Browse entries in the PDBbind-CN Database
HEADER 5F1H_COMPLEX COMPND 5F1H_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 113 SER THR PRO ILE GLN GLN LEU LEU GLU HIS PHE LEU ARG SEQRES 2 A 113 GLN LEU GLN ARG LYS ASP PRO HIS GLY PHE PHE ALA PHE SEQRES 3 A 113 PRO VAL THR ASP ALA ILE ALA PRO GLY TYR SER MET ILE SEQRES 4 A 113 ILE LYS HIS PRO MET ASP PHE GLY THR MET LYS ASP LYS SEQRES 5 A 113 ILE VAL ALA ASN GLU TYR LYS SER VAL THR GLU PHE LYS SEQRES 6 A 113 ALA ASP PHE LYS LEU MET CYS ASP ASN ALA MET THR TYR SEQRES 7 A 113 ASN ARG PRO ASP THR VAL TYR TYR LYS LEU ALA LYS LYS SEQRES 8 A 113 ILE LEU HIS ALA GLY PHE LYS MET MET SER LYS GLU ARG SEQRES 9 A 113 LEU LEU ALA LEU LYS ARG SER MET SER HET UNN A 217 50 ATOM 1 N SER A 22 6.336 25.203 16.236 1.00 67.75 N ATOM 2 CA SER A 22 7.421 24.614 15.447 1.00 64.54 C ATOM 3 C SER A 22 8.621 25.561 15.330 1.00 66.69 C ATOM 4 O SER A 22 8.440 26.771 15.199 1.00 68.48 O ATOM 5 CB SER A 22 6.921 24.231 14.057 1.00 67.99 C ATOM 6 OG SER A 22 7.870 23.447 13.353 1.00 73.90 O ATOM 7 HG SER A 22 7.510 23.219 12.459 1.00 0.00 H ATOM 8 HN3 SER A 22 6.016 26.082 15.781 1.00 0.00 H ATOM 9 HN2 SER A 22 6.681 25.413 17.194 1.00 0.00 H ATOM 10 HN1 SER A 22 5.544 24.531 16.291 1.00 0.00 H ATOM 11 N THR A 23 9.842 25.000 15.383 1.00 60.01 N ATOM 12 CA THR A 23 11.106 25.740 15.287 1.00 58.27 C ATOM 13 C THR A 23 11.629 25.734 13.829 1.00 59.52 C ATOM 14 O THR A 23 11.195 24.881 13.053 1.00 57.25 O ATOM 15 CB THR A 23 12.157 25.128 16.242 1.00 64.59 C ATOM 16 OG1 THR A 23 12.431 23.780 15.856 1.00 62.51 O ATOM 17 CG2 THR A 23 11.750 25.195 17.706 1.00 64.76 C ATOM 18 HG1 THR A 23 11.597 23.249 15.901 1.00 0.00 H ATOM 19 H THR A 23 9.894 23.968 15.500 1.00 0.00 H ATOM 20 N PRO A 24 12.582 26.627 13.438 1.00 56.50 N ATOM 21 CA PRO A 24 13.104 26.590 12.059 1.00 55.25 C ATOM 22 C PRO A 24 13.771 25.267 11.674 1.00 56.23 C ATOM 23 O PRO A 24 13.697 24.889 10.506 1.00 54.42 O ATOM 24 CB PRO A 24 14.110 27.738 12.037 1.00 58.05 C ATOM 25 CG PRO A 24 13.674 28.653 13.118 1.00 64.71 C ATOM 26 CD PRO A 24 13.200 27.734 14.198 1.00 59.84 C ATOM 27 N ILE A 25 14.413 24.564 12.644 1.00 52.50 N ATOM 28 CA ILE A 25 15.048 23.262 12.398 1.00 50.77 C ATOM 29 C ILE A 25 13.969 22.204 12.149 1.00 52.68 C ATOM 30 O ILE A 25 14.086 21.447 11.188 1.00 50.48 O ATOM 31 CB ILE A 25 16.116 22.843 13.470 1.00 54.15 C ATOM 32 CG1 ILE A 25 16.852 21.520 13.108 1.00 53.62 C ATOM 33 CG2 ILE A 25 15.546 22.775 14.888 1.00 55.98 C ATOM 34 CD1 ILE A 25 17.771 21.558 11.887 1.00 62.76 C ATOM 35 H ILE A 25 14.457 24.965 13.602 1.00 0.00 H ATOM 36 N GLN A 26 12.892 22.201 12.971 1.00 49.94 N ATOM 37 CA GLN A 26 11.767 21.273 12.831 1.00 49.50 C ATOM 38 C GLN A 26 11.095 21.426 11.465 1.00 53.70 C ATOM 39 O GLN A 26 10.803 20.419 10.822 1.00 52.89 O ATOM 40 CB GLN A 26 10.748 21.460 13.965 1.00 52.41 C ATOM 41 CG GLN A 26 11.167 20.782 15.267 1.00 59.23 C ATOM 42 CD GLN A 26 10.341 21.214 16.456 1.00 69.66 C ATOM 43 OE1 GLN A 26 10.127 22.405 16.700 1.00 64.32 O ATOM 44 NE2 GLN A 26 9.904 20.252 17.257 1.00 58.86 N ATOM 45 HE22 GLN A 26 10.098 19.256 17.028 1.00 0.00 H ATOM 46 HE21 GLN A 26 9.367 20.493 18.114 1.00 0.00 H ATOM 47 H GLN A 26 12.862 22.896 13.744 1.00 0.00 H ATOM 48 N GLN A 27 10.899 22.683 11.009 1.00 51.06 N ATOM 49 CA GLN A 27 10.296 23.000 9.711 1.00 51.99 C ATOM 50 C GLN A 27 11.158 22.464 8.571 1.00 54.81 C ATOM 51 O GLN A 27 10.638 21.804 7.664 1.00 54.97 O ATOM 52 CB GLN A 27 10.069 24.517 9.561 1.00 55.34 C ATOM 53 CG GLN A 27 8.858 25.046 10.330 1.00 71.84 C ATOM 54 CD GLN A 27 7.559 24.389 9.923 1.00 91.48 C ATOM 55 OE1 GLN A 27 6.959 23.631 10.689 1.00 87.92 O ATOM 56 NE2 GLN A 27 7.113 24.638 8.700 1.00 83.71 N ATOM 57 HE22 GLN A 27 7.640 25.282 8.075 1.00 0.00 H ATOM 58 HE21 GLN A 27 6.236 24.190 8.365 1.00 0.00 H ATOM 59 H GLN A 27 11.194 23.474 11.616 1.00 0.00 H ATOM 60 N LEU A 28 12.481 22.696 8.653 1.00 49.51 N ATOM 61 CA LEU A 28 13.431 22.218 7.658 1.00 48.53 C ATOM 62 C LEU A 28 13.472 20.691 7.600 1.00 49.22 C ATOM 63 O LEU A 28 13.408 20.129 6.505 1.00 47.87 O ATOM 64 CB LEU A 28 14.832 22.791 7.915 1.00 48.78 C ATOM 65 CG LEU A 28 15.942 22.238 7.020 1.00 54.12 C ATOM 66 CD1 LEU A 28 15.791 22.702 5.582 1.00 56.23 C ATOM 67 CD2 LEU A 28 17.279 22.583 7.553 1.00 57.38 C ATOM 68 H LEU A 28 12.841 23.241 9.463 1.00 0.00 H ATOM 69 N LEU A 29 13.560 20.024 8.764 1.00 45.01 N ATOM 70 CA LEU A 29 13.615 18.562 8.803 1.00 43.59 C ATOM 71 C LEU A 29 12.317 17.919 8.312 1.00 47.97 C ATOM 72 O LEU A 29 12.383 16.919 7.601 1.00 46.46 O ATOM 73 CB LEU A 29 14.052 18.026 10.175 1.00 42.84 C ATOM 74 CG LEU A 29 15.414 18.522 10.689 1.00 47.39 C ATOM 75 CD1 LEU A 29 15.679 18.025 12.072 1.00 47.73 C ATOM 76 CD2 LEU A 29 16.558 18.135 9.766 1.00 48.32 C ATOM 77 H LEU A 29 13.590 20.558 9.656 1.00 0.00 H ATOM 78 N GLU A 30 11.151 18.525 8.625 1.00 46.84 N ATOM 79 CA GLU A 30 9.846 18.051 8.145 1.00 48.14 C ATOM 80 C GLU A 30 9.784 18.117 6.611 1.00 53.26 C ATOM 81 O GLU A 30 9.268 17.193 5.981 1.00 53.19 O ATOM 82 CB GLU A 30 8.696 18.854 8.773 1.00 51.38 C ATOM 83 CG GLU A 30 8.148 18.208 10.033 1.00 59.86 C ATOM 84 CD GLU A 30 7.169 19.026 10.853 1.00 80.81 C ATOM 85 OE1 GLU A 30 6.512 19.933 10.290 1.00 69.60 O ATOM 86 OE2 GLU A 30 7.039 18.736 12.064 1.00 76.49 O ATOM 87 H GLU A 30 11.178 19.367 9.235 1.00 0.00 H ATOM 88 N HIS A 31 10.346 19.195 6.023 1.00 50.55 N ATOM 89 CA HIS A 31 10.438 19.413 4.579 1.00 51.58 C ATOM 90 C HIS A 31 11.301 18.308 3.945 1.00 52.39 C ATOM 91 O HIS A 31 10.867 17.688 2.973 1.00 53.38 O ATOM 92 CB HIS A 31 11.004 20.814 4.282 1.00 53.48 C ATOM 93 CG HIS A 31 11.571 20.966 2.907 1.00 58.07 C ATOM 94 ND1 HIS A 31 10.758 21.211 1.817 1.00 62.72 N ATOM 95 CD2 HIS A 31 12.857 20.897 2.489 1.00 59.18 C ATOM 96 CE1 HIS A 31 11.569 21.276 0.774 1.00 62.93 C ATOM 97 NE2 HIS A 31 12.842 21.096 1.130 1.00 61.18 N ATOM 98 H HIS A 31 10.744 19.927 6.645 1.00 0.00 H ATOM 99 N PHE A 32 12.509 18.055 4.502 1.00 45.81 N ATOM 100 CA PHE A 32 13.409 17.000 4.016 1.00 43.86 C ATOM 101 C PHE A 32 12.742 15.626 4.089 1.00 46.11 C ATOM 102 O PHE A 32 12.827 14.861 3.133 1.00 44.92 O ATOM 103 CB PHE A 32 14.739 16.974 4.803 1.00 43.66 C ATOM 104 CG PHE A 32 15.744 18.053 4.467 1.00 45.91 C ATOM 105 CD1 PHE A 32 15.843 18.561 3.173 1.00 50.09 C ATOM 106 CD2 PHE A 32 16.633 18.520 5.429 1.00 47.57 C ATOM 107 CE1 PHE A 32 16.796 19.531 2.855 1.00 52.42 C ATOM 108 CE2 PHE A 32 17.585 19.492 5.111 1.00 52.02 C ATOM 109 CZ PHE A 32 17.658 19.993 3.827 1.00 51.80 C ATOM 110 H PHE A 32 12.814 18.634 5.311 1.00 0.00 H ATOM 111 N LEU A 33 12.031 15.349 5.195 1.00 43.50 N ATOM 112 CA LEU A 33 11.349 14.076 5.434 1.00 43.41 C ATOM 113 C LEU A 33 10.193 13.820 4.482 1.00 49.53 C ATOM 114 O LEU A 33 10.073 12.705 3.983 1.00 49.13 O ATOM 115 CB LEU A 33 10.896 13.954 6.900 1.00 43.57 C ATOM 116 CG LEU A 33 10.352 12.588 7.330 1.00 48.06 C ATOM 117 CD1 LEU A 33 11.466 11.577 7.502 1.00 45.84 C ATOM 118 CD2 LEU A 33 9.564 12.705 8.591 1.00 51.67 C ATOM 119 H LEU A 33 11.961 16.085 5.927 1.00 0.00 H ATOM 120 N ARG A 34 9.350 14.847 4.222 1.00 48.64 N ATOM 121 CA ARG A 34 8.214 14.744 3.302 1.00 51.09 C ATOM 122 C ARG A 34 8.677 14.379 1.898 1.00 56.22 C ATOM 123 O ARG A 34 8.040 13.548 1.247 1.00 57.72 O ATOM 124 CB ARG A 34 7.425 16.062 3.252 1.00 52.66 C ATOM 125 CG ARG A 34 6.287 16.144 4.253 1.00 60.62 C ATOM 126 CD ARG A 34 5.335 17.301 3.944 1.00 69.11 C ATOM 127 NE ARG A 34 6.045 18.530 3.566 1.00 72.91 N ATOM 128 CZ ARG A 34 6.510 19.428 4.429 1.00 85.28 C ATOM 129 NH1 ARG A 34 6.330 19.262 5.734 1.00 74.70 N ATOM 130 NH2 ARG A 34 7.153 20.503 3.993 1.00 69.44 N ATOM 131 HE ARG A 34 6.194 18.710 2.553 1.00 0.00 H ATOM 132 HH12 ARG A 34 6.696 19.968 6.403 1.00 0.00 H ATOM 133 HH11 ARG A 34 5.823 18.425 6.087 1.00 0.00 H ATOM 134 HH22 ARG A 34 7.515 21.203 4.671 1.00 0.00 H ATOM 135 HH21 ARG A 34 7.295 20.646 2.973 1.00 0.00 H ATOM 136 H ARG A 34 9.517 15.756 4.700 1.00 0.00 H ATOM 137 N GLN A 35 9.780 15.008 1.437 1.00 52.13 N ATOM 138 CA GLN A 35 10.376 14.778 0.119 1.00 53.40 C ATOM 139 C GLN A 35 10.900 13.343 0.005 1.00 55.07 C ATOM 140 O GLN A 35 10.761 12.724 -1.052 1.00 56.19 O ATOM 141 CB GLN A 35 11.516 15.774 -0.139 1.00 54.81 C ATOM 142 CG GLN A 35 11.065 17.156 -0.576 1.00 80.01 C ATOM 143 CD GLN A 35 12.255 18.023 -0.897 1.00108.67 C ATOM 144 OE1 GLN A 35 12.944 18.532 -0.006 1.00103.96 O ATOM 145 NE2 GLN A 35 12.537 18.198 -2.181 1.00106.66 N ATOM 146 HE22 GLN A 35 11.939 17.757 -2.909 1.00 0.00 H ATOM 147 HE21 GLN A 35 13.356 18.776 -2.460 1.00 0.00 H ATOM 148 H GLN A 35 10.237 15.703 2.061 1.00 0.00 H ATOM 149 N LEU A 36 11.483 12.814 1.099 1.00 48.17 N ATOM 150 CA LEU A 36 12.005 11.444 1.148 1.00 45.82 C ATOM 151 C LEU A 36 10.881 10.421 1.163 1.00 50.74 C ATOM 152 O LEU A 36 10.969 9.417 0.452 1.00 50.62 O ATOM 153 CB LEU A 36 12.918 11.249 2.370 1.00 43.28 C ATOM 154 CG LEU A 36 14.227 12.025 2.342 1.00 47.53 C ATOM 155 CD1 LEU A 36 14.901 12.016 3.697 1.00 45.91 C ATOM 156 CD2 LEU A 36 15.136 11.531 1.253 1.00 51.12 C ATOM 157 H LEU A 36 11.567 13.406 1.950 1.00 0.00 H ATOM 158 N GLN A 37 9.813 10.689 1.956 1.00 48.25 N ATOM 159 CA GLN A 37 8.638 9.820 2.091 1.00 49.14 C ATOM 160 C GLN A 37 7.863 9.657 0.785 1.00 56.19 C ATOM 161 O GLN A 37 7.202 8.631 0.608 1.00 57.07 O ATOM 162 CB GLN A 37 7.722 10.272 3.242 1.00 51.04 C ATOM 163 CG GLN A 37 8.314 9.975 4.622 1.00 56.82 C ATOM 164 CD GLN A 37 7.285 9.567 5.650 1.00 70.86 C ATOM 165 OE1 GLN A 37 7.003 10.302 6.601 1.00 64.03 O ATOM 166 NE2 GLN A 37 6.754 8.355 5.528 1.00 58.58 N ATOM 167 HE22 GLN A 37 7.008 7.755 4.717 1.00 0.00 H ATOM 168 HE21 GLN A 37 6.084 8.006 6.243 1.00 0.00 H ATOM 169 H GLN A 37 9.828 11.571 2.506 1.00 0.00 H ATOM 170 N ARG A 38 7.979 10.643 -0.144 1.00 54.52 N ATOM 171 CA ARG A 38 7.349 10.610 -1.472 1.00 57.74 C ATOM 172 C ARG A 38 7.917 9.455 -2.301 1.00 60.41 C ATOM 173 O ARG A 38 7.200 8.881 -3.122 1.00 62.50 O ATOM 174 CB ARG A 38 7.566 11.931 -2.229 1.00 60.38 C ATOM 175 CG ARG A 38 6.650 13.066 -1.798 1.00 76.59 C ATOM 176 CD ARG A 38 6.556 14.121 -2.883 1.00 93.62 C ATOM 177 NE ARG A 38 5.979 15.373 -2.390 1.00107.71 N ATOM 178 CZ ARG A 38 6.692 16.431 -2.015 1.00124.93 C ATOM 179 NH1 ARG A 38 6.084 17.528 -1.584 1.00115.87 N ATOM 180 NH2 ARG A 38 8.018 16.402 -2.070 1.00110.79 N ATOM 181 HE ARG A 38 4.943 15.439 -2.329 1.00 0.00 H ATOM 182 HH12 ARG A 38 6.646 18.353 -1.292 1.00 0.00 H ATOM 183 HH11 ARG A 38 5.046 17.563 -1.538 1.00 0.00 H ATOM 184 HH22 ARG A 38 8.569 17.233 -1.775 1.00 0.00 H ATOM 185 HH21 ARG A 38 8.506 15.548 -2.408 1.00 0.00 H ATOM 186 H ARG A 38 8.551 11.476 0.101 1.00 0.00 H ATOM 187 N LYS A 39 9.198 9.103 -2.062 1.00 53.76 N ATOM 188 CA LYS A 39 9.890 8.009 -2.749 1.00 52.75 C ATOM 189 C LYS A 39 9.471 6.612 -2.249 1.00 54.70 C ATOM 190 O LYS A 39 9.830 5.613 -2.870 1.00 54.60 O ATOM 191 CB LYS A 39 11.422 8.194 -2.695 1.00 53.17 C ATOM 192 CG LYS A 39 11.945 9.521 -3.282 1.00 67.82 C ATOM 193 CD LYS A 39 11.622 9.745 -4.774 1.00 84.12 C ATOM 194 CE LYS A 39 12.506 8.979 -5.733 1.00 95.87 C ATOM 195 NZ LYS A 39 12.087 9.193 -7.144 1.00108.27 N ATOM 196 HZ1 LYS A 39 11.107 8.868 -7.266 1.00 0.00 H ATOM 197 HZ2 LYS A 39 12.149 10.206 -7.373 1.00 0.00 H ATOM 198 HZ3 LYS A 39 12.713 8.654 -7.776 1.00 0.00 H ATOM 199 H LYS A 39 9.727 9.641 -1.346 1.00 0.00 H ATOM 200 N ASP A 40 8.687 6.539 -1.159 1.00 49.96 N ATOM 201 CA ASP A 40 8.200 5.272 -0.607 1.00 48.81 C ATOM 202 C ASP A 40 6.648 5.280 -0.588 1.00 56.15 C ATOM 203 O ASP A 40 6.059 5.430 0.485 1.00 55.65 O ATOM 204 CB ASP A 40 8.831 5.022 0.787 1.00 46.50 C ATOM 205 CG ASP A 40 8.299 3.827 1.565 1.00 49.46 C ATOM 206 OD1 ASP A 40 8.035 2.770 0.939 1.00 48.33 O ATOM 207 OD2 ASP A 40 8.125 3.956 2.793 1.00 53.51 O ATOM 208 H ASP A 40 8.413 7.424 -0.685 1.00 0.00 H ATOM 209 N PRO A 41 5.963 5.158 -1.764 1.00 57.13 N ATOM 210 CA PRO A 41 4.487 5.231 -1.763 1.00 60.86 C ATOM 211 C PRO A 41 3.761 4.065 -1.096 1.00 65.32 C ATOM 212 O PRO A 41 2.635 4.249 -0.630 1.00 67.61 O ATOM 213 CB PRO A 41 4.135 5.342 -3.248 1.00 66.31 C ATOM 214 CG PRO A 41 5.258 4.682 -3.946 1.00 68.71 C ATOM 215 CD PRO A 41 6.483 4.998 -3.139 1.00 59.76 C ATOM 216 N HIS A 42 4.392 2.878 -1.048 1.00 59.36 N ATOM 217 CA HIS A 42 3.791 1.690 -0.436 1.00 60.08 C ATOM 218 C HIS A 42 3.967 1.636 1.087 1.00 60.45 C ATOM 219 O HIS A 42 3.400 0.755 1.741 1.00 61.73 O ATOM 220 CB HIS A 42 4.289 0.399 -1.104 1.00 60.69 C ATOM 221 CG HIS A 42 4.109 0.373 -2.590 1.00 67.29 C ATOM 222 ND1 HIS A 42 2.852 0.272 -3.165 1.00 73.92 N ATOM 223 CD2 HIS A 42 5.037 0.431 -3.573 1.00 68.58 C ATOM 224 CE1 HIS A 42 3.054 0.281 -4.473 1.00 75.37 C ATOM 225 NE2 HIS A 42 4.353 0.370 -4.767 1.00 72.62 N ATOM 226 H HIS A 42 5.343 2.800 -1.461 1.00 0.00 H ATOM 227 N GLY A 43 4.731 2.583 1.629 1.00 52.69 N ATOM 228 CA GLY A 43 4.972 2.705 3.060 1.00 50.13 C ATOM 229 C GLY A 43 5.824 1.608 3.655 1.00 50.86 C ATOM 230 O GLY A 43 5.638 1.251 4.823 1.00 49.84 O ATOM 231 H GLY A 43 5.181 3.274 0.995 1.00 0.00 H ATOM 232 N PHE A 44 6.785 1.079 2.867 1.00 46.08 N ATOM 233 CA PHE A 44 7.705 0.038 3.326 1.00 43.36 C ATOM 234 C PHE A 44 8.621 0.551 4.433 1.00 44.33 C ATOM 235 O PHE A 44 9.004 -0.219 5.301 1.00 43.37 O ATOM 236 CB PHE A 44 8.546 -0.514 2.166 1.00 44.11 C ATOM 237 CG PHE A 44 7.776 -1.181 1.047 1.00 47.73 C ATOM 238 CD1 PHE A 44 6.778 -2.112 1.323 1.00 52.25 C ATOM 239 CD2 PHE A 44 8.095 -0.931 -0.282 1.00 50.18 C ATOM 240 CE1 PHE A 44 6.086 -2.747 0.288 1.00 55.72 C ATOM 241 CE2 PHE A 44 7.404 -1.573 -1.318 1.00 55.64 C ATOM 242 CZ PHE A 44 6.407 -2.475 -1.024 1.00 55.56 C ATOM 243 H PHE A 44 6.875 1.427 1.891 1.00 0.00 H ATOM 244 N PHE A 45 8.944 1.854 4.415 1.00 40.47 N ATOM 245 CA PHE A 45 9.822 2.497 5.397 1.00 37.50 C ATOM 246 C PHE A 45 9.043 3.405 6.362 1.00 43.38 C ATOM 247 O PHE A 45 9.657 4.099 7.169 1.00 41.29 O ATOM 248 CB PHE A 45 10.939 3.274 4.672 1.00 37.42 C ATOM 249 CG PHE A 45 11.867 2.389 3.880 1.00 37.28 C ATOM 250 CD1 PHE A 45 12.944 1.760 4.494 1.00 37.78 C ATOM 251 CD2 PHE A 45 11.666 2.180 2.520 1.00 40.03 C ATOM 252 CE1 PHE A 45 13.805 0.939 3.761 1.00 38.02 C ATOM 253 CE2 PHE A 45 12.519 1.344 1.791 1.00 41.72 C ATOM 254 CZ PHE A 45 13.580 0.727 2.419 1.00 37.81 C ATOM 255 H PHE A 45 8.546 2.444 3.657 1.00 0.00 H ATOM 256 N ALA A 46 7.691 3.378 6.292 1.00 44.10 N ATOM 257 CA ALA A 46 6.808 4.213 7.120 1.00 46.25 C ATOM 258 C ALA A 46 6.800 3.877 8.620 1.00 52.04 C ATOM 259 O ALA A 46 6.607 4.781 9.435 1.00 52.41 O ATOM 260 CB ALA A 46 5.389 4.180 6.572 1.00 50.10 C ATOM 261 H ALA A 46 7.250 2.727 5.611 1.00 0.00 H ATOM 262 N PHE A 47 6.978 2.593 8.982 1.00 49.05 N ATOM 263 CA PHE A 47 6.946 2.135 10.376 1.00 50.22 C ATOM 264 C PHE A 47 8.011 1.039 10.667 1.00 51.02 C ATOM 265 O PHE A 47 8.603 0.535 9.707 1.00 49.26 O ATOM 266 CB PHE A 47 5.513 1.704 10.776 1.00 56.55 C ATOM 267 CG PHE A 47 4.903 0.567 9.987 1.00 60.84 C ATOM 268 CD1 PHE A 47 4.206 0.812 8.806 1.00 65.07 C ATOM 269 CD2 PHE A 47 4.964 -0.742 10.459 1.00 64.70 C ATOM 270 CE1 PHE A 47 3.629 -0.241 8.083 1.00 69.37 C ATOM 271 CE2 PHE A 47 4.383 -1.792 9.737 1.00 66.86 C ATOM 272 CZ PHE A 47 3.723 -1.534 8.554 1.00 67.19 C ATOM 273 H PHE A 47 7.147 1.889 8.235 1.00 0.00 H ATOM 274 N PRO A 48 8.320 0.693 11.955 1.00 46.72 N ATOM 275 CA PRO A 48 9.362 -0.323 12.217 1.00 44.87 C ATOM 276 C PRO A 48 9.086 -1.700 11.618 1.00 48.00 C ATOM 277 O PRO A 48 7.941 -2.159 11.627 1.00 48.16 O ATOM 278 CB PRO A 48 9.405 -0.403 13.752 1.00 48.14 C ATOM 279 CG PRO A 48 8.817 0.872 14.226 1.00 53.67 C ATOM 280 CD PRO A 48 7.763 1.212 13.225 1.00 50.13 C ATOM 281 N VAL A 49 10.146 -2.363 11.104 1.00 42.81 N ATOM 282 CA VAL A 49 10.033 -3.709 10.532 1.00 42.55 C ATOM 283 C VAL A 49 9.985 -4.712 11.695 1.00 47.73 C ATOM 284 O VAL A 49 10.879 -4.716 12.545 1.00 47.81 O ATOM 285 CB VAL A 49 11.168 -4.056 9.514 1.00 43.60 C ATOM 286 CG1 VAL A 49 10.922 -5.414 8.863 1.00 43.75 C ATOM 287 CG2 VAL A 49 11.319 -2.982 8.442 1.00 41.92 C ATOM 288 H VAL A 49 11.078 -1.901 11.115 1.00 0.00 H ATOM 289 N THR A 50 8.942 -5.547 11.733 1.00 45.33 N ATOM 290 CA THR A 50 8.767 -6.562 12.779 1.00 46.60 C ATOM 291 C THR A 50 9.238 -7.917 12.255 1.00 49.57 C ATOM 292 O THR A 50 9.315 -8.113 11.037 1.00 47.22 O ATOM 293 CB THR A 50 7.291 -6.658 13.205 1.00 53.38 C ATOM 294 OG1 THR A 50 6.545 -7.226 12.129 1.00 51.92 O ATOM 295 CG2 THR A 50 6.697 -5.315 13.627 1.00 54.11 C ATOM 296 HG1 THR A 50 6.898 -8.128 11.925 1.00 0.00 H ATOM 297 H THR A 50 8.221 -5.474 10.987 1.00 0.00 H ATOM 298 N ASP A 51 9.501 -8.865 13.169 1.00 48.82 N ATOM 299 CA ASP A 51 9.907 -10.228 12.822 1.00 49.36 C ATOM 300 C ASP A 51 8.772 -10.998 12.125 1.00 56.31 C ATOM 301 O ASP A 51 9.048 -11.918 11.354 1.00 55.14 O ATOM 302 CB ASP A 51 10.416 -10.979 14.062 1.00 53.20 C ATOM 303 CG ASP A 51 11.781 -10.547 14.575 1.00 60.32 C ATOM 304 OD1 ASP A 51 12.315 -9.527 14.076 1.00 58.48 O ATOM 305 OD2 ASP A 51 12.311 -11.222 15.482 1.00 66.26 O ATOM 306 H ASP A 51 9.412 -8.618 14.175 1.00 0.00 H ATOM 307 N ALA A 52 7.504 -10.598 12.372 1.00 56.69 N ATOM 308 CA ALA A 52 6.319 -11.184 11.733 1.00 59.23 C ATOM 309 C ALA A 52 6.355 -10.843 10.240 1.00 61.87 C ATOM 310 O ALA A 52 6.186 -11.732 9.407 1.00 62.31 O ATOM 311 CB ALA A 52 5.050 -10.630 12.370 1.00 63.46 C ATOM 312 H ALA A 52 7.359 -9.828 13.056 1.00 0.00 H ATOM 313 N ILE A 53 6.645 -9.565 9.914 1.00 56.38 N ATOM 314 CA ILE A 53 6.767 -9.045 8.550 1.00 54.55 C ATOM 315 C ILE A 53 8.057 -9.561 7.882 1.00 55.37 C ATOM 316 O ILE A 53 8.010 -9.993 6.727 1.00 55.46 O ATOM 317 CB ILE A 53 6.614 -7.493 8.549 1.00 56.94 C ATOM 318 CG1 ILE A 53 5.129 -7.103 8.818 1.00 61.31 C ATOM 319 CG2 ILE A 53 7.119 -6.847 7.252 1.00 54.89 C ATOM 320 CD1 ILE A 53 4.917 -5.734 9.535 1.00 70.22 C ATOM 321 H ILE A 53 6.794 -8.895 10.695 1.00 0.00 H ATOM 322 N ALA A 54 9.191 -9.549 8.611 1.00 48.90 N ATOM 323 CA ALA A 54 10.464 -10.031 8.075 1.00 45.84 C ATOM 324 C ALA A 54 11.158 -11.024 9.023 1.00 49.20 C ATOM 325 O ALA A 54 11.875 -10.604 9.935 1.00 46.61 O ATOM 326 CB ALA A 54 11.378 -8.862 7.736 1.00 44.09 C ATOM 327 H ALA A 54 9.160 -9.186 9.585 1.00 0.00 H ATOM 328 N PRO A 55 10.950 -12.353 8.816 1.00 48.12 N ATOM 329 CA PRO A 55 11.572 -13.358 9.702 1.00 48.32 C ATOM 330 C PRO A 55 13.056 -13.156 10.004 1.00 48.62 C ATOM 331 O PRO A 55 13.858 -12.932 9.099 1.00 45.54 O ATOM 332 CB PRO A 55 11.315 -14.672 8.965 1.00 51.23 C ATOM 333 CG PRO A 55 10.034 -14.435 8.247 1.00 57.25 C ATOM 334 CD PRO A 55 10.106 -13.004 7.789 1.00 51.27 C ATOM 335 N GLY A 56 13.381 -13.195 11.293 1.00 46.01 N ATOM 336 CA GLY A 56 14.737 -13.042 11.803 1.00 44.54 C ATOM 337 C GLY A 56 15.345 -11.665 11.631 1.00 45.04 C ATOM 338 O GLY A 56 16.573 -11.546 11.630 1.00 44.49 O ATOM 339 H GLY A 56 12.617 -13.345 11.982 1.00 0.00 H ATOM 340 N TYR A 57 14.498 -10.615 11.483 1.00 39.18 N ATOM 341 CA TYR A 57 14.944 -9.229 11.294 1.00 35.84 C ATOM 342 C TYR A 57 15.748 -8.734 12.497 1.00 38.25 C ATOM 343 O TYR A 57 16.838 -8.194 12.309 1.00 36.00 O ATOM 344 CB TYR A 57 13.758 -8.278 11.011 1.00 36.40 C ATOM 345 CG TYR A 57 14.189 -6.918 10.504 1.00 35.72 C ATOM 346 CD1 TYR A 57 14.499 -6.718 9.161 1.00 35.95 C ATOM 347 CD2 TYR A 57 14.296 -5.831 11.367 1.00 36.40 C ATOM 348 CE1 TYR A 57 14.908 -5.474 8.690 1.00 34.17 C ATOM 349 CE2 TYR A 57 14.701 -4.578 10.907 1.00 35.92 C ATOM 350 CZ TYR A 57 15.010 -4.405 9.566 1.00 40.56 C ATOM 351 OH TYR A 57 15.432 -3.181 9.103 1.00 38.65 O ATOM 352 HH TYR A 57 15.606 -3.240 8.130 1.00 0.00 H ATOM 353 H TYR A 57 13.475 -10.803 11.505 1.00 0.00 H ATOM 354 N SER A 58 15.216 -8.931 13.720 1.00 37.18 N ATOM 355 CA SER A 58 15.842 -8.487 14.976 1.00 38.29 C ATOM 356 C SER A 58 17.181 -9.195 15.273 1.00 43.09 C ATOM 357 O SER A 58 18.028 -8.634 15.969 1.00 42.89 O ATOM 358 CB SER A 58 14.874 -8.636 16.145 1.00 42.68 C ATOM 359 OG SER A 58 14.569 -10.002 16.357 1.00 47.37 O ATOM 360 HG SER A 58 14.152 -10.376 15.541 1.00 0.00 H ATOM 361 H SER A 58 14.305 -9.429 13.780 1.00 0.00 H ATOM 362 N MET A 59 17.364 -10.409 14.726 1.00 40.95 N ATOM 363 CA MET A 59 18.570 -11.232 14.835 1.00 42.50 C ATOM 364 C MET A 59 19.733 -10.576 14.062 1.00 41.70 C ATOM 365 O MET A 59 20.884 -10.714 14.471 1.00 40.70 O ATOM 366 CB MET A 59 18.259 -12.631 14.260 1.00 46.54 C ATOM 367 CG MET A 59 19.442 -13.600 14.188 1.00 52.94 C ATOM 368 SD MET A 59 19.685 -14.676 15.626 1.00 62.96 S ATOM 369 CE MET A 59 18.040 -15.418 15.797 1.00 61.36 C ATOM 370 H MET A 59 16.575 -10.801 14.173 1.00 0.00 H ATOM 371 N ILE A 60 19.416 -9.864 12.961 1.00 35.89 N ATOM 372 CA ILE A 60 20.368 -9.207 12.045 1.00 33.88 C ATOM 373 C ILE A 60 20.520 -7.712 12.317 1.00 35.53 C ATOM 374 O ILE A 60 21.644 -7.210 12.387 1.00 35.49 O ATOM 375 CB ILE A 60 19.943 -9.455 10.555 1.00 36.22 C ATOM 376 CG1 ILE A 60 19.653 -10.968 10.254 1.00 38.72 C ATOM 377 CG2 ILE A 60 20.944 -8.844 9.544 1.00 36.12 C ATOM 378 CD1 ILE A 60 20.797 -11.982 10.493 1.00 45.36 C ATOM 379 H ILE A 60 18.405 -9.769 12.737 1.00 0.00 H ATOM 380 N ILE A 61 19.393 -6.999 12.406 1.00 30.64 N ATOM 381 CA ILE A 61 19.360 -5.544 12.580 1.00 29.94 C ATOM 382 C ILE A 61 19.233 -5.164 14.057 1.00 36.53 C ATOM 383 O ILE A 61 18.177 -5.359 14.663 1.00 36.57 O ATOM 384 CB ILE A 61 18.254 -4.931 11.673 1.00 31.28 C ATOM 385 CG1 ILE A 61 18.462 -5.314 10.174 1.00 29.98 C ATOM 386 CG2 ILE A 61 18.096 -3.413 11.877 1.00 31.01 C ATOM 387 CD1 ILE A 61 19.894 -5.013 9.548 1.00 34.55 C ATOM 388 H ILE A 61 18.487 -7.506 12.348 1.00 0.00 H ATOM 389 N LYS A 62 20.329 -4.619 14.622 1.00 34.55 N ATOM 390 CA LYS A 62 20.418 -4.240 16.033 1.00 37.02 C ATOM 391 C LYS A 62 20.003 -2.797 16.286 1.00 43.02 C ATOM 392 O LYS A 62 19.643 -2.452 17.415 1.00 45.37 O ATOM 393 CB LYS A 62 21.842 -4.497 16.579 1.00 40.44 C ATOM 394 CG LYS A 62 22.311 -5.952 16.478 1.00 45.65 C ATOM 395 CD LYS A 62 21.558 -6.871 17.435 1.00 55.19 C ATOM 396 CE LYS A 62 21.293 -8.221 16.830 1.00 57.40 C ATOM 397 NZ LYS A 62 20.353 -8.998 17.673 1.00 62.45 N ATOM 398 HZ1 LYS A 62 20.764 -9.128 18.619 1.00 0.00 H ATOM 399 HZ2 LYS A 62 19.453 -8.482 17.753 1.00 0.00 H ATOM 400 HZ3 LYS A 62 20.184 -9.927 17.236 1.00 0.00 H ATOM 401 H LYS A 62 21.161 -4.458 14.019 1.00 0.00 H ATOM 402 N HIS A 63 20.076 -1.944 15.254 1.00 38.05 N ATOM 403 CA HIS A 63 19.720 -0.535 15.387 1.00 38.38 C ATOM 404 C HIS A 63 18.645 -0.156 14.352 1.00 38.60 C ATOM 405 O HIS A 63 18.957 0.466 13.326 1.00 36.29 O ATOM 406 CB HIS A 63 20.987 0.341 15.325 1.00 39.98 C ATOM 407 CG HIS A 63 22.049 -0.091 16.297 1.00 46.19 C ATOM 408 ND1 HIS A 63 21.966 0.221 17.645 1.00 50.96 N ATOM 409 CD2 HIS A 63 23.159 -0.839 16.092 1.00 48.91 C ATOM 410 CE1 HIS A 63 23.036 -0.321 18.209 1.00 52.25 C ATOM 411 NE2 HIS A 63 23.784 -0.969 17.317 1.00 51.48 N ATOM 412 H HIS A 63 20.396 -2.298 14.330 1.00 0.00 H ATOM 413 N PRO A 64 17.371 -0.573 14.578 1.00 35.79 N ATOM 414 CA PRO A 64 16.321 -0.278 13.584 1.00 34.97 C ATOM 415 C PRO A 64 15.984 1.207 13.459 1.00 37.51 C ATOM 416 O PRO A 64 16.183 1.978 14.398 1.00 37.40 O ATOM 417 CB PRO A 64 15.119 -1.099 14.070 1.00 38.37 C ATOM 418 CG PRO A 64 15.340 -1.273 15.528 1.00 45.18 C ATOM 419 CD PRO A 64 16.830 -1.341 15.723 1.00 40.06 C ATOM 420 N MET A 65 15.498 1.604 12.282 1.00 32.40 N ATOM 421 CA MET A 65 15.102 2.986 11.984 1.00 31.40 C ATOM 422 C MET A 65 14.086 2.960 10.854 1.00 35.77 C ATOM 423 O MET A 65 14.108 2.051 10.025 1.00 34.52 O ATOM 424 CB MET A 65 16.329 3.857 11.625 1.00 31.97 C ATOM 425 CG MET A 65 16.051 5.377 11.596 1.00 35.05 C ATOM 426 SD MET A 65 15.170 6.058 13.032 1.00 40.48 S ATOM 427 CE MET A 65 16.368 5.758 14.355 1.00 38.38 C ATOM 428 H MET A 65 15.393 0.892 11.531 1.00 0.00 H ATOM 429 N ASP A 66 13.187 3.942 10.842 1.00 34.03 N ATOM 430 CA ASP A 66 12.115 4.084 9.855 1.00 34.64 C ATOM 431 C ASP A 66 11.673 5.541 9.850 1.00 38.77 C ATOM 432 O ASP A 66 11.977 6.266 10.801 1.00 37.74 O ATOM 433 CB ASP A 66 10.928 3.161 10.201 1.00 37.79 C ATOM 434 CG ASP A 66 10.286 3.474 11.538 1.00 48.72 C ATOM 435 OD1 ASP A 66 10.803 2.999 12.566 1.00 50.20 O ATOM 436 OD2 ASP A 66 9.292 4.235 11.557 1.00 49.72 O ATOM 437 H ASP A 66 13.251 4.662 11.590 1.00 0.00 H ATOM 438 N PHE A 67 10.942 5.958 8.801 1.00 36.83 N ATOM 439 CA PHE A 67 10.434 7.329 8.637 1.00 37.69 C ATOM 440 C PHE A 67 9.559 7.819 9.791 1.00 44.03 C ATOM 441 O PHE A 67 9.658 8.989 10.163 1.00 44.48 O ATOM 442 CB PHE A 67 9.687 7.485 7.303 1.00 40.79 C ATOM 443 CG PHE A 67 10.541 7.528 6.054 1.00 41.29 C ATOM 444 CD1 PHE A 67 11.688 8.315 6.001 1.00 42.59 C ATOM 445 CD2 PHE A 67 10.152 6.854 4.904 1.00 44.08 C ATOM 446 CE1 PHE A 67 12.449 8.392 4.833 1.00 43.44 C ATOM 447 CE2 PHE A 67 10.915 6.929 3.736 1.00 46.34 C ATOM 448 CZ PHE A 67 12.051 7.706 3.704 1.00 43.23 C ATOM 449 H PHE A 67 10.721 5.266 8.057 1.00 0.00 H ATOM 450 N GLY A 68 8.712 6.932 10.322 1.00 41.71 N ATOM 451 CA GLY A 68 7.801 7.220 11.429 1.00 43.61 C ATOM 452 C GLY A 68 8.535 7.562 12.708 1.00 46.39 C ATOM 453 O GLY A 68 8.168 8.524 13.389 1.00 47.19 O ATOM 454 H GLY A 68 8.700 5.973 9.921 1.00 0.00 H ATOM 455 N THR A 69 9.605 6.793 13.019 1.00 41.36 N ATOM 456 CA THR A 69 10.460 7.026 14.187 1.00 41.20 C ATOM 457 C THR A 69 11.153 8.382 14.029 1.00 43.40 C ATOM 458 O THR A 69 11.200 9.153 14.984 1.00 44.36 O ATOM 459 CB THR A 69 11.435 5.852 14.388 1.00 46.80 C ATOM 460 OG1 THR A 69 10.669 4.682 14.652 1.00 47.40 O ATOM 461 CG2 THR A 69 12.401 6.073 15.551 1.00 44.89 C ATOM 462 HG1 THR A 69 10.070 4.501 13.885 1.00 0.00 H ATOM 463 H THR A 69 9.833 5.993 12.395 1.00 0.00 H ATOM 464 N MET A 70 11.651 8.680 12.810 1.00 37.12 N ATOM 465 CA MET A 70 12.290 9.956 12.493 1.00 35.59 C ATOM 466 C MET A 70 11.280 11.109 12.635 1.00 41.05 C ATOM 467 O MET A 70 11.620 12.151 13.197 1.00 40.21 O ATOM 468 CB MET A 70 12.861 9.923 11.081 1.00 36.13 C ATOM 469 CG MET A 70 14.113 9.064 10.963 1.00 37.94 C ATOM 470 SD MET A 70 14.535 8.741 9.245 1.00 40.54 S ATOM 471 CE MET A 70 15.138 10.287 8.746 1.00 38.02 C ATOM 472 H MET A 70 11.576 7.965 12.058 1.00 0.00 H ATOM 473 N LYS A 71 10.032 10.904 12.156 1.00 39.90 N ATOM 474 CA LYS A 71 8.954 11.896 12.261 1.00 41.54 C ATOM 475 C LYS A 71 8.704 12.259 13.732 1.00 47.90 C ATOM 476 O LYS A 71 8.666 13.447 14.055 1.00 47.43 O ATOM 477 CB LYS A 71 7.663 11.395 11.570 1.00 45.53 C ATOM 478 CG LYS A 71 6.437 12.314 11.718 1.00 59.48 C ATOM 479 CD LYS A 71 6.551 13.628 10.941 1.00 66.66 C ATOM 480 CE LYS A 71 5.363 14.525 11.198 1.00 78.71 C ATOM 481 NZ LYS A 71 5.461 15.802 10.445 1.00 85.73 N ATOM 482 HZ1 LYS A 71 6.322 16.309 10.735 1.00 0.00 H ATOM 483 HZ2 LYS A 71 5.503 15.600 9.426 1.00 0.00 H ATOM 484 HZ3 LYS A 71 4.627 16.388 10.649 1.00 0.00 H ATOM 485 H LYS A 71 9.825 9.998 11.690 1.00 0.00 H ATOM 486 N ASP A 72 8.593 11.238 14.618 1.00 46.37 N ATOM 487 CA ASP A 72 8.371 11.420 16.063 1.00 48.35 C ATOM 488 C ASP A 72 9.537 12.156 16.711 1.00 51.29 C ATOM 489 O ASP A 72 9.326 12.913 17.651 1.00 52.79 O ATOM 490 CB ASP A 72 8.119 10.076 16.774 1.00 51.18 C ATOM 491 CG ASP A 72 6.925 9.284 16.264 1.00 62.27 C ATOM 492 OD1 ASP A 72 5.946 9.911 15.795 1.00 63.94 O ATOM 493 OD2 ASP A 72 6.957 8.040 16.359 1.00 69.07 O ATOM 494 H ASP A 72 8.669 10.266 14.255 1.00 0.00 H ATOM 495 N LYS A 73 10.765 11.941 16.205 1.00 45.04 N ATOM 496 CA LYS A 73 11.952 12.627 16.705 1.00 44.06 C ATOM 497 C LYS A 73 11.918 14.114 16.318 1.00 48.15 C ATOM 498 O LYS A 73 12.282 14.947 17.146 1.00 49.44 O ATOM 499 CB LYS A 73 13.240 11.927 16.241 1.00 44.35 C ATOM 500 CG LYS A 73 13.508 10.597 16.951 1.00 46.53 C ATOM 501 CD LYS A 73 14.808 9.924 16.498 1.00 49.29 C ATOM 502 CE LYS A 73 16.056 10.559 17.080 1.00 58.12 C ATOM 503 NZ LYS A 73 17.275 9.752 16.804 1.00 59.05 N ATOM 504 HZ1 LYS A 73 17.166 8.807 17.224 1.00 0.00 H ATOM 505 HZ2 LYS A 73 17.405 9.663 15.776 1.00 0.00 H ATOM 506 HZ3 LYS A 73 18.103 10.224 17.220 1.00 0.00 H ATOM 507 H LYS A 73 10.872 11.259 15.427 1.00 0.00 H ATOM 508 N ILE A 74 11.421 14.455 15.101 1.00 44.21 N ATOM 509 CA ILE A 74 11.280 15.858 14.661 1.00 44.81 C ATOM 510 C ILE A 74 10.250 16.561 15.552 1.00 51.69 C ATOM 511 O ILE A 74 10.552 17.621 16.103 1.00 52.12 O ATOM 512 CB ILE A 74 10.924 16.030 13.150 1.00 47.26 C ATOM 513 CG1 ILE A 74 11.990 15.407 12.218 1.00 44.99 C ATOM 514 CG2 ILE A 74 10.690 17.524 12.805 1.00 48.90 C ATOM 515 CD1 ILE A 74 11.515 15.229 10.734 1.00 50.05 C ATOM 516 H ILE A 74 11.128 13.697 14.452 1.00 0.00 H ATOM 517 N VAL A 75 9.053 15.949 15.711 1.00 50.44 N ATOM 518 CA VAL A 75 7.938 16.453 16.535 1.00 53.65 C ATOM 519 C VAL A 75 8.381 16.671 18.000 1.00 60.39 C ATOM 520 O VAL A 75 8.064 17.711 18.585 1.00 61.92 O ATOM 521 CB VAL A 75 6.677 15.538 16.414 1.00 59.43 C ATOM 522 CG1 VAL A 75 5.563 15.962 17.377 1.00 62.79 C ATOM 523 CG2 VAL A 75 6.153 15.505 14.979 1.00 58.89 C ATOM 524 H VAL A 75 8.907 15.049 15.211 1.00 0.00 H ATOM 525 N ALA A 76 9.141 15.713 18.570 1.00 56.83 N ATOM 526 CA ALA A 76 9.634 15.797 19.952 1.00 58.65 C ATOM 527 C ALA A 76 10.883 16.688 20.110 1.00 62.45 C ATOM 528 O ALA A 76 11.366 16.846 21.233 1.00 64.61 O ATOM 529 CB ALA A 76 9.903 14.402 20.505 1.00 59.55 C ATOM 530 H ALA A 76 9.390 14.876 18.005 1.00 0.00 H ATOM 531 N ASN A 77 11.381 17.290 18.996 1.00 56.44 N ATOM 532 CA ASN A 77 12.559 18.172 18.942 1.00 55.32 C ATOM 533 C ASN A 77 13.839 17.444 19.419 1.00 58.09 C ATOM 534 O ASN A 77 14.638 17.992 20.182 1.00 58.08 O ATOM 535 CB ASN A 77 12.304 19.509 19.689 1.00 59.18 C ATOM 536 CG ASN A 77 13.159 20.665 19.221 1.00 82.10 C ATOM 537 OD1 ASN A 77 13.138 21.063 18.050 1.00 73.23 O ATOM 538 ND2 ASN A 77 13.897 21.264 20.144 1.00 77.97 N ATOM 539 HD22 ASN A 77 13.896 20.909 21.121 1.00 0.00 H ATOM 540 HD21 ASN A 77 14.477 22.089 19.891 1.00 0.00 H ATOM 541 H ASN A 77 10.884 17.111 18.100 1.00 0.00 H ATOM 542 N GLU A 78 14.018 16.197 18.936 1.00 53.42 N ATOM 543 CA GLU A 78 15.136 15.311 19.259 1.00 52.91 C ATOM 544 C GLU A 78 16.341 15.458 18.332 1.00 55.14 C ATOM 545 O GLU A 78 17.385 14.851 18.590 1.00 55.35 O ATOM 546 CB GLU A 78 14.660 13.850 19.310 1.00 54.02 C ATOM 547 CG GLU A 78 14.551 13.311 20.725 1.00 67.27 C ATOM 548 CD GLU A 78 13.349 12.428 20.990 1.00 88.38 C ATOM 549 OE1 GLU A 78 13.186 11.406 20.284 1.00 82.00 O ATOM 550 OE2 GLU A 78 12.584 12.743 21.929 1.00 85.61 O ATOM 551 H GLU A 78 13.299 15.835 18.277 1.00 0.00 H ATOM 552 N TYR A 79 16.210 16.237 17.247 1.00 49.49 N ATOM 553 CA TYR A 79 17.344 16.425 16.349 1.00 47.39 C ATOM 554 C TYR A 79 17.997 17.768 16.618 1.00 52.11 C ATOM 555 O TYR A 79 17.329 18.803 16.532 1.00 52.34 O ATOM 556 CB TYR A 79 16.942 16.284 14.873 1.00 46.17 C ATOM 557 CG TYR A 79 16.568 14.883 14.446 1.00 45.49 C ATOM 558 CD1 TYR A 79 17.522 13.867 14.399 1.00 46.11 C ATOM 559 CD2 TYR A 79 15.273 14.581 14.036 1.00 45.65 C ATOM 560 CE1 TYR A 79 17.186 12.578 13.985 1.00 44.42 C ATOM 561 CE2 TYR A 79 14.933 13.304 13.595 1.00 45.20 C ATOM 562 CZ TYR A 79 15.888 12.300 13.590 1.00 49.12 C ATOM 563 OH TYR A 79 15.546 11.040 13.167 1.00 45.61 O ATOM 564 HH TYR A 79 16.337 10.447 13.226 1.00 0.00 H ATOM 565 H TYR A 79 15.303 16.705 17.047 1.00 0.00 H ATOM 566 N LYS A 80 19.283 17.752 16.997 1.00 49.03 N ATOM 567 CA LYS A 80 20.005 18.995 17.272 1.00 50.67 C ATOM 568 C LYS A 80 20.674 19.534 16.006 1.00 52.13 C ATOM 569 O LYS A 80 21.014 20.716 15.949 1.00 53.19 O ATOM 570 CB LYS A 80 20.978 18.853 18.468 1.00 56.49 C ATOM 571 CG LYS A 80 20.339 18.639 19.835 1.00 76.56 C ATOM 572 CD LYS A 80 21.401 18.490 20.924 1.00 91.68 C ATOM 573 CE LYS A 80 20.803 18.299 22.299 1.00101.94 C ATOM 574 NZ LYS A 80 21.851 18.132 23.339 1.00111.96 N ATOM 575 HZ1 LYS A 80 22.430 17.297 23.115 1.00 0.00 H ATOM 576 HZ2 LYS A 80 22.455 18.978 23.360 1.00 0.00 H ATOM 577 HZ3 LYS A 80 21.399 18.004 24.267 1.00 0.00 H ATOM 578 H LYS A 80 19.775 16.841 17.097 1.00 0.00 H ATOM 579 N SER A 81 20.835 18.669 14.984 1.00 45.38 N ATOM 580 CA SER A 81 21.450 19.037 13.714 1.00 44.00 C ATOM 581 C SER A 81 20.892 18.233 12.540 1.00 46.05 C ATOM 582 O SER A 81 20.292 17.170 12.745 1.00 43.12 O ATOM 583 CB SER A 81 22.963 18.844 13.789 1.00 47.39 C ATOM 584 OG SER A 81 23.314 17.471 13.814 1.00 49.74 O ATOM 585 HG SER A 81 24.299 17.384 13.863 1.00 0.00 H ATOM 586 H SER A 81 20.504 17.691 15.108 1.00 0.00 H ATOM 587 N VAL A 82 21.138 18.727 11.304 1.00 43.68 N ATOM 588 CA VAL A 82 20.766 18.047 10.056 1.00 42.82 C ATOM 589 C VAL A 82 21.622 16.771 9.928 1.00 45.70 C ATOM 590 O VAL A 82 21.112 15.752 9.464 1.00 44.52 O ATOM 591 CB VAL A 82 20.872 18.978 8.816 1.00 48.13 C ATOM 592 CG1 VAL A 82 20.615 18.219 7.513 1.00 47.46 C ATOM 593 CG2 VAL A 82 19.914 20.158 8.937 1.00 48.98 C ATOM 594 H VAL A 82 21.621 19.646 11.233 1.00 0.00 H ATOM 595 N THR A 83 22.901 16.822 10.389 1.00 43.04 N ATOM 596 CA THR A 83 23.851 15.703 10.412 1.00 43.08 C ATOM 597 C THR A 83 23.245 14.493 11.145 1.00 45.35 C ATOM 598 O THR A 83 23.273 13.389 10.598 1.00 43.14 O ATOM 599 CB THR A 83 25.210 16.165 10.978 1.00 52.24 C ATOM 600 OG1 THR A 83 25.764 17.114 10.070 1.00 55.51 O ATOM 601 CG2 THR A 83 26.205 15.014 11.179 1.00 51.13 C ATOM 602 HG1 THR A 83 25.149 17.885 9.984 1.00 0.00 H ATOM 603 H THR A 83 23.235 17.735 10.758 1.00 0.00 H ATOM 604 N GLU A 84 22.663 14.719 12.352 1.00 41.69 N ATOM 605 CA GLU A 84 21.987 13.692 13.161 1.00 40.47 C ATOM 606 C GLU A 84 20.813 13.075 12.393 1.00 42.17 C ATOM 607 O GLU A 84 20.641 11.854 12.415 1.00 40.94 O ATOM 608 CB GLU A 84 21.484 14.277 14.488 1.00 42.95 C ATOM 609 CG GLU A 84 22.562 14.382 15.553 1.00 54.05 C ATOM 610 CD GLU A 84 22.136 14.879 16.924 1.00 68.11 C ATOM 611 OE1 GLU A 84 20.927 15.121 17.142 1.00 51.20 O ATOM 612 OE2 GLU A 84 23.027 15.014 17.791 1.00 69.55 O ATOM 613 H GLU A 84 22.698 15.687 12.731 1.00 0.00 H ATOM 614 N PHE A 85 20.014 13.926 11.715 1.00 37.68 N ATOM 615 CA PHE A 85 18.885 13.516 10.881 1.00 35.72 C ATOM 616 C PHE A 85 19.388 12.644 9.716 1.00 37.10 C ATOM 617 O PHE A 85 18.851 11.565 9.496 1.00 35.60 O ATOM 618 CB PHE A 85 18.116 14.750 10.381 1.00 37.50 C ATOM 619 CG PHE A 85 16.948 14.449 9.473 1.00 38.29 C ATOM 620 CD1 PHE A 85 15.721 14.062 9.998 1.00 40.93 C ATOM 621 CD2 PHE A 85 17.078 14.547 8.091 1.00 40.25 C ATOM 622 CE1 PHE A 85 14.642 13.782 9.158 1.00 42.92 C ATOM 623 CE2 PHE A 85 16.000 14.255 7.248 1.00 43.62 C ATOM 624 CZ PHE A 85 14.791 13.867 7.787 1.00 42.34 C ATOM 625 H PHE A 85 20.215 14.943 11.791 1.00 0.00 H ATOM 626 N LYS A 86 20.436 13.100 9.000 1.00 34.79 N ATOM 627 CA LYS A 86 21.064 12.361 7.889 1.00 34.66 C ATOM 628 C LYS A 86 21.569 10.991 8.344 1.00 37.91 C ATOM 629 O LYS A 86 21.419 10.014 7.606 1.00 35.64 O ATOM 630 CB LYS A 86 22.227 13.166 7.289 1.00 37.71 C ATOM 631 CG LYS A 86 21.784 14.355 6.442 1.00 39.53 C ATOM 632 CD LYS A 86 22.956 15.293 6.106 1.00 44.88 C ATOM 633 CE LYS A 86 23.987 14.693 5.173 1.00 53.74 C ATOM 634 NZ LYS A 86 25.022 15.696 4.798 1.00 63.83 N ATOM 635 HZ1 LYS A 86 24.567 16.499 4.319 1.00 0.00 H ATOM 636 HZ2 LYS A 86 25.505 16.031 5.656 1.00 0.00 H ATOM 637 HZ3 LYS A 86 25.714 15.256 4.159 1.00 0.00 H ATOM 638 H LYS A 86 20.826 14.032 9.247 1.00 0.00 H ATOM 639 N ALA A 87 22.150 10.916 9.566 1.00 36.22 N ATOM 640 CA ALA A 87 22.655 9.664 10.140 1.00 36.18 C ATOM 641 C ALA A 87 21.526 8.637 10.356 1.00 37.72 C ATOM 642 O ALA A 87 21.720 7.456 10.058 1.00 34.81 O ATOM 643 CB ALA A 87 23.378 9.936 11.451 1.00 38.69 C ATOM 644 H ALA A 87 22.242 11.789 10.124 1.00 0.00 H ATOM 645 N ASP A 88 20.348 9.082 10.859 1.00 34.36 N ATOM 646 CA ASP A 88 19.201 8.179 11.063 1.00 33.62 C ATOM 647 C ASP A 88 18.671 7.689 9.714 1.00 36.02 C ATOM 648 O ASP A 88 18.346 6.510 9.561 1.00 33.81 O ATOM 649 CB ASP A 88 18.085 8.875 11.860 1.00 36.47 C ATOM 650 CG ASP A 88 18.196 8.771 13.368 1.00 43.87 C ATOM 651 OD1 ASP A 88 19.186 8.186 13.856 1.00 44.01 O ATOM 652 OD2 ASP A 88 17.278 9.250 14.060 1.00 47.07 O ATOM 653 H ASP A 88 20.251 10.087 11.107 1.00 0.00 H ATOM 654 N PHE A 89 18.617 8.597 8.729 1.00 33.11 N ATOM 655 CA PHE A 89 18.176 8.294 7.372 1.00 32.54 C ATOM 656 C PHE A 89 19.084 7.232 6.729 1.00 33.12 C ATOM 657 O PHE A 89 18.582 6.247 6.172 1.00 31.92 O ATOM 658 CB PHE A 89 18.158 9.579 6.531 1.00 35.25 C ATOM 659 CG PHE A 89 17.878 9.328 5.075 1.00 37.34 C ATOM 660 CD1 PHE A 89 16.631 8.874 4.660 1.00 41.45 C ATOM 661 CD2 PHE A 89 18.863 9.528 4.118 1.00 39.27 C ATOM 662 CE1 PHE A 89 16.375 8.642 3.314 1.00 43.04 C ATOM 663 CE2 PHE A 89 18.608 9.284 2.774 1.00 43.11 C ATOM 664 CZ PHE A 89 17.371 8.837 2.381 1.00 41.72 C ATOM 665 H PHE A 89 18.906 9.573 8.945 1.00 0.00 H ATOM 666 N LYS A 90 20.417 7.438 6.813 1.00 29.30 N ATOM 667 CA LYS A 90 21.418 6.513 6.284 1.00 29.39 C ATOM 668 C LYS A 90 21.298 5.153 6.978 1.00 33.49 C ATOM 669 O LYS A 90 21.371 4.128 6.305 1.00 31.89 O ATOM 670 CB LYS A 90 22.836 7.075 6.449 1.00 32.15 C ATOM 671 CG LYS A 90 23.912 6.179 5.807 1.00 34.44 C ATOM 672 CD LYS A 90 25.292 6.818 5.847 1.00 39.01 C ATOM 673 CE LYS A 90 26.341 5.936 5.214 1.00 44.68 C ATOM 674 NZ LYS A 90 26.598 4.710 6.026 1.00 43.53 N ATOM 675 HZ1 LYS A 90 26.930 4.986 6.972 1.00 0.00 H ATOM 676 HZ2 LYS A 90 25.718 4.162 6.112 1.00 0.00 H ATOM 677 HZ3 LYS A 90 27.324 4.131 5.557 1.00 0.00 H ATOM 678 H LYS A 90 20.750 8.305 7.281 1.00 0.00 H ATOM 679 N LEU A 91 21.078 5.151 8.309 1.00 31.02 N ATOM 680 CA LEU A 91 20.904 3.929 9.097 1.00 30.24 C ATOM 681 C LEU A 91 19.716 3.105 8.589 1.00 32.65 C ATOM 682 O LEU A 91 19.849 1.893 8.410 1.00 31.22 O ATOM 683 CB LEU A 91 20.763 4.266 10.592 1.00 30.99 C ATOM 684 CG LEU A 91 20.362 3.122 11.559 1.00 34.73 C ATOM 685 CD1 LEU A 91 21.446 2.034 11.632 1.00 34.70 C ATOM 686 CD2 LEU A 91 20.068 3.681 12.941 1.00 37.31 C ATOM 687 H LEU A 91 21.029 6.066 8.802 1.00 0.00 H ATOM 688 N MET A 92 18.579 3.768 8.326 1.00 29.04 N ATOM 689 CA MET A 92 17.371 3.123 7.801 1.00 28.72 C ATOM 690 C MET A 92 17.677 2.411 6.466 1.00 31.69 C ATOM 691 O MET A 92 17.341 1.237 6.317 1.00 30.48 O ATOM 692 CB MET A 92 16.253 4.169 7.638 1.00 31.27 C ATOM 693 CG MET A 92 14.941 3.598 7.132 1.00 34.87 C ATOM 694 SD MET A 92 13.801 4.909 6.645 1.00 39.77 S ATOM 695 CE MET A 92 14.537 5.416 5.089 1.00 36.35 C ATOM 696 H MET A 92 18.553 4.792 8.504 1.00 0.00 H ATOM 697 N CYS A 93 18.353 3.109 5.532 1.00 28.54 N ATOM 698 CA CYS A 93 18.736 2.568 4.216 1.00 28.93 C ATOM 699 C CYS A 93 19.769 1.454 4.343 1.00 32.06 C ATOM 700 O CYS A 93 19.616 0.416 3.691 1.00 30.83 O ATOM 701 CB CYS A 93 19.231 3.683 3.298 1.00 29.46 C ATOM 702 SG CYS A 93 17.993 4.955 2.950 1.00 34.01 S ATOM 703 H CYS A 93 18.621 4.089 5.754 1.00 0.00 H ATOM 704 N ASP A 94 20.810 1.651 5.197 1.00 28.64 N ATOM 705 CA ASP A 94 21.841 0.644 5.445 1.00 28.81 C ATOM 706 C ASP A 94 21.232 -0.643 6.012 1.00 31.76 C ATOM 707 O ASP A 94 21.659 -1.722 5.613 1.00 30.42 O ATOM 708 CB ASP A 94 22.941 1.170 6.389 1.00 31.29 C ATOM 709 CG ASP A 94 23.882 2.196 5.781 1.00 38.33 C ATOM 710 OD1 ASP A 94 23.926 2.305 4.526 1.00 38.45 O ATOM 711 OD2 ASP A 94 24.592 2.873 6.552 1.00 39.31 O ATOM 712 H ASP A 94 20.875 2.561 5.697 1.00 0.00 H ATOM 713 N ASN A 95 20.218 -0.533 6.898 1.00 28.75 N ATOM 714 CA ASN A 95 19.547 -1.703 7.495 1.00 28.50 C ATOM 715 C ASN A 95 18.859 -2.533 6.421 1.00 30.85 C ATOM 716 O ASN A 95 19.038 -3.752 6.380 1.00 28.97 O ATOM 717 CB ASN A 95 18.536 -1.267 8.559 1.00 27.93 C ATOM 718 CG ASN A 95 19.157 -0.765 9.838 1.00 34.90 C ATOM 719 OD1 ASN A 95 20.310 -1.059 10.158 1.00 28.27 O ATOM 720 ND2 ASN A 95 18.370 -0.069 10.642 1.00 29.75 N ATOM 721 HD22 ASN A 95 17.401 0.165 10.346 1.00 0.00 H ATOM 722 HD21 ASN A 95 18.720 0.244 11.570 1.00 0.00 H ATOM 723 H ASN A 95 19.897 0.418 7.171 1.00 0.00 H ATOM 724 N ALA A 96 18.118 -1.860 5.521 1.00 26.93 N ATOM 725 CA ALA A 96 17.422 -2.523 4.425 1.00 27.50 C ATOM 726 C ALA A 96 18.404 -3.185 3.462 1.00 30.12 C ATOM 727 O ALA A 96 18.094 -4.242 2.931 1.00 29.61 O ATOM 728 CB ALA A 96 16.531 -1.536 3.693 1.00 29.00 C ATOM 729 H ALA A 96 18.039 -0.827 5.611 1.00 0.00 H ATOM 730 N MET A 97 19.601 -2.589 3.267 1.00 26.92 N ATOM 731 CA MET A 97 20.617 -3.168 2.374 1.00 26.68 C ATOM 732 C MET A 97 21.410 -4.297 3.046 1.00 30.02 C ATOM 733 O MET A 97 21.990 -5.133 2.353 1.00 28.98 O ATOM 734 CB MET A 97 21.532 -2.083 1.783 1.00 29.95 C ATOM 735 CG MET A 97 20.785 -1.106 0.871 1.00 34.57 C ATOM 736 SD MET A 97 21.865 0.099 0.076 1.00 40.87 S ATOM 737 CE MET A 97 22.137 1.218 1.401 1.00 38.16 C ATOM 738 H MET A 97 19.810 -1.698 3.761 1.00 0.00 H ATOM 739 N THR A 98 21.438 -4.325 4.385 1.00 26.29 N ATOM 740 CA THR A 98 22.106 -5.390 5.141 1.00 26.59 C ATOM 741 C THR A 98 21.176 -6.621 5.234 1.00 30.26 C ATOM 742 O THR A 98 21.630 -7.754 5.042 1.00 29.16 O ATOM 743 CB THR A 98 22.541 -4.873 6.532 1.00 32.40 C ATOM 744 OG1 THR A 98 23.505 -3.840 6.354 1.00 34.00 O ATOM 745 CG2 THR A 98 23.141 -5.973 7.417 1.00 33.33 C ATOM 746 HG1 THR A 98 23.103 -3.102 5.831 1.00 0.00 H ATOM 747 H THR A 98 20.967 -3.561 4.910 1.00 0.00 H ATOM 748 N TYR A 99 19.890 -6.403 5.561 1.00 27.09 N ATOM 749 CA TYR A 99 18.965 -7.528 5.739 1.00 27.77 C ATOM 750 C TYR A 99 18.535 -8.185 4.417 1.00 31.81 C ATOM 751 O TYR A 99 18.454 -9.418 4.348 1.00 30.88 O ATOM 752 CB TYR A 99 17.746 -7.120 6.592 1.00 29.22 C ATOM 753 CG TYR A 99 16.704 -8.208 6.729 1.00 31.50 C ATOM 754 CD1 TYR A 99 16.810 -9.183 7.718 1.00 34.36 C ATOM 755 CD2 TYR A 99 15.616 -8.270 5.865 1.00 32.50 C ATOM 756 CE1 TYR A 99 15.857 -10.200 7.836 1.00 35.17 C ATOM 757 CE2 TYR A 99 14.679 -9.294 5.953 1.00 34.67 C ATOM 758 CZ TYR A 99 14.796 -10.252 6.945 1.00 40.75 C ATOM 759 OH TYR A 99 13.846 -11.243 7.017 1.00 38.82 O ATOM 760 HH TYR A 99 14.060 -11.850 7.770 1.00 0.00 H ATOM 761 H TYR A 99 19.548 -5.429 5.689 1.00 0.00 H ATOM 762 N ASN A 100 18.205 -7.368 3.408 1.00 27.74 N ATOM 763 CA ASN A 100 17.700 -7.811 2.106 1.00 27.72 C ATOM 764 C ASN A 100 18.795 -7.971 1.070 1.00 30.05 C ATOM 765 O ASN A 100 19.711 -7.154 1.029 1.00 28.99 O ATOM 766 CB ASN A 100 16.659 -6.827 1.591 1.00 30.73 C ATOM 767 CG ASN A 100 15.541 -6.572 2.569 1.00 39.65 C ATOM 768 OD1 ASN A 100 14.656 -7.400 2.735 1.00 31.96 O ATOM 769 ND2 ASN A 100 15.581 -5.438 3.269 1.00 28.95 N ATOM 770 HD22 ASN A 100 16.346 -4.753 3.106 1.00 0.00 H ATOM 771 HD21 ASN A 100 14.847 -5.239 3.978 1.00 0.00 H ATOM 772 H ASN A 100 18.315 -6.345 3.560 1.00 0.00 H ATOM 773 N ARG A 101 18.673 -8.994 0.191 1.00 27.68 N ATOM 774 CA ARG A 101 19.653 -9.254 -0.871 1.00 27.48 C ATOM 775 C ARG A 101 19.583 -8.211 -1.982 1.00 31.53 C ATOM 776 O ARG A 101 18.542 -7.569 -2.107 1.00 31.09 O ATOM 777 CB ARG A 101 19.539 -10.689 -1.402 1.00 27.45 C ATOM 778 CG ARG A 101 20.231 -11.664 -0.467 1.00 31.09 C ATOM 779 CD ARG A 101 20.126 -13.089 -0.950 1.00 33.18 C ATOM 780 NE ARG A 101 20.898 -13.990 -0.093 1.00 33.84 N ATOM 781 CZ ARG A 101 21.265 -15.221 -0.434 1.00 39.06 C ATOM 782 NH1 ARG A 101 20.927 -15.717 -1.618 1.00 30.71 N ATOM 783 NH2 ARG A 101 21.985 -15.961 0.400 1.00 32.66 N ATOM 784 HE ARG A 101 21.178 -13.643 0.847 1.00 0.00 H ATOM 785 HH12 ARG A 101 21.217 -16.681 -1.880 1.00 0.00 H ATOM 786 HH11 ARG A 101 20.372 -15.142 -2.284 1.00 0.00 H ATOM 787 HH22 ARG A 101 22.269 -16.924 0.128 1.00 0.00 H ATOM 788 HH21 ARG A 101 22.265 -15.578 1.326 1.00 0.00 H ATOM 789 H ARG A 101 17.849 -9.623 0.272 1.00 0.00 H ATOM 790 N PRO A 102 20.660 -8.004 -2.792 1.00 29.85 N ATOM 791 CA PRO A 102 20.636 -6.914 -3.788 1.00 30.92 C ATOM 792 C PRO A 102 19.560 -6.968 -4.872 1.00 36.10 C ATOM 793 O PRO A 102 19.207 -5.911 -5.402 1.00 36.59 O ATOM 794 CB PRO A 102 22.037 -6.968 -4.404 1.00 33.21 C ATOM 795 CG PRO A 102 22.885 -7.583 -3.333 1.00 35.13 C ATOM 796 CD PRO A 102 21.994 -8.643 -2.757 1.00 30.55 C ATOM 797 N ASP A 103 19.029 -8.163 -5.193 1.00 32.86 N ATOM 798 CA ASP A 103 18.009 -8.302 -6.239 1.00 34.36 C ATOM 799 C ASP A 103 16.569 -8.151 -5.714 1.00 39.45 C ATOM 800 O ASP A 103 15.620 -8.480 -6.428 1.00 42.09 O ATOM 801 CB ASP A 103 18.202 -9.622 -7.020 1.00 37.20 C ATOM 802 CG ASP A 103 18.134 -10.900 -6.192 1.00 42.34 C ATOM 803 OD1 ASP A 103 18.128 -10.803 -4.932 1.00 39.32 O ATOM 804 OD2 ASP A 103 18.146 -11.997 -6.795 1.00 44.64 O ATOM 805 H ASP A 103 19.351 -9.012 -4.685 1.00 0.00 H ATOM 806 N THR A 104 16.407 -7.615 -4.494 1.00 34.66 N ATOM 807 CA THR A 104 15.098 -7.422 -3.856 1.00 34.45 C ATOM 808 C THR A 104 14.571 -5.993 -3.980 1.00 39.14 C ATOM 809 O THR A 104 15.353 -5.044 -4.091 1.00 36.52 O ATOM 810 CB THR A 104 15.140 -7.847 -2.372 1.00 36.59 C ATOM 811 OG1 THR A 104 15.932 -6.909 -1.634 1.00 33.42 O ATOM 812 CG2 THR A 104 15.640 -9.286 -2.164 1.00 33.53 C ATOM 813 HG1 THR A 104 16.851 -6.894 -2.001 1.00 0.00 H ATOM 814 H THR A 104 17.256 -7.320 -3.971 1.00 0.00 H ATOM 815 N VAL A 105 13.236 -5.843 -3.903 1.00 38.76 N ATOM 816 CA VAL A 105 12.538 -4.553 -3.961 1.00 39.94 C ATOM 817 C VAL A 105 13.032 -3.619 -2.834 1.00 40.98 C ATOM 818 O VAL A 105 13.307 -2.451 -3.090 1.00 40.18 O ATOM 819 CB VAL A 105 10.997 -4.769 -3.944 1.00 46.75 C ATOM 820 CG1 VAL A 105 10.238 -3.497 -3.568 1.00 48.03 C ATOM 821 CG2 VAL A 105 10.507 -5.301 -5.291 1.00 49.70 C ATOM 822 H VAL A 105 12.658 -6.701 -3.795 1.00 0.00 H ATOM 823 N TYR A 106 13.197 -4.156 -1.611 1.00 35.84 N ATOM 824 CA TYR A 106 13.620 -3.380 -0.443 1.00 34.02 C ATOM 825 C TYR A 106 15.037 -2.841 -0.559 1.00 36.30 C ATOM 826 O TYR A 106 15.257 -1.671 -0.240 1.00 35.63 O ATOM 827 CB TYR A 106 13.426 -4.172 0.858 1.00 34.09 C ATOM 828 CG TYR A 106 12.054 -4.795 0.970 1.00 37.00 C ATOM 829 CD1 TYR A 106 10.915 -4.006 1.089 1.00 40.59 C ATOM 830 CD2 TYR A 106 11.890 -6.177 0.919 1.00 37.88 C ATOM 831 CE1 TYR A 106 9.643 -4.573 1.152 1.00 43.73 C ATOM 832 CE2 TYR A 106 10.624 -6.756 0.988 1.00 40.85 C ATOM 833 CZ TYR A 106 9.504 -5.950 1.107 1.00 49.10 C ATOM 834 OH TYR A 106 8.257 -6.514 1.207 1.00 51.67 O ATOM 835 HH TYR A 106 8.221 -7.093 2.010 1.00 0.00 H ATOM 836 H TYR A 106 13.015 -5.173 -1.489 1.00 0.00 H ATOM 837 N TYR A 107 15.994 -3.676 -1.020 1.00 31.14 N ATOM 838 CA TYR A 107 17.387 -3.250 -1.201 1.00 29.19 C ATOM 839 C TYR A 107 17.452 -2.153 -2.285 1.00 33.55 C ATOM 840 O TYR A 107 18.067 -1.114 -2.062 1.00 32.15 O ATOM 841 CB TYR A 107 18.269 -4.449 -1.593 1.00 29.40 C ATOM 842 CG TYR A 107 19.743 -4.140 -1.764 1.00 29.99 C ATOM 843 CD1 TYR A 107 20.208 -3.452 -2.883 1.00 32.99 C ATOM 844 CD2 TYR A 107 20.684 -4.617 -0.856 1.00 29.03 C ATOM 845 CE1 TYR A 107 21.569 -3.199 -3.065 1.00 34.43 C ATOM 846 CE2 TYR A 107 22.048 -4.391 -1.040 1.00 29.33 C ATOM 847 CZ TYR A 107 22.484 -3.667 -2.137 1.00 37.40 C ATOM 848 OH TYR A 107 23.828 -3.455 -2.331 1.00 39.08 O ATOM 849 HH TYR A 107 23.961 -2.924 -3.156 1.00 0.00 H ATOM 850 H TYR A 107 15.734 -4.655 -1.255 1.00 0.00 H ATOM 851 N LYS A 108 16.825 -2.398 -3.453 1.00 33.16 N ATOM 852 CA LYS A 108 16.812 -1.456 -4.576 1.00 35.05 C ATOM 853 C LYS A 108 16.199 -0.115 -4.179 1.00 39.89 C ATOM 854 O LYS A 108 16.771 0.929 -4.497 1.00 39.29 O ATOM 855 CB LYS A 108 16.089 -2.051 -5.789 1.00 39.73 C ATOM 856 CG LYS A 108 16.830 -3.222 -6.434 1.00 43.69 C ATOM 857 CD LYS A 108 16.033 -3.775 -7.590 1.00 47.74 C ATOM 858 CE LYS A 108 16.638 -5.029 -8.147 1.00 53.52 C ATOM 859 NZ LYS A 108 15.804 -5.578 -9.251 1.00 63.44 N ATOM 860 HZ1 LYS A 108 14.854 -5.797 -8.890 1.00 0.00 H ATOM 861 HZ2 LYS A 108 15.733 -4.874 -10.013 1.00 0.00 H ATOM 862 HZ3 LYS A 108 16.245 -6.445 -9.619 1.00 0.00 H ATOM 863 H LYS A 108 16.324 -3.303 -3.563 1.00 0.00 H ATOM 864 N LEU A 109 15.064 -0.142 -3.454 1.00 37.78 N ATOM 865 CA LEU A 109 14.399 1.084 -2.998 1.00 38.77 C ATOM 866 C LEU A 109 15.255 1.831 -1.960 1.00 40.23 C ATOM 867 O LEU A 109 15.374 3.050 -2.055 1.00 41.39 O ATOM 868 CB LEU A 109 12.976 0.795 -2.472 1.00 39.97 C ATOM 869 CG LEU A 109 12.116 2.011 -2.050 1.00 46.00 C ATOM 870 CD1 LEU A 109 11.880 2.969 -3.214 1.00 49.04 C ATOM 871 CD2 LEU A 109 10.791 1.564 -1.486 1.00 50.61 C ATOM 872 H LEU A 109 14.645 -1.062 -3.209 1.00 0.00 H ATOM 873 N ALA A 110 15.902 1.105 -1.022 1.00 34.46 N ATOM 874 CA ALA A 110 16.785 1.716 -0.019 1.00 32.00 C ATOM 875 C ALA A 110 17.978 2.424 -0.675 1.00 36.34 C ATOM 876 O ALA A 110 18.338 3.530 -0.258 1.00 34.69 O ATOM 877 CB ALA A 110 17.282 0.670 0.962 1.00 30.67 C ATOM 878 H ALA A 110 15.770 0.074 -1.009 1.00 0.00 H ATOM 879 N LYS A 111 18.571 1.805 -1.709 1.00 35.37 N ATOM 880 CA LYS A 111 19.700 2.396 -2.434 1.00 37.41 C ATOM 881 C LYS A 111 19.256 3.662 -3.188 1.00 44.66 C ATOM 882 O LYS A 111 19.981 4.660 -3.179 1.00 45.34 O ATOM 883 CB LYS A 111 20.345 1.360 -3.373 1.00 40.89 C ATOM 884 CG LYS A 111 21.690 1.787 -3.951 1.00 52.13 C ATOM 885 CD LYS A 111 22.401 0.605 -4.595 1.00 61.71 C ATOM 886 CE LYS A 111 23.544 1.018 -5.492 1.00 76.92 C ATOM 887 NZ LYS A 111 24.763 1.376 -4.719 1.00 86.35 N ATOM 888 HZ1 LYS A 111 24.548 2.170 -4.083 1.00 0.00 H ATOM 889 HZ2 LYS A 111 25.071 0.555 -4.160 1.00 0.00 H ATOM 890 HZ3 LYS A 111 25.520 1.653 -5.376 1.00 0.00 H ATOM 891 H LYS A 111 18.217 0.873 -2.006 1.00 0.00 H ATOM 892 N LYS A 112 18.042 3.634 -3.778 1.00 43.39 N ATOM 893 CA LYS A 112 17.447 4.762 -4.499 1.00 46.33 C ATOM 894 C LYS A 112 17.170 5.913 -3.533 1.00 50.86 C ATOM 895 O LYS A 112 17.561 7.049 -3.814 1.00 52.34 O ATOM 896 CB LYS A 112 16.148 4.324 -5.202 1.00 51.17 C ATOM 897 CG LYS A 112 15.608 5.324 -6.226 1.00 67.58 C ATOM 898 CD LYS A 112 14.091 5.231 -6.386 1.00 79.43 C ATOM 899 CE LYS A 112 13.648 4.205 -7.404 1.00 93.23 C ATOM 900 NZ LYS A 112 12.167 4.083 -7.445 1.00103.12 N ATOM 901 HZ1 LYS A 112 11.818 3.791 -6.510 1.00 0.00 H ATOM 902 HZ2 LYS A 112 11.752 5.002 -7.700 1.00 0.00 H ATOM 903 HZ3 LYS A 112 11.899 3.371 -8.154 1.00 0.00 H ATOM 904 H LYS A 112 17.493 2.753 -3.717 1.00 0.00 H ATOM 905 N ILE A 113 16.496 5.611 -2.399 1.00 46.00 N ATOM 906 CA ILE A 113 16.134 6.563 -1.350 1.00 45.14 C ATOM 907 C ILE A 113 17.403 7.213 -0.759 1.00 45.92 C ATOM 908 O ILE A 113 17.439 8.439 -0.640 1.00 45.66 O ATOM 909 CB ILE A 113 15.184 5.885 -0.308 1.00 47.70 C ATOM 910 CG1 ILE A 113 13.745 5.768 -0.870 1.00 50.61 C ATOM 911 CG2 ILE A 113 15.170 6.583 1.035 1.00 47.16 C ATOM 912 CD1 ILE A 113 12.738 4.987 0.033 1.00 58.58 C ATOM 913 H ILE A 113 16.212 4.620 -2.262 1.00 0.00 H ATOM 914 N LEU A 114 18.461 6.407 -0.481 1.00 39.95 N ATOM 915 CA LEU A 114 19.746 6.888 0.050 1.00 38.81 C ATOM 916 C LEU A 114 20.386 7.925 -0.879 1.00 46.26 C ATOM 917 O LEU A 114 20.796 8.996 -0.416 1.00 45.22 O ATOM 918 CB LEU A 114 20.732 5.725 0.323 1.00 37.53 C ATOM 919 CG LEU A 114 22.094 6.107 0.939 1.00 42.01 C ATOM 920 CD1 LEU A 114 21.940 6.658 2.359 1.00 41.14 C ATOM 921 CD2 LEU A 114 23.047 4.911 0.954 1.00 43.92 C ATOM 922 H LEU A 114 18.356 5.387 -0.654 1.00 0.00 H ATOM 923 N HIS A 115 20.428 7.618 -2.187 1.00 46.62 N ATOM 924 CA HIS A 115 20.985 8.507 -3.204 1.00 50.79 C ATOM 925 C HIS A 115 20.212 9.823 -3.299 1.00 55.61 C ATOM 926 O HIS A 115 20.837 10.879 -3.357 1.00 56.80 O ATOM 927 CB HIS A 115 21.062 7.799 -4.561 1.00 54.82 C ATOM 928 CG HIS A 115 22.091 8.380 -5.477 1.00 61.92 C ATOM 929 ND1 HIS A 115 21.800 9.456 -6.304 1.00 67.32 N ATOM 930 CD2 HIS A 115 23.381 8.017 -5.667 1.00 64.81 C ATOM 931 CE1 HIS A 115 22.914 9.704 -6.977 1.00 69.14 C ATOM 932 NE2 HIS A 115 23.894 8.863 -6.629 1.00 68.10 N ATOM 933 H HIS A 115 20.044 6.700 -2.491 1.00 0.00 H ATOM 934 N ALA A 116 18.862 9.761 -3.242 1.00 51.94 N ATOM 935 CA ALA A 116 17.976 10.927 -3.295 1.00 53.05 C ATOM 936 C ALA A 116 18.132 11.835 -2.069 1.00 54.60 C ATOM 937 O ALA A 116 18.114 13.058 -2.204 1.00 55.57 O ATOM 938 CB ALA A 116 16.531 10.479 -3.435 1.00 54.45 C ATOM 939 H ALA A 116 18.423 8.822 -3.155 1.00 0.00 H ATOM 940 N GLY A 117 18.300 11.229 -0.897 1.00 47.65 N ATOM 941 CA GLY A 117 18.483 11.951 0.356 1.00 45.74 C ATOM 942 C GLY A 117 19.819 12.649 0.475 1.00 48.97 C ATOM 943 O GLY A 117 19.881 13.774 0.973 1.00 48.70 O ATOM 944 H GLY A 117 18.301 10.189 -0.873 1.00 0.00 H ATOM 945 N PHE A 118 20.898 11.999 0.011 1.00 44.73 N ATOM 946 CA PHE A 118 22.237 12.568 0.113 1.00 45.60 C ATOM 947 C PHE A 118 22.528 13.621 -0.969 1.00 54.88 C ATOM 948 O PHE A 118 23.468 14.398 -0.803 1.00 56.83 O ATOM 949 CB PHE A 118 23.316 11.470 0.193 1.00 46.75 C ATOM 950 CG PHE A 118 23.573 11.083 1.634 1.00 46.47 C ATOM 951 CD1 PHE A 118 22.676 10.273 2.326 1.00 47.60 C ATOM 952 CD2 PHE A 118 24.656 11.609 2.329 1.00 49.39 C ATOM 953 CE1 PHE A 118 22.875 9.974 3.678 1.00 47.35 C ATOM 954 CE2 PHE A 118 24.859 11.299 3.679 1.00 51.08 C ATOM 955 CZ PHE A 118 23.970 10.482 4.343 1.00 47.41 C ATOM 956 H PHE A 118 20.776 11.066 -0.432 1.00 0.00 H ATOM 957 N LYS A 119 21.699 13.710 -2.023 1.00 53.74 N ATOM 958 CA LYS A 119 21.871 14.766 -3.030 1.00 57.68 C ATOM 959 C LYS A 119 21.117 16.006 -2.544 1.00 62.75 C ATOM 960 O LYS A 119 21.600 17.133 -2.702 1.00 64.70 O ATOM 961 CB LYS A 119 21.374 14.330 -4.425 1.00 62.96 C ATOM 962 CG LYS A 119 22.191 13.210 -5.084 1.00 82.40 C ATOM 963 CD LYS A 119 21.669 12.777 -6.452 1.00 96.93 C ATOM 964 CE LYS A 119 22.531 11.695 -7.049 1.00106.83 C ATOM 965 NZ LYS A 119 22.019 11.248 -8.370 1.00119.45 N ATOM 966 HZ1 LYS A 119 21.055 10.874 -8.258 1.00 0.00 H ATOM 967 HZ2 LYS A 119 22.005 12.055 -9.026 1.00 0.00 H ATOM 968 HZ3 LYS A 119 22.640 10.503 -8.747 1.00 0.00 H ATOM 969 H LYS A 119 20.926 13.022 -2.127 1.00 0.00 H ATOM 970 N MET A 120 19.944 15.779 -1.919 1.00 57.26 N ATOM 971 CA MET A 120 19.053 16.794 -1.358 1.00 56.77 C ATOM 972 C MET A 120 19.656 17.444 -0.099 1.00 55.99 C ATOM 973 O MET A 120 19.515 18.652 0.093 1.00 56.43 O ATOM 974 CB MET A 120 17.694 16.142 -1.054 1.00 58.41 C ATOM 975 CG MET A 120 16.674 17.055 -0.409 1.00 62.75 C ATOM 976 SD MET A 120 15.225 16.128 0.145 1.00 66.51 S ATOM 977 CE MET A 120 15.871 15.313 1.568 1.00 59.90 C ATOM 978 H MET A 120 19.644 14.787 -1.827 1.00 0.00 H ATOM 979 N MET A 121 20.296 16.639 0.759 1.00 48.67 N ATOM 980 CA MET A 121 20.918 17.107 2.000 1.00 46.57 C ATOM 981 C MET A 121 22.450 17.110 1.879 1.00 52.14 C ATOM 982 O MET A 121 23.156 16.922 2.874 1.00 50.22 O ATOM 983 CB MET A 121 20.452 16.253 3.191 1.00 45.54 C ATOM 984 CG MET A 121 18.957 16.259 3.380 1.00 47.16 C ATOM 985 SD MET A 121 18.422 15.267 4.780 1.00 47.56 S ATOM 986 CE MET A 121 18.711 13.569 4.149 1.00 43.56 C ATOM 987 H MET A 121 20.355 15.626 0.532 1.00 0.00 H ATOM 988 N SER A 122 22.957 17.358 0.657 1.00 52.66 N ATOM 989 CA SER A 122 24.391 17.402 0.370 1.00 55.49 C ATOM 990 C SER A 122 25.055 18.608 1.023 1.00 61.78 C ATOM 991 O SER A 122 24.379 19.594 1.325 1.00 60.49 O ATOM 992 CB SER A 122 24.644 17.402 -1.136 1.00 61.65 C ATOM 993 OG SER A 122 24.261 18.616 -1.759 1.00 72.10 O ATOM 994 HG SER A 122 23.293 18.769 -1.615 1.00 0.00 H ATOM 995 H SER A 122 22.293 17.528 -0.126 1.00 0.00 H ATOM 996 N LYS A 123 26.383 18.516 1.243 1.00 61.64 N ATOM 997 CA LYS A 123 27.199 19.575 1.842 1.00 63.77 C ATOM 998 C LYS A 123 27.060 20.895 1.081 1.00 69.01 C ATOM 999 O LYS A 123 27.036 21.951 1.709 1.00 68.03 O ATOM 1000 CB LYS A 123 28.666 19.133 1.941 1.00 69.06 C ATOM 1001 CG LYS A 123 29.132 18.893 3.374 1.00 88.88 C ATOM 1002 CD LYS A 123 30.169 19.936 3.802 1.00105.11 C ATOM 1003 CE LYS A 123 30.703 19.715 5.199 1.00118.19 C ATOM 1004 NZ LYS A 123 29.772 20.223 6.243 1.00125.73 N ATOM 1005 HZ1 LYS A 123 29.627 21.244 6.109 1.00 0.00 H ATOM 1006 HZ2 LYS A 123 28.860 19.729 6.163 1.00 0.00 H ATOM 1007 HZ3 LYS A 123 30.180 20.050 7.184 1.00 0.00 H ATOM 1008 H LYS A 123 26.860 17.633 0.969 1.00 0.00 H ATOM 1009 N GLU A 124 26.905 20.819 -0.258 1.00 67.15 N ATOM 1010 CA GLU A 124 26.704 21.949 -1.170 1.00 69.75 C ATOM 1011 C GLU A 124 25.354 22.639 -0.912 1.00 70.48 C ATOM 1012 O GLU A 124 25.297 23.868 -0.834 1.00 70.32 O ATOM 1013 CB GLU A 124 26.802 21.457 -2.626 1.00 73.36 C ATOM 1014 CG GLU A 124 26.717 22.549 -3.676 1.00 89.45 C ATOM 1015 CD GLU A 124 25.563 22.376 -4.644 1.00114.26 C ATOM 1016 OE1 GLU A 124 24.394 22.466 -4.202 1.00106.71 O ATOM 1017 OE2 GLU A 124 25.827 22.155 -5.848 1.00113.21 O ATOM 1018 H GLU A 124 26.931 19.870 -0.682 1.00 0.00 H ATOM 1019 N ARG A 125 24.280 21.839 -0.785 1.00 63.75 N ATOM 1020 CA ARG A 125 22.917 22.307 -0.526 1.00 62.29 C ATOM 1021 C ARG A 125 22.828 22.922 0.876 1.00 62.44 C ATOM 1022 O ARG A 125 22.141 23.930 1.059 1.00 62.53 O ATOM 1023 CB ARG A 125 21.916 21.146 -0.674 1.00 62.13 C ATOM 1024 CG ARG A 125 21.803 20.589 -2.099 1.00 75.44 C ATOM 1025 CD ARG A 125 20.555 21.041 -2.834 1.00 87.12 C ATOM 1026 NE ARG A 125 19.334 20.535 -2.200 1.00 92.29 N ATOM 1027 CZ ARG A 125 18.339 21.306 -1.775 1.00101.05 C ATOM 1028 NH1 ARG A 125 18.393 22.623 -1.932 1.00 86.72 N ATOM 1029 NH2 ARG A 125 17.272 20.763 -1.201 1.00 81.97 N ATOM 1030 HE ARG A 125 19.241 19.507 -2.075 1.00 0.00 H ATOM 1031 HH12 ARG A 125 17.610 23.219 -1.596 1.00 0.00 H ATOM 1032 HH11 ARG A 125 19.219 23.059 -2.391 1.00 0.00 H ATOM 1033 HH22 ARG A 125 16.495 21.369 -0.869 1.00 0.00 H ATOM 1034 HH21 ARG A 125 17.213 19.731 -1.083 1.00 0.00 H ATOM 1035 H ARG A 125 24.429 20.814 -0.877 1.00 0.00 H ATOM 1036 N LEU A 126 23.556 22.337 1.851 1.00 55.61 N ATOM 1037 CA LEU A 126 23.599 22.827 3.226 1.00 54.00 C ATOM 1038 C LEU A 126 24.474 24.073 3.363 1.00 58.79 C ATOM 1039 O LEU A 126 24.145 24.947 4.168 1.00 57.92 O ATOM 1040 CB LEU A 126 24.019 21.731 4.219 1.00 51.81 C ATOM 1041 CG LEU A 126 23.067 20.525 4.361 1.00 54.14 C ATOM 1042 CD1 LEU A 126 23.730 19.397 5.133 1.00 53.19 C ATOM 1043 CD2 LEU A 126 21.740 20.914 5.018 1.00 54.82 C ATOM 1044 H LEU A 126 24.115 21.494 1.610 1.00 0.00 H ATOM 1045 N LEU A 127 25.574 24.171 2.576 1.00 56.60 N ATOM 1046 CA LEU A 127 26.436 25.361 2.580 1.00 59.39 C ATOM 1047 C LEU A 127 25.658 26.554 2.013 1.00 63.04 C ATOM 1048 O LEU A 127 25.764 27.658 2.557 1.00 62.73 O ATOM 1049 CB LEU A 127 27.760 25.134 1.803 1.00 62.43 C ATOM 1050 CG LEU A 127 28.674 26.362 1.590 1.00 71.48 C ATOM 1051 CD1 LEU A 127 29.178 26.946 2.914 1.00 72.19 C ATOM 1052 CD2 LEU A 127 29.831 26.037 0.678 1.00 76.28 C ATOM 1053 H LEU A 127 25.816 23.377 1.949 1.00 0.00 H ATOM 1054 N ALA A 128 24.854 26.326 0.947 1.00 59.94 N ATOM 1055 CA ALA A 128 24.014 27.373 0.347 1.00 62.76 C ATOM 1056 C ALA A 128 22.949 27.847 1.347 1.00 65.05 C ATOM 1057 O ALA A 128 22.639 29.033 1.382 1.00 66.03 O ATOM 1058 CB ALA A 128 23.361 26.867 -0.931 1.00 64.57 C ATOM 1059 H ALA A 128 24.830 25.371 0.536 1.00 0.00 H ATOM 1060 N LEU A 129 22.443 26.927 2.199 1.00 59.30 N ATOM 1061 CA LEU A 129 21.476 27.228 3.255 1.00 57.53 C ATOM 1062 C LEU A 129 22.139 28.080 4.345 1.00 60.49 C ATOM 1063 O LEU A 129 21.563 29.085 4.768 1.00 59.23 O ATOM 1064 CB LEU A 129 20.938 25.933 3.879 1.00 54.93 C ATOM 1065 CG LEU A 129 19.420 25.760 4.009 1.00 59.36 C ATOM 1066 CD1 LEU A 129 19.101 24.514 4.811 1.00 57.67 C ATOM 1067 CD2 LEU A 129 18.737 26.968 4.649 1.00 62.36 C ATOM 1068 H LEU A 129 22.762 25.942 2.097 1.00 0.00 H ATOM 1069 N LYS A 130 23.345 27.668 4.795 1.00 57.33 N ATOM 1070 CA LYS A 130 24.164 28.354 5.799 1.00 58.26 C ATOM 1071 C LYS A 130 24.432 29.788 5.353 1.00 64.60 C ATOM 1072 O LYS A 130 24.208 30.721 6.129 1.00 64.72 O ATOM 1073 CB LYS A 130 25.499 27.604 5.985 1.00 61.17 C ATOM 1074 CG LYS A 130 25.614 26.800 7.266 1.00 73.78 C ATOM 1075 CD LYS A 130 26.989 26.151 7.360 1.00 85.19 C ATOM 1076 CE LYS A 130 27.142 25.274 8.575 1.00 94.87 C ATOM 1077 NZ LYS A 130 28.530 24.761 8.709 1.00105.80 N ATOM 1078 HZ1 LYS A 130 28.774 24.201 7.867 1.00 0.00 H ATOM 1079 HZ2 LYS A 130 29.187 25.562 8.797 1.00 0.00 H ATOM 1080 HZ3 LYS A 130 28.596 24.162 9.556 1.00 0.00 H ATOM 1081 H LYS A 130 23.725 26.787 4.394 1.00 0.00 H ATOM 1082 N ARG A 131 24.852 29.965 4.079 1.00 62.76 N ATOM 1083 CA ARG A 131 25.133 31.279 3.488 1.00 66.10 C ATOM 1084 C ARG A 131 23.894 32.183 3.452 1.00 70.23 C ATOM 1085 O ARG A 131 24.009 33.375 3.735 1.00 70.86 O ATOM 1086 CB ARG A 131 25.753 31.134 2.092 1.00 69.10 C ATOM 1087 CG ARG A 131 27.224 30.745 2.150 1.00 81.95 C ATOM 1088 CD ARG A 131 27.796 30.458 0.782 1.00 96.67 C ATOM 1089 NE ARG A 131 29.227 30.159 0.857 1.00108.02 N ATOM 1090 CZ ARG A 131 29.930 29.590 -0.117 1.00124.84 C ATOM 1091 NH1 ARG A 131 29.339 29.235 -1.252 1.00112.20 N ATOM 1092 NH2 ARG A 131 31.226 29.359 0.039 1.00114.14 N ATOM 1093 HE ARG A 131 29.728 30.409 1.733 1.00 0.00 H ATOM 1094 HH12 ARG A 131 29.894 28.790 -2.010 1.00 0.00 H ATOM 1095 HH11 ARG A 131 28.321 29.402 -1.382 1.00 0.00 H ATOM 1096 HH22 ARG A 131 31.771 28.913 -0.727 1.00 0.00 H ATOM 1097 HH21 ARG A 131 31.698 29.623 0.927 1.00 0.00 H ATOM 1098 H ARG A 131 24.983 29.122 3.484 1.00 0.00 H ATOM 1099 N SER A 132 22.712 31.610 3.148 1.00 65.99 N ATOM 1100 CA SER A 132 21.449 32.360 3.102 1.00 66.48 C ATOM 1101 C SER A 132 20.957 32.781 4.492 1.00 69.64 C ATOM 1102 O SER A 132 20.095 33.648 4.586 1.00 69.62 O ATOM 1103 CB SER A 132 20.370 31.554 2.385 1.00 69.72 C ATOM 1104 OG SER A 132 19.867 30.506 3.198 1.00 77.03 O ATOM 1105 HG SER A 132 20.606 29.892 3.438 1.00 0.00 H ATOM 1106 H SER A 132 22.693 30.592 2.937 1.00 0.00 H ATOM 1107 N MET A 133 21.497 32.172 5.561 1.00 65.75 N ATOM 1108 CA MET A 133 21.126 32.486 6.943 1.00 65.48 C ATOM 1109 C MET A 133 21.851 33.720 7.490 1.00 73.77 C ATOM 1110 O MET A 133 21.546 34.163 8.598 1.00 73.81 O ATOM 1111 CB MET A 133 21.307 31.262 7.855 1.00 65.58 C ATOM 1112 CG MET A 133 20.213 30.231 7.693 1.00 67.24 C ATOM 1113 SD MET A 133 20.640 28.667 8.489 1.00 69.49 S ATOM 1114 CE MET A 133 19.128 27.785 8.292 1.00 64.49 C ATOM 1115 H MET A 133 22.217 31.439 5.399 1.00 0.00 H ATOM 1116 N SER A 134 22.767 34.305 6.696 1.00 73.77 N ATOM 1117 CA SER A 134 23.511 35.506 7.076 1.00102.68 C ATOM 1118 C SER A 134 22.649 36.771 6.965 1.00118.30 C ATOM 1119 O SER A 134 21.603 36.770 6.312 1.00 68.62 O ATOM 1120 CB SER A 134 24.774 35.647 6.233 1.00108.94 C ATOM 1121 OG SER A 134 24.471 35.811 4.857 1.00119.02 O ATOM 1122 HG SER A 134 23.967 35.022 4.535 1.00 0.00 H ATOM 1123 H SER A 134 22.955 33.882 5.765 1.00 0.00 H TER 1124 SER A 134 HETATM 1125 O HOH 1 24.637 -1.972 -4.399 1.00 54.92 O HETATM 1126 O HOH 2 12.600 1.135 13.229 1.00 38.28 O HETATM 1127 O HOH 3 15.036 -3.030 6.463 1.00 32.16 O HETATM 1128 O HOH 4 23.533 -10.326 14.357 1.00 48.29 O HETATM 1129 O HOH 5 16.507 -12.455 -3.574 1.00 42.57 O HETATM 1130 O HOH 6 22.897 -0.864 9.466 1.00 49.45 O HETATM 1131 O HOH 7 15.177 -0.222 6.952 1.00 35.85 O HETATM 1132 O HOH 8 24.104 6.207 10.157 1.00 40.69 O HETATM 1133 O HOH 9 10.319 0.059 7.639 1.00 42.46 O HETATM 1134 O HOH 10 12.896 0.871 7.917 1.00 37.68 O HETATM 1135 O HOH 11 15.380 -0.657 10.090 1.00 33.60 O HETATM 1136 O HOH 12 6.452 12.802 5.706 1.00 55.85 O HETATM 1137 O HOH 13 6.917 12.964 18.896 1.00 55.39 O HETATM 1138 O HOH 14 7.123 2.141 -1.538 1.00 53.40 O HETATM 1139 O HOH 15 24.143 -7.965 13.137 1.00 41.80 O HETATM 1140 O HOH 16 20.662 -11.715 -4.560 1.00 33.49 O HETATM 1141 O HOH 17 18.444 0.741 -6.639 1.00 50.78 O HETATM 1142 O HOH 18 7.437 20.380 14.206 1.00 60.42 O HETATM 1143 O HOH 19 24.240 3.505 9.187 1.00 43.74 O HETATM 1144 O HOH 20 7.903 -9.166 1.764 1.00 57.42 O HETATM 1145 O HOH 21 25.422 16.896 15.463 1.00 53.03 O HETATM 1146 O HOH 22 7.008 6.306 3.645 1.00 57.38 O HETATM 1147 O HOH 23 24.307 -8.288 4.806 1.00 47.93 O HETATM 1148 O HOH 24 18.056 2.586 16.305 1.00 55.42 O HETATM 1149 O HOH 25 25.299 12.257 9.133 1.00 43.78 O HETATM 1150 O HOH 26 14.287 -9.752 1.361 1.00 35.78 O HETATM 1151 O HOH 27 20.777 -3.991 -6.594 1.00 38.67 O HETATM 1152 O HOH 28 21.277 -1.798 12.626 1.00 37.41 O HETATM 1153 O HOH 29 17.732 -11.794 3.156 1.00 48.93 O HETATM 1154 O HOH 30 8.068 22.147 6.701 1.00 66.73 O HETATM 1155 O HOH 31 10.755 10.276 19.596 1.00 57.74 O HETATM 1156 O HOH 32 28.808 3.440 4.945 1.00 50.51 O HETATM 1157 O HOH 33 11.945 -6.792 14.298 1.00 48.82 O HETATM 1158 O HOH 34 14.587 18.512 16.176 1.00 65.25 O HETATM 1159 O HOH 35 25.874 -5.332 -2.101 1.00 33.58 O HETATM 1160 O HOH 36 17.841 -14.678 -6.097 1.00 51.42 O HETATM 1161 O HOH 37 26.902 14.322 3.253 1.00 50.98 O HETATM 1162 O HOH 38 27.700 5.890 8.321 1.00 45.12 O HETATM 1163 O HOH 39 18.255 18.960 -4.261 1.00 71.94 O HETATM 1164 O HOH 40 16.176 -3.473 -11.075 1.00 51.43 O HETATM 1165 O HOH 41 16.140 -8.360 -9.505 1.00 54.93 O HETATM 1166 O HOH 42 23.713 -15.181 2.480 1.00 51.51 O HETATM 1167 O HOH 43 6.963 18.764 0.790 1.00 88.68 O HETATM 1168 O HOH 44 17.994 -9.934 18.914 1.00 34.93 O HETATM 1169 O HOH 45 5.469 7.182 8.472 1.00 62.42 O HETATM 1170 O HOH 46 7.236 -9.924 15.117 1.00 56.85 O HETATM 1171 O HOH 47 17.517 -6.622 17.929 1.00 53.68 O HETATM 1172 O HOH 48 11.070 8.326 17.716 1.00 56.43 O HETATM 1173 O HOH 49 19.702 -11.388 6.048 1.00 58.89 O HETATM 1174 O HOH 50 12.310 -10.391 3.147 1.00 43.34 O HETATM 1175 O HOH 51 22.754 -4.260 13.076 1.00 41.69 O HETATM 1176 O HOH 52 24.297 19.542 10.678 1.00 55.24 O HETATM 1177 O HOH 53 12.686 -0.974 11.530 1.00 38.55 O HETATM 1178 O HOH 54 6.539 -9.131 4.345 1.00 53.02 O HETATM 1179 O HOH 55 16.628 -11.004 0.810 1.00 31.84 O HETATM 1180 O HOH 56 4.528 26.672 14.378 1.00 87.82 O HETATM 1181 O HOH 57 11.813 -8.423 -3.319 1.00 51.57 O HETATM 1182 O HOH 58 20.241 10.443 16.863 1.00 65.17 O HETATM 1183 O HOH 59 19.629 -13.677 2.730 1.00 54.96 O HETATM 1184 O HOH 60 27.294 1.434 7.113 1.00 58.20 O HETATM 1185 O HOH 61 22.132 -12.743 2.483 1.00 43.95 O HETATM 1186 O HOH 62 6.497 -13.422 6.767 1.00 75.50 O HETATM 1187 O HOH 63 15.961 26.073 14.960 1.00 80.14 O HETATM 1188 O HOH 64 26.597 14.152 7.202 1.00 63.00 O HETATM 1189 O HOH 65 9.244 -8.223 16.391 1.00 63.83 O HETATM 1190 O HOH 66 15.173 -12.086 -8.262 1.00 72.12 O HETATM 1191 O HOH 67 17.902 -1.086 19.921 1.00 67.34 O HETATM 1192 O HOH 68 17.579 -15.280 -2.190 1.00 65.62 O HETATM 1193 O HOH 69 22.002 3.604 16.759 1.00 71.24 O HETATM 1194 O HOH 70 3.703 8.999 -3.338 1.00 69.86 O HETATM 1195 O HOH 71 27.190 -1.663 16.672 1.00 69.60 O HETATM 1196 O HOH 72 2.955 8.081 16.377 1.00 78.09 O HETATM 1197 O HOH 73 13.695 0.804 -6.597 1.00 58.84 O HETATM 1198 O HOH 74 19.331 -6.870 20.402 1.00 58.41 O HETATM 1199 O HOH 75 23.681 6.010 12.841 1.00 56.05 O HETATM 1200 O HOH 76 23.942 -3.991 -6.045 1.00 48.53 O HETATM 1201 O HOH 77 27.582 16.047 -1.335 1.00 46.30 O HETATM 1202 O HOH 78 7.123 -6.383 -2.412 1.00 70.64 O HETATM 1203 O HOH 79 25.337 9.970 7.645 1.00 43.50 O HETATM 1204 O HOH 80 8.906 11.208 -6.212 1.00 65.63 O HETATM 1205 O HOH 81 27.930 -0.396 -6.119 1.00 54.52 O HETATM 1206 O HOH 82 24.780 0.988 10.083 1.00 52.24 O HETATM 1207 O HOH 83 12.054 1.025 15.907 1.00 49.36 O HETATM 1208 O HOH 84 10.181 -10.654 1.462 1.00 55.56 O HETATM 1209 O HOH 85 2.669 4.586 10.609 1.00 67.66 O HETATM 1210 O HOH 86 23.894 -4.183 10.587 1.00 69.94 O HETATM 1211 O HOH 87 17.347 -17.800 -0.873 1.00 52.14 O HETATM 1212 O HOH 88 25.198 -3.666 14.158 1.00 63.80 O HETATM 1213 O HOH 89 26.049 7.966 9.370 1.00 44.99 O HETATM 1214 O HOH 90 17.875 -13.173 7.249 1.00 58.83 O HETATM 1215 O HOH 91 20.262 -15.660 4.528 1.00 63.27 O HETATM 1216 O HOH 92 26.446 -0.415 -8.556 1.00 60.20 O HETATM 1217 O HOH 93 31.637 25.403 -2.550 1.00 58.01 O HETATM 1218 O HOH 94 15.870 -15.306 -4.308 1.00 55.52 O HETATM 1219 O HOH 95 20.342 -1.307 -6.657 1.00 54.09 O HETATM 1220 O HOH 96 12.344 -9.923 -0.829 1.00 49.23 O HETATM 1221 O HOH 97 24.382 -0.269 12.524 1.00 65.56 O HETATM 1222 O HOH 98 16.130 -12.967 -0.984 1.00 43.27 O HETATM 1223 O HOH 99 6.219 11.939 -6.776 1.00 63.17 O HETATM 1224 O HOH 100 1.904 4.329 6.232 1.00 63.71 O HETATM 1225 O HOH 101 30.013 13.773 5.549 1.00 62.08 O HETATM 1226 O HOH 102 13.994 -14.733 2.017 1.00 64.87 O HETATM 1227 O HOH 103 29.954 38.928 0.112 1.00 69.33 O HETATM 1228 N3 UNN A 104 11.353 -7.899 4.274 1.00 -0.31 N HETATM 1229 C4 UNN A 104 12.058 -6.781 4.387 1.00 0.02 C HETATM 1230 C6 UNN A 104 11.421 -5.544 4.568 1.00 0.08 C HETATM 1231 C5 UNN A 104 9.995 -5.511 4.610 1.00 -0.01 C HETATM 1232 C10 UNN A 104 9.323 -4.201 4.778 1.00 0.00 C HETATM 1233 C18 UNN A 104 7.837 -4.089 4.886 1.00 -0.02 C HETATM 1234 C17 UNN A 104 7.250 -3.470 6.015 1.00 0.07 C HETATM 1235 C13 UNN A 104 5.861 -3.407 6.120 1.00 -0.04 C HETATM 1236 C21 UNN A 104 5.047 -3.906 5.115 1.00 0.02 C HETATM 1237 C20 UNN A 104 5.609 -4.537 4.000 1.00 0.08 C HETATM 1238 C19 UNN A 104 7.003 -4.604 3.880 1.00 -0.05 C HETATM 1239 H18 UNN A 104 7.443 -5.059 3.000 1.00 0.04 H HETATM 1240 O22 UNN A 104 4.789 -5.014 3.007 1.00 -0.33 O HETATM 1241 C23 UNN A 104 5.110 -6.244 2.346 1.00 0.06 C HETATM 1242 H22 UNN A 104 4.345 -6.463 1.587 1.00 0.06 H HETATM 1243 H23 UNN A 104 5.139 -7.060 3.083 1.00 0.06 H HETATM 1244 H24 UNN A 104 6.093 -6.154 1.860 1.00 0.06 H HETATM 1245 C14 UNN A 104 3.548 -3.776 5.270 1.00 -0.01 C HETATM 1246 N15 UNN A 104 3.009 -2.827 4.281 1.00 0.24 N HETATM 1247 C24 UNN A 104 3.514 -1.462 4.488 1.00 -0.04 C HETATM 1248 H3 UNN A 104 3.084 -0.793 3.728 1.00 0.08 H HETATM 1249 H4 UNN A 104 4.611 -1.460 4.401 1.00 0.08 H HETATM 1250 H5 UNN A 104 3.225 -1.112 5.490 1.00 0.08 H HETATM 1251 C16 UNN A 104 1.537 -2.838 4.307 1.00 -0.04 C HETATM 1252 H11 UNN A 104 1.175 -3.865 4.151 1.00 0.08 H HETATM 1253 H12 UNN A 104 1.151 -2.188 3.508 1.00 0.08 H HETATM 1254 H13 UNN A 104 1.185 -2.469 5.282 1.00 0.08 H HETATM 1255 H21 UNN A 104 3.309 -3.131 3.368 1.00 0.20 H HETATM 1256 H19 UNN A 104 3.319 -3.413 6.283 1.00 0.09 H HETATM 1257 H20 UNN A 104 3.081 -4.761 5.119 1.00 0.09 H HETATM 1258 H2 UNN A 104 5.411 -2.962 7.000 1.00 0.04 H HETATM 1259 O25 UNN A 104 8.023 -2.957 7.019 1.00 -0.33 O HETATM 1260 C26 UNN A 104 7.566 -1.819 7.753 1.00 0.06 C HETATM 1261 H6 UNN A 104 8.313 -1.550 8.514 1.00 0.06 H HETATM 1262 H7 UNN A 104 6.612 -2.059 8.244 1.00 0.06 H HETATM 1263 H8 UNN A 104 7.422 -0.973 7.065 1.00 0.06 H HETATM 1264 C9 UNN A 104 10.098 -3.076 4.852 1.00 0.07 C HETATM 1265 N8 UNN A 104 11.467 -3.108 4.807 1.00 -0.21 N HETATM 1266 C7 UNN A 104 12.162 -4.275 4.698 1.00 0.24 C HETATM 1267 O11 UNN A 104 13.385 -4.282 4.688 1.00 -0.39 O HETATM 1268 C12 UNN A 104 12.182 -1.835 4.946 1.00 0.06 C HETATM 1269 H15 UNN A 104 13.266 -2.015 4.891 1.00 0.06 H HETATM 1270 H16 UNN A 104 11.935 -1.380 5.916 1.00 0.06 H HETATM 1271 H17 UNN A 104 11.882 -1.155 4.135 1.00 0.06 H HETATM 1272 H14 UNN A 104 9.604 -2.111 4.951 1.00 0.12 H HETATM 1273 C1 UNN A 104 9.310 -6.732 4.485 1.00 -0.04 C HETATM 1274 C2 UNN A 104 10.022 -7.899 4.326 1.00 0.00 C HETATM 1275 H10 UNN A 104 9.488 -8.839 4.241 1.00 0.08 H HETATM 1276 H9 UNN A 104 8.227 -6.754 4.514 1.00 0.06 H HETATM 1277 H1 UNN A 104 13.140 -6.824 4.339 1.00 0.08 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1228 1229 1274 CONECT 1229 1228 1230 1277 CONECT 1230 1229 1231 1266 CONECT 1231 1230 1232 1273 CONECT 1232 1231 1233 1264 CONECT 1233 1232 1234 1238 CONECT 1234 1233 1235 1259 CONECT 1235 1234 1236 1258 CONECT 1236 1235 1237 1245 CONECT 1237 1236 1238 1240 CONECT 1238 1233 1237 1239 CONECT 1239 1238 CONECT 1240 1237 1241 CONECT 1241 1240 1242 1243 1244 CONECT 1242 1241 CONECT 1243 1241 CONECT 1244 1241 CONECT 1245 1236 1246 1256 1257 CONECT 1246 1245 1247 1251 1255 CONECT 1247 1246 1248 1249 1250 CONECT 1248 1247 CONECT 1249 1247 CONECT 1250 1247 CONECT 1251 1246 1252 1253 1254 CONECT 1252 1251 CONECT 1253 1251 CONECT 1254 1251 CONECT 1255 1246 CONECT 1256 1245 CONECT 1257 1245 CONECT 1258 1235 CONECT 1259 1234 1260 CONECT 1260 1259 1261 1262 1263 CONECT 1261 1260 CONECT 1262 1260 CONECT 1263 1260 CONECT 1264 1232 1265 1272 CONECT 1265 1264 1266 1268 CONECT 1266 1230 1265 1267 CONECT 1267 1266 CONECT 1268 1265 1269 1270 1271 CONECT 1269 1268 CONECT 1270 1268 CONECT 1271 1268 CONECT 1272 1264 CONECT 1273 1231 1274 1276 CONECT 1274 1228 1273 1275 CONECT 1275 1274 CONECT 1276 1273 CONECT 1277 1229 MASTER 0 0 0 0 0 0 0 0 1276 1 54 9 END
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Related entries of code: 5f1h
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
106aa, >4UIT_1|Chain... at 99%
4uiu
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PDBbind
106aa, >4UIU_1|Chain... at 99%
4uiv
RCSB PDB
PDBbind
106aa, >4UIV_1|Chain... at 99%
4uiw
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PDBbind
106aa, >4UIW_1|Chain... at 99%
4xy8
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PDBbind
123aa, >4XY8_1|Chain... *
4z6h
RCSB PDB
PDBbind
123aa, >4Z6H_1|Chains... at 100%
4z6i
RCSB PDB
PDBbind
123aa, >4Z6I_1|Chains... at 100%
5eu1
RCSB PDB
PDBbind
123aa, >5EU1_1|Chains... at 100%
5f1l
RCSB PDB
PDBbind
123aa, >5F1L_1|Chains... at 100%
5f25
RCSB PDB
PDBbind
123aa, >5F25_1|Chains... at 100%
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RCSB PDB
PDBbind
123aa, >5F2P_1|Chains... at 100%
5i40
RCSB PDB
PDBbind
102aa, >5I40_1|Chain... at 100%
5i7x
RCSB PDB
PDBbind
101aa, >5I7X_1|Chain... at 100%
5i7y
RCSB PDB
PDBbind
101aa, >5I7Y_1|Chain... at 100%
5igm
RCSB PDB
PDBbind
123aa, >5IGM_1|Chains... at 100%
5ji8
RCSB PDB
PDBbind
111aa, >5JI8_1|Chain... at 92%
5mky
RCSB PDB
PDBbind
106aa, >5MKY_1|Chain... at 99%
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5f1h
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human BRD9
Ligand Name
5U6
EC.Number
E.C.-.-.-.-
Resolution
1.82(Å)
Affinity (Kd/Ki/IC50)
Kd=14.1nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 4462-4475
Ligand Properties
Formula
C
2
0
H
2
4
N
3
O
3
Molecular Weight
354.423
Exact Mass
354.182
No. of atoms
50
No. of bonds
52
Polar Surface Area
57.79
LOGP Value
1.40 (
Computed with XLOGP3
)
1.26 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
COc1cc(C[NH+](C)C)c(cc1c1cn(C)c(=O)c2c1ccnc2)OC
InChI String
InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3/p+1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9H8M2
Entrez Gene ID
NCBI Entrez Gene ID:
65980
ASD
Information of known allosteric effects of PDB entries
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