Browse entries in the PDBbind-CN Database
HEADER 3WP1_COMPLEX COMPND 3WP1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 180 TYR ALA ARG PRO ILE ILE ILE LEU GLY PRO THR LYS ASP SEQRES 2 B 180 ARG ALA ASN ASP ASP LEU LEU SER GLU PHE PRO ASP LYS SEQRES 3 B 180 PHE GLY SER CYS VAL PRO HIS THR THR ARG PRO LYS ARG SEQRES 4 B 180 GLU TYR GLU ILE ASP GLY ARG ASP TYR HIS PHE VAL SER SEQRES 5 B 180 SER ARG GLU LYS MET GLU LYS ASP ILE GLN ALA HIS LYS SEQRES 6 B 180 PHE ILE GLU ALA GLY GLN TYR ASN SER HIS LEU TYR GLY SEQRES 7 B 180 THR SER VAL GLN SER VAL ARG GLU VAL ALA GLU GLN GLY SEQRES 8 B 180 LYS HIS CYS ILE LEU ASP VAL SER ALA ASN ALA VAL ARG SEQRES 9 B 180 ARG LEU GLN ALA ALA HIS LEU HIS PRO ILE ALA ILE PHE SEQRES 10 B 180 ILE ARG PRO ARG SER LEU GLU ASN VAL LEU GLU ILE ASN SEQRES 11 B 180 LYS ARG ILE THR GLU GLU GLN ALA ARG LYS ALA PHE ASP SEQRES 12 B 180 ARG ALA THR LYS LEU GLU GLN GLU PHE THR GLU CYS PHE SEQRES 13 B 180 SER ALA ILE VAL GLU GLY ASP SER PHE GLU GLU ILE TYR SEQRES 14 B 180 HIS LYS VAL LYS ARG VAL ILE GLU ASP LEU SER HET LYS A 185 227 ATOM 1 N TYR B 533 133.737 167.353 -5.421 1.00117.03 N ATOM 2 CA TYR B 533 134.807 166.954 -4.499 1.00118.15 C ATOM 3 C TYR B 533 134.271 166.472 -3.136 1.00112.13 C ATOM 4 O TYR B 533 133.361 167.082 -2.563 1.00116.94 O ATOM 5 CB TYR B 533 135.815 168.096 -4.316 1.00118.66 C ATOM 6 CG TYR B 533 136.556 168.052 -2.999 1.00118.69 C ATOM 7 CD1 TYR B 533 136.073 168.727 -1.885 1.00123.02 C ATOM 8 CD2 TYR B 533 137.732 167.336 -2.867 1.00123.56 C ATOM 9 CE1 TYR B 533 136.740 168.689 -0.675 1.00127.08 C ATOM 10 CE2 TYR B 533 138.412 167.292 -1.655 1.00127.18 C ATOM 11 CZ TYR B 533 137.909 167.972 -0.563 1.00128.29 C ATOM 12 OH TYR B 533 138.576 167.938 0.642 1.00127.63 O ATOM 13 HH TYR B 533 139.485 168.313 0.526 1.00 0.00 H ATOM 14 HN3 TYR B 533 133.191 168.131 -5.000 1.00 0.00 H ATOM 15 HN2 TYR B 533 133.110 166.542 -5.594 1.00 0.00 H ATOM 16 HN1 TYR B 533 134.155 167.668 -6.320 1.00 0.00 H ATOM 17 N ALA B 534 134.850 165.389 -2.617 1.00 93.20 N ATOM 18 CA ALA B 534 134.358 164.764 -1.390 1.00 78.18 C ATOM 19 C ALA B 534 135.391 164.801 -0.269 1.00 84.37 C ATOM 20 O ALA B 534 136.551 164.460 -0.477 1.00 93.73 O ATOM 21 CB ALA B 534 133.932 163.333 -1.663 1.00 63.19 C ATOM 22 H ALA B 534 135.675 164.977 -3.098 1.00 0.00 H ATOM 23 N ARG B 535 134.969 165.203 0.924 1.00 85.76 N ATOM 24 CA ARG B 535 135.893 165.326 2.049 1.00 84.61 C ATOM 25 C ARG B 535 136.444 163.967 2.507 1.00 86.29 C ATOM 26 O ARG B 535 135.713 162.977 2.596 1.00 84.93 O ATOM 27 CB ARG B 535 135.236 166.072 3.221 1.00 79.96 C ATOM 28 CG ARG B 535 135.040 167.558 2.981 1.00 77.42 C ATOM 29 CD ARG B 535 134.100 168.224 4.007 1.00 77.84 C ATOM 30 NE ARG B 535 134.637 168.295 5.371 1.00 76.82 N ATOM 31 CZ ARG B 535 133.964 168.789 6.413 1.00 72.07 C ATOM 32 NH1 ARG B 535 132.737 169.254 6.247 1.00 72.89 N ATOM 33 NH2 ARG B 535 134.507 168.810 7.625 1.00 72.79 N ATOM 34 HE ARG B 535 135.600 167.939 5.536 1.00 0.00 H ATOM 35 HH12 ARG B 535 132.213 169.639 7.058 1.00 0.00 H ATOM 36 HH11 ARG B 535 132.297 169.235 5.305 1.00 0.00 H ATOM 37 HH22 ARG B 535 133.972 169.198 8.428 1.00 0.00 H ATOM 38 HH21 ARG B 535 135.467 168.439 7.771 1.00 0.00 H ATOM 39 H ARG B 535 133.964 165.434 1.060 1.00 0.00 H ATOM 40 N PRO B 536 137.750 163.918 2.787 1.00 80.87 N ATOM 41 CA PRO B 536 138.369 162.715 3.335 1.00 73.03 C ATOM 42 C PRO B 536 137.875 162.493 4.753 1.00 62.57 C ATOM 43 O PRO B 536 137.589 163.452 5.453 1.00 70.43 O ATOM 44 CB PRO B 536 139.857 163.075 3.367 1.00 77.02 C ATOM 45 CG PRO B 536 140.001 164.245 2.475 1.00 77.55 C ATOM 46 CD PRO B 536 138.729 164.994 2.585 1.00 77.94 C ATOM 47 N ILE B 537 137.810 161.240 5.171 1.00 57.48 N ATOM 48 CA ILE B 537 137.334 160.884 6.490 1.00 57.35 C ATOM 49 C ILE B 537 138.513 160.447 7.326 1.00 64.39 C ATOM 50 O ILE B 537 139.401 159.764 6.822 1.00 74.16 O ATOM 51 CB ILE B 537 136.370 159.663 6.419 1.00 64.88 C ATOM 52 CG1 ILE B 537 135.245 159.895 5.404 1.00 66.05 C ATOM 53 CG2 ILE B 537 135.796 159.328 7.795 1.00 61.21 C ATOM 54 CD1 ILE B 537 134.513 161.209 5.583 1.00 63.32 C ATOM 55 H ILE B 537 138.113 160.482 4.527 1.00 0.00 H ATOM 56 N ILE B 538 138.522 160.829 8.599 1.00 61.98 N ATOM 57 CA ILE B 538 139.410 160.220 9.584 1.00 61.94 C ATOM 58 C ILE B 538 138.613 159.852 10.808 1.00 61.39 C ATOM 59 O ILE B 538 138.054 160.718 11.472 1.00 69.04 O ATOM 60 CB ILE B 538 140.500 161.180 10.078 1.00 65.49 C ATOM 61 CG1 ILE B 538 141.300 161.739 8.906 1.00 74.55 C ATOM 62 CG2 ILE B 538 141.400 160.483 11.117 1.00 57.21 C ATOM 63 CD1 ILE B 538 142.316 162.754 9.320 1.00 76.39 C ATOM 64 H ILE B 538 137.876 161.585 8.903 1.00 0.00 H ATOM 65 N ILE B 539 138.576 158.575 11.130 1.00 62.77 N ATOM 66 CA ILE B 539 137.919 158.159 12.344 1.00 67.29 C ATOM 67 C ILE B 539 138.977 157.814 13.353 1.00 69.92 C ATOM 68 O ILE B 539 139.894 157.044 13.057 1.00 79.25 O ATOM 69 CB ILE B 539 137.107 156.906 12.117 1.00 73.12 C ATOM 70 CG1 ILE B 539 136.535 156.918 10.693 1.00 69.12 C ATOM 71 CG2 ILE B 539 136.064 156.761 13.228 1.00 69.97 C ATOM 72 CD1 ILE B 539 135.045 157.025 10.628 1.00 57.09 C ATOM 73 H ILE B 539 139.020 157.868 10.510 1.00 0.00 H ATOM 74 N LEU B 540 138.840 158.368 14.549 1.00 65.43 N ATOM 75 CA LEU B 540 139.787 158.106 15.623 1.00 61.82 C ATOM 76 C LEU B 540 139.039 157.543 16.821 1.00 63.38 C ATOM 77 O LEU B 540 137.814 157.638 16.897 1.00 61.07 O ATOM 78 CB LEU B 540 140.524 159.386 16.023 1.00 60.20 C ATOM 79 CG LEU B 540 141.149 160.181 14.875 1.00 65.83 C ATOM 80 CD1 LEU B 540 140.923 161.657 15.084 1.00 69.40 C ATOM 81 CD2 LEU B 540 142.630 159.897 14.756 1.00 67.59 C ATOM 82 H LEU B 540 138.037 159.005 14.724 1.00 0.00 H ATOM 83 N GLY B 541 139.777 156.949 17.750 1.00 66.72 N ATOM 84 CA GLY B 541 139.170 156.365 18.924 1.00 69.44 C ATOM 85 C GLY B 541 138.958 154.890 18.698 1.00 80.08 C ATOM 86 O GLY B 541 139.253 154.369 17.612 1.00 81.04 O ATOM 87 H GLY B 541 140.809 156.903 17.631 1.00 0.00 H ATOM 88 N PRO B 542 138.461 154.197 19.733 1.00 83.33 N ATOM 89 CA PRO B 542 138.153 152.768 19.622 1.00 81.14 C ATOM 90 C PRO B 542 137.217 152.493 18.449 1.00 85.37 C ATOM 91 O PRO B 542 136.324 153.305 18.179 1.00 93.99 O ATOM 92 CB PRO B 542 137.457 152.452 20.958 1.00 76.36 C ATOM 93 CG PRO B 542 137.122 153.792 21.577 1.00 75.04 C ATOM 94 CD PRO B 542 138.159 154.733 21.073 1.00 77.59 C ATOM 95 N THR B 543 137.446 151.381 17.756 1.00 84.51 N ATOM 96 CA THR B 543 136.561 150.902 16.691 1.00 83.79 C ATOM 97 C THR B 543 136.812 151.537 15.322 1.00 78.80 C ATOM 98 O THR B 543 136.134 151.214 14.333 1.00 80.45 O ATOM 99 CB THR B 543 135.077 150.975 17.089 1.00 85.28 C ATOM 100 OG1 THR B 543 134.930 150.464 18.419 1.00 89.78 O ATOM 101 CG2 THR B 543 134.259 150.137 16.178 1.00 90.86 C ATOM 102 HG1 THR B 543 135.472 151.009 19.043 1.00 0.00 H ATOM 103 H THR B 543 138.295 150.824 17.981 1.00 0.00 H ATOM 104 N LYS B 544 137.788 152.438 15.264 1.00 71.59 N ATOM 105 CA LYS B 544 138.057 153.120 14.010 1.00 73.52 C ATOM 106 C LYS B 544 138.209 152.122 12.855 1.00 76.94 C ATOM 107 O LYS B 544 137.464 152.181 11.865 1.00 77.15 O ATOM 108 CB LYS B 544 139.244 154.082 14.126 1.00 65.10 C ATOM 109 CG LYS B 544 140.522 153.520 14.649 1.00 67.60 C ATOM 110 CD LYS B 544 141.673 154.203 13.928 1.00 78.65 C ATOM 111 CE LYS B 544 143.015 154.046 14.616 1.00 79.47 C ATOM 112 NZ LYS B 544 143.861 155.200 14.179 1.00 82.38 N ATOM 113 HZ1 LYS B 544 143.970 155.176 13.145 1.00 0.00 H ATOM 114 HZ2 LYS B 544 143.403 156.090 14.460 1.00 0.00 H ATOM 115 HZ3 LYS B 544 144.796 155.133 14.629 1.00 0.00 H ATOM 116 H LYS B 544 138.354 152.653 16.110 1.00 0.00 H ATOM 117 N ASP B 545 139.106 151.162 13.031 1.00 76.14 N ATOM 118 CA ASP B 545 139.358 150.133 12.028 1.00 74.64 C ATOM 119 C ASP B 545 138.080 149.432 11.565 1.00 72.96 C ATOM 120 O ASP B 545 137.824 149.360 10.360 1.00 80.28 O ATOM 121 CB ASP B 545 140.376 149.124 12.554 1.00 72.61 C ATOM 122 CG ASP B 545 141.659 149.788 13.037 1.00 89.68 C ATOM 123 OD1 ASP B 545 141.806 151.019 12.831 1.00100.78 O ATOM 124 OD2 ASP B 545 142.525 149.083 13.610 1.00 94.37 O ATOM 125 H ASP B 545 139.650 151.142 13.917 1.00 0.00 H ATOM 126 N ARG B 546 137.265 148.953 12.506 1.00 60.52 N ATOM 127 CA ARG B 546 136.015 148.288 12.132 1.00 66.92 C ATOM 128 C ARG B 546 135.099 149.232 11.362 1.00 77.25 C ATOM 129 O ARG B 546 134.547 148.881 10.321 1.00 80.76 O ATOM 130 CB ARG B 546 135.272 147.738 13.355 1.00 70.25 C ATOM 131 CG ARG B 546 134.045 146.891 12.986 1.00 78.41 C ATOM 132 CD ARG B 546 133.406 146.198 14.195 1.00 89.18 C ATOM 133 NE ARG B 546 132.147 145.539 13.834 1.00100.44 N ATOM 134 CZ ARG B 546 131.311 144.971 14.701 1.00107.16 C ATOM 135 NH1 ARG B 546 131.585 144.973 16.001 1.00110.51 N ATOM 136 NH2 ARG B 546 130.185 144.418 14.266 1.00106.82 N ATOM 137 HE ARG B 546 131.888 145.513 12.827 1.00 0.00 H ATOM 138 HH12 ARG B 546 130.927 144.527 16.672 1.00 0.00 H ATOM 139 HH11 ARG B 546 132.457 145.420 16.348 1.00 0.00 H ATOM 140 HH22 ARG B 546 129.530 143.973 14.940 1.00 0.00 H ATOM 141 HH21 ARG B 546 129.958 144.429 13.251 1.00 0.00 H ATOM 142 H ARG B 546 137.518 149.052 13.510 1.00 0.00 H ATOM 143 N ALA B 547 134.949 150.438 11.883 1.00 77.47 N ATOM 144 CA ALA B 547 134.146 151.441 11.222 1.00 71.27 C ATOM 145 C ALA B 547 134.644 151.668 9.803 1.00 70.81 C ATOM 146 O ALA B 547 133.853 151.691 8.859 1.00 72.49 O ATOM 147 CB ALA B 547 134.212 152.714 11.996 1.00 65.58 C ATOM 148 H ALA B 547 135.417 150.668 12.783 1.00 0.00 H ATOM 149 N ASN B 548 135.959 151.817 9.658 1.00 68.47 N ATOM 150 CA ASN B 548 136.553 152.082 8.354 1.00 69.65 C ATOM 151 C ASN B 548 136.285 150.957 7.366 1.00 78.89 C ATOM 152 O ASN B 548 135.828 151.197 6.244 1.00 87.25 O ATOM 153 CB ASN B 548 138.057 152.286 8.471 1.00 67.95 C ATOM 154 CG ASN B 548 138.434 153.552 9.226 1.00 70.29 C ATOM 155 OD1 ASN B 548 137.957 154.655 8.943 1.00 69.10 O ATOM 156 ND2 ASN B 548 139.321 153.392 10.194 1.00 76.88 N ATOM 157 HD22 ASN B 548 139.699 152.446 10.402 1.00 0.00 H ATOM 158 HD21 ASN B 548 139.640 154.212 10.748 1.00 0.00 H ATOM 159 H ASN B 548 136.575 151.743 10.493 1.00 0.00 H ATOM 160 N ASP B 549 136.563 149.728 7.782 1.00 80.36 N ATOM 161 CA ASP B 549 136.377 148.582 6.890 1.00 88.06 C ATOM 162 C ASP B 549 134.915 148.386 6.504 1.00 89.38 C ATOM 163 O ASP B 549 134.601 148.000 5.376 1.00 92.34 O ATOM 164 CB ASP B 549 136.934 147.305 7.514 1.00 83.80 C ATOM 165 CG ASP B 549 138.395 147.450 7.915 1.00 93.81 C ATOM 166 OD1 ASP B 549 138.988 148.513 7.618 1.00 99.93 O ATOM 167 OD2 ASP B 549 138.954 146.509 8.527 1.00 95.25 O ATOM 168 H ASP B 549 136.916 149.578 8.749 1.00 0.00 H ATOM 169 N ASP B 550 134.032 148.665 7.453 1.00 81.96 N ATOM 170 CA ASP B 550 132.616 148.491 7.244 1.00 79.26 C ATOM 171 C ASP B 550 132.168 149.445 6.170 1.00 82.59 C ATOM 172 O ASP B 550 131.565 149.045 5.176 1.00 87.69 O ATOM 173 CB ASP B 550 131.868 148.740 8.547 1.00 81.90 C ATOM 174 CG ASP B 550 131.877 147.516 9.472 1.00 91.33 C ATOM 175 OD1 ASP B 550 132.639 146.539 9.224 1.00 87.14 O ATOM 176 OD2 ASP B 550 131.114 147.539 10.461 1.00 97.58 O ATOM 177 H ASP B 550 134.369 149.018 8.371 1.00 0.00 H ATOM 178 N LEU B 551 132.502 150.710 6.369 1.00 79.50 N ATOM 179 CA LEU B 551 132.192 151.757 5.412 1.00 76.47 C ATOM 180 C LEU B 551 132.664 151.427 4.009 1.00 78.33 C ATOM 181 O LEU B 551 131.912 151.555 3.043 1.00 80.68 O ATOM 182 CB LEU B 551 132.869 153.044 5.852 1.00 78.97 C ATOM 183 CG LEU B 551 132.208 153.784 7.009 1.00 72.04 C ATOM 184 CD1 LEU B 551 133.047 155.017 7.347 1.00 65.88 C ATOM 185 CD2 LEU B 551 130.753 154.165 6.663 1.00 64.28 C ATOM 186 H LEU B 551 133.005 150.964 7.243 1.00 0.00 H ATOM 187 N LEU B 552 133.926 151.024 3.911 1.00 83.54 N ATOM 188 CA LEU B 552 134.542 150.665 2.636 1.00 87.47 C ATOM 189 C LEU B 552 133.767 149.587 1.896 1.00 86.86 C ATOM 190 O LEU B 552 133.422 149.749 0.726 1.00 95.74 O ATOM 191 CB LEU B 552 135.982 150.199 2.862 1.00 82.86 C ATOM 192 CG LEU B 552 136.970 151.345 3.041 1.00 85.73 C ATOM 193 CD1 LEU B 552 138.273 150.801 3.560 1.00 88.34 C ATOM 194 CD2 LEU B 552 137.170 152.118 1.729 1.00 82.94 C ATOM 195 H LEU B 552 134.499 150.962 4.777 1.00 0.00 H ATOM 196 N SER B 553 133.501 148.492 2.592 1.00 77.00 N ATOM 197 CA SER B 553 132.767 147.384 2.018 1.00 84.76 C ATOM 198 C SER B 553 131.300 147.753 1.787 1.00 92.16 C ATOM 199 O SER B 553 130.754 147.495 0.718 1.00 98.87 O ATOM 200 CB SER B 553 132.868 146.161 2.928 1.00 86.20 C ATOM 201 OG SER B 553 132.302 146.436 4.196 1.00 89.21 O ATOM 202 HG SER B 553 132.787 147.190 4.616 1.00 0.00 H ATOM 203 H SER B 553 133.828 148.426 3.577 1.00 0.00 H ATOM 204 N GLU B 554 130.669 148.368 2.781 1.00 89.64 N ATOM 205 CA GLU B 554 129.228 148.604 2.727 1.00 93.65 C ATOM 206 C GLU B 554 128.813 149.632 1.676 1.00 94.74 C ATOM 207 O GLU B 554 127.734 149.543 1.092 1.00 93.38 O ATOM 208 CB GLU B 554 128.703 149.018 4.100 1.00100.68 C ATOM 209 CG GLU B 554 127.226 149.336 4.126 1.00110.88 C ATOM 210 CD GLU B 554 126.680 149.400 5.536 1.00116.13 C ATOM 211 OE1 GLU B 554 127.276 148.729 6.416 1.00118.88 O ATOM 212 OE2 GLU B 554 125.664 150.110 5.759 1.00109.05 O ATOM 213 H GLU B 554 131.209 148.687 3.611 1.00 0.00 H ATOM 214 N PHE B 555 129.667 150.616 1.438 1.00105.41 N ATOM 215 CA PHE B 555 129.370 151.608 0.416 1.00100.84 C ATOM 216 C PHE B 555 130.587 151.918 -0.432 1.00 97.34 C ATOM 217 O PHE B 555 131.093 153.038 -0.395 1.00 92.73 O ATOM 218 CB PHE B 555 128.918 152.891 1.067 1.00 98.28 C ATOM 219 CG PHE B 555 127.745 152.732 1.961 1.00103.40 C ATOM 220 CD1 PHE B 555 127.902 152.770 3.336 1.00101.96 C ATOM 221 CD2 PHE B 555 126.476 152.569 1.432 1.00109.84 C ATOM 222 CE1 PHE B 555 126.812 152.655 4.168 1.00107.24 C ATOM 223 CE2 PHE B 555 125.378 152.445 2.257 1.00112.46 C ATOM 224 CZ PHE B 555 125.543 152.484 3.627 1.00112.21 C ATOM 225 H PHE B 555 130.551 150.680 1.982 1.00 0.00 H ATOM 226 N PRO B 556 131.048 150.937 -1.220 1.00 98.09 N ATOM 227 CA PRO B 556 132.273 151.124 -2.003 1.00 95.18 C ATOM 228 C PRO B 556 132.144 152.188 -3.108 1.00 98.42 C ATOM 229 O PRO B 556 133.151 152.685 -3.599 1.00101.92 O ATOM 230 CB PRO B 556 132.519 149.735 -2.596 1.00 88.77 C ATOM 231 CG PRO B 556 131.179 149.108 -2.661 1.00 89.85 C ATOM 232 CD PRO B 556 130.402 149.641 -1.496 1.00 95.24 C ATOM 233 N ASP B 557 130.930 152.534 -3.504 1.00101.55 N ATOM 234 CA ASP B 557 130.771 153.616 -4.466 1.00109.43 C ATOM 235 C ASP B 557 130.864 154.984 -3.787 1.00106.04 C ATOM 236 O ASP B 557 131.173 155.985 -4.430 1.00104.85 O ATOM 237 CB ASP B 557 129.463 153.474 -5.247 1.00118.93 C ATOM 238 CG ASP B 557 128.379 152.771 -4.452 1.00126.13 C ATOM 239 OD1 ASP B 557 127.406 152.300 -5.081 1.00130.69 O ATOM 240 OD2 ASP B 557 128.501 152.681 -3.207 1.00125.36 O ATOM 241 H ASP B 557 130.096 152.037 -3.131 1.00 0.00 H ATOM 242 N LYS B 558 130.535 155.031 -2.500 1.00102.08 N ATOM 243 CA LYS B 558 130.700 156.242 -1.696 1.00 89.48 C ATOM 244 C LYS B 558 132.098 156.430 -1.092 1.00 80.84 C ATOM 245 O LYS B 558 132.542 157.561 -0.900 1.00 81.35 O ATOM 246 CB LYS B 558 129.628 156.317 -0.604 1.00 86.31 C ATOM 247 H LYS B 558 130.147 154.178 -2.049 1.00 0.00 H ATOM 248 N PHE B 559 132.777 155.329 -0.779 1.00 76.17 N ATOM 249 CA PHE B 559 134.047 155.394 -0.047 1.00 73.94 C ATOM 250 C PHE B 559 135.196 154.699 -0.734 1.00 74.06 C ATOM 251 O PHE B 559 135.018 153.658 -1.360 1.00 76.71 O ATOM 252 CB PHE B 559 133.911 154.779 1.350 1.00 74.71 C ATOM 253 CG PHE B 559 132.935 155.483 2.206 1.00 84.91 C ATOM 254 CD1 PHE B 559 131.659 154.977 2.381 1.00 92.23 C ATOM 255 CD2 PHE B 559 133.264 156.689 2.796 1.00 85.50 C ATOM 256 CE1 PHE B 559 130.732 155.655 3.155 1.00 89.32 C ATOM 257 CE2 PHE B 559 132.343 157.376 3.573 1.00 83.32 C ATOM 258 CZ PHE B 559 131.076 156.860 3.754 1.00 81.46 C ATOM 259 H PHE B 559 132.399 154.402 -1.060 1.00 0.00 H ATOM 260 N GLY B 560 136.394 155.236 -0.534 1.00 77.92 N ATOM 261 CA GLY B 560 137.589 154.617 -1.064 1.00 83.18 C ATOM 262 C GLY B 560 138.799 154.769 -0.170 1.00 80.62 C ATOM 263 O GLY B 560 138.800 155.545 0.785 1.00 81.51 O ATOM 264 H GLY B 560 136.474 156.117 0.013 1.00 0.00 H ATOM 265 N SER B 561 139.831 153.994 -0.477 1.00 74.60 N ATOM 266 CA SER B 561 141.113 154.107 0.205 1.00 68.30 C ATOM 267 C SER B 561 142.082 154.697 -0.793 1.00 68.87 C ATOM 268 O SER B 561 141.963 154.454 -1.986 1.00 73.44 O ATOM 269 CB SER B 561 141.625 152.729 0.605 1.00 61.99 C ATOM 270 OG SER B 561 141.923 151.986 -0.568 1.00 69.85 O ATOM 271 HG SER B 561 142.617 152.461 -1.091 1.00 0.00 H ATOM 272 H SER B 561 139.721 153.283 -1.228 1.00 0.00 H ATOM 273 N CYS B 562 143.021 155.501 -0.321 1.00 70.60 N ATOM 274 CA CYS B 562 144.083 155.971 -1.194 1.00 70.48 C ATOM 275 C CYS B 562 145.217 154.946 -1.319 1.00 71.92 C ATOM 276 O CYS B 562 145.380 154.068 -0.472 1.00 76.13 O ATOM 277 CB CYS B 562 144.606 157.320 -0.735 1.00 65.79 C ATOM 278 SG CYS B 562 145.392 157.223 0.828 1.00 88.01 S ATOM 279 H CYS B 562 142.999 155.797 0.676 1.00 0.00 H ATOM 280 N VAL B 563 145.972 155.060 -2.405 1.00 65.78 N ATOM 281 CA VAL B 563 147.150 154.249 -2.659 1.00 54.29 C ATOM 282 C VAL B 563 148.350 154.785 -1.868 1.00 52.11 C ATOM 283 O VAL B 563 148.778 155.913 -2.076 1.00 59.69 O ATOM 284 CB VAL B 563 147.450 154.224 -4.186 1.00 54.01 C ATOM 285 CG1 VAL B 563 148.645 153.335 -4.508 1.00 54.81 C ATOM 286 CG2 VAL B 563 146.228 153.736 -4.937 1.00 49.20 C ATOM 287 H VAL B 563 145.705 155.771 -3.115 1.00 0.00 H ATOM 288 N PRO B 564 148.873 153.987 -0.924 1.00 53.24 N ATOM 289 CA PRO B 564 150.060 154.400 -0.155 1.00 53.14 C ATOM 290 C PRO B 564 151.368 154.228 -0.931 1.00 54.38 C ATOM 291 O PRO B 564 151.407 153.512 -1.935 1.00 53.50 O ATOM 292 CB PRO B 564 150.030 153.500 1.097 1.00 46.58 C ATOM 293 CG PRO B 564 148.878 152.507 0.876 1.00 52.15 C ATOM 294 CD PRO B 564 148.424 152.630 -0.564 1.00 50.51 C ATOM 295 N HIS B 565 152.423 154.891 -0.468 1.00 57.69 N ATOM 296 CA HIS B 565 153.704 154.855 -1.150 1.00 59.32 C ATOM 297 C HIS B 565 154.606 153.964 -0.355 1.00 53.39 C ATOM 298 O HIS B 565 154.521 153.941 0.855 1.00 55.57 O ATOM 299 CB HIS B 565 154.330 156.241 -1.211 1.00 64.47 C ATOM 300 CG HIS B 565 153.612 157.190 -2.116 1.00 75.65 C ATOM 301 ND1 HIS B 565 154.229 157.810 -3.185 1.00 69.44 N ATOM 302 CD2 HIS B 565 152.334 157.636 -2.109 1.00 87.13 C ATOM 303 CE1 HIS B 565 153.361 158.591 -3.797 1.00 77.81 C ATOM 304 NE2 HIS B 565 152.202 158.504 -3.167 1.00 91.47 N ATOM 305 H HIS B 565 152.328 155.449 0.404 1.00 0.00 H ATOM 306 N THR B 566 155.481 153.234 -1.022 1.00 49.58 N ATOM 307 CA THR B 566 156.445 152.438 -0.300 1.00 53.61 C ATOM 308 C THR B 566 157.766 152.461 -1.051 1.00 61.29 C ATOM 309 O THR B 566 157.786 152.642 -2.269 1.00 61.53 O ATOM 310 CB THR B 566 155.951 150.993 -0.129 1.00 45.75 C ATOM 311 OG1 THR B 566 156.866 150.276 0.704 1.00 52.69 O ATOM 312 CG2 THR B 566 155.840 150.293 -1.466 1.00 41.62 C ATOM 313 HG1 THR B 566 156.919 150.716 1.589 1.00 0.00 H ATOM 314 H THR B 566 155.476 153.232 -2.062 1.00 0.00 H ATOM 315 N THR B 567 158.868 152.332 -0.319 1.00 65.70 N ATOM 316 CA THR B 567 160.171 152.160 -0.955 1.00 67.49 C ATOM 317 C THR B 567 160.514 150.690 -1.104 1.00 65.41 C ATOM 318 O THR B 567 161.503 150.353 -1.755 1.00 66.44 O ATOM 319 CB THR B 567 161.306 152.838 -0.173 1.00 63.15 C ATOM 320 OG1 THR B 567 161.299 152.361 1.177 1.00 63.43 O ATOM 321 CG2 THR B 567 161.135 154.350 -0.195 1.00 61.37 C ATOM 322 HG1 THR B 567 162.030 152.796 1.683 1.00 0.00 H ATOM 323 H THR B 567 158.801 152.354 0.719 1.00 0.00 H ATOM 324 N ARG B 568 159.718 149.814 -0.492 1.00 59.18 N ATOM 325 CA ARG B 568 159.938 148.383 -0.673 1.00 56.58 C ATOM 326 C ARG B 568 159.855 148.044 -2.155 1.00 59.89 C ATOM 327 O ARG B 568 158.928 148.478 -2.840 1.00 63.30 O ATOM 328 CB ARG B 568 158.931 147.513 0.094 1.00 55.22 C ATOM 329 CG ARG B 568 158.968 146.059 -0.420 1.00 44.11 C ATOM 330 CD ARG B 568 157.973 145.116 0.213 1.00 40.30 C ATOM 331 NE ARG B 568 156.573 145.405 -0.082 1.00 42.47 N ATOM 332 CZ ARG B 568 155.976 145.212 -1.255 1.00 43.88 C ATOM 333 NH1 ARG B 568 156.663 144.758 -2.295 1.00 49.01 N ATOM 334 NH2 ARG B 568 154.678 145.492 -1.390 1.00 40.13 N ATOM 335 HE ARG B 568 155.994 145.794 0.689 1.00 0.00 H ATOM 336 HH12 ARG B 568 156.187 144.610 -3.208 1.00 0.00 H ATOM 337 HH11 ARG B 568 157.677 144.550 -2.197 1.00 0.00 H ATOM 338 HH22 ARG B 568 154.206 145.343 -2.305 1.00 0.00 H ATOM 339 HH21 ARG B 568 154.138 145.859 -0.580 1.00 0.00 H ATOM 340 H ARG B 568 158.942 150.150 0.113 1.00 0.00 H ATOM 341 N PRO B 569 160.835 147.281 -2.659 1.00 61.58 N ATOM 342 CA PRO B 569 160.774 146.880 -4.065 1.00 48.94 C ATOM 343 C PRO B 569 159.539 146.038 -4.370 1.00 46.22 C ATOM 344 O PRO B 569 159.184 145.105 -3.631 1.00 58.62 O ATOM 345 CB PRO B 569 162.069 146.085 -4.267 1.00 43.36 C ATOM 346 CG PRO B 569 162.519 145.695 -2.883 1.00 48.85 C ATOM 347 CD PRO B 569 162.073 146.823 -2.002 1.00 60.37 C ATOM 348 N LYS B 570 158.897 146.406 -5.473 1.00 48.12 N ATOM 349 CA LYS B 570 157.665 145.807 -5.966 1.00 45.06 C ATOM 350 C LYS B 570 157.839 144.324 -6.235 1.00 49.11 C ATOM 351 O LYS B 570 158.778 143.924 -6.915 1.00 55.29 O ATOM 352 CB LYS B 570 157.244 146.517 -7.269 1.00 44.92 C ATOM 353 CG LYS B 570 155.908 146.045 -7.853 1.00 55.40 C ATOM 354 CD LYS B 570 155.653 146.569 -9.270 1.00 49.62 C ATOM 355 CE LYS B 570 156.094 145.539 -10.300 1.00 61.24 C ATOM 356 NZ LYS B 570 155.350 144.252 -10.205 1.00 68.56 N ATOM 357 HZ1 LYS B 570 155.498 143.836 -9.263 1.00 0.00 H ATOM 358 HZ2 LYS B 570 154.336 144.428 -10.352 1.00 0.00 H ATOM 359 HZ3 LYS B 570 155.699 143.597 -10.933 1.00 0.00 H ATOM 360 H LYS B 570 159.307 147.184 -6.029 1.00 0.00 H ATOM 361 N ARG B 571 156.932 143.516 -5.694 1.00 47.65 N ATOM 362 CA ARG B 571 156.850 142.108 -6.032 1.00 39.62 C ATOM 363 C ARG B 571 156.337 141.998 -7.455 1.00 59.28 C ATOM 364 O ARG B 571 155.633 142.869 -7.945 1.00 53.91 O ATOM 365 CB ARG B 571 155.930 141.377 -5.050 1.00 39.49 C ATOM 366 CG ARG B 571 156.548 141.204 -3.703 1.00 38.56 C ATOM 367 CD ARG B 571 155.571 140.790 -2.653 1.00 42.30 C ATOM 368 NE ARG B 571 156.077 141.167 -1.336 1.00 47.02 N ATOM 369 CZ ARG B 571 155.415 141.897 -0.440 1.00 52.40 C ATOM 370 NH1 ARG B 571 154.162 142.307 -0.677 1.00 53.36 N ATOM 371 NH2 ARG B 571 156.007 142.203 0.712 1.00 50.71 N ATOM 372 HE ARG B 571 157.030 140.840 -1.077 1.00 0.00 H ATOM 373 HH12 ARG B 571 153.658 142.876 0.033 1.00 0.00 H ATOM 374 HH11 ARG B 571 153.693 142.056 -1.571 1.00 0.00 H ATOM 375 HH22 ARG B 571 155.502 142.772 1.421 1.00 0.00 H ATOM 376 HH21 ARG B 571 156.974 141.873 0.903 1.00 0.00 H ATOM 377 H ARG B 571 156.258 143.907 -5.005 1.00 0.00 H ATOM 378 N GLU B 572 156.696 140.920 -8.126 1.00 63.74 N ATOM 379 CA GLU B 572 156.402 140.811 -9.538 1.00 59.07 C ATOM 380 C GLU B 572 154.900 140.910 -9.840 1.00 58.00 C ATOM 381 O GLU B 572 154.504 141.543 -10.815 1.00 64.53 O ATOM 382 CB GLU B 572 157.021 139.526 -10.089 1.00 61.74 C ATOM 383 CG GLU B 572 156.649 139.218 -11.511 1.00 77.84 C ATOM 384 CD GLU B 572 155.414 138.350 -11.586 1.00 97.68 C ATOM 385 OE1 GLU B 572 155.312 137.399 -10.777 1.00 97.50 O ATOM 386 OE2 GLU B 572 154.538 138.631 -12.434 1.00111.26 O ATOM 387 H GLU B 572 157.192 140.147 -7.638 1.00 0.00 H ATOM 388 N TYR B 573 154.065 140.312 -8.992 1.00 51.62 N ATOM 389 CA TYR B 573 152.625 140.255 -9.270 1.00 51.98 C ATOM 390 C TYR B 573 151.900 141.544 -8.883 1.00 56.37 C ATOM 391 O TYR B 573 150.698 141.687 -9.139 1.00 61.16 O ATOM 392 CB TYR B 573 151.965 139.076 -8.564 1.00 46.46 C ATOM 393 CG TYR B 573 152.265 138.961 -7.084 1.00 51.66 C ATOM 394 CD1 TYR B 573 153.116 137.976 -6.602 1.00 47.10 C ATOM 395 CD2 TYR B 573 151.687 139.828 -6.167 1.00 47.03 C ATOM 396 CE1 TYR B 573 153.378 137.865 -5.240 1.00 50.28 C ATOM 397 CE2 TYR B 573 151.957 139.736 -4.820 1.00 45.36 C ATOM 398 CZ TYR B 573 152.796 138.753 -4.355 1.00 48.00 C ATOM 399 OH TYR B 573 153.049 138.662 -3.002 1.00 49.94 O ATOM 400 HH TYR B 573 153.668 137.908 -2.833 1.00 0.00 H ATOM 401 H TYR B 573 154.438 139.880 -8.122 1.00 0.00 H ATOM 402 N GLU B 574 152.626 142.463 -8.250 1.00 49.08 N ATOM 403 CA GLU B 574 152.040 143.704 -7.768 1.00 52.53 C ATOM 404 C GLU B 574 151.904 144.707 -8.882 1.00 58.53 C ATOM 405 O GLU B 574 152.684 144.677 -9.819 1.00 70.37 O ATOM 406 CB GLU B 574 152.877 144.296 -6.628 1.00 50.65 C ATOM 407 CG GLU B 574 152.628 143.582 -5.308 1.00 51.61 C ATOM 408 CD GLU B 574 153.518 144.091 -4.202 1.00 60.38 C ATOM 409 OE1 GLU B 574 154.725 144.314 -4.458 1.00 66.85 O ATOM 410 OE2 GLU B 574 153.002 144.279 -3.077 1.00 57.44 O ATOM 411 H GLU B 574 153.640 142.289 -8.096 1.00 0.00 H ATOM 412 N ILE B 575 150.926 145.604 -8.758 1.00 58.71 N ATOM 413 CA ILE B 575 150.693 146.645 -9.757 1.00 62.10 C ATOM 414 C ILE B 575 150.947 148.052 -9.229 1.00 64.96 C ATOM 415 O ILE B 575 150.267 148.521 -8.312 1.00 67.01 O ATOM 416 CB ILE B 575 149.269 146.573 -10.289 1.00 63.84 C ATOM 417 CG1 ILE B 575 149.169 145.455 -11.316 1.00 69.38 C ATOM 418 CG2 ILE B 575 148.869 147.882 -10.924 1.00 59.93 C ATOM 419 CD1 ILE B 575 147.797 144.837 -11.390 1.00 74.22 C ATOM 420 H ILE B 575 150.308 145.562 -7.923 1.00 0.00 H ATOM 421 N ASP B 576 151.932 148.725 -9.813 1.00 72.80 N ATOM 422 CA ASP B 576 152.257 150.080 -9.403 1.00 73.97 C ATOM 423 C ASP B 576 151.077 151.004 -9.677 1.00 73.39 C ATOM 424 O ASP B 576 150.579 151.103 -10.806 1.00 73.33 O ATOM 425 CB ASP B 576 153.509 150.597 -10.114 1.00 75.18 C ATOM 426 CG ASP B 576 154.129 151.792 -9.399 1.00 85.62 C ATOM 427 OD1 ASP B 576 153.860 151.967 -8.190 1.00 93.42 O ATOM 428 OD2 ASP B 576 154.889 152.552 -10.028 1.00 84.83 O ATOM 429 H ASP B 576 152.479 148.275 -10.575 1.00 0.00 H ATOM 430 N GLY B 577 150.636 151.681 -8.627 1.00 67.63 N ATOM 431 CA GLY B 577 149.542 152.611 -8.748 1.00 64.33 C ATOM 432 C GLY B 577 148.225 152.039 -8.277 1.00 69.44 C ATOM 433 O GLY B 577 147.256 152.775 -8.162 1.00 82.60 O ATOM 434 H GLY B 577 151.087 151.539 -7.701 1.00 0.00 H ATOM 435 N ARG B 578 148.174 150.737 -8.019 1.00 70.32 N ATOM 436 CA ARG B 578 146.950 150.107 -7.505 1.00 73.87 C ATOM 437 C ARG B 578 147.193 149.568 -6.083 1.00 75.29 C ATOM 438 O ARG B 578 146.542 149.978 -5.122 1.00 78.31 O ATOM 439 CB ARG B 578 146.441 148.990 -8.442 1.00 73.47 C ATOM 440 CG ARG B 578 145.219 148.248 -7.890 1.00 82.13 C ATOM 441 CD ARG B 578 144.924 146.910 -8.581 1.00 95.34 C ATOM 442 NE ARG B 578 145.998 145.915 -8.471 1.00 99.15 N ATOM 443 CZ ARG B 578 145.803 144.595 -8.433 1.00 99.18 C ATOM 444 NH1 ARG B 578 144.568 144.100 -8.469 1.00105.52 N ATOM 445 NH2 ARG B 578 146.841 143.765 -8.345 1.00 91.12 N ATOM 446 HE ARG B 578 146.977 146.262 -8.419 1.00 0.00 H ATOM 447 HH12 ARG B 578 144.419 143.071 -8.439 1.00 0.00 H ATOM 448 HH11 ARG B 578 143.752 144.742 -8.527 1.00 0.00 H ATOM 449 HH22 ARG B 578 146.684 142.737 -8.316 1.00 0.00 H ATOM 450 HH21 ARG B 578 147.808 144.145 -8.306 1.00 0.00 H ATOM 451 H ARG B 578 149.018 150.152 -8.184 1.00 0.00 H ATOM 452 N ASP B 579 148.130 148.631 -5.969 1.00 62.97 N ATOM 453 CA ASP B 579 148.525 148.082 -4.690 1.00 58.81 C ATOM 454 C ASP B 579 149.282 149.092 -3.833 1.00 54.03 C ATOM 455 O ASP B 579 148.918 149.330 -2.678 1.00 51.59 O ATOM 456 CB ASP B 579 149.395 146.859 -4.925 1.00 64.73 C ATOM 457 CG ASP B 579 148.686 145.810 -5.721 1.00 69.20 C ATOM 458 OD1 ASP B 579 149.362 145.030 -6.417 1.00 77.53 O ATOM 459 OD2 ASP B 579 147.441 145.774 -5.653 1.00 71.41 O ATOM 460 H ASP B 579 148.596 148.280 -6.830 1.00 0.00 H ATOM 461 N TYR B 580 150.343 149.661 -4.400 1.00 47.30 N ATOM 462 CA TYR B 580 151.103 150.727 -3.760 1.00 48.25 C ATOM 463 C TYR B 580 151.651 151.599 -4.879 1.00 55.60 C ATOM 464 O TYR B 580 151.624 151.206 -6.055 1.00 56.24 O ATOM 465 CB TYR B 580 152.311 150.188 -3.003 1.00 49.59 C ATOM 466 CG TYR B 580 152.074 149.480 -1.686 1.00 50.25 C ATOM 467 CD1 TYR B 580 151.931 148.110 -1.627 1.00 45.12 C ATOM 468 CD2 TYR B 580 152.065 150.182 -0.489 1.00 56.56 C ATOM 469 CE1 TYR B 580 151.736 147.465 -0.413 1.00 47.04 C ATOM 470 CE2 TYR B 580 151.884 149.541 0.730 1.00 51.37 C ATOM 471 CZ TYR B 580 151.718 148.187 0.763 1.00 49.07 C ATOM 472 OH TYR B 580 151.529 147.541 1.973 1.00 54.31 O ATOM 473 HH TYR B 580 151.427 146.569 1.814 1.00 0.00 H ATOM 474 H TYR B 580 150.642 149.331 -5.340 1.00 0.00 H ATOM 475 N HIS B 581 152.123 152.788 -4.514 1.00 53.37 N ATOM 476 CA HIS B 581 153.016 153.554 -5.365 1.00 52.67 C ATOM 477 C HIS B 581 154.421 153.179 -4.933 1.00 62.53 C ATOM 478 O HIS B 581 154.790 153.335 -3.761 1.00 66.19 O ATOM 479 CB HIS B 581 152.806 155.050 -5.180 1.00 60.56 C ATOM 480 CG HIS B 581 151.631 155.589 -5.930 1.00 61.59 C ATOM 481 ND1 HIS B 581 150.446 155.938 -5.311 1.00 57.17 N ATOM 482 CD2 HIS B 581 151.447 155.832 -7.253 1.00 66.09 C ATOM 483 CE1 HIS B 581 149.589 156.369 -6.218 1.00 69.07 C ATOM 484 NE2 HIS B 581 150.175 156.319 -7.405 1.00 71.20 N ATOM 485 H HIS B 581 151.844 153.180 -3.592 1.00 0.00 H ATOM 486 N PHE B 582 155.198 152.651 -5.872 1.00 61.62 N ATOM 487 CA PHE B 582 156.505 152.115 -5.539 1.00 50.38 C ATOM 488 C PHE B 582 157.598 153.120 -5.872 1.00 56.41 C ATOM 489 O PHE B 582 157.815 153.470 -7.035 1.00 61.14 O ATOM 490 CB PHE B 582 156.726 150.776 -6.251 1.00 48.70 C ATOM 491 CG PHE B 582 155.790 149.663 -5.783 1.00 50.22 C ATOM 492 CD1 PHE B 582 154.625 149.352 -6.497 1.00 45.24 C ATOM 493 CD2 PHE B 582 156.072 148.939 -4.628 1.00 47.46 C ATOM 494 CE1 PHE B 582 153.765 148.343 -6.066 1.00 43.39 C ATOM 495 CE2 PHE B 582 155.219 147.911 -4.194 1.00 46.15 C ATOM 496 CZ PHE B 582 154.066 147.610 -4.919 1.00 43.72 C ATOM 497 H PHE B 582 154.866 152.621 -6.857 1.00 0.00 H ATOM 498 N VAL B 583 158.275 153.603 -4.839 1.00 65.85 N ATOM 499 CA VAL B 583 159.345 154.578 -5.019 1.00 72.02 C ATOM 500 C VAL B 583 160.688 153.892 -5.267 1.00 71.67 C ATOM 501 O VAL B 583 161.085 152.983 -4.531 1.00 74.05 O ATOM 502 CB VAL B 583 159.458 155.505 -3.788 1.00 72.50 C ATOM 503 CG1 VAL B 583 160.485 156.586 -4.022 1.00 84.97 C ATOM 504 CG2 VAL B 583 158.135 156.131 -3.500 1.00 62.23 C ATOM 505 H VAL B 583 158.038 153.280 -3.879 1.00 0.00 H ATOM 506 N SER B 584 161.375 154.337 -6.313 1.00 74.70 N ATOM 507 CA SER B 584 162.705 153.837 -6.659 1.00 79.02 C ATOM 508 C SER B 584 163.731 154.012 -5.545 1.00 83.44 C ATOM 509 O SER B 584 164.621 153.195 -5.373 1.00 89.70 O ATOM 510 CB SER B 584 163.220 154.572 -7.893 1.00 84.88 C ATOM 511 OG SER B 584 163.180 155.977 -7.673 1.00 97.64 O ATOM 512 HG SER B 584 163.516 156.446 -8.478 1.00 0.00 H ATOM 513 H SER B 584 160.949 155.073 -6.912 1.00 0.00 H ATOM 514 N SER B 585 163.612 155.092 -4.794 1.00 87.55 N ATOM 515 CA SER B 585 164.711 155.514 -3.953 1.00 89.67 C ATOM 516 C SER B 585 164.242 155.976 -2.592 1.00 89.51 C ATOM 517 O SER B 585 163.394 156.864 -2.475 1.00 98.48 O ATOM 518 CB SER B 585 165.484 156.639 -4.653 1.00 92.10 C ATOM 519 OG SER B 585 166.318 157.322 -3.743 1.00 94.72 O ATOM 520 HG SER B 585 165.765 157.717 -3.023 1.00 0.00 H ATOM 521 H SER B 585 162.728 155.639 -4.807 1.00 0.00 H ATOM 522 N ARG B 586 164.806 155.377 -1.557 1.00 77.03 N ATOM 523 CA ARG B 586 164.532 155.839 -0.209 1.00 78.28 C ATOM 524 C ARG B 586 164.930 157.325 -0.009 1.00 90.16 C ATOM 525 O ARG B 586 164.202 158.089 0.635 1.00 84.63 O ATOM 526 CB ARG B 586 165.242 154.942 0.793 1.00 82.01 C ATOM 527 CG ARG B 586 164.824 155.190 2.213 1.00 89.74 C ATOM 528 CD ARG B 586 165.877 154.686 3.181 1.00 98.25 C ATOM 529 NE ARG B 586 165.522 154.996 4.564 1.00100.55 N ATOM 530 CZ ARG B 586 164.808 154.191 5.345 1.00 90.15 C ATOM 531 NH1 ARG B 586 164.382 153.019 4.871 1.00 86.90 N ATOM 532 NH2 ARG B 586 164.519 154.559 6.593 1.00 76.86 N ATOM 533 HE ARG B 586 165.847 155.900 4.961 1.00 0.00 H ATOM 534 HH12 ARG B 586 163.823 152.385 5.477 1.00 0.00 H ATOM 535 HH11 ARG B 586 164.609 152.739 3.895 1.00 0.00 H ATOM 536 HH22 ARG B 586 163.961 153.930 7.205 1.00 0.00 H ATOM 537 HH21 ARG B 586 164.852 155.475 6.955 1.00 0.00 H ATOM 538 H ARG B 586 165.448 154.573 -1.709 1.00 0.00 H ATOM 539 N GLU B 587 166.077 157.730 -0.560 1.00 92.87 N ATOM 540 CA GLU B 587 166.478 159.138 -0.520 1.00 98.90 C ATOM 541 C GLU B 587 165.426 160.016 -1.212 1.00 98.38 C ATOM 542 O GLU B 587 165.145 161.135 -0.768 1.00 87.10 O ATOM 543 CB GLU B 587 167.859 159.343 -1.167 1.00101.94 C ATOM 544 H GLU B 587 166.695 157.035 -1.025 1.00 0.00 H ATOM 545 N LYS B 588 164.848 159.487 -2.295 1.00102.50 N ATOM 546 CA LYS B 588 163.810 160.178 -3.057 1.00102.77 C ATOM 547 C LYS B 588 162.646 160.486 -2.135 1.00101.12 C ATOM 548 O LYS B 588 162.288 161.646 -1.944 1.00107.24 O ATOM 549 CB LYS B 588 163.354 159.312 -4.245 1.00101.22 C ATOM 550 CG LYS B 588 161.970 159.608 -4.812 1.00100.91 C ATOM 551 CD LYS B 588 161.937 160.871 -5.652 1.00107.90 C ATOM 552 CE LYS B 588 160.569 161.036 -6.318 1.00108.98 C ATOM 553 NZ LYS B 588 160.475 162.248 -7.199 1.00113.49 N ATOM 554 HZ1 LYS B 588 160.651 163.102 -6.632 1.00 0.00 H ATOM 555 HZ2 LYS B 588 161.185 162.181 -7.956 1.00 0.00 H ATOM 556 HZ3 LYS B 588 159.524 162.298 -7.617 1.00 0.00 H ATOM 557 H LYS B 588 165.150 158.543 -2.609 1.00 0.00 H ATOM 558 N MET B 589 162.088 159.447 -1.526 1.00 89.60 N ATOM 559 CA MET B 589 160.916 159.617 -0.681 1.00 80.64 C ATOM 560 C MET B 589 161.182 160.415 0.599 1.00 85.02 C ATOM 561 O MET B 589 160.309 161.134 1.081 1.00 91.76 O ATOM 562 CB MET B 589 160.304 158.265 -0.347 1.00 70.89 C ATOM 563 CG MET B 589 159.101 158.361 0.565 1.00 67.82 C ATOM 564 SD MET B 589 158.041 156.922 0.420 1.00 68.55 S ATOM 565 CE MET B 589 157.079 157.026 1.925 1.00 66.10 C ATOM 566 H MET B 589 162.494 158.498 -1.655 1.00 0.00 H ATOM 567 N GLU B 590 162.382 160.294 1.151 1.00 85.50 N ATOM 568 CA GLU B 590 162.727 161.073 2.330 1.00 92.06 C ATOM 569 C GLU B 590 162.655 162.553 2.006 1.00 93.74 C ATOM 570 O GLU B 590 162.321 163.376 2.862 1.00 89.74 O ATOM 571 CB GLU B 590 164.131 160.732 2.807 1.00102.52 C ATOM 572 CG GLU B 590 164.222 159.499 3.681 1.00105.20 C ATOM 573 CD GLU B 590 165.649 159.210 4.114 1.00117.35 C ATOM 574 OE1 GLU B 590 166.228 160.001 4.898 1.00119.34 O ATOM 575 OE2 GLU B 590 166.198 158.190 3.653 1.00123.56 O ATOM 576 H GLU B 590 163.078 159.640 0.740 1.00 0.00 H ATOM 577 N LYS B 591 162.971 162.875 0.756 1.00 97.81 N ATOM 578 CA LYS B 591 162.965 164.250 0.284 1.00107.31 C ATOM 579 C LYS B 591 161.547 164.793 0.247 1.00109.37 C ATOM 580 O LYS B 591 161.282 165.909 0.687 1.00115.04 O ATOM 581 CB LYS B 591 163.583 164.330 -1.108 1.00111.14 C ATOM 582 CG LYS B 591 163.133 165.527 -1.909 1.00125.09 C ATOM 583 CD LYS B 591 163.868 165.601 -3.231 1.00135.21 C ATOM 584 CE LYS B 591 165.373 165.614 -3.017 1.00140.67 C ATOM 585 NZ LYS B 591 166.122 165.693 -4.301 1.00143.95 N ATOM 586 HZ1 LYS B 591 165.886 164.869 -4.890 1.00 0.00 H ATOM 587 HZ2 LYS B 591 165.858 166.566 -4.802 1.00 0.00 H ATOM 588 HZ3 LYS B 591 167.143 165.699 -4.105 1.00 0.00 H ATOM 589 H LYS B 591 163.231 162.117 0.093 1.00 0.00 H ATOM 590 N ASP B 592 160.633 163.992 -0.280 1.00103.22 N ATOM 591 CA ASP B 592 159.252 164.414 -0.410 1.00 98.89 C ATOM 592 C ASP B 592 158.615 164.587 0.952 1.00 87.91 C ATOM 593 O ASP B 592 157.853 165.523 1.165 1.00 87.00 O ATOM 594 CB ASP B 592 158.489 163.394 -1.230 1.00 99.49 C ATOM 595 CG ASP B 592 159.163 163.117 -2.547 1.00106.97 C ATOM 596 OD1 ASP B 592 159.722 164.076 -3.132 1.00106.13 O ATOM 597 OD2 ASP B 592 159.155 161.941 -2.977 1.00111.95 O ATOM 598 H ASP B 592 160.911 163.044 -0.606 1.00 0.00 H ATOM 599 N ILE B 593 158.937 163.683 1.868 1.00 72.97 N ATOM 600 CA ILE B 593 158.508 163.814 3.251 1.00 71.18 C ATOM 601 C ILE B 593 159.035 165.119 3.817 1.00 91.88 C ATOM 602 O ILE B 593 158.299 165.885 4.444 1.00 99.65 O ATOM 603 CB ILE B 593 159.081 162.686 4.105 1.00 65.87 C ATOM 604 CG1 ILE B 593 158.462 161.346 3.706 1.00 62.29 C ATOM 605 CG2 ILE B 593 158.835 162.964 5.572 1.00 69.88 C ATOM 606 CD1 ILE B 593 158.979 160.185 4.495 1.00 60.00 C ATOM 607 H ILE B 593 159.510 162.861 1.590 1.00 0.00 H ATOM 608 N GLN B 594 160.328 165.348 3.602 1.00100.75 N ATOM 609 CA GLN B 594 160.962 166.612 3.923 1.00105.54 C ATOM 610 C GLN B 594 160.174 167.746 3.257 1.00116.90 C ATOM 611 O GLN B 594 159.810 168.734 3.908 1.00122.31 O ATOM 612 CB GLN B 594 162.414 166.612 3.433 1.00109.45 C ATOM 613 CG GLN B 594 162.900 167.991 2.976 1.00128.51 C ATOM 614 CD GLN B 594 164.076 167.945 2.006 1.00135.08 C ATOM 615 OE1 GLN B 594 165.234 168.078 2.411 1.00137.88 O ATOM 616 NE2 GLN B 594 163.779 167.780 0.715 1.00133.10 N ATOM 617 HE22 GLN B 594 162.788 167.672 0.419 1.00 0.00 H ATOM 618 HE21 GLN B 594 164.539 167.760 0.005 1.00 0.00 H ATOM 619 H GLN B 594 160.907 164.590 3.187 1.00 0.00 H ATOM 620 N ALA B 595 159.891 167.576 1.964 1.00111.28 N ATOM 621 CA ALA B 595 159.183 168.575 1.149 1.00102.00 C ATOM 622 C ALA B 595 157.691 168.701 1.466 1.00100.33 C ATOM 623 O ALA B 595 156.986 169.452 0.796 1.00 99.17 O ATOM 624 CB ALA B 595 159.399 168.329 -0.348 1.00 94.77 C ATOM 625 H ALA B 595 160.187 166.689 1.508 1.00 0.00 H ATOM 626 N HIS B 596 157.205 167.898 2.416 1.00107.46 N ATOM 627 CA HIS B 596 155.845 168.047 2.956 1.00116.49 C ATOM 628 C HIS B 596 154.744 167.390 2.125 1.00118.11 C ATOM 629 O HIS B 596 153.565 167.554 2.431 1.00117.73 O ATOM 630 CB HIS B 596 155.503 169.508 3.300 1.00123.27 C ATOM 631 CG HIS B 596 156.204 170.022 4.518 1.00128.36 C ATOM 632 ND1 HIS B 596 157.269 169.359 5.103 1.00132.63 N ATOM 633 CD2 HIS B 596 155.993 171.123 5.274 1.00126.86 C ATOM 634 CE1 HIS B 596 157.680 170.036 6.156 1.00132.17 C ATOM 635 NE2 HIS B 596 156.921 171.112 6.286 1.00129.07 N ATOM 636 H HIS B 596 157.811 167.139 2.788 1.00 0.00 H ATOM 637 N LYS B 597 155.137 166.718 1.041 1.00116.37 N ATOM 638 CA LYS B 597 154.203 166.050 0.119 1.00105.59 C ATOM 639 C LYS B 597 153.362 164.918 0.735 1.00 90.27 C ATOM 640 O LYS B 597 152.371 164.486 0.131 1.00 82.12 O ATOM 641 CB LYS B 597 154.949 165.538 -1.122 1.00103.40 C ATOM 642 CG LYS B 597 156.069 166.466 -1.578 1.00114.69 C ATOM 643 CD LYS B 597 156.472 166.211 -3.018 1.00121.21 C ATOM 644 CE LYS B 597 155.485 166.848 -3.981 1.00127.95 C ATOM 645 NZ LYS B 597 155.910 166.722 -5.401 1.00131.87 N ATOM 646 HZ1 LYS B 597 156.830 167.190 -5.529 1.00 0.00 H ATOM 647 HZ2 LYS B 597 155.994 165.715 -5.648 1.00 0.00 H ATOM 648 HZ3 LYS B 597 155.202 167.173 -6.015 1.00 0.00 H ATOM 649 H LYS B 597 156.155 166.663 0.837 1.00 0.00 H ATOM 650 N PHE B 598 153.752 164.462 1.929 1.00 84.47 N ATOM 651 CA PHE B 598 153.042 163.394 2.649 1.00 77.62 C ATOM 652 C PHE B 598 152.345 163.876 3.910 1.00 74.86 C ATOM 653 O PHE B 598 152.917 164.654 4.678 1.00 81.69 O ATOM 654 CB PHE B 598 154.015 162.280 3.051 1.00 70.62 C ATOM 655 CG PHE B 598 154.458 161.451 1.908 1.00 71.36 C ATOM 656 CD1 PHE B 598 155.563 161.829 1.154 1.00 79.20 C ATOM 657 CD2 PHE B 598 153.748 160.313 1.554 1.00 61.91 C ATOM 658 CE1 PHE B 598 155.968 161.074 0.070 1.00 79.73 C ATOM 659 CE2 PHE B 598 154.137 159.552 0.468 1.00 64.78 C ATOM 660 CZ PHE B 598 155.254 159.930 -0.278 1.00 71.86 C ATOM 661 H PHE B 598 154.596 164.881 2.369 1.00 0.00 H ATOM 662 N ILE B 599 151.119 163.407 4.132 1.00 63.93 N ATOM 663 CA ILE B 599 150.430 163.670 5.399 1.00 74.08 C ATOM 664 C ILE B 599 150.775 162.673 6.524 1.00 83.32 C ATOM 665 O ILE B 599 150.559 162.962 7.706 1.00 92.54 O ATOM 666 CB ILE B 599 148.898 163.711 5.226 1.00 73.84 C ATOM 667 CG1 ILE B 599 148.354 162.293 5.081 1.00 76.53 C ATOM 668 CG2 ILE B 599 148.497 164.606 4.044 1.00 67.73 C ATOM 669 CD1 ILE B 599 146.975 162.241 4.497 1.00 85.25 C ATOM 670 H ILE B 599 150.643 162.846 3.396 1.00 0.00 H ATOM 671 N GLU B 600 151.274 161.495 6.156 1.00 78.94 N ATOM 672 CA GLU B 600 151.698 160.504 7.133 1.00 78.50 C ATOM 673 C GLU B 600 152.815 159.661 6.536 1.00 76.67 C ATOM 674 O GLU B 600 152.765 159.332 5.353 1.00 76.80 O ATOM 675 CB GLU B 600 150.522 159.595 7.512 1.00 88.26 C ATOM 676 CG GLU B 600 150.706 158.789 8.798 1.00 95.52 C ATOM 677 CD GLU B 600 150.762 159.672 10.058 1.00108.34 C ATOM 678 OE1 GLU B 600 151.745 160.428 10.244 1.00116.18 O ATOM 679 OE2 GLU B 600 149.819 159.606 10.875 1.00107.96 O ATOM 680 H GLU B 600 151.363 161.277 5.143 1.00 0.00 H ATOM 681 N ALA B 601 153.809 159.311 7.351 1.00 69.98 N ATOM 682 CA ALA B 601 154.846 158.368 6.940 1.00 62.46 C ATOM 683 C ALA B 601 155.460 157.673 8.138 1.00 64.63 C ATOM 684 O ALA B 601 155.451 158.201 9.249 1.00 73.81 O ATOM 685 CB ALA B 601 155.931 159.057 6.136 1.00 54.42 C ATOM 686 H ALA B 601 153.848 159.720 8.306 1.00 0.00 H ATOM 687 N GLY B 602 155.999 156.486 7.903 1.00 52.20 N ATOM 688 CA GLY B 602 156.700 155.760 8.933 1.00 52.40 C ATOM 689 C GLY B 602 157.541 154.678 8.296 1.00 59.69 C ATOM 690 O GLY B 602 157.515 154.473 7.080 1.00 62.86 O ATOM 691 H GLY B 602 155.915 156.068 6.954 1.00 0.00 H ATOM 692 N GLN B 603 158.286 153.968 9.121 1.00 56.68 N ATOM 693 CA GLN B 603 159.097 152.885 8.617 1.00 52.23 C ATOM 694 C GLN B 603 158.540 151.533 9.068 1.00 54.42 C ATOM 695 O GLN B 603 158.071 151.361 10.197 1.00 51.71 O ATOM 696 CB GLN B 603 160.524 153.083 9.120 1.00 50.31 C ATOM 697 CG GLN B 603 161.508 152.070 8.664 1.00 59.24 C ATOM 698 CD GLN B 603 162.850 152.320 9.295 1.00 64.28 C ATOM 699 OE1 GLN B 603 163.379 153.435 9.222 1.00 73.62 O ATOM 700 NE2 GLN B 603 163.404 151.300 9.951 1.00 55.65 N ATOM 701 HE22 GLN B 603 162.921 150.380 9.985 1.00 0.00 H ATOM 702 HE21 GLN B 603 164.319 151.425 10.429 1.00 0.00 H ATOM 703 H GLN B 603 158.289 154.189 10.137 1.00 0.00 H ATOM 704 N TYR B 604 158.554 150.569 8.167 1.00 63.78 N ATOM 705 CA TYR B 604 158.158 149.216 8.531 1.00 58.02 C ATOM 706 C TYR B 604 159.028 148.273 7.761 1.00 52.22 C ATOM 707 O TYR B 604 159.255 148.465 6.563 1.00 50.36 O ATOM 708 CB TYR B 604 156.690 148.923 8.209 1.00 53.04 C ATOM 709 CG TYR B 604 156.366 147.432 8.234 1.00 55.87 C ATOM 710 CD1 TYR B 604 156.317 146.720 9.433 1.00 45.44 C ATOM 711 CD2 TYR B 604 156.113 146.738 7.059 1.00 61.55 C ATOM 712 CE1 TYR B 604 156.016 145.365 9.454 1.00 48.28 C ATOM 713 CE2 TYR B 604 155.820 145.384 7.073 1.00 61.91 C ATOM 714 CZ TYR B 604 155.777 144.700 8.271 1.00 58.94 C ATOM 715 OH TYR B 604 155.486 143.350 8.265 1.00 57.47 O ATOM 716 HH TYR B 604 155.493 143.008 9.194 1.00 0.00 H ATOM 717 H TYR B 604 158.849 150.777 7.192 1.00 0.00 H ATOM 718 N ASN B 605 159.526 147.260 8.458 1.00 51.88 N ATOM 719 CA ASN B 605 160.392 146.264 7.848 1.00 53.99 C ATOM 720 C ASN B 605 161.539 146.930 7.111 1.00 53.30 C ATOM 721 O ASN B 605 161.948 146.475 6.050 1.00 57.54 O ATOM 722 CB ASN B 605 159.578 145.359 6.907 1.00 57.47 C ATOM 723 CG ASN B 605 160.375 144.169 6.405 1.00 53.29 C ATOM 724 OD1 ASN B 605 161.273 143.680 7.084 1.00 49.91 O ATOM 725 ND2 ASN B 605 160.074 143.729 5.185 1.00 59.27 N ATOM 726 HD22 ASN B 605 159.304 144.175 4.647 1.00 0.00 H ATOM 727 HD21 ASN B 605 160.609 142.939 4.770 1.00 0.00 H ATOM 728 H ASN B 605 159.291 147.176 9.468 1.00 0.00 H ATOM 729 N SER B 606 162.021 148.028 7.693 1.00 63.05 N ATOM 730 CA SER B 606 163.118 148.838 7.168 1.00 65.92 C ATOM 731 C SER B 606 162.782 149.708 5.949 1.00 76.84 C ATOM 732 O SER B 606 163.637 150.482 5.501 1.00 87.03 O ATOM 733 CB SER B 606 164.322 147.976 6.844 1.00 69.48 C ATOM 734 OG SER B 606 164.302 147.697 5.458 1.00 70.39 O ATOM 735 HG SER B 606 163.467 147.216 5.231 1.00 0.00 H ATOM 736 H SER B 606 161.584 148.331 8.587 1.00 0.00 H ATOM 737 N HIS B 607 161.558 149.613 5.421 1.00 74.27 N ATOM 738 CA HIS B 607 161.153 150.475 4.297 1.00 65.07 C ATOM 739 C HIS B 607 160.241 151.601 4.717 1.00 56.18 C ATOM 740 O HIS B 607 159.473 151.461 5.665 1.00 57.34 O ATOM 741 CB HIS B 607 160.432 149.670 3.235 1.00 65.75 C ATOM 742 CG HIS B 607 161.252 148.561 2.679 1.00 74.08 C ATOM 743 ND1 HIS B 607 160.961 147.232 2.909 1.00 65.85 N ATOM 744 CD2 HIS B 607 162.382 148.574 1.928 1.00 74.98 C ATOM 745 CE1 HIS B 607 161.857 146.476 2.303 1.00 61.10 C ATOM 746 NE2 HIS B 607 162.724 147.264 1.696 1.00 68.80 N ATOM 747 H HIS B 607 160.883 148.923 5.808 1.00 0.00 H ATOM 748 N LEU B 608 160.322 152.724 4.013 1.00 58.46 N ATOM 749 CA LEU B 608 159.323 153.780 4.183 1.00 58.36 C ATOM 750 C LEU B 608 157.967 153.398 3.592 1.00 54.89 C ATOM 751 O LEU B 608 157.870 152.570 2.672 1.00 49.38 O ATOM 752 CB LEU B 608 159.788 155.082 3.561 1.00 60.37 C ATOM 753 CG LEU B 608 161.097 155.625 4.142 1.00 67.87 C ATOM 754 CD1 LEU B 608 161.294 157.055 3.689 1.00 68.03 C ATOM 755 CD2 LEU B 608 161.100 155.526 5.661 1.00 66.85 C ATOM 756 H LEU B 608 161.101 152.854 3.336 1.00 0.00 H ATOM 757 N TYR B 609 156.929 154.003 4.158 1.00 47.03 N ATOM 758 CA TYR B 609 155.551 153.849 3.710 1.00 44.54 C ATOM 759 C TYR B 609 154.915 155.151 4.129 1.00 52.25 C ATOM 760 O TYR B 609 155.373 155.780 5.082 1.00 60.18 O ATOM 761 CB TYR B 609 154.827 152.700 4.417 1.00 40.78 C ATOM 762 CG TYR B 609 155.255 151.288 4.033 1.00 48.92 C ATOM 763 CD1 TYR B 609 154.515 150.546 3.117 1.00 44.56 C ATOM 764 CD2 TYR B 609 156.377 150.668 4.625 1.00 47.35 C ATOM 765 CE1 TYR B 609 154.882 149.228 2.780 1.00 47.42 C ATOM 766 CE2 TYR B 609 156.746 149.352 4.289 1.00 40.44 C ATOM 767 CZ TYR B 609 156.000 148.641 3.353 1.00 47.45 C ATOM 768 OH TYR B 609 156.338 147.328 2.995 1.00 51.84 O ATOM 769 HH TYR B 609 155.694 146.995 2.321 1.00 0.00 H ATOM 770 H TYR B 609 157.111 154.625 4.971 1.00 0.00 H ATOM 771 N GLY B 610 153.872 155.571 3.430 1.00 53.22 N ATOM 772 CA GLY B 610 153.269 156.839 3.740 1.00 56.38 C ATOM 773 C GLY B 610 152.055 157.143 2.898 1.00 62.23 C ATOM 774 O GLY B 610 151.790 156.460 1.916 1.00 63.35 O ATOM 775 H GLY B 610 153.490 154.986 2.660 1.00 0.00 H ATOM 776 N THR B 611 151.315 158.176 3.286 1.00 67.66 N ATOM 777 CA THR B 611 150.195 158.623 2.483 1.00 67.17 C ATOM 778 C THR B 611 150.439 160.019 1.899 1.00 68.04 C ATOM 779 O THR B 611 150.592 161.012 2.626 1.00 67.48 O ATOM 780 CB THR B 611 148.910 158.616 3.286 1.00 61.68 C ATOM 781 OG1 THR B 611 148.561 157.266 3.598 1.00 60.48 O ATOM 782 CG2 THR B 611 147.823 159.205 2.458 1.00 65.01 C ATOM 783 HG1 THR B 611 147.722 157.256 4.123 1.00 0.00 H ATOM 784 H THR B 611 151.542 158.668 4.174 1.00 0.00 H ATOM 785 N SER B 612 150.503 160.092 0.577 1.00 64.47 N ATOM 786 CA SER B 612 150.838 161.351 -0.043 1.00 58.77 C ATOM 787 C SER B 612 149.585 162.202 -0.083 1.00 71.72 C ATOM 788 O SER B 612 148.465 161.694 -0.063 1.00 61.37 O ATOM 789 CB SER B 612 151.421 161.143 -1.438 1.00 59.79 C ATOM 790 OG SER B 612 150.411 161.101 -2.438 1.00 66.88 O ATOM 791 HG SER B 612 149.791 160.353 -2.248 1.00 0.00 H ATOM 792 H SER B 612 150.314 159.252 -0.006 1.00 0.00 H ATOM 793 N VAL B 613 149.786 163.509 -0.112 1.00 77.75 N ATOM 794 CA VAL B 613 148.694 164.439 -0.258 1.00 81.37 C ATOM 795 C VAL B 613 148.012 164.186 -1.591 1.00 84.01 C ATOM 796 O VAL B 613 146.779 164.174 -1.696 1.00 79.24 O ATOM 797 CB VAL B 613 149.233 165.874 -0.253 1.00 83.58 C ATOM 798 CG1 VAL B 613 148.141 166.875 -0.653 1.00 83.16 C ATOM 799 CG2 VAL B 613 149.822 166.199 1.107 1.00 76.09 C ATOM 800 H VAL B 613 150.756 163.875 -0.027 1.00 0.00 H ATOM 801 N GLN B 614 148.835 163.984 -2.612 1.00 84.62 N ATOM 802 CA GLN B 614 148.330 163.757 -3.951 1.00 80.32 C ATOM 803 C GLN B 614 147.451 162.495 -4.067 1.00 81.80 C ATOM 804 O GLN B 614 146.410 162.525 -4.724 1.00 84.79 O ATOM 805 CB GLN B 614 149.483 163.718 -4.954 1.00 81.38 C ATOM 806 CG GLN B 614 149.010 163.932 -6.358 1.00 95.50 C ATOM 807 CD GLN B 614 147.859 164.937 -6.409 1.00112.69 C ATOM 808 OE1 GLN B 614 146.691 164.549 -6.535 1.00119.58 O ATOM 809 NE2 GLN B 614 148.183 166.235 -6.298 1.00110.28 N ATOM 810 HE22 GLN B 614 149.179 166.515 -6.194 1.00 0.00 H ATOM 811 HE21 GLN B 614 147.438 166.960 -6.316 1.00 0.00 H ATOM 812 H GLN B 614 149.862 163.989 -2.448 1.00 0.00 H ATOM 813 N SER B 615 147.842 161.391 -3.431 1.00 80.73 N ATOM 814 CA SER B 615 147.016 160.186 -3.547 1.00 80.08 C ATOM 815 C SER B 615 145.673 160.321 -2.816 1.00 77.32 C ATOM 816 O SER B 615 144.680 159.723 -3.221 1.00 76.00 O ATOM 817 CB SER B 615 147.770 158.902 -3.175 1.00 73.09 C ATOM 818 OG SER B 615 148.368 158.976 -1.897 1.00 80.64 O ATOM 819 HG SER B 615 149.015 159.726 -1.879 1.00 0.00 H ATOM 820 H SER B 615 148.714 161.385 -2.865 1.00 0.00 H ATOM 821 N VAL B 616 145.636 161.133 -1.765 1.00 75.12 N ATOM 822 CA VAL B 616 144.364 161.484 -1.133 1.00 69.53 C ATOM 823 C VAL B 616 143.541 162.372 -2.048 1.00 75.73 C ATOM 824 O VAL B 616 142.328 162.194 -2.192 1.00 81.82 O ATOM 825 CB VAL B 616 144.564 162.225 0.193 1.00 66.24 C ATOM 826 CG1 VAL B 616 143.228 162.641 0.764 1.00 67.37 C ATOM 827 CG2 VAL B 616 145.285 161.335 1.186 1.00 60.70 C ATOM 828 H VAL B 616 146.522 161.524 -1.387 1.00 0.00 H ATOM 829 N ARG B 617 144.198 163.332 -2.680 1.00 74.73 N ATOM 830 CA ARG B 617 143.474 164.251 -3.545 1.00 81.76 C ATOM 831 C ARG B 617 142.867 163.521 -4.747 1.00 85.37 C ATOM 832 O ARG B 617 141.842 163.924 -5.275 1.00 89.68 O ATOM 833 CB ARG B 617 144.362 165.424 -3.981 1.00 84.88 C ATOM 834 CG ARG B 617 143.599 166.534 -4.666 1.00 94.26 C ATOM 835 CD ARG B 617 144.513 167.625 -5.201 1.00105.17 C ATOM 836 NE ARG B 617 144.767 168.672 -4.214 1.00114.07 N ATOM 837 CZ ARG B 617 145.851 168.722 -3.449 1.00112.42 C ATOM 838 NH1 ARG B 617 146.778 167.783 -3.568 1.00111.36 N ATOM 839 NH2 ARG B 617 146.011 169.711 -2.574 1.00108.82 N ATOM 840 HE ARG B 617 144.056 169.423 -4.104 1.00 0.00 H ATOM 841 HH12 ARG B 617 147.630 167.815 -2.972 1.00 0.00 H ATOM 842 HH11 ARG B 617 146.654 167.014 -4.257 1.00 0.00 H ATOM 843 HH22 ARG B 617 146.862 169.745 -1.977 1.00 0.00 H ATOM 844 HH21 ARG B 617 145.285 170.450 -2.486 1.00 0.00 H ATOM 845 H ARG B 617 145.226 163.429 -2.559 1.00 0.00 H ATOM 846 N GLU B 618 143.479 162.426 -5.167 1.00 92.20 N ATOM 847 CA GLU B 618 142.948 161.710 -6.319 1.00 95.67 C ATOM 848 C GLU B 618 141.630 161.016 -6.004 1.00 93.16 C ATOM 849 O GLU B 618 140.678 161.110 -6.770 1.00 96.46 O ATOM 850 CB GLU B 618 143.990 160.756 -6.885 1.00 93.08 C ATOM 851 CG GLU B 618 145.077 161.540 -7.599 1.00104.78 C ATOM 852 CD GLU B 618 146.211 160.684 -8.115 1.00109.14 C ATOM 853 OE1 GLU B 618 146.427 159.568 -7.582 1.00106.33 O ATOM 854 OE2 GLU B 618 146.894 161.147 -9.058 1.00111.91 O ATOM 855 H GLU B 618 144.330 162.080 -4.680 1.00 0.00 H ATOM 856 N VAL B 619 141.580 160.346 -4.859 1.00 85.87 N ATOM 857 CA VAL B 619 140.348 159.753 -4.356 1.00 77.78 C ATOM 858 C VAL B 619 139.250 160.801 -4.196 1.00 89.82 C ATOM 859 O VAL B 619 138.113 160.616 -4.643 1.00 89.57 O ATOM 860 CB VAL B 619 140.578 159.154 -2.977 1.00 65.52 C ATOM 861 CG1 VAL B 619 139.274 158.625 -2.399 1.00 68.13 C ATOM 862 CG2 VAL B 619 141.612 158.061 -3.049 1.00 65.93 C ATOM 863 H VAL B 619 142.451 160.241 -4.301 1.00 0.00 H ATOM 864 N ALA B 620 139.598 161.899 -3.535 1.00 92.04 N ATOM 865 CA ALA B 620 138.621 162.912 -3.173 1.00 92.25 C ATOM 866 C ALA B 620 138.087 163.613 -4.417 1.00101.43 C ATOM 867 O ALA B 620 136.906 163.960 -4.493 1.00107.07 O ATOM 868 CB ALA B 620 139.233 163.897 -2.208 1.00 90.61 C ATOM 869 H ALA B 620 140.594 162.037 -3.270 1.00 0.00 H ATOM 870 N GLU B 621 138.964 163.799 -5.397 1.00105.41 N ATOM 871 CA GLU B 621 138.573 164.322 -6.706 1.00108.17 C ATOM 872 C GLU B 621 137.895 163.250 -7.568 1.00105.13 C ATOM 873 O GLU B 621 137.481 163.527 -8.674 1.00106.99 O ATOM 874 CB GLU B 621 139.773 164.950 -7.434 1.00115.19 C ATOM 875 CG GLU B 621 140.204 166.328 -6.889 1.00120.31 C ATOM 876 CD GLU B 621 141.542 166.829 -7.457 1.00120.81 C ATOM 877 OE1 GLU B 621 142.473 166.006 -7.650 1.00110.73 O ATOM 878 OE2 GLU B 621 141.658 168.053 -7.706 1.00123.92 O ATOM 879 H GLU B 621 139.963 163.565 -5.228 1.00 0.00 H ATOM 880 N GLN B 622 137.811 162.020 -7.065 1.00108.82 N ATOM 881 CA GLN B 622 137.037 160.961 -7.720 1.00109.65 C ATOM 882 C GLN B 622 135.586 161.006 -7.264 1.00105.46 C ATOM 883 O GLN B 622 134.801 160.114 -7.590 1.00104.37 O ATOM 884 CB GLN B 622 137.602 159.567 -7.399 1.00112.45 C ATOM 885 CG GLN B 622 138.707 159.086 -8.324 1.00117.75 C ATOM 886 CD GLN B 622 138.274 159.064 -9.784 1.00123.03 C ATOM 887 OE1 GLN B 622 138.236 160.105 -10.453 1.00122.84 O ATOM 888 NE2 GLN B 622 137.942 157.874 -10.286 1.00121.59 N ATOM 889 HE22 GLN B 622 137.989 157.025 -9.687 1.00 0.00 H ATOM 890 HE21 GLN B 622 137.636 157.795 -11.277 1.00 0.00 H ATOM 891 H GLN B 622 138.311 161.804 -6.179 1.00 0.00 H ATOM 892 N GLY B 623 135.246 162.024 -6.475 1.00 93.45 N ATOM 893 CA GLY B 623 133.938 162.112 -5.848 1.00 91.56 C ATOM 894 C GLY B 623 133.754 161.115 -4.709 1.00 92.92 C ATOM 895 O GLY B 623 132.635 160.878 -4.263 1.00 93.36 O ATOM 896 H GLY B 623 135.939 162.780 -6.302 1.00 0.00 H ATOM 897 N LYS B 624 134.848 160.529 -4.232 1.00 87.02 N ATOM 898 CA LYS B 624 134.757 159.538 -3.178 1.00 77.27 C ATOM 899 C LYS B 624 135.360 160.043 -1.883 1.00 73.48 C ATOM 900 O LYS B 624 136.329 160.790 -1.895 1.00 81.32 O ATOM 901 CB LYS B 624 135.472 158.259 -3.596 1.00 80.96 C ATOM 902 CG LYS B 624 134.621 157.305 -4.405 1.00 86.10 C ATOM 903 CD LYS B 624 135.286 155.931 -4.531 1.00 87.02 C ATOM 904 CE LYS B 624 134.414 154.988 -5.353 1.00 96.60 C ATOM 905 NZ LYS B 624 133.846 155.651 -6.576 1.00105.83 N ATOM 906 HZ1 LYS B 624 133.261 156.462 -6.289 1.00 0.00 H ATOM 907 HZ2 LYS B 624 134.624 155.981 -7.183 1.00 0.00 H ATOM 908 HZ3 LYS B 624 133.262 154.968 -7.099 1.00 0.00 H ATOM 909 H LYS B 624 135.779 160.784 -4.619 1.00 0.00 H ATOM 910 N HIS B 625 134.796 159.613 -0.762 1.00 69.25 N ATOM 911 CA HIS B 625 135.331 159.972 0.537 1.00 67.38 C ATOM 912 C HIS B 625 136.507 159.078 0.844 1.00 75.46 C ATOM 913 O HIS B 625 136.389 157.851 0.825 1.00 82.40 O ATOM 914 CB HIS B 625 134.275 159.801 1.620 1.00 71.57 C ATOM 915 CG HIS B 625 133.151 160.779 1.526 1.00 83.99 C ATOM 916 ND1 HIS B 625 133.344 162.146 1.579 1.00 90.97 N ATOM 917 CD2 HIS B 625 131.817 160.600 1.386 1.00 84.02 C ATOM 918 CE1 HIS B 625 132.185 162.760 1.479 1.00 93.21 C ATOM 919 NE2 HIS B 625 131.235 161.843 1.361 1.00 90.95 N ATOM 920 H HIS B 625 133.953 159.006 -0.816 1.00 0.00 H ATOM 921 N CYS B 626 137.644 159.687 1.143 1.00 71.94 N ATOM 922 CA CYS B 626 138.840 158.909 1.359 1.00 68.34 C ATOM 923 C CYS B 626 138.959 158.438 2.806 1.00 72.19 C ATOM 924 O CYS B 626 139.123 159.237 3.723 1.00 77.24 O ATOM 925 CB CYS B 626 140.061 159.727 0.960 1.00 70.12 C ATOM 926 SG CYS B 626 141.543 158.744 0.862 1.00 94.43 S ATOM 927 H CYS B 626 137.675 160.724 1.222 1.00 0.00 H ATOM 928 N ILE B 627 138.913 157.127 3.004 1.00 71.95 N ATOM 929 CA ILE B 627 139.010 156.568 4.340 1.00 69.87 C ATOM 930 C ILE B 627 140.473 156.528 4.730 1.00 76.90 C ATOM 931 O ILE B 627 141.281 155.830 4.099 1.00 85.39 O ATOM 932 CB ILE B 627 138.459 155.127 4.383 1.00 75.17 C ATOM 933 CG1 ILE B 627 137.009 155.081 3.886 1.00 84.05 C ATOM 934 CG2 ILE B 627 138.583 154.541 5.780 1.00 67.50 C ATOM 935 CD1 ILE B 627 136.071 155.970 4.662 1.00 83.62 C ATOM 936 H ILE B 627 138.806 156.490 2.189 1.00 0.00 H ATOM 937 N LEU B 628 140.821 157.250 5.787 1.00 75.19 N ATOM 938 CA LEU B 628 142.219 157.332 6.191 1.00 72.38 C ATOM 939 C LEU B 628 142.519 156.636 7.505 1.00 74.31 C ATOM 940 O LEU B 628 141.792 156.783 8.495 1.00 72.37 O ATOM 941 CB LEU B 628 142.665 158.790 6.269 1.00 72.28 C ATOM 942 CG LEU B 628 142.546 159.539 4.939 1.00 73.65 C ATOM 943 CD1 LEU B 628 142.700 161.066 5.095 1.00 63.06 C ATOM 944 CD2 LEU B 628 143.561 158.975 3.952 1.00 74.40 C ATOM 945 H LEU B 628 140.094 157.759 6.329 1.00 0.00 H ATOM 946 N ASP B 629 143.602 155.870 7.506 1.00 84.99 N ATOM 947 CA ASP B 629 144.163 155.412 8.758 1.00 92.61 C ATOM 948 C ASP B 629 145.359 156.307 9.004 1.00 88.20 C ATOM 949 O ASP B 629 146.433 156.098 8.420 1.00 88.12 O ATOM 950 CB ASP B 629 144.632 153.965 8.629 1.00 96.59 C ATOM 951 CG ASP B 629 144.625 153.235 9.953 1.00104.68 C ATOM 952 OD1 ASP B 629 145.009 153.845 10.978 1.00104.53 O ATOM 953 OD2 ASP B 629 144.217 152.054 9.965 1.00109.22 O ATOM 954 H ASP B 629 144.048 155.599 6.606 1.00 0.00 H ATOM 955 N VAL B 630 145.178 157.268 9.909 1.00 75.86 N ATOM 956 CA VAL B 630 146.211 158.249 10.228 1.00 73.64 C ATOM 957 C VAL B 630 146.052 158.774 11.658 1.00 75.68 C ATOM 958 O VAL B 630 144.979 158.676 12.250 1.00 76.71 O ATOM 959 CB VAL B 630 146.199 159.465 9.261 1.00 80.77 C ATOM 960 CG1 VAL B 630 146.724 159.089 7.875 1.00 78.06 C ATOM 961 CG2 VAL B 630 144.818 160.064 9.174 1.00 82.32 C ATOM 962 H VAL B 630 144.266 157.321 10.407 1.00 0.00 H ATOM 963 N SER B 631 147.133 159.322 12.203 1.00 74.48 N ATOM 964 CA SER B 631 147.133 159.903 13.535 1.00 79.30 C ATOM 965 C SER B 631 146.386 161.219 13.492 1.00 84.19 C ATOM 966 O SER B 631 146.108 161.760 12.417 1.00 82.16 O ATOM 967 CB SER B 631 148.560 160.123 14.044 1.00 89.66 C ATOM 968 OG SER B 631 149.191 161.205 13.383 1.00 96.96 O ATOM 969 HG SER B 631 149.231 161.018 12.412 1.00 0.00 H ATOM 970 H SER B 631 148.016 159.336 11.653 1.00 0.00 H ATOM 971 N ALA B 632 146.019 161.715 14.664 1.00 87.68 N ATOM 972 CA ALA B 632 145.369 163.011 14.753 1.00 82.27 C ATOM 973 C ALA B 632 146.303 164.132 14.292 1.00 81.98 C ATOM 974 O ALA B 632 145.846 165.216 13.908 1.00 79.37 O ATOM 975 CB ALA B 632 144.910 163.248 16.157 1.00 85.78 C ATOM 976 H ALA B 632 146.198 161.170 15.531 1.00 0.00 H ATOM 977 N ASN B 633 147.610 163.872 14.331 1.00 86.25 N ATOM 978 CA ASN B 633 148.593 164.820 13.813 1.00 93.63 C ATOM 979 C ASN B 633 148.384 165.086 12.331 1.00 93.00 C ATOM 980 O ASN B 633 148.665 166.179 11.838 1.00 94.37 O ATOM 981 CB ASN B 633 150.008 164.300 14.024 1.00105.95 C ATOM 982 CG ASN B 633 150.341 164.100 15.480 1.00112.75 C ATOM 983 OD1 ASN B 633 150.679 162.989 15.906 1.00120.56 O ATOM 984 ND2 ASN B 633 150.248 165.174 16.259 1.00106.00 N ATOM 985 HD22 ASN B 633 149.959 166.087 15.853 1.00 0.00 H ATOM 986 HD21 ASN B 633 150.464 165.101 17.274 1.00 0.00 H ATOM 987 H ASN B 633 147.937 162.973 14.740 1.00 0.00 H ATOM 988 N ALA B 634 147.881 164.079 11.625 1.00 91.03 N ATOM 989 CA ALA B 634 147.633 164.208 10.197 1.00 94.54 C ATOM 990 C ALA B 634 146.567 165.259 9.850 1.00 93.21 C ATOM 991 O ALA B 634 146.623 165.880 8.788 1.00 97.75 O ATOM 992 CB ALA B 634 147.274 162.861 9.605 1.00 95.95 C ATOM 993 H ALA B 634 147.660 163.182 12.102 1.00 0.00 H ATOM 994 N VAL B 635 145.609 165.472 10.746 1.00 88.42 N ATOM 995 CA VAL B 635 144.531 166.426 10.480 1.00 84.41 C ATOM 996 C VAL B 635 145.016 167.865 10.290 1.00 87.34 C ATOM 997 O VAL B 635 144.597 168.543 9.346 1.00 91.13 O ATOM 998 CB VAL B 635 143.484 166.422 11.592 1.00 83.28 C ATOM 999 CG1 VAL B 635 142.301 167.271 11.192 1.00 74.64 C ATOM 1000 CG2 VAL B 635 143.048 164.999 11.904 1.00 85.93 C ATOM 1001 H VAL B 635 145.625 164.954 11.648 1.00 0.00 H ATOM 1002 N ARG B 636 145.874 168.344 11.187 1.00 80.04 N ATOM 1003 CA ARG B 636 146.472 169.648 10.972 1.00 86.39 C ATOM 1004 C ARG B 636 147.086 169.645 9.570 1.00 93.48 C ATOM 1005 O ARG B 636 146.935 170.602 8.821 1.00100.70 O ATOM 1006 CB ARG B 636 147.535 169.962 12.030 1.00 90.60 C ATOM 1007 H ARG B 636 146.113 167.789 12.034 1.00 0.00 H ATOM 1008 N ARG B 637 147.727 168.541 9.196 1.00 92.57 N ATOM 1009 CA ARG B 637 148.384 168.459 7.888 1.00 92.28 C ATOM 1010 C ARG B 637 147.390 168.483 6.729 1.00 85.91 C ATOM 1011 O ARG B 637 147.677 169.035 5.668 1.00 88.57 O ATOM 1012 CB ARG B 637 149.289 167.224 7.789 1.00 88.93 C ATOM 1013 CG ARG B 637 150.233 167.073 8.964 1.00 95.24 C ATOM 1014 CD ARG B 637 151.513 166.384 8.567 1.00113.58 C ATOM 1015 NE ARG B 637 152.387 166.176 9.720 1.00130.98 N ATOM 1016 CZ ARG B 637 152.353 165.097 10.501 1.00135.58 C ATOM 1017 NH1 ARG B 637 151.481 164.122 10.259 1.00126.45 N ATOM 1018 NH2 ARG B 637 153.192 164.995 11.528 1.00143.08 N ATOM 1019 HE ARG B 637 153.080 166.918 9.945 1.00 0.00 H ATOM 1020 HH12 ARG B 637 151.458 163.281 10.871 1.00 0.00 H ATOM 1021 HH11 ARG B 637 150.823 164.200 9.458 1.00 0.00 H ATOM 1022 HH22 ARG B 637 153.167 164.153 12.139 1.00 0.00 H ATOM 1023 HH21 ARG B 637 153.873 165.757 11.721 1.00 0.00 H ATOM 1024 H ARG B 637 147.763 167.725 9.840 1.00 0.00 H ATOM 1025 N LEU B 638 146.228 167.880 6.940 1.00 80.42 N ATOM 1026 CA LEU B 638 145.161 167.883 5.945 1.00 83.38 C ATOM 1027 C LEU B 638 144.482 169.242 5.810 1.00 89.51 C ATOM 1028 O LEU B 638 144.219 169.711 4.696 1.00 87.38 O ATOM 1029 CB LEU B 638 144.127 166.830 6.315 1.00 79.95 C ATOM 1030 CG LEU B 638 144.585 165.450 5.846 1.00 77.51 C ATOM 1031 CD1 LEU B 638 143.800 164.331 6.511 1.00 61.04 C ATOM 1032 CD2 LEU B 638 144.449 165.411 4.335 1.00 72.97 C ATOM 1033 H LEU B 638 146.072 167.389 7.844 1.00 0.00 H ATOM 1034 N GLN B 639 144.172 169.853 6.949 1.00 92.40 N ATOM 1035 CA GLN B 639 143.667 171.213 6.950 1.00 91.96 C ATOM 1036 C GLN B 639 144.648 172.043 6.153 1.00 91.04 C ATOM 1037 O GLN B 639 144.281 172.683 5.175 1.00 98.52 O ATOM 1038 CB GLN B 639 143.548 171.747 8.376 1.00 96.34 C ATOM 1039 CG GLN B 639 142.455 171.060 9.187 1.00105.84 C ATOM 1040 CD GLN B 639 142.591 171.286 10.689 1.00114.59 C ATOM 1041 OE1 GLN B 639 142.101 170.486 11.495 1.00115.81 O ATOM 1042 NE2 GLN B 639 143.260 172.374 11.071 1.00113.37 N ATOM 1043 HE22 GLN B 639 143.655 173.019 10.357 1.00 0.00 H ATOM 1044 HE21 GLN B 639 143.387 172.578 12.083 1.00 0.00 H ATOM 1045 H GLN B 639 144.293 169.350 7.851 1.00 0.00 H ATOM 1046 N ALA B 640 145.913 171.968 6.541 1.00 87.71 N ATOM 1047 CA ALA B 640 146.964 172.763 5.919 1.00 89.49 C ATOM 1048 C ALA B 640 147.047 172.550 4.411 1.00 92.81 C ATOM 1049 O ALA B 640 147.504 173.420 3.678 1.00 97.62 O ATOM 1050 CB ALA B 640 148.301 172.443 6.561 1.00 89.12 C ATOM 1051 H ALA B 640 146.164 171.320 7.315 1.00 0.00 H ATOM 1052 N ALA B 641 146.602 171.390 3.948 1.00 86.46 N ATOM 1053 CA ALA B 641 146.709 171.054 2.534 1.00 85.96 C ATOM 1054 C ALA B 641 145.464 171.494 1.792 1.00 89.83 C ATOM 1055 O ALA B 641 145.330 171.225 0.592 1.00 86.44 O ATOM 1056 CB ALA B 641 146.919 169.564 2.364 1.00 82.03 C ATOM 1057 H ALA B 641 146.170 170.709 4.604 1.00 0.00 H ATOM 1058 N HIS B 642 144.551 172.142 2.522 1.00 94.50 N ATOM 1059 CA HIS B 642 143.293 172.635 1.956 1.00 94.46 C ATOM 1060 C HIS B 642 142.266 171.522 1.736 1.00 91.83 C ATOM 1061 O HIS B 642 141.234 171.735 1.111 1.00103.90 O ATOM 1062 CB HIS B 642 143.510 173.536 0.737 1.00 99.83 C ATOM 1063 CG HIS B 642 144.431 174.686 1.011 1.00111.69 C ATOM 1064 ND1 HIS B 642 144.777 175.066 2.291 1.00112.22 N ATOM 1065 CD2 HIS B 642 145.093 175.524 0.178 1.00118.31 C ATOM 1066 CE1 HIS B 642 145.610 176.091 2.234 1.00116.27 C ATOM 1067 NE2 HIS B 642 145.817 176.388 0.964 1.00119.49 N ATOM 1068 H HIS B 642 144.741 172.303 3.532 1.00 0.00 H ATOM 1069 N LEU B 643 142.599 170.319 2.186 1.00 80.01 N ATOM 1070 CA LEU B 643 141.768 169.152 1.940 1.00 81.09 C ATOM 1071 C LEU B 643 140.650 168.926 2.939 1.00 85.33 C ATOM 1072 O LEU B 643 139.997 167.889 2.869 1.00 86.37 O ATOM 1073 CB LEU B 643 142.618 167.883 1.829 1.00 83.00 C ATOM 1074 CG LEU B 643 143.358 167.724 0.500 1.00 85.01 C ATOM 1075 CD1 LEU B 643 144.322 166.579 0.595 1.00 88.25 C ATOM 1076 CD2 LEU B 643 142.379 167.505 -0.643 1.00 82.09 C ATOM 1077 H LEU B 643 143.479 170.208 2.730 1.00 0.00 H ATOM 1078 N HIS B 644 140.470 169.847 3.887 1.00 88.47 N ATOM 1079 CA HIS B 644 139.230 169.927 4.675 1.00 87.11 C ATOM 1080 C HIS B 644 138.655 168.558 5.110 1.00 81.22 C ATOM 1081 O HIS B 644 137.597 168.135 4.640 1.00 82.54 O ATOM 1082 CB HIS B 644 138.184 170.667 3.843 1.00 93.55 C ATOM 1083 CG HIS B 644 137.038 171.223 4.632 1.00 99.18 C ATOM 1084 ND1 HIS B 644 135.878 171.681 4.042 1.00 94.17 N ATOM 1085 CD2 HIS B 644 136.879 171.417 5.970 1.00 98.53 C ATOM 1086 CE1 HIS B 644 135.057 172.130 4.970 1.00 96.01 C ATOM 1087 NE2 HIS B 644 135.639 171.979 6.149 1.00 99.09 N ATOM 1088 H HIS B 644 141.231 170.531 4.075 1.00 0.00 H ATOM 1089 N PRO B 645 139.353 167.849 5.999 1.00 69.90 N ATOM 1090 CA PRO B 645 138.876 166.504 6.366 1.00 64.02 C ATOM 1091 C PRO B 645 137.605 166.484 7.217 1.00 65.23 C ATOM 1092 O PRO B 645 137.187 167.508 7.753 1.00 70.31 O ATOM 1093 CB PRO B 645 140.041 165.926 7.167 1.00 63.33 C ATOM 1094 CG PRO B 645 140.804 167.113 7.656 1.00 70.62 C ATOM 1095 CD PRO B 645 140.641 168.190 6.625 1.00 69.84 C ATOM 1096 N ILE B 646 136.982 165.318 7.315 1.00 66.03 N ATOM 1097 CA ILE B 646 135.904 165.102 8.276 1.00 71.41 C ATOM 1098 C ILE B 646 136.450 164.195 9.365 1.00 72.21 C ATOM 1099 O ILE B 646 136.612 162.993 9.152 1.00 72.53 O ATOM 1100 CB ILE B 646 134.687 164.382 7.639 1.00 63.10 C ATOM 1101 CG1 ILE B 646 134.035 165.229 6.549 1.00 65.90 C ATOM 1102 CG2 ILE B 646 133.650 164.050 8.683 1.00 59.84 C ATOM 1103 CD1 ILE B 646 132.795 164.573 5.970 1.00 66.40 C ATOM 1104 H ILE B 646 137.268 164.537 6.691 1.00 0.00 H ATOM 1105 N ALA B 647 136.689 164.759 10.545 1.00 68.69 N ATOM 1106 CA ALA B 647 137.389 164.039 11.605 1.00 58.45 C ATOM 1107 C ALA B 647 136.465 163.656 12.749 1.00 62.15 C ATOM 1108 O ALA B 647 135.923 164.523 13.448 1.00 68.90 O ATOM 1109 CB ALA B 647 138.516 164.881 12.114 1.00 57.43 C ATOM 1110 H ALA B 647 136.370 165.734 10.717 1.00 0.00 H ATOM 1111 N ILE B 648 136.305 162.359 12.961 1.00 53.34 N ATOM 1112 CA ILE B 648 135.311 161.891 13.916 1.00 56.22 C ATOM 1113 C ILE B 648 135.912 161.118 15.072 1.00 66.18 C ATOM 1114 O ILE B 648 136.514 160.056 14.877 1.00 76.04 O ATOM 1115 CB ILE B 648 134.296 160.977 13.232 1.00 56.34 C ATOM 1116 CG1 ILE B 648 133.595 161.725 12.093 1.00 67.62 C ATOM 1117 CG2 ILE B 648 133.279 160.466 14.235 1.00 56.32 C ATOM 1118 CD1 ILE B 648 132.660 160.848 11.280 1.00 70.64 C ATOM 1119 H ILE B 648 136.891 161.673 12.444 1.00 0.00 H ATOM 1120 N PHE B 649 135.728 161.632 16.280 1.00 57.47 N ATOM 1121 CA PHE B 649 136.248 160.950 17.444 1.00 57.72 C ATOM 1122 C PHE B 649 135.178 160.094 18.107 1.00 68.18 C ATOM 1123 O PHE B 649 134.043 160.523 18.292 1.00 73.31 O ATOM 1124 CB PHE B 649 136.822 161.948 18.439 1.00 59.33 C ATOM 1125 CG PHE B 649 137.277 161.323 19.727 1.00 69.19 C ATOM 1126 CD1 PHE B 649 138.257 160.337 19.730 1.00 70.79 C ATOM 1127 CD2 PHE B 649 136.728 161.724 20.935 1.00 75.47 C ATOM 1128 CE1 PHE B 649 138.681 159.763 20.913 1.00 74.77 C ATOM 1129 CE2 PHE B 649 137.146 161.156 22.126 1.00 84.00 C ATOM 1130 CZ PHE B 649 138.127 160.170 22.114 1.00 84.61 C ATOM 1131 H PHE B 649 135.209 162.527 16.391 1.00 0.00 H ATOM 1132 N ILE B 650 135.553 158.875 18.465 1.00 68.36 N ATOM 1133 CA ILE B 650 134.634 157.971 19.131 1.00 70.65 C ATOM 1134 C ILE B 650 134.989 157.942 20.616 1.00 72.55 C ATOM 1135 O ILE B 650 136.028 157.414 21.007 1.00 77.08 O ATOM 1136 CB ILE B 650 134.687 156.556 18.489 1.00 68.16 C ATOM 1137 CG1 ILE B 650 134.544 156.679 16.975 1.00 54.60 C ATOM 1138 CG2 ILE B 650 133.609 155.632 19.065 1.00 59.09 C ATOM 1139 CD1 ILE B 650 134.489 155.372 16.258 1.00 61.90 C ATOM 1140 H ILE B 650 136.524 158.560 18.265 1.00 0.00 H ATOM 1141 N ARG B 651 134.116 158.518 21.433 1.00 70.98 N ATOM 1142 CA ARG B 651 134.424 158.793 22.827 1.00 78.02 C ATOM 1143 C ARG B 651 133.796 157.745 23.729 1.00 88.35 C ATOM 1144 O ARG B 651 132.572 157.655 23.827 1.00 93.38 O ATOM 1145 CB ARG B 651 133.920 160.196 23.207 1.00 78.74 C ATOM 1146 CG ARG B 651 134.257 160.665 24.615 1.00 78.32 C ATOM 1147 CD ARG B 651 133.183 161.621 25.146 1.00 85.92 C ATOM 1148 NE ARG B 651 133.388 163.025 24.775 1.00 92.23 N ATOM 1149 CZ ARG B 651 132.410 163.860 24.424 1.00 97.83 C ATOM 1150 NH1 ARG B 651 131.158 163.429 24.363 1.00 99.90 N ATOM 1151 NH2 ARG B 651 132.679 165.124 24.115 1.00100.50 N ATOM 1152 HE ARG B 651 134.360 163.393 24.787 1.00 0.00 H ATOM 1153 HH12 ARG B 651 130.396 164.082 24.089 1.00 0.00 H ATOM 1154 HH11 ARG B 651 130.938 162.438 24.589 1.00 0.00 H ATOM 1155 HH22 ARG B 651 131.909 165.768 23.842 1.00 0.00 H ATOM 1156 HH21 ARG B 651 133.659 165.469 24.146 1.00 0.00 H ATOM 1157 H ARG B 651 133.180 158.781 21.064 1.00 0.00 H ATOM 1158 N PRO B 652 134.637 156.929 24.381 1.00 93.21 N ATOM 1159 CA PRO B 652 134.116 155.970 25.356 1.00 95.94 C ATOM 1160 C PRO B 652 133.727 156.698 26.625 1.00 97.52 C ATOM 1161 O PRO B 652 134.398 157.651 27.025 1.00 90.04 O ATOM 1162 CB PRO B 652 135.304 155.052 25.609 1.00 94.76 C ATOM 1163 CG PRO B 652 136.489 155.890 25.327 1.00 91.77 C ATOM 1164 CD PRO B 652 136.099 156.835 24.233 1.00 88.31 C ATOM 1165 N ARG B 653 132.635 156.260 27.234 1.00102.53 N ATOM 1166 CA ARG B 653 132.119 156.906 28.423 1.00106.95 C ATOM 1167 C ARG B 653 132.875 156.423 29.655 1.00113.68 C ATOM 1168 O ARG B 653 133.171 157.192 30.569 1.00118.77 O ATOM 1169 CB ARG B 653 130.620 156.639 28.534 1.00105.48 C ATOM 1170 CG ARG B 653 129.885 156.912 27.235 1.00 98.28 C ATOM 1171 CD ARG B 653 128.390 156.868 27.420 1.00106.54 C ATOM 1172 NE ARG B 653 127.701 157.286 26.204 1.00113.56 N ATOM 1173 CZ ARG B 653 126.854 156.523 25.520 1.00119.79 C ATOM 1174 NH1 ARG B 653 126.573 155.297 25.941 1.00121.04 N ATOM 1175 NH2 ARG B 653 126.278 156.992 24.419 1.00121.77 N ATOM 1176 HE ARG B 653 127.885 158.246 25.848 1.00 0.00 H ATOM 1177 HH12 ARG B 653 125.910 154.702 25.404 1.00 0.00 H ATOM 1178 HH11 ARG B 653 127.016 154.931 26.808 1.00 0.00 H ATOM 1179 HH22 ARG B 653 125.615 156.395 23.884 1.00 0.00 H ATOM 1180 HH21 ARG B 653 126.490 157.956 24.092 1.00 0.00 H ATOM 1181 H ARG B 653 132.136 155.432 26.849 1.00 0.00 H ATOM 1182 N SER B 654 133.176 155.132 29.668 1.00114.17 N ATOM 1183 CA SER B 654 133.885 154.507 30.774 1.00112.80 C ATOM 1184 C SER B 654 134.769 153.396 30.234 1.00107.39 C ATOM 1185 O SER B 654 134.683 153.031 29.057 1.00 98.29 O ATOM 1186 CB SER B 654 132.904 153.931 31.785 1.00116.65 C ATOM 1187 OG SER B 654 132.179 152.860 31.207 1.00116.48 O ATOM 1188 HG SER B 654 131.545 152.494 31.874 1.00 0.00 H ATOM 1189 H SER B 654 132.895 154.544 28.857 1.00 0.00 H ATOM 1190 N LEU B 655 135.644 152.887 31.089 1.00113.63 N ATOM 1191 CA LEU B 655 136.391 151.687 30.766 1.00120.11 C ATOM 1192 C LEU B 655 135.412 150.607 30.313 1.00116.52 C ATOM 1193 O LEU B 655 135.547 150.041 29.226 1.00110.19 O ATOM 1194 CB LEU B 655 137.144 151.199 32.004 1.00134.60 C ATOM 1195 CG LEU B 655 138.549 150.625 31.791 1.00142.53 C ATOM 1196 CD1 LEU B 655 138.601 149.662 30.603 1.00140.90 C ATOM 1197 CD2 LEU B 655 139.573 151.745 31.633 1.00144.10 C ATOM 1198 H LEU B 655 135.797 153.355 32.005 1.00 0.00 H ATOM 1199 N GLU B 656 134.424 150.344 31.163 1.00118.38 N ATOM 1200 CA GLU B 656 133.398 149.343 30.902 1.00117.36 C ATOM 1201 C GLU B 656 132.694 149.580 29.572 1.00113.77 C ATOM 1202 O GLU B 656 132.391 148.633 28.846 1.00114.66 O ATOM 1203 CB GLU B 656 132.370 149.333 32.039 1.00122.37 C ATOM 1204 CG GLU B 656 132.877 148.747 33.358 1.00129.41 C ATOM 1205 CD GLU B 656 133.710 149.723 34.182 1.00128.15 C ATOM 1206 OE1 GLU B 656 133.942 150.868 33.722 1.00122.42 O ATOM 1207 OE2 GLU B 656 134.125 149.334 35.299 1.00128.91 O ATOM 1208 H GLU B 656 134.382 150.877 32.055 1.00 0.00 H ATOM 1209 N ASN B 657 132.435 150.847 29.261 1.00109.56 N ATOM 1210 CA ASN B 657 131.776 151.211 28.013 1.00107.36 C ATOM 1211 C ASN B 657 132.567 150.715 26.804 1.00106.50 C ATOM 1212 O ASN B 657 131.996 150.210 25.839 1.00108.51 O ATOM 1213 CB ASN B 657 131.553 152.728 27.952 1.00103.44 C ATOM 1214 CG ASN B 657 130.863 153.177 26.676 1.00 94.25 C ATOM 1215 OD1 ASN B 657 131.400 153.988 25.923 1.00 95.36 O ATOM 1216 ND2 ASN B 657 129.667 152.654 26.430 1.00 89.21 N ATOM 1217 HD22 ASN B 657 129.251 151.971 27.095 1.00 0.00 H ATOM 1218 HD21 ASN B 657 129.146 152.927 25.572 1.00 0.00 H ATOM 1219 H ASN B 657 132.710 151.598 29.926 1.00 0.00 H ATOM 1220 N VAL B 658 133.886 150.846 26.872 1.00103.13 N ATOM 1221 CA VAL B 658 134.755 150.349 25.815 1.00 94.77 C ATOM 1222 C VAL B 658 134.492 148.871 25.564 1.00102.01 C ATOM 1223 O VAL B 658 134.350 148.441 24.422 1.00103.33 O ATOM 1224 CB VAL B 658 136.232 150.509 26.181 1.00 85.86 C ATOM 1225 CG1 VAL B 658 137.110 150.069 25.023 1.00 76.33 C ATOM 1226 CG2 VAL B 658 136.524 151.940 26.575 1.00 79.86 C ATOM 1227 H VAL B 658 134.308 151.314 27.699 1.00 0.00 H ATOM 1228 N LEU B 659 134.420 148.094 26.636 1.00106.70 N ATOM 1229 CA LEU B 659 134.133 146.672 26.504 1.00113.08 C ATOM 1230 C LEU B 659 132.754 146.398 25.895 1.00118.98 C ATOM 1231 O LEU B 659 132.560 145.372 25.239 1.00121.75 O ATOM 1232 CB LEU B 659 134.262 145.962 27.854 1.00112.44 C ATOM 1233 CG LEU B 659 135.687 145.597 28.267 1.00110.43 C ATOM 1234 CD1 LEU B 659 135.683 144.927 29.635 1.00115.80 C ATOM 1235 CD2 LEU B 659 136.349 144.695 27.217 1.00107.03 C ATOM 1236 H LEU B 659 134.570 148.504 27.580 1.00 0.00 H ATOM 1237 N GLU B 660 131.794 147.295 26.119 1.00117.16 N ATOM 1238 CA GLU B 660 130.449 147.070 25.596 1.00116.41 C ATOM 1239 C GLU B 660 130.280 147.506 24.131 1.00112.12 C ATOM 1240 O GLU B 660 129.368 147.046 23.437 1.00110.46 O ATOM 1241 CB GLU B 660 129.374 147.669 26.512 1.00119.65 C ATOM 1242 CG GLU B 660 129.223 149.168 26.454 1.00118.67 C ATOM 1243 CD GLU B 660 128.251 149.696 27.498 1.00127.41 C ATOM 1244 OE1 GLU B 660 128.232 150.928 27.714 1.00132.87 O ATOM 1245 OE2 GLU B 660 127.509 148.885 28.100 1.00126.78 O ATOM 1246 H GLU B 660 132.003 148.155 26.666 1.00 0.00 H ATOM 1247 N ILE B 661 131.156 148.383 23.656 1.00108.87 N ATOM 1248 CA ILE B 661 131.181 148.700 22.230 1.00109.72 C ATOM 1249 C ILE B 661 132.262 147.905 21.486 1.00114.06 C ATOM 1250 O ILE B 661 132.415 148.030 20.268 1.00111.30 O ATOM 1251 CB ILE B 661 131.357 150.208 21.966 1.00102.30 C ATOM 1252 CG1 ILE B 661 132.662 150.707 22.579 1.00 91.54 C ATOM 1253 CG2 ILE B 661 130.181 150.987 22.531 1.00105.77 C ATOM 1254 CD1 ILE B 661 133.146 151.993 21.979 1.00 75.50 C ATOM 1255 H ILE B 661 131.827 148.846 24.301 1.00 0.00 H ATOM 1256 N ASN B 662 133.024 147.107 22.227 1.00119.45 N ATOM 1257 CA ASN B 662 134.027 146.243 21.617 1.00114.75 C ATOM 1258 C ASN B 662 134.030 144.814 22.197 1.00118.89 C ATOM 1259 O ASN B 662 134.409 144.603 23.349 1.00124.95 O ATOM 1260 CB ASN B 662 135.397 146.901 21.753 1.00103.51 C ATOM 1261 CG ASN B 662 136.358 146.444 20.701 1.00 98.99 C ATOM 1262 OD1 ASN B 662 136.267 145.319 20.212 1.00111.53 O ATOM 1263 ND2 ASN B 662 137.292 147.307 20.340 1.00 86.15 N ATOM 1264 HD22 ASN B 662 137.329 148.248 20.782 1.00 0.00 H ATOM 1265 HD21 ASN B 662 137.989 147.045 19.614 1.00 0.00 H ATOM 1266 H ASN B 662 132.903 147.099 23.260 1.00 0.00 H ATOM 1267 N LYS B 663 133.646 143.833 21.383 1.00117.81 N ATOM 1268 CA LYS B 663 133.477 142.467 21.874 1.00122.78 C ATOM 1269 C LYS B 663 134.807 141.735 22.026 1.00123.99 C ATOM 1270 O LYS B 663 135.074 141.143 23.067 1.00131.26 O ATOM 1271 CB LYS B 663 132.510 141.662 20.984 1.00127.18 C ATOM 1272 CG LYS B 663 132.251 142.247 19.578 1.00126.85 C ATOM 1273 CD LYS B 663 131.385 141.305 18.720 1.00124.85 C ATOM 1274 CE LYS B 663 130.865 141.980 17.447 1.00113.82 C ATOM 1275 NZ LYS B 663 129.636 142.806 17.681 1.00109.67 N ATOM 1276 HZ1 LYS B 663 128.877 142.199 18.050 1.00 0.00 H ATOM 1277 HZ2 LYS B 663 129.849 143.554 18.371 1.00 0.00 H ATOM 1278 HZ3 LYS B 663 129.333 143.236 16.784 1.00 0.00 H ATOM 1279 H LYS B 663 133.463 144.042 20.381 1.00 0.00 H ATOM 1280 N ARG B 664 135.655 141.840 21.006 1.00118.42 N ATOM 1281 CA ARG B 664 136.837 140.980 20.841 1.00112.78 C ATOM 1282 C ARG B 664 138.160 141.446 21.510 1.00104.92 C ATOM 1283 O ARG B 664 139.244 140.976 21.155 1.00102.45 O ATOM 1284 CB ARG B 664 137.027 140.553 19.373 1.00 99.74 C ATOM 1285 H ARG B 664 135.472 142.569 20.287 1.00 0.00 H ATOM 1286 N ILE B 665 138.089 142.424 22.406 1.00104.98 N ATOM 1287 CA ILE B 665 139.291 142.841 23.135 1.00102.60 C ATOM 1288 C ILE B 665 139.278 142.465 24.612 1.00104.55 C ATOM 1289 O ILE B 665 138.215 142.366 25.238 1.00106.72 O ATOM 1290 CB ILE B 665 139.528 144.358 23.034 1.00 98.88 C ATOM 1291 CG1 ILE B 665 138.289 145.128 23.503 1.00 95.63 C ATOM 1292 CG2 ILE B 665 139.884 144.741 21.612 1.00 93.26 C ATOM 1293 CD1 ILE B 665 138.623 146.456 24.137 1.00 96.16 C ATOM 1294 H ILE B 665 137.180 142.894 22.591 1.00 0.00 H ATOM 1295 N THR B 666 140.475 142.255 25.159 1.00105.10 N ATOM 1296 CA THR B 666 140.643 141.932 26.577 1.00107.53 C ATOM 1297 C THR B 666 140.445 143.147 27.463 1.00109.53 C ATOM 1298 O THR B 666 140.499 144.296 27.001 1.00104.84 O ATOM 1299 CB THR B 666 142.031 141.314 26.899 1.00100.34 C ATOM 1300 OG1 THR B 666 143.047 142.331 26.909 1.00 98.30 O ATOM 1301 CG2 THR B 666 142.382 140.232 25.893 1.00 99.28 C ATOM 1302 HG1 THR B 666 143.087 142.765 26.020 1.00 0.00 H ATOM 1303 H THR B 666 141.320 142.323 24.557 1.00 0.00 H ATOM 1304 N GLU B 667 140.213 142.878 28.741 1.00103.71 N ATOM 1305 CA GLU B 667 140.076 143.933 29.731 1.00109.99 C ATOM 1306 C GLU B 667 141.314 144.835 29.833 1.00106.00 C ATOM 1307 O GLU B 667 141.182 146.051 29.962 1.00102.63 O ATOM 1308 CB GLU B 667 139.690 143.351 31.088 1.00122.82 C ATOM 1309 CG GLU B 667 138.323 142.686 31.071 1.00135.83 C ATOM 1310 CD GLU B 667 137.821 142.319 32.457 1.00151.29 C ATOM 1311 OE1 GLU B 667 138.640 142.261 33.405 1.00156.27 O ATOM 1312 OE2 GLU B 667 136.600 142.092 32.597 1.00155.93 O ATOM 1313 H GLU B 667 140.127 141.886 29.042 1.00 0.00 H ATOM 1314 N GLU B 668 142.510 144.260 29.749 1.00104.16 N ATOM 1315 CA GLU B 668 143.719 145.085 29.775 1.00105.55 C ATOM 1316 C GLU B 668 143.814 146.021 28.565 1.00101.53 C ATOM 1317 O GLU B 668 144.179 147.190 28.690 1.00100.62 O ATOM 1318 CB GLU B 668 144.982 144.224 29.893 1.00113.79 C ATOM 1319 CG GLU B 668 146.295 144.984 29.694 1.00120.12 C ATOM 1320 CD GLU B 668 146.408 146.239 30.558 1.00131.20 C ATOM 1321 OE1 GLU B 668 147.073 147.208 30.120 1.00133.46 O ATOM 1322 OE2 GLU B 668 145.839 146.264 31.673 1.00136.22 O ATOM 1323 H GLU B 668 142.586 143.226 29.665 1.00 0.00 H ATOM 1324 N GLN B 669 143.480 145.512 27.391 1.00 98.98 N ATOM 1325 CA GLN B 669 143.535 146.346 26.211 1.00 96.20 C ATOM 1326 C GLN B 669 142.467 147.410 26.244 1.00 97.45 C ATOM 1327 O GLN B 669 142.683 148.513 25.743 1.00102.16 O ATOM 1328 CB GLN B 669 143.383 145.505 24.968 1.00 95.97 C ATOM 1329 CG GLN B 669 144.429 144.445 24.866 1.00 99.36 C ATOM 1330 CD GLN B 669 144.128 143.535 23.733 1.00 98.93 C ATOM 1331 OE1 GLN B 669 143.159 142.774 23.780 1.00 99.27 O ATOM 1332 NE2 GLN B 669 144.922 143.633 22.673 1.00 96.55 N ATOM 1333 HE22 GLN B 669 145.727 144.292 22.685 1.00 0.00 H ATOM 1334 HE21 GLN B 669 144.739 143.051 21.831 1.00 0.00 H ATOM 1335 H GLN B 669 143.180 144.519 27.317 1.00 0.00 H ATOM 1336 N ALA B 670 141.315 147.084 26.825 1.00 93.95 N ATOM 1337 CA ALA B 670 140.273 148.088 27.022 1.00 88.77 C ATOM 1338 C ALA B 670 140.813 149.222 27.894 1.00 90.23 C ATOM 1339 O ALA B 670 140.621 150.388 27.586 1.00 94.72 O ATOM 1340 CB ALA B 670 139.030 147.473 27.642 1.00 87.58 C ATOM 1341 H ALA B 670 141.155 146.106 27.141 1.00 0.00 H ATOM 1342 N ARG B 671 141.503 148.870 28.975 1.00 92.35 N ATOM 1343 CA ARG B 671 142.112 149.864 29.854 1.00 93.07 C ATOM 1344 C ARG B 671 143.072 150.739 29.080 1.00 91.40 C ATOM 1345 O ARG B 671 142.928 151.955 29.075 1.00 94.57 O ATOM 1346 CB ARG B 671 142.873 149.191 30.994 1.00 96.75 C ATOM 1347 CG ARG B 671 142.534 149.720 32.382 1.00100.28 C ATOM 1348 CD ARG B 671 143.530 149.236 33.432 1.00103.98 C ATOM 1349 NE ARG B 671 144.672 150.142 33.545 1.00108.92 N ATOM 1350 CZ ARG B 671 145.786 150.058 32.817 1.00109.51 C ATOM 1351 NH1 ARG B 671 145.925 149.099 31.909 1.00113.45 N ATOM 1352 NH2 ARG B 671 146.768 150.936 32.998 1.00102.69 N ATOM 1353 HE ARG B 671 144.611 150.909 34.245 1.00 0.00 H ATOM 1354 HH12 ARG B 671 146.797 149.040 31.345 1.00 0.00 H ATOM 1355 HH11 ARG B 671 145.162 148.407 31.762 1.00 0.00 H ATOM 1356 HH22 ARG B 671 147.636 150.869 32.430 1.00 0.00 H ATOM 1357 HH21 ARG B 671 146.668 151.689 33.708 1.00 0.00 H ATOM 1358 H ARG B 671 141.612 147.860 29.200 1.00 0.00 H ATOM 1359 N LYS B 672 144.051 150.110 28.435 1.00 91.81 N ATOM 1360 CA LYS B 672 145.051 150.821 27.650 1.00 88.94 C ATOM 1361 C LYS B 672 144.391 151.768 26.632 1.00 91.75 C ATOM 1362 O LYS B 672 144.893 152.873 26.383 1.00 99.84 O ATOM 1363 CB LYS B 672 145.999 149.828 26.958 1.00 75.59 C ATOM 1364 H LYS B 672 144.104 149.073 28.493 1.00 0.00 H ATOM 1365 N ALA B 673 143.250 151.347 26.085 1.00 79.78 N ATOM 1366 CA ALA B 673 142.529 152.121 25.061 1.00 76.20 C ATOM 1367 C ALA B 673 141.675 153.282 25.596 1.00 81.61 C ATOM 1368 O ALA B 673 141.562 154.322 24.942 1.00 85.92 O ATOM 1369 CB ALA B 673 141.675 151.209 24.209 1.00 59.31 C ATOM 1370 H ALA B 673 142.854 150.436 26.394 1.00 0.00 H ATOM 1371 N PHE B 674 141.059 153.104 26.763 1.00 83.01 N ATOM 1372 CA PHE B 674 140.303 154.185 27.391 1.00 84.40 C ATOM 1373 C PHE B 674 141.250 155.334 27.749 1.00 90.85 C ATOM 1374 O PHE B 674 140.952 156.502 27.497 1.00 94.50 O ATOM 1375 CB PHE B 674 139.548 153.672 28.630 1.00 89.20 C ATOM 1376 CG PHE B 674 138.681 154.719 29.316 1.00 98.03 C ATOM 1377 CD1 PHE B 674 137.446 155.087 28.786 1.00 98.13 C ATOM 1378 CD2 PHE B 674 139.092 155.315 30.504 1.00101.76 C ATOM 1379 CE1 PHE B 674 136.652 156.043 29.421 1.00 95.96 C ATOM 1380 CE2 PHE B 674 138.296 156.266 31.143 1.00100.85 C ATOM 1381 CZ PHE B 674 137.077 156.623 30.602 1.00 97.55 C ATOM 1382 H PHE B 674 141.117 152.179 27.236 1.00 0.00 H ATOM 1383 N ASP B 675 142.400 154.993 28.316 1.00 94.10 N ATOM 1384 CA ASP B 675 143.377 155.995 28.696 1.00 97.34 C ATOM 1385 C ASP B 675 143.876 156.660 27.444 1.00 88.80 C ATOM 1386 O ASP B 675 144.166 157.849 27.432 1.00 90.89 O ATOM 1387 CB ASP B 675 144.532 155.342 29.435 1.00107.29 C ATOM 1388 CG ASP B 675 144.091 154.712 30.733 1.00119.22 C ATOM 1389 OD1 ASP B 675 143.182 155.280 31.377 1.00121.41 O ATOM 1390 OD2 ASP B 675 144.638 153.649 31.101 1.00125.03 O ATOM 1391 H ASP B 675 142.605 153.988 28.491 1.00 0.00 H ATOM 1392 N ARG B 676 143.946 155.883 26.376 1.00 81.99 N ATOM 1393 CA ARG B 676 144.433 156.391 25.108 1.00 83.38 C ATOM 1394 C ARG B 676 143.517 157.468 24.535 1.00 85.36 C ATOM 1395 O ARG B 676 143.979 158.539 24.131 1.00 86.47 O ATOM 1396 CB ARG B 676 144.559 155.252 24.113 1.00 82.17 C ATOM 1397 CG ARG B 676 145.706 155.417 23.161 1.00 88.14 C ATOM 1398 CD ARG B 676 146.793 154.431 23.484 1.00 98.42 C ATOM 1399 NE ARG B 676 146.228 153.104 23.712 1.00115.87 N ATOM 1400 CZ ARG B 676 145.659 152.346 22.772 1.00117.96 C ATOM 1401 NH1 ARG B 676 145.564 152.778 21.519 1.00117.13 N ATOM 1402 NH2 ARG B 676 145.177 151.151 23.089 1.00117.72 N ATOM 1403 HE ARG B 676 146.272 152.721 24.678 1.00 0.00 H ATOM 1404 HH12 ARG B 676 145.119 152.179 20.795 1.00 0.00 H ATOM 1405 HH11 ARG B 676 145.935 153.715 21.263 1.00 0.00 H ATOM 1406 HH22 ARG B 676 144.733 150.559 22.358 1.00 0.00 H ATOM 1407 HH21 ARG B 676 145.243 150.807 24.068 1.00 0.00 H ATOM 1408 H ARG B 676 143.646 154.890 26.447 1.00 0.00 H ATOM 1409 N ALA B 677 142.220 157.173 24.505 1.00 77.24 N ATOM 1410 CA ALA B 677 141.223 158.098 23.980 1.00 69.89 C ATOM 1411 C ALA B 677 141.114 159.365 24.825 1.00 81.90 C ATOM 1412 O ALA B 677 140.759 160.443 24.335 1.00 86.68 O ATOM 1413 CB ALA B 677 139.880 157.418 23.904 1.00 68.97 C ATOM 1414 H ALA B 677 141.907 156.250 24.869 1.00 0.00 H ATOM 1415 N THR B 678 141.409 159.229 26.106 1.00 83.99 N ATOM 1416 CA THR B 678 141.409 160.379 26.982 1.00 84.01 C ATOM 1417 C THR B 678 142.540 161.330 26.609 1.00 84.98 C ATOM 1418 O THR B 678 142.310 162.524 26.425 1.00 88.48 O ATOM 1419 CB THR B 678 141.523 159.947 28.446 1.00 82.55 C ATOM 1420 OG1 THR B 678 140.299 159.310 28.840 1.00 83.57 O ATOM 1421 CG2 THR B 678 141.790 161.146 29.342 1.00 74.98 C ATOM 1422 HG1 THR B 678 140.142 158.517 28.268 1.00 0.00 H ATOM 1423 H THR B 678 141.642 158.289 26.486 1.00 0.00 H ATOM 1424 N LYS B 679 143.755 160.802 26.486 1.00 84.47 N ATOM 1425 CA LYS B 679 144.898 161.643 26.146 1.00 84.00 C ATOM 1426 C LYS B 679 144.650 162.266 24.777 1.00 79.90 C ATOM 1427 O LYS B 679 144.975 163.431 24.551 1.00 85.76 O ATOM 1428 CB LYS B 679 146.225 160.861 26.189 1.00 76.22 C ATOM 1429 H LYS B 679 143.891 159.782 26.633 1.00 0.00 H ATOM 1430 N LEU B 680 144.023 161.498 23.889 1.00 73.08 N ATOM 1431 CA LEU B 680 143.698 161.977 22.547 1.00 76.12 C ATOM 1432 C LEU B 680 142.723 163.145 22.565 1.00 81.98 C ATOM 1433 O LEU B 680 142.903 164.132 21.845 1.00 86.62 O ATOM 1434 CB LEU B 680 143.097 160.867 21.692 1.00 77.56 C ATOM 1435 CG LEU B 680 142.971 161.240 20.211 1.00 79.85 C ATOM 1436 CD1 LEU B 680 144.248 160.887 19.476 1.00 80.45 C ATOM 1437 CD2 LEU B 680 141.782 160.573 19.542 1.00 78.12 C ATOM 1438 H LEU B 680 143.757 160.529 24.158 1.00 0.00 H ATOM 1439 N GLU B 681 141.677 163.031 23.372 1.00 78.77 N ATOM 1440 CA GLU B 681 140.703 164.107 23.442 1.00 73.94 C ATOM 1441 C GLU B 681 141.305 165.364 24.065 1.00 84.81 C ATOM 1442 O GLU B 681 141.111 166.464 23.562 1.00 88.56 O ATOM 1443 CB GLU B 681 139.456 163.679 24.201 1.00 74.17 C ATOM 1444 CG GLU B 681 138.539 164.834 24.488 1.00 89.39 C ATOM 1445 CD GLU B 681 137.181 164.394 24.961 1.00 99.76 C ATOM 1446 OE1 GLU B 681 137.026 163.181 25.226 1.00101.12 O ATOM 1447 OE2 GLU B 681 136.277 165.260 25.062 1.00101.35 O ATOM 1448 H GLU B 681 141.554 162.176 23.952 1.00 0.00 H ATOM 1449 N GLN B 682 142.045 165.206 25.153 1.00 92.12 N ATOM 1450 CA GLN B 682 142.708 166.344 25.769 1.00 96.89 C ATOM 1451 C GLN B 682 143.502 167.155 24.747 1.00 93.24 C ATOM 1452 O GLN B 682 143.376 168.382 24.692 1.00102.35 O ATOM 1453 CB GLN B 682 143.638 165.882 26.885 1.00105.95 C ATOM 1454 CG GLN B 682 142.967 165.633 28.218 1.00113.79 C ATOM 1455 CD GLN B 682 143.963 165.165 29.272 1.00123.09 C ATOM 1456 OE1 GLN B 682 144.859 164.362 28.984 1.00121.67 O ATOM 1457 NE2 GLN B 682 143.821 165.675 30.493 1.00128.95 N ATOM 1458 HE22 GLN B 682 143.052 166.347 30.690 1.00 0.00 H ATOM 1459 HE21 GLN B 682 144.479 165.401 31.251 1.00 0.00 H ATOM 1460 H GLN B 682 142.152 164.259 25.570 1.00 0.00 H ATOM 1461 N GLU B 683 144.312 166.469 23.942 1.00 84.14 N ATOM 1462 CA GLU B 683 145.214 167.152 23.017 1.00 87.15 C ATOM 1463 C GLU B 683 144.544 167.637 21.749 1.00 80.05 C ATOM 1464 O GLU B 683 144.742 168.771 21.308 1.00 85.70 O ATOM 1465 CB GLU B 683 146.380 166.246 22.625 1.00 99.58 C ATOM 1466 CG GLU B 683 147.413 166.951 21.736 1.00114.71 C ATOM 1467 CD GLU B 683 148.668 166.116 21.478 1.00125.07 C ATOM 1468 OE1 GLU B 683 148.792 165.011 22.059 1.00127.16 O ATOM 1469 OE2 GLU B 683 149.533 166.569 20.691 1.00126.13 O ATOM 1470 H GLU B 683 144.302 165.429 23.972 1.00 0.00 H ATOM 1471 N PHE B 684 143.788 166.738 21.141 1.00 70.51 N ATOM 1472 CA PHE B 684 143.242 166.955 19.809 1.00 67.08 C ATOM 1473 C PHE B 684 141.787 167.422 19.716 1.00 66.54 C ATOM 1474 O PHE B 684 141.199 167.447 18.628 1.00 61.76 O ATOM 1475 CB PHE B 684 143.510 165.744 18.931 1.00 69.42 C ATOM 1476 CG PHE B 684 144.966 165.511 18.675 1.00 76.24 C ATOM 1477 CD1 PHE B 684 145.650 164.498 19.328 1.00 79.63 C ATOM 1478 CD2 PHE B 684 145.660 166.318 17.792 1.00 75.42 C ATOM 1479 CE1 PHE B 684 146.999 164.282 19.087 1.00 74.14 C ATOM 1480 CE2 PHE B 684 147.006 166.103 17.549 1.00 79.20 C ATOM 1481 CZ PHE B 684 147.676 165.083 18.196 1.00 72.42 C ATOM 1482 H PHE B 684 143.576 165.846 21.631 1.00 0.00 H ATOM 1483 N THR B 685 141.200 167.746 20.858 1.00 67.53 N ATOM 1484 CA THR B 685 139.789 168.064 20.904 1.00 69.64 C ATOM 1485 C THR B 685 139.359 169.108 19.872 1.00 74.99 C ATOM 1486 O THR B 685 138.283 168.992 19.280 1.00 72.81 O ATOM 1487 CB THR B 685 139.383 168.509 22.301 1.00 79.31 C ATOM 1488 OG1 THR B 685 138.001 168.874 22.287 1.00 84.94 O ATOM 1489 CG2 THR B 685 140.277 169.683 22.794 1.00 74.31 C ATOM 1490 HG1 THR B 685 137.863 169.615 21.646 1.00 0.00 H ATOM 1491 H THR B 685 141.761 167.772 21.734 1.00 0.00 H ATOM 1492 N GLU B 686 140.214 170.100 19.629 1.00 83.86 N ATOM 1493 CA GLU B 686 139.868 171.199 18.731 1.00 86.25 C ATOM 1494 C GLU B 686 139.854 170.777 17.270 1.00 84.90 C ATOM 1495 O GLU B 686 139.358 171.496 16.413 1.00 90.59 O ATOM 1496 CB GLU B 686 140.831 172.362 18.912 1.00 91.51 C ATOM 1497 CG GLU B 686 140.137 173.655 19.237 1.00108.80 C ATOM 1498 CD GLU B 686 140.831 174.850 18.609 1.00131.39 C ATOM 1499 OE1 GLU B 686 142.079 174.931 18.696 1.00135.50 O ATOM 1500 OE2 GLU B 686 140.126 175.705 18.021 1.00140.25 O ATOM 1501 H GLU B 686 141.147 170.092 20.088 1.00 0.00 H ATOM 1502 N CYS B 687 140.422 169.613 16.991 1.00 79.75 N ATOM 1503 CA CYS B 687 140.492 169.100 15.630 1.00 76.84 C ATOM 1504 C CYS B 687 139.255 168.288 15.210 1.00 77.03 C ATOM 1505 O CYS B 687 139.025 168.064 14.016 1.00 74.76 O ATOM 1506 CB CYS B 687 141.768 168.256 15.463 1.00 65.80 C ATOM 1507 SG CYS B 687 143.284 169.215 15.682 1.00122.56 S ATOM 1508 H CYS B 687 140.829 169.050 17.765 1.00 0.00 H ATOM 1509 N PHE B 688 138.451 167.860 16.179 1.00 75.56 N ATOM 1510 CA PHE B 688 137.356 166.946 15.866 1.00 74.77 C ATOM 1511 C PHE B 688 136.210 167.679 15.205 1.00 78.47 C ATOM 1512 O PHE B 688 135.639 168.612 15.774 1.00 79.86 O ATOM 1513 CB PHE B 688 136.819 166.258 17.120 1.00 78.96 C ATOM 1514 CG PHE B 688 137.856 165.495 17.892 1.00 83.64 C ATOM 1515 CD1 PHE B 688 137.856 165.511 19.280 1.00 88.17 C ATOM 1516 CD2 PHE B 688 138.823 164.751 17.238 1.00 81.28 C ATOM 1517 CE1 PHE B 688 138.809 164.811 20.000 1.00 89.42 C ATOM 1518 CE2 PHE B 688 139.771 164.051 17.950 1.00 82.09 C ATOM 1519 CZ PHE B 688 139.766 164.084 19.334 1.00 87.78 C ATOM 1520 H PHE B 688 138.602 168.176 17.158 1.00 0.00 H ATOM 1521 N SER B 689 135.864 167.237 14.004 1.00 71.65 N ATOM 1522 CA SER B 689 134.659 167.710 13.349 1.00 62.37 C ATOM 1523 C SER B 689 133.439 167.261 14.163 1.00 67.76 C ATOM 1524 O SER B 689 132.450 167.979 14.277 1.00 77.39 O ATOM 1525 CB SER B 689 134.607 167.179 11.913 1.00 60.28 C ATOM 1526 OG SER B 689 135.832 167.448 11.230 1.00 62.98 O ATOM 1527 HG SER B 689 135.777 167.097 10.306 1.00 0.00 H ATOM 1528 H SER B 689 136.467 166.539 13.523 1.00 0.00 H ATOM 1529 N ALA B 690 133.526 166.076 14.753 1.00 74.10 N ATOM 1530 CA ALA B 690 132.439 165.560 15.567 1.00 71.18 C ATOM 1531 C ALA B 690 132.890 164.486 16.564 1.00 71.20 C ATOM 1532 O ALA B 690 133.913 163.831 16.378 1.00 72.73 O ATOM 1533 CB ALA B 690 131.343 165.020 14.675 1.00 64.74 C ATOM 1534 H ALA B 690 134.388 165.506 14.631 1.00 0.00 H ATOM 1535 N ILE B 691 132.087 164.307 17.607 1.00 74.90 N ATOM 1536 CA ILE B 691 132.317 163.310 18.638 1.00 73.54 C ATOM 1537 C ILE B 691 131.057 162.469 18.819 1.00 77.23 C ATOM 1538 O ILE B 691 129.966 163.012 19.015 1.00 78.85 O ATOM 1539 CB ILE B 691 132.643 163.980 19.987 1.00 76.78 C ATOM 1540 CG1 ILE B 691 134.002 164.682 19.920 1.00 75.73 C ATOM 1541 CG2 ILE B 691 132.616 162.958 21.124 1.00 74.10 C ATOM 1542 CD1 ILE B 691 134.380 165.384 21.203 1.00 76.54 C ATOM 1543 H ILE B 691 131.247 164.915 17.690 1.00 0.00 H ATOM 1544 N VAL B 692 131.215 161.147 18.749 1.00 77.95 N ATOM 1545 CA VAL B 692 130.114 160.209 18.931 1.00 72.08 C ATOM 1546 C VAL B 692 130.310 159.344 20.177 1.00 82.80 C ATOM 1547 O VAL B 692 131.437 159.116 20.613 1.00 81.60 O ATOM 1548 CB VAL B 692 129.986 159.281 17.724 1.00 64.71 C ATOM 1549 CG1 VAL B 692 129.608 160.072 16.492 1.00 65.55 C ATOM 1550 CG2 VAL B 692 131.296 158.551 17.489 1.00 65.43 C ATOM 1551 H VAL B 692 132.164 160.769 18.556 1.00 0.00 H ATOM 1552 N GLU B 693 129.198 158.887 20.749 1.00 93.48 N ATOM 1553 CA GLU B 693 129.199 157.928 21.851 1.00 91.93 C ATOM 1554 C GLU B 693 128.139 156.870 21.570 1.00 97.99 C ATOM 1555 O GLU B 693 127.282 157.056 20.699 1.00 94.78 O ATOM 1556 CB GLU B 693 128.877 158.617 23.174 1.00 87.14 C ATOM 1557 CG GLU B 693 129.854 159.705 23.573 1.00 90.13 C ATOM 1558 CD GLU B 693 129.560 160.258 24.957 1.00105.34 C ATOM 1559 OE1 GLU B 693 128.393 160.628 25.217 1.00112.37 O ATOM 1560 OE2 GLU B 693 130.487 160.312 25.792 1.00108.95 O ATOM 1561 H GLU B 693 128.283 159.230 20.393 1.00 0.00 H ATOM 1562 N GLY B 694 128.182 155.765 22.310 1.00102.56 N ATOM 1563 CA GLY B 694 127.158 154.745 22.171 1.00107.49 C ATOM 1564 C GLY B 694 127.304 153.542 23.083 1.00116.20 C ATOM 1565 O GLY B 694 128.385 153.267 23.608 1.00119.74 O ATOM 1566 H GLY B 694 128.955 155.631 22.993 1.00 0.00 H ATOM 1567 N ASP B 695 126.201 152.825 23.276 1.00119.60 N ATOM 1568 CA ASP B 695 126.208 151.584 24.043 1.00120.43 C ATOM 1569 C ASP B 695 126.695 150.408 23.209 1.00113.53 C ATOM 1570 O ASP B 695 127.409 149.538 23.702 1.00118.35 O ATOM 1571 CB ASP B 695 124.818 151.295 24.603 1.00126.11 C ATOM 1572 CG ASP B 695 124.442 152.237 25.720 1.00128.72 C ATOM 1573 OD1 ASP B 695 125.347 152.639 26.482 1.00128.65 O ATOM 1574 OD2 ASP B 695 123.246 152.577 25.835 1.00130.76 O ATOM 1575 H ASP B 695 125.305 153.159 22.867 1.00 0.00 H ATOM 1576 N SER B 696 126.295 150.386 21.944 1.00103.70 N ATOM 1577 CA SER B 696 126.702 149.334 21.024 1.00 99.91 C ATOM 1578 C SER B 696 127.421 149.933 19.826 1.00 95.31 C ATOM 1579 O SER B 696 127.116 151.063 19.418 1.00 89.98 O ATOM 1580 CB SER B 696 125.479 148.546 20.550 1.00 99.88 C ATOM 1581 OG SER B 696 124.409 149.413 20.198 1.00 97.50 O ATOM 1582 HG SER B 696 123.635 148.874 19.896 1.00 0.00 H ATOM 1583 H SER B 696 125.672 151.144 21.599 1.00 0.00 H ATOM 1584 N PHE B 697 128.367 149.180 19.261 1.00 90.43 N ATOM 1585 CA PHE B 697 129.016 149.597 18.018 1.00 88.29 C ATOM 1586 C PHE B 697 127.988 149.918 16.929 1.00 95.03 C ATOM 1587 O PHE B 697 128.135 150.889 16.184 1.00100.96 O ATOM 1588 CB PHE B 697 130.000 148.539 17.508 1.00 86.68 C ATOM 1589 CG PHE B 697 130.416 148.745 16.075 1.00 93.17 C ATOM 1590 CD1 PHE B 697 131.127 149.871 15.699 1.00 94.40 C ATOM 1591 CD2 PHE B 697 130.073 147.832 15.095 1.00102.23 C ATOM 1592 CE1 PHE B 697 131.511 150.076 14.364 1.00 96.56 C ATOM 1593 CE2 PHE B 697 130.447 148.035 13.759 1.00103.41 C ATOM 1594 CZ PHE B 697 131.171 149.154 13.398 1.00 99.20 C ATOM 1595 H PHE B 697 128.647 148.285 19.710 1.00 0.00 H ATOM 1596 N GLU B 698 126.944 149.102 16.847 1.00 99.27 N ATOM 1597 CA GLU B 698 125.913 149.288 15.835 1.00 99.40 C ATOM 1598 C GLU B 698 125.315 150.691 15.946 1.00 97.67 C ATOM 1599 O GLU B 698 125.195 151.402 14.944 1.00 92.21 O ATOM 1600 CB GLU B 698 124.851 148.190 15.940 1.00100.74 C ATOM 1601 CG GLU B 698 125.424 146.770 15.745 1.00113.29 C ATOM 1602 CD GLU B 698 126.154 146.208 16.986 1.00127.53 C ATOM 1603 OE1 GLU B 698 125.655 146.410 18.117 1.00134.39 O ATOM 1604 OE2 GLU B 698 127.223 145.560 16.836 1.00127.58 O ATOM 1605 H GLU B 698 126.861 148.313 17.520 1.00 0.00 H ATOM 1606 N GLU B 699 124.996 151.099 17.171 1.00101.25 N ATOM 1607 CA GLU B 699 124.484 152.443 17.427 1.00103.58 C ATOM 1608 C GLU B 699 125.462 153.485 16.913 1.00 99.83 C ATOM 1609 O GLU B 699 125.080 154.490 16.313 1.00103.84 O ATOM 1610 CB GLU B 699 124.258 152.654 18.926 1.00110.49 C ATOM 1611 CG GLU B 699 124.003 154.112 19.308 1.00115.97 C ATOM 1612 CD GLU B 699 123.844 154.324 20.812 1.00123.87 C ATOM 1613 OE1 GLU B 699 123.784 153.318 21.564 1.00127.11 O ATOM 1614 OE2 GLU B 699 123.777 155.505 21.236 1.00122.46 O ATOM 1615 H GLU B 699 125.114 150.443 17.969 1.00 0.00 H ATOM 1616 N ILE B 700 126.738 153.221 17.149 1.00 90.22 N ATOM 1617 CA ILE B 700 127.794 154.148 16.800 1.00 76.82 C ATOM 1618 C ILE B 700 128.011 154.241 15.298 1.00 71.30 C ATOM 1619 O ILE B 700 128.153 155.340 14.761 1.00 73.26 O ATOM 1620 CB ILE B 700 129.083 153.733 17.489 1.00 80.97 C ATOM 1621 CG1 ILE B 700 128.994 154.089 18.971 1.00 87.33 C ATOM 1622 CG2 ILE B 700 130.286 154.383 16.827 1.00 77.53 C ATOM 1623 CD1 ILE B 700 130.264 153.836 19.705 1.00 90.36 C ATOM 1624 H ILE B 700 126.990 152.318 17.600 1.00 0.00 H ATOM 1625 N TYR B 701 128.033 153.090 14.626 1.00 71.26 N ATOM 1626 CA TYR B 701 128.115 153.049 13.161 1.00 75.34 C ATOM 1627 C TYR B 701 127.001 153.900 12.561 1.00 77.42 C ATOM 1628 O TYR B 701 127.234 154.718 11.669 1.00 80.02 O ATOM 1629 CB TYR B 701 128.012 151.609 12.644 1.00 78.30 C ATOM 1630 CG TYR B 701 128.367 151.454 11.177 1.00 80.89 C ATOM 1631 CD1 TYR B 701 129.641 151.749 10.716 1.00 80.41 C ATOM 1632 CD2 TYR B 701 127.434 150.999 10.256 1.00 88.73 C ATOM 1633 CE1 TYR B 701 129.982 151.602 9.374 1.00 83.43 C ATOM 1634 CE2 TYR B 701 127.767 150.850 8.907 1.00 94.19 C ATOM 1635 CZ TYR B 701 129.046 151.152 8.473 1.00 91.90 C ATOM 1636 OH TYR B 701 129.391 151.007 7.138 1.00 94.81 O ATOM 1637 HH TYR B 701 129.268 150.063 6.867 1.00 0.00 H ATOM 1638 H TYR B 701 127.991 152.195 15.155 1.00 0.00 H ATOM 1639 N HIS B 702 125.793 153.711 13.078 1.00 78.85 N ATOM 1640 CA HIS B 702 124.663 154.520 12.666 1.00 87.25 C ATOM 1641 C HIS B 702 124.971 156.003 12.833 1.00 85.25 C ATOM 1642 O HIS B 702 124.690 156.805 11.940 1.00 84.50 O ATOM 1643 CB HIS B 702 123.415 154.154 13.470 1.00 95.71 C ATOM 1644 CG HIS B 702 122.243 155.045 13.199 1.00102.20 C ATOM 1645 ND1 HIS B 702 121.671 155.164 11.950 1.00107.07 N ATOM 1646 CD2 HIS B 702 121.542 155.870 14.014 1.00105.82 C ATOM 1647 CE1 HIS B 702 120.665 156.020 12.008 1.00112.22 C ATOM 1648 NE2 HIS B 702 120.564 156.461 13.250 1.00111.67 N ATOM 1649 H HIS B 702 125.655 152.968 13.793 1.00 0.00 H ATOM 1650 N LYS B 703 125.556 156.357 13.975 1.00 81.99 N ATOM 1651 CA LYS B 703 125.850 157.756 14.284 1.00 79.14 C ATOM 1652 C LYS B 703 126.917 158.300 13.345 1.00 78.95 C ATOM 1653 O LYS B 703 126.804 159.424 12.845 1.00 81.64 O ATOM 1654 CB LYS B 703 126.303 157.925 15.742 1.00 76.56 C ATOM 1655 CG LYS B 703 125.170 158.013 16.769 1.00 79.33 C ATOM 1656 CD LYS B 703 125.713 158.340 18.161 1.00 83.43 C ATOM 1657 CE LYS B 703 124.603 158.416 19.200 1.00 92.88 C ATOM 1658 NZ LYS B 703 125.133 158.692 20.569 1.00100.11 N ATOM 1659 HZ1 LYS B 703 125.786 157.931 20.847 1.00 0.00 H ATOM 1660 HZ2 LYS B 703 125.638 159.601 20.567 1.00 0.00 H ATOM 1661 HZ3 LYS B 703 124.342 158.735 21.243 1.00 0.00 H ATOM 1662 H LYS B 703 125.810 155.621 14.664 1.00 0.00 H ATOM 1663 N VAL B 704 127.950 157.494 13.113 1.00 74.20 N ATOM 1664 CA VAL B 704 129.043 157.880 12.234 1.00 69.02 C ATOM 1665 C VAL B 704 128.510 158.073 10.846 1.00 70.55 C ATOM 1666 O VAL B 704 128.847 159.054 10.172 1.00 72.91 O ATOM 1667 CB VAL B 704 130.113 156.804 12.171 1.00 71.75 C ATOM 1668 CG1 VAL B 704 131.097 157.109 11.044 1.00 69.40 C ATOM 1669 CG2 VAL B 704 130.819 156.710 13.502 1.00 69.75 C ATOM 1670 H VAL B 704 127.977 156.562 13.573 1.00 0.00 H ATOM 1671 N LYS B 705 127.657 157.139 10.428 1.00 69.03 N ATOM 1672 CA LYS B 705 126.939 157.296 9.172 1.00 72.73 C ATOM 1673 C LYS B 705 126.224 158.672 9.061 1.00 75.66 C ATOM 1674 O LYS B 705 126.451 159.395 8.089 1.00 72.04 O ATOM 1675 CB LYS B 705 125.968 156.137 8.941 1.00 73.73 C ATOM 1676 CG LYS B 705 126.636 154.840 8.506 1.00 80.26 C ATOM 1677 CD LYS B 705 125.682 153.936 7.689 1.00 88.58 C ATOM 1678 CE LYS B 705 125.022 152.817 8.516 1.00 88.38 C ATOM 1679 NZ LYS B 705 123.662 153.174 9.032 1.00 90.69 N ATOM 1680 HZ1 LYS B 705 123.734 154.012 9.644 1.00 0.00 H ATOM 1681 HZ2 LYS B 705 123.032 153.381 8.231 1.00 0.00 H ATOM 1682 HZ3 LYS B 705 123.279 152.376 9.578 1.00 0.00 H ATOM 1683 H LYS B 705 127.502 156.288 11.006 1.00 0.00 H ATOM 1684 N ARG B 706 125.396 159.038 10.048 1.00 74.51 N ATOM 1685 CA ARG B 706 124.626 160.289 9.984 1.00 72.49 C ATOM 1686 C ARG B 706 125.567 161.441 9.788 1.00 72.36 C ATOM 1687 O ARG B 706 125.381 162.245 8.879 1.00 73.12 O ATOM 1688 CB ARG B 706 123.827 160.570 11.268 1.00 77.55 C ATOM 1689 CG ARG B 706 122.615 159.712 11.499 1.00 88.68 C ATOM 1690 CD ARG B 706 121.339 160.539 11.616 1.00 95.65 C ATOM 1691 NE ARG B 706 121.439 161.660 12.550 1.00 96.71 N ATOM 1692 CZ ARG B 706 120.384 162.336 13.012 1.00100.49 C ATOM 1693 NH1 ARG B 706 119.156 161.985 12.637 1.00 98.99 N ATOM 1694 NH2 ARG B 706 120.546 163.357 13.854 1.00 98.15 N ATOM 1695 HE ARG B 706 122.385 161.947 12.873 1.00 0.00 H ATOM 1696 HH12 ARG B 706 118.333 162.510 12.995 1.00 0.00 H ATOM 1697 HH11 ARG B 706 119.020 161.186 11.986 1.00 0.00 H ATOM 1698 HH22 ARG B 706 119.717 163.876 14.207 1.00 0.00 H ATOM 1699 HH21 ARG B 706 121.501 163.634 14.157 1.00 0.00 H ATOM 1700 H ARG B 706 125.295 158.422 10.880 1.00 0.00 H ATOM 1701 N VAL B 707 126.577 161.520 10.653 1.00 74.66 N ATOM 1702 CA VAL B 707 127.504 162.652 10.643 1.00 72.58 C ATOM 1703 C VAL B 707 128.068 162.873 9.242 1.00 67.18 C ATOM 1704 O VAL B 707 127.970 163.972 8.687 1.00 71.26 O ATOM 1705 CB VAL B 707 128.652 162.462 11.650 1.00 65.61 C ATOM 1706 CG1 VAL B 707 129.768 163.426 11.356 1.00 60.66 C ATOM 1707 CG2 VAL B 707 128.149 162.637 13.079 1.00 61.96 C ATOM 1708 H VAL B 707 126.710 160.760 11.351 1.00 0.00 H ATOM 1709 N ILE B 708 128.609 161.811 8.659 1.00 58.39 N ATOM 1710 CA ILE B 708 129.050 161.859 7.266 1.00 65.99 C ATOM 1711 C ILE B 708 127.993 162.344 6.239 1.00 70.28 C ATOM 1712 O ILE B 708 128.325 163.143 5.362 1.00 78.62 O ATOM 1713 CB ILE B 708 129.645 160.510 6.829 1.00 66.91 C ATOM 1714 CG1 ILE B 708 130.744 160.092 7.815 1.00 65.94 C ATOM 1715 CG2 ILE B 708 130.191 160.612 5.409 1.00 59.85 C ATOM 1716 CD1 ILE B 708 131.345 158.742 7.561 1.00 62.62 C ATOM 1717 H ILE B 708 128.721 160.931 9.201 1.00 0.00 H ATOM 1718 N GLU B 709 126.744 161.873 6.337 1.00 68.06 N ATOM 1719 CA GLU B 709 125.689 162.321 5.419 1.00 69.23 C ATOM 1720 C GLU B 709 125.521 163.813 5.595 1.00 71.72 C ATOM 1721 O GLU B 709 125.501 164.556 4.625 1.00 80.11 O ATOM 1722 CB GLU B 709 124.354 161.598 5.656 1.00 72.59 C ATOM 1723 H GLU B 709 126.517 161.178 7.076 1.00 0.00 H ATOM 1724 N ASP B 710 125.461 164.245 6.851 1.00 72.71 N ATOM 1725 CA ASP B 710 125.287 165.653 7.208 1.00 73.13 C ATOM 1726 C ASP B 710 126.366 166.578 6.637 1.00 77.79 C ATOM 1727 O ASP B 710 126.159 167.783 6.504 1.00 87.60 O ATOM 1728 CB ASP B 710 125.257 165.798 8.733 1.00 80.05 C ATOM 1729 CG ASP B 710 124.014 165.169 9.366 1.00 93.93 C ATOM 1730 OD1 ASP B 710 123.483 164.163 8.838 1.00 93.10 O ATOM 1731 OD2 ASP B 710 123.557 165.698 10.402 1.00104.05 O ATOM 1732 H ASP B 710 125.542 163.547 7.618 1.00 0.00 H ATOM 1733 N LEU B 711 127.531 166.037 6.313 1.00 73.04 N ATOM 1734 CA LEU B 711 128.568 166.898 5.781 1.00 78.46 C ATOM 1735 C LEU B 711 128.885 166.503 4.339 1.00 84.40 C ATOM 1736 O LEU B 711 129.607 165.537 4.096 1.00 80.13 O ATOM 1737 CB LEU B 711 129.811 166.786 6.671 1.00 77.87 C ATOM 1738 CG LEU B 711 129.583 166.726 8.201 1.00 75.09 C ATOM 1739 CD1 LEU B 711 130.899 166.792 8.956 1.00 75.07 C ATOM 1740 CD2 LEU B 711 128.655 167.817 8.729 1.00 69.66 C ATOM 1741 H LEU B 711 127.697 165.018 6.438 1.00 0.00 H ATOM 1742 N SER B 712 128.405 167.296 3.383 1.00 97.35 N ATOM 1743 CA SER B 712 128.487 166.928 1.967 1.00 95.11 C ATOM 1744 C SER B 712 127.999 168.047 1.055 1.00101.19 C ATOM 1745 O SER B 712 126.900 168.579 1.243 1.00103.70 O ATOM 1746 CB SER B 712 127.679 165.655 1.701 1.00 91.60 C ATOM 1747 OG SER B 712 128.233 164.540 2.398 1.00 90.92 O ATOM 1748 HG SER B 712 128.225 164.723 3.371 1.00 0.00 H ATOM 1749 H SER B 712 127.961 168.198 3.648 1.00 0.00 H TER 1750 SER B 712 HETATM 1751 O HOH 1 118.995 158.834 13.377 1.00 74.63 O HETATM 1752 O HOH 2 151.108 143.718 -1.800 1.00 49.55 O HETATM 1753 O HOH 3 139.232 151.119 -2.532 1.00 64.43 O HETATM 1754 O HOH 4 151.599 143.323 1.097 1.00 46.70 O HETATM 1755 N LYS A 5 141.871 140.616 -5.229 1.00 0.24 N HETATM 1756 CA LYS A 5 142.840 140.831 -6.301 1.00 0.07 C HETATM 1757 C LYS A 5 143.689 142.057 -5.981 1.00 0.23 C HETATM 1758 O LYS A 5 144.888 142.085 -6.252 1.00 -0.39 O HETATM 1759 N LYS A 5 143.054 143.077 -5.414 1.00 -0.26 N HETATM 1760 CA LYS A 5 143.772 144.246 -4.938 1.00 0.13 C HETATM 1761 C LYS A 5 144.549 143.791 -3.707 1.00 0.20 C HETATM 1762 O LYS A 5 144.064 142.953 -2.938 1.00 -0.39 O HETATM 1763 N LYS A 5 145.752 144.323 -3.524 1.00 -0.26 N HETATM 1764 CA LYS A 5 146.591 143.932 -2.402 1.00 0.15 C HETATM 1765 C LYS A 5 145.919 144.233 -1.060 1.00 0.21 C HETATM 1766 O LYS A 5 145.107 145.141 -0.957 1.00 -0.39 O HETATM 1767 N LYS A 5 146.230 143.445 -0.042 1.00 -0.26 N HETATM 1768 CA LYS A 5 145.743 143.722 1.303 1.00 0.13 C HETATM 1769 C LYS A 5 146.609 144.755 2.042 1.00 0.20 C HETATM 1770 O LYS A 5 146.293 145.134 3.176 1.00 -0.39 O HETATM 1771 N LYS A 5 147.720 145.158 1.437 1.00 -0.26 N HETATM 1772 CA LYS A 5 148.621 146.134 2.055 1.00 0.13 C HETATM 1773 C LYS A 5 148.875 145.890 3.542 1.00 0.20 C HETATM 1774 O LYS A 5 148.718 146.807 4.341 1.00 -0.39 O HETATM 1775 N LYS A 5 149.239 144.670 3.922 1.00 -0.26 N HETATM 1776 CA LYS A 5 149.395 144.361 5.340 1.00 0.13 C HETATM 1777 C LYS A 5 150.534 145.127 5.990 1.00 0.20 C HETATM 1778 O LYS A 5 150.458 145.458 7.167 1.00 -0.39 O HETATM 1779 N LYS A 5 151.590 145.392 5.225 1.00 -0.26 N HETATM 1780 CA LYS A 5 152.738 146.144 5.724 1.00 0.16 C HETATM 1781 CB LYS A 5 153.718 146.411 4.593 1.00 0.12 C HETATM 1782 OG LYS A 5 154.399 145.244 4.217 1.00 -0.27 O HETATM 1783 P LYS A 5 153.972 144.851 2.711 1.00 0.20 P HETATM 1784 O1P LYS A 5 154.915 145.695 1.724 1.00 -0.55 O HETATM 1785 O2P LYS A 5 152.443 145.289 2.448 1.00 -0.55 O HETATM 1786 O3P LYS A 5 154.176 143.263 2.523 1.00 -0.55 O HETATM 1787 H LYS A 5 154.451 147.161 4.925 1.00 0.07 H HETATM 1788 H LYS A 5 153.165 146.798 3.724 1.00 0.07 H HETATM 1789 C LYS A 5 152.249 147.491 6.216 1.00 0.21 C HETATM 1790 O LYS A 5 152.624 147.990 7.283 1.00 -0.39 O HETATM 1791 N LYS A 5 151.386 148.077 5.410 1.00 -0.26 N HETATM 1792 CA LYS A 5 150.947 149.418 5.674 1.00 0.14 C HETATM 1793 C LYS A 5 150.101 149.484 6.946 1.00 0.21 C HETATM 1794 O LYS A 5 150.340 150.328 7.803 1.00 -0.39 O HETATM 1795 N LYS A 5 149.125 148.593 7.081 1.00 -0.26 N HETATM 1796 CA LYS A 5 148.314 148.601 8.291 1.00 0.13 C HETATM 1797 C LYS A 5 149.203 148.292 9.475 1.00 0.20 C HETATM 1798 O LYS A 5 149.004 148.805 10.575 1.00 -0.39 O HETATM 1799 N LYS A 5 150.198 147.455 9.239 1.00 -0.26 N HETATM 1800 CA LYS A 5 151.047 147.014 10.324 1.00 0.13 C HETATM 1801 C LYS A 5 151.956 148.114 10.798 1.00 0.20 C HETATM 1802 O LYS A 5 152.411 148.086 11.940 1.00 -0.39 O HETATM 1803 N LYS A 5 152.227 149.075 9.918 1.00 -0.26 N HETATM 1804 CA LYS A 5 153.177 150.134 10.218 1.00 0.13 C HETATM 1805 C LYS A 5 152.811 150.921 11.495 1.00 0.20 C HETATM 1806 O LYS A 5 151.639 151.260 11.719 1.00 -0.39 O HETATM 1807 N LYS A 5 153.820 151.190 12.329 1.00 -0.27 N HETATM 1808 CA LYS A 5 153.634 151.899 13.597 1.00 0.12 C HETATM 1809 C LYS A 5 153.348 153.371 13.339 1.00 0.21 C HETATM 1810 O LYS A 5 154.049 154.011 12.556 1.00 -0.41 O HETATM 1811 O1 LYS A 5 152.389 153.937 13.930 1.00 -0.41 O HETATM 1812 CB LYS A 5 154.871 151.759 14.499 1.00 -0.03 C HETATM 1813 H LYS A 5 154.701 152.301 15.441 1.00 0.03 H HETATM 1814 H LYS A 5 155.748 152.181 13.987 1.00 0.03 H HETATM 1815 H LYS A 5 155.049 150.695 14.715 1.00 0.03 H HETATM 1816 H LYS A 5 152.771 151.458 14.118 1.00 0.07 H HETATM 1817 H LYS A 5 154.741 150.895 12.076 1.00 0.19 H HETATM 1818 CB LYS A 5 153.311 151.071 9.014 1.00 -0.00 C HETATM 1819 CG LYS A 5 154.462 152.061 9.143 1.00 -0.00 C HETATM 1820 SD LYS A 5 154.395 153.271 7.839 1.00 -0.16 S HETATM 1821 CE LYS A 5 152.860 154.131 8.216 1.00 -0.02 C HETATM 1822 H LYS A 5 152.691 154.923 7.472 1.00 0.03 H HETATM 1823 H LYS A 5 152.927 154.578 9.219 1.00 0.03 H HETATM 1824 H LYS A 5 152.023 153.417 8.188 1.00 0.03 H HETATM 1825 H LYS A 5 155.416 151.517 9.083 1.00 0.04 H HETATM 1826 H LYS A 5 154.392 152.572 10.115 1.00 0.04 H HETATM 1827 H LYS A 5 152.374 151.637 8.907 1.00 0.03 H HETATM 1828 H LYS A 5 153.475 150.461 8.114 1.00 0.03 H HETATM 1829 H LYS A 5 154.156 149.663 10.392 1.00 0.08 H HETATM 1830 H LYS A 5 151.767 149.069 9.030 1.00 0.19 H HETATM 1831 CB LYS A 5 151.886 145.820 9.910 1.00 -0.01 C HETATM 1832 CG LYS A 5 151.928 144.847 11.022 1.00 -0.02 C HETATM 1833 CD LYS A 5 152.437 143.524 10.592 1.00 0.06 C HETATM 1834 NE LYS A 5 152.547 142.644 11.750 1.00 -0.27 N HETATM 1835 CZ LYS A 5 151.507 142.064 12.341 1.00 0.29 C HETATM 1836 NH1 LYS A 5 150.273 142.270 11.877 1.00 -0.28 N HETATM 1837 H LYS A 5 149.468 141.820 12.336 1.00 0.26 H HETATM 1838 H LYS A 5 150.125 142.879 11.060 1.00 0.26 H HETATM 1839 NH2 LYS A 5 151.704 141.276 13.393 1.00 -0.28 N HETATM 1840 H LYS A 5 152.658 141.120 13.748 1.00 0.26 H HETATM 1841 H LYS A 5 150.903 140.822 13.853 1.00 0.26 H HETATM 1842 H LYS A 5 153.486 142.461 12.132 1.00 0.26 H HETATM 1843 H LYS A 5 153.427 143.645 10.129 1.00 0.07 H HETATM 1844 H LYS A 5 151.742 143.084 9.862 1.00 0.07 H HETATM 1845 H LYS A 5 150.911 144.722 11.421 1.00 0.03 H HETATM 1846 H LYS A 5 152.586 145.240 11.811 1.00 0.03 H HETATM 1847 H LYS A 5 152.907 146.152 9.673 1.00 0.03 H HETATM 1848 H LYS A 5 151.440 145.346 9.023 1.00 0.03 H HETATM 1849 H LYS A 5 150.400 146.713 11.161 1.00 0.08 H HETATM 1850 H LYS A 5 150.364 147.126 8.309 1.00 0.19 H HETATM 1851 CB LYS A 5 147.179 147.573 8.240 1.00 -0.01 C HETATM 1852 CG LYS A 5 147.032 146.831 6.937 1.00 -0.02 C HETATM 1853 CD LYS A 5 146.008 145.700 7.059 1.00 0.06 C HETATM 1854 NE LYS A 5 144.677 146.134 6.649 1.00 -0.27 N HETATM 1855 CZ LYS A 5 143.788 146.690 7.467 1.00 0.29 C HETATM 1856 NH1 LYS A 5 144.086 146.879 8.747 1.00 -0.28 N HETATM 1857 H LYS A 5 143.396 147.310 9.378 1.00 0.26 H HETATM 1858 H LYS A 5 145.008 146.595 9.109 1.00 0.26 H HETATM 1859 NH2 LYS A 5 142.601 147.057 7.006 1.00 -0.28 N HETATM 1860 H LYS A 5 142.367 146.912 6.014 1.00 0.26 H HETATM 1861 H LYS A 5 141.913 147.487 7.640 1.00 0.26 H HETATM 1862 H LYS A 5 144.409 146.001 5.663 1.00 0.26 H HETATM 1863 H LYS A 5 145.968 145.366 8.106 1.00 0.07 H HETATM 1864 H LYS A 5 146.323 144.863 6.419 1.00 0.07 H HETATM 1865 H LYS A 5 148.006 146.405 6.654 1.00 0.03 H HETATM 1866 H LYS A 5 146.700 147.534 6.159 1.00 0.03 H HETATM 1867 H LYS A 5 146.234 148.101 8.437 1.00 0.03 H HETATM 1868 H LYS A 5 147.357 146.832 9.033 1.00 0.03 H HETATM 1869 H LYS A 5 147.876 149.602 8.415 1.00 0.08 H HETATM 1870 H LYS A 5 148.949 147.924 6.359 1.00 0.19 H HETATM 1871 CB LYS A 5 150.187 149.958 4.476 1.00 0.02 C HETATM 1872 CG LYS A 5 149.776 151.372 4.638 1.00 -0.04 C HETATM 1873 CD1 LYS A 5 150.726 152.372 4.642 1.00 -0.06 C HETATM 1874 CE1 LYS A 5 150.358 153.692 4.796 1.00 -0.07 C HETATM 1875 CZ LYS A 5 149.030 154.013 4.957 1.00 -0.07 C HETATM 1876 CE2 LYS A 5 148.070 153.015 4.962 1.00 -0.07 C HETATM 1877 CD2 LYS A 5 148.443 151.707 4.804 1.00 -0.06 C HETATM 1878 H LYS A 5 147.689 150.928 4.809 1.00 0.06 H HETATM 1879 H LYS A 5 147.024 153.269 5.091 1.00 0.06 H HETATM 1880 H LYS A 5 148.735 155.049 5.080 1.00 0.06 H HETATM 1881 H LYS A 5 151.111 154.472 4.790 1.00 0.06 H HETATM 1882 H LYS A 5 151.773 152.118 4.523 1.00 0.06 H HETATM 1883 H LYS A 5 149.285 149.346 4.329 1.00 0.05 H HETATM 1884 H LYS A 5 150.832 149.880 3.588 1.00 0.05 H HETATM 1885 H LYS A 5 151.837 150.046 5.827 1.00 0.08 H HETATM 1886 H LYS A 5 151.036 147.586 4.612 1.00 0.19 H HETATM 1887 H LYS A 5 153.231 145.589 6.535 1.00 0.08 H HETATM 1888 H LYS A 5 151.598 145.066 4.280 1.00 0.19 H HETATM 1889 CB LYS A 5 149.590 142.867 5.568 1.00 0.00 C HETATM 1890 CG LYS A 5 148.422 142.010 5.141 1.00 0.04 C HETATM 1891 CD LYS A 5 148.722 141.236 3.880 1.00 0.17 C HETATM 1892 OE1 LYS A 5 149.134 141.814 2.837 1.00 -0.40 O HETATM 1893 NE2 LYS A 5 148.540 139.910 3.961 1.00 -0.30 N HETATM 1894 H LYS A 5 148.719 139.331 3.165 1.00 0.18 H HETATM 1895 H LYS A 5 148.226 139.500 4.817 1.00 0.18 H HETATM 1896 H LYS A 5 147.552 142.659 4.961 1.00 0.05 H HETATM 1897 H LYS A 5 148.189 141.299 5.947 1.00 0.05 H HETATM 1898 H LYS A 5 149.762 142.703 6.642 1.00 0.03 H HETATM 1899 H LYS A 5 150.477 142.546 5.002 1.00 0.03 H HETATM 1900 H LYS A 5 148.464 144.660 5.843 1.00 0.08 H HETATM 1901 H LYS A 5 149.406 143.962 3.236 1.00 0.19 H HETATM 1902 CB LYS A 5 148.084 147.555 1.862 1.00 -0.01 C HETATM 1903 CG LYS A 5 147.813 147.917 0.408 1.00 -0.02 C HETATM 1904 CD LYS A 5 147.044 149.210 0.291 1.00 0.06 C HETATM 1905 NE LYS A 5 146.721 149.525 -1.097 1.00 -0.27 N HETATM 1906 CZ LYS A 5 145.600 150.137 -1.464 1.00 0.29 C HETATM 1907 NH1 LYS A 5 144.712 150.485 -0.544 1.00 -0.28 N HETATM 1908 H LYS A 5 143.841 150.960 -0.822 1.00 0.26 H HETATM 1909 H LYS A 5 144.893 150.281 0.449 1.00 0.26 H HETATM 1910 NH2 LYS A 5 145.358 150.397 -2.738 1.00 -0.28 N HETATM 1911 H LYS A 5 146.044 150.129 -3.458 1.00 0.26 H HETATM 1912 H LYS A 5 144.483 150.868 -3.010 1.00 0.26 H HETATM 1913 H LYS A 5 147.396 149.260 -1.829 1.00 0.26 H HETATM 1914 H LYS A 5 147.653 150.025 0.709 1.00 0.07 H HETATM 1915 H LYS A 5 146.108 149.121 0.863 1.00 0.07 H HETATM 1916 H LYS A 5 147.228 147.110 -0.058 1.00 0.03 H HETATM 1917 H LYS A 5 148.773 148.024 -0.118 1.00 0.03 H HETATM 1918 H LYS A 5 148.824 148.263 2.264 1.00 0.03 H HETATM 1919 H LYS A 5 147.143 147.650 2.424 1.00 0.03 H HETATM 1920 H LYS A 5 149.589 146.059 1.537 1.00 0.08 H HETATM 1921 H LYS A 5 147.947 144.786 0.537 1.00 0.19 H HETATM 1922 CB LYS A 5 145.728 142.446 2.132 1.00 -0.01 C HETATM 1923 CG LYS A 5 145.016 141.233 1.555 1.00 -0.04 C HETATM 1924 CD1 LYS A 5 145.289 140.017 2.457 1.00 -0.06 C HETATM 1925 H LYS A 5 144.777 139.134 2.047 1.00 0.02 H HETATM 1926 H LYS A 5 144.913 140.221 3.471 1.00 0.02 H HETATM 1927 H LYS A 5 146.372 139.827 2.498 1.00 0.02 H HETATM 1928 CD2 LYS A 5 143.525 141.515 1.425 1.00 -0.06 C HETATM 1929 H LYS A 5 143.373 142.389 0.774 1.00 0.02 H HETATM 1930 H LYS A 5 143.102 141.720 2.420 1.00 0.02 H HETATM 1931 H LYS A 5 143.023 140.640 0.987 1.00 0.02 H HETATM 1932 H LYS A 5 145.419 141.025 0.553 1.00 0.03 H HETATM 1933 H LYS A 5 145.245 142.684 3.091 1.00 0.03 H HETATM 1934 H LYS A 5 146.775 142.158 2.310 1.00 0.03 H HETATM 1935 H LYS A 5 144.718 144.113 1.224 1.00 0.08 H HETATM 1936 H LYS A 5 146.810 142.645 -0.199 1.00 0.19 H HETATM 1937 CB LYS A 5 147.949 144.637 -2.493 1.00 0.08 C HETATM 1938 OG LYS A 5 148.478 144.881 -1.198 1.00 -0.39 O HETATM 1939 H LYS A 5 149.318 145.318 -1.277 1.00 0.21 H HETATM 1940 H LYS A 5 147.823 145.596 -3.018 1.00 0.06 H HETATM 1941 H LYS A 5 148.649 144.001 -3.054 1.00 0.06 H HETATM 1942 H LYS A 5 146.759 142.847 -2.462 1.00 0.08 H HETATM 1943 H LYS A 5 146.088 145.007 -4.171 1.00 0.19 H HETATM 1944 CB LYS A 5 142.791 145.367 -4.576 1.00 -0.01 C HETATM 1945 CG LYS A 5 143.436 146.683 -4.118 1.00 -0.04 C HETATM 1946 CD LYS A 5 142.486 147.481 -3.206 1.00 -0.01 C HETATM 1947 CE LYS A 5 142.591 148.995 -3.443 1.00 -0.04 C HETATM 1948 NZ LYS A 5 141.710 149.830 -2.551 1.00 0.22 N HETATM 1949 H LYS A 5 141.839 150.805 -2.770 1.00 0.20 H HETATM 1950 H LYS A 5 141.956 149.667 -1.587 1.00 0.20 H HETATM 1951 H LYS A 5 140.746 149.577 -2.699 1.00 0.20 H HETATM 1952 H LYS A 5 142.314 149.199 -4.488 1.00 0.08 H HETATM 1953 H LYS A 5 143.635 149.297 -3.275 1.00 0.08 H HETATM 1954 H LYS A 5 142.740 147.268 -2.157 1.00 0.03 H HETATM 1955 H LYS A 5 141.452 147.162 -3.405 1.00 0.03 H HETATM 1956 H LYS A 5 143.679 147.290 -5.002 1.00 0.03 H HETATM 1957 H LYS A 5 144.359 146.457 -3.564 1.00 0.03 H HETATM 1958 H LYS A 5 142.146 145.004 -3.762 1.00 0.03 H HETATM 1959 H LYS A 5 142.177 145.581 -5.463 1.00 0.03 H HETATM 1960 H LYS A 5 144.466 144.607 -5.712 1.00 0.08 H HETATM 1961 H LYS A 5 142.060 143.039 -5.313 1.00 0.19 H HETATM 1962 CB LYS A 5 142.133 141.023 -7.648 1.00 0.01 C HETATM 1963 CG LYS A 5 142.647 140.137 -8.765 1.00 -0.04 C HETATM 1964 CD LYS A 5 144.158 139.995 -8.706 1.00 -0.01 C HETATM 1965 CE LYS A 5 144.722 139.658 -10.078 1.00 -0.04 C HETATM 1966 NZ LYS A 5 143.969 138.563 -10.771 1.00 0.22 N HETATM 1967 H LYS A 5 144.387 138.385 -11.671 1.00 0.20 H HETATM 1968 H LYS A 5 143.009 138.843 -10.896 1.00 0.20 H HETATM 1969 H LYS A 5 144.005 137.725 -10.212 1.00 0.20 H HETATM 1970 H LYS A 5 145.769 139.341 -9.958 1.00 0.08 H HETATM 1971 H LYS A 5 144.682 140.561 -10.704 1.00 0.08 H HETATM 1972 H LYS A 5 144.418 139.191 -8.002 1.00 0.03 H HETATM 1973 H LYS A 5 144.596 140.942 -8.359 1.00 0.03 H HETATM 1974 H LYS A 5 142.366 140.580 -9.732 1.00 0.03 H HETATM 1975 H LYS A 5 142.190 139.141 -8.672 1.00 0.03 H HETATM 1976 H LYS A 5 142.261 142.071 -7.956 1.00 0.03 H HETATM 1977 H LYS A 5 141.063 140.810 -7.507 1.00 0.03 H HETATM 1978 H LYS A 5 143.495 139.950 -6.369 1.00 0.11 H HETATM 1979 H LYS A 5 141.310 139.806 -5.441 1.00 0.20 H HETATM 1980 H LYS A 5 141.275 141.425 -5.147 1.00 0.20 H HETATM 1981 H LYS A 5 142.359 140.469 -4.359 1.00 0.20 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 1755 1756 1979 1980 1981 CONECT 1756 1755 1757 1962 1978 CONECT 1757 1756 1758 1759 CONECT 1758 1757 CONECT 1759 1757 1760 1961 CONECT 1760 1759 1761 1944 1960 CONECT 1761 1760 1762 1763 CONECT 1762 1761 CONECT 1763 1761 1764 1943 CONECT 1764 1763 1765 1937 1942 CONECT 1765 1764 1766 1767 CONECT 1766 1765 CONECT 1767 1765 1768 1936 CONECT 1768 1767 1769 1922 1935 CONECT 1769 1768 1770 1771 CONECT 1770 1769 CONECT 1771 1769 1772 1921 CONECT 1772 1771 1773 1902 1920 CONECT 1773 1772 1774 1775 CONECT 1774 1773 CONECT 1775 1773 1776 1901 CONECT 1776 1775 1777 1889 1900 CONECT 1777 1776 1778 1779 CONECT 1778 1777 CONECT 1779 1777 1780 1888 CONECT 1780 1779 1781 1789 1887 CONECT 1781 1780 1782 1787 1788 CONECT 1782 1781 1783 CONECT 1783 1782 1784 1785 1786 CONECT 1784 1783 CONECT 1785 1783 CONECT 1786 1783 CONECT 1787 1781 CONECT 1788 1781 CONECT 1789 1780 1790 1791 CONECT 1790 1789 CONECT 1791 1789 1792 1886 CONECT 1792 1791 1793 1871 1885 CONECT 1793 1792 1794 1795 CONECT 1794 1793 CONECT 1795 1793 1796 1870 CONECT 1796 1795 1797 1851 1869 CONECT 1797 1796 1798 1799 CONECT 1798 1797 CONECT 1799 1797 1800 1850 CONECT 1800 1799 1801 1831 1849 CONECT 1801 1800 1802 1803 CONECT 1802 1801 CONECT 1803 1801 1804 1830 CONECT 1804 1803 1805 1818 1829 CONECT 1805 1804 1806 1807 CONECT 1806 1805 CONECT 1807 1805 1808 1817 CONECT 1808 1807 1809 1812 1816 CONECT 1809 1808 1810 1811 CONECT 1810 1809 CONECT 1811 1809 CONECT 1812 1808 1813 1814 1815 CONECT 1813 1812 CONECT 1814 1812 CONECT 1815 1812 CONECT 1816 1808 CONECT 1817 1807 CONECT 1818 1804 1819 1827 1828 CONECT 1819 1818 1820 1825 1826 CONECT 1820 1819 1821 CONECT 1821 1820 1822 1823 1824 CONECT 1822 1821 CONECT 1823 1821 CONECT 1824 1821 CONECT 1825 1819 CONECT 1826 1819 CONECT 1827 1818 CONECT 1828 1818 CONECT 1829 1804 CONECT 1830 1803 CONECT 1831 1800 1832 1847 1848 CONECT 1832 1831 1833 1845 1846 CONECT 1833 1832 1834 1843 1844 CONECT 1834 1833 1835 1842 CONECT 1835 1834 1836 1839 CONECT 1836 1835 1837 1838 CONECT 1837 1836 CONECT 1838 1836 CONECT 1839 1835 1840 1841 CONECT 1840 1839 CONECT 1841 1839 CONECT 1842 1834 CONECT 1843 1833 CONECT 1844 1833 CONECT 1845 1832 CONECT 1846 1832 CONECT 1847 1831 CONECT 1848 1831 CONECT 1849 1800 CONECT 1850 1799 CONECT 1851 1796 1852 1867 1868 CONECT 1852 1851 1853 1865 1866 CONECT 1853 1852 1854 1863 1864 CONECT 1854 1853 1855 1862 CONECT 1855 1854 1856 1859 CONECT 1856 1855 1857 1858 CONECT 1857 1856 CONECT 1858 1856 CONECT 1859 1855 1860 1861 CONECT 1860 1859 CONECT 1861 1859 CONECT 1862 1854 CONECT 1863 1853 CONECT 1864 1853 CONECT 1865 1852 CONECT 1866 1852 CONECT 1867 1851 CONECT 1868 1851 CONECT 1869 1796 CONECT 1870 1795 CONECT 1871 1792 1872 1883 1884 CONECT 1872 1871 1873 1877 CONECT 1873 1872 1874 1882 CONECT 1874 1873 1875 1881 CONECT 1875 1874 1876 1880 CONECT 1876 1875 1877 1879 CONECT 1877 1872 1876 1878 CONECT 1878 1877 CONECT 1879 1876 CONECT 1880 1875 CONECT 1881 1874 CONECT 1882 1873 CONECT 1883 1871 CONECT 1884 1871 CONECT 1885 1792 CONECT 1886 1791 CONECT 1887 1780 CONECT 1888 1779 CONECT 1889 1776 1890 1898 1899 CONECT 1890 1889 1891 1896 1897 CONECT 1891 1890 1892 1893 CONECT 1892 1891 CONECT 1893 1891 1894 1895 CONECT 1894 1893 CONECT 1895 1893 CONECT 1896 1890 CONECT 1897 1890 CONECT 1898 1889 CONECT 1899 1889 CONECT 1900 1776 CONECT 1901 1775 CONECT 1902 1772 1903 1918 1919 CONECT 1903 1902 1904 1916 1917 CONECT 1904 1903 1905 1914 1915 CONECT 1905 1904 1906 1913 CONECT 1906 1905 1907 1910 CONECT 1907 1906 1908 1909 CONECT 1908 1907 CONECT 1909 1907 CONECT 1910 1906 1911 1912 CONECT 1911 1910 CONECT 1912 1910 CONECT 1913 1905 CONECT 1914 1904 CONECT 1915 1904 CONECT 1916 1903 CONECT 1917 1903 CONECT 1918 1902 CONECT 1919 1902 CONECT 1920 1772 CONECT 1921 1771 CONECT 1922 1768 1923 1933 1934 CONECT 1923 1922 1924 1928 1932 CONECT 1924 1923 1925 1926 1927 CONECT 1925 1924 CONECT 1926 1924 CONECT 1927 1924 CONECT 1928 1923 1929 1930 1931 CONECT 1929 1928 CONECT 1930 1928 CONECT 1931 1928 CONECT 1932 1923 CONECT 1933 1922 CONECT 1934 1922 CONECT 1935 1768 CONECT 1936 1767 CONECT 1937 1764 1938 1940 1941 CONECT 1938 1937 1939 CONECT 1939 1938 CONECT 1940 1937 CONECT 1941 1937 CONECT 1942 1764 CONECT 1943 1763 CONECT 1944 1760 1945 1958 1959 CONECT 1945 1944 1946 1956 1957 CONECT 1946 1945 1947 1954 1955 CONECT 1947 1946 1948 1952 1953 CONECT 1948 1947 1949 1950 1951 CONECT 1949 1948 CONECT 1950 1948 CONECT 1951 1948 CONECT 1952 1947 CONECT 1953 1947 CONECT 1954 1946 CONECT 1955 1946 CONECT 1956 1945 CONECT 1957 1945 CONECT 1958 1944 CONECT 1959 1944 CONECT 1960 1760 CONECT 1961 1759 CONECT 1962 1756 1963 1976 1977 CONECT 1963 1962 1964 1974 1975 CONECT 1964 1963 1965 1972 1973 CONECT 1965 1964 1966 1970 1971 CONECT 1966 1965 1967 1968 1969 CONECT 1967 1966 CONECT 1968 1966 CONECT 1969 1966 CONECT 1970 1965 CONECT 1971 1965 CONECT 1972 1964 CONECT 1973 1964 CONECT 1974 1963 CONECT 1975 1963 CONECT 1976 1962 CONECT 1977 1962 CONECT 1978 1756 CONECT 1979 1755 CONECT 1980 1755 CONECT 1981 1755 MASTER 0 0 0 0 0 0 0 0 1980 1 231 14 END
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Entry Information
PDB ID
3wp1
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Disks large homolog 4, Dlg GK
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
2.8(Å)
Affinity (Kd/Ki/IC50)
Kd=14.1uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Cell Res. Vol. 24: pp. 451-463
Ligand Properties
Formula
C
6
4
H
1
2
2
N
2
4
O
1
9
PS
Molecular Weight
1594.840
Exact Mass
1593.880
No. of atoms
231
No. of bonds
231
Polar Surface Area
810.48
LOGP Value
-5.90 (
Computed with XLOGP3
)
-7.57 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 67
No. of Nitrogen and Oxygen Atoms: 43
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CCSC)CCC[NH+]=C(N)N)CCC[NH+]=C(N)N)Cc1ccccc1)COP(O)(O)O)CCC(=O)N)CCC[NH+]=C(N)N)CC(C)C)CO)NC(=O)[C@H](CCCC[NH3+])[NH3+]
InChI String
InChI=1S/C64H117N24O19PS/c1-35(2)31-45(85-59(100)47(33-89)87-55(96)39(18-9-11-26-66)79-50(91)38(67)17-8-10-25-65)57(98)81-42(21-14-29-77-64(73)74)53(94)83-43(22-23-49(68)90)56(97)88-48(34-107-108(104,105)106)60(101)86-46(32-37-15-6-5-7-16-37)58(99)82-41(20-13-28-76-63(71)72)52(93)80-40(19-12-27-75-62(69)70)54(95)84-44(24-30-109-4)51(92)78-36(3)61(102)103/h5-7,15-16,35-36,38-48,89,104-106,108H,8-14,17-34,65-67H2,1-4H3,(H2,68,90)(H,78,92)(H,79,91)(H,80,93)(H,81,98)(H,82,99)(H,83,94)(H,84,95)(H,85,100)(H,86,101)(H,87,96)(H,88,97)(H,102,103)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/p+6/t36-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
Q6P1M3
P31016
Entrez Gene ID
NCBI Entrez Gene ID:
3993
29495
ASD
Information of known allosteric effects of PDB entries
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