Browse entries in the PDBbind-CN Database
HEADER 6DIK_COMPLEX COMPND 6DIK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 121 SER LEU PHE GLU LEU GLY LYS MET ILE LEU GLN GLU THR SEQRES 2 A 121 GLY LYS ASN PRO ALA LYS SER TYR GLY ALA TYR GLY CYS SEQRES 3 A 121 ASN CYS GLY VAL LEU GLY ARG GLY LYS PRO LYS ASP ALA SEQRES 4 A 121 THR ASP ARG CYS CYS TYR VAL HIS LYS CYS CYS TYR LYS SEQRES 5 A 121 LYS LEU THR GLY CYS ASN PRO LYS LYS ASP ARG TYR SER SEQRES 6 A 121 TYR SER TRP LYS ASP LYS THR ILE VAL CYS GLY GLU ASN SEQRES 7 A 121 ASN PRO CYS LEU LYS GLU LEU CYS GLU CYS ASP LYS ALA SEQRES 8 A 121 VAL ALA ILE CYS LEU ARG GLU ASN LEU GLY THR TYR ASN SEQRES 9 A 121 LYS LYS TYR ARG TYR HIS LEU LYS PRO PHE CYS LYS LYS SEQRES 10 A 121 ALA ASP PRO CYS SEQRES 1 B 121 SER LEU PHE GLU LEU GLY LYS MET ILE LEU GLN GLU THR SEQRES 2 B 121 GLY LYS ASN PRO ALA LYS SER TYR GLY ALA TYR GLY CYS SEQRES 3 B 121 ASN CYS GLY VAL LEU GLY ARG GLY LYS PRO LYS ASP ALA SEQRES 4 B 121 THR ASP ARG CYS CYS TYR VAL HIS LYS CYS CYS TYR LYS SEQRES 5 B 121 LYS LEU THR GLY CYS ASN PRO LYS LYS ASP ARG TYR SER SEQRES 6 B 121 TYR SER TRP LYS ASP LYS THR ILE VAL CYS GLY GLU ASN SEQRES 7 B 121 ASN PRO CYS LEU LYS GLU LEU CYS GLU CYS ASP LYS ALA SEQRES 8 B 121 VAL ALA ILE CYS LEU ARG GLU ASN LEU GLY THR TYR ASN SEQRES 9 B 121 LYS LYS TYR ARG TYR HIS LEU LYS PRO PHE CYS LYS LYS SEQRES 10 B 121 ALA ASP PRO CYS HET GKP A 451 50 SSBOND 1 CYS A 29 CYS A 45 SSBOND 2 CYS A 61 CYS A 91 SSBOND 3 CYS A 84 CYS A 96 SSBOND 4 CYS A 51 CYS A 98 SSBOND 5 CYS A 44 CYS A 105 SSBOND 6 CYS A 27 CYS A 126 SSBOND 7 CYS A 50 CYS A 133 SSBOND 8 CYS B 29 CYS B 45 SSBOND 9 CYS B 61 CYS B 91 SSBOND 10 CYS B 84 CYS B 96 SSBOND 11 CYS B 51 CYS B 98 SSBOND 12 CYS B 44 CYS B 105 SSBOND 13 CYS B 27 CYS B 126 SSBOND 14 CYS B 50 CYS B 133 ATOM 1 N SER A 1 12.808 -8.763 9.457 1.00 27.87 N ATOM 2 CA SER A 1 12.617 -7.948 8.261 1.00 32.44 C ATOM 3 C SER A 1 11.143 -7.652 8.070 1.00 30.78 C ATOM 4 O SER A 1 10.287 -8.262 8.719 1.00 24.49 O ATOM 5 CB SER A 1 13.175 -8.647 7.020 1.00 34.94 C ATOM 6 OG SER A 1 12.240 -9.574 6.487 1.00 32.54 O ATOM 7 HG SER A 1 12.032 -10.260 7.169 1.00 0.00 H ATOM 8 HN3 SER A 1 12.288 -9.658 9.352 1.00 0.00 H ATOM 9 HN2 SER A 1 12.450 -8.248 10.287 1.00 0.00 H ATOM 10 HN1 SER A 1 13.821 -8.962 9.581 1.00 0.00 H ATOM 11 N LEU A 2 10.844 -6.720 7.164 1.00 30.16 N ATOM 12 CA LEU A 2 9.453 -6.389 6.875 1.00 30.49 C ATOM 13 C LEU A 2 8.650 -7.601 6.415 1.00 25.84 C ATOM 14 O LEU A 2 7.428 -7.616 6.591 1.00 27.69 O ATOM 15 CB LEU A 2 9.396 -5.278 5.823 1.00 31.17 C ATOM 16 CG LEU A 2 10.113 -4.012 6.292 1.00 39.09 C ATOM 17 CD1 LEU A 2 10.152 -2.962 5.201 1.00 42.08 C ATOM 18 CD2 LEU A 2 9.450 -3.458 7.540 1.00 43.90 C ATOM 19 H LEU A 2 11.608 -6.226 6.660 1.00 0.00 H ATOM 20 N PHE A 3 9.304 -8.620 5.839 1.00 23.06 N ATOM 21 CA PHE A 3 8.600 -9.860 5.514 1.00 23.93 C ATOM 22 C PHE A 3 7.993 -10.491 6.765 1.00 26.77 C ATOM 23 O PHE A 3 6.787 -10.773 6.810 1.00 26.12 O ATOM 24 CB PHE A 3 9.547 -10.845 4.822 1.00 28.35 C ATOM 25 CG PHE A 3 8.916 -12.181 4.507 1.00 40.82 C ATOM 26 CD1 PHE A 3 8.215 -12.372 3.325 1.00 45.31 C ATOM 27 CD2 PHE A 3 9.026 -13.247 5.393 1.00 48.85 C ATOM 28 CE1 PHE A 3 7.635 -13.599 3.035 1.00 54.67 C ATOM 29 CE2 PHE A 3 8.447 -14.473 5.110 1.00 55.19 C ATOM 30 CZ PHE A 3 7.753 -14.649 3.928 1.00 57.00 C ATOM 31 H PHE A 3 10.317 -8.528 5.622 1.00 0.00 H ATOM 32 N GLU A 4 8.820 -10.724 7.793 1.00 26.34 N ATOM 33 CA GLU A 4 8.323 -11.312 9.038 1.00 27.85 C ATOM 34 C GLU A 4 7.297 -10.410 9.713 1.00 25.89 C ATOM 35 O GLU A 4 6.286 -10.892 10.239 1.00 21.92 O ATOM 36 CB GLU A 4 9.479 -11.593 10.001 1.00 21.13 C ATOM 37 CG GLU A 4 10.365 -12.756 9.603 1.00 23.60 C ATOM 38 CD GLU A 4 11.349 -12.393 8.507 1.00 32.06 C ATOM 39 OE1 GLU A 4 11.680 -11.199 8.366 1.00 35.32 O ATOM 40 OE2 GLU A 4 11.789 -13.302 7.785 1.00 39.57 O ATOM 41 H GLU A 4 9.828 -10.484 7.705 1.00 0.00 H ATOM 42 N LEU A 5 7.551 -9.098 9.728 1.00 24.67 N ATOM 43 CA LEU A 5 6.596 -8.169 10.323 1.00 24.74 C ATOM 44 C LEU A 5 5.239 -8.266 9.636 1.00 24.57 C ATOM 45 O LEU A 5 4.200 -8.332 10.304 1.00 22.41 O ATOM 46 CB LEU A 5 7.137 -6.738 10.259 1.00 23.86 C ATOM 47 CG LEU A 5 6.161 -5.616 10.636 1.00 26.75 C ATOM 48 CD1 LEU A 5 5.619 -5.859 12.023 1.00 24.64 C ATOM 49 CD2 LEU A 5 6.822 -4.245 10.552 1.00 27.44 C ATOM 50 H LEU A 5 8.434 -8.737 9.313 1.00 0.00 H ATOM 51 N GLY A 6 5.232 -8.301 8.303 1.00 23.60 N ATOM 52 CA GLY A 6 3.974 -8.418 7.583 1.00 25.33 C ATOM 53 C GLY A 6 3.234 -9.705 7.895 1.00 23.23 C ATOM 54 O GLY A 6 2.013 -9.700 8.067 1.00 21.25 O ATOM 55 H GLY A 6 6.128 -8.245 7.777 1.00 0.00 H ATOM 56 N LYS A 7 3.964 -10.824 7.981 1.00 22.52 N ATOM 57 CA LYS A 7 3.326 -12.102 8.271 1.00 21.40 C ATOM 58 C LYS A 7 2.709 -12.111 9.665 1.00 20.15 C ATOM 59 O LYS A 7 1.600 -12.624 9.850 1.00 22.35 O ATOM 60 CB LYS A 7 4.335 -13.243 8.118 1.00 21.73 C ATOM 61 CG LYS A 7 3.713 -14.635 8.212 1.00 24.41 C ATOM 62 CD LYS A 7 4.675 -15.715 7.731 1.00 36.52 C ATOM 63 CE LYS A 7 4.931 -16.751 8.807 1.00 44.35 C ATOM 64 NZ LYS A 7 5.761 -17.889 8.319 1.00 45.70 N ATOM 65 HZ1 LYS A 7 5.273 -18.360 7.531 1.00 0.00 H ATOM 66 HZ2 LYS A 7 6.682 -17.531 7.994 1.00 0.00 H ATOM 67 HZ3 LYS A 7 5.906 -18.568 9.093 1.00 0.00 H ATOM 68 H LYS A 7 4.993 -10.781 7.840 1.00 0.00 H ATOM 69 N MET A 8 3.408 -11.543 10.658 1.00 19.92 N ATOM 70 CA MET A 8 2.847 -11.450 12.003 1.00 20.25 C ATOM 71 C MET A 8 1.563 -10.634 12.005 1.00 18.87 C ATOM 72 O MET A 8 0.571 -11.016 12.636 1.00 19.27 O ATOM 73 CB MET A 8 3.857 -10.824 12.966 1.00 21.56 C ATOM 74 CG MET A 8 5.041 -11.695 13.304 1.00 21.23 C ATOM 75 SD MET A 8 6.076 -10.861 14.521 1.00 23.67 S ATOM 76 CE MET A 8 7.435 -12.030 14.641 1.00 22.35 C ATOM 77 H MET A 8 4.358 -11.165 10.469 1.00 0.00 H ATOM 78 N ILE A 9 1.574 -9.483 11.332 1.00 17.18 N ATOM 79 CA ILE A 9 0.383 -8.635 11.302 1.00 21.39 C ATOM 80 C ILE A 9 -0.780 -9.382 10.660 1.00 25.85 C ATOM 81 O ILE A 9 -1.921 -9.321 11.134 1.00 24.21 O ATOM 82 CB ILE A 9 0.684 -7.315 10.568 1.00 19.80 C ATOM 83 CG1 ILE A 9 1.641 -6.448 11.393 1.00 23.66 C ATOM 84 CG2 ILE A 9 -0.609 -6.556 10.244 1.00 19.92 C ATOM 85 CD1 ILE A 9 2.134 -5.214 10.649 1.00 24.92 C ATOM 86 H ILE A 9 2.433 -9.187 10.826 1.00 0.00 H ATOM 87 N LEU A 10 -0.506 -10.111 9.579 1.00 22.41 N ATOM 88 CA LEU A 10 -1.559 -10.901 8.952 1.00 21.60 C ATOM 89 C LEU A 10 -2.061 -11.992 9.892 1.00 21.86 C ATOM 90 O LEU A 10 -3.273 -12.217 10.002 1.00 27.02 O ATOM 91 CB LEU A 10 -1.048 -11.497 7.639 1.00 25.79 C ATOM 92 CG LEU A 10 -2.037 -12.296 6.788 1.00 33.94 C ATOM 93 CD1 LEU A 10 -3.225 -11.440 6.359 1.00 35.18 C ATOM 94 CD2 LEU A 10 -1.320 -12.865 5.576 1.00 37.66 C ATOM 95 H LEU A 10 0.456 -10.117 9.184 1.00 0.00 H ATOM 96 N GLN A 11 -1.147 -12.667 10.598 1.00 21.25 N ATOM 97 CA GLN A 11 -1.561 -13.749 11.489 1.00 22.37 C ATOM 98 C GLN A 11 -2.396 -13.229 12.652 1.00 24.78 C ATOM 99 O GLN A 11 -3.372 -13.874 13.056 1.00 26.00 O ATOM 100 CB GLN A 11 -0.340 -14.498 12.013 1.00 25.58 C ATOM 101 CG GLN A 11 0.326 -15.409 10.994 1.00 29.53 C ATOM 102 CD GLN A 11 1.698 -15.858 11.456 1.00 32.59 C ATOM 103 OE1 GLN A 11 2.417 -15.103 12.116 1.00 36.78 O ATOM 104 NE2 GLN A 11 2.066 -17.081 11.117 1.00 33.00 N ATOM 105 HE22 GLN A 11 1.425 -17.681 10.559 1.00 0.00 H ATOM 106 HE21 GLN A 11 2.996 -17.443 11.408 1.00 0.00 H ATOM 107 H GLN A 11 -0.140 -12.421 10.513 1.00 0.00 H ATOM 108 N GLU A 12 -2.023 -12.076 13.209 1.00 22.70 N ATOM 109 CA GLU A 12 -2.744 -11.518 14.352 1.00 23.52 C ATOM 110 C GLU A 12 -4.040 -10.834 13.928 1.00 25.23 C ATOM 111 O GLU A 12 -5.104 -11.109 14.492 1.00 25.78 O ATOM 112 CB GLU A 12 -1.853 -10.525 15.109 1.00 24.98 C ATOM 113 CG GLU A 12 -0.733 -11.168 15.927 1.00 28.01 C ATOM 114 CD GLU A 12 -1.232 -11.824 17.206 1.00 34.30 C ATOM 115 OE1 GLU A 12 -2.203 -11.311 17.802 1.00 29.73 O ATOM 116 OE2 GLU A 12 -0.647 -12.852 17.621 1.00 32.54 O ATOM 117 H GLU A 12 -1.204 -11.564 12.823 1.00 0.00 H ATOM 118 N THR A 13 -3.971 -9.927 12.949 1.00 22.25 N ATOM 119 CA THR A 13 -5.126 -9.101 12.607 1.00 23.20 C ATOM 120 C THR A 13 -5.994 -9.683 11.502 1.00 26.66 C ATOM 121 O THR A 13 -7.164 -9.294 11.387 1.00 26.97 O ATOM 122 CB THR A 13 -4.688 -7.696 12.171 1.00 27.01 C ATOM 123 OG1 THR A 13 -4.152 -7.744 10.838 1.00 24.08 O ATOM 124 CG2 THR A 13 -3.636 -7.146 13.120 1.00 25.66 C ATOM 125 HG1 THR A 13 -3.370 -8.351 10.820 1.00 0.00 H ATOM 126 H THR A 13 -3.082 -9.808 12.423 1.00 0.00 H ATOM 127 N GLY A 15 -5.465 -10.603 10.695 1.00 22.96 N ATOM 128 CA GLY A 15 -6.172 -11.050 9.512 1.00 23.14 C ATOM 129 C GLY A 15 -6.255 -10.030 8.395 1.00 25.28 C ATOM 130 O GLY A 15 -6.889 -10.305 7.369 1.00 26.25 O ATOM 131 H GLY A 15 -4.532 -11.005 10.918 1.00 0.00 H ATOM 132 N LYS A 16 -5.626 -8.871 8.547 1.00 21.25 N ATOM 133 CA LYS A 16 -5.718 -7.794 7.571 1.00 23.98 C ATOM 134 C LYS A 16 -4.498 -7.771 6.658 1.00 24.82 C ATOM 135 O LYS A 16 -3.380 -8.083 7.078 1.00 26.14 O ATOM 136 CB LYS A 16 -5.842 -6.441 8.274 1.00 28.29 C ATOM 137 CG LYS A 16 -7.009 -6.334 9.245 1.00 33.30 C ATOM 138 CD LYS A 16 -8.311 -6.025 8.525 1.00 39.97 C ATOM 139 CE LYS A 16 -9.437 -5.810 9.527 1.00 41.52 C ATOM 140 NZ LYS A 16 -10.738 -5.541 8.860 1.00 48.97 N ATOM 141 HZ1 LYS A 16 -10.656 -4.684 8.276 1.00 0.00 H ATOM 142 HZ2 LYS A 16 -10.991 -6.350 8.257 1.00 0.00 H ATOM 143 HZ3 LYS A 16 -11.474 -5.401 9.582 1.00 0.00 H ATOM 144 H LYS A 16 -5.044 -8.726 9.397 1.00 0.00 H ATOM 145 N ASN A 17 -4.726 -7.392 5.403 1.00 19.84 N ATOM 146 CA ASN A 17 -3.633 -7.079 4.492 1.00 24.53 C ATOM 147 C ASN A 17 -2.766 -5.998 5.129 1.00 23.12 C ATOM 148 O ASN A 17 -3.251 -4.877 5.349 1.00 19.49 O ATOM 149 CB ASN A 17 -4.179 -6.613 3.142 1.00 27.41 C ATOM 150 CG ASN A 17 -3.083 -6.341 2.124 1.00 31.29 C ATOM 151 OD1 ASN A 17 -2.177 -5.546 2.361 1.00 24.90 O ATOM 152 ND2 ASN A 17 -3.166 -7.008 0.979 1.00 30.77 N ATOM 153 HD22 ASN A 17 -3.950 -7.672 0.820 1.00 0.00 H ATOM 154 HD21 ASN A 17 -2.447 -6.866 0.241 1.00 0.00 H ATOM 155 H ASN A 17 -5.707 -7.318 5.065 1.00 0.00 H ATOM 156 N PRO A 18 -1.506 -6.284 5.454 1.00 24.08 N ATOM 157 CA PRO A 18 -0.721 -5.306 6.227 1.00 26.64 C ATOM 158 C PRO A 18 -0.474 -4.001 5.491 1.00 23.77 C ATOM 159 O PRO A 18 -0.532 -2.929 6.107 1.00 22.04 O ATOM 160 CB PRO A 18 0.590 -6.053 6.514 1.00 27.79 C ATOM 161 CG PRO A 18 0.278 -7.502 6.284 1.00 32.28 C ATOM 162 CD PRO A 18 -0.772 -7.540 5.225 1.00 24.10 C ATOM 163 N ALA A 19 -0.201 -4.049 4.188 1.00 20.79 N ATOM 164 CA ALA A 19 0.061 -2.807 3.471 1.00 23.41 C ATOM 165 C ALA A 19 -1.202 -1.965 3.373 1.00 25.66 C ATOM 166 O ALA A 19 -1.152 -0.739 3.520 1.00 23.34 O ATOM 167 CB ALA A 19 0.628 -3.100 2.080 1.00 25.63 C ATOM 168 H ALA A 19 -0.175 -4.961 3.689 1.00 0.00 H ATOM 169 N LYS A 20 -2.321 -2.617 3.128 1.00 22.50 N ATOM 170 CA LYS A 20 -3.577 -1.924 2.996 1.00 22.35 C ATOM 171 C LYS A 20 -3.980 -1.154 4.247 1.00 23.76 C ATOM 172 O LYS A 20 -4.329 0.008 4.172 1.00 25.47 O ATOM 173 CB LYS A 20 -4.679 -2.909 2.613 1.00 20.54 C ATOM 174 CG LYS A 20 -6.008 -2.271 2.278 1.00 32.96 C ATOM 175 CD LYS A 20 -6.941 -3.264 1.608 1.00 40.20 C ATOM 176 CE LYS A 20 -8.386 -2.827 1.732 1.00 48.24 C ATOM 177 NZ LYS A 20 -9.313 -3.947 2.042 1.00 47.92 N ATOM 178 HZ1 LYS A 20 -9.263 -4.657 1.283 1.00 0.00 H ATOM 179 HZ2 LYS A 20 -9.038 -4.383 2.945 1.00 0.00 H ATOM 180 HZ3 LYS A 20 -10.284 -3.582 2.114 1.00 0.00 H ATOM 181 H LYS A 20 -2.297 -3.652 3.028 1.00 0.00 H ATOM 182 N SER A 21 -3.891 -1.800 5.397 1.00 20.69 N ATOM 183 CA SER A 21 -4.350 -1.187 6.635 1.00 28.23 C ATOM 184 C SER A 21 -3.276 -0.381 7.346 1.00 26.14 C ATOM 185 O SER A 21 -3.607 0.585 8.047 1.00 26.15 O ATOM 186 CB SER A 21 -4.892 -2.256 7.585 1.00 25.87 C ATOM 187 OG SER A 21 -6.171 -2.677 7.156 1.00 30.70 O ATOM 188 HG SER A 21 -6.104 -3.054 6.243 1.00 0.00 H ATOM 189 H SER A 21 -3.488 -2.758 5.417 1.00 0.00 H ATOM 190 N TYR A 22 -2.001 -0.738 7.181 1.00 20.12 N ATOM 191 CA TYR A 22 -0.949 -0.166 8.009 1.00 20.39 C ATOM 192 C TYR A 22 0.254 0.362 7.238 1.00 24.36 C ATOM 193 O TYR A 22 1.196 0.853 7.870 1.00 24.63 O ATOM 194 CB TYR A 22 -0.485 -1.207 9.038 1.00 17.22 C ATOM 195 CG TYR A 22 -1.643 -1.746 9.866 1.00 20.64 C ATOM 196 CD1 TYR A 22 -2.322 -0.925 10.759 1.00 21.74 C ATOM 197 CD2 TYR A 22 -2.062 -3.063 9.738 1.00 23.06 C ATOM 198 CE1 TYR A 22 -3.381 -1.401 11.516 1.00 19.81 C ATOM 199 CE2 TYR A 22 -3.125 -3.555 10.495 1.00 25.53 C ATOM 200 CZ TYR A 22 -3.778 -2.716 11.379 1.00 21.35 C ATOM 201 OH TYR A 22 -4.827 -3.192 12.132 1.00 25.05 O ATOM 202 HH TYR A 22 -5.176 -2.465 12.706 1.00 0.00 H ATOM 203 H TYR A 22 -1.755 -1.435 6.450 1.00 0.00 H ATOM 204 N GLY A 23 0.249 0.297 5.902 1.00 22.38 N ATOM 205 CA GLY A 23 1.373 0.818 5.135 1.00 21.14 C ATOM 206 C GLY A 23 1.466 2.331 5.119 1.00 23.55 C ATOM 207 O GLY A 23 2.519 2.878 4.775 1.00 23.57 O ATOM 208 H GLY A 23 -0.562 -0.128 5.408 1.00 0.00 H ATOM 209 N ALA A 24 0.386 3.016 5.480 1.00 23.92 N ATOM 210 CA ALA A 24 0.341 4.469 5.481 1.00 22.68 C ATOM 211 C ALA A 24 -0.845 4.907 6.329 1.00 24.13 C ATOM 212 O ALA A 24 -1.896 5.280 5.795 1.00 30.03 O ATOM 213 CB ALA A 24 0.224 5.019 4.060 1.00 27.35 C ATOM 214 H ALA A 24 -0.462 2.491 5.774 1.00 0.00 H ATOM 215 N TYR A 25 -0.695 4.838 7.647 1.00 20.84 N ATOM 216 CA TYR A 25 -1.780 5.147 8.570 1.00 22.94 C ATOM 217 C TYR A 25 -1.279 6.130 9.612 1.00 23.56 C ATOM 218 O TYR A 25 -0.280 5.866 10.291 1.00 20.37 O ATOM 219 CB TYR A 25 -2.303 3.879 9.242 1.00 19.65 C ATOM 220 CG TYR A 25 -3.488 4.073 10.173 1.00 21.93 C ATOM 221 CD1 TYR A 25 -3.307 4.451 11.503 1.00 24.56 C ATOM 222 CD2 TYR A 25 -4.786 3.834 9.734 1.00 28.01 C ATOM 223 CE1 TYR A 25 -4.397 4.610 12.364 1.00 21.24 C ATOM 224 CE2 TYR A 25 -5.876 3.986 10.590 1.00 26.79 C ATOM 225 CZ TYR A 25 -5.674 4.372 11.897 1.00 24.51 C ATOM 226 OH TYR A 25 -6.757 4.526 12.744 1.00 21.03 O ATOM 227 HH TYR A 25 -6.438 4.805 13.639 1.00 0.00 H ATOM 228 H TYR A 25 0.228 4.554 8.033 1.00 0.00 H ATOM 229 N GLY A 26 -1.984 7.248 9.747 1.00 22.69 N ATOM 230 CA GLY A 26 -1.634 8.222 10.754 1.00 22.93 C ATOM 231 C GLY A 26 -0.242 8.784 10.544 1.00 25.14 C ATOM 232 O GLY A 26 0.245 8.945 9.417 1.00 23.74 O ATOM 233 H GLY A 26 -2.796 7.423 9.121 1.00 0.00 H ATOM 234 N CYS A 27 0.418 9.084 11.660 1.00 25.76 N ATOM 235 CA CYS A 27 1.727 9.714 11.625 1.00 27.55 C ATOM 236 C CYS A 27 2.875 8.727 11.777 1.00 27.89 C ATOM 237 O CYS A 27 4.024 9.104 11.524 1.00 29.60 O ATOM 238 CB CYS A 27 1.819 10.787 12.720 1.00 33.36 C ATOM 239 SG CYS A 27 0.711 12.185 12.418 1.00 34.95 S ATOM 240 H CYS A 27 -0.014 8.862 12.580 1.00 0.00 H ATOM 241 N ASN A 28 2.601 7.478 12.164 1.00 22.51 N ATOM 242 CA ASN A 28 3.672 6.540 12.499 1.00 24.93 C ATOM 243 C ASN A 28 3.636 5.205 11.770 1.00 24.91 C ATOM 244 O ASN A 28 4.664 4.518 11.763 1.00 25.11 O ATOM 245 CB ASN A 28 3.688 6.254 14.010 1.00 22.02 C ATOM 246 CG ASN A 28 3.905 7.506 14.830 1.00 24.10 C ATOM 247 OD1 ASN A 28 5.039 7.920 15.063 1.00 27.76 O ATOM 248 ND2 ASN A 28 2.816 8.123 15.266 1.00 21.59 N ATOM 249 HD22 ASN A 28 1.876 7.737 15.045 1.00 0.00 H ATOM 250 HD21 ASN A 28 2.902 8.993 15.829 1.00 0.00 H ATOM 251 H ASN A 28 1.610 7.168 12.228 1.00 0.00 H ATOM 252 N CYS A 29 2.511 4.791 11.190 1.00 23.12 N ATOM 253 CA CYS A 29 2.455 3.524 10.465 1.00 23.98 C ATOM 254 C CYS A 29 2.858 3.786 9.019 1.00 28.81 C ATOM 255 O CYS A 29 2.100 4.398 8.261 1.00 30.18 O ATOM 256 CB CYS A 29 1.064 2.899 10.546 1.00 22.97 C ATOM 257 SG CYS A 29 0.413 2.721 12.230 1.00 26.47 S ATOM 258 H CYS A 29 1.657 5.380 11.254 1.00 0.00 H ATOM 259 N GLY A 30 4.049 3.343 8.634 1.00 29.21 N ATOM 260 CA GLY A 30 4.537 3.572 7.290 1.00 28.35 C ATOM 261 C GLY A 30 5.992 3.994 7.304 1.00 32.72 C ATOM 262 O GLY A 30 6.727 3.733 8.256 1.00 34.04 O ATOM 263 H GLY A 30 4.643 2.822 9.310 1.00 0.00 H ATOM 264 N VAL A 31 6.407 4.688 6.246 1.00 33.23 N ATOM 265 CA VAL A 31 7.833 4.925 6.029 1.00 43.69 C ATOM 266 C VAL A 31 8.205 6.400 6.155 1.00 52.94 C ATOM 267 O VAL A 31 9.152 6.866 5.510 1.00 66.54 O ATOM 268 CB VAL A 31 8.264 4.375 4.657 1.00 48.70 C ATOM 269 CG1 VAL A 31 8.154 2.859 4.652 1.00 46.56 C ATOM 270 CG2 VAL A 31 7.397 4.972 3.563 1.00 47.95 C ATOM 271 H VAL A 31 5.712 5.064 5.570 1.00 0.00 H ATOM 272 N LEU A 32 7.496 7.141 7.002 1.00 44.26 N ATOM 273 CA LEU A 32 7.729 8.574 7.143 1.00 52.88 C ATOM 274 C LEU A 32 8.198 8.970 8.543 1.00 48.24 C ATOM 275 O LEU A 32 7.863 10.053 9.027 1.00 52.64 O ATOM 276 H LEU A 32 6.758 6.688 7.578 1.00 0.00 H ATOM 277 N GLY A 33 8.988 8.118 9.202 1.00 41.38 N ATOM 278 CA GLY A 33 9.441 8.468 10.539 1.00 35.67 C ATOM 279 C GLY A 33 8.300 8.439 11.552 1.00 29.55 C ATOM 280 O GLY A 33 7.268 7.795 11.361 1.00 27.31 O ATOM 281 H GLY A 33 9.275 7.218 8.766 1.00 0.00 H ATOM 282 N ARG A 34 8.498 9.170 12.647 1.00 31.96 N ATOM 283 CA ARG A 34 7.532 9.223 13.734 1.00 27.84 C ATOM 284 C ARG A 34 6.843 10.584 13.795 1.00 30.91 C ATOM 285 O ARG A 34 7.309 11.575 13.226 1.00 30.71 O ATOM 286 CB ARG A 34 8.204 8.922 15.077 1.00 32.83 C ATOM 287 CG ARG A 34 8.842 7.541 15.165 1.00 40.36 C ATOM 288 CD ARG A 34 9.516 7.313 16.518 1.00 50.93 C ATOM 289 NE ARG A 34 10.330 8.457 16.926 1.00 53.99 N ATOM 290 CZ ARG A 34 10.092 9.193 18.008 1.00 55.18 C ATOM 291 NH1 ARG A 34 9.079 8.889 18.806 1.00 53.29 N ATOM 292 NH2 ARG A 34 10.874 10.222 18.304 1.00 54.02 N ATOM 293 HE ARG A 34 11.146 8.711 16.333 1.00 0.00 H ATOM 294 HH12 ARG A 34 8.893 9.464 19.652 1.00 0.00 H ATOM 295 HH11 ARG A 34 8.470 8.075 18.586 1.00 0.00 H ATOM 296 HH22 ARG A 34 10.683 10.794 19.151 1.00 0.00 H ATOM 297 HH21 ARG A 34 11.679 10.457 17.689 1.00 0.00 H ATOM 298 H ARG A 34 9.375 9.723 12.728 1.00 0.00 H ATOM 299 N GLY A 35 5.720 10.614 14.507 1.00 26.34 N ATOM 300 CA GLY A 35 4.952 11.824 14.738 1.00 25.85 C ATOM 301 C GLY A 35 4.049 11.608 15.930 1.00 28.22 C ATOM 302 O GLY A 35 3.890 10.486 16.417 1.00 31.08 O ATOM 303 H GLY A 35 5.374 9.724 14.920 1.00 0.00 H ATOM 304 N LYS A 36 3.437 12.679 16.423 1.00 27.22 N ATOM 305 CA LYS A 36 2.503 12.569 17.534 1.00 27.98 C ATOM 306 C LYS A 36 1.386 11.676 17.034 1.00 26.52 C ATOM 307 O LYS A 36 0.764 11.980 16.038 1.00 24.38 O ATOM 308 CB LYS A 36 1.955 13.933 17.918 1.00 35.19 C ATOM 309 CG LYS A 36 0.969 13.908 19.071 1.00 35.76 C ATOM 310 CD LYS A 36 0.349 15.281 19.286 1.00 39.70 C ATOM 311 CE LYS A 36 -0.878 15.216 20.179 1.00 48.64 C ATOM 312 NZ LYS A 36 -2.012 16.007 19.626 1.00 58.23 N ATOM 313 HZ1 LYS A 36 -1.727 17.003 19.536 1.00 0.00 H ATOM 314 HZ2 LYS A 36 -2.270 15.633 18.690 1.00 0.00 H ATOM 315 HZ3 LYS A 36 -2.828 15.935 20.267 1.00 0.00 H ATOM 316 H LYS A 36 3.629 13.613 16.008 1.00 0.00 H ATOM 317 N PRO A 37 1.119 10.578 17.736 1.00 26.22 N ATOM 318 CA PRO A 37 0.131 9.614 17.234 1.00 30.25 C ATOM 319 C PRO A 37 -1.275 10.198 17.197 1.00 26.65 C ATOM 320 O PRO A 37 -1.665 11.006 18.043 1.00 26.42 O ATOM 321 CB PRO A 37 0.235 8.444 18.221 1.00 29.48 C ATOM 322 CG PRO A 37 0.994 8.970 19.388 1.00 39.45 C ATOM 323 CD PRO A 37 1.884 10.049 18.873 1.00 31.09 C ATOM 324 N LYS A 38 -2.035 9.782 16.182 1.00 22.88 N ATOM 325 CA LYS A 38 -3.407 10.241 16.005 1.00 28.11 C ATOM 326 C LYS A 38 -4.413 9.424 16.804 1.00 33.29 C ATOM 327 O LYS A 38 -5.480 9.945 17.155 1.00 25.60 O ATOM 328 CB LYS A 38 -3.788 10.199 14.522 1.00 28.43 C ATOM 329 CG LYS A 38 -2.876 11.030 13.639 1.00 31.18 C ATOM 330 CD LYS A 38 -2.861 12.483 14.071 1.00 38.80 C ATOM 331 CE LYS A 38 -4.195 13.160 13.794 1.00 41.97 C ATOM 332 NZ LYS A 38 -4.122 14.625 14.054 1.00 44.31 N ATOM 333 HZ1 LYS A 38 -3.868 14.787 15.049 1.00 0.00 H ATOM 334 HZ2 LYS A 38 -3.400 15.050 13.437 1.00 0.00 H ATOM 335 HZ3 LYS A 38 -5.047 15.058 13.856 1.00 0.00 H ATOM 336 H LYS A 38 -1.636 9.110 15.496 1.00 0.00 H ATOM 337 N ASP A 39 -4.099 8.164 17.094 1.00 23.84 N ATOM 338 CA ASP A 39 -5.002 7.275 17.822 1.00 25.58 C ATOM 339 C ASP A 39 -4.194 6.081 18.327 1.00 28.40 C ATOM 340 O ASP A 39 -2.960 6.059 18.238 1.00 25.10 O ATOM 341 CB ASP A 39 -6.201 6.858 16.953 1.00 25.03 C ATOM 342 CG ASP A 39 -5.827 5.917 15.799 1.00 30.49 C ATOM 343 OD1 ASP A 39 -4.629 5.640 15.577 1.00 25.23 O ATOM 344 OD2 ASP A 39 -6.763 5.450 15.100 1.00 25.07 O ATOM 345 H ASP A 39 -3.174 7.797 16.791 1.00 0.00 H ATOM 346 N ALA A 40 -4.898 5.069 18.837 1.00 22.38 N ATOM 347 CA ALA A 40 -4.218 3.939 19.462 1.00 20.88 C ATOM 348 C ALA A 40 -3.462 3.099 18.441 1.00 19.60 C ATOM 349 O ALA A 40 -2.350 2.642 18.720 1.00 23.03 O ATOM 350 CB ALA A 40 -5.220 3.071 20.229 1.00 22.45 C ATOM 351 H ALA A 40 -5.937 5.085 18.789 1.00 0.00 H ATOM 352 N THR A 41 -4.061 2.855 17.270 1.00 19.75 N ATOM 353 CA THR A 41 -3.367 2.099 16.230 1.00 19.10 C ATOM 354 C THR A 41 -2.069 2.792 15.842 1.00 19.53 C ATOM 355 O THR A 41 -1.009 2.159 15.758 1.00 22.15 O ATOM 356 CB THR A 41 -4.274 1.928 15.010 1.00 20.07 C ATOM 357 OG1 THR A 41 -5.316 0.987 15.309 1.00 22.10 O ATOM 358 CG2 THR A 41 -3.474 1.440 13.800 1.00 22.01 C ATOM 359 HG1 THR A 41 -5.851 1.321 16.072 1.00 0.00 H ATOM 360 H THR A 41 -5.025 3.205 17.099 1.00 0.00 H ATOM 361 N ASP A 42 -2.145 4.100 15.609 1.00 20.73 N ATOM 362 CA ASP A 42 -0.957 4.903 15.334 1.00 27.46 C ATOM 363 C ASP A 42 0.053 4.801 16.472 1.00 22.34 C ATOM 364 O ASP A 42 1.267 4.737 16.235 1.00 20.79 O ATOM 365 CB ASP A 42 -1.383 6.355 15.112 1.00 23.43 C ATOM 366 CG ASP A 42 -0.393 7.147 14.281 1.00 25.33 C ATOM 367 OD1 ASP A 42 0.481 6.541 13.628 1.00 23.15 O ATOM 368 OD2 ASP A 42 -0.501 8.390 14.282 1.00 27.05 O ATOM 369 H ASP A 42 -3.076 4.563 15.623 1.00 0.00 H ATOM 370 N ARG A 43 -0.427 4.778 17.719 1.00 21.85 N ATOM 371 CA ARG A 43 0.479 4.661 18.859 1.00 23.26 C ATOM 372 C ARG A 43 1.245 3.346 18.847 1.00 22.79 C ATOM 373 O ARG A 43 2.412 3.314 19.258 1.00 21.69 O ATOM 374 CB ARG A 43 -0.298 4.801 20.171 1.00 22.85 C ATOM 375 CG ARG A 43 0.588 4.886 21.424 1.00 22.96 C ATOM 376 CD ARG A 43 -0.173 5.500 22.602 1.00 30.42 C ATOM 377 NE ARG A 43 -0.847 6.739 22.211 1.00 31.37 N ATOM 378 CZ ARG A 43 -2.165 6.866 22.067 1.00 38.01 C ATOM 379 NH1 ARG A 43 -2.688 8.029 21.687 1.00 32.11 N ATOM 380 NH2 ARG A 43 -2.965 5.834 22.313 1.00 44.17 N ATOM 381 HE ARG A 43 -0.257 7.577 22.034 1.00 0.00 H ATOM 382 HH12 ARG A 43 -3.718 8.125 21.576 1.00 0.00 H ATOM 383 HH11 ARG A 43 -2.067 8.842 21.501 1.00 0.00 H ATOM 384 HH22 ARG A 43 -3.994 5.935 22.200 1.00 0.00 H ATOM 385 HH21 ARG A 43 -2.562 4.925 22.619 1.00 0.00 H ATOM 386 H ARG A 43 -1.453 4.844 17.879 1.00 0.00 H ATOM 387 N CYS A 44 0.608 2.255 18.402 1.00 19.43 N ATOM 388 CA CYS A 44 1.324 0.990 18.235 1.00 24.71 C ATOM 389 C CYS A 44 2.554 1.171 17.359 1.00 23.25 C ATOM 390 O CYS A 44 3.651 0.710 17.697 1.00 20.16 O ATOM 391 CB CYS A 44 0.406 -0.067 17.614 1.00 23.08 C ATOM 392 SG CYS A 44 -1.071 -0.481 18.563 1.00 26.75 S ATOM 393 H CYS A 44 -0.405 2.308 18.173 1.00 0.00 H ATOM 394 N CYS A 45 2.378 1.825 16.210 1.00 21.91 N ATOM 395 CA CYS A 45 3.477 2.039 15.274 1.00 22.69 C ATOM 396 C CYS A 45 4.529 2.985 15.837 1.00 20.91 C ATOM 397 O CYS A 45 5.718 2.853 15.522 1.00 21.36 O ATOM 398 CB CYS A 45 2.917 2.586 13.963 1.00 23.81 C ATOM 399 SG CYS A 45 1.743 1.467 13.141 1.00 29.24 S ATOM 400 H CYS A 45 1.434 2.192 15.975 1.00 0.00 H ATOM 401 N TYR A 46 4.104 3.960 16.640 1.00 22.50 N ATOM 402 CA TYR A 46 5.040 4.843 17.327 1.00 22.36 C ATOM 403 C TYR A 46 5.956 4.047 18.254 1.00 23.80 C ATOM 404 O TYR A 46 7.187 4.176 18.206 1.00 22.88 O ATOM 405 CB TYR A 46 4.238 5.892 18.104 1.00 24.41 C ATOM 406 CG TYR A 46 5.037 6.831 18.970 1.00 32.98 C ATOM 407 CD1 TYR A 46 5.424 6.470 20.256 1.00 28.68 C ATOM 408 CD2 TYR A 46 5.362 8.101 18.521 1.00 42.58 C ATOM 409 CE1 TYR A 46 6.140 7.340 21.055 1.00 33.60 C ATOM 410 CE2 TYR A 46 6.070 8.977 19.314 1.00 48.11 C ATOM 411 CZ TYR A 46 6.459 8.591 20.578 1.00 44.28 C ATOM 412 OH TYR A 46 7.172 9.462 21.371 1.00 51.23 O ATOM 413 HH TYR A 46 8.020 9.699 20.919 1.00 0.00 H ATOM 414 H TYR A 46 3.082 4.094 16.780 1.00 0.00 H ATOM 415 N VAL A 47 5.357 3.217 19.109 1.00 21.34 N ATOM 416 CA VAL A 47 6.104 2.350 20.014 1.00 20.40 C ATOM 417 C VAL A 47 7.030 1.423 19.229 1.00 24.91 C ATOM 418 O VAL A 47 8.175 1.172 19.628 1.00 24.53 O ATOM 419 CB VAL A 47 5.106 1.556 20.882 1.00 20.46 C ATOM 420 CG1 VAL A 47 5.802 0.443 21.647 1.00 22.76 C ATOM 421 CG2 VAL A 47 4.367 2.496 21.831 1.00 27.47 C ATOM 422 H VAL A 47 4.318 3.187 19.131 1.00 0.00 H ATOM 423 N HIS A 48 6.537 0.891 18.112 1.00 21.55 N ATOM 424 CA HIS A 48 7.326 -0.009 17.273 1.00 23.33 C ATOM 425 C HIS A 48 8.581 0.676 16.748 1.00 24.16 C ATOM 426 O HIS A 48 9.673 0.098 16.774 1.00 22.29 O ATOM 427 CB HIS A 48 6.454 -0.492 16.115 1.00 24.16 C ATOM 428 CG HIS A 48 7.081 -1.555 15.266 1.00 22.86 C ATOM 429 ND1 HIS A 48 7.361 -1.365 13.930 1.00 26.45 N ATOM 430 CD2 HIS A 48 7.456 -2.823 15.551 1.00 24.61 C ATOM 431 CE1 HIS A 48 7.885 -2.470 13.430 1.00 27.05 C ATOM 432 NE2 HIS A 48 7.952 -3.372 14.392 1.00 24.53 N ATOM 433 H HIS A 48 5.563 1.122 17.829 1.00 0.00 H ATOM 434 N LYS A 49 8.443 1.914 16.272 1.00 22.06 N ATOM 435 CA LYS A 49 9.590 2.627 15.723 1.00 25.52 C ATOM 436 C LYS A 49 10.587 3.011 16.805 1.00 24.06 C ATOM 437 O LYS A 49 11.796 3.015 16.554 1.00 28.61 O ATOM 438 CB LYS A 49 9.118 3.856 14.949 1.00 22.85 C ATOM 439 CG LYS A 49 8.519 3.475 13.608 1.00 27.54 C ATOM 440 CD LYS A 49 8.205 4.665 12.742 1.00 22.73 C ATOM 441 CE LYS A 49 7.741 4.196 11.369 1.00 25.51 C ATOM 442 NZ LYS A 49 7.201 5.325 10.565 1.00 30.00 N ATOM 443 HZ1 LYS A 49 6.391 5.747 11.062 1.00 0.00 H ATOM 444 HZ2 LYS A 49 7.942 6.043 10.436 1.00 0.00 H ATOM 445 HZ3 LYS A 49 6.894 4.972 9.636 1.00 0.00 H ATOM 446 H LYS A 49 7.511 2.374 16.293 1.00 0.00 H ATOM 447 N CYS A 50 10.111 3.335 18.008 1.00 23.02 N ATOM 448 CA CYS A 50 11.033 3.544 19.120 1.00 23.77 C ATOM 449 C CYS A 50 11.751 2.250 19.486 1.00 34.81 C ATOM 450 O CYS A 50 12.934 2.270 19.847 1.00 30.13 O ATOM 451 CB CYS A 50 10.282 4.104 20.324 1.00 31.94 C ATOM 452 SG CYS A 50 9.796 5.835 20.116 1.00 36.12 S ATOM 453 H CYS A 50 9.086 3.438 18.153 1.00 0.00 H ATOM 454 N CYS A 51 11.047 1.117 19.384 1.00 28.70 N ATOM 455 CA CYS A 51 11.665 -0.183 19.629 1.00 30.39 C ATOM 456 C CYS A 51 12.776 -0.451 18.620 1.00 29.53 C ATOM 457 O CYS A 51 13.848 -0.945 18.985 1.00 34.86 O ATOM 458 CB CYS A 51 10.587 -1.275 19.575 1.00 33.17 C ATOM 459 SG CYS A 51 10.964 -2.902 20.330 1.00 41.23 S ATOM 460 H CYS A 51 10.041 1.163 19.125 1.00 0.00 H ATOM 461 N TYR A 52 12.537 -0.129 17.342 1.00 29.23 N ATOM 462 CA TYR A 52 13.554 -0.321 16.308 1.00 30.72 C ATOM 463 C TYR A 52 14.781 0.539 16.570 1.00 35.50 C ATOM 464 O TYR A 52 15.915 0.125 16.296 1.00 32.14 O ATOM 465 CB TYR A 52 12.988 0.017 14.927 1.00 28.21 C ATOM 466 CG TYR A 52 12.301 -1.116 14.211 1.00 27.64 C ATOM 467 CD1 TYR A 52 11.960 -2.284 14.875 1.00 25.55 C ATOM 468 CD2 TYR A 52 11.996 -1.016 12.859 1.00 30.65 C ATOM 469 CE1 TYR A 52 11.334 -3.319 14.217 1.00 27.38 C ATOM 470 CE2 TYR A 52 11.369 -2.049 12.191 1.00 29.55 C ATOM 471 CZ TYR A 52 11.040 -3.197 12.874 1.00 26.51 C ATOM 472 OH TYR A 52 10.417 -4.232 12.217 1.00 26.26 O ATOM 473 HH TYR A 52 10.254 -4.974 12.852 1.00 0.00 H ATOM 474 H TYR A 52 11.611 0.265 17.080 1.00 0.00 H ATOM 475 N LYS A 53 14.554 1.750 17.042 1.00 34.57 N ATOM 476 CA LYS A 53 15.628 2.671 17.330 1.00 35.76 C ATOM 477 C LYS A 53 16.495 2.104 18.437 1.00 36.99 C ATOM 478 O LYS A 53 17.673 2.397 18.496 1.00 42.10 O ATOM 479 CB LYS A 53 15.054 4.024 17.742 1.00 43.05 C ATOM 480 CG LYS A 53 15.804 5.226 17.199 1.00 52.54 C ATOM 481 CD LYS A 53 14.884 6.431 17.035 1.00 56.72 C ATOM 482 CE LYS A 53 15.668 7.717 16.822 1.00 63.42 C ATOM 483 NZ LYS A 53 15.742 8.154 15.398 1.00 62.57 N ATOM 484 HZ1 LYS A 53 16.206 7.414 14.833 1.00 0.00 H ATOM 485 HZ2 LYS A 53 14.781 8.317 15.036 1.00 0.00 H ATOM 486 HZ3 LYS A 53 16.291 9.035 15.335 1.00 0.00 H ATOM 487 H LYS A 53 13.573 2.050 17.212 1.00 0.00 H ATOM 488 N LYS A 57 16.317 1.404 19.209 1.00 37.95 N ATOM 489 CA LYS A 57 17.254 0.921 20.214 1.00 41.67 C ATOM 490 C LYS A 57 17.863 -0.431 19.858 1.00 41.26 C ATOM 491 O LYS A 57 18.536 -1.039 20.696 1.00 47.08 O ATOM 492 CB LYS A 57 16.586 0.853 21.593 1.00 49.20 C ATOM 493 CG LYS A 57 15.185 0.267 21.630 1.00 53.36 C ATOM 494 CD LYS A 57 14.776 -0.015 23.073 1.00 55.97 C ATOM 495 CE LYS A 57 13.268 0.055 23.269 1.00 52.15 C ATOM 496 NZ LYS A 57 12.897 -0.158 24.698 1.00 53.20 N ATOM 497 HZ1 LYS A 57 13.228 -1.095 25.005 1.00 0.00 H ATOM 498 HZ2 LYS A 57 13.342 0.577 25.284 1.00 0.00 H ATOM 499 HZ3 LYS A 57 11.863 -0.104 24.798 1.00 0.00 H ATOM 500 H LYS A 57 15.355 1.012 19.257 1.00 0.00 H ATOM 501 N LEU A 58 17.663 -0.905 18.632 1.00 42.29 N ATOM 502 CA LEU A 58 18.288 -2.144 18.189 1.00 42.15 C ATOM 503 C LEU A 58 19.730 -1.883 17.771 1.00 42.06 C ATOM 504 O LEU A 58 20.010 -0.934 17.032 1.00 42.92 O ATOM 505 CB LEU A 58 17.504 -2.757 17.028 1.00 30.75 C ATOM 506 CG LEU A 58 16.116 -3.304 17.362 1.00 35.19 C ATOM 507 CD1 LEU A 58 15.454 -3.841 16.110 1.00 31.09 C ATOM 508 CD2 LEU A 58 16.211 -4.390 18.421 1.00 39.40 C ATOM 509 H LEU A 58 17.048 -0.381 17.977 1.00 0.00 H ATOM 510 N THR A 59 20.644 -2.721 18.255 1.00 39.59 N ATOM 511 CA THR A 59 22.053 -2.649 17.893 1.00 44.97 C ATOM 512 C THR A 59 22.523 -4.045 17.518 1.00 50.25 C ATOM 513 O THR A 59 22.334 -4.991 18.288 1.00 55.73 O ATOM 514 CB THR A 59 22.905 -2.098 19.045 1.00 51.47 C ATOM 515 OG1 THR A 59 22.372 -0.845 19.487 1.00 54.24 O ATOM 516 CG2 THR A 59 24.341 -1.891 18.593 1.00 55.75 C ATOM 517 HG1 THR A 59 21.442 -0.975 19.801 1.00 0.00 H ATOM 518 H THR A 59 20.339 -3.459 18.921 1.00 0.00 H ATOM 519 N GLY A 60 23.128 -4.173 16.339 1.00 51.12 N ATOM 520 CA GLY A 60 23.661 -5.440 15.878 1.00 49.85 C ATOM 521 C GLY A 60 22.911 -6.077 14.726 1.00 50.44 C ATOM 522 O GLY A 60 23.349 -7.126 14.237 1.00 53.65 O ATOM 523 H GLY A 60 23.221 -3.336 15.728 1.00 0.00 H ATOM 524 N CYS A 61 21.802 -5.496 14.274 1.00 43.28 N ATOM 525 CA CYS A 61 21.070 -6.065 13.151 1.00 43.85 C ATOM 526 C CYS A 61 20.282 -4.965 12.451 1.00 42.02 C ATOM 527 O CYS A 61 20.116 -3.863 12.979 1.00 42.77 O ATOM 528 CB CYS A 61 20.157 -7.218 13.601 1.00 40.54 C ATOM 529 SG CYS A 61 18.851 -6.851 14.816 1.00 41.70 S ATOM 530 H CYS A 61 21.455 -4.627 14.727 1.00 0.00 H ATOM 531 N ASN A 67 19.817 -5.277 11.235 1.00 43.55 N ATOM 532 CA ASN A 67 19.086 -4.330 10.404 1.00 40.43 C ATOM 533 C ASN A 67 17.602 -4.656 10.464 1.00 38.47 C ATOM 534 O ASN A 67 17.176 -5.662 9.877 1.00 38.90 O ATOM 535 CB ASN A 67 19.588 -4.381 8.959 1.00 44.80 C ATOM 536 CG ASN A 67 18.950 -3.317 8.065 1.00 51.53 C ATOM 537 OD1 ASN A 67 17.857 -2.817 8.341 1.00 47.94 O ATOM 538 ND2 ASN A 67 19.634 -2.979 6.978 1.00 55.78 N ATOM 539 HD22 ASN A 67 20.553 -3.425 6.782 1.00 0.00 H ATOM 540 HD21 ASN A 67 19.251 -2.268 6.323 1.00 0.00 H ATOM 541 H ASN A 67 19.985 -6.236 10.868 1.00 0.00 H ATOM 542 N PRO A 68 16.780 -3.829 11.112 1.00 31.62 N ATOM 543 CA PRO A 68 15.379 -4.216 11.339 1.00 33.33 C ATOM 544 C PRO A 68 14.581 -4.384 10.062 1.00 28.40 C ATOM 545 O PRO A 68 13.607 -5.147 10.048 1.00 35.01 O ATOM 546 CB PRO A 68 14.829 -3.063 12.194 1.00 32.38 C ATOM 547 CG PRO A 68 16.029 -2.316 12.683 1.00 39.96 C ATOM 548 CD PRO A 68 17.076 -2.488 11.634 1.00 37.19 C ATOM 549 N LYS A 69 14.956 -3.695 8.986 1.00 34.69 N ATOM 550 CA LYS A 69 14.199 -3.771 7.745 1.00 33.51 C ATOM 551 C LYS A 69 14.578 -4.986 6.907 1.00 40.14 C ATOM 552 O LYS A 69 13.707 -5.599 6.281 1.00 43.60 O ATOM 553 CB LYS A 69 14.400 -2.491 6.927 1.00 41.69 C ATOM 554 H LYS A 69 15.803 -3.093 9.033 1.00 0.00 H ATOM 555 N LYS A 70 15.856 -5.364 6.899 1.00 37.02 N ATOM 556 CA LYS A 70 16.356 -6.374 5.975 1.00 33.02 C ATOM 557 C LYS A 70 16.661 -7.720 6.613 1.00 35.74 C ATOM 558 O LYS A 70 16.624 -8.735 5.915 1.00 38.97 O ATOM 559 CB LYS A 70 17.625 -5.868 5.275 1.00 37.98 C ATOM 560 H LYS A 70 16.516 -4.925 7.572 1.00 0.00 H ATOM 561 N ASP A 71 16.974 -7.763 7.905 1.00 36.20 N ATOM 562 CA ASP A 71 17.431 -8.998 8.533 1.00 35.85 C ATOM 563 C ASP A 71 16.250 -9.916 8.814 1.00 35.82 C ATOM 564 O ASP A 71 15.335 -9.555 9.562 1.00 34.46 O ATOM 565 CB ASP A 71 18.200 -8.690 9.816 1.00 32.04 C ATOM 566 CG ASP A 71 19.568 -8.107 9.539 1.00 42.07 C ATOM 567 OD1 ASP A 71 19.965 -8.069 8.357 1.00 46.45 O ATOM 568 OD2 ASP A 71 20.247 -7.684 10.493 1.00 42.87 O ATOM 569 H ASP A 71 16.891 -6.899 8.479 1.00 0.00 H ATOM 570 N ARG A 72 16.250 -11.026 8.103 1.00 31.25 N ATOM 571 CA ARG A 72 15.251 -12.087 8.365 1.00 32.31 C ATOM 572 C ARG A 72 15.532 -13.011 9.702 1.00 32.55 C ATOM 573 O ARG A 72 16.632 -13.192 10.318 1.00 33.66 O ATOM 574 CB ARG A 72 15.066 -12.961 7.130 1.00 34.41 C ATOM 575 CG ARG A 72 14.707 -12.181 5.877 1.00 37.81 C ATOM 576 CD ARG A 72 14.361 -13.101 4.725 1.00 41.43 C ATOM 577 NE ARG A 72 15.527 -13.859 4.292 1.00 45.33 N ATOM 578 CZ ARG A 72 16.476 -13.383 3.490 1.00 45.09 C ATOM 579 NH1 ARG A 72 17.502 -14.146 3.152 1.00 46.08 N ATOM 580 NH2 ARG A 72 16.396 -12.148 3.019 1.00 43.25 N ATOM 581 HE ARG A 72 15.624 -14.837 4.632 1.00 0.00 H ATOM 582 HH12 ARG A 72 18.243 -13.773 2.525 1.00 0.00 H ATOM 583 HH11 ARG A 72 17.568 -15.119 3.513 1.00 0.00 H ATOM 584 HH22 ARG A 72 17.141 -11.781 2.392 1.00 0.00 H ATOM 585 HH21 ARG A 72 15.589 -11.545 3.276 1.00 0.00 H ATOM 586 H ARG A 72 16.957 -11.158 7.352 1.00 0.00 H ATOM 587 N TYR A 73 14.428 -13.470 10.241 1.00 36.02 N ATOM 588 CA TYR A 73 14.548 -14.278 11.445 1.00 31.11 C ATOM 589 C TYR A 73 13.417 -15.293 11.472 1.00 29.60 C ATOM 590 O TYR A 73 12.434 -15.184 10.738 1.00 29.81 O ATOM 591 CB TYR A 73 14.527 -13.410 12.707 1.00 29.13 C ATOM 592 CG TYR A 73 13.286 -12.555 12.819 1.00 26.94 C ATOM 593 CD1 TYR A 73 12.109 -13.072 13.353 1.00 27.27 C ATOM 594 CD2 TYR A 73 13.288 -11.236 12.395 1.00 24.96 C ATOM 595 CE1 TYR A 73 10.977 -12.309 13.451 1.00 25.36 C ATOM 596 CE2 TYR A 73 12.144 -10.451 12.497 1.00 23.38 C ATOM 597 CZ TYR A 73 10.997 -11.002 13.029 1.00 23.64 C ATOM 598 OH TYR A 73 9.858 -10.252 13.136 1.00 23.29 O ATOM 599 HH TYR A 73 10.034 -9.467 13.713 1.00 0.00 H ATOM 600 H TYR A 73 13.499 -13.264 9.822 1.00 0.00 H ATOM 601 N SER A 74 13.562 -16.268 12.359 1.00 28.26 N ATOM 602 CA SER A 74 12.640 -17.386 12.484 1.00 36.31 C ATOM 603 C SER A 74 11.716 -17.173 13.675 1.00 35.13 C ATOM 604 O SER A 74 12.159 -16.761 14.751 1.00 31.98 O ATOM 605 CB SER A 74 13.427 -18.691 12.647 1.00 32.20 C ATOM 606 OG SER A 74 12.580 -19.820 12.755 1.00 37.74 O ATOM 607 HG SER A 74 13.131 -20.636 12.858 1.00 0.00 H ATOM 608 H SER A 74 14.380 -16.231 13.000 1.00 0.00 H ATOM 609 N TYR A 75 10.427 -17.445 13.477 1.00 29.27 N ATOM 610 CA TYR A 75 9.500 -17.524 14.596 1.00 27.80 C ATOM 611 C TYR A 75 8.465 -18.595 14.292 1.00 31.10 C ATOM 612 O TYR A 75 8.350 -19.085 13.164 1.00 30.80 O ATOM 613 CB TYR A 75 8.837 -16.172 14.902 1.00 27.55 C ATOM 614 CG TYR A 75 7.760 -15.747 13.926 1.00 25.87 C ATOM 615 CD1 TYR A 75 8.081 -15.035 12.782 1.00 30.50 C ATOM 616 CD2 TYR A 75 6.421 -16.050 14.158 1.00 26.96 C ATOM 617 CE1 TYR A 75 7.100 -14.635 11.887 1.00 27.97 C ATOM 618 CE2 TYR A 75 5.436 -15.656 13.268 1.00 31.80 C ATOM 619 CZ TYR A 75 5.785 -14.950 12.134 1.00 28.18 C ATOM 620 OH TYR A 75 4.816 -14.549 11.246 1.00 25.09 O ATOM 621 HH TYR A 75 4.172 -13.956 11.708 1.00 0.00 H ATOM 622 H TYR A 75 10.079 -17.603 12.510 1.00 0.00 H ATOM 623 N SER A 76 7.725 -18.974 15.321 1.00 27.99 N ATOM 624 CA SER A 76 6.747 -20.041 15.206 1.00 31.62 C ATOM 625 C SER A 76 5.383 -19.543 15.647 1.00 29.35 C ATOM 626 O SER A 76 5.266 -18.626 16.467 1.00 28.09 O ATOM 627 CB SER A 76 7.153 -21.270 16.036 1.00 31.88 C ATOM 628 OG SER A 76 8.309 -21.882 15.497 1.00 45.82 O ATOM 629 HG SER A 76 8.551 -22.669 16.047 1.00 0.00 H ATOM 630 H SER A 76 7.847 -18.495 16.236 1.00 0.00 H ATOM 631 N TRP A 77 4.355 -20.156 15.076 1.00 29.06 N ATOM 632 CA TRP A 77 2.957 -19.860 15.368 1.00 33.84 C ATOM 633 C TRP A 77 2.430 -21.081 16.118 1.00 38.56 C ATOM 634 O TRP A 77 2.027 -22.075 15.514 1.00 40.29 O ATOM 635 CB TRP A 77 2.211 -19.587 14.073 1.00 34.76 C ATOM 636 CG TRP A 77 0.769 -19.247 14.188 1.00 31.60 C ATOM 637 CD1 TRP A 77 -0.283 -20.028 13.813 1.00 33.61 C ATOM 638 CD2 TRP A 77 0.209 -18.022 14.669 1.00 32.40 C ATOM 639 NE1 TRP A 77 -1.463 -19.372 14.042 1.00 34.49 N ATOM 640 CE2 TRP A 77 -1.189 -18.136 14.566 1.00 32.67 C ATOM 641 CE3 TRP A 77 0.753 -16.843 15.184 1.00 30.77 C ATOM 642 CZ2 TRP A 77 -2.054 -17.114 14.959 1.00 30.38 C ATOM 643 CZ3 TRP A 77 -0.105 -15.832 15.572 1.00 28.91 C ATOM 644 CH2 TRP A 77 -1.492 -15.974 15.458 1.00 30.46 C ATOM 645 HE1 TRP A 77 -2.412 -19.750 13.850 1.00 0.00 H ATOM 646 H TRP A 77 4.559 -20.896 14.374 1.00 0.00 H ATOM 647 N LYS A 78 2.471 -21.012 17.445 1.00 33.99 N ATOM 648 CA LYS A 78 2.155 -22.142 18.308 1.00 34.71 C ATOM 649 C LYS A 78 1.001 -21.755 19.220 1.00 33.55 C ATOM 650 O LYS A 78 1.101 -20.774 19.963 1.00 30.58 O ATOM 651 CB LYS A 78 3.377 -22.559 19.129 1.00 39.68 C ATOM 652 H LYS A 78 2.741 -20.110 17.887 1.00 0.00 H ATOM 653 N ASP A 79 -0.082 -22.538 19.176 1.00 31.99 N ATOM 654 CA ASP A 79 -1.299 -22.227 19.924 1.00 31.13 C ATOM 655 C ASP A 79 -1.756 -20.799 19.627 1.00 29.56 C ATOM 656 O ASP A 79 -2.164 -20.047 20.517 1.00 31.78 O ATOM 657 CB ASP A 79 -1.093 -22.457 21.423 1.00 37.11 C ATOM 658 CG ASP A 79 -2.395 -22.422 22.205 1.00 60.57 C ATOM 659 OD1 ASP A 79 -3.312 -23.203 21.872 1.00 68.45 O ATOM 660 OD2 ASP A 79 -2.510 -21.600 23.140 1.00 67.47 O ATOM 661 H ASP A 79 -0.058 -23.397 18.590 1.00 0.00 H ATOM 662 N LYS A 80 -1.660 -20.421 18.350 1.00 28.34 N ATOM 663 CA LYS A 80 -2.063 -19.099 17.872 1.00 26.49 C ATOM 664 C LYS A 80 -1.360 -17.988 18.649 1.00 28.17 C ATOM 665 O LYS A 80 -1.956 -16.962 18.985 1.00 23.93 O ATOM 666 CB LYS A 80 -3.584 -18.932 17.921 1.00 29.06 C ATOM 667 CG LYS A 80 -4.317 -19.948 17.053 1.00 36.15 C ATOM 668 CD LYS A 80 -5.782 -19.584 16.861 1.00 34.74 C ATOM 669 CE LYS A 80 -6.600 -19.856 18.105 1.00 33.70 C ATOM 670 NZ LYS A 80 -8.057 -19.866 17.783 1.00 33.90 N ATOM 671 HZ1 LYS A 80 -8.331 -18.941 17.394 1.00 0.00 H ATOM 672 HZ2 LYS A 80 -8.251 -20.610 17.082 1.00 0.00 H ATOM 673 HZ3 LYS A 80 -8.601 -20.054 18.649 1.00 0.00 H ATOM 674 H LYS A 80 -1.280 -21.101 17.661 1.00 0.00 H ATOM 675 N THR A 81 -0.083 -18.202 18.950 1.00 27.63 N ATOM 676 CA THR A 81 0.765 -17.200 19.579 1.00 30.04 C ATOM 677 C THR A 81 2.049 -17.102 18.775 1.00 25.19 C ATOM 678 O THR A 81 2.558 -18.115 18.289 1.00 26.58 O ATOM 679 CB THR A 81 1.082 -17.565 21.043 1.00 35.04 C ATOM 680 OG1 THR A 81 -0.140 -17.741 21.767 1.00 34.73 O ATOM 681 CG2 THR A 81 1.898 -16.472 21.719 1.00 38.41 C ATOM 682 HG1 THR A 81 -0.666 -18.469 21.352 1.00 0.00 H ATOM 683 H THR A 81 0.330 -19.130 18.725 1.00 0.00 H ATOM 684 N ILE A 82 2.556 -15.884 18.612 1.00 24.81 N ATOM 685 CA ILE A 82 3.863 -15.687 17.994 1.00 24.06 C ATOM 686 C ILE A 82 4.926 -16.051 19.024 1.00 26.32 C ATOM 687 O ILE A 82 4.954 -15.490 20.125 1.00 24.81 O ATOM 688 CB ILE A 82 4.036 -14.245 17.501 1.00 25.08 C ATOM 689 CG1 ILE A 82 3.047 -13.943 16.366 1.00 22.09 C ATOM 690 CG2 ILE A 82 5.467 -14.015 17.041 1.00 23.88 C ATOM 691 CD1 ILE A 82 2.797 -12.466 16.148 1.00 24.79 C ATOM 692 H ILE A 82 2.012 -15.057 18.931 1.00 0.00 H ATOM 693 N VAL A 83 5.790 -17.001 18.684 1.00 26.46 N ATOM 694 CA VAL A 83 6.854 -17.439 19.578 1.00 30.18 C ATOM 695 C VAL A 83 8.173 -17.176 18.870 1.00 32.01 C ATOM 696 O VAL A 83 8.511 -17.857 17.893 1.00 30.09 O ATOM 697 CB VAL A 83 6.719 -18.914 19.974 1.00 32.76 C ATOM 698 CG1 VAL A 83 7.896 -19.329 20.838 1.00 29.92 C ATOM 699 CG2 VAL A 83 5.407 -19.144 20.705 1.00 36.02 C ATOM 700 H VAL A 83 5.704 -17.447 17.748 1.00 0.00 H ATOM 701 N CYS A 84 8.918 -16.192 19.362 1.00 27.68 N ATOM 702 CA CYS A 84 10.188 -15.841 18.747 1.00 30.40 C ATOM 703 C CYS A 84 11.196 -16.965 18.953 1.00 38.49 C ATOM 704 O CYS A 84 11.395 -17.443 20.074 1.00 39.82 O ATOM 705 CB CYS A 84 10.695 -14.520 19.324 1.00 29.47 C ATOM 706 SG CYS A 84 9.700 -13.108 18.738 1.00 33.95 S ATOM 707 H CYS A 84 8.589 -15.667 20.197 1.00 0.00 H ATOM 708 N GLY A 85 11.809 -17.409 17.859 1.00 44.38 N ATOM 709 CA GLY A 85 12.672 -18.572 17.897 1.00 51.17 C ATOM 710 C GLY A 85 14.127 -18.250 17.644 1.00 47.35 C ATOM 711 O GLY A 85 14.851 -19.040 17.028 1.00 52.06 O ATOM 712 H GLY A 85 11.666 -16.911 16.957 1.00 0.00 H ATOM 713 N GLU A 86 14.567 -17.090 18.114 1.00 33.70 N ATOM 714 CA GLU A 86 15.952 -16.670 17.990 1.00 37.36 C ATOM 715 C GLU A 86 16.529 -16.419 19.375 1.00 40.00 C ATOM 716 O GLU A 86 15.820 -15.994 20.293 1.00 38.30 O ATOM 717 CB GLU A 86 16.075 -15.396 17.141 1.00 41.04 C ATOM 718 CG GLU A 86 15.465 -15.501 15.753 1.00 41.17 C ATOM 719 CD GLU A 86 16.277 -16.376 14.816 1.00 44.79 C ATOM 720 OE1 GLU A 86 17.404 -16.771 15.188 1.00 48.12 O ATOM 721 OE2 GLU A 86 15.786 -16.669 13.703 1.00 42.95 O ATOM 722 H GLU A 86 13.894 -16.456 18.590 1.00 0.00 H ATOM 723 N ASN A 87 17.824 -16.684 19.521 1.00 33.02 N ATOM 724 CA ASN A 87 18.530 -16.357 20.750 1.00 34.17 C ATOM 725 C ASN A 87 19.688 -15.388 20.543 1.00 40.77 C ATOM 726 O ASN A 87 20.270 -14.932 21.535 1.00 36.62 O ATOM 727 CB ASN A 87 19.031 -17.632 21.451 1.00 50.49 C ATOM 728 CG ASN A 87 19.846 -18.533 20.539 1.00 60.26 C ATOM 729 OD1 ASN A 87 20.108 -18.200 19.383 1.00 66.87 O ATOM 730 ND2 ASN A 87 20.260 -19.683 21.066 1.00 63.29 N ATOM 731 HD22 ASN A 87 20.015 -19.923 22.048 1.00 0.00 H ATOM 732 HD21 ASN A 87 20.829 -20.341 20.496 1.00 0.00 H ATOM 733 H ASN A 87 18.343 -17.134 18.740 1.00 0.00 H ATOM 734 N ASN A 88 20.038 -15.063 19.300 1.00 38.11 N ATOM 735 CA ASN A 88 20.899 -13.916 19.053 1.00 34.44 C ATOM 736 C ASN A 88 20.215 -12.670 19.612 1.00 31.36 C ATOM 737 O ASN A 88 19.038 -12.432 19.312 1.00 29.50 O ATOM 738 CB ASN A 88 21.173 -13.768 17.554 1.00 33.40 C ATOM 739 CG ASN A 88 21.816 -12.440 17.200 1.00 32.73 C ATOM 740 OD1 ASN A 88 21.127 -11.483 16.833 1.00 32.88 O ATOM 741 ND2 ASN A 88 23.137 -12.375 17.296 1.00 34.69 N ATOM 742 HD22 ASN A 88 23.677 -13.207 17.610 1.00 0.00 H ATOM 743 HD21 ASN A 88 23.633 -11.492 17.058 1.00 0.00 H ATOM 744 H ASN A 88 19.694 -15.632 18.501 1.00 0.00 H ATOM 745 N PRO A 90 20.896 -11.873 20.442 1.00 29.25 N ATOM 746 CA PRO A 90 20.184 -10.805 21.173 1.00 32.10 C ATOM 747 C PRO A 90 19.448 -9.826 20.279 1.00 29.32 C ATOM 748 O PRO A 90 18.301 -9.472 20.578 1.00 26.41 O ATOM 749 CB PRO A 90 21.308 -10.120 21.960 1.00 32.59 C ATOM 750 CG PRO A 90 22.346 -11.170 22.112 1.00 35.10 C ATOM 751 CD PRO A 90 22.309 -11.958 20.837 1.00 31.32 C ATOM 752 N CYS A 91 20.064 -9.382 19.180 1.00 29.01 N ATOM 753 CA CYS A 91 19.407 -8.400 18.322 1.00 26.03 C ATOM 754 C CYS A 91 18.189 -8.998 17.631 1.00 30.57 C ATOM 755 O CYS A 91 17.099 -8.410 17.655 1.00 28.81 O ATOM 756 CB CYS A 91 20.389 -7.849 17.288 1.00 33.73 C ATOM 757 SG CYS A 91 19.826 -6.309 16.514 1.00 37.92 S ATOM 758 H CYS A 91 21.011 -9.736 18.936 1.00 0.00 H ATOM 759 N LEU A 92 18.354 -10.164 16.998 1.00 24.45 N ATOM 760 CA LEU A 92 17.224 -10.779 16.304 1.00 24.08 C ATOM 761 C LEU A 92 16.099 -11.126 17.272 1.00 24.54 C ATOM 762 O LEU A 92 14.917 -11.012 16.927 1.00 25.22 O ATOM 763 CB LEU A 92 17.678 -12.023 15.539 1.00 28.94 C ATOM 764 CG LEU A 92 18.512 -11.804 14.271 1.00 30.16 C ATOM 765 CD1 LEU A 92 18.731 -13.121 13.544 1.00 26.75 C ATOM 766 CD2 LEU A 92 17.851 -10.794 13.347 1.00 31.46 C ATOM 767 H LEU A 92 19.283 -10.632 16.999 1.00 0.00 H ATOM 768 N LYS A 93 16.449 -11.487 18.491 1.00 24.04 N ATOM 769 CA LYS A 93 15.452 -11.789 19.490 1.00 25.22 C ATOM 770 C LYS A 93 14.650 -10.518 19.798 1.00 26.89 C ATOM 771 O LYS A 93 13.436 -10.530 19.795 1.00 22.13 O ATOM 772 CB LYS A 93 16.110 -12.331 20.754 1.00 26.85 C ATOM 773 CG LYS A 93 15.229 -12.288 21.984 1.00 34.13 C ATOM 774 CD LYS A 93 15.447 -13.486 22.886 1.00 49.34 C ATOM 775 CE LYS A 93 16.625 -13.310 23.833 1.00 55.40 C ATOM 776 NZ LYS A 93 17.103 -14.611 24.398 1.00 57.71 N ATOM 777 HZ1 LYS A 93 16.330 -15.063 24.927 1.00 0.00 H ATOM 778 HZ2 LYS A 93 17.404 -15.235 23.622 1.00 0.00 H ATOM 779 HZ3 LYS A 93 17.906 -14.436 25.036 1.00 0.00 H ATOM 780 H LYS A 93 17.457 -11.555 18.736 1.00 0.00 H ATOM 781 N GLU A 94 15.350 -9.419 20.037 1.00 23.14 N ATOM 782 CA GLU A 94 14.707 -8.151 20.330 1.00 22.83 C ATOM 783 C GLU A 94 13.909 -7.664 19.138 1.00 24.13 C ATOM 784 O GLU A 94 12.826 -7.135 19.293 1.00 22.44 O ATOM 785 CB GLU A 94 15.731 -7.101 20.718 1.00 26.64 C ATOM 786 CG GLU A 94 16.186 -7.213 22.150 1.00 32.64 C ATOM 787 CD GLU A 94 17.328 -6.272 22.460 1.00 47.82 C ATOM 788 OE1 GLU A 94 18.427 -6.782 22.745 1.00 55.25 O ATOM 789 OE2 GLU A 94 17.130 -5.036 22.412 1.00 58.02 O ATOM 790 H GLU A 94 16.389 -9.466 20.014 1.00 0.00 H ATOM 791 N LEU A 95 14.473 -7.823 17.954 1.00 21.91 N ATOM 792 CA LEU A 95 13.755 -7.432 16.749 1.00 21.18 C ATOM 793 C LEU A 95 12.458 -8.210 16.630 1.00 24.67 C ATOM 794 O LEU A 95 11.391 -7.631 16.393 1.00 22.93 O ATOM 795 CB LEU A 95 14.632 -7.663 15.516 1.00 24.65 C ATOM 796 CG LEU A 95 14.001 -7.440 14.140 1.00 23.98 C ATOM 797 CD1 LEU A 95 13.464 -6.027 14.016 1.00 23.08 C ATOM 798 CD2 LEU A 95 15.035 -7.713 13.051 1.00 25.26 C ATOM 799 H LEU A 95 15.429 -8.227 17.883 1.00 0.00 H ATOM 800 N CYS A 96 12.537 -9.534 16.794 1.00 24.13 N ATOM 801 CA CYS A 96 11.340 -10.364 16.740 1.00 22.55 C ATOM 802 C CYS A 96 10.315 -9.922 17.781 1.00 22.76 C ATOM 803 O CYS A 96 9.107 -9.925 17.515 1.00 22.72 O ATOM 804 CB CYS A 96 11.720 -11.831 16.940 1.00 26.78 C ATOM 805 SG CYS A 96 10.327 -12.962 16.818 1.00 30.01 S ATOM 806 H CYS A 96 13.463 -9.977 16.962 1.00 0.00 H ATOM 807 N GLU A 97 10.777 -9.525 18.969 1.00 24.99 N ATOM 808 CA GLU A 97 9.844 -9.100 20.012 1.00 23.08 C ATOM 809 C GLU A 97 9.206 -7.753 19.687 1.00 21.21 C ATOM 810 O GLU A 97 8.028 -7.540 20.004 1.00 24.03 O ATOM 811 CB GLU A 97 10.550 -9.053 21.367 1.00 24.17 C ATOM 812 CG GLU A 97 10.990 -10.414 21.878 1.00 27.77 C ATOM 813 CD GLU A 97 9.813 -11.300 22.266 1.00 38.60 C ATOM 814 OE1 GLU A 97 8.731 -10.755 22.572 1.00 34.63 O ATOM 815 OE2 GLU A 97 9.970 -12.538 22.269 1.00 33.52 O ATOM 816 H GLU A 97 11.801 -9.518 19.153 1.00 0.00 H ATOM 817 N CYS A 98 9.967 -6.828 19.078 1.00 20.74 N ATOM 818 CA CYS A 98 9.397 -5.566 18.604 1.00 19.93 C ATOM 819 C CYS A 98 8.245 -5.819 17.646 1.00 22.87 C ATOM 820 O CYS A 98 7.174 -5.208 17.764 1.00 19.29 O ATOM 821 CB CYS A 98 10.451 -4.712 17.878 1.00 26.34 C ATOM 822 SG CYS A 98 11.816 -3.983 18.826 1.00 36.34 S ATOM 823 H CYS A 98 10.981 -7.012 18.941 1.00 0.00 H ATOM 824 N ASP A 99 8.476 -6.693 16.657 1.00 21.37 N ATOM 825 CA ASP A 99 7.487 -6.987 15.620 1.00 17.33 C ATOM 826 C ASP A 99 6.286 -7.718 16.197 1.00 19.43 C ATOM 827 O ASP A 99 5.142 -7.423 15.838 1.00 21.17 O ATOM 828 CB ASP A 99 8.123 -7.838 14.514 1.00 19.88 C ATOM 829 CG ASP A 99 9.108 -7.061 13.654 1.00 22.45 C ATOM 830 OD1 ASP A 99 9.169 -5.822 13.772 1.00 21.30 O ATOM 831 OD2 ASP A 99 9.831 -7.702 12.853 1.00 22.28 O ATOM 832 H ASP A 99 9.394 -7.181 16.625 1.00 0.00 H ATOM 833 N LYS A 100 6.531 -8.704 17.062 1.00 19.16 N ATOM 834 CA LYS A 100 5.433 -9.388 17.739 1.00 25.84 C ATOM 835 C LYS A 100 4.557 -8.403 18.503 1.00 20.56 C ATOM 836 O LYS A 100 3.323 -8.469 18.430 1.00 18.99 O ATOM 837 CB LYS A 100 5.984 -10.448 18.691 1.00 22.45 C ATOM 838 CG LYS A 100 4.923 -11.055 19.603 1.00 23.21 C ATOM 839 CD LYS A 100 5.513 -12.058 20.568 1.00 24.09 C ATOM 840 CE LYS A 100 4.449 -12.549 21.538 1.00 25.54 C ATOM 841 NZ LYS A 100 4.905 -13.762 22.274 1.00 28.26 N ATOM 842 HZ1 LYS A 100 5.110 -14.522 21.594 1.00 0.00 H ATOM 843 HZ2 LYS A 100 5.765 -13.536 22.813 1.00 0.00 H ATOM 844 HZ3 LYS A 100 4.157 -14.071 22.927 1.00 0.00 H ATOM 845 H LYS A 100 7.513 -8.988 17.256 1.00 0.00 H ATOM 846 N ALA A 101 5.181 -7.473 19.230 1.00 19.20 N ATOM 847 CA ALA A 101 4.422 -6.531 20.041 1.00 22.77 C ATOM 848 C ALA A 101 3.549 -5.630 19.178 1.00 21.60 C ATOM 849 O ALA A 101 2.389 -5.376 19.521 1.00 19.75 O ATOM 850 CB ALA A 101 5.368 -5.701 20.915 1.00 21.61 C ATOM 851 H ALA A 101 6.220 -7.421 19.217 1.00 0.00 H ATOM 852 N VAL A 102 4.072 -5.143 18.047 1.00 19.32 N ATOM 853 CA VAL A 102 3.247 -4.257 17.232 1.00 19.95 C ATOM 854 C VAL A 102 2.104 -5.032 16.585 1.00 20.89 C ATOM 855 O VAL A 102 0.992 -4.512 16.458 1.00 21.13 O ATOM 856 CB VAL A 102 4.086 -3.488 16.191 1.00 17.70 C ATOM 857 CG1 VAL A 102 4.455 -4.361 14.998 1.00 20.40 C ATOM 858 CG2 VAL A 102 3.315 -2.254 15.719 1.00 21.28 C ATOM 859 H VAL A 102 5.040 -5.389 17.757 1.00 0.00 H ATOM 860 N ALA A 103 2.348 -6.283 16.174 1.00 18.76 N ATOM 861 CA ALA A 103 1.282 -7.072 15.567 1.00 21.58 C ATOM 862 C ALA A 103 0.150 -7.294 16.564 1.00 22.69 C ATOM 863 O ALA A 103 -1.033 -7.116 16.236 1.00 19.36 O ATOM 864 CB ALA A 103 1.836 -8.407 15.062 1.00 21.14 C ATOM 865 H ALA A 103 3.297 -6.692 16.288 1.00 0.00 H ATOM 866 N ILE A 104 0.502 -7.666 17.797 1.00 19.55 N ATOM 867 CA ILE A 104 -0.500 -7.846 18.845 1.00 19.81 C ATOM 868 C ILE A 104 -1.196 -6.525 19.144 1.00 22.68 C ATOM 869 O ILE A 104 -2.427 -6.467 19.258 1.00 23.04 O ATOM 870 CB ILE A 104 0.157 -8.442 20.106 1.00 22.30 C ATOM 871 CG1 ILE A 104 0.618 -9.877 19.841 1.00 25.68 C ATOM 872 CG2 ILE A 104 -0.801 -8.374 21.301 1.00 28.58 C ATOM 873 CD1 ILE A 104 1.533 -10.440 20.925 1.00 26.63 C ATOM 874 H ILE A 104 1.506 -7.830 18.015 1.00 0.00 H ATOM 875 N CYS A 105 -0.419 -5.443 19.270 1.00 23.35 N ATOM 876 CA CYS A 105 -0.994 -4.132 19.564 1.00 24.46 C ATOM 877 C CYS A 105 -1.978 -3.707 18.484 1.00 25.11 C ATOM 878 O CYS A 105 -3.045 -3.163 18.790 1.00 19.09 O ATOM 879 CB CYS A 105 0.118 -3.093 19.705 1.00 25.63 C ATOM 880 SG CYS A 105 -0.397 -1.422 20.243 1.00 32.02 S ATOM 881 H CYS A 105 0.611 -5.536 19.157 1.00 0.00 H ATOM 882 N LEU A 106 -1.639 -3.950 17.212 1.00 21.00 N ATOM 883 CA LEU A 106 -2.536 -3.560 16.128 1.00 15.74 C ATOM 884 C LEU A 106 -3.836 -4.349 16.184 1.00 24.84 C ATOM 885 O LEU A 106 -4.919 -3.775 16.013 1.00 23.28 O ATOM 886 CB LEU A 106 -1.847 -3.742 14.775 1.00 17.83 C ATOM 887 CG LEU A 106 -0.708 -2.757 14.476 1.00 16.99 C ATOM 888 CD1 LEU A 106 0.041 -3.149 13.201 1.00 17.81 C ATOM 889 CD2 LEU A 106 -1.229 -1.335 14.381 1.00 22.80 C ATOM 890 H LEU A 106 -0.735 -4.417 16.996 1.00 0.00 H ATOM 891 N ARG A 107 -3.756 -5.663 16.433 1.00 20.62 N ATOM 892 CA ARG A 107 -4.975 -6.446 16.625 1.00 23.20 C ATOM 893 C ARG A 107 -5.802 -5.900 17.783 1.00 20.54 C ATOM 894 O ARG A 107 -7.032 -5.783 17.684 1.00 19.23 O ATOM 895 CB ARG A 107 -4.646 -7.923 16.876 1.00 21.11 C ATOM 896 CG ARG A 107 -5.880 -8.710 17.304 1.00 31.50 C ATOM 897 CD ARG A 107 -5.601 -10.173 17.633 1.00 39.39 C ATOM 898 NE ARG A 107 -4.453 -10.354 18.516 1.00 37.69 N ATOM 899 CZ ARG A 107 -4.509 -10.352 19.843 1.00 41.81 C ATOM 900 NH1 ARG A 107 -5.665 -10.166 20.470 1.00 38.12 N ATOM 901 NH2 ARG A 107 -3.400 -10.536 20.546 1.00 42.62 N ATOM 902 HE ARG A 107 -3.522 -10.495 18.073 1.00 0.00 H ATOM 903 HH12 ARG A 107 -5.699 -10.166 21.509 1.00 0.00 H ATOM 904 HH11 ARG A 107 -6.537 -10.020 19.922 1.00 0.00 H ATOM 905 HH22 ARG A 107 -3.437 -10.536 21.585 1.00 0.00 H ATOM 906 HH21 ARG A 107 -2.493 -10.681 20.058 1.00 0.00 H ATOM 907 H ARG A 107 -2.826 -6.126 16.490 1.00 0.00 H ATOM 908 N GLU A 108 -5.143 -5.560 18.891 1.00 20.10 N ATOM 909 CA GLU A 108 -5.856 -5.119 20.085 1.00 21.44 C ATOM 910 C GLU A 108 -6.570 -3.794 19.893 1.00 20.64 C ATOM 911 O GLU A 108 -7.451 -3.458 20.693 1.00 23.01 O ATOM 912 CB GLU A 108 -4.884 -5.006 21.256 1.00 26.43 C ATOM 913 CG GLU A 108 -4.377 -6.352 21.722 1.00 32.18 C ATOM 914 CD GLU A 108 -3.324 -6.237 22.795 1.00 39.11 C ATOM 915 OE1 GLU A 108 -2.627 -5.200 22.839 1.00 36.65 O ATOM 916 OE2 GLU A 108 -3.203 -7.184 23.600 1.00 44.62 O ATOM 917 H GLU A 108 -4.104 -5.610 18.904 1.00 0.00 H ATOM 918 N ASN A 109 -6.203 -3.028 18.869 1.00 23.90 N ATOM 919 CA ASN A 109 -6.766 -1.701 18.656 1.00 22.47 C ATOM 920 C ASN A 109 -7.545 -1.602 17.352 1.00 23.55 C ATOM 921 O ASN A 109 -7.874 -0.495 16.909 1.00 20.49 O ATOM 922 CB ASN A 109 -5.655 -0.653 18.724 1.00 20.49 C ATOM 923 CG ASN A 109 -5.144 -0.475 20.135 1.00 23.10 C ATOM 924 OD1 ASN A 109 -5.865 0.020 20.996 1.00 22.34 O ATOM 925 ND2 ASN A 109 -3.909 -0.900 20.389 1.00 26.22 N ATOM 926 HD22 ASN A 109 -3.334 -1.313 19.627 1.00 0.00 H ATOM 927 HD21 ASN A 109 -3.518 -0.819 21.349 1.00 0.00 H ATOM 928 H ASN A 109 -5.492 -3.387 18.200 1.00 0.00 H ATOM 929 N LEU A 110 -7.871 -2.748 16.745 1.00 21.78 N ATOM 930 CA LEU A 110 -8.756 -2.754 15.586 1.00 21.34 C ATOM 931 C LEU A 110 -10.089 -2.088 15.899 1.00 24.11 C ATOM 932 O LEU A 110 -10.718 -1.501 15.008 1.00 22.54 O ATOM 933 CB LEU A 110 -8.987 -4.191 15.114 1.00 20.96 C ATOM 934 CG LEU A 110 -7.883 -4.795 14.248 1.00 24.39 C ATOM 935 CD1 LEU A 110 -8.118 -6.275 13.999 1.00 26.51 C ATOM 936 CD2 LEU A 110 -7.831 -4.035 12.938 1.00 27.61 C ATOM 937 H LEU A 110 -7.489 -3.646 17.104 1.00 0.00 H ATOM 938 N GLY A 111 -10.525 -2.162 17.155 1.00 24.46 N ATOM 939 CA GLY A 111 -11.799 -1.585 17.555 1.00 24.37 C ATOM 940 C GLY A 111 -11.894 -0.079 17.395 1.00 26.05 C ATOM 941 O GLY A 111 -13.004 0.447 17.276 1.00 28.21 O ATOM 942 H GLY A 111 -9.940 -2.644 17.867 1.00 0.00 H ATOM 943 N THR A 112 -10.768 0.637 17.412 1.00 18.67 N ATOM 944 CA THR A 112 -10.796 2.077 17.162 1.00 21.79 C ATOM 945 C THR A 112 -10.092 2.464 15.870 1.00 24.19 C ATOM 946 O THR A 112 -9.922 3.662 15.609 1.00 25.40 O ATOM 947 CB THR A 112 -10.183 2.865 18.324 1.00 27.21 C ATOM 948 OG1 THR A 112 -8.825 2.451 18.525 1.00 24.68 O ATOM 949 CG2 THR A 112 -11.010 2.681 19.612 1.00 29.78 C ATOM 950 HG1 THR A 112 -8.304 2.622 17.701 1.00 0.00 H ATOM 951 H THR A 112 -9.861 0.166 17.605 1.00 0.00 H ATOM 952 N TYR A 113 -9.671 1.487 15.066 1.00 21.65 N ATOM 953 CA TYR A 113 -9.084 1.782 13.764 1.00 22.92 C ATOM 954 C TYR A 113 -10.043 2.640 12.949 1.00 27.44 C ATOM 955 O TYR A 113 -11.240 2.351 12.872 1.00 24.60 O ATOM 956 CB TYR A 113 -8.776 0.477 13.028 1.00 18.80 C ATOM 957 CG TYR A 113 -8.077 0.634 11.695 1.00 24.91 C ATOM 958 CD1 TYR A 113 -8.797 0.901 10.533 1.00 25.91 C ATOM 959 CD2 TYR A 113 -6.699 0.481 11.594 1.00 22.66 C ATOM 960 CE1 TYR A 113 -8.157 1.035 9.304 1.00 25.44 C ATOM 961 CE2 TYR A 113 -6.050 0.616 10.367 1.00 23.59 C ATOM 962 CZ TYR A 113 -6.786 0.892 9.232 1.00 23.21 C ATOM 963 OH TYR A 113 -6.152 1.026 8.017 1.00 22.60 O ATOM 964 HH TYR A 113 -5.679 0.184 7.798 1.00 0.00 H ATOM 965 H TYR A 113 -9.763 0.498 15.373 1.00 0.00 H ATOM 966 N ASN A 114 -9.522 3.705 12.341 1.00 20.97 N ATOM 967 CA ASN A 114 -10.352 4.623 11.569 1.00 24.91 C ATOM 968 C ASN A 114 -9.710 4.842 10.210 1.00 23.09 C ATOM 969 O ASN A 114 -8.608 5.394 10.126 1.00 20.92 O ATOM 970 CB ASN A 114 -10.544 5.952 12.308 1.00 25.78 C ATOM 971 CG ASN A 114 -11.578 6.846 11.647 1.00 27.50 C ATOM 972 OD1 ASN A 114 -11.799 6.775 10.441 1.00 29.16 O ATOM 973 ND2 ASN A 114 -12.216 7.695 12.439 1.00 32.98 N ATOM 974 HD22 ASN A 114 -11.998 7.722 13.455 1.00 0.00 H ATOM 975 HD21 ASN A 114 -12.935 8.334 12.044 1.00 0.00 H ATOM 976 H ASN A 114 -8.501 3.886 12.419 1.00 0.00 H ATOM 977 N LYS A 115 -10.414 4.442 9.165 1.00 24.38 N ATOM 978 CA LYS A 115 -9.933 4.578 7.803 1.00 30.23 C ATOM 979 C LYS A 115 -9.577 6.007 7.414 1.00 27.23 C ATOM 980 O LYS A 115 -8.805 6.218 6.506 1.00 26.48 O ATOM 981 CB LYS A 115 -10.959 4.022 6.827 1.00 35.23 C ATOM 982 CG LYS A 115 -11.105 2.522 6.892 1.00 35.58 C ATOM 983 CD LYS A 115 -12.120 2.018 5.891 1.00 46.23 C ATOM 984 CE LYS A 115 -12.596 0.635 6.279 1.00 55.70 C ATOM 985 NZ LYS A 115 -11.592 -0.424 5.995 1.00 58.33 N ATOM 986 HZ1 LYS A 115 -11.381 -0.435 4.977 1.00 0.00 H ATOM 987 HZ2 LYS A 115 -10.722 -0.227 6.529 1.00 0.00 H ATOM 988 HZ3 LYS A 115 -11.974 -1.348 6.281 1.00 0.00 H ATOM 989 H LYS A 115 -11.348 4.014 9.325 1.00 0.00 H ATOM 990 N LYS A 116 -10.121 6.985 8.116 1.00 28.68 N ATOM 991 CA LYS A 116 -9.826 8.370 7.768 1.00 37.81 C ATOM 992 C LYS A 116 -8.354 8.710 7.964 1.00 32.38 C ATOM 993 O LYS A 116 -7.883 9.705 7.404 1.00 31.20 O ATOM 994 CB LYS A 116 -10.695 9.329 8.588 1.00 37.98 C ATOM 995 CG LYS A 116 -10.204 9.594 10.008 1.00 35.98 C ATOM 996 CD LYS A 116 -11.199 10.484 10.760 1.00 41.73 C ATOM 997 CE LYS A 116 -10.783 10.704 12.204 1.00 45.43 C ATOM 998 NZ LYS A 116 -11.691 11.661 12.898 1.00 51.64 N ATOM 999 HZ1 LYS A 116 -11.668 12.577 12.406 1.00 0.00 H ATOM 1000 HZ2 LYS A 116 -12.661 11.285 12.889 1.00 0.00 H ATOM 1001 HZ3 LYS A 116 -11.375 11.786 13.881 1.00 0.00 H ATOM 1002 H LYS A 116 -10.755 6.769 8.911 1.00 0.00 H ATOM 1003 N TYR A 117 -7.621 7.915 8.740 1.00 24.53 N ATOM 1004 CA TYR A 117 -6.200 8.147 8.955 1.00 29.95 C ATOM 1005 C TYR A 117 -5.323 7.465 7.917 1.00 27.46 C ATOM 1006 O TYR A 117 -4.100 7.646 7.949 1.00 25.78 O ATOM 1007 CB TYR A 117 -5.801 7.692 10.363 1.00 26.45 C ATOM 1008 CG TYR A 117 -6.421 8.558 11.433 1.00 25.05 C ATOM 1009 CD1 TYR A 117 -6.313 9.942 11.375 1.00 27.30 C ATOM 1010 CD2 TYR A 117 -7.135 7.998 12.482 1.00 27.36 C ATOM 1011 CE1 TYR A 117 -6.890 10.747 12.336 1.00 35.50 C ATOM 1012 CE2 TYR A 117 -7.713 8.794 13.453 1.00 31.53 C ATOM 1013 CZ TYR A 117 -7.589 10.165 13.375 1.00 37.97 C ATOM 1014 OH TYR A 117 -8.163 10.961 14.339 1.00 38.94 O ATOM 1015 HH TYR A 117 -7.979 11.912 14.133 1.00 0.00 H ATOM 1016 H TYR A 117 -8.077 7.105 9.206 1.00 0.00 H ATOM 1017 N ARG A 118 -5.909 6.691 7.004 1.00 25.21 N ATOM 1018 CA ARG A 118 -5.143 6.167 5.879 1.00 25.24 C ATOM 1019 C ARG A 118 -4.651 7.309 4.998 1.00 25.08 C ATOM 1020 O ARG A 118 -5.411 8.218 4.659 1.00 28.64 O ATOM 1021 CB ARG A 118 -5.992 5.194 5.059 1.00 29.72 C ATOM 1022 CG ARG A 118 -6.204 3.842 5.745 1.00 25.42 C ATOM 1023 CD ARG A 118 -7.187 2.988 4.969 1.00 26.02 C ATOM 1024 NE ARG A 118 -7.338 1.662 5.551 1.00 25.94 N ATOM 1025 CZ ARG A 118 -8.172 0.739 5.088 1.00 30.05 C ATOM 1026 NH1 ARG A 118 -8.242 -0.448 5.677 1.00 30.84 N ATOM 1027 NH2 ARG A 118 -8.935 1.002 4.035 1.00 29.50 N ATOM 1028 HE ARG A 118 -6.757 1.423 6.380 1.00 0.00 H ATOM 1029 HH12 ARG A 118 -8.896 -1.171 5.314 1.00 0.00 H ATOM 1030 HH11 ARG A 118 -7.643 -0.655 6.502 1.00 0.00 H ATOM 1031 HH22 ARG A 118 -9.588 0.279 3.673 1.00 0.00 H ATOM 1032 HH21 ARG A 118 -8.880 1.932 3.572 1.00 0.00 H ATOM 1033 H ARG A 118 -6.919 6.459 7.094 1.00 0.00 H ATOM 1034 N TYR A 119 -3.366 7.261 4.644 1.00 25.28 N ATOM 1035 CA TYR A 119 -2.732 8.273 3.797 1.00 26.58 C ATOM 1036 C TYR A 119 -2.842 9.665 4.412 1.00 31.37 C ATOM 1037 O TYR A 119 -3.016 10.667 3.715 1.00 29.29 O ATOM 1038 CB TYR A 119 -3.306 8.232 2.380 1.00 28.49 C ATOM 1039 CG TYR A 119 -3.200 6.844 1.810 1.00 30.06 C ATOM 1040 CD1 TYR A 119 -1.957 6.301 1.501 1.00 28.53 C ATOM 1041 CD2 TYR A 119 -4.330 6.058 1.614 1.00 29.28 C ATOM 1042 CE1 TYR A 119 -1.842 5.025 0.995 1.00 26.23 C ATOM 1043 CE2 TYR A 119 -4.223 4.771 1.103 1.00 32.47 C ATOM 1044 CZ TYR A 119 -2.973 4.263 0.798 1.00 29.44 C ATOM 1045 OH TYR A 119 -2.849 2.990 0.293 1.00 31.68 O ATOM 1046 HH TYR A 119 -1.892 2.791 0.133 1.00 0.00 H ATOM 1047 H TYR A 119 -2.787 6.467 4.986 1.00 0.00 H ATOM 1048 N HIS A 120 -2.736 9.714 5.738 1.00 30.01 N ATOM 1049 CA HIS A 120 -2.638 10.971 6.468 1.00 33.02 C ATOM 1050 C HIS A 120 -1.429 11.765 5.982 1.00 30.70 C ATOM 1051 O HIS A 120 -0.336 11.214 5.830 1.00 35.63 O ATOM 1052 CB HIS A 120 -2.521 10.663 7.962 1.00 28.55 C ATOM 1053 CG HIS A 120 -2.649 11.859 8.847 1.00 30.22 C ATOM 1054 ND1 HIS A 120 -3.869 12.395 9.199 1.00 40.10 N ATOM 1055 CD2 HIS A 120 -1.712 12.613 9.466 1.00 38.51 C ATOM 1056 CE1 HIS A 120 -3.678 13.435 9.992 1.00 38.30 C ATOM 1057 NE2 HIS A 120 -2.378 13.588 10.171 1.00 37.11 N ATOM 1058 H HIS A 120 -2.723 8.822 6.273 1.00 0.00 H ATOM 1059 N LEU A 121 -1.626 13.060 5.724 1.00 32.61 N ATOM 1060 CA LEU A 121 -0.557 13.892 5.186 1.00 39.48 C ATOM 1061 C LEU A 121 0.398 14.317 6.294 1.00 37.21 C ATOM 1062 O LEU A 121 -0.030 14.788 7.352 1.00 35.88 O ATOM 1063 CB LEU A 121 -1.126 15.127 4.484 1.00 40.95 C ATOM 1064 CG LEU A 121 -1.888 14.891 3.181 1.00 49.65 C ATOM 1065 CD1 LEU A 121 -2.329 16.220 2.575 1.00 56.69 C ATOM 1066 CD2 LEU A 121 -1.038 14.100 2.198 1.00 52.05 C ATOM 1067 H LEU A 121 -2.558 13.482 5.910 1.00 0.00 H ATOM 1068 N LYS A 122 1.686 14.201 6.026 1.00 42.96 N ATOM 1069 CA LYS A 122 2.707 14.563 6.992 1.00 50.83 C ATOM 1070 C LYS A 122 2.587 15.983 7.577 1.00 52.00 C ATOM 1071 O LYS A 122 2.815 16.169 8.764 1.00 57.24 O ATOM 1072 CB LYS A 122 4.091 14.341 6.401 1.00 57.01 C ATOM 1073 CG LYS A 122 5.218 14.777 7.308 1.00 64.54 C ATOM 1074 CD LYS A 122 5.350 13.869 8.512 1.00 63.94 C ATOM 1075 CE LYS A 122 6.758 13.914 9.074 1.00 65.11 C ATOM 1076 NZ LYS A 122 7.790 13.612 8.049 1.00 62.77 N ATOM 1077 HZ1 LYS A 122 7.628 12.659 7.666 1.00 0.00 H ATOM 1078 HZ2 LYS A 122 7.729 14.311 7.281 1.00 0.00 H ATOM 1079 HZ3 LYS A 122 8.733 13.656 8.485 1.00 0.00 H ATOM 1080 H LYS A 122 1.977 13.840 5.095 1.00 0.00 H ATOM 1081 N PRO A 123 2.248 16.988 6.752 1.00 48.50 N ATOM 1082 CA PRO A 123 2.126 18.333 7.344 1.00 50.10 C ATOM 1083 C PRO A 123 1.124 18.420 8.481 1.00 51.43 C ATOM 1084 O PRO A 123 1.263 19.293 9.346 1.00 58.44 O ATOM 1085 CB PRO A 123 1.704 19.201 6.151 1.00 57.05 C ATOM 1086 CG PRO A 123 2.284 18.509 4.976 1.00 53.46 C ATOM 1087 CD PRO A 123 2.152 17.043 5.279 1.00 52.43 C ATOM 1088 N PHE A 125 0.120 17.545 8.514 1.00 49.07 N ATOM 1089 CA PHE A 125 -0.827 17.524 9.621 1.00 49.23 C ATOM 1090 C PHE A 125 -0.266 16.858 10.872 1.00 53.92 C ATOM 1091 O PHE A 125 -0.955 16.830 11.898 1.00 61.12 O ATOM 1092 CB PHE A 125 -2.120 16.814 9.203 1.00 44.44 C ATOM 1093 CG PHE A 125 -2.895 17.529 8.127 1.00 47.22 C ATOM 1094 CD1 PHE A 125 -3.673 18.633 8.429 1.00 51.45 C ATOM 1095 CD2 PHE A 125 -2.859 17.083 6.814 1.00 50.10 C ATOM 1096 CE1 PHE A 125 -4.393 19.288 7.439 1.00 54.25 C ATOM 1097 CE2 PHE A 125 -3.577 17.733 5.820 1.00 51.36 C ATOM 1098 CZ PHE A 125 -4.344 18.834 6.134 1.00 49.10 C ATOM 1099 H PHE A 125 0.010 16.864 7.735 1.00 0.00 H ATOM 1100 N CYS A 126 0.955 16.328 10.819 1.00 40.69 N ATOM 1101 CA CYS A 126 1.541 15.626 11.952 1.00 36.15 C ATOM 1102 C CYS A 126 2.347 16.576 12.825 1.00 37.91 C ATOM 1103 O CYS A 126 3.114 17.404 12.325 1.00 40.64 O ATOM 1104 CB CYS A 126 2.436 14.478 11.479 1.00 36.48 C ATOM 1105 SG CYS A 126 1.517 13.108 10.785 1.00 38.61 S ATOM 1106 H CYS A 126 1.506 16.418 9.942 1.00 0.00 H ATOM 1107 N LYS A 127 2.163 16.450 14.133 1.00 38.03 N ATOM 1108 CA LYS A 127 2.867 16.995 14.934 1.00 36.81 C ATOM 1109 C LYS A 127 4.199 16.391 15.356 1.00 32.85 C ATOM 1110 O LYS A 127 4.379 15.191 15.259 1.00 31.15 O ATOM 1111 CB LYS A 127 2.100 17.416 16.175 1.00 38.53 C ATOM 1112 CG LYS A 127 1.285 18.675 16.007 1.00 42.01 C ATOM 1113 CD LYS A 127 -0.193 18.390 16.169 1.00 48.91 C ATOM 1114 H LYS A 127 1.380 15.857 14.475 1.00 0.00 H ATOM 1115 N LYS A 129 5.252 17.080 15.899 1.00 31.37 N ATOM 1116 CA LYS A 129 6.522 16.437 16.213 1.00 37.81 C ATOM 1117 C LYS A 129 6.336 15.395 17.309 1.00 32.29 C ATOM 1118 O LYS A 129 5.620 15.623 18.288 1.00 38.44 O ATOM 1119 CB LYS A 129 7.547 17.489 16.647 1.00 47.01 C ATOM 1120 CG LYS A 129 8.967 16.960 16.817 1.00 54.74 C ATOM 1121 CD LYS A 129 9.954 18.094 17.087 1.00 58.59 C ATOM 1122 CE LYS A 129 9.649 18.831 18.392 1.00 60.28 C ATOM 1123 NZ LYS A 129 10.199 18.150 19.605 1.00 59.41 N ATOM 1124 HZ1 LYS A 129 9.789 17.197 19.682 1.00 0.00 H ATOM 1125 HZ2 LYS A 129 11.233 18.078 19.522 1.00 0.00 H ATOM 1126 HZ3 LYS A 129 9.956 18.703 20.452 1.00 0.00 H ATOM 1127 H LYS A 129 5.141 18.096 16.094 1.00 0.00 H ATOM 1128 N ALA A 130 6.984 14.245 17.140 1.00 28.61 N ATOM 1129 CA ALA A 130 6.862 13.162 18.106 1.00 31.14 C ATOM 1130 C ALA A 130 7.660 13.459 19.371 1.00 30.68 C ATOM 1131 O ALA A 130 8.670 14.165 19.346 1.00 32.13 O ATOM 1132 CB ALA A 130 7.337 11.840 17.501 1.00 31.77 C ATOM 1133 H ALA A 130 7.588 14.117 16.303 1.00 0.00 H ATOM 1134 N ASP A 131 7.191 12.908 20.486 1.00 36.59 N ATOM 1135 CA ASP A 131 7.957 12.970 21.717 1.00 39.70 C ATOM 1136 C ASP A 131 9.191 12.075 21.606 1.00 37.00 C ATOM 1137 O ASP A 131 9.200 11.112 20.834 1.00 38.35 O ATOM 1138 CB ASP A 131 7.103 12.536 22.906 1.00 45.99 C ATOM 1139 CG ASP A 131 5.960 13.496 23.182 1.00 57.52 C ATOM 1140 OD1 ASP A 131 6.233 14.676 23.489 1.00 64.12 O ATOM 1141 OD2 ASP A 131 4.791 13.076 23.077 1.00 62.56 O ATOM 1142 H ASP A 131 6.268 12.429 20.476 1.00 0.00 H ATOM 1143 N PRO A 132 10.248 12.373 22.360 1.00 34.55 N ATOM 1144 CA PRO A 132 11.448 11.531 22.296 1.00 41.35 C ATOM 1145 C PRO A 132 11.154 10.127 22.800 1.00 47.23 C ATOM 1146 O PRO A 132 10.327 9.927 23.691 1.00 44.37 O ATOM 1147 CB PRO A 132 12.444 12.258 23.205 1.00 46.36 C ATOM 1148 CG PRO A 132 11.601 13.090 24.106 1.00 42.14 C ATOM 1149 CD PRO A 132 10.412 13.498 23.297 1.00 36.17 C ATOM 1150 N CYS A 133 11.831 9.148 22.208 1.00 46.93 N ATOM 1151 CA CYS A 133 11.605 7.757 22.584 1.00 50.08 C ATOM 1152 C CYS A 133 12.114 7.506 23.998 1.00 64.16 C ATOM 1153 O CYS A 133 13.120 8.079 24.418 1.00 68.96 O ATOM 1154 CB CYS A 133 12.284 6.804 21.598 1.00 50.13 C ATOM 1155 SG CYS A 133 11.579 6.805 19.931 1.00 51.93 S ATOM 1156 OXT CYS A 133 11.526 6.732 24.753 1.00 69.73 O ATOM 1157 H CYS A 133 12.528 9.376 21.470 1.00 0.00 H TER 1158 CYS A 133 ATOM 1159 N SER B 1 15.969 11.747 -0.732 1.00 37.16 N ATOM 1160 CA SER B 1 15.130 11.124 0.285 1.00 36.04 C ATOM 1161 C SER B 1 13.725 10.878 -0.258 1.00 37.29 C ATOM 1162 O SER B 1 13.398 11.305 -1.363 1.00 35.66 O ATOM 1163 CB SER B 1 15.060 11.996 1.538 1.00 34.39 C ATOM 1164 OG SER B 1 14.228 13.124 1.329 1.00 41.79 O ATOM 1165 HG SER B 1 14.591 13.667 0.585 1.00 0.00 H ATOM 1166 HN3 SER B 1 15.551 12.657 -1.015 1.00 0.00 H ATOM 1167 HN2 SER B 1 16.031 11.121 -1.560 1.00 0.00 H ATOM 1168 HN1 SER B 1 16.921 11.907 -0.344 1.00 0.00 H ATOM 1169 N LEU B 2 12.892 10.195 0.532 1.00 42.12 N ATOM 1170 CA LEU B 2 11.520 9.935 0.107 1.00 38.73 C ATOM 1171 C LEU B 2 10.754 11.225 -0.161 1.00 35.74 C ATOM 1172 O LEU B 2 9.845 11.242 -0.999 1.00 35.45 O ATOM 1173 CB LEU B 2 10.789 9.101 1.163 1.00 41.68 C ATOM 1174 CG LEU B 2 11.223 7.644 1.324 1.00 41.92 C ATOM 1175 CD1 LEU B 2 10.374 6.958 2.383 1.00 47.94 C ATOM 1176 CD2 LEU B 2 11.132 6.904 -0.004 1.00 44.62 C ATOM 1177 H LEU B 2 13.223 9.847 1.454 1.00 0.00 H ATOM 1178 N PHE B 3 11.099 12.310 0.538 1.00 32.76 N ATOM 1179 CA PHE B 3 10.423 13.584 0.314 1.00 32.65 C ATOM 1180 C PHE B 3 10.598 14.055 -1.125 1.00 30.56 C ATOM 1181 O PHE B 3 9.627 14.441 -1.786 1.00 31.84 O ATOM 1182 CB PHE B 3 10.948 14.642 1.284 1.00 41.76 C ATOM 1183 CG PHE B 3 10.364 16.008 1.059 1.00 64.12 C ATOM 1184 CD1 PHE B 3 9.128 16.344 1.591 1.00 75.09 C ATOM 1185 CD2 PHE B 3 11.048 16.958 0.313 1.00 70.54 C ATOM 1186 CE1 PHE B 3 8.584 17.602 1.384 1.00 78.66 C ATOM 1187 CE2 PHE B 3 10.509 18.217 0.103 1.00 74.71 C ATOM 1188 CZ PHE B 3 9.276 18.540 0.639 1.00 76.86 C ATOM 1189 H PHE B 3 11.856 12.246 1.248 1.00 0.00 H ATOM 1190 N GLU B 4 11.836 14.054 -1.620 1.00 32.84 N ATOM 1191 CA GLU B 4 12.068 14.452 -3.004 1.00 31.87 C ATOM 1192 C GLU B 4 11.436 13.458 -3.973 1.00 33.37 C ATOM 1193 O GLU B 4 10.773 13.855 -4.940 1.00 26.92 O ATOM 1194 CB GLU B 4 13.566 14.590 -3.276 1.00 32.21 C ATOM 1195 CG GLU B 4 14.222 15.785 -2.600 1.00 32.88 C ATOM 1196 CD GLU B 4 14.527 15.532 -1.135 1.00 41.66 C ATOM 1197 OE1 GLU B 4 14.687 14.353 -0.756 1.00 42.44 O ATOM 1198 OE2 GLU B 4 14.601 16.509 -0.365 1.00 45.41 O ATOM 1199 H GLU B 4 12.636 13.770 -1.019 1.00 0.00 H ATOM 1200 N LEU B 5 11.626 12.159 -3.726 1.00 32.37 N ATOM 1201 CA LEU B 5 11.070 11.149 -4.624 1.00 27.08 C ATOM 1202 C LEU B 5 9.550 11.251 -4.696 1.00 26.67 C ATOM 1203 O LEU B 5 8.967 11.193 -5.784 1.00 25.41 O ATOM 1204 CB LEU B 5 11.495 9.751 -4.170 1.00 25.75 C ATOM 1205 CG LEU B 5 10.820 8.572 -4.884 1.00 25.86 C ATOM 1206 CD1 LEU B 5 11.205 8.538 -6.354 1.00 19.61 C ATOM 1207 CD2 LEU B 5 11.157 7.253 -4.211 1.00 25.06 C ATOM 1208 H LEU B 5 12.172 11.865 -2.891 1.00 0.00 H ATOM 1209 N GLY B 6 8.891 11.406 -3.546 1.00 27.61 N ATOM 1210 CA GLY B 6 7.445 11.555 -3.551 1.00 30.55 C ATOM 1211 C GLY B 6 6.985 12.782 -4.317 1.00 29.19 C ATOM 1212 O GLY B 6 5.996 12.731 -5.054 1.00 27.19 O ATOM 1213 H GLY B 6 9.412 11.420 -2.646 1.00 0.00 H ATOM 1214 N LYS B 7 7.700 13.899 -4.165 1.00 28.80 N ATOM 1215 CA LYS B 7 7.321 15.111 -4.885 1.00 30.47 C ATOM 1216 C LYS B 7 7.502 14.943 -6.391 1.00 30.36 C ATOM 1217 O LYS B 7 6.661 15.401 -7.173 1.00 29.14 O ATOM 1218 CB LYS B 7 8.129 16.304 -4.375 1.00 32.94 C ATOM 1219 CG LYS B 7 7.649 17.639 -4.907 1.00 37.36 C ATOM 1220 CD LYS B 7 7.946 18.761 -3.925 1.00 47.93 C ATOM 1221 CE LYS B 7 9.415 18.792 -3.551 1.00 54.14 C ATOM 1222 NZ LYS B 7 9.707 19.870 -2.569 1.00 65.37 N ATOM 1223 HZ1 LYS B 7 9.453 20.791 -2.981 1.00 0.00 H ATOM 1224 HZ2 LYS B 7 9.151 19.710 -1.705 1.00 0.00 H ATOM 1225 HZ3 LYS B 7 10.721 19.861 -2.337 1.00 0.00 H ATOM 1226 H LYS B 7 8.527 13.906 -3.534 1.00 0.00 H ATOM 1227 N MET B 8 8.596 14.299 -6.816 1.00 24.36 N ATOM 1228 CA MET B 8 8.799 14.027 -8.238 1.00 23.48 C ATOM 1229 C MET B 8 7.659 13.192 -8.809 1.00 26.36 C ATOM 1230 O MET B 8 7.149 13.473 -9.902 1.00 23.78 O ATOM 1231 CB MET B 8 10.126 13.297 -8.454 1.00 20.35 C ATOM 1232 CG MET B 8 11.378 14.121 -8.198 1.00 23.95 C ATOM 1233 SD MET B 8 12.812 13.152 -8.716 1.00 25.49 S ATOM 1234 CE MET B 8 14.167 14.241 -8.260 1.00 26.12 C ATOM 1235 H MET B 8 9.310 13.989 -6.126 1.00 0.00 H ATOM 1236 N ILE B 9 7.265 12.140 -8.093 1.00 21.97 N ATOM 1237 CA ILE B 9 6.200 11.272 -8.589 1.00 18.79 C ATOM 1238 C ILE B 9 4.895 12.047 -8.701 1.00 21.92 C ATOM 1239 O ILE B 9 4.150 11.896 -9.677 1.00 24.60 O ATOM 1240 CB ILE B 9 6.062 10.029 -7.693 1.00 25.03 C ATOM 1241 CG1 ILE B 9 7.327 9.167 -7.792 1.00 22.67 C ATOM 1242 CG2 ILE B 9 4.831 9.225 -8.092 1.00 27.41 C ATOM 1243 CD1 ILE B 9 7.398 8.045 -6.766 1.00 24.99 C ATOM 1244 H ILE B 9 7.717 11.936 -7.179 1.00 0.00 H ATOM 1245 N LEU B 10 4.602 12.900 -7.713 1.00 25.11 N ATOM 1246 CA LEU B 10 3.429 13.763 -7.804 1.00 28.07 C ATOM 1247 C LEU B 10 3.512 14.696 -9.005 1.00 26.89 C ATOM 1248 O LEU B 10 2.529 14.868 -9.736 1.00 26.52 O ATOM 1249 CB LEU B 10 3.267 14.575 -6.514 1.00 31.86 C ATOM 1250 CG LEU B 10 2.125 15.596 -6.480 1.00 36.04 C ATOM 1251 CD1 LEU B 10 0.771 14.908 -6.617 1.00 36.34 C ATOM 1252 CD2 LEU B 10 2.173 16.447 -5.211 1.00 37.94 C ATOM 1253 H LEU B 10 5.215 12.948 -6.874 1.00 0.00 H ATOM 1254 N GLN B 11 4.673 15.321 -9.218 1.00 25.36 N ATOM 1255 CA GLN B 11 4.781 16.318 -10.276 1.00 32.49 C ATOM 1256 C GLN B 11 4.655 15.680 -11.656 1.00 28.81 C ATOM 1257 O GLN B 11 4.072 16.281 -12.566 1.00 26.93 O ATOM 1258 CB GLN B 11 6.099 17.083 -10.143 1.00 26.52 C ATOM 1259 CG GLN B 11 6.124 18.068 -8.985 1.00 34.16 C ATOM 1260 CD GLN B 11 7.477 18.726 -8.813 1.00 35.54 C ATOM 1261 OE1 GLN B 11 8.501 18.049 -8.754 1.00 44.42 O ATOM 1262 NE2 GLN B 11 7.489 20.053 -8.745 1.00 35.22 N ATOM 1263 HE22 GLN B 11 6.597 20.585 -8.799 1.00 0.00 H ATOM 1264 HE21 GLN B 11 8.391 20.560 -8.637 1.00 0.00 H ATOM 1265 H GLN B 11 5.500 15.096 -8.629 1.00 0.00 H ATOM 1266 N GLU B 12 5.182 14.462 -11.825 1.00 25.05 N ATOM 1267 CA GLU B 12 5.113 13.768 -13.110 1.00 24.53 C ATOM 1268 C GLU B 12 3.759 13.094 -13.317 1.00 28.95 C ATOM 1269 O GLU B 12 3.123 13.274 -14.361 1.00 27.83 O ATOM 1270 CB GLU B 12 6.239 12.730 -13.218 1.00 24.05 C ATOM 1271 CG GLU B 12 7.632 13.286 -13.479 1.00 22.05 C ATOM 1272 CD GLU B 12 7.834 13.748 -14.914 1.00 29.80 C ATOM 1273 OE1 GLU B 12 7.181 13.189 -15.825 1.00 31.07 O ATOM 1274 OE2 GLU B 12 8.651 14.673 -15.129 1.00 29.10 O ATOM 1275 H GLU B 12 5.652 13.997 -11.022 1.00 0.00 H ATOM 1276 N THR B 13 3.309 12.298 -12.340 1.00 27.30 N ATOM 1277 CA THR B 13 2.118 11.473 -12.517 1.00 29.37 C ATOM 1278 C THR B 13 0.824 12.173 -12.133 1.00 31.49 C ATOM 1279 O THR B 13 -0.243 11.772 -12.613 1.00 31.43 O ATOM 1280 CB THR B 13 2.208 10.189 -11.684 1.00 28.91 C ATOM 1281 OG1 THR B 13 2.135 10.520 -10.288 1.00 28.85 O ATOM 1282 CG2 THR B 13 3.493 9.434 -11.972 1.00 29.61 C ATOM 1283 HG1 THR B 13 2.886 11.121 -10.053 1.00 0.00 H ATOM 1284 H THR B 13 3.819 12.266 -11.434 1.00 0.00 H ATOM 1285 N GLY B 15 0.880 13.178 -11.262 1.00 30.30 N ATOM 1286 CA GLY B 15 -0.328 13.751 -10.714 1.00 30.61 C ATOM 1287 C GLY B 15 -1.005 12.919 -9.648 1.00 35.07 C ATOM 1288 O GLY B 15 -2.051 13.337 -9.133 1.00 29.98 O ATOM 1289 H GLY B 15 1.805 13.556 -10.972 1.00 0.00 H ATOM 1290 N LYS B 16 -0.420 11.790 -9.288 1.00 33.49 N ATOM 1291 CA LYS B 16 -1.017 10.924 -8.294 1.00 36.46 C ATOM 1292 C LYS B 16 -0.377 10.973 -6.929 1.00 34.66 C ATOM 1293 O LYS B 16 0.801 11.228 -6.789 1.00 28.14 O ATOM 1294 CB LYS B 16 -0.944 9.470 -8.765 1.00 33.28 C ATOM 1295 CG LYS B 16 -1.473 9.223 -10.161 1.00 30.87 C ATOM 1296 CD LYS B 16 -2.951 8.923 -10.126 1.00 37.11 C ATOM 1297 CE LYS B 16 -3.577 9.018 -11.499 1.00 44.72 C ATOM 1298 NZ LYS B 16 -4.922 8.401 -11.518 1.00 45.33 N ATOM 1299 HZ1 LYS B 16 -4.845 7.397 -11.256 1.00 0.00 H ATOM 1300 HZ2 LYS B 16 -5.537 8.892 -10.838 1.00 0.00 H ATOM 1301 HZ3 LYS B 16 -5.326 8.482 -12.473 1.00 0.00 H ATOM 1302 H LYS B 16 0.484 11.520 -9.726 1.00 0.00 H ATOM 1303 N ASN B 17 -1.196 10.760 -5.911 1.00 31.57 N ATOM 1304 CA ASN B 17 -0.674 10.608 -4.560 1.00 32.47 C ATOM 1305 C ASN B 17 0.326 9.460 -4.582 1.00 34.70 C ATOM 1306 O ASN B 17 -0.065 8.309 -4.816 1.00 29.10 O ATOM 1307 CB ASN B 17 -1.817 10.338 -3.571 1.00 33.83 C ATOM 1308 CG ASN B 17 -1.344 10.208 -2.129 1.00 32.49 C ATOM 1309 OD1 ASN B 17 -0.310 9.606 -1.845 1.00 33.88 O ATOM 1310 ND2 ASN B 17 -2.122 10.763 -1.205 1.00 39.01 N ATOM 1311 HD22 ASN B 17 -2.989 11.264 -1.487 1.00 0.00 H ATOM 1312 HD21 ASN B 17 -1.864 10.697 -0.200 1.00 0.00 H ATOM 1313 H ASN B 17 -2.221 10.701 -6.077 1.00 0.00 H ATOM 1314 N PRO B 18 1.617 9.726 -4.355 1.00 35.38 N ATOM 1315 CA PRO B 18 2.614 8.651 -4.496 1.00 33.08 C ATOM 1316 C PRO B 18 2.471 7.544 -3.464 1.00 30.96 C ATOM 1317 O PRO B 18 2.779 6.387 -3.776 1.00 29.40 O ATOM 1318 CB PRO B 18 3.955 9.387 -4.355 1.00 32.51 C ATOM 1319 CG PRO B 18 3.628 10.656 -3.639 1.00 38.41 C ATOM 1320 CD PRO B 18 2.236 11.028 -4.049 1.00 38.33 C ATOM 1321 N ALA B 19 2.018 7.857 -2.248 1.00 29.25 N ATOM 1322 CA ALA B 19 1.800 6.809 -1.256 1.00 28.35 C ATOM 1323 C ALA B 19 0.649 5.897 -1.667 1.00 32.73 C ATOM 1324 O ALA B 19 0.767 4.667 -1.602 1.00 30.73 O ATOM 1325 CB ALA B 19 1.536 7.429 0.114 1.00 31.64 C ATOM 1326 H ALA B 19 1.820 8.849 -2.007 1.00 0.00 H ATOM 1327 N LYS B 20 -0.470 6.487 -2.107 1.00 29.00 N ATOM 1328 CA LYS B 20 -1.646 5.695 -2.468 1.00 30.82 C ATOM 1329 C LYS B 20 -1.393 4.834 -3.700 1.00 29.00 C ATOM 1330 O LYS B 20 -1.830 3.680 -3.760 1.00 27.32 O ATOM 1331 CB LYS B 20 -2.848 6.607 -2.724 1.00 31.81 C ATOM 1332 CG LYS B 20 -3.311 7.443 -1.551 1.00 44.53 C ATOM 1333 CD LYS B 20 -4.541 8.263 -1.934 1.00 46.59 C ATOM 1334 CE LYS B 20 -5.017 9.128 -0.778 1.00 53.99 C ATOM 1335 NZ LYS B 20 -6.343 9.755 -1.048 1.00 57.58 N ATOM 1336 HZ1 LYS B 20 -6.275 10.356 -1.894 1.00 0.00 H ATOM 1337 HZ2 LYS B 20 -7.051 9.010 -1.206 1.00 0.00 H ATOM 1338 HZ3 LYS B 20 -6.624 10.334 -0.231 1.00 0.00 H ATOM 1339 H LYS B 20 -0.503 7.523 -2.193 1.00 0.00 H ATOM 1340 N SER B 21 -0.719 5.385 -4.706 1.00 26.53 N ATOM 1341 CA SER B 21 -0.559 4.685 -5.973 1.00 28.72 C ATOM 1342 C SER B 21 0.666 3.788 -6.016 1.00 27.08 C ATOM 1343 O SER B 21 0.644 2.756 -6.695 1.00 25.67 O ATOM 1344 CB SER B 21 -0.485 5.688 -7.128 1.00 30.31 C ATOM 1345 OG SER B 21 -1.780 6.058 -7.563 1.00 32.82 O ATOM 1346 HG SER B 21 -1.704 6.705 -8.308 1.00 0.00 H ATOM 1347 H SER B 21 -0.300 6.329 -4.586 1.00 0.00 H ATOM 1348 N TYR B 22 1.731 4.145 -5.310 1.00 24.99 N ATOM 1349 CA TYR B 22 3.000 3.457 -5.472 1.00 25.16 C ATOM 1350 C TYR B 22 3.658 3.040 -4.164 1.00 31.52 C ATOM 1351 O TYR B 22 4.758 2.477 -4.202 1.00 28.54 O ATOM 1352 CB TYR B 22 3.967 4.336 -6.277 1.00 25.71 C ATOM 1353 CG TYR B 22 3.399 4.752 -7.625 1.00 23.26 C ATOM 1354 CD1 TYR B 22 3.203 3.819 -8.631 1.00 19.40 C ATOM 1355 CD2 TYR B 22 3.045 6.069 -7.875 1.00 26.68 C ATOM 1356 CE1 TYR B 22 2.687 4.184 -9.862 1.00 21.20 C ATOM 1357 CE2 TYR B 22 2.525 6.449 -9.100 1.00 28.76 C ATOM 1358 CZ TYR B 22 2.347 5.501 -10.090 1.00 26.74 C ATOM 1359 OH TYR B 22 1.827 5.877 -11.307 1.00 25.04 O ATOM 1360 HH TYR B 22 1.765 5.085 -11.897 1.00 0.00 H ATOM 1361 H TYR B 22 1.656 4.929 -4.631 1.00 0.00 H ATOM 1362 N GLY B 23 3.019 3.279 -3.016 1.00 31.69 N ATOM 1363 CA GLY B 23 3.579 2.836 -1.748 1.00 31.26 C ATOM 1364 C GLY B 23 3.545 1.336 -1.557 1.00 30.98 C ATOM 1365 O GLY B 23 4.312 0.801 -0.747 1.00 27.67 O ATOM 1366 H GLY B 23 2.112 3.787 -3.028 1.00 0.00 H ATOM 1367 N ALA B 24 2.673 0.646 -2.289 1.00 23.02 N ATOM 1368 CA ALA B 24 2.536 -0.801 -2.207 1.00 23.74 C ATOM 1369 C ALA B 24 1.871 -1.304 -3.482 1.00 27.72 C ATOM 1370 O ALA B 24 0.652 -1.494 -3.527 1.00 29.72 O ATOM 1371 CB ALA B 24 1.726 -1.204 -0.973 1.00 25.71 C ATOM 1372 H ALA B 24 2.061 1.165 -2.950 1.00 0.00 H ATOM 1373 N TYR B 25 2.662 -1.503 -4.532 1.00 29.07 N ATOM 1374 CA TYR B 25 2.124 -1.878 -5.831 1.00 25.29 C ATOM 1375 C TYR B 25 2.986 -2.983 -6.413 1.00 23.50 C ATOM 1376 O TYR B 25 4.198 -2.806 -6.568 1.00 23.41 O ATOM 1377 CB TYR B 25 2.078 -0.674 -6.772 1.00 23.40 C ATOM 1378 CG TYR B 25 1.467 -0.971 -8.127 1.00 26.49 C ATOM 1379 CD1 TYR B 25 2.229 -1.520 -9.151 1.00 26.53 C ATOM 1380 CD2 TYR B 25 0.133 -0.691 -8.381 1.00 23.62 C ATOM 1381 CE1 TYR B 25 1.673 -1.797 -10.391 1.00 30.56 C ATOM 1382 CE2 TYR B 25 -0.430 -0.955 -9.617 1.00 28.12 C ATOM 1383 CZ TYR B 25 0.345 -1.506 -10.619 1.00 30.81 C ATOM 1384 OH TYR B 25 -0.211 -1.771 -11.850 1.00 30.77 O ATOM 1385 HH TYR B 25 0.478 -2.161 -12.445 1.00 0.00 H ATOM 1386 H TYR B 25 3.690 -1.388 -4.422 1.00 0.00 H ATOM 1387 N GLY B 26 2.353 -4.102 -6.755 1.00 26.04 N ATOM 1388 CA GLY B 26 3.061 -5.204 -7.388 1.00 29.68 C ATOM 1389 C GLY B 26 4.129 -5.787 -6.486 1.00 32.78 C ATOM 1390 O GLY B 26 3.987 -5.844 -5.259 1.00 32.83 O ATOM 1391 H GLY B 26 1.334 -4.191 -6.567 1.00 0.00 H ATOM 1392 N CYS B 27 5.230 -6.216 -7.101 1.00 32.49 N ATOM 1393 CA CYS B 27 6.310 -6.874 -6.384 1.00 32.01 C ATOM 1394 C CYS B 27 7.499 -5.968 -6.115 1.00 34.25 C ATOM 1395 O CYS B 27 8.447 -6.399 -5.450 1.00 38.11 O ATOM 1396 CB CYS B 27 6.770 -8.108 -7.164 1.00 31.75 C ATOM 1397 SG CYS B 27 5.498 -9.357 -7.236 1.00 35.19 S ATOM 1398 H CYS B 27 5.320 -6.076 -8.128 1.00 0.00 H ATOM 1399 N ASN B 28 7.476 -4.729 -6.599 1.00 26.86 N ATOM 1400 CA ASN B 28 8.652 -3.872 -6.519 1.00 28.26 C ATOM 1401 C ASN B 28 8.388 -2.460 -6.028 1.00 25.89 C ATOM 1402 O ASN B 28 9.334 -1.823 -5.555 1.00 27.26 O ATOM 1403 CB ASN B 28 9.348 -3.788 -7.886 1.00 30.65 C ATOM 1404 CG ASN B 28 9.867 -5.131 -8.353 1.00 26.39 C ATOM 1405 OD1 ASN B 28 10.972 -5.535 -8.001 1.00 27.55 O ATOM 1406 ND2 ASN B 28 9.069 -5.833 -9.146 1.00 26.10 N ATOM 1407 HD22 ASN B 28 8.141 -5.452 -9.419 1.00 0.00 H ATOM 1408 HD21 ASN B 28 9.371 -6.765 -9.495 1.00 0.00 H ATOM 1409 H ASN B 28 6.607 -4.367 -7.041 1.00 0.00 H ATOM 1410 N CYS B 29 7.165 -1.939 -6.129 1.00 26.06 N ATOM 1411 CA CYS B 29 6.871 -0.573 -5.695 1.00 24.51 C ATOM 1412 C CYS B 29 6.554 -0.580 -4.203 1.00 30.55 C ATOM 1413 O CYS B 29 5.479 -1.025 -3.791 1.00 28.57 O ATOM 1414 CB CYS B 29 5.709 0.023 -6.482 1.00 26.69 C ATOM 1415 SG CYS B 29 5.943 0.072 -8.264 1.00 26.99 S ATOM 1416 H CYS B 29 6.399 -2.519 -6.527 1.00 0.00 H ATOM 1417 N GLY B 30 7.473 -0.063 -3.397 1.00 32.09 N ATOM 1418 CA GLY B 30 7.240 -0.008 -1.970 1.00 36.48 C ATOM 1419 C GLY B 30 8.363 -0.613 -1.159 1.00 44.26 C ATOM 1420 O GLY B 30 9.536 -0.508 -1.531 1.00 41.33 O ATOM 1421 H GLY B 30 8.363 0.303 -3.792 1.00 0.00 H ATOM 1422 N VAL B 31 8.017 -1.268 -0.062 1.00 51.78 N ATOM 1423 CA VAL B 31 9.000 -1.672 0.936 1.00 50.23 C ATOM 1424 C VAL B 31 9.657 -2.990 0.547 1.00 56.20 C ATOM 1425 O VAL B 31 9.092 -3.824 -0.171 1.00 54.63 O ATOM 1426 CB VAL B 31 8.352 -1.762 2.334 1.00 55.72 C ATOM 1427 CG1 VAL B 31 7.621 -0.470 2.666 1.00 51.29 C ATOM 1428 CG2 VAL B 31 7.415 -2.958 2.416 1.00 55.87 C ATOM 1429 H VAL B 31 7.015 -1.501 0.092 1.00 0.00 H ATOM 1430 N LEU B 32 10.894 -3.146 1.020 1.00 59.33 N ATOM 1431 CA LEU B 32 11.660 -4.389 1.041 1.00 61.36 C ATOM 1432 C LEU B 32 11.727 -5.158 -0.273 1.00 54.07 C ATOM 1433 O LEU B 32 10.843 -5.962 -0.588 1.00 52.97 O ATOM 1434 CB LEU B 32 11.124 -5.314 2.136 1.00 69.14 C ATOM 1435 CG LEU B 32 12.063 -5.506 3.333 1.00 74.91 C ATOM 1436 CD1 LEU B 32 12.369 -6.981 3.549 1.00 79.13 C ATOM 1437 CD2 LEU B 32 13.354 -4.703 3.178 1.00 76.31 C ATOM 1438 H LEU B 32 11.358 -2.301 1.411 1.00 0.00 H ATOM 1439 N GLY B 33 12.795 -4.926 -1.028 1.00 40.95 N ATOM 1440 CA GLY B 33 13.273 -5.887 -1.995 1.00 40.57 C ATOM 1441 C GLY B 33 12.556 -5.855 -3.330 1.00 33.96 C ATOM 1442 O GLY B 33 11.575 -5.142 -3.549 1.00 32.41 O ATOM 1443 H GLY B 33 13.303 -4.025 -0.920 1.00 0.00 H ATOM 1444 N ARG B 34 13.078 -6.667 -4.241 1.00 36.76 N ATOM 1445 CA ARG B 34 12.546 -6.814 -5.582 1.00 33.24 C ATOM 1446 C ARG B 34 11.885 -8.177 -5.748 1.00 36.09 C ATOM 1447 O ARG B 34 12.130 -9.119 -4.989 1.00 36.28 O ATOM 1448 CB ARG B 34 13.653 -6.647 -6.628 1.00 38.15 C ATOM 1449 CG ARG B 34 14.280 -5.264 -6.668 1.00 37.91 C ATOM 1450 CD ARG B 34 15.484 -5.243 -7.589 1.00 34.03 C ATOM 1451 NE ARG B 34 16.491 -6.214 -7.169 1.00 39.20 N ATOM 1452 CZ ARG B 34 16.795 -7.322 -7.838 1.00 40.12 C ATOM 1453 NH1 ARG B 34 16.184 -7.602 -8.977 1.00 45.33 N ATOM 1454 NH2 ARG B 34 17.719 -8.148 -7.372 1.00 40.94 N ATOM 1455 HE ARG B 34 17.006 -6.026 -6.285 1.00 0.00 H ATOM 1456 HH12 ARG B 34 16.425 -8.470 -9.497 1.00 0.00 H ATOM 1457 HH11 ARG B 34 15.462 -6.954 -9.353 1.00 0.00 H ATOM 1458 HH22 ARG B 34 17.955 -9.014 -7.897 1.00 0.00 H ATOM 1459 HH21 ARG B 34 18.209 -7.931 -6.481 1.00 0.00 H ATOM 1460 H ARG B 34 13.914 -7.228 -3.979 1.00 0.00 H ATOM 1461 N GLY B 35 11.032 -8.259 -6.762 1.00 32.43 N ATOM 1462 CA GLY B 35 10.446 -9.510 -7.191 1.00 32.29 C ATOM 1463 C GLY B 35 10.186 -9.402 -8.676 1.00 34.21 C ATOM 1464 O GLY B 35 10.243 -8.315 -9.255 1.00 33.49 O ATOM 1465 H GLY B 35 10.775 -7.388 -7.269 1.00 0.00 H ATOM 1466 N LYS B 36 9.914 -10.545 -9.295 1.00 33.53 N ATOM 1467 CA LYS B 36 9.588 -10.555 -10.712 1.00 34.47 C ATOM 1468 C LYS B 36 8.446 -9.573 -10.981 1.00 30.58 C ATOM 1469 O LYS B 36 7.377 -9.692 -10.362 1.00 29.51 O ATOM 1470 CB LYS B 36 9.204 -11.967 -11.153 1.00 38.21 C ATOM 1471 CG LYS B 36 8.939 -12.104 -12.640 1.00 45.44 C ATOM 1472 H LYS B 36 9.934 -11.438 -8.763 1.00 0.00 H ATOM 1473 N PRO B 37 8.639 -8.579 -11.851 1.00 29.67 N ATOM 1474 CA PRO B 37 7.618 -7.535 -12.010 1.00 31.07 C ATOM 1475 C PRO B 37 6.322 -8.076 -12.598 1.00 30.91 C ATOM 1476 O PRO B 37 6.320 -8.997 -13.417 1.00 28.77 O ATOM 1477 CB PRO B 37 8.285 -6.526 -12.958 1.00 32.48 C ATOM 1478 CG PRO B 37 9.751 -6.799 -12.854 1.00 31.63 C ATOM 1479 CD PRO B 37 9.869 -8.275 -12.603 1.00 30.65 C ATOM 1480 N LYS B 38 5.206 -7.485 -12.163 1.00 30.66 N ATOM 1481 CA LYS B 38 3.879 -7.881 -12.619 1.00 33.51 C ATOM 1482 C LYS B 38 3.436 -7.153 -13.886 1.00 33.42 C ATOM 1483 O LYS B 38 2.646 -7.706 -14.660 1.00 32.83 O ATOM 1484 CB LYS B 38 2.844 -7.636 -11.514 1.00 39.42 C ATOM 1485 CG LYS B 38 3.191 -8.251 -10.163 1.00 45.05 C ATOM 1486 CD LYS B 38 3.316 -9.768 -10.235 1.00 48.29 C ATOM 1487 CE LYS B 38 1.979 -10.438 -10.508 1.00 48.77 C ATOM 1488 NZ LYS B 38 2.104 -11.927 -10.510 1.00 50.37 N ATOM 1489 HZ1 LYS B 38 2.775 -12.216 -11.250 1.00 0.00 H ATOM 1490 HZ2 LYS B 38 2.450 -12.246 -9.582 1.00 0.00 H ATOM 1491 HZ3 LYS B 38 1.174 -12.352 -10.699 1.00 0.00 H ATOM 1492 H LYS B 38 5.287 -6.712 -11.472 1.00 0.00 H ATOM 1493 N ASP B 39 3.910 -5.929 -14.110 1.00 27.14 N ATOM 1494 CA ASP B 39 3.543 -5.134 -15.280 1.00 27.63 C ATOM 1495 C ASP B 39 4.584 -4.028 -15.441 1.00 29.13 C ATOM 1496 O ASP B 39 5.599 -4.005 -14.736 1.00 25.40 O ATOM 1497 CB ASP B 39 2.112 -4.586 -15.157 1.00 22.66 C ATOM 1498 CG ASP B 39 1.943 -3.583 -14.007 1.00 30.11 C ATOM 1499 OD1 ASP B 39 2.905 -3.344 -13.246 1.00 28.52 O ATOM 1500 OD2 ASP B 39 0.833 -3.012 -13.874 1.00 29.21 O ATOM 1501 H ASP B 39 4.572 -5.520 -13.420 1.00 0.00 H ATOM 1502 N ALA B 40 4.323 -3.095 -16.365 1.00 25.24 N ATOM 1503 CA ALA B 40 5.312 -2.066 -16.674 1.00 21.20 C ATOM 1504 C ALA B 40 5.525 -1.120 -15.499 1.00 20.50 C ATOM 1505 O ALA B 40 6.665 -0.740 -15.205 1.00 22.71 O ATOM 1506 CB ALA B 40 4.889 -1.287 -17.918 1.00 21.58 C ATOM 1507 H ALA B 40 3.411 -3.103 -16.865 1.00 0.00 H ATOM 1508 N THR B 41 4.442 -0.713 -14.828 1.00 22.95 N ATOM 1509 CA THR B 41 4.570 0.138 -13.646 1.00 24.09 C ATOM 1510 C THR B 41 5.474 -0.507 -12.609 1.00 24.25 C ATOM 1511 O THR B 41 6.402 0.128 -12.090 1.00 21.37 O ATOM 1512 CB THR B 41 3.194 0.414 -13.038 1.00 22.57 C ATOM 1513 OG1 THR B 41 2.440 1.265 -13.911 1.00 24.32 O ATOM 1514 CG2 THR B 41 3.344 1.087 -11.677 1.00 24.82 C ATOM 1515 HG1 THR B 41 2.328 0.820 -14.788 1.00 0.00 H ATOM 1516 H THR B 41 3.498 -1.005 -15.151 1.00 0.00 H ATOM 1517 N ASP B 42 5.203 -1.777 -12.290 1.00 21.94 N ATOM 1518 CA ASP B 42 6.023 -2.522 -11.345 1.00 23.38 C ATOM 1519 C ASP B 42 7.471 -2.588 -11.811 1.00 23.03 C ATOM 1520 O ASP B 42 8.400 -2.452 -11.006 1.00 23.21 O ATOM 1521 CB ASP B 42 5.443 -3.928 -11.175 1.00 23.95 C ATOM 1522 CG ASP B 42 5.879 -4.595 -9.889 1.00 30.75 C ATOM 1523 OD1 ASP B 42 6.305 -3.881 -8.955 1.00 29.36 O ATOM 1524 OD2 ASP B 42 5.784 -5.839 -9.810 1.00 30.01 O ATOM 1525 H ASP B 42 4.385 -2.245 -12.729 1.00 0.00 H ATOM 1526 N ARG B 43 7.684 -2.784 -13.114 1.00 22.06 N ATOM 1527 CA ARG B 43 9.048 -2.845 -13.623 1.00 21.79 C ATOM 1528 C ARG B 43 9.783 -1.521 -13.437 1.00 22.68 C ATOM 1529 O ARG B 43 11.006 -1.520 -13.262 1.00 23.17 O ATOM 1530 CB ARG B 43 9.045 -3.246 -15.094 1.00 28.00 C ATOM 1531 CG ARG B 43 10.404 -3.655 -15.614 1.00 35.95 C ATOM 1532 CD ARG B 43 10.296 -4.249 -17.005 1.00 42.00 C ATOM 1533 NE ARG B 43 9.465 -5.449 -17.023 1.00 38.32 N ATOM 1534 CZ ARG B 43 8.245 -5.507 -17.544 1.00 43.74 C ATOM 1535 NH1 ARG B 43 7.709 -4.434 -18.105 1.00 39.59 N ATOM 1536 NH2 ARG B 43 7.563 -6.644 -17.509 1.00 50.72 N ATOM 1537 HE ARG B 43 9.854 -6.316 -16.600 1.00 0.00 H ATOM 1538 HH12 ARG B 43 6.753 -4.483 -18.512 1.00 0.00 H ATOM 1539 HH11 ARG B 43 8.244 -3.543 -18.138 1.00 0.00 H ATOM 1540 HH22 ARG B 43 6.607 -6.690 -17.917 1.00 0.00 H ATOM 1541 HH21 ARG B 43 7.984 -7.490 -17.074 1.00 0.00 H ATOM 1542 H ARG B 43 6.879 -2.893 -13.764 1.00 0.00 H ATOM 1543 N CYS B 44 9.071 -0.389 -13.489 1.00 24.39 N ATOM 1544 CA CYS B 44 9.715 0.894 -13.194 1.00 25.58 C ATOM 1545 C CYS B 44 10.367 0.865 -11.816 1.00 22.57 C ATOM 1546 O CYS B 44 11.514 1.301 -11.641 1.00 19.82 O ATOM 1547 CB CYS B 44 8.704 2.046 -13.255 1.00 21.66 C ATOM 1548 SG CYS B 44 7.900 2.375 -14.828 1.00 25.16 S ATOM 1549 H CYS B 44 8.062 -0.420 -13.738 1.00 0.00 H ATOM 1550 N CYS B 45 9.632 0.363 -10.820 1.00 21.88 N ATOM 1551 CA CYS B 45 10.146 0.296 -9.457 1.00 23.81 C ATOM 1552 C CYS B 45 11.259 -0.737 -9.318 1.00 23.86 C ATOM 1553 O CYS B 45 12.142 -0.583 -8.468 1.00 25.30 O ATOM 1554 CB CYS B 45 8.995 -0.023 -8.500 1.00 28.06 C ATOM 1555 SG CYS B 45 7.639 1.196 -8.536 1.00 29.29 S ATOM 1556 H CYS B 45 8.674 0.013 -11.021 1.00 0.00 H ATOM 1557 N TYR B 46 11.221 -1.800 -10.127 1.00 20.94 N ATOM 1558 CA TYR B 46 12.320 -2.759 -10.172 1.00 25.58 C ATOM 1559 C TYR B 46 13.620 -2.088 -10.614 1.00 26.27 C ATOM 1560 O TYR B 46 14.663 -2.231 -9.964 1.00 25.16 O ATOM 1561 CB TYR B 46 11.939 -3.903 -11.113 1.00 29.87 C ATOM 1562 CG TYR B 46 12.931 -5.039 -11.253 1.00 34.06 C ATOM 1563 CD1 TYR B 46 14.032 -4.936 -12.101 1.00 32.29 C ATOM 1564 CD2 TYR B 46 12.728 -6.243 -10.589 1.00 30.63 C ATOM 1565 CE1 TYR B 46 14.922 -5.988 -12.247 1.00 40.89 C ATOM 1566 CE2 TYR B 46 13.609 -7.300 -10.732 1.00 33.07 C ATOM 1567 CZ TYR B 46 14.703 -7.169 -11.560 1.00 42.35 C ATOM 1568 OH TYR B 46 15.579 -8.227 -11.701 1.00 45.28 O ATOM 1569 HH TYR B 46 16.304 -7.973 -12.325 1.00 0.00 H ATOM 1570 H TYR B 46 10.391 -1.947 -10.737 1.00 0.00 H ATOM 1571 N VAL B 47 13.579 -1.364 -11.734 1.00 23.47 N ATOM 1572 CA VAL B 47 14.760 -0.638 -12.200 1.00 24.59 C ATOM 1573 C VAL B 47 15.225 0.356 -11.142 1.00 23.22 C ATOM 1574 O VAL B 47 16.428 0.517 -10.900 1.00 30.91 O ATOM 1575 CB VAL B 47 14.455 0.065 -13.537 1.00 26.43 C ATOM 1576 CG1 VAL B 47 15.594 0.993 -13.928 1.00 27.31 C ATOM 1577 CG2 VAL B 47 14.200 -0.964 -14.630 1.00 28.74 C ATOM 1578 H VAL B 47 12.697 -1.315 -12.282 1.00 0.00 H ATOM 1579 N HIS B 48 14.272 1.034 -10.497 1.00 25.92 N ATOM 1580 CA HIS B 48 14.593 2.020 -9.469 1.00 27.27 C ATOM 1581 C HIS B 48 15.369 1.386 -8.316 1.00 27.92 C ATOM 1582 O HIS B 48 16.331 1.972 -7.806 1.00 28.94 O ATOM 1583 CB HIS B 48 13.289 2.662 -8.984 1.00 25.84 C ATOM 1584 CG HIS B 48 13.472 3.791 -8.019 1.00 30.80 C ATOM 1585 ND1 HIS B 48 12.971 3.756 -6.734 1.00 26.20 N ATOM 1586 CD2 HIS B 48 14.066 5.001 -8.158 1.00 26.94 C ATOM 1587 CE1 HIS B 48 13.260 4.889 -6.119 1.00 28.00 C ATOM 1588 NE2 HIS B 48 13.925 5.662 -6.960 1.00 27.52 N ATOM 1589 H HIS B 48 13.275 0.855 -10.733 1.00 0.00 H ATOM 1590 N LYS B 49 14.987 0.173 -7.914 1.00 26.66 N ATOM 1591 CA LYS B 49 15.697 -0.496 -6.828 1.00 28.59 C ATOM 1592 C LYS B 49 17.068 -0.996 -7.263 1.00 23.50 C ATOM 1593 O LYS B 49 18.009 -0.990 -6.463 1.00 25.54 O ATOM 1594 CB LYS B 49 14.842 -1.637 -6.278 1.00 23.64 C ATOM 1595 CG LYS B 49 13.794 -1.133 -5.305 1.00 26.19 C ATOM 1596 CD LYS B 49 12.794 -2.187 -4.886 1.00 29.75 C ATOM 1597 CE LYS B 49 11.921 -1.649 -3.751 1.00 30.11 C ATOM 1598 NZ LYS B 49 10.872 -2.626 -3.372 1.00 29.13 N ATOM 1599 HZ1 LYS B 49 10.266 -2.819 -4.195 1.00 0.00 H ATOM 1600 HZ2 LYS B 49 11.321 -3.509 -3.056 1.00 0.00 H ATOM 1601 HZ3 LYS B 49 10.296 -2.233 -2.600 1.00 0.00 H ATOM 1602 H LYS B 49 14.182 -0.297 -8.375 1.00 0.00 H ATOM 1603 N CYS B 50 17.206 -1.440 -8.512 1.00 25.98 N ATOM 1604 CA CYS B 50 18.540 -1.718 -9.029 1.00 31.78 C ATOM 1605 C CYS B 50 19.376 -0.449 -9.103 1.00 33.54 C ATOM 1606 O CYS B 50 20.591 -0.495 -8.879 1.00 32.12 O ATOM 1607 CB CYS B 50 18.440 -2.375 -10.403 1.00 37.05 C ATOM 1608 SG CYS B 50 17.760 -4.038 -10.344 1.00 39.97 S ATOM 1609 H CYS B 50 16.369 -1.587 -9.112 1.00 0.00 H ATOM 1610 N CYS B 51 18.742 0.683 -9.409 1.00 28.18 N ATOM 1611 CA CYS B 51 19.447 1.960 -9.442 1.00 34.54 C ATOM 1612 C CYS B 51 19.999 2.317 -8.066 1.00 33.82 C ATOM 1613 O CYS B 51 21.139 2.778 -7.947 1.00 35.43 O ATOM 1614 CB CYS B 51 18.501 3.049 -9.955 1.00 35.47 C ATOM 1615 SG CYS B 51 19.287 4.535 -10.642 1.00 45.67 S ATOM 1616 H CYS B 51 17.726 0.655 -9.628 1.00 0.00 H ATOM 1617 N TYR B 52 19.209 2.089 -7.012 1.00 27.61 N ATOM 1618 CA TYR B 52 19.656 2.399 -5.657 1.00 30.79 C ATOM 1619 C TYR B 52 20.836 1.537 -5.231 1.00 40.09 C ATOM 1620 O TYR B 52 21.665 1.980 -4.428 1.00 42.22 O ATOM 1621 CB TYR B 52 18.509 2.211 -4.663 1.00 25.95 C ATOM 1622 CG TYR B 52 17.578 3.392 -4.517 1.00 33.37 C ATOM 1623 CD1 TYR B 52 17.675 4.498 -5.352 1.00 33.00 C ATOM 1624 CD2 TYR B 52 16.604 3.404 -3.523 1.00 33.31 C ATOM 1625 CE1 TYR B 52 16.818 5.580 -5.203 1.00 28.07 C ATOM 1626 CE2 TYR B 52 15.751 4.475 -3.367 1.00 32.94 C ATOM 1627 CZ TYR B 52 15.859 5.560 -4.206 1.00 31.51 C ATOM 1628 OH TYR B 52 15.002 6.623 -4.044 1.00 34.18 O ATOM 1629 HH TYR B 52 15.207 7.317 -4.720 1.00 0.00 H ATOM 1630 H TYR B 52 18.262 1.685 -7.159 1.00 0.00 H ATOM 1631 N LYS B 53 20.919 0.303 -5.737 1.00 36.22 N ATOM 1632 CA LYS B 53 22.002 -0.589 -5.338 1.00 42.43 C ATOM 1633 C LYS B 53 23.352 -0.100 -5.841 1.00 46.57 C ATOM 1634 O LYS B 53 24.381 -0.384 -5.217 1.00 47.05 O ATOM 1635 CB LYS B 53 21.736 -2.006 -5.842 1.00 47.02 C ATOM 1636 CG LYS B 53 20.925 -2.857 -4.889 1.00 53.85 C ATOM 1637 CD LYS B 53 21.220 -4.332 -5.094 1.00 61.67 C ATOM 1638 CE LYS B 53 20.088 -5.024 -5.824 1.00 64.48 C ATOM 1639 NZ LYS B 53 18.814 -4.930 -5.060 1.00 64.03 N ATOM 1640 HZ1 LYS B 53 18.934 -5.382 -4.131 1.00 0.00 H ATOM 1641 HZ2 LYS B 53 18.562 -3.929 -4.930 1.00 0.00 H ATOM 1642 HZ3 LYS B 53 18.059 -5.414 -5.587 1.00 0.00 H ATOM 1643 H LYS B 53 20.206 -0.024 -6.420 1.00 0.00 H ATOM 1644 N LYS B 57 23.371 0.633 -6.956 1.00 47.50 N ATOM 1645 CA LYS B 57 24.617 1.155 -7.500 1.00 53.07 C ATOM 1646 C LYS B 57 25.158 2.335 -6.706 1.00 53.17 C ATOM 1647 O LYS B 57 26.307 2.732 -6.926 1.00 54.74 O ATOM 1648 CB LYS B 57 24.417 1.572 -8.959 1.00 58.19 C ATOM 1649 CG LYS B 57 23.874 0.474 -9.857 1.00 58.58 C ATOM 1650 H LYS B 57 22.477 0.836 -7.447 1.00 0.00 H ATOM 1651 N LEU B 58 24.368 2.901 -5.800 1.00 48.93 N ATOM 1652 CA LEU B 58 24.806 4.069 -5.052 1.00 46.72 C ATOM 1653 C LEU B 58 25.821 3.681 -3.988 1.00 54.51 C ATOM 1654 O LEU B 58 25.653 2.688 -3.276 1.00 57.92 O ATOM 1655 CB LEU B 58 23.610 4.759 -4.402 1.00 45.76 C ATOM 1656 CG LEU B 58 22.561 5.283 -5.377 1.00 44.53 C ATOM 1657 CD1 LEU B 58 21.377 5.864 -4.616 1.00 46.23 C ATOM 1658 CD2 LEU B 58 23.179 6.314 -6.305 1.00 39.72 C ATOM 1659 H LEU B 58 23.423 2.503 -5.623 1.00 0.00 H ATOM 1660 N THR B 59 26.882 4.476 -3.884 1.00 57.59 N ATOM 1661 CA THR B 59 27.894 4.307 -2.853 1.00 66.32 C ATOM 1662 C THR B 59 28.167 5.660 -2.222 1.00 66.38 C ATOM 1663 O THR B 59 28.459 6.629 -2.930 1.00 62.49 O ATOM 1664 CB THR B 59 29.192 3.717 -3.423 1.00 76.44 C ATOM 1665 OG1 THR B 59 29.686 4.559 -4.472 1.00 79.56 O ATOM 1666 CG2 THR B 59 28.955 2.315 -3.974 1.00 76.87 C ATOM 1667 HG1 THR B 59 29.867 5.463 -4.111 1.00 0.00 H ATOM 1668 H THR B 59 26.993 5.251 -4.569 1.00 0.00 H ATOM 1669 N GLY B 60 28.056 5.731 -0.898 1.00 71.65 N ATOM 1670 CA GLY B 60 28.403 6.929 -0.164 1.00 75.93 C ATOM 1671 C GLY B 60 27.240 7.779 0.295 1.00 69.96 C ATOM 1672 O GLY B 60 27.469 8.815 0.932 1.00 70.08 O ATOM 1673 H GLY B 60 27.710 4.901 -0.375 1.00 0.00 H ATOM 1674 N CYS B 61 26.005 7.386 -0.006 1.00 63.46 N ATOM 1675 CA CYS B 61 24.851 8.146 0.446 1.00 59.67 C ATOM 1676 C CYS B 61 23.687 7.194 0.683 1.00 57.60 C ATOM 1677 O CYS B 61 23.648 6.078 0.158 1.00 52.82 O ATOM 1678 CB CYS B 61 24.474 9.257 -0.550 1.00 59.99 C ATOM 1679 SG CYS B 61 23.956 8.742 -2.215 1.00 57.52 S ATOM 1680 H CYS B 61 25.863 6.525 -0.571 1.00 0.00 H ATOM 1681 N ASN B 67 22.744 7.650 1.504 1.00 58.93 N ATOM 1682 CA ASN B 67 21.600 6.844 1.896 1.00 55.00 C ATOM 1683 C ASN B 67 20.387 7.293 1.099 1.00 49.26 C ATOM 1684 O ASN B 67 19.889 8.405 1.325 1.00 49.52 O ATOM 1685 CB ASN B 67 21.342 6.981 3.397 1.00 57.10 C ATOM 1686 CG ASN B 67 20.178 6.132 3.878 1.00 56.81 C ATOM 1687 OD1 ASN B 67 19.068 6.216 3.351 1.00 54.02 O ATOM 1688 ND2 ASN B 67 20.428 5.313 4.891 1.00 60.92 N ATOM 1689 HD22 ASN B 67 21.381 5.275 5.306 1.00 0.00 H ATOM 1690 HD21 ASN B 67 19.671 4.709 5.271 1.00 0.00 H ATOM 1691 H ASN B 67 22.829 8.617 1.878 1.00 0.00 H ATOM 1692 N PRO B 68 19.869 6.477 0.179 1.00 46.19 N ATOM 1693 CA PRO B 68 18.763 6.940 -0.674 1.00 41.53 C ATOM 1694 C PRO B 68 17.481 7.239 0.082 1.00 46.85 C ATOM 1695 O PRO B 68 16.651 8.002 -0.425 1.00 49.19 O ATOM 1696 CB PRO B 68 18.569 5.779 -1.658 1.00 37.92 C ATOM 1697 CG PRO B 68 19.127 4.591 -0.961 1.00 45.44 C ATOM 1698 CD PRO B 68 20.264 5.091 -0.123 1.00 52.01 C ATOM 1699 N LYS B 69 17.290 6.676 1.274 1.00 46.73 N ATOM 1700 CA LYS B 69 16.039 6.899 1.991 1.00 51.37 C ATOM 1701 C LYS B 69 16.035 8.236 2.725 1.00 48.18 C ATOM 1702 O LYS B 69 15.023 8.945 2.716 1.00 49.77 O ATOM 1703 CB LYS B 69 15.785 5.750 2.969 1.00 55.40 C ATOM 1704 H LYS B 69 18.031 6.079 1.693 1.00 0.00 H ATOM 1705 N LYS B 70 17.154 8.605 3.352 1.00 42.85 N ATOM 1706 CA LYS B 70 17.201 9.771 4.226 1.00 46.06 C ATOM 1707 C LYS B 70 17.918 10.980 3.641 1.00 46.50 C ATOM 1708 O LYS B 70 17.623 12.105 4.052 1.00 48.12 O ATOM 1709 CB LYS B 70 17.874 9.407 5.557 1.00 51.24 C ATOM 1710 H LYS B 70 18.018 8.044 3.213 1.00 0.00 H ATOM 1711 N ASP B 71 18.852 10.792 2.711 1.00 43.69 N ATOM 1712 CA ASP B 71 19.703 11.889 2.263 1.00 47.12 C ATOM 1713 C ASP B 71 18.932 12.823 1.337 1.00 45.99 C ATOM 1714 O ASP B 71 18.405 12.395 0.303 1.00 41.94 O ATOM 1715 CB ASP B 71 20.953 11.350 1.572 1.00 48.07 C ATOM 1716 CG ASP B 71 21.980 10.813 2.560 1.00 56.44 C ATOM 1717 OD1 ASP B 71 21.711 10.846 3.779 1.00 59.59 O ATOM 1718 OD2 ASP B 71 23.058 10.363 2.119 1.00 58.87 O ATOM 1719 H ASP B 71 18.977 9.846 2.297 1.00 0.00 H ATOM 1720 N ARG B 72 18.877 14.100 1.706 1.00 43.69 N ATOM 1721 CA ARG B 72 18.172 15.094 0.913 1.00 49.65 C ATOM 1722 C ARG B 72 19.051 15.599 -0.223 1.00 49.29 C ATOM 1723 O ARG B 72 20.284 15.561 -0.151 1.00 45.88 O ATOM 1724 CB ARG B 72 17.745 16.275 1.784 1.00 54.90 C ATOM 1725 CG ARG B 72 17.308 15.895 3.188 1.00 69.18 C ATOM 1726 CD ARG B 72 15.950 15.223 3.181 1.00 74.17 C ATOM 1727 NE ARG B 72 14.945 16.052 2.522 1.00 78.03 N ATOM 1728 CZ ARG B 72 14.261 17.018 3.127 1.00 84.65 C ATOM 1729 NH1 ARG B 72 14.471 17.279 4.410 1.00 86.85 N ATOM 1730 NH2 ARG B 72 13.367 17.723 2.447 1.00 85.91 N ATOM 1731 HE ARG B 72 14.752 15.876 1.515 1.00 0.00 H ATOM 1732 HH12 ARG B 72 13.935 18.035 4.881 1.00 0.00 H ATOM 1733 HH11 ARG B 72 15.172 16.727 4.945 1.00 0.00 H ATOM 1734 HH22 ARG B 72 12.832 18.479 2.920 1.00 0.00 H ATOM 1735 HH21 ARG B 72 13.201 17.520 1.441 1.00 0.00 H ATOM 1736 H ARG B 72 19.350 14.395 2.584 1.00 0.00 H ATOM 1737 N TYR B 73 18.399 16.083 -1.279 1.00 42.20 N ATOM 1738 CA TYR B 73 19.092 16.713 -2.392 1.00 44.73 C ATOM 1739 C TYR B 73 18.187 17.780 -2.986 1.00 42.14 C ATOM 1740 O TYR B 73 16.978 17.805 -2.743 1.00 38.86 O ATOM 1741 CB TYR B 73 19.495 15.696 -3.464 1.00 35.76 C ATOM 1742 CG TYR B 73 18.341 14.878 -4.004 1.00 34.45 C ATOM 1743 CD1 TYR B 73 17.524 15.375 -5.016 1.00 31.93 C ATOM 1744 CD2 TYR B 73 18.077 13.605 -3.514 1.00 37.55 C ATOM 1745 CE1 TYR B 73 16.472 14.631 -5.514 1.00 30.97 C ATOM 1746 CE2 TYR B 73 17.023 12.851 -4.010 1.00 32.85 C ATOM 1747 CZ TYR B 73 16.228 13.373 -5.014 1.00 27.14 C ATOM 1748 OH TYR B 73 15.186 12.632 -5.512 1.00 29.98 O ATOM 1749 HH TYR B 73 15.536 11.788 -5.894 1.00 0.00 H ATOM 1750 H TYR B 73 17.362 16.008 -1.309 1.00 0.00 H ATOM 1751 N SER B 74 18.786 18.653 -3.786 1.00 38.58 N ATOM 1752 CA SER B 74 18.068 19.756 -4.404 1.00 40.87 C ATOM 1753 C SER B 74 17.722 19.415 -5.846 1.00 39.64 C ATOM 1754 O SER B 74 18.548 18.871 -6.586 1.00 34.03 O ATOM 1755 CB SER B 74 18.894 21.043 -4.349 1.00 51.49 C ATOM 1756 OG SER B 74 18.144 22.150 -4.820 1.00 58.00 O ATOM 1757 HG SER B 74 17.871 21.987 -5.758 1.00 0.00 H ATOM 1758 H SER B 74 19.803 18.545 -3.977 1.00 0.00 H ATOM 1759 N TYR B 75 16.487 19.721 -6.233 1.00 28.67 N ATOM 1760 CA TYR B 75 16.094 19.668 -7.634 1.00 27.87 C ATOM 1761 C TYR B 75 15.036 20.736 -7.856 1.00 33.71 C ATOM 1762 O TYR B 75 14.403 21.211 -6.911 1.00 32.07 O ATOM 1763 CB TYR B 75 15.577 18.279 -8.040 1.00 24.82 C ATOM 1764 CG TYR B 75 14.114 18.021 -7.730 1.00 27.48 C ATOM 1765 CD1 TYR B 75 13.724 17.486 -6.505 1.00 31.09 C ATOM 1766 CD2 TYR B 75 13.127 18.281 -8.675 1.00 25.37 C ATOM 1767 CE1 TYR B 75 12.389 17.233 -6.225 1.00 34.22 C ATOM 1768 CE2 TYR B 75 11.789 18.037 -8.404 1.00 24.75 C ATOM 1769 CZ TYR B 75 11.428 17.513 -7.184 1.00 29.36 C ATOM 1770 OH TYR B 75 10.103 17.271 -6.922 1.00 30.60 O ATOM 1771 HH TYR B 75 9.595 18.118 -6.986 1.00 0.00 H ATOM 1772 H TYR B 75 15.786 20.005 -5.519 1.00 0.00 H ATOM 1773 N SER B 76 14.858 21.122 -9.114 1.00 24.99 N ATOM 1774 CA SER B 76 13.874 22.130 -9.465 1.00 26.22 C ATOM 1775 C SER B 76 12.979 21.618 -10.585 1.00 29.32 C ATOM 1776 O SER B 76 13.305 20.663 -11.299 1.00 27.97 O ATOM 1777 CB SER B 76 14.540 23.455 -9.873 1.00 37.06 C ATOM 1778 OG SER B 76 15.329 23.296 -11.039 1.00 47.48 O ATOM 1779 HG SER B 76 16.037 22.626 -10.868 1.00 0.00 H ATOM 1780 H SER B 76 15.436 20.693 -9.864 1.00 0.00 H ATOM 1781 N TRP B 77 11.831 22.272 -10.704 1.00 27.71 N ATOM 1782 CA TRP B 77 10.803 21.977 -11.695 1.00 27.07 C ATOM 1783 C TRP B 77 10.842 23.131 -12.691 1.00 33.52 C ATOM 1784 O TRP B 77 10.318 24.216 -12.423 1.00 32.82 O ATOM 1785 CB TRP B 77 9.452 21.831 -10.999 1.00 25.06 C ATOM 1786 CG TRP B 77 8.260 21.502 -11.845 1.00 29.61 C ATOM 1787 CD1 TRP B 77 7.199 22.322 -12.117 1.00 33.80 C ATOM 1788 CD2 TRP B 77 7.971 20.252 -12.481 1.00 28.87 C ATOM 1789 NE1 TRP B 77 6.279 21.665 -12.896 1.00 34.14 N ATOM 1790 CE2 TRP B 77 6.727 20.392 -13.134 1.00 33.95 C ATOM 1791 CE3 TRP B 77 8.646 19.031 -12.570 1.00 26.78 C ATOM 1792 CZ2 TRP B 77 6.146 19.357 -13.864 1.00 27.34 C ATOM 1793 CZ3 TRP B 77 8.070 18.008 -13.300 1.00 29.00 C ATOM 1794 CH2 TRP B 77 6.830 18.177 -13.936 1.00 27.86 C ATOM 1795 HE1 TRP B 77 5.387 22.068 -13.248 1.00 0.00 H ATOM 1796 H TRP B 77 11.651 23.053 -10.041 1.00 0.00 H ATOM 1797 N LYS B 78 11.513 22.907 -13.819 1.00 28.58 N ATOM 1798 CA LYS B 78 11.724 23.924 -14.837 1.00 27.95 C ATOM 1799 C LYS B 78 11.174 23.411 -16.157 1.00 32.89 C ATOM 1800 O LYS B 78 11.527 22.308 -16.587 1.00 27.10 O ATOM 1801 CB LYS B 78 13.213 24.251 -14.978 1.00 37.34 C ATOM 1802 CG LYS B 78 13.881 24.706 -13.690 1.00 44.08 C ATOM 1803 CD LYS B 78 13.650 26.187 -13.451 1.00 44.20 C ATOM 1804 CE LYS B 78 14.549 26.727 -12.352 1.00 41.56 C ATOM 1805 NZ LYS B 78 14.321 28.183 -12.160 1.00 43.66 N ATOM 1806 HZ1 LYS B 78 14.531 28.685 -13.046 1.00 0.00 H ATOM 1807 HZ2 LYS B 78 13.328 28.345 -11.895 1.00 0.00 H ATOM 1808 HZ3 LYS B 78 14.944 28.534 -11.405 1.00 0.00 H ATOM 1809 H LYS B 78 11.906 21.958 -13.980 1.00 0.00 H ATOM 1810 N ASP B 79 10.312 24.207 -16.797 1.00 31.58 N ATOM 1811 CA ASP B 79 9.716 23.828 -18.076 1.00 33.72 C ATOM 1812 C ASP B 79 9.025 22.468 -17.962 1.00 26.32 C ATOM 1813 O ASP B 79 9.115 21.619 -18.856 1.00 29.28 O ATOM 1814 CB ASP B 79 10.777 23.825 -19.180 1.00 42.13 C ATOM 1815 CG ASP B 79 10.183 23.889 -20.567 1.00 57.61 C ATOM 1816 OD1 ASP B 79 8.977 24.191 -20.689 1.00 60.53 O ATOM 1817 OD2 ASP B 79 10.928 23.633 -21.540 1.00 63.26 O ATOM 1818 H ASP B 79 10.058 25.122 -16.373 1.00 0.00 H ATOM 1819 N LYS B 80 8.360 22.254 -16.827 1.00 25.50 N ATOM 1820 CA LYS B 80 7.705 20.985 -16.488 1.00 31.79 C ATOM 1821 C LYS B 80 8.660 19.804 -16.660 1.00 32.25 C ATOM 1822 O LYS B 80 8.322 18.764 -17.232 1.00 28.27 O ATOM 1823 CB LYS B 80 6.421 20.790 -17.298 1.00 34.27 C ATOM 1824 CG LYS B 80 5.312 21.740 -16.878 1.00 29.58 C ATOM 1825 CD LYS B 80 3.958 21.316 -17.418 1.00 29.45 C ATOM 1826 CE LYS B 80 3.812 21.637 -18.891 1.00 33.89 C ATOM 1827 NZ LYS B 80 2.381 21.563 -19.314 1.00 30.76 N ATOM 1828 HZ1 LYS B 80 2.019 20.603 -19.143 1.00 0.00 H ATOM 1829 HZ2 LYS B 80 1.823 22.248 -18.765 1.00 0.00 H ATOM 1830 HZ3 LYS B 80 2.308 21.787 -20.327 1.00 0.00 H ATOM 1831 H LYS B 80 8.302 23.033 -16.140 1.00 0.00 H ATOM 1832 N THR B 81 9.874 19.983 -16.153 1.00 27.33 N ATOM 1833 CA THR B 81 10.914 18.970 -16.204 1.00 29.69 C ATOM 1834 C THR B 81 11.614 18.937 -14.856 1.00 30.47 C ATOM 1835 O THR B 81 11.875 19.989 -14.262 1.00 25.68 O ATOM 1836 CB THR B 81 11.939 19.261 -17.315 1.00 34.46 C ATOM 1837 OG1 THR B 81 11.262 19.437 -18.564 1.00 39.82 O ATOM 1838 CG2 THR B 81 12.945 18.122 -17.448 1.00 37.07 C ATOM 1839 HG1 THR B 81 10.631 20.197 -18.492 1.00 0.00 H ATOM 1840 H THR B 81 10.091 20.892 -15.697 1.00 0.00 H ATOM 1841 N ILE B 82 11.906 17.729 -14.375 1.00 28.62 N ATOM 1842 CA ILE B 82 12.732 17.567 -13.182 1.00 25.48 C ATOM 1843 C ILE B 82 14.179 17.868 -13.550 1.00 21.93 C ATOM 1844 O ILE B 82 14.746 17.256 -14.462 1.00 26.68 O ATOM 1845 CB ILE B 82 12.595 16.153 -12.605 1.00 25.52 C ATOM 1846 CG1 ILE B 82 11.175 15.918 -12.086 1.00 23.07 C ATOM 1847 CG2 ILE B 82 13.617 15.932 -11.494 1.00 26.95 C ATOM 1848 CD1 ILE B 82 10.865 14.449 -11.850 1.00 20.77 C ATOM 1849 H ILE B 82 11.538 16.885 -14.859 1.00 0.00 H ATOM 1850 N VAL B 83 14.788 18.811 -12.842 1.00 25.66 N ATOM 1851 CA VAL B 83 16.156 19.234 -13.122 1.00 25.34 C ATOM 1852 C VAL B 83 16.945 19.062 -11.831 1.00 26.84 C ATOM 1853 O VAL B 83 16.816 19.866 -10.898 1.00 28.27 O ATOM 1854 CB VAL B 83 16.227 20.674 -13.636 1.00 28.70 C ATOM 1855 CG1 VAL B 83 17.684 21.080 -13.883 1.00 31.14 C ATOM 1856 CG2 VAL B 83 15.411 20.825 -14.915 1.00 27.82 C ATOM 1857 H VAL B 83 14.272 19.264 -12.061 1.00 0.00 H ATOM 1858 N CYS B 84 17.761 18.017 -11.770 1.00 30.32 N ATOM 1859 CA CYS B 84 18.578 17.788 -10.588 1.00 33.07 C ATOM 1860 C CYS B 84 19.561 18.936 -10.402 1.00 33.29 C ATOM 1861 O CYS B 84 20.110 19.472 -11.366 1.00 33.13 O ATOM 1862 CB CYS B 84 19.318 16.453 -10.705 1.00 27.90 C ATOM 1863 SG CYS B 84 18.216 15.004 -10.612 1.00 41.76 S ATOM 1864 H CYS B 84 17.817 17.358 -12.572 1.00 0.00 H ATOM 1865 N GLY B 85 19.755 19.334 -9.152 1.00 33.02 N ATOM 1866 CA GLY B 85 20.629 20.450 -8.862 1.00 30.56 C ATOM 1867 C GLY B 85 21.729 20.077 -7.893 1.00 38.23 C ATOM 1868 O GLY B 85 21.832 20.663 -6.810 1.00 37.33 O ATOM 1869 H GLY B 85 19.275 18.840 -8.373 1.00 0.00 H ATOM 1870 N GLU B 86 22.553 19.098 -8.268 1.00 37.07 N ATOM 1871 CA GLU B 86 23.629 18.622 -7.412 1.00 36.72 C ATOM 1872 C GLU B 86 24.889 18.376 -8.227 1.00 42.67 C ATOM 1873 O GLU B 86 24.825 17.916 -9.371 1.00 41.20 O ATOM 1874 CB GLU B 86 23.242 17.327 -6.678 1.00 37.93 C ATOM 1875 CG GLU B 86 22.093 17.466 -5.696 1.00 39.91 C ATOM 1876 CD GLU B 86 22.446 18.292 -4.469 1.00 44.67 C ATOM 1877 OE1 GLU B 86 23.634 18.634 -4.282 1.00 50.03 O ATOM 1878 OE2 GLU B 86 21.525 18.601 -3.686 1.00 47.42 O ATOM 1879 H GLU B 86 22.422 18.661 -9.202 1.00 0.00 H ATOM 1880 N ASN B 87 26.032 18.687 -7.621 1.00 37.31 N ATOM 1881 CA ASN B 87 27.334 18.302 -8.147 1.00 39.18 C ATOM 1882 C ASN B 87 27.868 17.017 -7.524 1.00 40.52 C ATOM 1883 O ASN B 87 28.597 16.276 -8.190 1.00 43.57 O ATOM 1884 CB ASN B 87 28.343 19.436 -7.922 1.00 41.70 C ATOM 1885 CG ASN B 87 29.682 19.160 -8.560 1.00 49.18 C ATOM 1886 OD1 ASN B 87 29.834 19.274 -9.776 1.00 53.30 O ATOM 1887 ND2 ASN B 87 30.669 18.812 -7.742 1.00 50.31 N ATOM 1888 HD22 ASN B 87 30.493 18.728 -6.720 1.00 0.00 H ATOM 1889 HD21 ASN B 87 31.618 18.623 -8.123 1.00 0.00 H ATOM 1890 H ASN B 87 25.994 19.228 -6.734 1.00 0.00 H ATOM 1891 N ASN B 88 27.518 16.741 -6.270 1.00 41.02 N ATOM 1892 CA ASN B 88 28.021 15.556 -5.580 1.00 48.88 C ATOM 1893 C ASN B 88 27.623 14.291 -6.336 1.00 42.85 C ATOM 1894 O ASN B 88 26.431 14.076 -6.586 1.00 39.51 O ATOM 1895 CB ASN B 88 27.477 15.495 -4.153 1.00 43.75 C ATOM 1896 CG ASN B 88 27.930 14.248 -3.413 1.00 50.08 C ATOM 1897 OD1 ASN B 88 27.267 13.211 -3.454 1.00 52.97 O ATOM 1898 ND2 ASN B 88 29.061 14.345 -2.733 1.00 49.36 N ATOM 1899 HD22 ASN B 88 29.589 15.241 -2.726 1.00 0.00 H ATOM 1900 HD21 ASN B 88 29.422 13.525 -2.205 1.00 0.00 H ATOM 1901 H ASN B 88 26.871 17.384 -5.770 1.00 0.00 H ATOM 1902 N PRO B 90 28.582 13.430 -6.704 1.00 38.92 N ATOM 1903 CA PRO B 90 28.237 12.272 -7.553 1.00 41.54 C ATOM 1904 C PRO B 90 27.128 11.398 -6.993 1.00 35.29 C ATOM 1905 O PRO B 90 26.211 11.033 -7.738 1.00 34.21 O ATOM 1906 CB PRO B 90 29.571 11.520 -7.655 1.00 38.61 C ATOM 1907 CG PRO B 90 30.605 12.588 -7.495 1.00 42.34 C ATOM 1908 CD PRO B 90 30.031 13.526 -6.466 1.00 44.52 C ATOM 1909 N CYS B 91 27.173 11.051 -5.703 1.00 36.90 N ATOM 1910 CA CYS B 91 26.126 10.193 -5.146 1.00 41.01 C ATOM 1911 C CYS B 91 24.771 10.888 -5.183 1.00 37.09 C ATOM 1912 O CYS B 91 23.788 10.328 -5.683 1.00 40.17 O ATOM 1913 CB CYS B 91 26.473 9.769 -3.716 1.00 49.07 C ATOM 1914 SG CYS B 91 25.672 8.205 -3.167 1.00 50.65 S ATOM 1915 H CYS B 91 27.948 11.389 -5.098 1.00 0.00 H ATOM 1916 N LEU B 92 24.700 12.121 -4.667 1.00 36.30 N ATOM 1917 CA LEU B 92 23.432 12.849 -4.659 1.00 35.17 C ATOM 1918 C LEU B 92 22.908 13.075 -6.074 1.00 32.51 C ATOM 1919 O LEU B 92 21.694 13.034 -6.311 1.00 31.28 O ATOM 1920 CB LEU B 92 23.595 14.183 -3.934 1.00 33.19 C ATOM 1921 CG LEU B 92 23.892 14.105 -2.438 1.00 35.54 C ATOM 1922 CD1 LEU B 92 24.011 15.500 -1.864 1.00 37.34 C ATOM 1923 CD2 LEU B 92 22.806 13.315 -1.727 1.00 39.06 C ATOM 1924 H LEU B 92 25.553 12.564 -4.269 1.00 0.00 H ATOM 1925 N LYS B 93 23.811 13.329 -7.023 1.00 34.69 N ATOM 1926 CA LYS B 93 23.413 13.491 -8.418 1.00 31.00 C ATOM 1927 C LYS B 93 22.844 12.190 -8.980 1.00 30.99 C ATOM 1928 O LYS B 93 21.791 12.190 -9.633 1.00 28.50 O ATOM 1929 CB LYS B 93 24.614 13.977 -9.234 1.00 35.45 C ATOM 1930 CG LYS B 93 24.439 13.954 -10.741 1.00 36.12 C ATOM 1931 CD LYS B 93 23.318 14.866 -11.215 1.00 35.88 C ATOM 1932 CE LYS B 93 23.282 14.907 -12.742 1.00 35.04 C ATOM 1933 NZ LYS B 93 22.099 15.641 -13.273 1.00 38.60 N ATOM 1934 HZ1 LYS B 93 21.228 15.175 -12.947 1.00 0.00 H ATOM 1935 HZ2 LYS B 93 22.118 16.622 -12.929 1.00 0.00 H ATOM 1936 HZ3 LYS B 93 22.128 15.636 -14.313 1.00 0.00 H ATOM 1937 H LYS B 93 24.815 13.413 -6.764 1.00 0.00 H ATOM 1938 N GLU B 94 23.516 11.065 -8.727 1.00 30.31 N ATOM 1939 CA GLU B 94 23.012 9.789 -9.229 1.00 28.86 C ATOM 1940 C GLU B 94 21.713 9.407 -8.540 1.00 31.88 C ATOM 1941 O GLU B 94 20.795 8.881 -9.182 1.00 31.09 O ATOM 1942 CB GLU B 94 24.060 8.695 -9.040 1.00 30.09 C ATOM 1943 CG GLU B 94 25.297 8.910 -9.881 1.00 45.56 C ATOM 1944 CD GLU B 94 26.338 7.835 -9.669 1.00 50.47 C ATOM 1945 OE1 GLU B 94 27.199 7.659 -10.557 1.00 53.03 O ATOM 1946 OE2 GLU B 94 26.295 7.165 -8.617 1.00 54.00 O ATOM 1947 H GLU B 94 24.396 11.097 -8.174 1.00 0.00 H ATOM 1948 N LEU B 95 21.621 9.663 -7.234 1.00 29.88 N ATOM 1949 CA LEU B 95 20.384 9.393 -6.508 1.00 27.85 C ATOM 1950 C LEU B 95 19.225 10.188 -7.090 1.00 28.47 C ATOM 1951 O LEU B 95 18.133 9.649 -7.304 1.00 26.98 O ATOM 1952 CB LEU B 95 20.571 9.722 -5.026 1.00 29.43 C ATOM 1953 CG LEU B 95 19.298 9.813 -4.186 1.00 33.37 C ATOM 1954 CD1 LEU B 95 18.580 8.465 -4.175 1.00 33.03 C ATOM 1955 CD2 LEU B 95 19.630 10.268 -2.770 1.00 30.27 C ATOM 1956 H LEU B 95 22.439 10.059 -6.728 1.00 0.00 H ATOM 1957 N CYS B 96 19.454 11.472 -7.369 1.00 32.80 N ATOM 1958 CA CYS B 96 18.406 12.320 -7.926 1.00 29.21 C ATOM 1959 C CYS B 96 17.982 11.840 -9.313 1.00 26.98 C ATOM 1960 O CYS B 96 16.792 11.864 -9.653 1.00 24.73 O ATOM 1961 CB CYS B 96 18.898 13.769 -7.963 1.00 30.27 C ATOM 1962 SG CYS B 96 17.719 14.931 -8.647 1.00 34.74 S ATOM 1963 H CYS B 96 20.395 11.875 -7.186 1.00 0.00 H ATOM 1964 N GLU B 97 18.936 11.372 -10.121 1.00 24.62 N ATOM 1965 CA GLU B 97 18.582 10.858 -11.440 1.00 22.55 C ATOM 1966 C GLU B 97 17.847 9.523 -11.343 1.00 26.05 C ATOM 1967 O GLU B 97 16.967 9.254 -12.167 1.00 29.07 O ATOM 1968 CB GLU B 97 19.831 10.740 -12.318 1.00 24.52 C ATOM 1969 CG GLU B 97 20.519 12.079 -12.607 1.00 26.53 C ATOM 1970 CD GLU B 97 19.682 13.020 -13.471 1.00 36.80 C ATOM 1971 OE1 GLU B 97 18.847 12.527 -14.262 1.00 31.53 O ATOM 1972 OE2 GLU B 97 19.866 14.257 -13.363 1.00 40.06 O ATOM 1973 H GLU B 97 19.929 11.374 -9.811 1.00 0.00 H ATOM 1974 N CYS B 98 18.177 8.685 -10.347 1.00 25.29 N ATOM 1975 CA CYS B 98 17.385 7.479 -10.100 1.00 26.58 C ATOM 1976 C CYS B 98 15.929 7.839 -9.832 1.00 25.47 C ATOM 1977 O CYS B 98 15.010 7.256 -10.418 1.00 22.23 O ATOM 1978 CB CYS B 98 17.935 6.688 -8.903 1.00 33.21 C ATOM 1979 SG CYS B 98 19.519 5.796 -9.061 1.00 37.42 S ATOM 1980 H CYS B 98 19.001 8.894 -9.747 1.00 0.00 H ATOM 1981 N ASP B 99 15.705 8.793 -8.924 1.00 22.51 N ATOM 1982 CA ASP B 99 14.347 9.180 -8.555 1.00 23.63 C ATOM 1983 C ASP B 99 13.618 9.839 -9.721 1.00 19.16 C ATOM 1984 O ASP B 99 12.441 9.541 -9.967 1.00 22.01 O ATOM 1985 CB ASP B 99 14.381 10.106 -7.338 1.00 26.82 C ATOM 1986 CG ASP B 99 14.788 9.377 -6.058 1.00 30.64 C ATOM 1987 OD1 ASP B 99 14.857 8.126 -6.072 1.00 27.78 O ATOM 1988 OD2 ASP B 99 15.031 10.052 -5.035 1.00 30.64 O ATOM 1989 H ASP B 99 16.512 9.268 -8.472 1.00 0.00 H ATOM 1990 N LYS B 100 14.298 10.726 -10.452 1.00 20.04 N ATOM 1991 CA LYS B 100 13.693 11.335 -11.637 1.00 21.46 C ATOM 1992 C LYS B 100 13.273 10.277 -12.649 1.00 22.80 C ATOM 1993 O LYS B 100 12.196 10.373 -13.250 1.00 19.10 O ATOM 1994 CB LYS B 100 14.672 12.324 -12.281 1.00 21.85 C ATOM 1995 CG LYS B 100 14.268 12.799 -13.690 1.00 21.71 C ATOM 1996 CD LYS B 100 15.295 13.785 -14.262 1.00 24.11 C ATOM 1997 CE LYS B 100 14.910 14.271 -15.659 1.00 22.83 C ATOM 1998 NZ LYS B 100 15.747 15.446 -16.082 1.00 24.89 N ATOM 1999 HZ1 LYS B 100 15.609 16.228 -15.411 1.00 0.00 H ATOM 2000 HZ2 LYS B 100 16.750 15.170 -16.093 1.00 0.00 H ATOM 2001 HZ3 LYS B 100 15.459 15.750 -17.034 1.00 0.00 H ATOM 2002 H LYS B 100 15.266 10.986 -10.176 1.00 0.00 H ATOM 2003 N ALA B 101 14.114 9.261 -12.853 1.00 23.37 N ATOM 2004 CA ALA B 101 13.829 8.259 -13.871 1.00 27.50 C ATOM 2005 C ALA B 101 12.595 7.440 -13.516 1.00 23.58 C ATOM 2006 O ALA B 101 11.778 7.128 -14.391 1.00 21.57 O ATOM 2007 CB ALA B 101 15.038 7.347 -14.061 1.00 22.24 C ATOM 2008 H ALA B 101 14.979 9.184 -12.281 1.00 0.00 H ATOM 2009 N VAL B 102 12.429 7.087 -12.241 1.00 21.60 N ATOM 2010 CA VAL B 102 11.263 6.282 -11.891 1.00 20.55 C ATOM 2011 C VAL B 102 9.995 7.125 -11.978 1.00 17.68 C ATOM 2012 O VAL B 102 8.948 6.638 -12.416 1.00 20.20 O ATOM 2013 CB VAL B 102 11.434 5.610 -10.511 1.00 20.64 C ATOM 2014 CG1 VAL B 102 11.320 6.610 -9.372 1.00 22.06 C ATOM 2015 CG2 VAL B 102 10.398 4.490 -10.340 1.00 18.97 C ATOM 2016 H VAL B 102 13.113 7.378 -11.514 1.00 0.00 H ATOM 2017 N ALA B 103 10.077 8.411 -11.622 1.00 18.56 N ATOM 2018 CA ALA B 103 8.909 9.280 -11.747 1.00 21.77 C ATOM 2019 C ALA B 103 8.465 9.394 -13.202 1.00 25.36 C ATOM 2020 O ALA B 103 7.265 9.317 -13.501 1.00 18.53 O ATOM 2021 CB ALA B 103 9.207 10.662 -11.166 1.00 19.89 C ATOM 2022 H ALA B 103 10.972 8.793 -11.256 1.00 0.00 H ATOM 2023 N ILE B 104 9.420 9.566 -14.120 1.00 22.10 N ATOM 2024 CA ILE B 104 9.095 9.594 -15.543 1.00 24.49 C ATOM 2025 C ILE B 104 8.553 8.242 -15.997 1.00 20.77 C ATOM 2026 O ILE B 104 7.569 8.176 -16.741 1.00 19.81 O ATOM 2027 CB ILE B 104 10.330 10.008 -16.364 1.00 22.77 C ATOM 2028 CG1 ILE B 104 10.716 11.463 -16.075 1.00 21.51 C ATOM 2029 CG2 ILE B 104 10.080 9.808 -17.862 1.00 27.73 C ATOM 2030 CD1 ILE B 104 12.084 11.842 -16.616 1.00 23.09 C ATOM 2031 H ILE B 104 10.408 9.681 -13.817 1.00 0.00 H ATOM 2032 N CYS B 105 9.196 7.145 -15.575 1.00 19.55 N ATOM 2033 CA CYS B 105 8.764 5.820 -16.015 1.00 22.34 C ATOM 2034 C CYS B 105 7.343 5.530 -15.545 1.00 26.75 C ATOM 2035 O CYS B 105 6.523 5.004 -16.308 1.00 21.73 O ATOM 2036 CB CYS B 105 9.737 4.750 -15.501 1.00 21.39 C ATOM 2037 SG CYS B 105 9.408 3.025 -16.037 1.00 26.96 S ATOM 2038 H CYS B 105 10.007 7.237 -14.931 1.00 0.00 H ATOM 2039 N LEU B 106 7.024 5.892 -14.297 1.00 19.72 N ATOM 2040 CA LEU B 106 5.670 5.674 -13.794 1.00 22.86 C ATOM 2041 C LEU B 106 4.657 6.475 -14.601 1.00 22.33 C ATOM 2042 O LEU B 106 3.580 5.971 -14.940 1.00 21.18 O ATOM 2043 CB LEU B 106 5.583 6.032 -12.303 1.00 16.88 C ATOM 2044 CG LEU B 106 6.397 5.131 -11.364 1.00 17.19 C ATOM 2045 CD1 LEU B 106 6.450 5.710 -9.951 1.00 18.43 C ATOM 2046 CD2 LEU B 106 5.866 3.697 -11.348 1.00 22.08 C ATOM 2047 H LEU B 106 7.741 6.329 -13.684 1.00 0.00 H ATOM 2048 N ARG B 107 4.995 7.720 -14.942 1.00 22.00 N ATOM 2049 CA ARG B 107 4.096 8.526 -15.762 1.00 24.33 C ATOM 2050 C ARG B 107 3.873 7.889 -17.128 1.00 21.16 C ATOM 2051 O ARG B 107 2.734 7.808 -17.603 1.00 23.97 O ATOM 2052 CB ARG B 107 4.652 9.944 -15.914 1.00 21.31 C ATOM 2053 CG ARG B 107 3.790 10.879 -16.753 1.00 27.89 C ATOM 2054 CD ARG B 107 4.447 11.208 -18.080 1.00 36.23 C ATOM 2055 NE ARG B 107 5.742 11.863 -17.909 1.00 34.51 N ATOM 2056 CZ ARG B 107 6.672 11.924 -18.854 1.00 33.75 C ATOM 2057 NH1 ARG B 107 6.454 11.365 -20.035 1.00 38.28 N ATOM 2058 NH2 ARG B 107 7.822 12.535 -18.616 1.00 34.65 N ATOM 2059 HE ARG B 107 5.947 12.308 -16.992 1.00 0.00 H ATOM 2060 HH12 ARG B 107 7.183 11.413 -20.775 1.00 0.00 H ATOM 2061 HH11 ARG B 107 5.554 10.878 -20.222 1.00 0.00 H ATOM 2062 HH22 ARG B 107 8.549 12.582 -19.358 1.00 0.00 H ATOM 2063 HH21 ARG B 107 7.998 12.968 -17.687 1.00 0.00 H ATOM 2064 H ARG B 107 5.902 8.117 -14.623 1.00 0.00 H ATOM 2065 N GLU B 108 4.947 7.419 -17.770 1.00 21.63 N ATOM 2066 CA GLU B 108 4.822 6.860 -19.113 1.00 23.36 C ATOM 2067 C GLU B 108 3.931 5.625 -19.137 1.00 22.10 C ATOM 2068 O GLU B 108 3.288 5.342 -20.155 1.00 23.06 O ATOM 2069 CB GLU B 108 6.210 6.530 -19.666 1.00 25.77 C ATOM 2070 CG GLU B 108 7.013 7.762 -20.061 1.00 29.02 C ATOM 2071 CD GLU B 108 8.407 7.432 -20.576 1.00 36.18 C ATOM 2072 OE1 GLU B 108 8.856 6.281 -20.409 1.00 42.61 O ATOM 2073 OE2 GLU B 108 9.058 8.330 -21.146 1.00 36.84 O ATOM 2074 H GLU B 108 5.879 7.452 -17.309 1.00 0.00 H ATOM 2075 N ASN B 109 3.861 4.888 -18.028 1.00 21.74 N ATOM 2076 CA ASN B 109 3.141 3.625 -17.977 1.00 26.53 C ATOM 2077 C ASN B 109 1.846 3.719 -17.185 1.00 25.75 C ATOM 2078 O ASN B 109 1.249 2.688 -16.857 1.00 25.31 O ATOM 2079 CB ASN B 109 4.046 2.536 -17.404 1.00 24.00 C ATOM 2080 CG ASN B 109 5.174 2.192 -18.343 1.00 19.94 C ATOM 2081 OD1 ASN B 109 4.960 1.558 -19.372 1.00 23.52 O ATOM 2082 ND2 ASN B 109 6.380 2.632 -18.010 1.00 23.43 N ATOM 2083 HD22 ASN B 109 6.513 3.166 -17.127 1.00 0.00 H ATOM 2084 HD21 ASN B 109 7.192 2.444 -18.632 1.00 0.00 H ATOM 2085 H ASN B 109 4.338 5.228 -17.169 1.00 0.00 H ATOM 2086 N LEU B 110 1.389 4.939 -16.896 1.00 28.07 N ATOM 2087 CA LEU B 110 0.109 5.126 -16.215 1.00 28.14 C ATOM 2088 C LEU B 110 -1.033 4.419 -16.932 1.00 30.96 C ATOM 2089 O LEU B 110 -1.997 3.987 -16.287 1.00 27.83 O ATOM 2090 CB LEU B 110 -0.206 6.615 -16.098 1.00 31.57 C ATOM 2091 CG LEU B 110 0.350 7.366 -14.893 1.00 36.88 C ATOM 2092 CD1 LEU B 110 0.056 8.857 -15.027 1.00 32.84 C ATOM 2093 CD2 LEU B 110 -0.262 6.806 -13.614 1.00 38.44 C ATOM 2094 H LEU B 110 1.954 5.772 -17.160 1.00 0.00 H ATOM 2095 N GLY B 111 -0.943 4.285 -18.258 1.00 28.19 N ATOM 2096 CA GLY B 111 -2.033 3.720 -19.036 1.00 33.45 C ATOM 2097 C GLY B 111 -2.337 2.266 -18.735 1.00 31.55 C ATOM 2098 O GLY B 111 -3.437 1.794 -19.048 1.00 35.75 O ATOM 2099 H GLY B 111 -0.076 4.591 -18.743 1.00 0.00 H ATOM 2100 N THR B 112 -1.386 1.535 -18.158 1.00 29.70 N ATOM 2101 CA THR B 112 -1.601 0.141 -17.797 1.00 32.31 C ATOM 2102 C THR B 112 -1.631 -0.068 -16.289 1.00 25.27 C ATOM 2103 O THR B 112 -1.665 -1.216 -15.837 1.00 28.21 O ATOM 2104 CB THR B 112 -0.531 -0.756 -18.429 1.00 34.80 C ATOM 2105 OG1 THR B 112 0.768 -0.369 -17.963 1.00 28.47 O ATOM 2106 CG2 THR B 112 -0.582 -0.661 -19.958 1.00 38.91 C ATOM 2107 HG1 THR B 112 0.805 -0.461 -16.978 1.00 0.00 H ATOM 2108 H THR B 112 -0.463 1.972 -17.959 1.00 0.00 H ATOM 2109 N TYR B 113 -1.607 1.010 -15.506 1.00 25.98 N ATOM 2110 CA TYR B 113 -1.769 0.895 -14.059 1.00 26.76 C ATOM 2111 C TYR B 113 -3.053 0.136 -13.734 1.00 27.16 C ATOM 2112 O TYR B 113 -4.126 0.458 -14.250 1.00 29.16 O ATOM 2113 CB TYR B 113 -1.797 2.284 -13.415 1.00 23.53 C ATOM 2114 CG TYR B 113 -1.784 2.276 -11.893 1.00 29.38 C ATOM 2115 CD1 TYR B 113 -2.965 2.152 -11.167 1.00 30.17 C ATOM 2116 CD2 TYR B 113 -0.590 2.408 -11.184 1.00 31.33 C ATOM 2117 CE1 TYR B 113 -2.960 2.144 -9.782 1.00 27.05 C ATOM 2118 CE2 TYR B 113 -0.573 2.410 -9.791 1.00 22.48 C ATOM 2119 CZ TYR B 113 -1.763 2.272 -9.100 1.00 23.09 C ATOM 2120 OH TYR B 113 -1.767 2.263 -7.726 1.00 27.83 O ATOM 2121 HH TYR B 113 -1.394 3.117 -7.390 1.00 0.00 H ATOM 2122 H TYR B 113 -1.471 1.949 -15.932 1.00 0.00 H ATOM 2123 N ASN B 114 -2.940 -0.872 -12.872 1.00 29.70 N ATOM 2124 CA ASN B 114 -4.066 -1.727 -12.508 1.00 26.99 C ATOM 2125 C ASN B 114 -4.151 -1.769 -10.991 1.00 30.83 C ATOM 2126 O ASN B 114 -3.237 -2.273 -10.330 1.00 25.63 O ATOM 2127 CB ASN B 114 -3.897 -3.136 -13.091 1.00 30.18 C ATOM 2128 CG ASN B 114 -5.146 -3.997 -12.942 1.00 31.56 C ATOM 2129 OD1 ASN B 114 -6.058 -3.679 -12.174 1.00 33.76 O ATOM 2130 ND2 ASN B 114 -5.181 -5.108 -13.668 1.00 37.89 N ATOM 2131 HD22 ASN B 114 -4.391 -5.339 -14.303 1.00 0.00 H ATOM 2132 HD21 ASN B 114 -5.999 -5.747 -13.601 1.00 0.00 H ATOM 2133 H ASN B 114 -2.012 -1.058 -12.440 1.00 0.00 H ATOM 2134 N LYS B 115 -5.248 -1.235 -10.443 1.00 33.24 N ATOM 2135 CA LYS B 115 -5.427 -1.189 -8.995 1.00 32.30 C ATOM 2136 C LYS B 115 -5.426 -2.569 -8.355 1.00 29.69 C ATOM 2137 O LYS B 115 -5.244 -2.672 -7.137 1.00 30.54 O ATOM 2138 CB LYS B 115 -6.732 -0.476 -8.643 1.00 39.35 C ATOM 2139 CG LYS B 115 -6.775 0.995 -9.005 1.00 42.33 C ATOM 2140 CD LYS B 115 -8.072 1.621 -8.527 1.00 47.81 C ATOM 2141 CE LYS B 115 -8.213 3.054 -9.005 1.00 53.83 C ATOM 2142 NZ LYS B 115 -9.361 3.733 -8.339 1.00 64.20 N ATOM 2143 HZ1 LYS B 115 -10.239 3.221 -8.558 1.00 0.00 H ATOM 2144 HZ2 LYS B 115 -9.209 3.739 -7.310 1.00 0.00 H ATOM 2145 HZ3 LYS B 115 -9.432 4.711 -8.686 1.00 0.00 H ATOM 2146 H LYS B 115 -5.988 -0.845 -11.061 1.00 0.00 H ATOM 2147 N LYS B 116 -5.638 -3.632 -9.135 1.00 30.62 N ATOM 2148 CA LYS B 116 -5.629 -4.967 -8.553 1.00 35.70 C ATOM 2149 C LYS B 116 -4.255 -5.354 -8.026 1.00 34.75 C ATOM 2150 O LYS B 116 -4.160 -6.266 -7.198 1.00 34.31 O ATOM 2151 CB LYS B 116 -6.113 -6.003 -9.572 1.00 40.65 C ATOM 2152 CG LYS B 116 -5.047 -6.502 -10.539 1.00 43.92 C ATOM 2153 CD LYS B 116 -5.589 -7.636 -11.408 1.00 53.62 C ATOM 2154 CE LYS B 116 -4.499 -8.259 -12.269 1.00 53.30 C ATOM 2155 NZ LYS B 116 -4.962 -9.518 -12.919 1.00 59.86 N ATOM 2156 HZ1 LYS B 116 -5.234 -10.205 -12.187 1.00 0.00 H ATOM 2157 HZ2 LYS B 116 -5.782 -9.313 -13.525 1.00 0.00 H ATOM 2158 HZ3 LYS B 116 -4.192 -9.912 -13.496 1.00 0.00 H ATOM 2159 H LYS B 116 -5.809 -3.507 -10.153 1.00 0.00 H ATOM 2160 N TYR B 117 -3.195 -4.682 -8.480 1.00 32.97 N ATOM 2161 CA TYR B 117 -1.848 -4.916 -7.978 1.00 29.72 C ATOM 2162 C TYR B 117 -1.508 -4.072 -6.753 1.00 29.61 C ATOM 2163 O TYR B 117 -0.404 -4.208 -6.217 1.00 29.71 O ATOM 2164 CB TYR B 117 -0.825 -4.650 -9.087 1.00 29.77 C ATOM 2165 CG TYR B 117 -0.902 -5.643 -10.223 1.00 29.36 C ATOM 2166 CD1 TYR B 117 -1.002 -7.008 -9.971 1.00 32.60 C ATOM 2167 CD2 TYR B 117 -0.885 -5.220 -11.549 1.00 33.90 C ATOM 2168 CE1 TYR B 117 -1.078 -7.926 -11.005 1.00 39.65 C ATOM 2169 CE2 TYR B 117 -0.959 -6.132 -12.589 1.00 40.04 C ATOM 2170 CZ TYR B 117 -1.057 -7.482 -12.310 1.00 40.12 C ATOM 2171 OH TYR B 117 -1.133 -8.395 -13.339 1.00 43.68 O ATOM 2172 HH TYR B 117 -1.198 -9.309 -12.964 1.00 0.00 H ATOM 2173 H TYR B 117 -3.336 -3.965 -9.220 1.00 0.00 H ATOM 2174 N ARG B 118 -2.406 -3.197 -6.309 1.00 24.85 N ATOM 2175 CA ARG B 118 -2.190 -2.505 -5.046 1.00 27.56 C ATOM 2176 C ARG B 118 -2.246 -3.499 -3.898 1.00 30.99 C ATOM 2177 O ARG B 118 -3.065 -4.421 -3.902 1.00 30.98 O ATOM 2178 CB ARG B 118 -3.240 -1.417 -4.837 1.00 30.03 C ATOM 2179 CG ARG B 118 -3.040 -0.190 -5.688 1.00 31.39 C ATOM 2180 CD ARG B 118 -4.129 0.826 -5.403 1.00 30.89 C ATOM 2181 NE ARG B 118 -3.911 2.071 -6.130 1.00 30.20 N ATOM 2182 CZ ARG B 118 -4.752 3.099 -6.107 1.00 33.40 C ATOM 2183 NH1 ARG B 118 -5.869 3.029 -5.394 1.00 31.70 N ATOM 2184 NH2 ARG B 118 -4.478 4.197 -6.794 1.00 33.35 N ATOM 2185 HE ARG B 118 -3.046 2.159 -6.700 1.00 0.00 H ATOM 2186 HH12 ARG B 118 -6.526 3.835 -5.377 1.00 0.00 H ATOM 2187 HH11 ARG B 118 -6.087 2.168 -4.852 1.00 0.00 H ATOM 2188 HH22 ARG B 118 -5.138 5.001 -6.775 1.00 0.00 H ATOM 2189 HH21 ARG B 118 -3.603 4.256 -7.353 1.00 0.00 H ATOM 2190 H ARG B 118 -3.264 -3.007 -6.865 1.00 0.00 H ATOM 2191 N TYR B 119 -1.365 -3.306 -2.914 1.00 31.19 N ATOM 2192 CA TYR B 119 -1.301 -4.150 -1.715 1.00 30.41 C ATOM 2193 C TYR B 119 -1.028 -5.608 -2.064 1.00 27.61 C ATOM 2194 O TYR B 119 -1.485 -6.521 -1.376 1.00 29.45 O ATOM 2195 CB TYR B 119 -2.576 -4.025 -0.872 1.00 28.87 C ATOM 2196 CG TYR B 119 -3.116 -2.622 -0.865 1.00 30.05 C ATOM 2197 CD1 TYR B 119 -2.372 -1.578 -0.332 1.00 31.97 C ATOM 2198 CD2 TYR B 119 -4.357 -2.330 -1.418 1.00 30.00 C ATOM 2199 CE1 TYR B 119 -2.852 -0.284 -0.336 1.00 31.59 C ATOM 2200 CE2 TYR B 119 -4.843 -1.037 -1.427 1.00 35.61 C ATOM 2201 CZ TYR B 119 -4.086 -0.020 -0.882 1.00 37.94 C ATOM 2202 OH TYR B 119 -4.561 1.270 -0.882 1.00 40.29 O ATOM 2203 HH TYR B 119 -3.895 1.866 -0.456 1.00 0.00 H ATOM 2204 H TYR B 119 -0.691 -2.519 -3.001 1.00 0.00 H ATOM 2205 N HIS B 120 -0.275 -5.828 -3.135 1.00 29.72 N ATOM 2206 CA HIS B 120 0.131 -7.173 -3.511 1.00 32.96 C ATOM 2207 C HIS B 120 1.042 -7.766 -2.440 1.00 32.30 C ATOM 2208 O HIS B 120 1.952 -7.099 -1.940 1.00 28.83 O ATOM 2209 CB HIS B 120 0.845 -7.135 -4.862 1.00 27.85 C ATOM 2210 CG HIS B 120 1.088 -8.486 -5.453 1.00 35.99 C ATOM 2211 ND1 HIS B 120 0.191 -9.098 -6.301 1.00 40.00 N ATOM 2212 CD2 HIS B 120 2.120 -9.351 -5.308 1.00 40.46 C ATOM 2213 CE1 HIS B 120 0.663 -10.279 -6.660 1.00 42.73 C ATOM 2214 NE2 HIS B 120 1.831 -10.458 -6.070 1.00 40.52 N ATOM 2215 H HIS B 120 0.031 -5.022 -3.717 1.00 0.00 H ATOM 2216 N LEU B 121 0.799 -9.031 -2.094 1.00 36.74 N ATOM 2217 CA LEU B 121 1.514 -9.693 -1.009 1.00 36.70 C ATOM 2218 C LEU B 121 2.812 -10.324 -1.499 1.00 31.93 C ATOM 2219 O LEU B 121 2.866 -10.901 -2.588 1.00 38.97 O ATOM 2220 CB LEU B 121 0.634 -10.765 -0.361 1.00 46.92 C ATOM 2221 CG LEU B 121 -0.593 -10.277 0.411 1.00 48.26 C ATOM 2222 CD1 LEU B 121 -1.341 -11.450 1.026 1.00 56.70 C ATOM 2223 CD2 LEU B 121 -0.180 -9.285 1.480 1.00 44.12 C ATOM 2224 H LEU B 121 0.074 -9.564 -2.616 1.00 0.00 H ATOM 2225 N LYS B 122 3.842 -10.250 -0.673 1.00 42.74 N ATOM 2226 CA LYS B 122 5.156 -10.785 -1.011 1.00 50.24 C ATOM 2227 C LYS B 122 5.221 -12.276 -1.337 1.00 47.41 C ATOM 2228 O LYS B 122 5.860 -12.657 -2.295 1.00 46.43 O ATOM 2229 CB LYS B 122 6.166 -10.457 0.084 1.00 56.24 C ATOM 2230 CG LYS B 122 7.417 -9.767 -0.419 1.00 62.96 C ATOM 2231 H LYS B 122 3.710 -9.793 0.252 1.00 0.00 H ATOM 2232 N PRO B 123 4.590 -13.125 -0.522 1.00 49.29 N ATOM 2233 CA PRO B 123 4.661 -14.563 -0.844 1.00 57.92 C ATOM 2234 C PRO B 123 4.146 -14.908 -2.233 1.00 52.78 C ATOM 2235 O PRO B 123 4.423 -16.010 -2.722 1.00 49.14 O ATOM 2236 CB PRO B 123 3.805 -15.219 0.252 1.00 60.30 C ATOM 2237 CG PRO B 123 2.997 -14.107 0.842 1.00 60.81 C ATOM 2238 CD PRO B 123 3.873 -12.901 0.746 1.00 55.13 C ATOM 2239 N PHE B 125 3.418 -14.004 -2.886 1.00 46.69 N ATOM 2240 CA PHE B 125 2.918 -14.224 -4.234 1.00 47.12 C ATOM 2241 C PHE B 125 3.800 -13.567 -5.296 1.00 43.41 C ATOM 2242 O PHE B 125 3.326 -13.284 -6.402 1.00 42.41 O ATOM 2243 CB PHE B 125 1.472 -13.734 -4.327 1.00 44.48 C ATOM 2244 CG PHE B 125 0.548 -14.412 -3.349 1.00 54.12 C ATOM 2245 CD1 PHE B 125 0.697 -15.761 -3.057 1.00 58.18 C ATOM 2246 CD2 PHE B 125 -0.460 -13.704 -2.716 1.00 52.59 C ATOM 2247 CE1 PHE B 125 -0.144 -16.395 -2.154 1.00 58.60 C ATOM 2248 CE2 PHE B 125 -1.306 -14.331 -1.812 1.00 61.15 C ATOM 2249 CZ PHE B 125 -1.147 -15.679 -1.531 1.00 59.78 C ATOM 2250 H PHE B 125 3.198 -13.104 -2.413 1.00 0.00 H ATOM 2251 N CYS B 126 5.075 -13.337 -4.983 1.00 40.36 N ATOM 2252 CA CYS B 126 6.049 -12.783 -5.916 1.00 38.68 C ATOM 2253 C CYS B 126 7.165 -13.794 -6.134 1.00 41.47 C ATOM 2254 O CYS B 126 7.667 -14.384 -5.173 1.00 46.47 O ATOM 2255 CB CYS B 126 6.635 -11.466 -5.391 1.00 40.36 C ATOM 2256 SG CYS B 126 5.455 -10.100 -5.343 1.00 41.32 S ATOM 2257 H CYS B 126 5.393 -13.565 -4.019 1.00 0.00 H ATOM 2258 N LYS B 127 7.553 -13.993 -7.389 1.00 41.30 N ATOM 2259 CA LYS B 127 8.664 -14.891 -7.655 1.00 38.06 C ATOM 2260 C LYS B 127 9.989 -14.167 -7.435 1.00 40.92 C ATOM 2261 O LYS B 127 10.052 -12.934 -7.366 1.00 36.15 O ATOM 2262 CB LYS B 127 8.591 -15.449 -9.077 1.00 41.25 C ATOM 2263 CG LYS B 127 7.290 -15.144 -9.793 1.00 46.63 C ATOM 2264 CD LYS B 127 6.630 -16.399 -10.327 1.00 48.02 C ATOM 2265 CE LYS B 127 7.503 -17.102 -11.352 1.00 49.65 C ATOM 2266 NZ LYS B 127 6.758 -18.197 -12.032 1.00 49.13 N ATOM 2267 HZ1 LYS B 127 6.447 -18.894 -11.325 1.00 0.00 H ATOM 2268 HZ2 LYS B 127 5.928 -17.801 -12.518 1.00 0.00 H ATOM 2269 HZ3 LYS B 127 7.380 -18.659 -12.726 1.00 0.00 H ATOM 2270 H LYS B 127 7.067 -13.511 -8.172 1.00 0.00 H ATOM 2271 N LYS B 129 11.052 -14.958 -7.303 1.00 41.49 N ATOM 2272 CA LYS B 129 12.378 -14.409 -7.053 1.00 41.93 C ATOM 2273 C LYS B 129 12.811 -13.526 -8.215 1.00 41.25 C ATOM 2274 O LYS B 129 12.702 -13.917 -9.380 1.00 47.03 O ATOM 2275 CB LYS B 129 13.385 -15.543 -6.848 1.00 49.22 C ATOM 2276 CG LYS B 129 14.781 -15.089 -6.449 1.00 55.48 C ATOM 2277 CD LYS B 129 15.090 -15.451 -5.003 1.00 59.32 C ATOM 2278 H LYS B 129 10.933 -15.988 -7.380 1.00 0.00 H ATOM 2279 N ALA B 130 13.295 -12.331 -7.898 1.00 42.52 N ATOM 2280 CA ALA B 130 13.772 -11.424 -8.930 1.00 40.45 C ATOM 2281 C ALA B 130 15.138 -11.865 -9.435 1.00 43.71 C ATOM 2282 O ALA B 130 15.907 -12.522 -8.727 1.00 41.23 O ATOM 2283 CB ALA B 130 13.848 -9.993 -8.400 1.00 43.83 C ATOM 2284 H ALA B 130 13.333 -12.040 -6.900 1.00 0.00 H ATOM 2285 N ASP B 131 15.429 -11.510 -10.683 1.00 46.30 N ATOM 2286 CA ASP B 131 16.747 -11.746 -11.236 1.00 45.86 C ATOM 2287 C ASP B 131 17.756 -10.808 -10.583 1.00 48.61 C ATOM 2288 O ASP B 131 17.384 -9.774 -10.025 1.00 48.12 O ATOM 2289 CB ASP B 131 16.743 -11.532 -12.749 1.00 45.62 C ATOM 2290 CG ASP B 131 15.947 -12.588 -13.490 1.00 50.31 C ATOM 2291 OD1 ASP B 131 15.698 -13.664 -12.907 1.00 48.03 O ATOM 2292 OD2 ASP B 131 15.582 -12.343 -14.662 1.00 53.72 O ATOM 2293 H ASP B 131 14.700 -11.057 -11.270 1.00 0.00 H ATOM 2294 N PRO B 132 19.042 -11.157 -10.623 1.00 50.64 N ATOM 2295 CA PRO B 132 20.068 -10.193 -10.215 1.00 51.33 C ATOM 2296 C PRO B 132 19.994 -8.944 -11.078 1.00 52.75 C ATOM 2297 O PRO B 132 19.648 -8.999 -12.259 1.00 60.25 O ATOM 2298 CB PRO B 132 21.382 -10.951 -10.439 1.00 53.54 C ATOM 2299 CG PRO B 132 21.002 -12.396 -10.382 1.00 53.60 C ATOM 2300 CD PRO B 132 19.611 -12.478 -10.942 1.00 51.45 C ATOM 2301 N CYS B 133 20.312 -7.805 -10.474 1.00 56.50 N ATOM 2302 CA CYS B 133 20.284 -6.541 -11.202 1.00 66.55 C ATOM 2303 C CYS B 133 21.341 -6.515 -12.297 1.00 74.08 C ATOM 2304 O CYS B 133 22.418 -7.091 -12.148 1.00 76.37 O ATOM 2305 CB CYS B 133 20.488 -5.365 -10.249 1.00 66.55 C ATOM 2306 SG CYS B 133 19.088 -5.036 -9.169 1.00 61.38 S ATOM 2307 OXT CYS B 133 21.139 -5.916 -13.354 1.00 79.45 O ATOM 2308 H CYS B 133 20.584 -7.814 -9.470 1.00 0.00 H TER 2309 CYS B 133 HETATM 2310 O HOH 1 -6.373 -4.133 5.293 1.00 26.50 O HETATM 2311 O HOH 2 -5.604 -26.604 -0.079 1.00 53.12 O HETATM 2312 O HOH 3 16.836 -0.766 8.619 1.00 49.13 O HETATM 2313 O HOH 4 19.199 -17.358 13.838 1.00 43.10 O HETATM 2314 O HOH 5 -6.927 -21.077 0.610 1.00 41.07 O HETATM 2315 O HOH 6 6.181 -20.848 7.695 1.00 41.61 O HETATM 2316 O HOH 7 19.235 -16.122 16.732 1.00 42.90 O HETATM 2317 O HOH 8 -9.261 6.073 15.836 1.00 30.45 O HETATM 2318 O HOH 9 -7.493 -11.358 15.232 1.00 31.97 O HETATM 2319 O HOH 10 -12.683 0.289 12.757 1.00 46.78 O HETATM 2320 O HOH 11 -3.832 -25.531 21.043 1.00 40.52 O HETATM 2321 O HOH 12 7.011 -8.911 22.268 1.00 24.59 O HETATM 2322 O HOH 13 19.982 -1.519 13.951 1.00 49.49 O HETATM 2323 O HOH 14 16.933 -17.101 11.446 1.00 46.10 O HETATM 2324 O HOH 15 -6.781 -7.614 0.811 1.00 53.22 O HETATM 2325 O HOH 16 13.734 -20.877 15.579 1.00 42.31 O HETATM 2326 O HOH 17 5.417 10.736 9.610 1.00 48.63 O HETATM 2327 O HOH 18 1.011 -13.625 19.478 1.00 27.09 O HETATM 2328 O HOH 19 11.979 -7.088 11.279 1.00 22.18 O HETATM 2329 O HOH 20 -5.683 1.445 23.188 1.00 22.33 O HETATM 2330 O HOH 21 13.853 3.921 21.669 1.00 47.29 O HETATM 2331 O HOH 22 -2.544 -25.509 -2.341 1.00 45.98 O HETATM 2332 O HOH 23 -2.504 -11.417 22.876 1.00 52.70 O HETATM 2333 O HOH 24 20.985 -0.658 21.743 1.00 43.22 O HETATM 2334 O HOH 25 4.547 -7.040 4.305 1.00 54.56 O HETATM 2335 O HOH 26 -5.467 -1.729 14.262 1.00 18.48 O HETATM 2336 O HOH 27 -11.362 -2.448 12.601 1.00 38.82 O HETATM 2337 O HOH 28 -5.340 1.566 2.218 1.00 37.65 O HETATM 2338 O HOH 29 3.827 5.217 4.469 1.00 35.69 O HETATM 2339 O HOH 30 -1.248 1.726 2.382 1.00 42.48 O HETATM 2340 O HOH 31 12.587 3.579 14.015 1.00 31.13 O HETATM 2341 O HOH 32 9.296 1.243 22.104 1.00 41.50 O HETATM 2342 O HOH 33 1.957 -5.257 22.209 1.00 26.78 O HETATM 2343 O HOH 34 4.788 -21.740 12.893 1.00 44.91 O HETATM 2344 O HOH 35 19.060 -12.081 9.738 1.00 29.47 O HETATM 2345 O HOH 36 -8.073 -8.858 20.235 1.00 39.46 O HETATM 2346 O HOH 37 0.457 -24.937 17.931 1.00 45.85 O HETATM 2347 O HOH 38 4.580 1.398 3.686 1.00 29.29 O HETATM 2348 O HOH 39 18.009 0.436 14.518 1.00 48.42 O HETATM 2349 O HOH 40 -13.194 3.792 14.196 1.00 44.68 O HETATM 2350 O HOH 41 11.425 6.101 12.900 1.00 39.58 O HETATM 2351 O HOH 42 -4.392 -14.693 9.426 1.00 38.79 O HETATM 2352 O HOH 43 4.594 11.846 20.589 1.00 43.23 O HETATM 2353 O HOH 44 12.884 -10.359 3.877 1.00 36.90 O HETATM 2354 O HOH 45 7.288 -17.803 10.666 1.00 33.87 O HETATM 2355 O HOH 46 2.621 -13.836 23.896 1.00 39.22 O HETATM 2356 O HOH 47 -0.312 2.162 -0.588 1.00 38.88 O HETATM 2357 O HOH 48 -6.917 3.008 16.484 1.00 21.03 O HETATM 2358 O HOH 49 0.123 14.455 14.855 1.00 39.49 O HETATM 2359 O HOH 50 9.403 12.121 11.395 1.00 45.64 O HETATM 2360 O HOH 51 -7.322 -2.784 9.747 1.00 42.03 O HETATM 2361 O HOH 52 -2.901 -1.223 23.025 1.00 60.74 O HETATM 2362 O HOH 53 6.880 -12.430 23.932 1.00 30.18 O HETATM 2363 O HOH 54 8.570 13.774 14.811 1.00 40.84 O HETATM 2364 O HOH 55 -1.540 1.744 21.318 1.00 26.05 O HETATM 2365 O HOH 56 -7.686 4.991 19.560 1.00 26.00 O HETATM 2366 O HOH 57 5.195 17.249 9.995 1.00 53.24 O HETATM 2367 O HOH 58 12.116 -5.815 21.784 1.00 32.47 O HETATM 2368 O HOH 59 -6.811 -10.537 4.469 1.00 44.32 O HETATM 2369 O HOH 60 -2.410 2.208 5.460 1.00 28.10 O HETATM 2370 O HOH 61 9.593 3.222 8.335 1.00 45.77 O HETATM 2371 O HOH 62 -4.988 -9.270 0.710 1.00 33.85 O HETATM 2372 O HOH 63 6.712 -2.721 19.240 1.00 22.04 O HETATM 2373 O HOH 64 8.043 -14.686 21.755 1.00 33.13 O HETATM 2374 O HOH 65 -0.528 8.011 6.739 1.00 37.53 O HETATM 2375 O HOH 66 2.312 -20.717 22.646 1.00 38.63 O HETATM 2376 O HOH 67 5.920 1.056 13.075 1.00 33.30 O HETATM 2377 O HOH 68 -3.870 -16.870 21.225 1.00 45.42 O HETATM 2378 O HOH 69 2.509 7.320 8.404 1.00 37.06 O HETATM 2379 O HOH 70 0.681 -6.320 2.301 1.00 49.43 O HETATM 2380 O HOH 71 5.395 1.402 10.442 1.00 35.56 O HETATM 2381 O HOH 72 4.094 -1.776 19.271 1.00 20.05 O HETATM 2382 O HOH 73 -13.127 3.329 9.703 1.00 35.44 O HETATM 2383 O HOH 74 21.848 -10.076 14.305 1.00 40.38 O HETATM 2384 O HOH 75 10.072 -20.407 17.927 1.00 42.12 O HETATM 2385 O HOH 76 -0.526 -6.517 24.754 1.00 53.30 O HETATM 2386 O HOH 77 4.650 -18.579 11.414 1.00 43.47 O HETATM 2387 O HOH 78 -9.752 -1.595 20.150 1.00 37.52 O HETATM 2388 O HOH 79 23.069 -9.221 19.054 1.00 31.45 O HETATM 2389 O HOH 80 19.812 -4.589 20.475 1.00 43.62 O HETATM 2390 O HOH 81 11.358 -2.792 24.421 1.00 54.97 O HETATM 2391 O HOH 82 5.109 7.095 9.136 1.00 31.57 O HETATM 2392 O HOH 83 0.646 -18.015 8.500 1.00 47.84 O HETATM 2393 O HOH 84 24.020 -9.464 16.592 1.00 42.15 O HETATM 2394 O HOH 85 -3.209 2.865 23.257 1.00 22.18 O HETATM 2395 O HOH 86 -10.967 8.264 15.281 1.00 32.34 O HETATM 2396 O HOH 87 10.964 12.844 15.527 1.00 47.96 O HETATM 2397 O HOH 88 0.055 8.328 24.831 1.00 32.69 O HETATM 2398 O HOH 89 -8.234 9.640 18.780 1.00 37.18 O HETATM 2399 O HOH 90 7.852 -20.173 9.218 1.00 45.41 O HETATM 2400 O HOH 91 21.610 -18.014 16.524 1.00 40.33 O HETATM 2401 O HOH 92 7.159 -24.463 13.686 1.00 47.55 O HETATM 2402 O HOH 93 13.985 -3.306 21.445 1.00 43.75 O HETATM 2403 O HOH 94 -9.950 -2.304 10.166 1.00 44.29 O HETATM 2404 O HOH 95 -4.338 -10.156 3.131 1.00 43.88 O HETATM 2405 O HOH 96 9.222 -5.478 22.709 1.00 35.72 O HETATM 2406 O HOH 97 11.020 5.105 9.230 1.00 44.14 O HETATM 2407 O HOH 98 3.537 9.560 21.988 1.00 40.24 O HETATM 2408 O HOH 99 2.897 -2.403 21.745 1.00 46.53 O HETATM 2409 O HOH 100 1.111 1.405 1.306 1.00 43.75 O HETATM 2410 O HOH 101 -5.467 -18.618 21.818 1.00 59.28 O HETATM 2411 O HOH 102 7.929 -6.974 23.913 1.00 39.16 O HETATM 2412 O HOH 103 4.682 -8.994 23.030 1.00 33.68 O HETATM 2413 O HOH 104 5.957 0.549 5.731 1.00 47.62 O HETATM 2414 O HOH 105 23.524 -4.396 22.426 1.00 45.12 O HETATM 2415 O HOH 106 2.259 6.932 25.262 1.00 34.07 O HETATM 2416 O HOH 107 25.967 -3.906 20.472 1.00 51.78 O HETATM 2417 O HOH 108 -13.307 5.281 17.999 1.00 34.12 O HETATM 2418 O HOH 109 0.015 -4.567 26.373 1.00 44.32 O HETATM 2419 O HOH 110 -14.631 4.676 7.514 1.00 48.97 O HETATM 2420 O HOH 111 7.845 -3.014 21.720 1.00 30.33 O HETATM 2421 O HOH 112 3.314 -6.903 23.814 1.00 42.71 O HETATM 2422 O HOH 113 11.759 2.594 11.806 1.00 42.64 O HETATM 2423 O HOH 114 3.974 -19.409 23.930 1.00 55.87 O HETATM 2424 O HOH 115 -1.707 2.067 25.299 1.00 29.28 O HETATM 2425 O HOH 116 2.463 3.266 24.244 1.00 35.24 O HETATM 2426 O HOH 117 5.470 -3.007 23.621 1.00 37.83 O HETATM 2427 O HOH 118 1.607 -1.157 23.304 1.00 38.02 O HETATM 2428 O HOH 119 6.223 -1.055 25.243 1.00 54.95 O HETATM 2429 O HOH 120 22.106 16.146 -15.546 1.00 56.81 O HETATM 2430 O HOH 121 15.280 30.347 -12.079 1.00 50.67 O HETATM 2431 O HOH 122 8.194 -2.246 -18.940 1.00 35.85 O HETATM 2432 O HOH 123 17.781 -8.056 -13.459 1.00 46.29 O HETATM 2433 O HOH 124 8.175 10.464 -21.867 1.00 42.88 O HETATM 2434 O HOH 125 22.004 -2.381 -9.899 1.00 42.82 O HETATM 2435 O HOH 126 3.034 6.688 -22.350 1.00 29.75 O HETATM 2436 O HOH 127 1.645 -10.091 -14.532 1.00 42.27 O HETATM 2437 O HOH 128 1.584 -0.791 -15.532 1.00 30.82 O HETATM 2438 O HOH 129 26.176 18.702 -4.827 1.00 33.09 O HETATM 2439 O HOH 130 18.211 13.828 -16.423 1.00 40.54 O HETATM 2440 O HOH 131 6.061 0.784 -21.621 1.00 22.84 O HETATM 2441 O HOH 132 17.543 -1.360 -3.878 1.00 28.91 O HETATM 2442 O HOH 133 17.237 10.456 -14.698 1.00 28.64 O HETATM 2443 O HOH 134 0.951 9.077 -19.120 1.00 37.32 O HETATM 2444 O HOH 135 11.148 15.410 -15.719 1.00 25.03 O HETATM 2445 O HOH 136 5.567 2.228 1.129 1.00 38.45 O HETATM 2446 O HOH 137 22.226 15.224 1.662 1.00 41.23 O HETATM 2447 O HOH 138 4.964 -1.485 0.488 1.00 34.00 O HETATM 2448 O HOH 139 24.431 3.923 -1.230 1.00 55.13 O HETATM 2449 O HOH 140 0.624 5.095 -20.362 1.00 34.56 O HETATM 2450 O HOH 141 2.099 4.184 -13.373 1.00 20.34 O HETATM 2451 O HOH 142 16.058 9.703 -2.563 1.00 29.67 O HETATM 2452 O HOH 143 13.597 23.214 -21.622 1.00 52.65 O HETATM 2453 O HOH 144 26.893 12.031 -1.039 1.00 43.80 O HETATM 2454 O HOH 145 2.292 0.735 -19.926 1.00 24.89 O HETATM 2455 O HOH 146 -7.949 7.803 -0.040 1.00 57.03 O HETATM 2456 O HOH 147 13.414 -11.541 -4.982 1.00 39.19 O HETATM 2457 O HOH 148 -8.707 -3.364 -11.534 1.00 52.08 O HETATM 2458 O HOH 149 -1.184 -3.909 -15.586 1.00 30.87 O HETATM 2459 O HOH 150 1.324 13.358 -16.438 1.00 33.00 O HETATM 2460 O HOH 151 12.652 6.441 -16.911 1.00 24.99 O HETATM 2461 O HOH 152 18.221 16.534 -14.053 1.00 32.58 O HETATM 2462 O HOH 153 18.053 22.313 -10.367 1.00 31.37 O HETATM 2463 O HOH 154 9.492 -7.872 -3.319 1.00 50.58 O HETATM 2464 O HOH 155 14.099 7.309 -1.353 1.00 38.87 O HETATM 2465 O HOH 156 9.469 1.626 -4.451 1.00 36.44 O HETATM 2466 O HOH 157 14.790 15.583 -18.755 1.00 46.68 O HETATM 2467 O HOH 158 2.460 -3.726 -18.431 1.00 33.36 O HETATM 2468 O HOH 159 8.620 -0.284 -17.232 1.00 26.97 O HETATM 2469 O HOH 160 21.007 23.395 -6.707 1.00 35.89 O HETATM 2470 O HOH 161 12.573 29.447 -14.053 1.00 43.08 O HETATM 2471 O HOH 162 0.012 1.505 -3.380 1.00 31.76 O HETATM 2472 O HOH 163 21.062 7.443 -11.666 1.00 32.05 O HETATM 2473 O HOH 164 15.118 4.603 -11.552 1.00 27.11 O HETATM 2474 O HOH 165 6.326 -12.191 -9.282 1.00 35.13 O HETATM 2475 O HOH 166 11.253 1.451 -6.281 1.00 35.76 O HETATM 2476 O HOH 167 -3.107 -5.356 -15.705 1.00 42.21 O HETATM 2477 O HOH 168 -7.369 -0.045 -12.065 1.00 38.50 O HETATM 2478 O HOH 169 5.177 -3.834 -3.028 1.00 44.75 O HETATM 2479 O HOH 170 9.938 26.878 -15.657 1.00 41.69 O HETATM 2480 O HOH 171 -3.078 11.743 -13.392 1.00 57.28 O HETATM 2481 O HOH 172 12.919 3.585 -12.848 1.00 19.96 O HETATM 2482 O HOH 173 8.085 -4.020 -2.941 1.00 43.28 O HETATM 2483 O HOH 174 11.365 28.283 -12.090 1.00 48.20 O HETATM 2484 O HOH 175 -6.076 -3.958 -4.601 1.00 52.68 O HETATM 2485 O HOH 176 18.716 0.132 -12.767 1.00 39.22 O HETATM 2486 O HOH 177 15.688 -9.407 -15.253 1.00 43.18 O HETATM 2487 O HOH 178 3.420 19.089 -11.730 1.00 43.87 O HETATM 2488 O HOH 179 -1.672 -10.461 -3.033 1.00 46.80 O HETATM 2489 O HOH 180 17.772 22.730 -7.750 1.00 46.04 O HETATM 2490 O HOH 181 9.735 21.247 -7.059 1.00 38.15 O HETATM 2491 O HOH 182 -4.307 5.086 -14.602 1.00 47.12 O HETATM 2492 O HOH 183 -7.157 1.184 -3.238 1.00 55.10 O HETATM 2493 O HOH 184 6.952 21.799 -21.124 1.00 49.68 O HETATM 2494 O HOH 185 17.877 25.171 -11.882 1.00 45.70 O HETATM 2495 O HOH 186 3.829 4.478 1.588 1.00 40.38 O HETATM 2496 O HOH 187 11.254 -0.492 -16.583 1.00 27.82 O HETATM 2497 O HOH 188 0.647 2.290 -20.916 1.00 38.43 O HETATM 2498 O HOH 189 13.308 -8.947 -14.350 1.00 46.46 O HETATM 2499 O HOH 190 3.248 -0.480 2.414 1.00 36.88 O HETATM 2500 O HOH 191 12.506 -6.365 -15.247 1.00 52.36 O HETATM 2501 O HOH 192 19.206 6.627 -13.456 1.00 31.02 O HETATM 2502 O HOH 193 2.625 -1.954 -20.772 1.00 31.79 O HETATM 2503 O HOH 194 13.442 3.963 -15.572 1.00 28.14 O HETATM 2504 O HOH 195 -0.023 22.554 -22.081 1.00 36.32 O HETATM 2505 O HOH 196 18.603 8.303 -15.606 1.00 36.10 O HETATM 2506 O HOH 197 27.160 9.329 -14.112 1.00 58.53 O HETATM 2507 O HOH 198 15.649 10.585 -16.531 1.00 40.14 O HETATM 2508 O HOH 199 20.006 -5.497 -17.400 1.00 38.54 O HETATM 2509 O HOH 200 -7.810 11.680 -11.348 1.00 53.88 O HETATM 2510 O HOH 201 5.278 7.046 -23.723 1.00 26.34 O HETATM 2511 O HOH 202 -9.759 -1.351 -11.075 1.00 54.92 O HETATM 2512 O HOH 203 0.045 -4.890 -18.031 1.00 37.11 O HETATM 2513 O HOH 204 17.367 4.568 -13.357 1.00 30.73 O HETATM 2514 O HOH 205 23.038 8.650 -13.335 1.00 43.74 O HETATM 2515 O HOH 206 16.169 4.488 -15.902 1.00 31.05 O HETATM 2516 O HOH 207 6.573 19.205 -23.289 1.00 63.77 O HETATM 2517 O HOH 208 19.067 1.642 -16.578 1.00 43.72 O HETATM 2518 C1 GKP A 209 2.557 -12.768 4.102 1.00 -0.07 C HETATM 2519 C2 GKP A 209 2.052 -11.474 4.014 1.00 -0.03 C HETATM 2520 C3 GKP A 209 2.899 -10.388 4.199 1.00 0.12 C HETATM 2521 C4 GKP A 209 4.331 -10.637 4.487 1.00 0.12 C HETATM 2522 C5 GKP A 209 4.786 -11.942 4.565 1.00 -0.03 C HETATM 2523 C6 GKP A 209 3.905 -12.999 4.375 1.00 -0.03 C HETATM 2524 C7 GKP A 209 4.432 -14.380 4.462 1.00 -0.05 C HETATM 2525 C8 GKP A 209 3.653 -15.421 4.202 1.00 0.02 C HETATM 2526 C9 GKP A 209 4.206 -16.785 4.285 1.00 0.25 C HETATM 2527 O1 GKP A 209 5.265 -17.014 4.849 1.00 -0.37 O HETATM 2528 O2 GKP A 209 3.478 -17.875 3.669 1.00 -0.26 O HETATM 2529 C10 GKP A 209 4.233 -19.084 3.654 1.00 0.18 C HETATM 2530 C11 GKP A 209 4.118 -19.771 4.986 1.00 0.07 C HETATM 2531 O3 GKP A 209 3.037 -19.916 5.536 1.00 -0.57 O HETATM 2532 O4 GKP A 209 5.213 -20.227 5.589 1.00 -0.57 O HETATM 2533 C12 GKP A 209 3.684 -19.963 2.539 1.00 0.18 C HETATM 2534 C22 GKP A 209 3.881 -19.241 1.241 1.00 0.07 C HETATM 2535 O10 GKP A 209 4.989 -19.427 0.528 1.00 -0.57 O HETATM 2536 O9 GKP A 209 3.028 -18.472 0.828 1.00 -0.57 O HETATM 2537 O5 GKP A 209 2.286 -20.119 2.744 1.00 -0.26 O HETATM 2538 C13 GKP A 209 1.758 -21.285 2.060 1.00 0.25 C HETATM 2539 C14 GKP A 209 0.300 -21.502 2.036 1.00 0.02 C HETATM 2540 C15 GKP A 209 -0.225 -22.386 1.196 1.00 -0.05 C HETATM 2541 C16 GKP A 209 -1.689 -22.597 1.163 1.00 -0.03 C HETATM 2542 C17 GKP A 209 -2.206 -23.679 0.457 1.00 -0.03 C HETATM 2543 C18 GKP A 209 -3.577 -23.883 0.410 1.00 0.12 C HETATM 2544 C19 GKP A 209 -4.471 -22.934 1.118 1.00 0.12 C HETATM 2545 C20 GKP A 209 -3.912 -21.866 1.809 1.00 -0.03 C HETATM 2546 C21 GKP A 209 -2.529 -21.701 1.823 1.00 -0.07 C HETATM 2547 H9 GKP A 209 -2.098 -20.861 2.356 1.00 0.05 H HETATM 2548 H8 GKP A 209 -4.549 -21.164 2.335 1.00 0.05 H HETATM 2549 O7 GKP A 209 -5.820 -23.109 1.089 1.00 -0.33 O HETATM 2550 H15 GKP A 209 -6.229 -22.347 0.695 1.00 0.25 H HETATM 2551 O8 GKP A 209 -4.094 -24.942 -0.273 1.00 -0.34 O HETATM 2552 H16 GKP A 209 -4.582 -25.495 0.325 1.00 0.24 H HETATM 2553 H6 GKP A 209 -1.538 -24.362 -0.056 1.00 0.05 H HETATM 2554 H5 GKP A 209 0.422 -22.956 0.531 1.00 0.07 H HETATM 2555 H4 GKP A 209 -0.346 -20.938 2.707 1.00 0.06 H HETATM 2556 O6 GKP A 209 2.524 -22.062 1.509 1.00 -0.37 O HETATM 2557 H3 GKP A 209 4.189 -20.940 2.526 1.00 0.09 H HETATM 2558 H2 GKP A 209 5.291 -18.858 3.456 1.00 0.09 H HETATM 2559 H12 GKP A 209 2.610 -15.269 3.929 1.00 0.06 H HETATM 2560 H11 GKP A 209 5.471 -14.543 4.743 1.00 0.07 H HETATM 2561 H10 GKP A 209 5.831 -12.139 4.775 1.00 0.05 H HETATM 2562 O11 GKP A 209 5.185 -9.598 4.674 1.00 -0.34 O HETATM 2563 H13 GKP A 209 4.710 -8.780 4.586 1.00 0.24 H HETATM 2564 O12 GKP A 209 2.434 -9.110 4.120 1.00 -0.33 O HETATM 2565 H14 GKP A 209 2.892 -8.650 3.427 1.00 0.25 H HETATM 2566 H7 GKP A 209 1.001 -11.314 3.802 1.00 0.05 H HETATM 2567 H1 GKP A 209 1.891 -13.611 3.956 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 239 238 1105 CONECT 257 256 399 CONECT 392 391 880 CONECT 399 257 398 CONECT 452 451 1155 CONECT 459 458 822 CONECT 529 528 757 CONECT 706 705 805 CONECT 757 529 756 CONECT 805 706 804 CONECT 822 459 821 CONECT 880 392 879 CONECT 1105 239 1104 CONECT 1155 452 1154 CONECT 1159 1160 1166 1167 1168 CONECT 1166 1159 CONECT 1167 1159 CONECT 1168 1159 CONECT 1397 1396 2256 CONECT 1415 1414 1555 CONECT 1548 1547 2037 CONECT 1555 1415 1554 CONECT 1608 1607 2306 CONECT 1615 1614 1979 CONECT 1679 1678 1914 CONECT 1863 1862 1962 CONECT 1914 1679 1913 CONECT 1962 1863 1961 CONECT 1979 1615 1978 CONECT 2037 1548 2036 CONECT 2256 1397 2255 CONECT 2306 1608 2305 CONECT 2518 2519 2523 2567 CONECT 2519 2518 2520 2566 CONECT 2520 2519 2521 2564 CONECT 2521 2520 2522 2562 CONECT 2522 2521 2523 2561 CONECT 2523 2518 2522 2524 CONECT 2524 2523 2525 2560 CONECT 2525 2524 2526 2559 CONECT 2526 2525 2527 2528 CONECT 2527 2526 CONECT 2528 2526 2529 CONECT 2529 2528 2530 2533 2558 CONECT 2530 2529 2531 2532 CONECT 2531 2530 CONECT 2532 2530 CONECT 2533 2529 2534 2537 2557 CONECT 2534 2533 2535 2536 CONECT 2535 2534 CONECT 2536 2534 CONECT 2537 2533 2538 CONECT 2538 2537 2539 2556 CONECT 2539 2538 2540 2555 CONECT 2540 2539 2541 2554 CONECT 2541 2540 2542 2546 CONECT 2542 2541 2543 2553 CONECT 2543 2542 2544 2551 CONECT 2544 2543 2545 2549 CONECT 2545 2544 2546 2548 CONECT 2546 2541 2545 2547 CONECT 2547 2546 CONECT 2548 2545 CONECT 2549 2544 2550 CONECT 2550 2549 CONECT 2551 2543 2552 CONECT 2552 2551 CONECT 2553 2542 CONECT 2554 2540 CONECT 2555 2539 CONECT 2556 2538 CONECT 2557 2533 CONECT 2558 2529 CONECT 2559 2525 CONECT 2560 2524 CONECT 2561 2522 CONECT 2562 2521 2563 CONECT 2563 2562 CONECT 2564 2520 2565 CONECT 2565 2564 CONECT 2566 2519 CONECT 2567 2518 MASTER 0 0 0 0 0 0 0 0 2565 2 86 20 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 6dik
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4yv5
RCSB PDB
PDBbind
122aa, >4YV5_1|Chains... *
5vfj
RCSB PDB
PDBbind
121aa, >5VFJ_1|Chains... at 95%
5vfm
RCSB PDB
PDBbind
121aa, >5VFM_1|Chains... at 95%
5vfn
RCSB PDB
PDBbind
121aa, >5VFN_1|Chains... at 95%
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
6dik
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Basic phospholipase A2 homolog bothropstoxin-1
Ligand Name
GKP
EC.Number
E.C.-.-.-.-
Resolution
1.93(Å)
Affinity (Kd/Ki/IC50)
Kd=8.47uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Biochim Biophys Acta Gen Subj Vol. 1862: pp. 2728-2737
Ligand Properties
Formula
C
2
2
H
1
8
O
1
2
Molecular Weight
474.371
Exact Mass
474.080
No. of atoms
52
No. of bonds
53
Polar Surface Area
208.12
LOGP Value
3.78 (
Computed with XLOGP3
)
1.23 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 2
Canonical SMILES
O=C(O[C@H]([C@H](C(=O)O)OC(=O)/C=C/c1ccc(c(c1)O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O
InChI String
InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q90249
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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