636 1.00 25.74 C ATOM 276 CE2 PHE B 559 -13.158 35.072 37.446 1.00 31.45 C ATOM 277 CZ PHE B 559 -12.066 35.466 38.211 1.00 24.16 C ATOM 278 H PHE B 559 -13.590 36.010 32.844 1.00 0.00 H ATOM 279 N GLY B 560 -9.885 35.711 31.424 1.00 20.34 N ATOM 280 CA GLY B 560 -9.381 35.423 30.101 1.00 21.36 C ATOM 281 C GLY B 560 -7.982 34.842 30.168 1.00 22.93 C ATOM 282 O GLY B 560 -7.385 34.715 31.241 1.00 19.55 O ATOM 283 H GLY B 560 -9.253 36.166 32.113 1.00 0.00 H ATOM 284 N SER B 561 -7.477 34.482 28.991 1.00 26.87 N ATOM 285 CA SER B 561 -6.176 33.862 28.800 1.00 24.43 C ATOM 286 C SER B 561 -5.376 34.679 27.801 1.00 24.17 C ATOM 287 O SER B 561 -5.934 35.361 26.954 1.00 25.45 O ATOM 288 CB SER B 561 -6.306 32.426 28.261 1.00 19.72 C ATOM 289 OG SER B 561 -6.832 31.552 29.237 1.00 36.46 O ATOM 290 HG SER B 561 -6.232 31.538 30.024 1.00 0.00 H ATOM 291 H SER B 561 -8.056 34.657 28.145 1.00 0.00 H ATOM 292 N CYS B 562 -4.058 34.581 27.883 1.00 23.02 N ATOM 293 CA CYS B 562 -3.204 35.085 26.822 1.00 27.41 C ATOM 294 C CYS B 562 -2.429 33.911 26.230 1.00 24.72 C ATOM 295 O CYS B 562 -2.478 32.793 26.737 1.00 26.33 O ATOM 296 CB CYS B 562 -2.264 36.181 27.336 1.00 20.11 C ATOM 297 SG CYS B 562 -1.019 35.576 28.498 1.00 27.43 S ATOM 298 H CYS B 562 -3.628 34.137 28.719 1.00 0.00 H ATOM 299 N VAL B 563 -1.699 34.184 25.155 1.00 26.87 N ATOM 300 CA VAL B 563 -1.064 33.164 24.329 1.00 18.24 C ATOM 301 C VAL B 563 0.448 33.351 24.414 1.00 19.87 C ATOM 302 O VAL B 563 0.931 34.481 24.298 1.00 16.89 O ATOM 303 CB VAL B 563 -1.540 33.248 22.867 1.00 26.90 C ATOM 304 CG1 VAL B 563 -0.788 32.272 21.976 1.00 21.84 C ATOM 305 CG2 VAL B 563 -3.054 32.989 22.795 1.00 25.41 C ATOM 306 H VAL B 563 -1.573 35.181 24.887 1.00 0.00 H ATOM 307 N PRO B 564 1.224 32.292 24.621 1.00 19.56 N ATOM 308 CA PRO B 564 2.686 32.429 24.686 1.00 13.46 C ATOM 309 C PRO B 564 3.308 32.603 23.302 1.00 20.39 C ATOM 310 O PRO B 564 2.673 32.394 22.263 1.00 15.79 O ATOM 311 CB PRO B 564 3.156 31.115 25.332 1.00 16.81 C ATOM 312 CG PRO B 564 2.044 30.116 25.046 1.00 15.97 C ATOM 313 CD PRO B 564 0.754 30.929 24.971 1.00 21.09 C ATOM 314 N HIS B 565 4.581 33.004 23.322 1.00 15.55 N ATOM 315 CA HIS B 565 5.419 33.162 22.139 1.00 20.49 C ATOM 316 C HIS B 565 6.338 31.960 21.989 1.00 20.97 C ATOM 317 O HIS B 565 6.775 31.369 22.982 1.00 21.04 O ATOM 318 CB HIS B 565 6.292 34.415 22.246 1.00 15.90 C ATOM 319 CG HIS B 565 5.563 35.687 21.979 1.00 23.68 C ATOM 320 ND1 HIS B 565 4.621 36.203 22.848 1.00 22.95 N ATOM 321 CD2 HIS B 565 5.667 36.575 20.961 1.00 18.96 C ATOM 322 CE1 HIS B 565 4.146 37.330 22.348 1.00 25.58 C ATOM 323 NE2 HIS B 565 4.763 37.578 21.205 1.00 21.21 N ATOM 324 H HIS B 565 5.005 33.219 24.247 1.00 0.00 H ATOM 325 N THR B 566 6.665 31.624 20.741 1.00 23.22 N ATOM 326 CA THR B 566 7.730 30.659 20.504 1.00 19.36 C ATOM 327 C THR B 566 8.430 30.976 19.187 1.00 24.91 C ATOM 328 O THR B 566 7.808 31.469 18.241 1.00 24.70 O ATOM 329 CB THR B 566 7.215 29.214 20.486 1.00 18.96 C ATOM 330 OG1 THR B 566 8.332 28.312 20.541 1.00 18.36 O ATOM 331 CG2 THR B 566 6.372 28.921 19.218 1.00 14.71 C ATOM 332 HG1 THR B 566 8.843 28.472 21.373 1.00 0.00 H ATOM 333 H THR B 566 6.160 32.050 19.938 1.00 0.00 H ATOM 334 N THR B 567 9.738 30.696 19.143 1.00 19.24 N ATOM 335 CA THR B 567 10.498 30.713 17.896 1.00 24.29 C ATOM 336 C THR B 567 10.470 29.378 17.165 1.00 30.73 C ATOM 337 O THR B 567 10.890 29.320 16.005 1.00 28.39 O ATOM 338 CB THR B 567 11.959 31.120 18.139 1.00 25.16 C ATOM 339 OG1 THR B 567 12.621 30.160 18.993 1.00 22.29 O ATOM 340 CG2 THR B 567 12.006 32.503 18.771 1.00 25.30 C ATOM 341 HG1 THR B 567 12.604 29.269 18.561 1.00 0.00 H ATOM 342 H THR B 567 10.230 30.458 20.028 1.00 0.00 H ATOM 343 N ARG B 568 9.978 28.319 17.793 1.00 21.51 N ATOM 344 CA ARG B 568 9.772 27.083 17.066 1.00 23.46 C ATOM 345 C ARG B 568 8.888 27.350 15.844 1.00 27.46 C ATOM 346 O ARG B 568 7.934 28.134 15.926 1.00 25.49 O ATOM 347 CB ARG B 568 9.144 26.028 17.980 1.00 26.68 C ATOM 348 CG ARG B 568 8.507 24.879 17.217 1.00 29.84 C ATOM 349 CD ARG B 568 8.034 23.787 18.144 1.00 26.38 C ATOM 350 NE ARG B 568 6.739 24.012 18.796 1.00 20.13 N ATOM 351 CZ ARG B 568 5.575 24.236 18.180 1.00 22.78 C ATOM 352 NH1 ARG B 568 5.484 24.332 16.852 1.00 21.20 N ATOM 353 NH2 ARG B 568 4.484 24.373 18.911 1.00 19.43 N ATOM 354 HE ARG B 568 6.726 23.996 19.836 1.00 0.00 H ATOM 355 HH12 ARG B 568 4.561 24.507 16.405 1.00 0.00 H ATOM 356 HH11 ARG B 568 6.336 24.232 16.264 1.00 0.00 H ATOM 357 HH22 ARG B 568 3.568 24.548 18.450 1.00 0.00 H ATOM 358 HH21 ARG B 568 4.541 24.306 19.947 1.00 0.00 H ATOM 359 H ARG B 568 9.741 28.375 18.804 1.00 0.00 H ATOM 360 N PRO B 569 9.203 26.779 14.685 1.00 27.30 N ATOM 361 CA PRO B 569 8.367 27.040 13.513 1.00 27.10 C ATOM 362 C PRO B 569 6.992 26.425 13.688 1.00 27.45 C ATOM 363 O PRO B 569 6.802 25.437 14.407 1.00 32.35 O ATOM 364 CB PRO B 569 9.139 26.398 12.352 1.00 32.07 C ATOM 365 CG PRO B 569 10.206 25.590 12.975 1.00 37.50 C ATOM 366 CD PRO B 569 10.488 26.171 14.318 1.00 32.23 C ATOM 367 N LYS B 570 6.025 27.067 13.054 1.00 21.19 N ATOM 368 CA LYS B 570 4.635 26.681 13.173 1.00 23.22 C ATOM 369 C LYS B 570 4.396 25.401 12.393 1.00 24.99 C ATOM 370 O LYS B 570 4.840 25.269 11.251 1.00 29.98 O ATOM 371 CB LYS B 570 3.737 27.807 12.643 1.00 20.48 C ATOM 372 CG LYS B 570 2.274 27.606 12.943 1.00 24.22 C ATOM 373 CD LYS B 570 1.390 28.698 12.313 1.00 23.08 C ATOM 374 CE LYS B 570 1.187 28.485 10.814 1.00 20.51 C ATOM 375 NZ LYS B 570 0.345 27.246 10.585 1.00 31.46 N ATOM 376 HZ1 LYS B 570 0.830 26.419 10.989 1.00 0.00 H ATOM 377 HZ2 LYS B 570 -0.580 27.367 11.045 1.00 0.00 H ATOM 378 HZ3 LYS B 570 0.209 27.105 9.564 1.00 0.00 H ATOM 379 H LYS B 570 6.272 27.877 12.450 1.00 0.00 H ATOM 380 N ARG B 571 3.699 24.458 13.008 1.00 20.60 N ATOM 381 CA ARG B 571 3.202 23.294 12.295 1.00 24.36 C ATOM 382 C ARG B 571 1.984 23.682 11.461 1.00 29.66 C ATOM 383 O ARG B 571 1.240 24.607 11.813 1.00 27.79 O ATOM 384 CB ARG B 571 2.843 22.177 13.281 1.00 20.57 C ATOM 385 CG ARG B 571 3.994 21.778 14.204 1.00 19.39 C ATOM 386 CD ARG B 571 3.565 20.685 15.173 1.00 24.25 C ATOM 387 NE ARG B 571 4.711 20.138 15.903 1.00 31.42 N ATOM 388 CZ ARG B 571 4.992 20.389 17.182 1.00 28.31 C ATOM 389 NH1 ARG B 571 4.205 21.177 17.900 1.00 22.94 N ATOM 390 NH2 ARG B 571 6.065 19.839 17.746 1.00 28.26 N ATOM 391 HE ARG B 571 5.354 19.506 15.385 1.00 0.00 H ATOM 392 HH12 ARG B 571 4.431 21.368 18.897 1.00 0.00 H ATOM 393 HH11 ARG B 571 3.362 21.604 17.466 1.00 0.00 H ATOM 394 HH22 ARG B 571 6.286 20.034 18.743 1.00 0.00 H ATOM 395 HH21 ARG B 571 6.683 19.215 17.189 1.00 0.00 H ATOM 396 H ARG B 571 3.503 24.553 14.025 1.00 0.00 H ATOM 397 N GLU B 572 1.792 22.968 10.343 1.00 23.20 N ATOM 398 CA GLU B 572 0.727 23.308 9.400 1.00 19.75 C ATOM 399 C GLU B 572 -0.610 23.499 10.099 1.00 21.93 C ATOM 400 O GLU B 572 -1.345 24.441 9.804 1.00 26.74 O ATOM 401 CB GLU B 572 0.593 22.222 8.334 1.00 21.87 C ATOM 402 CG GLU B 572 -0.556 22.456 7.309 1.00 23.75 C ATOM 403 CD GLU B 572 -0.593 21.375 6.200 1.00 24.80 C ATOM 404 OE1 GLU B 572 -1.517 21.385 5.367 1.00 28.90 O ATOM 405 OE2 GLU B 572 0.305 20.508 6.159 1.00 25.57 O ATOM 406 H GLU B 572 2.412 22.157 10.142 1.00 0.00 H ATOM 407 N TYR B 573 -0.949 22.605 11.013 1.00 24.98 N ATOM 408 CA TYR B 573 -2.256 22.654 11.639 1.00 22.84 C ATOM 409 C TYR B 573 -2.349 23.709 12.738 1.00 26.77 C ATOM 410 O TYR B 573 -3.460 24.077 13.116 1.00 22.97 O ATOM 411 CB TYR B 573 -2.600 21.282 12.205 1.00 22.59 C ATOM 412 CG TYR B 573 -4.057 21.101 12.546 1.00 24.81 C ATOM 413 CD1 TYR B 573 -5.041 21.231 11.566 1.00 23.68 C ATOM 414 CD2 TYR B 573 -4.457 20.816 13.852 1.00 26.55 C ATOM 415 CE1 TYR B 573 -6.390 21.065 11.869 1.00 25.65 C ATOM 416 CE2 TYR B 573 -5.815 20.652 14.170 1.00 29.00 C ATOM 417 CZ TYR B 573 -6.771 20.772 13.170 1.00 31.98 C ATOM 418 OH TYR B 573 -8.111 20.599 13.446 1.00 33.21 O ATOM 419 HH TYR B 573 -8.636 20.722 12.616 1.00 0.00 H ATOM 420 H TYR B 573 -0.274 21.862 11.284 1.00 0.00 H ATOM 421 N GLU B 574 -1.219 24.197 13.250 1.00 21.72 N ATOM 422 CA GLU B 574 -1.240 25.203 14.295 1.00 25.71 C ATOM 423 C GLU B 574 -1.685 26.547 13.727 1.00 27.14 C ATOM 424 O GLU B 574 -1.625 26.783 12.518 1.00 26.03 O ATOM 425 CB GLU B 574 0.135 25.328 14.949 1.00 21.15 C ATOM 426 CG GLU B 574 0.479 24.125 15.824 1.00 23.03 C ATOM 427 CD GLU B 574 1.934 24.118 16.286 1.00 28.20 C ATOM 428 OE1 GLU B 574 2.811 24.632 15.560 1.00 23.58 O ATOM 429 OE2 GLU B 574 2.206 23.571 17.372 1.00 35.39 O ATOM 430 H GLU B 574 -0.306 23.850 12.894 1.00 0.00 H ATOM 431 N ILE B 575 -2.138 27.429 14.623 1.00 20.99 N ATOM 432 CA ILE B 575 -2.747 28.711 14.246 1.00 28.07 C ATOM 433 C ILE B 575 -2.075 29.830 15.039 1.00 24.63 C ATOM 434 O ILE B 575 -2.163 29.869 16.274 1.00 26.49 O ATOM 435 CB ILE B 575 -4.274 28.711 14.469 1.00 24.41 C ATOM 436 CG1 ILE B 575 -4.926 27.640 13.576 1.00 27.86 C ATOM 437 CG2 ILE B 575 -4.892 30.058 14.124 1.00 23.96 C ATOM 438 CD1 ILE B 575 -6.428 27.712 13.508 1.00 26.57 C ATOM 439 H ILE B 575 -2.055 27.197 15.633 1.00 0.00 H ATOM 440 N ASP B 576 -1.393 30.719 14.332 1.00 20.16 N ATOM 441 CA ASP B 576 -0.727 31.856 14.953 1.00 24.22 C ATOM 442 C ASP B 576 -1.747 32.736 15.670 1.00 29.69 C ATOM 443 O ASP B 576 -2.843 32.986 15.160 1.00 20.29 O ATOM 444 CB ASP B 576 0.025 32.655 13.885 1.00 24.18 C ATOM 445 CG ASP B 576 0.994 33.664 14.471 1.00 27.44 C ATOM 446 OD1 ASP B 576 1.516 33.458 15.589 1.00 30.22 O ATOM 447 OD2 ASP B 576 1.255 34.677 13.799 1.00 40.65 O ATOM 448 H ASP B 576 -1.331 30.601 13.301 1.00 0.00 H ATOM 449 N GLY B 577 -1.389 33.178 16.877 1.00 23.77 N ATOM 450 CA GLY B 577 -2.298 33.899 17.733 1.00 24.14 C ATOM 451 C GLY B 577 -3.249 33.021 18.506 1.00 29.64 C ATOM 452 O GLY B 577 -4.031 33.541 19.311 1.00 33.04 O ATOM 453 H GLY B 577 -0.421 32.996 17.212 1.00 0.00 H ATOM 454 N ARG B 578 -3.221 31.708 18.285 1.00 24.54 N ATOM 455 CA ARG B 578 -4.098 30.786 19.000 1.00 24.59 C ATOM 456 C ARG B 578 -3.287 29.736 19.739 1.00 24.50 C ATOM 457 O ARG B 578 -3.406 29.617 20.963 1.00 27.29 O ATOM 458 CB ARG B 578 -5.095 30.124 18.038 1.00 20.37 C ATOM 459 H ARG B 578 -2.555 31.328 17.582 1.00 0.00 H ATOM 460 N ASP B 579 -2.456 28.976 19.033 1.00 23.20 N ATOM 461 CA ASP B 579 -1.557 28.044 19.701 1.00 25.84 C ATOM 462 C ASP B 579 -0.353 28.772 20.290 1.00 26.47 C ATOM 463 O ASP B 579 -0.018 28.584 21.465 1.00 22.69 O ATOM 464 CB ASP B 579 -1.123 26.955 18.719 1.00 23.60 C ATOM 465 CG ASP B 579 -2.296 26.176 18.174 1.00 25.31 C ATOM 466 OD1 ASP B 579 -2.825 25.315 18.913 1.00 31.07 O ATOM 467 OD2 ASP B 579 -2.695 26.427 17.013 1.00 24.57 O ATOM 468 H ASP B 579 -2.447 29.047 17.995 1.00 0.00 H ATOM 469 N TYR B 580 0.297 29.610 19.486 1.00 18.36 N ATOM 470 CA TYR B 580 1.360 30.478 19.946 1.00 17.35 C ATOM 471 C TYR B 580 1.304 31.738 19.100 1.00 25.18 C ATOM 472 O TYR B 580 0.654 31.768 18.053 1.00 23.01 O ATOM 473 CB TYR B 580 2.746 29.840 19.789 1.00 19.89 C ATOM 474 CG TYR B 580 3.047 28.669 20.693 1.00 20.98 C ATOM 475 CD1 TYR B 580 3.633 28.862 21.949 1.00 18.51 C ATOM 476 CD2 TYR B 580 2.750 27.365 20.297 1.00 22.31 C ATOM 477 CE1 TYR B 580 3.929 27.773 22.775 1.00 18.48 C ATOM 478 CE2 TYR B 580 3.023 26.275 21.127 1.00 21.35 C ATOM 479 CZ TYR B 580 3.622 26.489 22.356 1.00 18.98 C ATOM 480 OH TYR B 580 3.904 25.427 23.172 1.00 21.41 O ATOM 481 HH TYR B 580 4.523 24.810 22.707 1.00 0.00 H ATOM 482 H TYR B 580 0.029 29.643 18.482 1.00 0.00 H ATOM 483 N HIS B 581 2.007 32.779 19.556 1.00 22.67 N ATOM 484 CA HIS B 581 2.490 33.820 18.658 1.00 20.82 C ATOM 485 C HIS B 581 3.820 33.316 18.122 1.00 22.94 C ATOM 486 O HIS B 581 4.819 33.276 18.850 1.00 24.80 O ATOM 487 CB HIS B 581 2.641 35.182 19.341 1.00 17.09 C ATOM 488 CG HIS B 581 1.375 35.688 19.977 1.00 24.35 C ATOM 489 ND1 HIS B 581 0.295 36.139 19.247 1.00 29.26 N ATOM 490 CD2 HIS B 581 1.017 35.800 21.280 1.00 24.81 C ATOM 491 CE1 HIS B 581 -0.673 36.501 20.072 1.00 26.64 C ATOM 492 NE2 HIS B 581 -0.258 36.311 21.312 1.00 25.88 N ATOM 493 H HIS B 581 2.214 32.848 20.573 1.00 0.00 H ATOM 494 N PHE B 582 3.826 32.903 16.866 1.00 17.96 N ATOM 495 CA PHE B 582 5.031 32.352 16.266 1.00 25.49 C ATOM 496 C PHE B 582 5.955 33.490 15.852 1.00 22.06 C ATOM 497 O PHE B 582 5.538 34.413 15.152 1.00 27.02 O ATOM 498 CB PHE B 582 4.640 31.448 15.099 1.00 22.66 C ATOM 499 CG PHE B 582 3.875 30.247 15.545 1.00 21.46 C ATOM 500 CD1 PHE B 582 4.544 29.142 16.056 1.00 22.32 C ATOM 501 CD2 PHE B 582 2.487 30.248 15.536 1.00 21.39 C ATOM 502 CE1 PHE B 582 3.841 28.038 16.500 1.00 23.42 C ATOM 503 CE2 PHE B 582 1.781 29.154 15.986 1.00 21.81 C ATOM 504 CZ PHE B 582 2.456 28.050 16.474 1.00 23.02 C ATOM 505 H PHE B 582 2.957 32.973 16.299 1.00 0.00 H ATOM 506 N VAL B 583 7.184 33.453 16.337 1.00 22.64 N ATOM 507 CA VAL B 583 8.178 34.486 16.067 1.00 28.18 C ATOM 508 C VAL B 583 9.165 33.948 15.034 1.00 34.56 C ATOM 509 O VAL B 583 9.729 32.856 15.205 1.00 31.48 O ATOM 510 CB VAL B 583 8.905 34.909 17.355 1.00 28.57 C ATOM 511 CG1 VAL B 583 9.823 36.088 17.075 1.00 26.01 C ATOM 512 CG2 VAL B 583 7.894 35.237 18.466 1.00 24.98 C ATOM 513 H VAL B 583 7.455 32.650 16.939 1.00 0.00 H ATOM 514 N SER B 584 9.384 34.714 13.967 1.00 34.77 N ATOM 515 CA SER B 584 10.227 34.206 12.892 1.00 38.30 C ATOM 516 C SER B 584 11.715 34.444 13.160 1.00 35.31 C ATOM 517 O SER B 584 12.554 33.661 12.698 1.00 32.08 O ATOM 518 CB SER B 584 9.790 34.816 11.552 1.00 40.94 C ATOM 519 OG SER B 584 9.978 36.219 11.502 1.00 40.11 O ATOM 520 HG SER B 584 9.682 36.559 10.621 1.00 0.00 H ATOM 521 H SER B 584 8.960 35.661 13.902 1.00 0.00 H ATOM 522 N SER B 585 12.067 35.477 13.930 1.00 36.77 N ATOM 523 CA SER B 585 13.463 35.783 14.228 1.00 34.60 C ATOM 524 C SER B 585 13.803 35.414 15.669 1.00 33.02 C ATOM 525 O SER B 585 13.364 36.081 16.614 1.00 27.57 O ATOM 526 CB SER B 585 13.777 37.254 13.993 1.00 33.59 C ATOM 527 OG SER B 585 15.091 37.502 14.473 1.00 39.51 O ATOM 528 HG SER B 585 15.133 37.292 15.440 1.00 0.00 H ATOM 529 H SER B 585 11.323 36.083 14.330 1.00 0.00 H ATOM 530 N ARG B 586 14.635 34.390 15.829 1.00 27.91 N ATOM 531 CA ARG B 586 15.121 34.056 17.156 1.00 27.83 C ATOM 532 C ARG B 586 15.925 35.204 17.762 1.00 34.79 C ATOM 533 O ARG B 586 15.837 35.461 18.970 1.00 30.53 O ATOM 534 CB ARG B 586 15.955 32.778 17.093 1.00 32.40 C ATOM 535 CG ARG B 586 16.093 32.109 18.450 1.00 34.63 C ATOM 536 CD ARG B 586 17.308 31.238 18.490 1.00 36.86 C ATOM 537 NE ARG B 586 17.825 31.026 19.843 1.00 30.48 N ATOM 538 CZ ARG B 586 17.656 29.900 20.515 1.00 31.80 C ATOM 539 NH1 ARG B 586 16.962 28.908 19.970 1.00 35.20 N ATOM 540 NH2 ARG B 586 18.177 29.758 21.719 1.00 38.99 N ATOM 541 HE ARG B 586 18.351 31.799 20.298 1.00 0.00 H ATOM 542 HH12 ARG B 586 16.826 28.020 20.494 1.00 0.00 H ATOM 543 HH11 ARG B 586 16.555 29.019 19.020 1.00 0.00 H ATOM 544 HH22 ARG B 586 18.041 28.870 22.243 1.00 0.00 H ATOM 545 HH21 ARG B 586 18.724 30.534 22.144 1.00 0.00 H ATOM 546 H ARG B 586 14.937 33.830 15.006 1.00 0.00 H ATOM 547 N GLU B 587 16.700 35.924 16.940 1.00 31.47 N ATOM 548 CA GLU B 587 17.416 37.092 17.456 1.00 31.77 C ATOM 549 C GLU B 587 16.453 38.135 18.024 1.00 28.61 C ATOM 550 O GLU B 587 16.700 38.699 19.097 1.00 27.35 O ATOM 551 CB GLU B 587 18.290 37.716 16.363 1.00 31.79 C ATOM 552 H GLU B 587 16.793 35.654 15.940 1.00 0.00 H ATOM 553 N LYS B 588 15.350 38.398 17.321 1.00 32.20 N ATOM 554 CA LYS B 588 14.343 39.327 17.821 1.00 31.46 C ATOM 555 C LYS B 588 13.862 38.914 19.211 1.00 32.24 C ATOM 556 O LYS B 588 13.846 39.726 20.142 1.00 27.82 O ATOM 557 CB LYS B 588 13.176 39.404 16.831 1.00 40.46 C ATOM 558 CG LYS B 588 11.846 39.932 17.395 1.00 46.02 C ATOM 559 CD LYS B 588 11.831 41.448 17.543 1.00 53.63 C ATOM 560 CE LYS B 588 10.414 41.966 17.866 1.00 53.50 C ATOM 561 NZ LYS B 588 10.442 43.236 18.662 1.00 44.63 N ATOM 562 HZ1 LYS B 588 10.938 43.069 19.561 1.00 0.00 H ATOM 563 HZ2 LYS B 588 10.940 43.972 18.121 1.00 0.00 H ATOM 564 HZ3 LYS B 588 9.468 43.545 18.854 1.00 0.00 H ATOM 565 H LYS B 588 15.206 37.933 16.402 1.00 0.00 H ATOM 566 N MET B 589 13.508 37.639 19.384 1.00 30.13 N ATOM 567 CA MET B 589 13.007 37.200 20.683 1.00 27.61 C ATOM 568 C MET B 589 14.095 37.256 21.746 1.00 29.35 C ATOM 569 O MET B 589 13.828 37.645 22.892 1.00 26.85 O ATOM 570 CB MET B 589 12.423 35.796 20.578 1.00 28.96 C ATOM 571 CG MET B 589 11.805 35.313 21.886 1.00 27.58 C ATOM 572 SD MET B 589 10.392 34.225 21.651 1.00 25.22 S ATOM 573 CE MET B 589 10.113 33.679 23.351 1.00 18.72 C ATOM 574 H MET B 589 13.589 36.962 18.598 1.00 0.00 H ATOM 575 N GLU B 590 15.328 36.874 21.390 1.00 31.38 N ATOM 576 CA GLU B 590 16.445 36.987 22.325 1.00 28.98 C ATOM 577 C GLU B 590 16.628 38.424 22.810 1.00 29.88 C ATOM 578 O GLU B 590 16.867 38.648 24.008 1.00 28.46 O ATOM 579 CB GLU B 590 17.736 36.477 21.673 1.00 31.10 C ATOM 580 CG GLU B 590 18.027 35.016 21.955 1.00 39.20 C ATOM 581 CD GLU B 590 19.197 34.459 21.149 1.00 49.96 C ATOM 582 OE1 GLU B 590 20.026 35.254 20.657 1.00 56.90 O ATOM 583 OE2 GLU B 590 19.287 33.217 21.010 1.00 52.43 O ATOM 584 H GLU B 590 15.493 36.492 20.437 1.00 0.00 H ATOM 585 N LYS B 591 16.529 39.415 21.897 1.00 27.94 N ATOM 586 CA LYS B 591 16.670 40.817 22.301 1.00 30.62 C ATOM 587 C LYS B 591 15.521 41.227 23.217 1.00 29.34 C ATOM 588 O LYS B 591 15.748 41.817 24.273 1.00 27.05 O ATOM 589 CB LYS B 591 16.784 41.760 21.081 1.00 27.95 C ATOM 590 CG LYS B 591 17.135 43.277 21.418 1.00 63.67 C ATOM 591 CD LYS B 591 18.217 43.539 22.470 1.00 58.83 C ATOM 592 CE LYS B 591 17.971 44.908 23.097 1.00 57.71 C ATOM 593 NZ LYS B 591 18.378 44.868 24.529 1.00 53.88 N ATOM 594 HZ1 LYS B 591 17.817 44.148 25.028 1.00 0.00 H ATOM 595 HZ2 LYS B 591 19.388 44.629 24.595 1.00 0.00 H ATOM 596 HZ3 LYS B 591 18.212 45.799 24.961 1.00 0.00 H ATOM 597 H LYS B 591 16.351 39.181 20.899 1.00 0.00 H ATOM 598 N ASP B 592 14.300 40.834 22.866 1.00 25.33 N ATOM 599 CA ASP B 592 13.160 41.163 23.722 1.00 25.02 C ATOM 600 C ASP B 592 13.265 40.522 25.110 1.00 26.79 C ATOM 601 O ASP B 592 12.890 41.136 26.125 1.00 24.80 O ATOM 602 CB ASP B 592 11.873 40.751 23.026 1.00 29.21 C ATOM 603 CG ASP B 592 11.584 41.616 21.822 1.00 33.37 C ATOM 604 OD1 ASP B 592 12.190 42.718 21.722 1.00 31.19 O ATOM 605 OD2 ASP B 592 10.750 41.209 20.995 1.00 40.19 O ATOM 606 H ASP B 592 14.156 40.296 21.988 1.00 0.00 H ATOM 607 N ILE B 593 13.773 39.291 25.180 1.00 22.80 N ATOM 608 CA ILE B 593 13.970 38.664 26.481 1.00 21.41 C ATOM 609 C ILE B 593 14.957 39.476 27.316 1.00 26.14 C ATOM 610 O ILE B 593 14.707 39.766 28.496 1.00 21.71 O ATOM 611 CB ILE B 593 14.410 37.198 26.302 1.00 19.39 C ATOM 612 CG1 ILE B 593 13.212 36.350 25.866 1.00 24.79 C ATOM 613 CG2 ILE B 593 15.014 36.659 27.582 1.00 24.88 C ATOM 614 CD1 ILE B 593 13.605 34.943 25.358 1.00 23.29 C ATOM 615 H ILE B 593 14.027 38.781 24.310 1.00 0.00 H ATOM 616 N GLN B 594 16.072 39.897 26.708 1.00 30.54 N ATOM 617 CA GLN B 594 17.072 40.679 27.437 1.00 33.62 C ATOM 618 C GLN B 594 16.567 42.087 27.763 1.00 29.51 C ATOM 619 O GLN B 594 16.966 42.661 28.781 1.00 29.68 O ATOM 620 CB GLN B 594 18.389 40.697 26.634 1.00 34.01 C ATOM 621 CG GLN B 594 19.447 41.750 27.102 1.00 46.48 C ATOM 622 CD GLN B 594 20.699 41.828 26.192 1.00 62.38 C ATOM 623 OE1 GLN B 594 20.744 42.622 25.240 1.00 60.00 O ATOM 624 NE2 GLN B 594 21.696 40.989 26.468 1.00 54.63 N ATOM 625 HE22 GLN B 594 21.620 40.338 27.276 1.00 0.00 H ATOM 626 HE21 GLN B 594 22.551 40.985 25.876 1.00 0.00 H ATOM 627 H GLN B 594 16.230 39.666 25.706 1.00 0.00 H ATOM 628 N ALA B 595 15.652 42.645 26.962 1.00 26.66 N ATOM 629 CA ALA B 595 14.986 43.898 27.342 1.00 27.77 C ATOM 630 C ALA B 595 13.785 43.691 28.290 1.00 29.26 C ATOM 631 O ALA B 595 12.936 44.585 28.379 1.00 30.59 O ATOM 632 CB ALA B 595 14.521 44.671 26.106 1.00 22.86 C ATOM 633 H ALA B 595 15.410 42.187 26.060 1.00 0.00 H ATOM 634 N HIS B 596 13.676 42.543 28.969 1.00 22.74 N ATOM 635 CA HIS B 596 12.647 42.322 29.998 1.00 28.17 C ATOM 636 C HIS B 596 11.222 42.405 29.447 1.00 25.84 C ATOM 637 O HIS B 596 10.289 42.835 30.136 1.00 25.30 O ATOM 638 CB HIS B 596 12.842 43.295 31.165 1.00 28.89 C ATOM 639 CG HIS B 596 14.215 43.215 31.757 1.00 36.44 C ATOM 640 ND1 HIS B 596 15.258 44.007 31.328 1.00 43.03 N ATOM 641 CD2 HIS B 596 14.732 42.390 32.700 1.00 44.61 C ATOM 642 CE1 HIS B 596 16.353 43.691 31.998 1.00 44.47 C ATOM 643 NE2 HIS B 596 16.059 42.717 32.842 1.00 42.38 N ATOM 644 H HIS B 596 14.346 41.775 28.761 1.00 0.00 H ATOM 645 N LYS B 597 11.027 41.986 28.207 1.00 20.53 N ATOM 646 CA LYS B 597 9.688 41.987 27.653 1.00 21.01 C ATOM 647 C LYS B 597 8.886 40.739 28.038 1.00 24.75 C ATOM 648 O LYS B 597 7.695 40.664 27.714 1.00 21.02 O ATOM 649 CB LYS B 597 9.767 42.123 26.133 1.00 24.10 C ATOM 650 CG LYS B 597 10.449 43.403 25.658 1.00 30.44 C ATOM 651 CD LYS B 597 9.671 44.639 26.041 1.00 35.78 C ATOM 652 CE LYS B 597 10.361 45.903 25.515 1.00 42.05 C ATOM 653 NZ LYS B 597 10.658 45.817 24.054 1.00 50.84 N ATOM 654 HZ1 LYS B 597 11.286 45.007 23.876 1.00 0.00 H ATOM 655 HZ2 LYS B 597 9.770 45.690 23.528 1.00 0.00 H ATOM 656 HZ3 LYS B 597 11.124 46.694 23.744 1.00 0.00 H ATOM 657 H LYS B 597 11.830 41.658 27.633 1.00 0.00 H ATOM 658 N PHE B 598 9.491 39.772 28.731 1.00 18.17 N ATOM 659 CA PHE B 598 8.827 38.525 29.077 1.00 22.16 C ATOM 660 C PHE B 598 8.820 38.356 30.587 1.00 21.33 C ATOM 661 O PHE B 598 9.802 38.668 31.264 1.00 23.67 O ATOM 662 CB PHE B 598 9.493 37.320 28.385 1.00 18.00 C ATOM 663 CG PHE B 598 9.180 37.242 26.917 1.00 21.91 C ATOM 664 CD1 PHE B 598 9.971 37.925 25.988 1.00 18.52 C ATOM 665 CD2 PHE B 598 8.069 36.533 26.464 1.00 17.82 C ATOM 666 CE1 PHE B 598 9.676 37.888 24.634 1.00 19.16 C ATOM 667 CE2 PHE B 598 7.755 36.488 25.098 1.00 18.64 C ATOM 668 CZ PHE B 598 8.551 37.166 24.182 1.00 19.08 C ATOM 669 H PHE B 598 10.475 39.916 29.035 1.00 0.00 H ATOM 670 N ILE B 599 7.675 37.922 31.116 1.00 21.82 N ATOM 671 CA ILE B 599 7.604 37.542 32.526 1.00 21.85 C ATOM 672 C ILE B 599 8.191 36.158 32.749 1.00 23.22 C ATOM 673 O ILE B 599 8.449 35.766 33.890 1.00 19.50 O ATOM 674 CB ILE B 599 6.147 37.603 33.037 1.00 21.14 C ATOM 675 CG1 ILE B 599 5.331 36.420 32.509 1.00 21.54 C ATOM 676 CG2 ILE B 599 5.494 38.890 32.612 1.00 17.79 C ATOM 677 CD1 ILE B 599 3.853 36.432 32.888 1.00 19.71 C ATOM 678 H ILE B 599 6.825 37.853 30.520 1.00 0.00 H ATOM 679 N GLU B 600 8.434 35.415 31.678 1.00 21.02 N ATOM 680 CA GLU B 600 8.868 34.037 31.796 1.00 25.70 C ATOM 681 C GLU B 600 9.390 33.637 30.434 1.00 23.36 C ATOM 682 O GLU B 600 8.763 33.960 29.430 1.00 18.96 O ATOM 683 CB GLU B 600 7.696 33.131 32.200 1.00 24.32 C ATOM 684 CG GLU B 600 8.030 31.661 32.317 1.00 23.51 C ATOM 685 CD GLU B 600 6.994 30.925 33.168 1.00 26.67 C ATOM 686 OE1 GLU B 600 7.186 30.868 34.408 1.00 24.19 O ATOM 687 OE2 GLU B 600 5.994 30.427 32.597 1.00 18.99 O ATOM 688 H GLU B 600 8.310 35.830 30.732 1.00 0.00 H ATOM 689 N ALA B 601 10.518 32.937 30.404 1.00 18.72 N ATOM 690 CA ALA B 601 11.077 32.541 29.127 1.00 22.40 C ATOM 691 C ALA B 601 12.109 31.446 29.347 1.00 22.74 C ATOM 692 O ALA B 601 12.776 31.395 30.386 1.00 21.75 O ATOM 693 CB ALA B 601 11.692 33.738 28.393 1.00 21.18 C ATOM 694 H ALA B 601 10.996 32.675 31.290 1.00 0.00 H ATOM 695 N GLY B 602 12.237 30.577 28.351 1.00 22.14 N ATOM 696 CA GLY B 602 13.183 29.482 28.442 1.00 20.09 C ATOM 697 C GLY B 602 13.302 28.778 27.108 1.00 20.60 C ATOM 698 O GLY B 602 12.678 29.160 26.115 1.00 20.26 O ATOM 699 H GLY B 602 11.653 30.683 27.497 1.00 0.00 H ATOM 700 N GLN B 603 14.111 27.722 27.103 1.00 17.89 N ATOM 701 CA GLN B 603 14.456 27.025 25.876 1.00 24.73 C ATOM 702 C GLN B 603 14.051 25.559 25.969 1.00 20.52 C ATOM 703 O GLN B 603 14.225 24.920 27.010 1.00 17.66 O ATOM 704 CB GLN B 603 15.967 27.144 25.586 1.00 22.99 C ATOM 705 CG GLN B 603 16.330 26.744 24.182 1.00 28.12 C ATOM 706 CD GLN B 603 17.778 27.052 23.828 1.00 41.83 C ATOM 707 OE1 GLN B 603 18.109 27.241 22.653 1.00 38.37 O ATOM 708 NE2 GLN B 603 18.646 27.107 24.839 1.00 44.32 N ATOM 709 HE22 GLN B 603 18.321 26.941 25.813 1.00 0.00 H ATOM 710 HE21 GLN B 603 19.648 27.316 24.654 1.00 0.00 H ATOM 711 H GLN B 603 14.508 27.386 28.004 1.00 0.00 H ATOM 712 N TYR B 604 13.513 25.030 24.873 1.00 22.38 N ATOM 713 CA TYR B 604 13.210 23.611 24.775 1.00 23.62 C ATOM 714 C TYR B 604 13.460 23.149 23.347 1.00 21.07 C ATOM 715 O TYR B 604 13.008 23.799 22.398 1.00 17.29 O ATOM 716 CB TYR B 604 11.759 23.317 25.185 1.00 18.89 C ATOM 717 CG TYR B 604 11.295 21.936 24.791 1.00 23.18 C ATOM 718 CD1 TYR B 604 11.918 20.796 25.313 1.00 16.99 C ATOM 719 CD2 TYR B 604 10.249 21.765 23.882 1.00 20.86 C ATOM 720 CE1 TYR B 604 11.509 19.531 24.943 1.00 16.75 C ATOM 721 CE2 TYR B 604 9.827 20.490 23.516 1.00 22.53 C ATOM 722 CZ TYR B 604 10.465 19.385 24.049 1.00 22.25 C ATOM 723 OH TYR B 604 10.052 18.127 23.690 1.00 29.22 O ATOM 724 HH TYR B 604 10.607 17.453 24.156 1.00 0.00 H ATOM 725 H TYR B 604 13.303 25.649 24.064 1.00 0.00 H ATOM 726 N ASN B 605 14.172 22.026 23.203 1.00 21.16 N ATOM 727 CA ASN B 605 14.440 21.449 21.881 1.00 25.50 C ATOM 728 C ASN B 605 15.070 22.492 20.961 1.00 21.97 C ATOM 729 O ASN B 605 14.729 22.596 19.786 1.00 23.27 O ATOM 730 CB ASN B 605 13.158 20.899 21.258 1.00 26.65 C ATOM 731 CG ASN B 605 13.214 19.408 21.014 1.00 28.41 C ATOM 732 OD1 ASN B 605 14.265 18.799 21.126 1.00 40.57 O ATOM 733 ND2 ASN B 605 12.073 18.813 20.665 1.00 26.78 N ATOM 734 HD22 ASN B 605 11.200 19.371 20.581 1.00 0.00 H ATOM 735 HD21 ASN B 605 12.056 17.790 20.476 1.00 0.00 H ATOM 736 H ASN B 605 14.545 21.550 24.049 1.00 0.00 H ATOM 737 N SER B 606 15.928 23.330 21.540 1.00 21.66 N ATOM 738 CA SER B 606 16.649 24.418 20.884 1.00 32.30 C ATOM 739 C SER B 606 15.780 25.598 20.421 1.00 33.43 C ATOM 740 O SER B 606 16.297 26.467 19.717 1.00 30.02 O ATOM 741 CB SER B 606 17.460 23.891 19.690 1.00 39.71 C ATOM 742 OG SER B 606 16.596 23.489 18.638 1.00 43.35 O ATOM 743 HG SER B 606 15.996 22.771 18.961 1.00 0.00 H ATOM 744 H SER B 606 16.101 23.197 22.557 1.00 0.00 H ATOM 745 N HIS B 607 14.495 25.683 20.799 1.00 26.04 N ATOM 746 CA HIS B 607 13.688 26.866 20.504 1.00 23.45 C ATOM 747 C HIS B 607 13.239 27.579 21.776 1.00 21.20 C ATOM 748 O HIS B 607 13.137 26.986 22.853 1.00 21.34 O ATOM 749 CB HIS B 607 12.446 26.523 19.684 1.00 26.91 C ATOM 750 CG HIS B 607 12.750 25.811 18.406 1.00 35.76 C ATOM 751 ND1 HIS B 607 13.345 26.435 17.328 1.00 29.84 N ATOM 752 CD2 HIS B 607 12.548 24.524 18.036 1.00 30.40 C ATOM 753 CE1 HIS B 607 13.493 25.561 16.348 1.00 34.62 C ATOM 754 NE2 HIS B 607 13.024 24.394 16.754 1.00 34.97 N ATOM 755 H HIS B 607 14.063 24.889 21.314 1.00 0.00 H ATOM 756 N LEU B 608 12.949 28.870 21.623 1.00 20.18 N ATOM 757 CA LEU B 608 12.588 29.739 22.730 1.00 22.09 C ATOM 758 C LEU B 608 11.080 29.751 22.936 1.00 20.26 C ATOM 759 O LEU B 608 10.302 29.603 21.991 1.00 20.41 O ATOM 760 CB LEU B 608 13.084 31.167 22.490 1.00 21.35 C ATOM 761 CG LEU B 608 14.590 31.242 22.279 1.00 26.87 C ATOM 762 CD1 LEU B 608 15.029 32.698 22.119 1.00 26.53 C ATOM 763 CD2 LEU B 608 15.320 30.540 23.438 1.00 23.30 C ATOM 764 H LEU B 608 12.983 29.275 20.666 1.00 0.00 H ATOM 765 N TYR B 609 10.684 29.926 24.194 1.00 19.01 N ATOM 766 CA TYR B 609 9.295 29.941 24.641 1.00 20.67 C ATOM 767 C TYR B 609 9.156 31.017 25.707 1.00 20.98 C ATOM 768 O TYR B 609 10.051 31.180 26.541 1.00 20.51 O ATOM 769 CB TYR B 609 8.871 28.578 25.232 1.00 17.51 C ATOM 770 CG TYR B 609 8.765 27.484 24.189 1.00 19.58 C ATOM 771 CD1 TYR B 609 9.889 26.783 23.787 1.00 17.96 C ATOM 772 CD2 TYR B 609 7.546 27.163 23.602 1.00 16.09 C ATOM 773 CE1 TYR B 609 9.807 25.783 22.823 1.00 20.96 C ATOM 774 CE2 TYR B 609 7.452 26.173 22.639 1.00 19.53 C ATOM 775 CZ TYR B 609 8.597 25.483 22.258 1.00 18.15 C ATOM 776 OH TYR B 609 8.549 24.496 21.305 1.00 22.07 O ATOM 777 HH TYR B 609 9.457 24.124 21.170 1.00 0.00 H ATOM 778 H TYR B 609 11.421 30.063 24.915 1.00 0.00 H ATOM 779 N GLY B 610 8.039 31.731 25.714 1.00 22.17 N ATOM 780 CA GLY B 610 7.864 32.710 26.775 1.00 20.48 C ATOM 781 C GLY B 610 6.491 33.338 26.778 1.00 22.25 C ATOM 782 O GLY B 610 5.783 33.359 25.757 1.00 21.27 O ATOM 783 H GLY B 610 7.311 31.595 24.984 1.00 0.00 H ATOM 784 N THR B 611 6.123 33.860 27.946 1.00 17.59 N ATOM 785 CA THR B 611 4.912 34.656 28.091 1.00 17.37 C ATOM 786 C THR B 611 5.311 36.119 28.181 1.00 16.45 C ATOM 787 O THR B 611 6.121 36.493 29.037 1.00 18.33 O ATOM 788 CB THR B 611 4.111 34.221 29.314 1.00 19.39 C ATOM 789 OG1 THR B 611 3.738 32.858 29.135 1.00 18.13 O ATOM 790 CG2 THR B 611 2.827 35.074 29.469 1.00 14.49 C ATOM 791 HG1 THR B 611 4.553 32.303 29.045 1.00 0.00 H ATOM 792 H THR B 611 6.719 33.694 28.782 1.00 0.00 H ATOM 793 N SER B 612 4.763 36.940 27.291 1.00 15.07 N ATOM 794 CA SER B 612 5.236 38.311 27.170 1.00 15.64 C ATOM 795 C SER B 612 4.445 39.247 28.080 1.00 17.29 C ATOM 796 O SER B 612 3.261 39.035 28.354 1.00 17.91 O ATOM 797 CB SER B 612 5.157 38.787 25.715 1.00 17.07 C ATOM 798 OG SER B 612 3.857 39.232 25.361 1.00 21.37 O ATOM 799 HG SER B 612 3.857 39.528 24.416 1.00 0.00 H ATOM 800 H SER B 612 3.993 36.601 26.679 1.00 0.00 H ATOM 801 N VAL B 613 5.129 40.285 28.560 1.00 20.82 N ATOM 802 CA VAL B 613 4.473 41.309 29.376 1.00 17.67 C ATOM 803 C VAL B 613 3.256 41.847 28.643 1.00 19.49 C ATOM 804 O VAL B 613 2.141 41.907 29.186 1.00 19.09 O ATOM 805 CB VAL B 613 5.469 42.435 29.714 1.00 19.05 C ATOM 806 CG1 VAL B 613 4.742 43.621 30.324 1.00 21.44 C ATOM 807 CG2 VAL B 613 6.604 41.915 30.647 1.00 17.66 C ATOM 808 H VAL B 613 6.144 40.369 28.352 1.00 0.00 H ATOM 809 N GLN B 614 3.455 42.208 27.377 1.00 17.72 N ATOM 810 CA GLN B 614 2.407 42.842 26.590 1.00 17.40 C ATOM 811 C GLN B 614 1.173 41.951 26.441 1.00 24.92 C ATOM 812 O GLN B 614 0.038 42.457 26.476 1.00 23.77 O ATOM 813 CB GLN B 614 2.974 43.221 25.224 1.00 21.96 C ATOM 814 CG GLN B 614 1.964 43.810 24.280 1.00 28.32 C ATOM 815 CD GLN B 614 1.370 45.107 24.804 1.00 32.89 C ATOM 816 OE1 GLN B 614 1.858 45.698 25.779 1.00 32.13 O ATOM 817 NE2 GLN B 614 0.303 45.559 24.154 1.00 42.16 N ATOM 818 HE22 GLN B 614 -0.073 45.031 23.341 1.00 0.00 H ATOM 819 HE21 GLN B 614 -0.156 46.441 24.458 1.00 0.00 H ATOM 820 H GLN B 614 4.382 42.033 26.939 1.00 0.00 H ATOM 821 N SER B 615 1.369 40.622 26.272 1.00 19.42 N ATOM 822 CA SER B 615 0.234 39.700 26.144 1.00 20.80 C ATOM 823 C SER B 615 -0.620 39.706 27.403 1.00 22.28 C ATOM 824 O SER B 615 -1.852 39.598 27.333 1.00 17.63 O ATOM 825 CB SER B 615 0.711 38.266 25.880 1.00 20.32 C ATOM 826 OG SER B 615 1.123 38.048 24.541 1.00 28.99 O ATOM 827 HG SER B 615 1.873 38.656 24.325 1.00 0.00 H ATOM 828 H SER B 615 2.339 40.249 26.232 1.00 0.00 H ATOM 829 N VAL B 616 0.019 39.788 28.571 1.00 16.46 N ATOM 830 CA VAL B 616 -0.736 39.943 29.813 1.00 16.70 C ATOM 831 C VAL B 616 -1.428 41.312 29.839 1.00 20.67 C ATOM 832 O VAL B 616 -2.635 41.416 30.091 1.00 18.02 O ATOM 833 CB VAL B 616 0.201 39.745 31.016 1.00 18.56 C ATOM 834 CG1 VAL B 616 -0.557 39.803 32.336 1.00 20.10 C ATOM 835 CG2 VAL B 616 0.998 38.417 30.873 1.00 18.07 C ATOM 836 H VAL B 616 1.058 39.742 28.598 1.00 0.00 H ATOM 837 N ARG B 617 -0.680 42.372 29.520 1.00 16.93 N ATOM 838 CA ARG B 617 -1.223 43.732 29.568 1.00 21.63 C ATOM 839 C ARG B 617 -2.480 43.872 28.713 1.00 22.62 C ATOM 840 O ARG B 617 -3.450 44.507 29.134 1.00 26.71 O ATOM 841 CB ARG B 617 -0.151 44.739 29.121 1.00 21.80 C ATOM 842 CG ARG B 617 -0.564 46.226 29.180 1.00 25.87 C ATOM 843 CD ARG B 617 0.534 47.121 28.568 1.00 23.48 C ATOM 844 NE ARG B 617 1.675 47.236 29.469 1.00 25.16 N ATOM 845 CZ ARG B 617 2.917 46.858 29.186 1.00 31.68 C ATOM 846 NH1 ARG B 617 3.217 46.319 28.004 1.00 25.84 N ATOM 847 NH2 ARG B 617 3.866 47.013 30.103 1.00 28.87 N ATOM 848 HE ARG B 617 1.503 47.647 30.409 1.00 0.00 H ATOM 849 HH12 ARG B 617 4.194 46.028 27.798 1.00 0.00 H ATOM 850 HH11 ARG B 617 2.474 46.189 27.288 1.00 0.00 H ATOM 851 HH22 ARG B 617 4.842 46.722 29.895 1.00 0.00 H ATOM 852 HH21 ARG B 617 3.632 47.426 31.029 1.00 0.00 H ATOM 853 H ARG B 617 0.309 42.229 29.231 1.00 0.00 H ATOM 854 N GLU B 618 -2.500 43.249 27.527 1.00 26.12 N ATOM 855 CA GLU B 618 -3.654 43.379 26.636 1.00 26.96 C ATOM 856 C GLU B 618 -4.911 42.805 27.266 1.00 25.87 C ATOM 857 O GLU B 618 -6.001 43.364 27.123 1.00 24.09 O ATOM 858 CB GLU B 618 -3.378 42.679 25.305 1.00 24.61 C ATOM 859 CG GLU B 618 -2.226 43.306 24.569 1.00 33.37 C ATOM 860 CD GLU B 618 -1.905 42.630 23.254 1.00 40.10 C ATOM 861 OE1 GLU B 618 -2.151 41.408 23.129 1.00 42.32 O ATOM 862 OE2 GLU B 618 -1.394 43.334 22.351 1.00 48.29 O ATOM 863 H GLU B 618 -1.688 42.668 27.237 1.00 0.00 H ATOM 864 N VAL B 619 -4.786 41.665 27.929 1.00 22.85 N ATOM 865 CA VAL B 619 -5.932 41.085 28.603 1.00 21.97 C ATOM 866 C VAL B 619 -6.355 41.971 29.763 1.00 20.44 C ATOM 867 O VAL B 619 -7.534 42.309 29.905 1.00 22.72 O ATOM 868 CB VAL B 619 -5.596 39.658 29.070 1.00 21.54 C ATOM 869 CG1 VAL B 619 -6.794 39.052 29.800 1.00 16.05 C ATOM 870 CG2 VAL B 619 -5.108 38.798 27.852 1.00 17.68 C ATOM 871 H VAL B 619 -3.864 41.185 27.966 1.00 0.00 H ATOM 872 N ALA B 620 -5.390 42.370 30.596 1.00 16.79 N ATOM 873 CA ALA B 620 -5.674 43.238 31.737 1.00 26.96 C ATOM 874 C ALA B 620 -6.348 44.536 31.299 1.00 28.91 C ATOM 875 O ALA B 620 -7.300 44.993 31.942 1.00 29.34 O ATOM 876 CB ALA B 620 -4.383 43.541 32.504 1.00 15.68 C ATOM 877 H ALA B 620 -4.413 42.055 30.429 1.00 0.00 H ATOM 878 N GLU B 621 -5.873 45.134 30.197 1.00 27.94 N ATOM 879 CA GLU B 621 -6.421 46.403 29.706 1.00 33.56 C ATOM 880 C GLU B 621 -7.859 46.262 29.232 1.00 33.80 C ATOM 881 O GLU B 621 -8.608 47.242 29.242 1.00 34.99 O ATOM 882 CB GLU B 621 -5.579 46.949 28.554 1.00 25.01 C ATOM 883 CG GLU B 621 -4.246 47.472 28.983 1.00 29.37 C ATOM 884 CD GLU B 621 -3.476 48.060 27.824 1.00 38.45 C ATOM 885 OE1 GLU B 621 -3.749 47.651 26.659 1.00 34.79 O ATOM 886 OE2 GLU B 621 -2.615 48.937 28.090 1.00 40.71 O ATOM 887 H GLU B 621 -5.093 44.685 29.675 1.00 0.00 H ATOM 888 N GLN B 622 -8.242 45.079 28.775 1.00 29.72 N ATOM 889 CA GLN B 622 -9.615 44.816 28.404 1.00 29.94 C ATOM 890 C GLN B 622 -10.494 44.484 29.611 1.00 37.22 C ATOM 891 O GLN B 622 -11.633 44.042 29.434 1.00 26.25 O ATOM 892 CB GLN B 622 -9.657 43.685 27.382 1.00 33.53 C ATOM 893 CG GLN B 622 -9.525 44.191 25.965 1.00 49.35 C ATOM 894 CD GLN B 622 -8.568 43.370 25.131 1.00 62.52 C ATOM 895 OE1 GLN B 622 -8.387 42.172 25.368 1.00 56.84 O ATOM 896 NE2 GLN B 622 -7.950 44.011 24.140 1.00 70.19 N ATOM 897 HE22 GLN B 622 -8.135 45.022 23.979 1.00 0.00 H ATOM 898 HE21 GLN B 622 -7.282 43.501 23.527 1.00 0.00 H ATOM 899 H GLN B 622 -7.537 44.320 28.681 1.00 0.00 H ATOM 900 N GLY B 623 -9.986 44.680 30.827 1.00 32.09 N ATOM 901 CA GLY B 623 -10.806 44.474 32.001 1.00 35.51 C ATOM 902 C GLY B 623 -11.078 43.040 32.379 1.00 33.45 C ATOM 903 O GLY B 623 -12.030 42.785 33.122 1.00 33.98 O ATOM 904 H GLY B 623 -8.996 44.982 30.933 1.00 0.00 H ATOM 905 N LYS B 624 -10.284 42.086 31.902 1.00 31.70 N ATOM 906 CA LYS B 624 -10.423 40.698 32.317 1.00 30.04 C ATOM 907 C LYS B 624 -9.191 40.260 33.095 1.00 28.93 C ATOM 908 O LYS B 624 -8.056 40.596 32.723 1.00 26.19 O ATOM 909 CB LYS B 624 -10.639 39.766 31.120 1.00 30.86 C ATOM 910 CG LYS B 624 -12.107 39.674 30.686 1.00 41.85 C ATOM 911 CD LYS B 624 -12.410 38.462 29.803 1.00 34.14 C ATOM 912 CE LYS B 624 -13.705 38.700 29.020 1.00 52.43 C ATOM 913 NZ LYS B 624 -13.957 37.612 28.039 1.00 64.24 N ATOM 914 HZ1 LYS B 624 -13.167 37.566 27.364 1.00 0.00 H ATOM 915 HZ2 LYS B 624 -14.038 36.705 28.542 1.00 0.00 H ATOM 916 HZ3 LYS B 624 -14.841 37.806 27.527 1.00 0.00 H ATOM 917 H LYS B 624 -9.545 42.338 31.215 1.00 0.00 H ATOM 918 N HIS B 625 -9.415 39.513 34.180 1.00 21.03 N ATOM 919 CA HIS B 625 -8.322 38.863 34.889 1.00 20.75 C ATOM 920 C HIS B 625 -7.667 37.847 33.964 1.00 22.85 C ATOM 921 O HIS B 625 -8.338 36.922 33.501 1.00 23.33 O ATOM 922 CB HIS B 625 -8.848 38.157 36.136 1.00 23.43 C ATOM 923 CG HIS B 625 -9.450 39.067 37.156 1.00 26.69 C ATOM 924 ND1 HIS B 625 -8.720 40.034 37.818 1.00 28.02 N ATOM 925 CD2 HIS B 625 -10.710 39.144 37.646 1.00 27.55 C ATOM 926 CE1 HIS B 625 -9.509 40.666 38.672 1.00 29.16 C ATOM 927 NE2 HIS B 625 -10.720 40.147 38.587 1.00 23.55 N ATOM 928 H HIS B 625 -10.389 39.394 34.525 1.00 0.00 H ATOM 929 N CYS B 626 -6.376 38.033 33.668 1.00 16.24 N ATOM 930 CA CYS B 626 -5.623 37.073 32.857 1.00 16.95 C ATOM 931 C CYS B 626 -5.230 35.899 33.740 1.00 17.43 C ATOM 932 O CYS B 626 -4.436 36.058 34.678 1.00 21.63 O ATOM 933 CB CYS B 626 -4.373 37.705 32.248 1.00 17.40 C ATOM 934 SG CYS B 626 -3.673 36.735 30.873 1.00 26.05 S ATOM 935 H CYS B 626 -5.893 38.883 34.023 1.00 0.00 H ATOM 936 N ILE B 627 -5.787 34.726 33.463 1.00 17.70 N ATOM 937 CA ILE B 627 -5.438 33.520 34.210 1.00 16.06 C ATOM 938 C ILE B 627 -4.126 32.990 33.631 1.00 21.21 C ATOM 939 O ILE B 627 -4.089 32.477 32.513 1.00 21.30 O ATOM 940 CB ILE B 627 -6.562 32.478 34.133 1.00 20.42 C ATOM 941 CG1 ILE B 627 -7.825 33.009 34.847 1.00 19.37 C ATOM 942 CG2 ILE B 627 -6.125 31.107 34.715 1.00 15.80 C ATOM 943 CD1 ILE B 627 -7.670 33.097 36.377 1.00 21.17 C ATOM 944 H ILE B 627 -6.488 34.664 32.697 1.00 0.00 H ATOM 945 N LEU B 628 -3.042 33.134 34.380 1.00 20.24 N ATOM 946 CA LEU B 628 -1.706 32.787 33.912 1.00 18.38 C ATOM 947 C LEU B 628 -1.289 31.412 34.416 1.00 23.02 C ATOM 948 O LEU B 628 -1.430 31.102 35.600 1.00 26.46 O ATOM 949 CB LEU B 628 -0.681 33.819 34.373 1.00 18.96 C ATOM 950 CG LEU B 628 -0.757 35.148 33.630 1.00 23.05 C ATOM 951 CD1 LEU B 628 0.161 36.109 34.302 1.00 16.57 C ATOM 952 CD2 LEU B 628 -0.364 34.941 32.164 1.00 24.41 C ATOM 953 H LEU B 628 -3.149 33.511 35.343 1.00 0.00 H ATOM 954 N ASP B 629 -0.763 30.603 33.511 1.00 22.36 N ATOM 955 CA ASP B 629 -0.181 29.309 33.833 1.00 21.05 C ATOM 956 C ASP B 629 1.319 29.489 33.645 1.00 22.86 C ATOM 957 O ASP B 629 1.895 29.121 32.618 1.00 30.28 O ATOM 958 CB ASP B 629 -0.785 28.188 32.928 1.00 17.34 C ATOM 959 CG ASP B 629 -0.138 26.837 33.150 1.00 26.71 C ATOM 960 OD1 ASP B 629 0.631 26.688 34.126 1.00 27.42 O ATOM 961 OD2 ASP B 629 -0.408 25.910 32.345 1.00 32.57 O ATOM 962 H ASP B 629 -0.766 30.908 32.517 1.00 0.00 H ATOM 963 N VAL B 630 1.946 30.107 34.646 1.00 23.53 N ATOM 964 CA VAL B 630 3.363 30.448 34.638 1.00 20.71 C ATOM 965 C VAL B 630 3.939 30.077 35.996 1.00 24.39 C ATOM 966 O VAL B 630 3.211 29.916 36.980 1.00 24.18 O ATOM 967 CB VAL B 630 3.603 31.951 34.374 1.00 19.84 C ATOM 968 CG1 VAL B 630 3.067 32.358 33.019 1.00 21.99 C ATOM 969 CG2 VAL B 630 2.937 32.755 35.460 1.00 19.34 C ATOM 970 H VAL B 630 1.389 30.362 35.486 1.00 0.00 H ATOM 971 N SER B 631 5.266 30.018 36.066 1.00 18.02 N ATOM 972 CA SER B 631 5.979 29.665 37.290 1.00 22.16 C ATOM 973 C SER B 631 6.005 30.822 38.274 1.00 23.31 C ATOM 974 O SER B 631 5.807 31.986 37.911 1.00 24.98 O ATOM 975 CB SER B 631 7.423 29.262 36.998 1.00 23.00 C ATOM 976 OG SER B 631 8.322 29.982 37.838 1.00 25.64 O ATOM 977 HG SER B 631 8.219 30.953 37.674 1.00 0.00 H ATOM 978 H SER B 631 5.819 30.233 35.212 1.00 0.00 H ATOM 979 N ALA B 632 6.302 30.496 39.538 1.00 20.55 N ATOM 980 CA ALA B 632 6.353 31.501 40.596 1.00 18.75 C ATOM 981 C ALA B 632 7.350 32.625 40.312 1.00 23.76 C ATOM 982 O ALA B 632 7.180 33.735 40.824 1.00 26.50 O ATOM 983 CB ALA B 632 6.715 30.832 41.925 1.00 28.47 C ATOM 984 H ALA B 632 6.501 29.502 39.772 1.00 0.00 H ATOM 985 N ASN B 633 8.424 32.352 39.566 1.00 24.20 N ATOM 986 CA ASN B 633 9.392 33.410 39.277 1.00 24.91 C ATOM 987 C ASN B 633 8.748 34.518 38.456 1.00 24.85 C ATOM 988 O ASN B 633 9.205 35.663 38.494 1.00 23.15 O ATOM 989 CB ASN B 633 10.619 32.839 38.545 1.00 19.41 C ATOM 990 CG ASN B 633 11.530 32.028 39.470 1.00 27.23 C ATOM 991 OD1 ASN B 633 11.809 32.438 40.586 1.00 26.86 O ATOM 992 ND2 ASN B 633 12.002 30.874 38.998 1.00 30.29 N ATOM 993 HD22 ASN B 633 11.742 30.558 38.042 1.00 0.00 H ATOM 994 HD21 ASN B 633 12.630 30.290 39.586 1.00 0.00 H ATOM 995 H ASN B 633 8.571 31.393 39.193 1.00 0.00 H ATOM 996 N ALA B 634 7.673 34.198 37.714 1.00 23.98 N ATOM 997 CA ALA B 634 6.954 35.227 36.965 1.00 25.01 C ATOM 998 C ALA B 634 6.298 36.268 37.868 1.00 25.29 C ATOM 999 O ALA B 634 6.061 37.396 37.420 1.00 22.40 O ATOM 1000 CB ALA B 634 5.890 34.603 36.075 1.00 18.14 C ATOM 1001 H ALA B 634 7.350 33.210 37.673 1.00 0.00 H ATOM 1002 N VAL B 635 5.996 35.928 39.123 1.00 21.88 N ATOM 1003 CA VAL B 635 5.287 36.875 39.977 1.00 24.07 C ATOM 1004 C VAL B 635 6.105 38.151 40.139 1.00 24.35 C ATOM 1005 O VAL B 635 5.626 39.255 39.849 1.00 25.58 O ATOM 1006 CB VAL B 635 4.947 36.230 41.333 1.00 28.65 C ATOM 1007 CG1 VAL B 635 4.329 37.257 42.291 1.00 26.04 C ATOM 1008 CG2 VAL B 635 3.997 35.077 41.114 1.00 24.09 C ATOM 1009 H VAL B 635 6.265 34.993 39.490 1.00 0.00 H ATOM 1010 N ARG B 636 7.373 38.010 40.544 1.00 21.45 N ATOM 1011 CA ARG B 636 8.244 39.171 40.665 1.00 22.64 C ATOM 1012 C ARG B 636 8.396 39.918 39.340 1.00 24.10 C ATOM 1013 O ARG B 636 8.515 41.148 39.334 1.00 24.98 O ATOM 1014 CB ARG B 636 9.616 38.742 41.188 1.00 26.84 C ATOM 1015 H ARG B 636 7.739 37.064 40.774 1.00 0.00 H ATOM 1016 N ARG B 637 8.408 39.208 38.209 1.00 16.43 N ATOM 1017 CA ARG B 637 8.571 39.922 36.948 1.00 22.01 C ATOM 1018 C ARG B 637 7.309 40.719 36.602 1.00 22.44 C ATOM 1019 O ARG B 637 7.397 41.850 36.110 1.00 23.46 O ATOM 1020 CB ARG B 637 8.944 38.943 35.838 1.00 25.19 C ATOM 1021 CG ARG B 637 10.195 38.066 36.163 1.00 30.39 C ATOM 1022 CD ARG B 637 10.845 37.556 34.874 1.00 31.78 C ATOM 1023 NE ARG B 637 11.823 36.473 35.046 1.00 40.02 N ATOM 1024 CZ ARG B 637 11.540 35.161 35.122 1.00 41.80 C ATOM 1025 NH1 ARG B 637 10.289 34.699 35.087 1.00 27.00 N ATOM 1026 NH2 ARG B 637 12.533 34.289 35.252 1.00 52.14 N ATOM 1027 HE ARG B 637 12.824 36.746 35.115 1.00 0.00 H ATOM 1028 HH12 ARG B 637 10.110 33.676 35.148 1.00 0.00 H ATOM 1029 HH11 ARG B 637 9.492 35.362 34.998 1.00 0.00 H ATOM 1030 HH22 ARG B 637 12.327 33.271 35.312 1.00 0.00 H ATOM 1031 HH21 ARG B 637 13.517 34.624 35.294 1.00 0.00 H ATOM 1032 H ARG B 637 8.304 38.173 38.227 1.00 0.00 H ATOM 1033 N LEU B 638 6.129 40.162 36.887 1.00 20.91 N ATOM 1034 CA LEU B 638 4.885 40.901 36.681 1.00 24.29 C ATOM 1035 C LEU B 638 4.828 42.152 37.553 1.00 26.08 C ATOM 1036 O LEU B 638 4.409 43.225 37.089 1.00 25.55 O ATOM 1037 CB LEU B 638 3.684 40.005 36.973 1.00 20.26 C ATOM 1038 CG LEU B 638 3.234 39.083 35.853 1.00 22.78 C ATOM 1039 CD1 LEU B 638 2.239 38.102 36.395 1.00 24.48 C ATOM 1040 CD2 LEU B 638 2.622 39.878 34.728 1.00 23.44 C ATOM 1041 H LEU B 638 6.095 39.192 37.260 1.00 0.00 H ATOM 1042 N GLN B 639 5.242 42.032 38.821 1.00 21.57 N ATOM 1043 CA GLN B 639 5.265 43.194 39.704 1.00 23.80 C ATOM 1044 C GLN B 639 6.250 44.235 39.198 1.00 22.74 C ATOM 1045 O GLN B 639 5.928 45.424 39.117 1.00 24.60 O ATOM 1046 CB GLN B 639 5.605 42.762 41.133 1.00 25.41 C ATOM 1047 CG GLN B 639 4.519 41.907 41.790 1.00 25.32 C ATOM 1048 CD GLN B 639 4.961 41.315 43.136 1.00 45.84 C ATOM 1049 OE1 GLN B 639 6.041 41.637 43.645 1.00 46.94 O ATOM 1050 NE2 GLN B 639 4.116 40.454 43.720 1.00 39.00 N ATOM 1051 HE22 GLN B 639 3.218 40.211 43.256 1.00 0.00 H ATOM 1052 HE21 GLN B 639 4.359 40.028 44.637 1.00 0.00 H ATOM 1053 H GLN B 639 5.549 41.105 39.179 1.00 0.00 H ATOM 1054 N ALA B 640 7.452 43.801 38.816 1.00 27.81 N ATOM 1055 CA ALA B 640 8.428 44.744 38.273 1.00 23.18 C ATOM 1056 C ALA B 640 7.960 45.378 36.970 1.00 22.80 C ATOM 1057 O ALA B 640 8.428 46.465 36.614 1.00 25.66 O ATOM 1058 CB ALA B 640 9.774 44.042 38.069 1.00 24.30 C ATOM 1059 H ALA B 640 7.694 42.793 38.904 1.00 0.00 H ATOM 1060 N ALA B 641 7.063 44.732 36.238 1.00 23.44 N ATOM 1061 CA ALA B 641 6.491 45.335 35.043 1.00 24.31 C ATOM 1062 C ALA B 641 5.260 46.184 35.353 1.00 24.46 C ATOM 1063 O ALA B 641 4.573 46.618 34.419 1.00 21.33 O ATOM 1064 CB ALA B 641 6.130 44.258 34.019 1.00 20.93 C ATOM 1065 H ALA B 641 6.763 43.778 36.523 1.00 0.00 H ATOM 1066 N HIS B 642 4.959 46.388 36.637 1.00 17.79 N ATOM 1067 CA HIS B 642 3.878 47.235 37.124 1.00 21.62 C ATOM 1068 C HIS B 642 2.482 46.692 36.814 1.00 25.47 C ATOM 1069 O HIS B 642 1.498 47.454 36.830 1.00 24.11 O ATOM 1070 CB HIS B 642 4.046 48.662 36.595 1.00 23.77 C ATOM 1071 CG HIS B 642 5.378 49.245 36.937 1.00 26.98 C ATOM 1072 ND1 HIS B 642 5.791 49.430 38.240 1.00 26.46 N ATOM 1073 CD2 HIS B 642 6.413 49.625 36.156 1.00 20.85 C ATOM 1074 CE1 HIS B 642 7.014 49.928 38.244 1.00 29.27 C ATOM 1075 NE2 HIS B 642 7.410 50.061 36.991 1.00 25.91 N ATOM 1076 H HIS B 642 5.543 45.903 37.348 1.00 0.00 H ATOM 1077 N LEU B 643 2.350 45.382 36.586 1.00 19.12 N ATOM 1078 CA LEU B 643 1.050 44.817 36.252 1.00 16.82 C ATOM 1079 C LEU B 643 0.265 44.367 37.472 1.00 19.68 C ATOM 1080 O LEU B 643 -0.867 43.886 37.314 1.00 17.82 O ATOM 1081 CB LEU B 643 1.211 43.646 35.271 1.00 20.70 C ATOM 1082 CG LEU B 643 1.867 44.073 33.961 1.00 21.40 C ATOM 1083 CD1 LEU B 643 1.739 42.989 32.925 1.00 28.10 C ATOM 1084 CD2 LEU B 643 1.192 45.359 33.474 1.00 25.05 C ATOM 1085 H LEU B 643 3.182 44.761 36.648 1.00 0.00 H ATOM 1086 N HIS B 644 0.846 44.483 38.687 1.00 17.94 N ATOM 1087 CA HIS B 644 0.060 44.288 39.896 1.00 20.21 C ATOM 1088 C HIS B 644 -0.655 42.937 39.923 1.00 19.03 C ATOM 1089 O HIS B 644 -1.896 42.901 39.961 1.00 20.35 O ATOM 1090 CB HIS B 644 -0.985 45.410 40.005 1.00 19.84 C ATOM 1091 CG HIS B 644 -1.491 45.620 41.389 1.00 23.03 C ATOM 1092 ND1 HIS B 644 -2.736 46.149 41.652 1.00 19.64 N ATOM 1093 CD2 HIS B 644 -0.916 45.384 42.594 1.00 24.67 C ATOM 1094 CE1 HIS B 644 -2.910 46.228 42.961 1.00 21.91 C ATOM 1095 NE2 HIS B 644 -1.818 45.780 43.556 1.00 26.68 N ATOM 1096 H HIS B 644 1.858 44.712 38.758 1.00 0.00 H ATOM 1097 N PRO B 645 0.059 41.814 39.902 1.00 20.03 N ATOM 1098 CA PRO B 645 -0.625 40.520 39.867 1.00 19.51 C ATOM 1099 C PRO B 645 -1.294 40.191 41.200 1.00 22.10 C ATOM 1100 O PRO B 645 -0.921 40.696 42.261 1.00 16.43 O ATOM 1101 CB PRO B 645 0.511 39.539 39.570 1.00 16.61 C ATOM 1102 CG PRO B 645 1.675 40.159 40.235 1.00 17.31 C ATOM 1103 CD PRO B 645 1.522 41.644 39.955 1.00 19.47 C ATOM 1104 N ILE B 646 -2.294 39.316 41.119 1.00 19.25 N ATOM 1105 CA ILE B 646 -2.825 38.584 42.267 1.00 23.84 C ATOM 1106 C ILE B 646 -2.217 37.185 42.245 1.00 22.49 C ATOM 1107 O ILE B 646 -2.512 36.383 41.353 1.00 23.67 O ATOM 1108 CB ILE B 646 -4.358 38.525 42.237 1.00 24.20 C ATOM 1109 CG1 ILE B 646 -4.958 39.927 42.406 1.00 16.05 C ATOM 1110 CG2 ILE B 646 -4.916 37.570 43.320 1.00 22.04 C ATOM 1111 CD1 ILE B 646 -6.457 39.949 42.148 1.00 19.02 C ATOM 1112 H ILE B 646 -2.721 39.144 40.187 1.00 0.00 H ATOM 1113 N ALA B 647 -1.361 36.885 43.216 1.00 17.21 N ATOM 1114 CA ALA B 647 -0.691 35.594 43.329 1.00 13.92 C ATOM 1115 C ALA B 647 -1.310 34.841 44.491 1.00 17.79 C ATOM 1116 O ALA B 647 -1.169 35.276 45.636 1.00 17.67 O ATOM 1117 CB ALA B 647 0.808 35.757 43.575 1.00 18.42 C ATOM 1118 H ALA B 647 -1.158 37.609 43.934 1.00 0.00 H ATOM 1119 N ILE B 648 -1.959 33.701 44.212 1.00 17.83 N ATOM 1120 CA ILE B 648 -2.635 32.908 45.245 1.00 15.28 C ATOM 1121 C ILE B 648 -1.944 31.560 45.390 1.00 18.12 C ATOM 1122 O ILE B 648 -1.821 30.806 44.415 1.00 18.74 O ATOM 1123 CB ILE B 648 -4.125 32.694 44.931 1.00 12.89 C ATOM 1124 CG1 ILE B 648 -4.854 34.014 44.647 1.00 21.24 C ATOM 1125 CG2 ILE B 648 -4.768 31.913 46.061 1.00 17.30 C ATOM 1126 CD1 ILE B 648 -6.240 33.809 44.004 1.00 18.87 C ATOM 1127 H ILE B 648 -1.984 33.367 43.227 1.00 0.00 H ATOM 1128 N PHE B 649 -1.553 31.227 46.611 1.00 17.04 N ATOM 1129 CA PHE B 649 -0.916 29.950 46.903 1.00 16.02 C ATOM 1130 C PHE B 649 -1.909 29.045 47.620 1.00 16.88 C ATOM 1131 O PHE B 649 -2.409 29.394 48.691 1.00 18.49 O ATOM 1132 CB PHE B 649 0.349 30.148 47.743 1.00 18.63 C ATOM 1133 CG PHE B 649 1.048 28.867 48.093 1.00 20.86 C ATOM 1134 CD1 PHE B 649 1.432 27.983 47.100 1.00 17.99 C ATOM 1135 CD2 PHE B 649 1.300 28.536 49.420 1.00 20.88 C ATOM 1136 CE1 PHE B 649 2.070 26.799 47.416 1.00 23.98 C ATOM 1137 CE2 PHE B 649 1.942 27.360 49.748 1.00 26.70 C ATOM 1138 CZ PHE B 649 2.326 26.478 48.746 1.00 25.00 C ATOM 1139 H PHE B 649 -1.706 31.901 47.388 1.00 0.00 H ATOM 1140 N ILE B 650 -2.216 27.906 47.003 1.00 16.89 N ATOM 1141 CA ILE B 650 -3.002 26.842 47.623 1.00 18.07 C ATOM 1142 C ILE B 650 -2.014 25.988 48.409 1.00 18.88 C ATOM 1143 O ILE B 650 -1.143 25.323 47.829 1.00 18.09 O ATOM 1144 CB ILE B 650 -3.762 26.004 46.581 1.00 15.77 C ATOM 1145 CG1 ILE B 650 -4.687 26.871 45.722 1.00 11.90 C ATOM 1146 CG2 ILE B 650 -4.546 24.905 47.265 1.00 18.49 C ATOM 1147 CD1 ILE B 650 -5.205 26.163 44.482 1.00 13.48 C ATOM 1148 H ILE B 650 -1.879 27.766 46.029 1.00 0.00 H ATOM 1149 N ARG B 651 -2.122 26.028 49.731 1.00 17.05 N ATOM 1150 CA ARG B 651 -1.124 25.403 50.579 1.00 17.71 C ATOM 1151 C ARG B 651 -1.674 24.086 51.096 1.00 16.05 C ATOM 1152 O ARG B 651 -2.673 24.082 51.828 1.00 20.14 O ATOM 1153 CB ARG B 651 -0.750 26.328 51.738 1.00 20.80 C ATOM 1154 CG ARG B 651 0.238 25.762 52.757 1.00 23.42 C ATOM 1155 CD ARG B 651 -0.061 26.351 54.126 1.00 32.52 C ATOM 1156 NE ARG B 651 0.623 27.617 54.355 1.00 36.97 N ATOM 1157 CZ ARG B 651 0.238 28.546 55.233 1.00 43.90 C ATOM 1158 NH1 ARG B 651 -0.855 28.371 55.970 1.00 42.88 N ATOM 1159 NH2 ARG B 651 0.943 29.667 55.357 1.00 37.66 N ATOM 1160 HE ARG B 651 1.475 27.812 53.792 1.00 0.00 H ATOM 1161 HH12 ARG B 651 -1.146 29.101 56.651 1.00 0.00 H ATOM 1162 HH11 ARG B 651 -1.419 27.504 55.865 1.00 0.00 H ATOM 1163 HH22 ARG B 651 0.648 30.394 56.039 1.00 0.00 H ATOM 1164 HH21 ARG B 651 1.790 29.816 54.772 1.00 0.00 H ATOM 1165 H ARG B 651 -2.933 26.514 50.165 1.00 0.00 H ATOM 1166 N PRO B 652 -1.085 22.960 50.740 1.00 18.59 N ATOM 1167 CA PRO B 652 -1.531 21.689 51.325 1.00 22.64 C ATOM 1168 C PRO B 652 -1.131 21.625 52.786 1.00 20.20 C ATOM 1169 O PRO B 652 -0.056 22.079 53.161 1.00 21.89 O ATOM 1170 CB PRO B 652 -0.777 20.646 50.505 1.00 22.19 C ATOM 1171 CG PRO B 652 0.541 21.349 50.203 1.00 19.82 C ATOM 1172 CD PRO B 652 0.159 22.808 49.966 1.00 21.08 C ATOM 1173 N ARG B 653 -2.004 21.057 53.615 1.00 26.81 N ATOM 1174 CA ARG B 653 -1.708 20.972 55.043 1.00 28.03 C ATOM 1175 C ARG B 653 -0.813 19.793 55.394 1.00 30.55 C ATOM 1176 O ARG B 653 -0.257 19.770 56.495 1.00 30.96 O ATOM 1177 CB ARG B 653 -3.004 20.861 55.862 1.00 29.73 C ATOM 1178 CG ARG B 653 -3.916 22.068 55.777 1.00 29.33 C ATOM 1179 CD ARG B 653 -5.316 21.713 56.203 1.00 27.97 C ATOM 1180 NE ARG B 653 -6.163 22.893 56.222 1.00 35.33 N ATOM 1181 CZ ARG B 653 -7.485 22.852 56.161 1.00 34.07 C ATOM 1182 NH1 ARG B 653 -8.105 21.684 56.070 1.00 38.03 N ATOM 1183 NH2 ARG B 653 -8.181 23.976 56.175 1.00 29.68 N ATOM 1184 HE ARG B 653 -5.704 23.824 56.287 1.00 0.00 H ATOM 1185 HH12 ARG B 653 -9.143 21.649 56.022 1.00 0.00 H ATOM 1186 HH11 ARG B 653 -7.553 20.803 56.047 1.00 0.00 H ATOM 1187 HH22 ARG B 653 -9.219 23.945 56.127 1.00 0.00 H ATOM 1188 HH21 ARG B 653 -7.690 24.891 56.234 1.00 0.00 H ATOM 1189 H ARG B 653 -2.897 20.673 53.246 1.00 0.00 H ATOM 1190 N SER B 654 -0.683 18.821 54.499 1.00 23.12 N ATOM 1191 CA SER B 654 -0.019 17.548 54.760 1.00 27.45 C ATOM 1192 C SER B 654 -0.167 16.708 53.501 1.00 31.75 C ATOM 1193 O SER B 654 -0.899 17.073 52.575 1.00 30.93 O ATOM 1194 CB SER B 654 -0.610 16.792 55.955 1.00 21.35 C ATOM 1195 OG SER B 654 -1.909 16.341 55.653 1.00 27.10 O ATOM 1196 HG SER B 654 -2.278 15.855 56.433 1.00 0.00 H ATOM 1197 H SER B 654 -1.080 18.977 53.551 1.00 0.00 H ATOM 1198 N LEU B 655 0.525 15.569 53.482 1.00 30.33 N ATOM 1199 CA LEU B 655 0.368 14.641 52.368 1.00 29.36 C ATOM 1200 C LEU B 655 -1.081 14.189 52.240 1.00 24.56 C ATOM 1201 O LEU B 655 -1.648 14.159 51.142 1.00 21.46 O ATOM 1202 CB LEU B 655 1.291 13.438 52.565 1.00 36.68 C ATOM 1203 CG LEU B 655 0.941 12.275 51.645 1.00 34.56 C ATOM 1204 CD1 LEU B 655 1.290 12.693 50.246 1.00 36.92 C ATOM 1205 CD2 LEU B 655 1.698 11.005 52.040 1.00 43.94 C ATOM 1206 H LEU B 655 1.176 15.342 54.261 1.00 0.00 H ATOM 1207 N GLU B 656 -1.696 13.833 53.367 1.00 25.09 N ATOM 1208 CA GLU B 656 -3.082 13.380 53.363 1.00 31.20 C ATOM 1209 C GLU B 656 -4.008 14.460 52.820 1.00 24.98 C ATOM 1210 O GLU B 656 -4.921 14.167 52.047 1.00 26.49 O ATOM 1211 CB GLU B 656 -3.511 12.971 54.781 1.00 29.44 C ATOM 1212 CG GLU B 656 -2.676 11.841 55.425 1.00 40.10 C ATOM 1213 CD GLU B 656 -1.208 12.219 55.716 1.00 48.79 C ATOM 1214 OE1 GLU B 656 -0.866 13.425 55.749 1.00 44.20 O ATOM 1215 OE2 GLU B 656 -0.386 11.300 55.899 1.00 53.67 O ATOM 1216 H GLU B 656 -1.177 13.879 54.267 1.00 0.00 H ATOM 1217 N ASN B 657 -3.789 15.719 53.218 1.00 24.99 N ATOM 1218 CA ASN B 657 -4.610 16.803 52.690 1.00 24.11 C ATOM 1219 C ASN B 657 -4.516 16.882 51.164 1.00 24.12 C ATOM 1220 O ASN B 657 -5.526 17.119 50.491 1.00 19.71 O ATOM 1221 CB ASN B 657 -4.203 18.119 53.341 1.00 25.30 C ATOM 1222 CG ASN B 657 -4.994 19.297 52.826 1.00 28.89 C ATOM 1223 OD1 ASN B 657 -4.417 20.338 52.491 1.00 24.37 O ATOM 1224 ND2 ASN B 657 -6.321 19.161 52.787 1.00 28.61 N ATOM 1225 HD22 ASN B 657 -6.761 18.265 53.079 1.00 0.00 H ATOM 1226 HD21 ASN B 657 -6.915 19.951 52.464 1.00 0.00 H ATOM 1227 H ASN B 657 -3.034 15.924 53.903 1.00 0.00 H ATOM 1228 N VAL B 658 -3.318 16.661 50.599 1.00 19.91 N ATOM 1229 CA VAL B 658 -3.177 16.612 49.141 1.00 21.07 C ATOM 1230 C VAL B 658 -4.109 15.558 48.549 1.00 20.89 C ATOM 1231 O VAL B 658 -4.796 15.796 47.547 1.00 20.90 O ATOM 1232 CB VAL B 658 -1.712 16.340 48.740 1.00 22.83 C ATOM 1233 CG1 VAL B 658 -1.610 16.168 47.249 1.00 18.72 C ATOM 1234 CG2 VAL B 658 -0.763 17.466 49.212 1.00 21.09 C ATOM 1235 H VAL B 658 -2.482 16.523 51.202 1.00 0.00 H ATOM 1236 N LEU B 659 -4.134 14.369 49.158 1.00 21.22 N ATOM 1237 CA LEU B 659 -5.022 13.304 48.704 1.00 27.00 C ATOM 1238 C LEU B 659 -6.498 13.665 48.910 1.00 27.70 C ATOM 1239 O LEU B 659 -7.354 13.225 48.132 1.00 29.40 O ATOM 1240 CB LEU B 659 -4.668 11.996 49.429 1.00 21.51 C ATOM 1241 CG LEU B 659 -3.326 11.377 49.011 1.00 30.40 C ATOM 1242 CD1 LEU B 659 -2.736 10.460 50.099 1.00 28.18 C ATOM 1243 CD2 LEU B 659 -3.448 10.623 47.692 1.00 24.07 C ATOM 1244 H LEU B 659 -3.508 14.199 49.971 1.00 0.00 H ATOM 1245 N GLU B 660 -6.822 14.459 49.937 1.00 19.70 N ATOM 1246 CA GLU B 660 -8.196 14.950 50.077 1.00 29.03 C ATOM 1247 C GLU B 660 -8.612 15.825 48.893 1.00 27.88 C ATOM 1248 O GLU B 660 -9.712 15.669 48.356 1.00 24.99 O ATOM 1249 CB GLU B 660 -8.357 15.729 51.390 1.00 28.29 C ATOM 1250 CG GLU B 660 -8.455 14.838 52.650 1.00 29.92 C ATOM 1251 CD GLU B 660 -8.273 15.628 53.946 1.00 37.39 C ATOM 1252 OE1 GLU B 660 -7.800 16.788 53.887 1.00 34.69 O ATOM 1253 OE2 GLU B 660 -8.580 15.082 55.029 1.00 47.81 O ATOM 1254 H GLU B 660 -6.100 14.728 50.635 1.00 0.00 H ATOM 1255 N ILE B 661 -7.744 16.744 48.457 1.00 23.09 N ATOM 1256 CA ILE B 661 -8.175 17.744 47.477 1.00 21.46 C ATOM 1257 C ILE B 661 -7.906 17.335 46.037 1.00 23.35 C ATOM 1258 O ILE B 661 -8.480 17.939 45.118 1.00 20.89 O ATOM 1259 CB ILE B 661 -7.508 19.085 47.807 1.00 22.68 C ATOM 1260 CG1 ILE B 661 -6.031 19.071 47.398 1.00 17.68 C ATOM 1261 CG2 ILE B 661 -7.649 19.357 49.316 1.00 19.47 C ATOM 1262 CD1 ILE B 661 -5.301 20.361 47.833 1.00 22.17 C ATOM 1263 H ILE B 661 -6.767 16.749 48.812 1.00 0.00 H ATOM 1264 N ASN B 662 -7.078 16.312 45.806 1.00 19.88 N ATOM 1265 CA ASN B 662 -6.848 15.754 44.470 1.00 22.27 C ATOM 1266 C ASN B 662 -7.006 14.246 44.578 1.00 25.54 C ATOM 1267 O ASN B 662 -6.085 13.567 45.042 1.00 28.43 O ATOM 1268 CB ASN B 662 -5.468 16.121 43.930 1.00 20.88 C ATOM 1269 CG ASN B 662 -5.278 15.716 42.477 1.00 31.85 C ATOM 1270 OD1 ASN B 662 -5.952 14.815 41.966 1.00 26.13 O ATOM 1271 ND2 ASN B 662 -4.349 16.397 41.793 1.00 30.70 N ATOM 1272 HD22 ASN B 662 -3.804 17.148 42.262 1.00 0.00 H ATOM 1273 HD21 ASN B 662 -4.173 16.174 40.792 1.00 0.00 H ATOM 1274 H ASN B 662 -6.573 15.892 46.612 1.00 0.00 H ATOM 1275 N LYS B 663 -8.146 13.731 44.118 1.00 27.41 N ATOM 1276 CA LYS B 663 -8.508 12.321 44.267 1.00 32.86 C ATOM 1277 C LYS B 663 -8.119 11.456 43.067 1.00 35.28 C ATOM 1278 O LYS B 663 -8.519 10.289 43.005 1.00 33.76 O ATOM 1279 CB LYS B 663 -10.014 12.185 44.530 1.00 27.01 C ATOM 1280 CG LYS B 663 -10.487 13.070 45.677 1.00 35.00 C ATOM 1281 CD LYS B 663 -11.740 12.532 46.334 1.00 38.23 C ATOM 1282 CE LYS B 663 -12.063 13.282 47.620 1.00 39.46 C ATOM 1283 NZ LYS B 663 -13.423 12.905 48.162 1.00 55.26 N ATOM 1284 HZ1 LYS B 663 -14.152 13.135 47.457 1.00 0.00 H ATOM 1285 HZ2 LYS B 663 -13.444 11.885 48.364 1.00 0.00 H ATOM 1286 HZ3 LYS B 663 -13.606 13.436 49.037 1.00 0.00 H ATOM 1287 H LYS B 663 -8.812 14.363 43.629 1.00 0.00 H ATOM 1288 N ARG B 664 -7.322 11.983 42.139 1.00 34.08 N ATOM 1289 CA ARG B 664 -6.960 11.290 40.911 1.00 34.21 C ATOM 1290 C ARG B 664 -5.473 10.930 40.850 1.00 30.93 C ATOM 1291 O ARG B 664 -4.936 10.699 39.758 1.00 29.97 O ATOM 1292 CB ARG B 664 -7.333 12.148 39.703 1.00 37.38 C ATOM 1293 CG ARG B 664 -8.824 12.406 39.517 1.00 51.77 C ATOM 1294 CD ARG B 664 -9.060 13.725 38.765 1.00 66.80 C ATOM 1295 NE ARG B 664 -9.417 14.827 39.661 1.00 71.68 N ATOM 1296 CZ ARG B 664 -8.577 15.771 40.082 1.00 77.59 C ATOM 1297 NH1 ARG B 664 -7.302 15.769 39.695 1.00 71.46 N ATOM 1298 NH2 ARG B 664 -9.017 16.721 40.899 1.00 79.36 N ATOM 1299 HE ARG B 664 -10.401 14.876 39.994 1.00 0.00 H ATOM 1300 HH12 ARG B 664 -6.656 16.511 40.030 1.00 0.00 H ATOM 1301 HH11 ARG B 664 -6.953 15.025 39.058 1.00 0.00 H ATOM 1302 HH22 ARG B 664 -8.368 17.462 41.232 1.00 0.00 H ATOM 1303 HH21 ARG B 664 -10.011 16.724 41.205 1.00 0.00 H ATOM 1304 H ARG B 664 -6.939 12.937 42.300 1.00 0.00 H ATOM 1305 N ILE B 665 -4.780 10.893 41.982 1.00 25.40 N ATOM 1306 CA ILE B 665 -3.333 10.721 41.931 1.00 26.87 C ATOM 1307 C ILE B 665 -2.886 9.638 42.900 1.00 26.92 C ATOM 1308 O ILE B 665 -3.552 9.336 43.894 1.00 30.03 O ATOM 1309 CB ILE B 665 -2.567 12.034 42.221 1.00 26.00 C ATOM 1310 CG1 ILE B 665 -3.034 12.673 43.530 1.00 21.67 C ATOM 1311 CG2 ILE B 665 -2.695 13.025 41.042 1.00 23.36 C ATOM 1312 CD1 ILE B 665 -2.156 13.862 43.967 1.00 24.31 C ATOM 1313 H ILE B 665 -5.265 10.986 42.897 1.00 0.00 H ATOM 1314 N THR B 666 -1.729 9.063 42.593 1.00 23.04 N ATOM 1315 CA THR B 666 -1.093 8.087 43.462 1.00 24.20 C ATOM 1316 C THR B 666 -0.528 8.770 44.706 1.00 28.60 C ATOM 1317 O THR B 666 -0.379 10.000 44.765 1.00 23.24 O ATOM 1318 CB THR B 666 0.032 7.365 42.714 1.00 26.34 C ATOM 1319 OG1 THR B 666 1.119 8.271 42.503 1.00 25.93 O ATOM 1320 CG2 THR B 666 -0.453 6.866 41.356 1.00 23.60 C ATOM 1321 HG1 THR B 666 1.846 7.805 42.020 1.00 0.00 H ATOM 1322 H THR B 666 -1.262 9.320 41.700 1.00 0.00 H ATOM 1323 N GLU B 667 -0.231 7.954 45.723 1.00 21.80 N ATOM 1324 CA GLU B 667 0.479 8.477 46.886 1.00 26.69 C ATOM 1325 C GLU B 667 1.797 9.126 46.471 1.00 30.62 C ATOM 1326 O GLU B 667 2.155 10.193 46.983 1.00 24.86 O ATOM 1327 CB GLU B 667 0.740 7.363 47.915 1.00 33.52 C ATOM 1328 CG GLU B 667 -0.513 6.826 48.589 1.00 35.78 C ATOM 1329 CD GLU B 667 -0.460 6.905 50.115 1.00 42.89 C ATOM 1330 OE1 GLU B 667 0.647 7.133 50.662 1.00 46.33 O ATOM 1331 OE2 GLU B 667 -1.535 6.746 50.754 1.00 38.68 O ATOM 1332 H GLU B 667 -0.505 6.951 45.685 1.00 0.00 H ATOM 1333 N GLU B 668 2.529 8.499 45.539 1.00 29.27 N ATOM 1334 CA GLU B 668 3.809 9.057 45.111 1.00 31.20 C ATOM 1335 C GLU B 668 3.608 10.445 44.528 1.00 29.78 C ATOM 1336 O GLU B 668 4.299 11.391 44.914 1.00 36.16 O ATOM 1337 CB GLU B 668 4.502 8.170 44.072 1.00 29.92 C ATOM 1338 CG GLU B 668 4.967 6.824 44.559 1.00 41.29 C ATOM 1339 CD GLU B 668 4.882 5.762 43.463 1.00 38.30 C ATOM 1340 OE1 GLU B 668 5.900 5.552 42.777 1.00 48.57 O ATOM 1341 OE2 GLU B 668 3.803 5.184 43.245 1.00 39.99 O ATOM 1342 H GLU B 668 2.184 7.612 45.119 1.00 0.00 H ATOM 1343 N GLN B 669 2.661 10.587 43.589 1.00 24.75 N ATOM 1344 CA GLN B 669 2.379 11.905 43.014 1.00 25.75 C ATOM 1345 C GLN B 669 2.001 12.904 44.093 1.00 25.08 C ATOM 1346 O GLN B 669 2.367 14.086 44.016 1.00 28.06 O ATOM 1347 CB GLN B 669 1.272 11.808 41.970 1.00 22.77 C ATOM 1348 CG GLN B 669 1.680 11.031 40.720 1.00 26.06 C ATOM 1349 CD GLN B 669 0.504 10.745 39.796 1.00 31.76 C ATOM 1350 OE1 GLN B 669 -0.587 10.370 40.240 1.00 33.07 O ATOM 1351 NE2 GLN B 669 0.722 10.923 38.504 1.00 44.10 N ATOM 1352 HE22 GLN B 669 1.656 11.240 38.173 1.00 0.00 H ATOM 1353 HE21 GLN B 669 -0.040 10.746 37.819 1.00 0.00 H ATOM 1354 H GLN B 669 2.124 9.757 43.267 1.00 0.00 H ATOM 1355 N ALA B 670 1.277 12.446 45.122 1.00 25.86 N ATOM 1356 CA ALA B 670 0.855 13.360 46.179 1.00 26.05 C ATOM 1357 C ALA B 670 2.041 13.793 47.039 1.00 29.81 C ATOM 1358 O ALA B 670 2.112 14.954 47.474 1.00 22.32 O ATOM 1359 CB ALA B 670 -0.241 12.713 47.030 1.00 19.77 C ATOM 1360 H ALA B 670 1.016 11.440 45.168 1.00 0.00 H ATOM 1361 N ARG B 671 2.981 12.873 47.299 1.00 31.07 N ATOM 1362 CA ARG B 671 4.185 13.238 48.041 1.00 31.12 C ATOM 1363 C ARG B 671 5.047 14.221 47.242 1.00 29.09 C ATOM 1364 O ARG B 671 5.549 15.199 47.806 1.00 27.89 O ATOM 1365 CB ARG B 671 4.974 11.985 48.426 1.00 32.30 C ATOM 1366 CG ARG B 671 6.066 12.228 49.490 1.00 49.27 C ATOM 1367 CD ARG B 671 5.524 12.966 50.718 1.00 60.26 C ATOM 1368 NE ARG B 671 6.535 13.811 51.352 1.00 65.93 N ATOM 1369 CZ ARG B 671 6.390 14.405 52.535 1.00 66.39 C ATOM 1370 NH1 ARG B 671 5.265 14.254 53.232 1.00 69.24 N ATOM 1371 NH2 ARG B 671 7.375 15.157 53.023 1.00 64.41 N ATOM 1372 HE ARG B 671 7.430 13.958 50.843 1.00 0.00 H ATOM 1373 HH12 ARG B 671 5.159 14.721 54.155 1.00 0.00 H ATOM 1374 HH11 ARG B 671 4.493 13.669 52.853 1.00 0.00 H ATOM 1375 HH22 ARG B 671 7.265 15.622 53.947 1.00 0.00 H ATOM 1376 HH21 ARG B 671 8.254 15.279 52.481 1.00 0.00 H ATOM 1377 H ARG B 671 2.852 11.895 46.971 1.00 0.00 H ATOM 1378 N LYS B 672 5.180 14.002 45.926 1.00 21.57 N ATOM 1379 CA LYS B 672 5.895 14.952 45.074 1.00 26.43 C ATOM 1380 C LYS B 672 5.225 16.324 45.065 1.00 30.73 C ATOM 1381 O LYS B 672 5.911 17.354 45.125 1.00 33.32 O ATOM 1382 CB LYS B 672 6.002 14.413 43.647 1.00 19.37 C ATOM 1383 H LYS B 672 4.769 13.144 45.505 1.00 0.00 H ATOM 1384 N ALA B 673 3.886 16.361 44.962 1.00 28.25 N ATOM 1385 CA ALA B 673 3.159 17.634 45.012 1.00 27.08 C ATOM 1386 C ALA B 673 3.331 18.319 46.358 1.00 28.22 C ATOM 1387 O ALA B 673 3.505 19.545 46.427 1.00 26.72 O ATOM 1388 CB ALA B 673 1.666 17.422 44.739 1.00 18.54 C ATOM 1389 H ALA B 673 3.357 15.473 44.845 1.00 0.00 H ATOM 1390 N PHE B 674 3.269 17.546 47.440 1.00 28.67 N ATOM 1391 CA PHE B 674 3.423 18.137 48.758 1.00 20.77 C ATOM 1392 C PHE B 674 4.819 18.718 48.934 1.00 26.22 C ATOM 1393 O PHE B 674 4.972 19.811 49.492 1.00 21.74 O ATOM 1394 CB PHE B 674 3.151 17.106 49.842 1.00 22.97 C ATOM 1395 CG PHE B 674 3.262 17.666 51.231 1.00 31.66 C ATOM 1396 CD1 PHE B 674 2.290 18.552 51.719 1.00 24.56 C ATOM 1397 CD2 PHE B 674 4.343 17.342 52.041 1.00 31.03 C ATOM 1398 CE1 PHE B 674 2.378 19.074 52.996 1.00 21.99 C ATOM 1399 CE2 PHE B 674 4.444 17.864 53.330 1.00 30.17 C ATOM 1400 CZ PHE B 674 3.451 18.738 53.812 1.00 25.46 C ATOM 1401 H PHE B 674 3.111 16.523 47.342 1.00 0.00 H ATOM 1402 N ASP B 675 5.847 17.992 48.478 1.00 26.31 N ATOM 1403 CA ASP B 675 7.221 18.473 48.607 1.00 28.32 C ATOM 1404 C ASP B 675 7.426 19.749 47.800 1.00 26.33 C ATOM 1405 O ASP B 675 7.894 20.760 48.335 1.00 30.19 O ATOM 1406 CB ASP B 675 8.209 17.387 48.175 1.00 31.59 C ATOM 1407 CG ASP B 675 8.492 16.366 49.289 1.00 49.26 C ATOM 1408 OD1 ASP B 675 8.035 16.573 50.436 1.00 49.80 O ATOM 1409 OD2 ASP B 675 9.170 15.347 49.015 1.00 54.27 O ATOM 1410 H ASP B 675 5.665 17.073 48.026 1.00 0.00 H ATOM 1411 N ARG B 676 7.055 19.724 46.514 1.00 21.50 N ATOM 1412 CA ARG B 676 7.055 20.932 45.685 1.00 26.70 C ATOM 1413 C ARG B 676 6.357 22.117 46.361 1.00 28.68 C ATOM 1414 O ARG B 676 6.850 23.251 46.297 1.00 29.35 O ATOM 1415 CB ARG B 676 6.377 20.649 44.347 1.00 29.33 C ATOM 1416 CG ARG B 676 7.278 20.027 43.311 1.00 35.04 C ATOM 1417 CD ARG B 676 6.595 20.027 41.953 1.00 34.68 C ATOM 1418 NE ARG B 676 5.631 18.932 41.835 1.00 49.26 N ATOM 1419 CZ ARG B 676 4.311 19.094 41.746 1.00 54.07 C ATOM 1420 NH1 ARG B 676 3.779 20.318 41.760 1.00 58.71 N ATOM 1421 NH2 ARG B 676 3.519 18.034 41.640 1.00 32.86 N ATOM 1422 HE ARG B 676 6.002 17.960 41.820 1.00 0.00 H ATOM 1423 HH12 ARG B 676 2.748 20.438 41.690 1.00 0.00 H ATOM 1424 HH11 ARG B 676 4.395 21.152 41.841 1.00 0.00 H ATOM 1425 HH22 ARG B 676 2.489 18.159 41.570 1.00 0.00 H ATOM 1426 HH21 ARG B 676 3.929 17.078 41.626 1.00 0.00 H ATOM 1427 H ARG B 676 6.758 18.821 46.091 1.00 0.00 H ATOM 1428 N ALA B 677 5.194 21.890 46.983 1.00 24.00 N ATOM 1429 CA ALA B 677 4.476 23.011 47.597 1.00 24.62 C ATOM 1430 C ALA B 677 5.226 23.555 48.812 1.00 28.15 C ATOM 1431 O ALA B 677 5.225 24.770 49.058 1.00 25.13 O ATOM 1432 CB ALA B 677 3.063 22.591 47.988 1.00 17.97 C ATOM 1433 H ALA B 677 4.803 20.927 47.030 1.00 0.00 H ATOM 1434 N THR B 678 5.868 22.663 49.579 1.00 27.31 N ATOM 1435 CA THR B 678 6.710 23.067 50.706 1.00 29.59 C ATOM 1436 C THR B 678 7.892 23.912 50.239 1.00 28.11 C ATOM 1437 O THR B 678 8.194 24.953 50.829 1.00 29.62 O ATOM 1438 CB THR B 678 7.222 21.832 51.456 1.00 30.98 C ATOM 1439 OG1 THR B 678 6.116 21.021 51.867 1.00 30.39 O ATOM 1440 CG2 THR B 678 8.044 22.248 52.691 1.00 27.67 C ATOM 1441 HG1 THR B 678 5.606 20.732 51.069 1.00 0.00 H ATOM 1442 H THR B 678 5.764 21.650 49.366 1.00 0.00 H ATOM 1443 N LYS B 679 8.581 23.469 49.185 1.00 23.37 N ATOM 1444 CA LYS B 679 9.674 24.269 48.646 1.00 28.76 C ATOM 1445 C LYS B 679 9.161 25.579 48.059 1.00 31.33 C ATOM 1446 O LYS B 679 9.801 26.627 48.208 1.00 28.50 O ATOM 1447 CB LYS B 679 10.443 23.474 47.594 1.00 23.60 C ATOM 1448 H LYS B 679 8.339 22.556 48.750 1.00 0.00 H ATOM 1449 N LEU B 680 8.010 25.542 47.386 1.00 28.76 N ATOM 1450 CA LEU B 680 7.449 26.770 46.833 1.00 27.57 C ATOM 1451 C LEU B 680 7.213 27.789 47.936 1.00 27.01 C ATOM 1452 O LEU B 680 7.632 28.944 47.827 1.00 30.86 O ATOM 1453 CB LEU B 680 6.152 26.468 46.086 1.00 22.96 C ATOM 1454 CG LEU B 680 5.486 27.618 45.354 1.00 31.48 C ATOM 1455 CD1 LEU B 680 6.461 28.216 44.377 1.00 35.53 C ATOM 1456 CD2 LEU B 680 4.283 27.076 44.612 1.00 38.43 C ATOM 1457 H LEU B 680 7.513 24.638 47.256 1.00 0.00 H ATOM 1458 N GLU B 681 6.589 27.364 49.036 1.00 24.33 N ATOM 1459 CA GLU B 681 6.293 28.309 50.108 1.00 28.16 C ATOM 1460 C GLU B 681 7.567 28.812 50.766 1.00 33.62 C ATOM 1461 O GLU B 681 7.702 30.012 51.039 1.00 32.83 O ATOM 1462 CB GLU B 681 5.389 27.668 51.152 1.00 28.27 C ATOM 1463 CG GLU B 681 5.145 28.552 52.339 1.00 33.19 C ATOM 1464 CD GLU B 681 4.166 27.959 53.329 1.00 40.55 C ATOM 1465 OE1 GLU B 681 3.979 26.720 53.325 1.00 39.76 O ATOM 1466 OE2 GLU B 681 3.564 28.744 54.097 1.00 45.71 O ATOM 1467 H GLU B 681 6.315 26.365 49.129 1.00 0.00 H ATOM 1468 N GLN B 682 8.511 27.910 51.031 1.00 31.60 N ATOM 1469 CA GLN B 682 9.765 28.325 51.647 1.00 37.60 C ATOM 1470 C GLN B 682 10.465 29.383 50.809 1.00 36.51 C ATOM 1471 O GLN B 682 10.966 30.369 51.347 1.00 37.34 O ATOM 1472 CB GLN B 682 10.675 27.116 51.866 1.00 34.74 C ATOM 1473 CG GLN B 682 10.264 26.289 53.075 1.00 45.76 C ATOM 1474 CD GLN B 682 11.015 24.967 53.208 1.00 53.09 C ATOM 1475 OE1 GLN B 682 11.455 24.371 52.219 1.00 47.62 O ATOM 1476 NE2 GLN B 682 11.145 24.493 54.445 1.00 60.65 N ATOM 1477 HE22 GLN B 682 10.760 25.027 55.250 1.00 0.00 H ATOM 1478 HE21 GLN B 682 11.632 23.588 54.607 1.00 0.00 H ATOM 1479 H GLN B 682 8.353 26.909 50.798 1.00 0.00 H ATOM 1480 N GLU B 683 10.464 29.232 49.489 1.00 33.79 N ATOM 1481 CA GLU B 683 11.240 30.163 48.686 1.00 31.50 C ATOM 1482 C GLU B 683 10.436 31.368 48.175 1.00 33.36 C ATOM 1483 O GLU B 683 11.026 32.431 47.974 1.00 33.35 O ATOM 1484 CB GLU B 683 11.897 29.420 47.518 1.00 33.78 C ATOM 1485 CG GLU B 683 12.184 30.323 46.332 1.00 52.14 C ATOM 1486 CD GLU B 683 13.076 29.693 45.287 1.00 69.69 C ATOM 1487 OE1 GLU B 683 13.804 30.446 44.593 1.00 66.07 O ATOM 1488 OE2 GLU B 683 13.034 28.450 45.153 1.00 75.08 O ATOM 1489 H GLU B 683 9.921 28.466 49.041 1.00 0.00 H ATOM 1490 N PHE B 684 9.106 31.281 48.006 1.00 27.03 N ATOM 1491 CA PHE B 684 8.364 32.388 47.391 1.00 25.49 C ATOM 1492 C PHE B 684 7.279 33.007 48.256 1.00 32.47 C ATOM 1493 O PHE B 684 6.490 33.808 47.733 1.00 33.07 O ATOM 1494 CB PHE B 684 7.717 31.965 46.071 1.00 25.19 C ATOM 1495 CG PHE B 684 8.708 31.589 45.007 1.00 27.32 C ATOM 1496 CD1 PHE B 684 9.249 32.557 44.167 1.00 32.26 C ATOM 1497 CD2 PHE B 684 9.102 30.270 44.850 1.00 24.79 C ATOM 1498 CE1 PHE B 684 10.165 32.209 43.183 1.00 28.54 C ATOM 1499 CE2 PHE B 684 10.010 29.914 43.878 1.00 30.68 C ATOM 1500 CZ PHE B 684 10.553 30.891 43.047 1.00 33.89 C ATOM 1501 H PHE B 684 8.600 30.426 48.312 1.00 0.00 H ATOM 1502 N THR B 685 7.220 32.697 49.555 1.00 30.29 N ATOM 1503 CA THR B 685 6.086 33.156 50.356 1.00 35.29 C ATOM 1504 C THR B 685 5.965 34.683 50.370 1.00 39.78 C ATOM 1505 O THR B 685 4.854 35.215 50.488 1.00 39.49 O ATOM 1506 CB THR B 685 6.174 32.590 51.781 1.00 36.14 C ATOM 1507 OG1 THR B 685 5.014 32.975 52.525 1.00 41.87 O ATOM 1508 CG2 THR B 685 7.415 33.076 52.499 1.00 36.92 C ATOM 1509 HG1 THR B 685 5.075 32.608 53.442 1.00 0.00 H ATOM 1510 H THR B 685 7.976 32.133 49.993 1.00 0.00 H ATOM 1511 N GLU B 686 7.072 35.406 50.188 1.00 38.75 N ATOM 1512 CA GLU B 686 7.006 36.866 50.188 1.00 39.57 C ATOM 1513 C GLU B 686 6.227 37.432 48.997 1.00 36.23 C ATOM 1514 O GLU B 686 5.805 38.586 49.044 1.00 39.70 O ATOM 1515 CB GLU B 686 8.423 37.450 50.225 1.00 40.59 C ATOM 1516 CG GLU B 686 9.256 37.247 48.928 1.00 58.38 C ATOM 1517 CD GLU B 686 9.763 35.803 48.713 1.00 70.38 C ATOM 1518 OE1 GLU B 686 9.534 34.928 49.589 1.00 70.29 O ATOM 1519 OE2 GLU B 686 10.391 35.545 47.656 1.00 69.76 O ATOM 1520 H GLU B 686 7.985 34.929 50.046 1.00 0.00 H ATOM 1521 N CYS B 687 5.987 36.655 47.949 1.00 40.04 N ATOM 1522 CA CYS B 687 5.302 37.202 46.785 1.00 36.47 C ATOM 1523 C CYS B 687 3.816 36.853 46.723 1.00 36.68 C ATOM 1524 O CYS B 687 3.145 37.265 45.771 1.00 32.80 O ATOM 1525 CB CYS B 687 6.004 36.748 45.498 1.00 36.87 C ATOM 1526 SG CYS B 687 5.601 35.090 44.956 1.00 31.05 S ATOM 1527 H CYS B 687 6.287 35.659 47.958 1.00 0.00 H ATOM 1528 N PHE B 688 3.268 36.163 47.734 1.00 29.58 N ATOM 1529 CA PHE B 688 1.877 35.705 47.697 1.00 24.56 C ATOM 1530 C PHE B 688 0.891 36.812 48.081 1.00 25.91 C ATOM 1531 O PHE B 688 1.076 37.500 49.082 1.00 26.78 O ATOM 1532 CB PHE B 688 1.685 34.500 48.625 1.00 25.00 C ATOM 1533 CG PHE B 688 2.488 33.269 48.220 1.00 26.31 C ATOM 1534 CD1 PHE B 688 2.809 33.030 46.895 1.00 26.23 C ATOM 1535 CD2 PHE B 688 2.893 32.345 49.170 1.00 30.04 C ATOM 1536 CE1 PHE B 688 3.537 31.904 46.520 1.00 26.82 C ATOM 1537 CE2 PHE B 688 3.609 31.208 48.805 1.00 30.38 C ATOM 1538 CZ PHE B 688 3.939 30.995 47.478 1.00 29.06 C ATOM 1539 H PHE B 688 3.848 35.947 48.570 1.00 0.00 H ATOM 1540 N SER B 689 -0.166 36.979 47.274 1.00 17.06 N ATOM 1541 CA SER B 689 -1.266 37.861 47.639 1.00 19.65 C ATOM 1542 C SER B 689 -2.199 37.227 48.663 1.00 27.38 C ATOM 1543 O SER B 689 -2.864 37.943 49.421 1.00 26.94 O ATOM 1544 CB SER B 689 -2.056 38.243 46.392 1.00 20.42 C ATOM 1545 OG SER B 689 -1.165 38.692 45.393 1.00 24.58 O ATOM 1546 HG SER B 689 -0.669 39.481 45.726 1.00 0.00 H ATOM 1547 H SER B 689 -0.201 36.468 46.369 1.00 0.00 H ATOM 1548 N ALA B 690 -2.270 35.899 48.686 1.00 21.09 N ATOM 1549 CA ALA B 690 -3.185 35.165 49.542 1.00 21.92 C ATOM 1550 C ALA B 690 -2.733 33.721 49.597 1.00 22.86 C ATOM 1551 O ALA B 690 -2.219 33.180 48.615 1.00 19.44 O ATOM 1552 CB ALA B 690 -4.633 35.214 49.048 1.00 17.58 C ATOM 1553 H ALA B 690 -1.639 35.359 48.060 1.00 0.00 H ATOM 1554 N ILE B 691 -2.957 33.111 50.750 1.00 19.15 N ATOM 1555 CA ILE B 691 -2.707 31.699 50.975 1.00 21.33 C ATOM 1556 C ILE B 691 -4.028 31.078 51.386 1.00 23.72 C ATOM 1557 O ILE B 691 -4.674 31.542 52.337 1.00 28.19 O ATOM 1558 CB ILE B 691 -1.630 31.466 52.048 1.00 21.64 C ATOM 1559 CG1 ILE B 691 -0.299 32.075 51.594 1.00 21.92 C ATOM 1560 CG2 ILE B 691 -1.510 29.989 52.326 1.00 22.42 C ATOM 1561 CD1 ILE B 691 0.707 32.205 52.718 1.00 29.34 C ATOM 1562 H ILE B 691 -3.333 33.675 51.539 1.00 0.00 H ATOM 1563 N VAL B 692 -4.426 30.042 50.664 1.00 21.52 N ATOM 1564 CA VAL B 692 -5.725 29.406 50.805 1.00 20.56 C ATOM 1565 C VAL B 692 -5.513 27.943 51.184 1.00 20.74 C ATOM 1566 O VAL B 692 -4.560 27.310 50.712 1.00 20.18 O ATOM 1567 CB VAL B 692 -6.496 29.567 49.478 1.00 24.39 C ATOM 1568 CG1 VAL B 692 -7.514 28.498 49.305 1.00 24.43 C ATOM 1569 CG2 VAL B 692 -7.127 30.987 49.421 1.00 21.20 C ATOM 1570 H VAL B 692 -3.770 29.660 49.953 1.00 0.00 H ATOM 1571 N GLU B 693 -6.391 27.417 52.047 1.00 27.49 N ATOM 1572 CA GLU B 693 -6.358 26.032 52.513 1.00 24.81 C ATOM 1573 C GLU B 693 -7.768 25.456 52.506 1.00 29.04 C ATOM 1574 O GLU B 693 -8.758 26.198 52.474 1.00 29.14 O ATOM 1575 CB GLU B 693 -5.813 25.922 53.940 1.00 24.09 C ATOM 1576 CG GLU B 693 -4.360 26.195 54.103 1.00 27.24 C ATOM 1577 CD GLU B 693 -3.905 25.893 55.525 1.00 36.71 C ATOM 1578 OE1 GLU B 693 -4.771 25.497 56.335 1.00 37.58 O ATOM 1579 OE2 GLU B 693 -2.694 26.025 55.824 1.00 36.18 O ATOM 1580 H GLU B 693 -7.146 28.034 52.409 1.00 0.00 H ATOM 1581 N GLY B 694 -7.861 24.129 52.584 1.00 26.92 N ATOM 1582 CA GLY B 694 -9.165 23.487 52.712 1.00 23.30 C ATOM 1583 C GLY B 694 -9.067 21.972 52.717 1.00 28.68 C ATOM 1584 O GLY B 694 -8.014 21.383 52.445 1.00 28.82 O ATOM 1585 H GLY B 694 -6.999 23.548 52.553 1.00 0.00 H ATOM 1586 N ASP B 695 -10.202 21.347 53.031 1.00 27.86 N ATOM 1587 CA ASP B 695 -10.328 19.901 53.138 1.00 27.12 C ATOM 1588 C ASP B 695 -10.843 19.259 51.865 1.00 21.96 C ATOM 1589 O ASP B 695 -10.941 18.033 51.809 1.00 26.75 O ATOM 1590 CB ASP B 695 -11.275 19.534 54.292 1.00 33.77 C ATOM 1591 CG ASP B 695 -10.681 19.839 55.651 1.00 50.25 C ATOM 1592 OD1 ASP B 695 -9.459 19.608 55.839 1.00 48.18 O ATOM 1593 OD2 ASP B 695 -11.437 20.320 56.527 1.00 63.19 O ATOM 1594 H ASP B 695 -11.047 21.927 53.210 1.00 0.00 H ATOM 1595 N SER B 696 -11.215 20.057 50.872 1.00 19.00 N ATOM 1596 CA SER B 696 -11.672 19.561 49.587 1.00 20.77 C ATOM 1597 C SER B 696 -11.331 20.609 48.541 1.00 22.02 C ATOM 1598 O SER B 696 -11.060 21.772 48.866 1.00 21.40 O ATOM 1599 CB SER B 696 -13.181 19.293 49.596 1.00 15.96 C ATOM 1600 OG SER B 696 -13.877 20.503 49.866 1.00 19.77 O ATOM 1601 HG SER B 696 -14.851 20.328 49.871 1.00 0.00 H ATOM 1602 H SER B 696 -11.177 21.085 51.022 1.00 0.00 H ATOM 1603 N PHE B 697 -11.364 20.201 47.272 1.00 20.50 N ATOM 1604 CA PHE B 697 -11.151 21.196 46.230 1.00 21.71 C ATOM 1605 C PHE B 697 -12.278 22.225 46.211 1.00 18.10 C ATOM 1606 O PHE B 697 -12.034 23.410 45.956 1.00 23.55 O ATOM 1607 CB PHE B 697 -10.995 20.557 44.850 1.00 19.20 C ATOM 1608 CG PHE B 697 -10.900 21.578 43.763 1.00 22.94 C ATOM 1609 CD1 PHE B 697 -9.716 22.267 43.549 1.00 22.20 C ATOM 1610 CD2 PHE B 697 -12.018 21.924 43.017 1.00 21.97 C ATOM 1611 CE1 PHE B 697 -9.640 23.249 42.567 1.00 23.69 C ATOM 1612 CE2 PHE B 697 -11.952 22.906 42.043 1.00 21.75 C ATOM 1613 CZ PHE B 697 -10.770 23.565 41.807 1.00 22.54 C ATOM 1614 H PHE B 697 -11.536 19.203 47.034 1.00 0.00 H ATOM 1615 N GLU B 698 -13.514 21.798 46.473 1.00 20.19 N ATOM 1616 CA GLU B 698 -14.634 22.745 46.526 1.00 22.78 C ATOM 1617 C GLU B 698 -14.368 23.853 47.538 1.00 23.77 C ATOM 1618 O GLU B 698 -14.586 25.038 47.253 1.00 23.82 O ATOM 1619 CB GLU B 698 -15.948 22.022 46.872 1.00 29.46 C ATOM 1620 CG GLU B 698 -16.486 21.074 45.792 1.00 29.47 C ATOM 1621 CD GLU B 698 -15.676 19.762 45.677 1.00 37.00 C ATOM 1622 OE1 GLU B 698 -14.881 19.436 46.598 1.00 34.25 O ATOM 1623 OE2 GLU B 698 -15.827 19.062 44.656 1.00 34.64 O ATOM 1624 H GLU B 698 -13.686 20.786 46.641 1.00 0.00 H ATOM 1625 N GLU B 699 -13.886 23.490 48.730 1.00 23.02 N ATOM 1626 CA GLU B 699 -13.561 24.517 49.710 1.00 23.73 C ATOM 1627 C GLU B 699 -12.494 25.457 49.163 1.00 21.83 C ATOM 1628 O GLU B 699 -12.639 26.686 49.223 1.00 23.65 O ATOM 1629 CB GLU B 699 -13.109 23.891 51.035 1.00 20.51 C ATOM 1630 CG GLU B 699 -12.759 24.958 52.085 1.00 27.50 C ATOM 1631 CD GLU B 699 -12.476 24.381 53.480 1.00 32.14 C ATOM 1632 OE1 GLU B 699 -12.386 23.144 53.604 1.00 37.00 O ATOM 1633 OE2 GLU B 699 -12.326 25.170 54.449 1.00 33.10 O ATOM 1634 H GLU B 699 -13.744 22.485 48.956 1.00 0.00 H ATOM 1635 N ILE B 700 -11.427 24.893 48.590 1.00 20.40 N ATOM 1636 CA ILE B 700 -10.361 25.732 48.040 1.00 20.23 C ATOM 1637 C ILE B 700 -10.899 26.628 46.938 1.00 16.08 C ATOM 1638 O ILE B 700 -10.579 27.822 46.880 1.00 17.75 O ATOM 1639 CB ILE B 700 -9.192 24.872 47.538 1.00 16.10 C ATOM 1640 CG1 ILE B 700 -8.443 24.293 48.737 1.00 22.11 C ATOM 1641 CG2 ILE B 700 -8.247 25.728 46.688 1.00 14.61 C ATOM 1642 CD1 ILE B 700 -7.499 23.174 48.396 1.00 20.97 C ATOM 1643 H ILE B 700 -11.354 23.857 48.535 1.00 0.00 H ATOM 1644 N TYR B 701 -11.756 26.080 46.071 1.00 17.06 N ATOM 1645 CA TYR B 701 -12.209 26.852 44.917 1.00 18.80 C ATOM 1646 C TYR B 701 -13.100 28.007 45.349 1.00 19.77 C ATOM 1647 O TYR B 701 -12.949 29.131 44.856 1.00 20.30 O ATOM 1648 CB TYR B 701 -12.919 25.938 43.920 1.00 16.90 C ATOM 1649 CG TYR B 701 -13.350 26.642 42.676 1.00 23.46 C ATOM 1650 CD1 TYR B 701 -12.429 27.306 41.869 1.00 22.52 C ATOM 1651 CD2 TYR B 701 -14.691 26.681 42.316 1.00 25.37 C ATOM 1652 CE1 TYR B 701 -12.833 27.964 40.735 1.00 24.12 C ATOM 1653 CE2 TYR B 701 -15.103 27.325 41.181 1.00 23.27 C ATOM 1654 CZ TYR B 701 -14.181 27.965 40.389 1.00 25.87 C ATOM 1655 OH TYR B 701 -14.624 28.619 39.260 1.00 22.57 O ATOM 1656 HH TYR B 701 -15.268 29.325 39.520 1.00 0.00 H ATOM 1657 H TYR B 701 -12.098 25.109 46.217 1.00 0.00 H ATOM 1658 N HIS B 702 -14.015 27.756 46.286 1.00 20.50 N ATOM 1659 CA HIS B 702 -14.830 28.838 46.832 1.00 21.79 C ATOM 1660 C HIS B 702 -13.950 29.928 47.449 1.00 20.85 C ATOM 1661 O HIS B 702 -14.106 31.116 47.146 1.00 23.03 O ATOM 1662 CB HIS B 702 -15.836 28.256 47.834 1.00 22.20 C ATOM 1663 CG HIS B 702 -16.706 29.282 48.475 1.00 37.30 C ATOM 1664 ND1 HIS B 702 -16.408 29.849 49.697 1.00 41.64 N ATOM 1665 CD2 HIS B 702 -17.855 29.864 48.057 1.00 46.27 C ATOM 1666 CE1 HIS B 702 -17.343 30.727 50.010 1.00 46.45 C ATOM 1667 NE2 HIS B 702 -18.234 30.753 49.034 1.00 48.32 N ATOM 1668 H HIS B 702 -14.149 26.784 46.630 1.00 0.00 H ATOM 1669 N LYS B 703 -12.950 29.536 48.239 1.00 24.04 N ATOM 1670 CA LYS B 703 -12.034 30.523 48.813 1.00 18.11 C ATOM 1671 C LYS B 703 -11.274 31.298 47.741 1.00 24.64 C ATOM 1672 O LYS B 703 -11.062 32.513 47.873 1.00 24.76 O ATOM 1673 CB LYS B 703 -11.051 29.835 49.755 1.00 22.34 C ATOM 1674 CG LYS B 703 -11.715 29.335 51.043 1.00 25.90 C ATOM 1675 CD LYS B 703 -10.706 28.652 51.942 1.00 17.56 C ATOM 1676 CE LYS B 703 -11.320 28.350 53.291 1.00 24.68 C ATOM 1677 NZ LYS B 703 -10.296 27.853 54.253 1.00 31.72 N ATOM 1678 HZ1 LYS B 703 -9.867 26.981 53.881 1.00 0.00 H ATOM 1679 HZ2 LYS B 703 -9.560 28.577 54.378 1.00 0.00 H ATOM 1680 HZ3 LYS B 703 -10.749 27.655 55.168 1.00 0.00 H ATOM 1681 H LYS B 703 -12.820 28.526 48.448 1.00 0.00 H ATOM 1682 N VAL B 704 -10.820 30.611 46.690 1.00 22.96 N ATOM 1683 CA VAL B 704 -10.057 31.285 45.645 1.00 20.04 C ATOM 1684 C VAL B 704 -10.909 32.373 44.998 1.00 19.00 C ATOM 1685 O VAL B 704 -10.449 33.502 44.798 1.00 19.63 O ATOM 1686 CB VAL B 704 -9.553 30.262 44.605 1.00 24.68 C ATOM 1687 CG1 VAL B 704 -9.334 30.935 43.260 1.00 21.48 C ATOM 1688 CG2 VAL B 704 -8.296 29.540 45.086 1.00 13.97 C ATOM 1689 H VAL B 704 -11.011 29.591 46.616 1.00 0.00 H ATOM 1690 N LYS B 705 -12.167 32.048 44.660 1.00 23.29 N ATOM 1691 CA LYS B 705 -13.061 33.051 44.065 1.00 23.92 C ATOM 1692 C LYS B 705 -13.317 34.207 45.024 1.00 23.16 C ATOM 1693 O LYS B 705 -13.274 35.379 44.623 1.00 23.73 O ATOM 1694 CB LYS B 705 -14.398 32.418 43.655 1.00 20.15 C ATOM 1695 CG LYS B 705 -14.274 31.321 42.625 1.00 19.47 C ATOM 1696 CD LYS B 705 -15.619 31.042 41.973 1.00 25.88 C ATOM 1697 CE LYS B 705 -16.492 30.125 42.815 1.00 24.62 C ATOM 1698 NZ LYS B 705 -17.599 29.549 41.993 1.00 28.06 N ATOM 1699 HZ1 LYS B 705 -18.186 30.320 41.616 1.00 0.00 H ATOM 1700 HZ2 LYS B 705 -17.196 29.001 41.206 1.00 0.00 H ATOM 1701 HZ3 LYS B 705 -18.183 28.926 42.587 1.00 0.00 H ATOM 1702 H LYS B 705 -12.511 31.080 44.820 1.00 0.00 H ATOM 1703 N ARG B 706 -13.580 33.898 46.297 1.00 19.14 N ATOM 1704 CA ARG B 706 -13.792 34.957 47.284 1.00 24.54 C ATOM 1705 C ARG B 706 -12.547 35.813 47.445 1.00 26.67 C ATOM 1706 O ARG B 706 -12.641 37.035 47.611 1.00 28.19 O ATOM 1707 CB ARG B 706 -14.201 34.367 48.636 1.00 25.74 C ATOM 1708 H ARG B 706 -13.634 32.901 46.587 1.00 0.00 H ATOM 1709 N VAL B 707 -11.369 35.187 47.396 1.00 25.75 N ATOM 1710 CA VAL B 707 -10.121 35.941 47.493 1.00 24.09 C ATOM 1711 C VAL B 707 -10.000 36.926 46.337 1.00 23.44 C ATOM 1712 O VAL B 707 -9.628 38.091 46.526 1.00 23.07 O ATOM 1713 CB VAL B 707 -8.915 34.983 47.541 1.00 24.35 C ATOM 1714 CG1 VAL B 707 -7.667 35.692 47.047 1.00 29.40 C ATOM 1715 CG2 VAL B 707 -8.696 34.517 48.957 1.00 25.55 C ATOM 1716 H VAL B 707 -11.339 34.153 47.288 1.00 0.00 H ATOM 1717 N ILE B 708 -10.301 36.473 45.119 1.00 21.05 N ATOM 1718 CA ILE B 708 -10.107 37.339 43.960 1.00 24.51 C ATOM 1719 C ILE B 708 -11.036 38.547 44.035 1.00 23.90 C ATOM 1720 O ILE B 708 -10.627 39.677 43.755 1.00 28.19 O ATOM 1721 CB ILE B 708 -10.309 36.551 42.655 1.00 18.77 C ATOM 1722 CG1 ILE B 708 -9.246 35.454 42.520 1.00 19.47 C ATOM 1723 CG2 ILE B 708 -10.243 37.491 41.457 1.00 18.90 C ATOM 1724 CD1 ILE B 708 -9.467 34.542 41.321 1.00 18.92 C ATOM 1725 H ILE B 708 -10.671 35.509 44.996 1.00 0.00 H ATOM 1726 N GLU B 709 -12.293 38.324 44.424 1.00 17.82 N ATOM 1727 CA GLU B 709 -13.239 39.418 44.592 1.00 27.70 C ATOM 1728 C GLU B 709 -12.769 40.406 45.660 1.00 31.89 C ATOM 1729 O GLU B 709 -12.841 41.622 45.460 1.00 34.15 O ATOM 1730 CB GLU B 709 -14.625 38.853 44.931 1.00 25.37 C ATOM 1731 H GLU B 709 -12.603 37.349 44.611 1.00 0.00 H ATOM 1732 N ASP B 710 -12.263 39.907 46.794 1.00 27.55 N ATOM 1733 CA ASP B 710 -11.808 40.812 47.851 1.00 29.01 C ATOM 1734 C ASP B 710 -10.641 41.669 47.384 1.00 33.80 C ATOM 1735 O ASP B 710 -10.603 42.874 47.651 1.00 31.72 O ATOM 1736 CB ASP B 710 -11.402 40.034 49.107 1.00 35.23 C ATOM 1737 CG ASP B 710 -12.584 39.400 49.828 1.00 36.20 C ATOM 1738 OD1 ASP B 710 -13.751 39.776 49.566 1.00 35.81 O ATOM 1739 OD2 ASP B 710 -12.336 38.511 50.658 1.00 38.27 O ATOM 1740 H ASP B 710 -12.193 38.878 46.924 1.00 0.00 H ATOM 1741 N LEU B 711 -9.675 41.075 46.684 1.00 30.40 N ATOM 1742 CA LEU B 711 -8.489 41.846 46.342 1.00 29.53 C ATOM 1743 C LEU B 711 -8.689 42.717 45.114 1.00 29.48 C ATOM 1744 O LEU B 711 -7.877 43.613 44.879 1.00 34.54 O ATOM 1745 CB LEU B 711 -7.300 40.925 46.102 1.00 31.68 C ATOM 1746 CG LEU B 711 -6.802 40.074 47.253 1.00 31.50 C ATOM 1747 CD1 LEU B 711 -5.825 39.102 46.689 1.00 25.13 C ATOM 1748 CD2 LEU B 711 -6.164 40.937 48.314 1.00 35.14 C ATOM 1749 H LEU B 711 -9.767 40.082 46.389 1.00 0.00 H ATOM 1750 N SER B 712 -9.738 42.474 44.324 1.00 28.55 N ATOM 1751 CA SER B 712 -9.966 43.273 43.122 1.00 33.56 C ATOM 1752 C SER B 712 -10.717 44.574 43.403 1.00 43.32 C ATOM 1753 O SER B 712 -10.513 45.564 42.691 1.00 45.60 O ATOM 1754 CB SER B 712 -10.740 42.455 42.087 1.00 31.10 C ATOM 1755 OG SER B 712 -9.978 41.348 41.650 1.00 35.57 O ATOM 1756 HG SER B 712 -9.768 40.767 42.424 1.00 0.00 H ATOM 1757 H SER B 712 -10.399 41.709 44.567 1.00 0.00 H ATOM 1758 N GLY B 713 -11.588 44.601 44.407 1.00 43.10 N ATOM 1759 CA GLY B 713 -12.436 45.760 44.627 1.00 43.92 C ATOM 1760 C GLY B 713 -11.699 46.942 45.213 1.00 55.14 C ATOM 1761 O GLY B 713 -11.651 47.103 46.434 1.00 67.03 O ATOM 1762 H GLY B 713 -11.663 43.782 45.043 1.00 0.00 H TER 1763 GLY B 713 HETATM 1764 O HOH 1 17.299 42.862 25.078 1.00 70.52 O HETATM 1765 O HOH 2 -15.195 37.143 26.285 1.00 35.33 O HETATM 1766 O HOH 3 -8.418 18.360 42.388 1.00 23.25 O HETATM 1767 O HOH 4 -20.867 28.509 40.847 1.00 43.17 O HETATM 1768 O HOH 5 4.089 31.146 54.300 1.00 40.18 O HETATM 1769 O HOH 6 8.513 35.698 41.517 1.00 31.39 O HETATM 1770 O HOH 7 -1.750 8.740 38.760 1.00 36.19 O HETATM 1771 O HOH 8 -0.674 20.610 16.230 1.00 19.99 O HETATM 1772 O HOH 9 8.331 23.949 44.331 1.00 30.33 O HETATM 1773 O HOH 10 -20.221 34.880 32.489 1.00 31.08 O HETATM 1774 O HOH 11 9.404 31.395 35.616 1.00 26.67 O HETATM 1775 O HOH 12 6.275 42.328 26.325 1.00 22.69 O HETATM 1776 O HOH 13 -12.927 40.546 39.889 1.00 30.81 O HETATM 1777 O HOH 14 14.242 36.863 35.913 1.00 39.05 O HETATM 1778 O HOH 15 -5.226 22.807 52.134 1.00 25.87 O HETATM 1779 O HOH 16 2.498 19.370 7.044 1.00 26.55 O HETATM 1780 O HOH 17 -19.343 27.626 42.427 1.00 39.05 O HETATM 1781 O HOH 18 2.006 5.815 45.066 1.00 30.13 O HETATM 1782 O HOH 19 -10.099 15.192 42.754 1.00 34.06 O HETATM 1783 O HOH 20 -2.916 38.864 25.029 1.00 26.57 O HETATM 1784 O HOH 21 -0.016 22.301 40.841 1.00 27.47 O HETATM 1785 O HOH 22 -0.973 25.020 57.573 1.00 47.19 O HETATM 1786 O HOH 23 0.797 20.463 24.669 1.00 32.09 O HETATM 1787 O HOH 24 -3.252 31.240 37.582 1.00 18.00 O HETATM 1788 O HOH 25 17.111 23.586 23.916 1.00 31.82 O HETATM 1789 O HOH 26 5.705 27.848 33.212 1.00 24.27 O HETATM 1790 O HOH 27 10.822 23.270 20.637 1.00 18.46 O HETATM 1791 O HOH 28 -1.669 36.559 23.923 1.00 30.67 O HETATM 1792 O HOH 29 1.158 20.231 42.326 1.00 30.56 O HETATM 1793 O HOH 30 0.098 40.895 46.290 1.00 30.94 O HETATM 1794 O HOH 31 -14.620 17.107 43.247 1.00 40.09 O HETATM 1795 O HOH 32 10.120 47.856 38.185 1.00 42.13 O HETATM 1796 O HOH 33 -5.517 40.684 33.995 1.00 21.56 O HETATM 1797 O HOH 34 -0.841 31.046 30.834 1.00 28.31 O HETATM 1798 O HOH 35 7.908 30.616 14.827 1.00 28.39 O HETATM 1799 O HOH 36 2.974 15.374 41.679 1.00 22.53 O HETATM 1800 O HOH 37 -13.393 31.675 29.306 1.00 34.48 O HETATM 1801 O HOH 38 -5.231 30.229 31.006 1.00 30.22 O HETATM 1802 O HOH 39 11.502 30.837 13.813 1.00 40.83 O HETATM 1803 O HOH 40 -4.074 36.149 20.148 1.00 35.62 O HETATM 1804 O HOH 41 12.185 32.723 33.030 1.00 25.23 O HETATM 1805 O HOH 42 2.862 27.190 37.116 1.00 32.22 O HETATM 1806 O HOH 43 3.249 35.746 25.194 1.00 17.52 O HETATM 1807 O HOH 44 3.365 26.762 34.465 1.00 27.18 O HETATM 1808 O HOH 45 -12.602 34.227 28.443 1.00 32.93 O HETATM 1809 O HOH 46 4.187 48.757 40.378 1.00 26.48 O HETATM 1810 O HOH 47 -11.702 26.080 31.180 1.00 25.40 O HETATM 1811 O HOH 48 12.287 39.158 29.683 1.00 20.07 O HETATM 1812 O HOH 49 14.252 31.811 42.231 1.00 26.38 O HETATM 1813 O HOH 50 2.834 7.633 40.426 1.00 28.53 O HETATM 1814 O HOH 51 3.519 40.430 22.882 1.00 31.01 O HETATM 1815 O HOH 52 13.278 29.273 32.101 1.00 26.80 O HETATM 1816 O HOH 53 -2.988 32.809 29.987 1.00 25.57 O HETATM 1817 O HOH 54 2.412 21.219 44.500 1.00 25.36 O HETATM 1818 O HOH 55 12.038 35.166 41.077 1.00 35.47 O HETATM 1819 O HOH 56 10.817 40.741 32.837 1.00 34.82 O HETATM 1820 O HOH 57 -5.736 10.786 44.864 1.00 20.74 O HETATM 1821 O HOH 58 -11.616 17.309 47.115 1.00 19.89 O HETATM 1822 O HOH 59 -6.869 33.290 52.314 1.00 40.28 O HETATM 1823 O HOH 60 -1.074 28.846 37.234 1.00 17.69 O HETATM 1824 O HOH 61 -7.134 10.572 47.237 1.00 28.07 O HETATM 1825 O HOH 62 -2.235 45.782 46.340 1.00 34.97 O HETATM 1826 O HOH 63 9.516 38.671 20.781 1.00 30.44 O HETATM 1827 O HOH 64 1.370 41.896 43.445 1.00 31.09 O HETATM 1828 O HOH 65 14.755 28.972 17.532 1.00 24.86 O HETATM 1829 O HOH 66 1.372 40.337 49.168 1.00 27.13 O HETATM 1830 O HOH 67 -3.759 25.949 33.923 1.00 22.97 O HETATM 1831 O HOH 68 -5.308 20.697 38.828 1.00 26.61 O HETATM 1832 O HOH 69 -11.383 23.175 56.307 1.00 39.54 O HETATM 1833 O HOH 70 3.031 26.055 9.173 1.00 30.65 O HETATM 1834 O HOH 71 -4.494 24.470 15.925 1.00 35.66 O HETATM 1835 O HOH 72 0.264 36.482 16.386 1.00 41.19 O HETATM 1836 O HOH 73 9.724 42.666 34.605 1.00 29.85 O HETATM 1837 O HOH 74 15.641 20.537 25.199 1.00 24.80 O HETATM 1838 O HOH 75 18.017 35.138 14.489 1.00 40.16 O HETATM 1839 O HOH 76 3.560 24.567 51.421 1.00 37.12 O HETATM 1840 O HOH 77 -2.774 19.031 41.493 1.00 26.81 O HETATM 1841 O HOH 78 -13.948 35.747 41.810 1.00 22.56 O HETATM 1842 O HOH 79 14.975 32.376 13.707 1.00 43.22 O HETATM 1843 O HOH 80 -8.653 43.457 39.375 1.00 24.90 O HETATM 1844 O HOH 81 -1.869 30.792 11.434 1.00 27.72 O HETATM 1845 O HOH 82 3.103 45.804 40.044 1.00 13.92 O HETATM 1846 O HOH 83 -2.685 21.528 39.088 1.00 24.69 O HETATM 1847 O HOH 84 -7.700 29.365 53.857 1.00 27.89 O HETATM 1848 O HOH 85 16.830 17.753 20.025 1.00 50.81 O HETATM 1849 O HOH 86 -11.954 16.793 44.362 1.00 31.20 O HETATM 1850 O HOH 87 6.829 25.878 53.638 1.00 37.99 O HETATM 1851 O HOH 88 10.174 21.038 19.945 1.00 23.36 O HETATM 1852 O HOH 89 -14.371 23.265 33.838 1.00 44.14 O HETATM 1853 O HOH 90 2.783 15.232 55.498 1.00 36.61 O HETATM 1854 O HOH 91 12.099 36.661 31.048 1.00 31.29 O HETATM 1855 O HOH 92 6.439 27.458 40.266 1.00 26.60 O HETATM 1856 O HOH 93 2.407 24.835 41.480 1.00 21.43 O HETATM 1857 O HOH 94 -0.862 48.313 25.515 1.00 37.26 O HETATM 1858 O HOH 95 -11.317 43.290 38.077 1.00 40.52 O HETATM 1859 O HOH 96 -11.185 33.441 51.027 1.00 36.70 O HETATM 1860 O HOH 97 -6.264 18.838 40.495 1.00 27.22 O HETATM 1861 O HOH 98 11.209 15.772 25.781 1.00 35.74 O HETATM 1862 O HOH 99 6.264 45.056 27.190 1.00 30.97 O HETATM 1863 O HOH 100 -1.525 17.899 43.093 1.00 28.40 O HETATM 1864 O HOH 101 -2.911 28.605 9.800 1.00 40.21 O HETATM 1865 O HOH 102 10.884 35.586 44.150 1.00 43.38 O HETATM 1866 O HOH 103 9.559 44.568 33.155 1.00 36.20 O HETATM 1867 O HOH 104 20.458 39.952 22.816 1.00 46.18 O HETATM 1868 O HOH 105 7.498 39.283 19.318 1.00 35.49 O HETATM 1869 O HOH 106 17.160 24.754 29.315 1.00 35.69 O HETATM 1870 O HOH 107 -1.790 31.925 56.911 1.00 45.59 O HETATM 1871 O HOH 108 14.266 45.813 22.564 1.00 51.66 O HETATM 1872 O HOH 109 3.594 23.757 43.973 1.00 26.22 O HETATM 1873 O HOH 110 -15.566 29.398 28.059 1.00 48.32 O HETATM 1874 O HOH 111 -12.522 23.611 31.137 1.00 43.58 O HETATM 1875 O HOH 112 8.427 26.615 41.295 1.00 35.43 O HETATM 1876 O HOH 113 -16.007 35.159 40.393 1.00 29.05 O HETATM 1877 O HOH 114 3.266 17.383 31.427 1.00 43.10 O HETATM 1878 O HOH 115 5.311 18.941 29.578 1.00 36.77 O HETATM 1879 O HOH 116 6.422 17.804 24.658 1.00 28.82 O HETATM 1880 O HOH 117 14.860 26.660 29.630 1.00 30.16 O HETATM 1881 O HOH 118 12.477 24.645 36.859 1.00 31.81 O HETATM 1882 O HOH 119 14.423 20.363 38.795 1.00 40.62 O HETATM 1883 O HOH 120 12.470 20.509 31.044 1.00 37.70 O HETATM 1884 O HOH 121 -0.569 16.719 32.793 1.00 67.88 O HETATM 1885 O HOH 122 -2.406 29.619 29.580 1.00 33.48 O HETATM 1886 N ALA A 123 -5.688 22.957 28.597 1.00 0.24 N HETATM 1887 CA ALA A 123 -5.003 23.993 27.836 1.00 0.06 C HETATM 1888 C ALA A 123 -3.490 23.962 28.123 1.00 0.23 C HETATM 1889 O ALA A 123 -2.775 24.921 27.839 1.00 -0.39 O HETATM 1890 N ALA A 123 -3.029 22.854 28.698 1.00 -0.26 N HETATM 1891 CA ALA A 123 -1.600 22.604 28.853 1.00 0.13 C HETATM 1892 C ALA A 123 -0.841 22.719 27.522 1.00 0.20 C HETATM 1893 O ALA A 123 -1.292 22.224 26.485 1.00 -0.39 O HETATM 1894 N ALA A 123 0.344 23.327 27.560 1.00 -0.26 N HETATM 1895 CA ALA A 123 1.266 23.327 26.419 1.00 0.13 C HETATM 1896 C ALA A 123 2.561 22.671 26.867 1.00 0.20 C HETATM 1897 O ALA A 123 3.393 23.314 27.524 1.00 -0.39 O HETATM 1898 N ALA A 123 2.737 21.398 26.502 1.00 -0.26 N HETATM 1899 CA ALA A 123 3.866 20.607 27.014 1.00 0.13 C HETATM 1900 C ALA A 123 5.226 21.184 26.604 1.00 0.20 C HETATM 1901 O ALA A 123 6.161 21.183 27.410 1.00 -0.39 O HETATM 1902 N ALA A 123 5.333 21.670 25.368 1.00 -0.26 N HETATM 1903 CA ALA A 123 6.573 22.330 24.921 1.00 0.16 C HETATM 1904 CB ALA A 123 6.433 22.902 23.507 1.00 0.12 C HETATM 1905 OG ALA A 123 6.253 21.923 22.524 1.00 -0.27 O HETATM 1906 P ALA A 123 4.782 22.044 21.905 1.00 0.20 P HETATM 1907 O1P ALA A 123 4.689 21.087 20.619 1.00 -0.55 O HETATM 1908 O2P ALA A 123 3.754 21.496 23.030 1.00 -0.55 O HETATM 1909 O3P ALA A 123 4.449 23.554 21.506 1.00 -0.55 O HETATM 1910 H42 ALA A 123 7.344 23.470 23.270 1.00 0.07 H HETATM 1911 H43 ALA A 123 5.565 23.577 23.489 1.00 0.07 H HETATM 1912 C ALA A 123 6.933 23.479 25.865 1.00 0.21 C HETATM 1913 O ALA A 123 8.071 23.600 26.344 1.00 -0.39 O HETATM 1914 N ALA A 123 5.944 24.334 26.102 1.00 -0.26 N HETATM 1915 CA ALA A 123 6.159 25.530 26.889 1.00 0.14 C HETATM 1916 C ALA A 123 6.560 25.146 28.311 1.00 0.21 C HETATM 1917 O ALA A 123 7.434 25.764 28.890 1.00 -0.39 O HETATM 1918 N ALA A 123 5.878 24.149 28.883 1.00 -0.26 N HETATM 1919 CA ALA A 123 6.168 23.777 30.259 1.00 0.13 C HETATM 1920 C ALA A 123 7.571 23.203 30.368 1.00 0.20 C HETATM 1921 O ALA A 123 8.278 23.479 31.340 1.00 -0.39 O HETATM 1922 N ALA A 123 8.006 22.430 29.366 1.00 -0.26 N HETATM 1923 CA ALA A 123 9.364 21.897 29.425 1.00 0.13 C HETATM 1924 C ALA A 123 10.385 23.018 29.325 1.00 0.20 C HETATM 1925 O ALA A 123 11.419 22.988 30.002 1.00 -0.39 O HETATM 1926 N ALA A 123 10.093 24.041 28.524 1.00 -0.26 N HETATM 1927 CA ALA A 123 11.057 25.115 28.371 1.00 0.13 C HETATM 1928 C ALA A 123 11.172 25.940 29.644 1.00 0.20 C HETATM 1929 O ALA A 123 12.259 26.416 29.983 1.00 -0.39 O HETATM 1930 N ALA A 123 10.059 26.145 30.346 1.00 -0.26 N HETATM 1931 CA ALA A 123 10.031 27.091 31.445 1.00 0.16 C HETATM 1932 C ALA A 123 10.143 26.411 32.792 1.00 0.21 C HETATM 1933 O ALA A 123 10.237 27.102 33.805 1.00 -0.39 O HETATM 1934 N ALA A 123 10.159 25.076 32.827 1.00 -0.26 N HETATM 1935 CA ALA A 123 10.347 24.326 34.065 1.00 0.13 C HETATM 1936 C ALA A 123 11.524 23.370 33.903 1.00 0.21 C HETATM 1937 O ALA A 123 11.365 22.152 34.033 1.00 -0.39 O HETATM 1938 N ALA A 123 12.724 23.891 33.604 1.00 -0.25 N HETATM 1939 CA ALA A 123 13.874 23.003 33.380 1.00 0.13 C HETATM 1940 C ALA A 123 14.275 22.311 34.669 1.00 0.20 C HETATM 1941 O ALA A 123 14.093 22.844 35.768 1.00 -0.39 O HETATM 1942 N ALA A 123 14.807 21.100 34.518 1.00 -0.26 N HETATM 1943 CA ALA A 123 15.363 20.363 35.646 1.00 0.15 C HETATM 1944 C ALA A 123 16.601 21.075 36.176 1.00 0.21 C HETATM 1945 O ALA A 123 17.503 21.426 35.410 1.00 -0.39 O HETATM 1946 N ALA A 123 16.628 21.294 37.482 1.00 -0.27 N HETATM 1947 CA ALA A 123 17.723 21.990 38.144 1.00 0.09 C HETATM 1948 C ALA A 123 18.616 21.026 38.931 1.00 0.06 C HETATM 1949 O ALA A 123 19.826 21.267 39.065 1.00 -0.57 O HETATM 1950 OXT ALA A 123 18.132 20.001 39.437 1.00 -0.57 O HETATM 1951 CB ALA A 123 17.161 23.071 39.068 1.00 -0.02 C HETATM 1952 CG ALA A 123 16.170 23.998 38.352 1.00 -0.04 C HETATM 1953 CD1 ALA A 123 15.497 24.948 39.329 1.00 -0.06 C HETATM 1954 H114 ALA A 123 14.795 25.597 38.785 1.00 0.02 H HETATM 1955 H115 ALA A 123 16.260 25.567 39.823 1.00 0.02 H HETATM 1956 H116 ALA A 123 14.949 24.368 40.086 1.00 0.02 H HETATM 1957 CD2 ALA A 123 16.875 24.762 37.234 1.00 -0.06 C HETATM 1958 H117 ALA A 123 17.351 24.048 36.545 1.00 0.02 H HETATM 1959 H118 ALA A 123 17.642 25.421 37.667 1.00 0.02 H HETATM 1960 H119 ALA A 123 16.140 25.368 36.684 1.00 0.02 H HETATM 1961 H113 ALA A 123 15.387 23.373 37.897 1.00 0.03 H HETATM 1962 H111 ALA A 123 17.996 23.676 39.452 1.00 0.03 H HETATM 1963 H112 ALA A 123 16.645 22.584 39.908 1.00 0.03 H HETATM 1964 H110 ALA A 123 18.340 22.475 37.373 1.00 0.07 H HETATM 1965 H109 ALA A 123 15.863 20.967 38.038 1.00 0.19 H HETATM 1966 CB ALA A 123 15.720 18.942 35.225 1.00 0.08 C HETATM 1967 OG ALA A 123 14.591 18.301 34.670 1.00 -0.39 O HETATM 1968 H108 ALA A 123 14.825 17.417 34.412 1.00 0.21 H HETATM 1969 H106 ALA A 123 16.063 18.377 36.105 1.00 0.06 H HETATM 1970 H107 ALA A 123 16.524 18.976 34.475 1.00 0.06 H HETATM 1971 H105 ALA A 123 14.609 20.317 36.446 1.00 0.08 H HETATM 1972 H104 ALA A 123 14.826 20.686 33.608 1.00 0.19 H HETATM 1973 CB ALA A 123 14.978 23.958 32.910 1.00 -0.01 C HETATM 1974 CG ALA A 123 14.667 25.221 33.623 1.00 -0.03 C HETATM 1975 CD ALA A 123 13.139 25.310 33.560 1.00 0.04 C HETATM 1976 H102 ALA A 123 12.739 25.866 34.421 1.00 0.05 H HETATM 1977 H103 ALA A 123 12.809 25.790 32.627 1.00 0.05 H HETATM 1978 H100 ALA A 123 15.131 26.081 33.117 1.00 0.03 H HETATM 1979 H101 ALA A 123 15.014 25.178 34.666 1.00 0.03 H HETATM 1980 H98 ALA A 123 14.937 24.101 31.820 1.00 0.03 H HETATM 1981 H99 ALA A 123 15.972 23.581 33.193 1.00 0.03 H HETATM 1982 H97 ALA A 123 13.649 22.250 32.611 1.00 0.08 H HETATM 1983 CB ALA A 123 9.058 23.598 34.448 1.00 0.00 C HETATM 1984 CG ALA A 123 7.884 24.583 34.570 1.00 0.04 C HETATM 1985 CD ALA A 123 6.564 23.964 35.066 1.00 0.17 C HETATM 1986 OE1 ALA A 123 6.301 22.777 34.877 1.00 -0.40 O HETATM 1987 NE2 ALA A 123 5.731 24.787 35.692 1.00 -0.30 N HETATM 1988 H95 ALA A 123 4.857 24.446 36.038 1.00 0.18 H HETATM 1989 H96 ALA A 123 5.978 25.748 35.817 1.00 0.18 H HETATM 1990 H93 ALA A 123 7.703 25.023 33.578 1.00 0.05 H HETATM 1991 H94 ALA A 123 8.175 25.375 35.275 1.00 0.05 H HETATM 1992 H91 ALA A 123 9.204 23.091 35.413 1.00 0.03 H HETATM 1993 H92 ALA A 123 8.823 22.852 33.675 1.00 0.03 H HETATM 1994 H90 ALA A 123 10.589 25.035 34.871 1.00 0.08 H HETATM 1995 H89 ALA A 123 10.037 24.571 31.973 1.00 0.19 H HETATM 1996 CB ALA A 123 8.752 27.957 31.381 1.00 0.09 C HETATM 1997 OG1 ALA A 123 7.578 27.132 31.443 1.00 -0.39 O HETATM 1998 H85 ALA A 123 7.578 26.528 30.710 1.00 0.21 H HETATM 1999 CG2 ALA A 123 8.723 28.717 30.076 1.00 -0.03 C HETATM 2000 H86 ALA A 123 7.813 29.333 30.031 1.00 0.03 H HETATM 2001 H87 ALA A 123 8.726 28.006 29.237 1.00 0.03 H HETATM 2002 H88 ALA A 123 9.609 29.366 30.010 1.00 0.03 H HETATM 2003 H84 ALA A 123 8.750 28.664 32.224 1.00 0.06 H HETATM 2004 H83 ALA A 123 10.899 27.757 31.334 1.00 0.08 H HETATM 2005 H82 ALA A 123 9.229 25.639 30.112 1.00 0.19 H HETATM 2006 CB ALA A 123 10.669 26.013 27.199 1.00 -0.02 C HETATM 2007 H79 ALA A 123 11.408 26.821 27.096 1.00 0.03 H HETATM 2008 H80 ALA A 123 9.675 26.447 27.383 1.00 0.03 H HETATM 2009 H81 ALA A 123 10.645 25.418 26.274 1.00 0.03 H HETATM 2010 H78 ALA A 123 12.040 24.669 28.158 1.00 0.08 H HETATM 2011 H77 ALA A 123 9.221 24.069 28.035 1.00 0.19 H HETATM 2012 CB ALA A 123 9.582 20.865 28.320 1.00 -0.01 C HETATM 2013 CG ALA A 123 9.060 19.453 28.660 1.00 -0.04 C HETATM 2014 CD ALA A 123 8.986 18.604 27.387 1.00 -0.01 C HETATM 2015 CE ALA A 123 8.335 17.217 27.601 1.00 -0.04 C HETATM 2016 NZ ALA A 123 7.954 16.586 26.289 1.00 0.22 N HETATM 2017 H74 ALA A 123 7.533 15.686 26.459 1.00 0.20 H HETATM 2018 H75 ALA A 123 8.778 16.470 25.720 1.00 0.20 H HETATM 2019 H76 ALA A 123 7.295 17.180 25.809 1.00 0.20 H HETATM 2020 H72 ALA A 123 7.432 17.336 28.218 1.00 0.08 H HETATM 2021 H73 ALA A 123 9.050 16.561 28.120 1.00 0.08 H HETATM 2022 H70 ALA A 123 10.008 18.453 27.010 1.00 0.03 H HETATM 2023 H71 ALA A 123 8.396 19.152 26.638 1.00 0.03 H HETATM 2024 H68 ALA A 123 8.057 19.532 29.104 1.00 0.03 H HETATM 2025 H69 ALA A 123 9.742 18.975 29.378 1.00 0.03 H HETATM 2026 H66 ALA A 123 10.662 20.795 28.122 1.00 0.03 H HETATM 2027 H67 ALA A 123 9.065 21.215 27.414 1.00 0.03 H HETATM 2028 H65 ALA A 123 9.496 21.396 30.395 1.00 0.08 H HETATM 2029 H64 ALA A 123 7.411 22.221 28.590 1.00 0.19 H HETATM 2030 CB ALA A 123 5.126 22.783 30.785 1.00 -0.01 C HETATM 2031 CG ALA A 123 3.680 23.291 30.913 1.00 -0.04 C HETATM 2032 CD1 ALA A 123 2.753 22.145 31.195 1.00 -0.06 C HETATM 2033 H58 ALA A 123 1.723 22.520 31.284 1.00 0.02 H HETATM 2034 H59 ALA A 123 3.049 21.657 32.136 1.00 0.02 H HETATM 2035 H60 ALA A 123 2.808 21.418 30.372 1.00 0.02 H HETATM 2036 CD2 ALA A 123 3.565 24.335 32.021 1.00 -0.06 C HETATM 2037 H61 ALA A 123 4.247 25.172 31.808 1.00 0.02 H HETATM 2038 H62 ALA A 123 3.835 23.878 32.985 1.00 0.02 H HETATM 2039 H63 ALA A 123 2.531 24.707 32.068 1.00 0.02 H HETATM 2040 H57 ALA A 123 3.387 23.757 29.960 1.00 0.03 H HETATM 2041 H55 ALA A 123 5.453 22.457 31.783 1.00 0.03 H HETATM 2042 H56 ALA A 123 5.116 21.921 30.102 1.00 0.03 H HETATM 2043 H54 ALA A 123 6.119 24.684 30.879 1.00 0.08 H HETATM 2044 H53 ALA A 123 5.173 23.662 28.368 1.00 0.19 H HETATM 2045 CB ALA A 123 4.898 26.403 26.917 1.00 0.02 C HETATM 2046 CG ALA A 123 5.037 27.645 27.786 1.00 -0.05 C HETATM 2047 CD1 ALA A 123 4.813 27.591 29.157 1.00 -0.07 C HETATM 2048 CE1 ALA A 123 4.946 28.733 29.953 1.00 -0.04 C HETATM 2049 CZ ALA A 123 5.292 29.953 29.372 1.00 0.08 C HETATM 2050 CE2 ALA A 123 5.505 30.038 28.007 1.00 -0.04 C HETATM 2051 CD2 ALA A 123 5.378 28.880 27.222 1.00 -0.07 C HETATM 2052 H49 ALA A 123 5.548 28.944 26.153 1.00 0.05 H HETATM 2053 H51 ALA A 123 5.766 30.985 27.550 1.00 0.05 H HETATM 2054 OH ALA A 123 5.424 31.071 30.162 1.00 -0.34 O HETATM 2055 H52 ALA A 123 5.245 30.841 31.066 1.00 0.25 H HETATM 2056 H50 ALA A 123 4.780 28.670 31.022 1.00 0.05 H HETATM 2057 H48 ALA A 123 4.531 26.650 29.616 1.00 0.05 H HETATM 2058 H46 ALA A 123 4.065 25.799 27.305 1.00 0.05 H HETATM 2059 H47 ALA A 123 4.672 26.721 25.889 1.00 0.05 H HETATM 2060 H45 ALA A 123 6.976 26.109 26.433 1.00 0.08 H HETATM 2061 H44 ALA A 123 5.035 24.148 25.730 1.00 0.19 H HETATM 2062 H41 ALA A 123 7.385 21.588 24.927 1.00 0.08 H HETATM 2063 H40 ALA A 123 4.563 21.586 24.736 1.00 0.19 H HETATM 2064 CB ALA A 123 3.755 19.138 26.558 1.00 -0.00 C HETATM 2065 CG ALA A 123 2.399 18.490 26.877 1.00 0.00 C HETATM 2066 CD ALA A 123 2.180 18.281 28.370 1.00 0.04 C HETATM 2067 OE1 ALA A 123 3.173 18.082 29.105 1.00 -0.57 O HETATM 2068 OE2 ALA A 123 1.017 18.307 28.815 1.00 -0.57 O HETATM 2069 H38 ALA A 123 2.350 17.513 26.375 1.00 0.04 H HETATM 2070 H39 ALA A 123 1.600 19.140 26.492 1.00 0.04 H HETATM 2071 H36 ALA A 123 4.543 18.558 27.061 1.00 0.03 H HETATM 2072 H37 ALA A 123 3.910 19.100 25.470 1.00 0.03 H HETATM 2073 H35 ALA A 123 3.813 20.627 28.113 1.00 0.08 H HETATM 2074 H34 ALA A 123 2.089 20.975 25.869 1.00 0.19 H HETATM 2075 CB ALA A 123 1.515 24.737 25.901 1.00 -0.01 C HETATM 2076 CG ALA A 123 0.336 25.372 25.154 1.00 -0.02 C HETATM 2077 CD ALA A 123 0.738 26.774 24.690 1.00 0.06 C HETATM 2078 NE ALA A 123 -0.329 27.470 23.998 1.00 -0.27 N HETATM 2079 CZ ALA A 123 -1.319 28.117 24.599 1.00 0.29 C HETATM 2080 NH1 ALA A 123 -1.395 28.159 25.921 1.00 -0.28 N HETATM 2081 H30 ALA A 123 -2.168 28.664 26.377 1.00 0.26 H HETATM 2082 H31 ALA A 123 -0.681 27.686 26.493 1.00 0.26 H HETATM 2083 NH2 ALA A 123 -2.228 28.736 23.867 1.00 -0.28 N HETATM 2084 H32 ALA A 123 -2.170 28.704 22.839 1.00 0.26 H HETATM 2085 H33 ALA A 123 -2.994 29.250 24.324 1.00 0.26 H HETATM 2086 H29 ALA A 123 -0.318 27.462 22.968 1.00 0.26 H HETATM 2087 H27 ALA A 123 1.597 26.685 24.009 1.00 0.07 H HETATM 2088 H28 ALA A 123 1.028 27.365 25.571 1.00 0.07 H HETATM 2089 H25 ALA A 123 -0.532 25.441 25.826 1.00 0.03 H HETATM 2090 H26 ALA A 123 0.077 24.755 24.281 1.00 0.03 H HETATM 2091 H23 ALA A 123 2.374 24.701 25.215 1.00 0.03 H HETATM 2092 H24 ALA A 123 1.759 25.378 26.761 1.00 0.03 H HETATM 2093 H22 ALA A 123 0.826 22.733 25.605 1.00 0.08 H HETATM 2094 H21 ALA A 123 0.615 23.801 28.398 1.00 0.19 H HETATM 2095 CB ALA A 123 -1.407 21.201 29.402 1.00 -0.01 C HETATM 2096 CG ALA A 123 -1.223 21.110 30.896 1.00 -0.02 C HETATM 2097 CD ALA A 123 -1.062 19.639 31.293 1.00 0.06 C HETATM 2098 NE ALA A 123 0.338 19.240 31.367 1.00 -0.27 N HETATM 2099 CZ ALA A 123 1.103 19.442 32.435 1.00 0.29 C HETATM 2100 NH1 ALA A 123 2.376 19.054 32.423 1.00 -0.28 N HETATM 2101 H17 ALA A 123 2.970 19.210 33.250 1.00 0.26 H HETATM 2102 H18 ALA A 123 2.768 18.598 31.587 1.00 0.26 H HETATM 2103 NH2 ALA A 123 0.591 20.049 33.502 1.00 -0.28 N HETATM 2104 H19 ALA A 123 -0.395 20.346 33.502 1.00 0.26 H HETATM 2105 H20 ALA A 123 1.181 20.222 34.328 1.00 0.26 H HETATM 2106 H16 ALA A 123 0.757 18.777 30.548 1.00 0.26 H HETATM 2107 H14 ALA A 123 -1.570 19.012 30.545 1.00 0.07 H HETATM 2108 H15 ALA A 123 -1.527 19.485 32.278 1.00 0.07 H HETATM 2109 H12 ALA A 123 -2.103 21.534 31.402 1.00 0.03 H HETATM 2110 H13 ALA A 123 -0.324 21.672 31.191 1.00 0.03 H HETATM 2111 H10 ALA A 123 -0.516 20.769 28.924 1.00 0.03 H HETATM 2112 H11 ALA A 123 -2.292 20.606 29.132 1.00 0.03 H HETATM 2113 H9 ALA A 123 -1.187 23.337 29.562 1.00 0.08 H HETATM 2114 H8 ALA A 123 -3.680 22.174 29.033 1.00 0.19 H HETATM 2115 CB ALA A 123 -5.591 25.380 28.155 1.00 -0.00 C HETATM 2116 H5 ALA A 123 -5.060 26.146 27.571 1.00 0.03 H HETATM 2117 H6 ALA A 123 -5.473 25.590 29.228 1.00 0.03 H HETATM 2118 H7 ALA A 123 -6.659 25.394 27.894 1.00 0.03 H HETATM 2119 H4 ALA A 123 -5.155 23.793 26.765 1.00 0.11 H HETATM 2120 H1 ALA A 123 -6.676 22.991 28.398 1.00 0.20 H HETATM 2121 H2 ALA A 123 -5.538 23.109 29.582 1.00 0.20 H HETATM 2122 H3 ALA A 123 -5.324 22.053 28.338 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1886 1887 2120 2121 2122 CONECT 1887 1886 1888 2115 2119 CONECT 1888 1887 1889 1890 CONECT 1889 1888 CONECT 1890 1888 1891 2114 CONECT 1891 1890 1892 2095 2113 CONECT 1892 1891 1893 1894 CONECT 1893 1892 CONECT 1894 1892 1895 2094 CONECT 1895 1894 1896 2075 2093 CONECT 1896 1895 1897 1898 CONECT 1897 1896 CONECT 1898 1896 1899 2074 CONECT 1899 1898 1900 2064 2073 CONECT 1900 1899 1901 1902 CONECT 1901 1900 CONECT 1902 1900 1903 2063 CONECT 1903 1902 1904 1912 2062 CONECT 1904 1903 1905 1910 1911 CONECT 1905 1904 1906 CONECT 1906 1905 1907 1908 1909 CONECT 1907 1906 CONECT 1908 1906 CONECT 1909 1906 CONECT 1910 1904 CONECT 1911 1904 CONECT 1912 1903 1913 1914 CONECT 1913 1912 CONECT 1914 1912 1915 2061 CONECT 1915 1914 1916 2045 2060 CONECT 1916 1915 1917 1918 CONECT 1917 1916 CONECT 1918 1916 1919 2044 CONECT 1919 1918 1920 2030 2043 CONECT 1920 1919 1921 1922 CONECT 1921 1920 CONECT 1922 1920 1923 2029 CONECT 1923 1922 1924 2012 2028 CONECT 1924 1923 1925 1926 CONECT 1925 1924 CONECT 1926 1924 1927 2011 CONECT 1927 1926 1928 2006 2010 CONECT 1928 1927 1929 1930 CONECT 1929 1928 CONECT 1930 1928 1931 2005 CONECT 1931 1930 1932 1996 2004 CONECT 1932 1931 1933 1934 CONECT 1933 1932 CONECT 1934 1932 1935 1995 CONECT 1935 1934 1936 1983 1994 CONECT 1936 1935 1937 1938 CONECT 1937 1936 CONECT 1938 1936 1939 1975 CONECT 1939 1938 1940 1973 1982 CONECT 1940 1939 1941 1942 CONECT 1941 1940 CONECT 1942 1940 1943 1972 CONECT 1943 1942 1944 1966 1971 CONECT 1944 1943 1945 1946 CONECT 1945 1944 CONECT 1946 1944 1947 1965 CONECT 1947 1946 1948 1951 1964 CONECT 1948 1947 1949 1950 CONECT 1949 1948 CONECT 1950 1948 CONECT 1951 1947 1952 1962 1963 CONECT 1952 1951 1953 1957 1961 CONECT 1953 1952 1954 1955 1956 CONECT 1954 1953 CONECT 1955 1953 CONECT 1956 1953 CONECT 1957 1952 1958 1959 1960 CONECT 1958 1957 CONECT 1959 1957 CONECT 1960 1957 CONECT 1961 1952 CONECT 1962 1951 CONECT 1963 1951 CONECT 1964 1947 CONECT 1965 1946 CONECT 1966 1943 1967 1969 1970 CONECT 1967 1966 1968 CONECT 1968 1967 CONECT 1969 1966 CONECT 1970 1966 CONECT 1971 1943 CONECT 1972 1942 CONECT 1973 1939 1974 1980 1981 CONECT 1974 1973 1975 1978 1979 CONECT 1975 1938 1974 1976 1977 CONECT 1976 1975 CONECT 1977 1975 CONECT 1978 1974 CONECT 1979 1974 CONECT 1980 1973 CONECT 1981 1973 CONECT 1982 1939 CONECT 1983 1935 1984 1992 1993 CONECT 1984 1983 1985 1990 1991 CONECT 1985 1984 1986 1987 CONECT 1986 1985 CONECT 1987 1985 1988 1989 CONECT 1988 1987 CONECT 1989 1987 CONECT 1990 1984 CONECT 1991 1984 CONECT 1992 1983 CONECT 1993 1983 CONECT 1994 1935 CONECT 1995 1934 CONECT 1996 1931 1997 1999 2003 CONECT 1997 1996 1998 CONECT 1998 1997 CONECT 1999 1996 2000 2001 2002 CONECT 2000 1999 CONECT 2001 1999 CONECT 2002 1999 CONECT 2003 1996 CONECT 2004 1931 CONECT 2005 1930 CONECT 2006 1927 2007 2008 2009 CONECT 2007 2006 CONECT 2008 2006 CONECT 2009 2006 CONECT 2010 1927 CONECT 2011 1926 CONECT 2012 1923 2013 2026 2027 CONECT 2013 2012 2014 2024 2025 CONECT 2014 2013 2015 2022 2023 CONECT 2015 2014 2016 2020 2021 CONECT 2016 2015 2017 2018 2019 CONECT 2017 2016 CONECT 2018 2016 CONECT 2019 2016 CONECT 2020 2015 CONECT 2021 2015 CONECT 2022 2014 CONECT 2023 2014 CONECT 2024 2013 CONECT 2025 2013 CONECT 2026 2012 CONECT 2027 2012 CONECT 2028 1923 CONECT 2029 1922 CONECT 2030 1919 2031 2041 2042 CONECT 2031 2030 2032 2036 2040 CONECT 2032 2031 2033 2034 2035 CONECT 2033 2032 CONECT 2034 2032 CONECT 2035 2032 CONECT 2036 2031 2037 2038 2039 CONECT 2037 2036 CONECT 2038 2036 CONECT 2039 2036 CONECT 2040 2031 CONECT 2041 2030 CONECT 2042 2030 CONECT 2043 1919 CONECT 2044 1918 CONECT 2045 1915 2046 2058 2059 CONECT 2046 2045 2047 2051 CONECT 2047 2046 2048 2057 CONECT 2048 2047 2049 2056 CONECT 2049 2048 2050 2054 CONECT 2050 2049 2051 2053 CONECT 2051 2046 2050 2052 CONECT 2052 2051 CONECT 2053 2050 CONECT 2054 2049 2055 CONECT 2055 2054 CONECT 2056 2048 CONECT 2057 2047 CONECT 2058 2045 CONECT 2059 2045 CONECT 2060 1915 CONECT 2061 1914 CONECT 2062 1903 CONECT 2063 1902 CONECT 2064 1899 2065 2071 2072 CONECT 2065 2064 2066 2069 2070 CONECT 2066 2065 2067 2068 CONECT 2067 2066 CONECT 2068 2066 CONECT 2069 2065 CONECT 2070 2065 CONECT 2071 2064 CONECT 2072 2064 CONECT 2073 1899 CONECT 2074 1898 CONECT 2075 1895 2076 2091 2092 CONECT 2076 2075 2077 2089 2090 CONECT 2077 2076 2078 2087 2088 CONECT 2078 2077 2079 2086 CONECT 2079 2078 2080 2083 CONECT 2080 2079 2081 2082 CONECT 2081 2080 CONECT 2082 2080 CONECT 2083 2079 2084 2085 CONECT 2084 2083 CONECT 2085 2083 CONECT 2086 2078 CONECT 2087 2077 CONECT 2088 2077 CONECT 2089 2076 CONECT 2090 2076 CONECT 2091 2075 CONECT 2092 2075 CONECT 2093 1895 CONECT 2094 1894 CONECT 2095 1891 2096 2111 2112 CONECT 2096 2095 2097 2109 2110 CONECT 2097 2096 2098 2107 2108 CONECT 2098 2097 2099 2106 CONECT 2099 2098 2100 2103 CONECT 2100 2099 2101 2102 CONECT 2101 2100 CONECT 2102 2100 CONECT 2103 2099 2104 2105 CONECT 2104 2103 CONECT 2105 2103 CONECT 2106 2098 CONECT 2107 2097 CONECT 2108 2097 CONECT 2109 2096 CONECT 2110 2096 CONECT 2111 2095 CONECT 2112 2095 CONECT 2113 1891 CONECT 2114 1890 CONECT 2115 1887 2116 2117 2118 CONECT 2116 2115 CONECT 2117 2115 CONECT 2118 2115 CONECT 2119 1887 CONECT 2120 1886 CONECT 2121 1886 CONECT 2122 1886 MASTER 0 0 0 0 0 0 0 0 2121 1 241 15 END
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1a37
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1klu
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1kne
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1t79
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3gv6
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4hfz
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5epp
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5h5q
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5ix1
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5izu
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5j19
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15-mer
5j9k
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5jlz
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15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
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PDBbind
15-mer
5kzp
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PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
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PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
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15-mer
5uwj
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15-mer
5v4b
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15-mer
5vb9
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PDBbind
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5vzy
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PDBbind
15-mer
5wir
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15-mer
5znp
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15-mer
5zuj
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15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
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PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
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5vtb
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6a5e
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Entry Information
PDB ID
5ypo
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
PSD-95 guanylate kinase
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
2.29(Å)
Affinity (Kd/Ki/IC50)
Kd=0.08uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Cell Rep Vol. 21: pp. 3781-3793
Ligand Properties
Formula
C
7
0
H
1
2
4
N
2
2
O
2
5
P
Molecular Weight
1704.840
Exact Mass
1703.880
No. of atoms
242
No. of bonds
243
Polar Surface Area
818.7
LOGP Value
-6.14 (
Computed with XLOGP3
)
-6.44 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 24
No. of Rotatable Bonds: 68
No. of Nitrogen and Oxygen Atoms: 47
No. of Rings: 2
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CO)CCC(=O)N)[C@H](O)C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCC[NH+]=C(N)N)CCC(=O)O)COP(O)(O)O)Cc1ccc(cc1)O)CC(C)C
InChI String
InChI=1S/C70H121N22O25P/c1-34(2)29-46(61(105)83-41(13-8-9-25-71)57(101)80-37(6)56(100)91-54(38(7)94)66(110)85-45(21-23-52(73)96)67(111)92-28-12-16-51(92)65(109)89-49(32-93)63(107)88-48(68(112)113)30-35(3)4)86-62(106)47(31-39-17-19-40(95)20-18-39)87-64(108)50(33-117-118(114,115)116)90-60(104)44(22-24-53(97)98)84-59(103)43(15-11-27-79-70(76)77)82-58(102)42(81-55(99)36(5)72)14-10-26-78-69(74)75/h17-20,34-38,41-51,54,93-95,114-116,118H,8-16,21-33,71-72H2,1-7H3,(H2,73,96)(H,80,101)(H,81,99)(H,82,102)(H,83,105)(H,84,103)(H,85,110)(H,86,106)(H,87,108)(H,88,107)(H,89,109)(H,90,104)(H,91,100)(H,97,98)(H,112,113)(H4,74,75,78)(H4,76,77,79)/p+4/t36-,37-,38+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,54-/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):
O14490
P31016
Entrez Gene ID
NCBI Entrez Gene ID:
9229
29495
ASD
Information of known allosteric effects of PDB entries
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