Browse entries in the PDBbind-CN Database
HEADER 4PMP_COMPLEX COMPND 4PMP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 33 CYS VAL HIS HIS ILE LYS ARG ARG ASP ILE VAL LEU LYS SEQRES 2 A 33 TRP GLU LEU GLY GLU GLY ALA PHE GLY LYS VAL PHE LEU SEQRES 3 A 33 ALA GLU CYS HIS ASN LEU LEU SEQRES 1 A 10 LYS MET LEU VAL ALA VAL LYS ALA LEU LYS SEQRES 1 A 122 SER ALA ARG GLN ASP PHE GLN ARG GLU ALA GLU LEU LEU SEQRES 2 A 122 THR MET LEU GLN HIS GLN HIS ILE VAL ARG PHE PHE GLY SEQRES 3 A 122 VAL CYS THR GLU GLY ARG PRO LEU LEU MET VAL PHE GLU SEQRES 4 A 122 TYR MET ARG HIS GLY ASP LEU ASN ARG PHE LEU ARG SER SEQRES 5 A 122 HIS GLY PRO ASP ALA LYS LEU LEU ALA GLY GLY GLU ASP SEQRES 6 A 122 VAL ALA PRO GLY PRO LEU GLY LEU GLY GLN LEU LEU ALA SEQRES 7 A 122 VAL ALA SER GLN VAL ALA ALA GLY MET VAL TYR LEU ALA SEQRES 8 A 122 GLY LEU HIS PHE VAL HIS ARG ASP LEU ALA THR ARG ASN SEQRES 9 A 122 CYS LEU VAL GLY GLN GLY LEU VAL VAL LYS ILE GLY ASP SEQRES 10 A 122 PHE GLY MET SER ARG SEQRES 1 A 10 ILE TYR SER THR ASP TYR TYR ARG VAL GLY SEQRES 1 A 105 THR MET LEU PRO ILE ARG TRP MET PRO PRO GLU SER ILE SEQRES 2 A 105 LEU TYR ARG LYS PHE THR THR GLU SER ASP VAL TRP SER SEQRES 3 A 105 PHE GLY VAL VAL LEU TRP GLU ILE PHE THR TYR GLY LYS SEQRES 4 A 105 GLN PRO TRP TYR GLN LEU SER ASN THR GLU ALA ILE ASP SEQRES 5 A 105 CYS ILE THR GLN GLY ARG GLU LEU GLU ARG PRO ARG ALA SEQRES 6 A 105 CYS PRO PRO GLU VAL TYR ALA ILE MET ARG GLY CYS TRP SEQRES 7 A 105 GLN ARG GLU PRO GLN GLN ARG HIS SER ILE LYS ASP VAL SEQRES 8 A 105 HIS ALA ARG LEU GLN ALA LEU ALA GLN ALA HIS HIS HIS SEQRES 9 A 105 HIS HET UNN A 452 48 ATOM 1 N CYS A 501 50.097 -44.142 -11.989 1.00 58.58 N ATOM 2 CA CYS A 501 49.965 -43.438 -10.711 1.00 57.98 C ATOM 3 C CYS A 501 48.505 -43.378 -10.220 1.00 56.38 C ATOM 4 O CYS A 501 48.268 -43.250 -9.015 1.00 55.95 O ATOM 5 CB CYS A 501 50.592 -42.047 -10.791 1.00 59.43 C ATOM 6 SG CYS A 501 50.808 -41.232 -9.184 1.00 64.16 S ATOM 7 HN3 CYS A 501 49.534 -43.652 -12.713 1.00 0.00 H ATOM 8 HN2 CYS A 501 49.753 -45.118 -11.883 1.00 0.00 H ATOM 9 HN1 CYS A 501 51.097 -44.155 -12.275 1.00 0.00 H ATOM 10 N VAL A 502 47.540 -43.479 -11.151 1.00 49.01 N ATOM 11 CA VAL A 502 46.099 -43.443 -10.876 1.00 47.09 C ATOM 12 C VAL A 502 45.673 -44.718 -10.116 1.00 49.20 C ATOM 13 O VAL A 502 45.932 -45.822 -10.594 1.00 48.83 O ATOM 14 CB VAL A 502 45.272 -43.223 -12.180 1.00 50.28 C ATOM 15 CG1 VAL A 502 43.771 -43.213 -11.902 1.00 49.78 C ATOM 16 CG2 VAL A 502 45.688 -41.935 -12.893 1.00 50.12 C ATOM 17 H VAL A 502 47.838 -43.591 -12.141 1.00 0.00 H ATOM 18 N HIS A 503 45.031 -44.560 -8.938 1.00 43.74 N ATOM 19 CA HIS A 503 44.560 -45.686 -8.130 1.00 42.84 C ATOM 20 C HIS A 503 43.297 -46.283 -8.736 1.00 43.59 C ATOM 21 O HIS A 503 42.376 -45.548 -9.088 1.00 42.68 O ATOM 22 CB HIS A 503 44.334 -45.290 -6.655 1.00 43.82 C ATOM 23 CG HIS A 503 43.765 -46.392 -5.807 1.00 47.42 C ATOM 24 ND1 HIS A 503 44.469 -47.566 -5.572 1.00 49.48 N ATOM 25 CD2 HIS A 503 42.574 -46.465 -5.168 1.00 49.47 C ATOM 26 CE1 HIS A 503 43.686 -48.308 -4.805 1.00 49.08 C ATOM 27 NE2 HIS A 503 42.536 -47.686 -4.532 1.00 49.48 N ATOM 28 H HIS A 503 44.864 -43.595 -8.589 1.00 0.00 H ATOM 29 N HIS A 504 43.259 -47.624 -8.854 1.00 38.71 N ATOM 30 CA HIS A 504 42.118 -48.349 -9.408 1.00 38.25 C ATOM 31 C HIS A 504 41.310 -49.008 -8.297 1.00 42.29 C ATOM 32 O HIS A 504 41.883 -49.495 -7.325 1.00 42.47 O ATOM 33 CB HIS A 504 42.566 -49.339 -10.499 1.00 38.64 C ATOM 34 CG HIS A 504 42.921 -48.650 -11.780 1.00 41.16 C ATOM 35 ND1 HIS A 504 42.004 -48.521 -12.807 1.00 42.45 N ATOM 36 CD2 HIS A 504 44.066 -48.020 -12.135 1.00 42.59 C ATOM 37 CE1 HIS A 504 42.624 -47.842 -13.760 1.00 41.90 C ATOM 38 NE2 HIS A 504 43.867 -47.519 -13.401 1.00 42.24 N ATOM 39 H HIS A 504 44.084 -48.171 -8.535 1.00 0.00 H ATOM 40 N ILE A 505 39.979 -48.977 -8.425 1.00 39.40 N ATOM 41 CA ILE A 505 39.023 -49.506 -7.444 1.00 40.56 C ATOM 42 C ILE A 505 38.121 -50.547 -8.118 1.00 45.71 C ATOM 43 O ILE A 505 37.593 -50.291 -9.200 1.00 45.74 O ATOM 44 CB ILE A 505 38.204 -48.316 -6.800 1.00 43.63 C ATOM 45 CG1 ILE A 505 39.142 -47.342 -6.025 1.00 43.69 C ATOM 46 CG2 ILE A 505 37.047 -48.815 -5.896 1.00 44.46 C ATOM 47 CD1 ILE A 505 38.578 -45.919 -5.686 1.00 49.05 C ATOM 48 H ILE A 505 39.591 -48.544 -9.287 1.00 0.00 H ATOM 49 N LYS A 506 37.941 -51.711 -7.470 1.00 43.85 N ATOM 50 CA LYS A 506 37.096 -52.798 -7.983 1.00 43.35 C ATOM 51 C LYS A 506 35.633 -52.390 -7.898 1.00 46.43 C ATOM 52 O LYS A 506 35.218 -51.774 -6.907 1.00 45.22 O ATOM 53 CB LYS A 506 37.331 -54.117 -7.206 1.00 46.28 C ATOM 54 CG LYS A 506 38.758 -54.669 -7.264 1.00 62.54 C ATOM 55 CD LYS A 506 39.015 -55.536 -8.495 1.00 76.11 C ATOM 56 CE LYS A 506 40.443 -56.025 -8.551 1.00 91.76 C ATOM 57 NZ LYS A 506 40.707 -56.832 -9.773 1.00102.77 N ATOM 58 HZ1 LYS A 506 40.078 -57.660 -9.782 1.00 0.00 H ATOM 59 HZ2 LYS A 506 40.529 -56.250 -10.616 1.00 0.00 H ATOM 60 HZ3 LYS A 506 41.698 -57.147 -9.771 1.00 0.00 H ATOM 61 H LYS A 506 38.424 -51.849 -6.560 1.00 0.00 H ATOM 62 N ARG A 507 34.853 -52.738 -8.935 1.00 42.88 N ATOM 63 CA ARG A 507 33.422 -52.434 -9.038 1.00 42.86 C ATOM 64 C ARG A 507 32.596 -53.065 -7.902 1.00 47.18 C ATOM 65 O ARG A 507 31.589 -52.492 -7.479 1.00 46.59 O ATOM 66 CB ARG A 507 32.892 -52.845 -10.414 1.00 43.31 C ATOM 67 CG ARG A 507 31.604 -52.141 -10.780 1.00 53.62 C ATOM 68 CD ARG A 507 31.226 -52.348 -12.227 1.00 62.45 C ATOM 69 NE ARG A 507 30.494 -51.182 -12.704 1.00 69.82 N ATOM 70 CZ ARG A 507 31.054 -50.149 -13.320 1.00 84.58 C ATOM 71 NH1 ARG A 507 30.317 -49.115 -13.691 1.00 72.13 N ATOM 72 NH2 ARG A 507 32.358 -50.143 -13.573 1.00 72.49 N ATOM 73 HE ARG A 507 29.465 -51.158 -12.552 1.00 0.00 H ATOM 74 HH12 ARG A 507 30.760 -48.307 -14.174 1.00 0.00 H ATOM 75 HH11 ARG A 507 29.295 -49.110 -13.500 1.00 0.00 H ATOM 76 HH22 ARG A 507 32.790 -49.330 -14.056 1.00 0.00 H ATOM 77 HH21 ARG A 507 32.947 -50.951 -13.288 1.00 0.00 H ATOM 78 H ARG A 507 35.295 -53.259 -9.719 1.00 0.00 H ATOM 79 N ARG A 508 33.044 -54.228 -7.400 1.00 44.11 N ATOM 80 CA ARG A 508 32.421 -54.977 -6.306 1.00 44.29 C ATOM 81 C ARG A 508 32.467 -54.162 -5.000 1.00 47.11 C ATOM 82 O ARG A 508 31.563 -54.272 -4.162 1.00 46.09 O ATOM 83 CB ARG A 508 33.177 -56.306 -6.114 1.00 45.50 C ATOM 84 CG ARG A 508 32.588 -57.261 -5.068 1.00 61.68 C ATOM 85 CD ARG A 508 33.414 -58.532 -4.906 1.00 75.93 C ATOM 86 NE ARG A 508 34.748 -58.281 -4.349 1.00 83.07 N ATOM 87 CZ ARG A 508 35.876 -58.301 -5.055 1.00 92.35 C ATOM 88 NH1 ARG A 508 35.849 -58.556 -6.358 1.00 75.42 N ATOM 89 NH2 ARG A 508 37.039 -58.064 -4.463 1.00 77.49 N ATOM 90 HE ARG A 508 34.817 -58.073 -3.332 1.00 0.00 H ATOM 91 HH12 ARG A 508 36.734 -58.570 -6.904 1.00 0.00 H ATOM 92 HH11 ARG A 508 34.943 -58.742 -6.833 1.00 0.00 H ATOM 93 HH22 ARG A 508 37.918 -58.081 -5.018 1.00 0.00 H ATOM 94 HH21 ARG A 508 37.072 -57.862 -3.443 1.00 0.00 H ATOM 95 H ARG A 508 33.905 -54.630 -7.823 1.00 0.00 H ATOM 96 N ASP A 509 33.535 -53.362 -4.833 1.00 42.19 N ATOM 97 CA ASP A 509 33.752 -52.540 -3.647 1.00 40.94 C ATOM 98 C ASP A 509 32.912 -51.243 -3.634 1.00 41.68 C ATOM 99 O ASP A 509 32.914 -50.538 -2.633 1.00 41.20 O ATOM 100 CB ASP A 509 35.252 -52.260 -3.456 1.00 42.51 C ATOM 101 CG ASP A 509 36.099 -53.502 -3.195 1.00 51.61 C ATOM 102 OD1 ASP A 509 35.761 -54.274 -2.267 1.00 49.31 O ATOM 103 OD2 ASP A 509 37.101 -53.693 -3.907 1.00 59.77 O ATOM 104 H ASP A 509 34.246 -53.327 -5.591 1.00 0.00 H ATOM 105 N ILE A 510 32.184 -50.944 -4.716 1.00 36.67 N ATOM 106 CA ILE A 510 31.340 -49.743 -4.766 1.00 36.32 C ATOM 107 C ILE A 510 29.858 -50.139 -4.677 1.00 39.48 C ATOM 108 O ILE A 510 29.339 -50.807 -5.577 1.00 37.92 O ATOM 109 CB ILE A 510 31.643 -48.808 -5.985 1.00 39.04 C ATOM 110 CG1 ILE A 510 33.138 -48.426 -6.061 1.00 39.09 C ATOM 111 CG2 ILE A 510 30.763 -47.555 -5.952 1.00 39.71 C ATOM 112 CD1 ILE A 510 33.673 -48.209 -7.474 1.00 48.46 C ATOM 113 H ILE A 510 32.216 -51.577 -5.541 1.00 0.00 H ATOM 114 N VAL A 511 29.185 -49.717 -3.590 1.00 34.94 N ATOM 115 CA VAL A 511 27.761 -49.979 -3.391 1.00 34.16 C ATOM 116 C VAL A 511 26.999 -48.654 -3.501 1.00 36.23 C ATOM 117 O VAL A 511 27.007 -47.861 -2.561 1.00 33.49 O ATOM 118 CB VAL A 511 27.444 -50.762 -2.082 1.00 38.50 C ATOM 119 CG1 VAL A 511 25.948 -51.001 -1.932 1.00 38.28 C ATOM 120 CG2 VAL A 511 28.189 -52.090 -2.036 1.00 38.78 C ATOM 121 H VAL A 511 29.700 -49.182 -2.862 1.00 0.00 H ATOM 122 N LEU A 512 26.365 -48.417 -4.663 1.00 32.90 N ATOM 123 CA LEU A 512 25.576 -47.212 -4.945 1.00 32.87 C ATOM 124 C LEU A 512 24.392 -47.103 -3.978 1.00 36.64 C ATOM 125 O LEU A 512 23.703 -48.095 -3.747 1.00 36.16 O ATOM 126 CB LEU A 512 25.062 -47.263 -6.399 1.00 33.31 C ATOM 127 CG LEU A 512 25.844 -46.514 -7.512 1.00 38.77 C ATOM 128 CD1 LEU A 512 27.355 -46.612 -7.355 1.00 40.87 C ATOM 129 CD2 LEU A 512 25.445 -47.023 -8.892 1.00 38.23 C ATOM 130 H LEU A 512 26.439 -49.135 -5.412 1.00 0.00 H ATOM 131 N LYS A 513 24.173 -45.912 -3.390 1.00 32.25 N ATOM 132 CA LYS A 513 23.050 -45.689 -2.468 1.00 31.18 C ATOM 133 C LYS A 513 21.909 -45.006 -3.203 1.00 36.84 C ATOM 134 O LYS A 513 20.782 -45.503 -3.174 1.00 37.89 O ATOM 135 CB LYS A 513 23.473 -44.919 -1.203 1.00 32.69 C ATOM 136 CG LYS A 513 24.504 -45.654 -0.345 1.00 38.49 C ATOM 137 CD LYS A 513 23.920 -46.847 0.426 1.00 42.04 C ATOM 138 CE LYS A 513 24.997 -47.598 1.158 1.00 47.00 C ATOM 139 NZ LYS A 513 24.568 -48.965 1.552 1.00 55.60 N ATOM 140 HZ1 LYS A 513 23.740 -48.900 2.177 1.00 0.00 H ATOM 141 HZ2 LYS A 513 24.320 -49.508 0.700 1.00 0.00 H ATOM 142 HZ3 LYS A 513 25.346 -49.440 2.053 1.00 0.00 H ATOM 143 H LYS A 513 24.820 -45.124 -3.595 1.00 0.00 H ATOM 144 N TRP A 514 22.210 -43.882 -3.889 1.00 33.17 N ATOM 145 CA TRP A 514 21.262 -43.085 -4.678 1.00 32.25 C ATOM 146 C TRP A 514 21.952 -42.053 -5.536 1.00 35.72 C ATOM 147 O TRP A 514 23.081 -41.647 -5.238 1.00 32.47 O ATOM 148 CB TRP A 514 20.165 -42.412 -3.821 1.00 30.69 C ATOM 149 CG TRP A 514 20.622 -41.451 -2.759 1.00 31.35 C ATOM 150 CD1 TRP A 514 21.114 -40.189 -2.940 1.00 34.20 C ATOM 151 CD2 TRP A 514 20.481 -41.626 -1.343 1.00 30.79 C ATOM 152 NE1 TRP A 514 21.333 -39.586 -1.723 1.00 33.42 N ATOM 153 CE2 TRP A 514 20.963 -40.450 -0.724 1.00 34.50 C ATOM 154 CE3 TRP A 514 20.039 -42.687 -0.533 1.00 31.69 C ATOM 155 CZ2 TRP A 514 21.008 -40.303 0.665 1.00 33.38 C ATOM 156 CZ3 TRP A 514 20.084 -42.540 0.839 1.00 33.06 C ATOM 157 CH2 TRP A 514 20.576 -41.364 1.427 1.00 33.84 C ATOM 158 HE1 TRP A 514 21.717 -38.630 -1.583 1.00 0.00 H ATOM 159 H TRP A 514 23.196 -43.553 -3.856 1.00 0.00 H ATOM 160 N GLU A 515 21.251 -41.625 -6.604 1.00 33.88 N ATOM 161 CA GLU A 515 21.727 -40.613 -7.523 1.00 34.36 C ATOM 162 C GLU A 515 21.477 -39.240 -6.915 1.00 38.02 C ATOM 163 O GLU A 515 20.334 -38.898 -6.598 1.00 36.61 O ATOM 164 CB GLU A 515 21.036 -40.742 -8.891 1.00 35.73 C ATOM 165 CG GLU A 515 21.702 -39.890 -9.961 1.00 43.72 C ATOM 166 CD GLU A 515 20.948 -39.824 -11.271 1.00 55.70 C ATOM 167 OE1 GLU A 515 20.483 -40.883 -11.750 1.00 44.58 O ATOM 168 OE2 GLU A 515 20.826 -38.708 -11.822 1.00 44.77 O ATOM 169 H GLU A 515 20.316 -42.045 -6.778 1.00 0.00 H ATOM 170 N LEU A 516 22.557 -38.460 -6.751 1.00 34.75 N ATOM 171 CA LEU A 516 22.518 -37.111 -6.199 1.00 34.69 C ATOM 172 C LEU A 516 22.077 -36.103 -7.277 1.00 40.43 C ATOM 173 O LEU A 516 21.295 -35.198 -6.990 1.00 41.23 O ATOM 174 CB LEU A 516 23.897 -36.717 -5.611 1.00 34.37 C ATOM 175 CG LEU A 516 24.373 -37.466 -4.352 1.00 38.39 C ATOM 176 CD1 LEU A 516 25.865 -37.298 -4.147 1.00 38.52 C ATOM 177 CD2 LEU A 516 23.662 -36.969 -3.106 1.00 39.55 C ATOM 178 H LEU A 516 23.481 -38.842 -7.036 1.00 0.00 H ATOM 179 N GLY A 517 22.580 -36.278 -8.496 1.00 37.34 N ATOM 180 CA GLY A 517 22.274 -35.420 -9.638 1.00 37.42 C ATOM 181 C GLY A 517 22.945 -35.882 -10.918 1.00 40.39 C ATOM 182 O GLY A 517 23.765 -36.802 -10.897 1.00 40.22 O ATOM 183 H GLY A 517 23.231 -37.075 -8.645 1.00 0.00 H ATOM 184 N GLU A 518 22.592 -35.267 -12.044 1.00 37.35 N ATOM 185 CA GLU A 518 23.194 -35.606 -13.334 1.00 37.77 C ATOM 186 C GLU A 518 23.221 -34.424 -14.285 1.00 44.17 C ATOM 187 O GLU A 518 22.389 -33.516 -14.189 1.00 43.23 O ATOM 188 CB GLU A 518 22.563 -36.863 -13.993 1.00 39.10 C ATOM 189 CG GLU A 518 21.201 -36.691 -14.646 1.00 47.25 C ATOM 190 CD GLU A 518 20.644 -37.992 -15.195 1.00 63.52 C ATOM 191 OE1 GLU A 518 20.131 -38.808 -14.396 1.00 51.48 O ATOM 192 OE2 GLU A 518 20.724 -38.201 -16.425 1.00 58.45 O ATOM 193 H GLU A 518 21.866 -34.523 -12.006 1.00 0.00 H ATOM 194 N GLY A 519 24.198 -34.459 -15.183 1.00 42.80 N ATOM 195 CA GLY A 519 24.396 -33.467 -16.228 1.00 43.76 C ATOM 196 C GLY A 519 24.373 -34.158 -17.574 1.00 51.05 C ATOM 197 O GLY A 519 23.934 -35.310 -17.670 1.00 51.17 O ATOM 198 H GLY A 519 24.869 -35.252 -15.136 1.00 0.00 H ATOM 199 N ALA A 520 24.856 -33.474 -18.618 1.00 49.36 N ATOM 200 CA ALA A 520 24.889 -34.016 -19.978 1.00 49.75 C ATOM 201 C ALA A 520 25.861 -35.182 -20.165 1.00 54.01 C ATOM 202 O ALA A 520 25.570 -36.087 -20.958 1.00 53.69 O ATOM 203 CB ALA A 520 25.213 -32.910 -20.972 1.00 50.62 C ATOM 204 H ALA A 520 25.224 -32.515 -18.456 1.00 0.00 H ATOM 205 N PHE A 521 27.008 -35.169 -19.450 1.00 49.46 N ATOM 206 CA PHE A 521 28.028 -36.209 -19.617 1.00 48.82 C ATOM 207 C PHE A 521 28.357 -37.031 -18.357 1.00 50.00 C ATOM 208 O PHE A 521 29.237 -37.896 -18.408 1.00 49.36 O ATOM 209 CB PHE A 521 29.309 -35.588 -20.208 1.00 51.04 C ATOM 210 CG PHE A 521 29.064 -34.720 -21.424 1.00 52.96 C ATOM 211 CD1 PHE A 521 28.728 -35.287 -22.649 1.00 56.51 C ATOM 212 CD2 PHE A 521 29.157 -33.336 -21.340 1.00 55.59 C ATOM 213 CE1 PHE A 521 28.488 -34.484 -23.769 1.00 57.22 C ATOM 214 CE2 PHE A 521 28.921 -32.534 -22.461 1.00 58.40 C ATOM 215 CZ PHE A 521 28.591 -33.114 -23.667 1.00 56.39 C ATOM 216 H PHE A 521 27.171 -34.403 -18.765 1.00 0.00 H ATOM 217 N GLY A 522 27.644 -36.785 -17.258 1.00 43.85 N ATOM 218 CA GLY A 522 27.889 -37.520 -16.025 1.00 41.96 C ATOM 219 C GLY A 522 26.747 -37.569 -15.039 1.00 41.87 C ATOM 220 O GLY A 522 25.863 -36.716 -15.057 1.00 40.33 O ATOM 221 H GLY A 522 26.902 -36.057 -17.281 1.00 0.00 H ATOM 222 N LYS A 523 26.770 -38.591 -14.173 1.00 38.40 N ATOM 223 CA LYS A 523 25.789 -38.826 -13.105 1.00 37.53 C ATOM 224 C LYS A 523 26.580 -38.923 -11.796 1.00 39.16 C ATOM 225 O LYS A 523 27.585 -39.633 -11.766 1.00 38.95 O ATOM 226 CB LYS A 523 25.038 -40.158 -13.319 1.00 40.00 C ATOM 227 CG LYS A 523 24.150 -40.233 -14.552 1.00 53.74 C ATOM 228 CD LYS A 523 23.156 -41.372 -14.393 1.00 63.91 C ATOM 229 CE LYS A 523 22.609 -41.876 -15.704 1.00 73.19 C ATOM 230 NZ LYS A 523 21.716 -43.047 -15.496 1.00 80.12 N ATOM 231 HZ1 LYS A 523 22.252 -43.814 -15.041 1.00 0.00 H ATOM 232 HZ2 LYS A 523 20.920 -42.770 -14.887 1.00 0.00 H ATOM 233 HZ3 LYS A 523 21.354 -43.373 -16.415 1.00 0.00 H ATOM 234 H LYS A 523 27.548 -39.275 -14.265 1.00 0.00 H ATOM 235 N VAL A 524 26.137 -38.236 -10.724 1.00 33.43 N ATOM 236 CA VAL A 524 26.825 -38.268 -9.425 1.00 32.69 C ATOM 237 C VAL A 524 25.971 -39.041 -8.429 1.00 35.15 C ATOM 238 O VAL A 524 24.800 -38.712 -8.255 1.00 35.17 O ATOM 239 CB VAL A 524 27.193 -36.862 -8.866 1.00 37.05 C ATOM 240 CG1 VAL A 524 28.117 -36.985 -7.653 1.00 35.56 C ATOM 241 CG2 VAL A 524 27.834 -35.979 -9.939 1.00 37.51 C ATOM 242 H VAL A 524 25.275 -37.661 -10.820 1.00 0.00 H ATOM 243 N PHE A 525 26.558 -40.052 -7.780 1.00 29.34 N ATOM 244 CA PHE A 525 25.874 -40.890 -6.801 1.00 28.89 C ATOM 245 C PHE A 525 26.523 -40.820 -5.446 1.00 31.69 C ATOM 246 O PHE A 525 27.733 -40.607 -5.352 1.00 30.04 O ATOM 247 CB PHE A 525 25.964 -42.379 -7.224 1.00 30.97 C ATOM 248 CG PHE A 525 25.284 -42.767 -8.516 1.00 33.58 C ATOM 249 CD1 PHE A 525 23.982 -43.255 -8.515 1.00 37.31 C ATOM 250 CD2 PHE A 525 25.968 -42.706 -9.727 1.00 36.49 C ATOM 251 CE1 PHE A 525 23.357 -43.634 -9.710 1.00 39.29 C ATOM 252 CE2 PHE A 525 25.345 -43.084 -10.921 1.00 39.96 C ATOM 253 CZ PHE A 525 24.045 -43.550 -10.905 1.00 38.51 C ATOM 254 H PHE A 525 27.558 -40.252 -7.984 1.00 0.00 H ATOM 255 N LEU A 526 25.728 -41.083 -4.395 1.00 27.18 N ATOM 256 CA LEU A 526 26.207 -41.240 -3.040 1.00 26.54 C ATOM 257 C LEU A 526 26.417 -42.754 -3.037 1.00 32.25 C ATOM 258 O LEU A 526 25.561 -43.495 -3.554 1.00 31.72 O ATOM 259 CB LEU A 526 25.150 -40.892 -1.964 1.00 26.21 C ATOM 260 CG LEU A 526 25.518 -41.306 -0.511 1.00 30.08 C ATOM 261 CD1 LEU A 526 26.820 -40.650 -0.029 1.00 30.60 C ATOM 262 CD2 LEU A 526 24.423 -40.987 0.464 1.00 31.33 C ATOM 263 H LEU A 526 24.707 -41.179 -4.567 1.00 0.00 H ATOM 264 N ALA A 527 27.531 -43.218 -2.478 1.00 27.71 N ATOM 265 CA ALA A 527 27.793 -44.651 -2.456 1.00 27.50 C ATOM 266 C ALA A 527 28.606 -45.004 -1.239 1.00 31.51 C ATOM 267 O ALA A 527 29.117 -44.130 -0.545 1.00 29.30 O ATOM 268 CB ALA A 527 28.558 -45.052 -3.724 1.00 28.04 C ATOM 269 H ALA A 527 28.215 -42.558 -2.057 1.00 0.00 H ATOM 270 N GLU A 528 28.746 -46.293 -0.990 1.00 29.05 N ATOM 271 CA GLU A 528 29.572 -46.800 0.085 1.00 29.69 C ATOM 272 C GLU A 528 30.720 -47.498 -0.647 1.00 34.79 C ATOM 273 O GLU A 528 30.499 -48.083 -1.710 1.00 33.22 O ATOM 274 CB GLU A 528 28.741 -47.712 1.019 1.00 31.60 C ATOM 275 CG GLU A 528 29.389 -48.988 1.513 1.00 44.75 C ATOM 276 CD GLU A 528 28.404 -49.894 2.231 1.00 67.60 C ATOM 277 OE1 GLU A 528 27.850 -50.815 1.585 1.00 47.06 O ATOM 278 OE2 GLU A 528 28.183 -49.676 3.443 1.00 62.86 O ATOM 279 H GLU A 528 28.241 -46.974 -1.593 1.00 0.00 H ATOM 280 N CYS A 529 31.942 -47.371 -0.127 1.00 34.64 N ATOM 281 CA CYS A 529 33.121 -47.983 -0.730 1.00 36.39 C ATOM 282 C CYS A 529 33.810 -48.856 0.309 1.00 43.54 C ATOM 283 O CYS A 529 34.048 -48.423 1.442 1.00 42.91 O ATOM 284 CB CYS A 529 34.066 -46.937 -1.320 1.00 36.82 C ATOM 285 SG CYS A 529 35.250 -47.603 -2.526 1.00 40.97 S ATOM 286 H CYS A 529 32.059 -46.813 0.743 1.00 0.00 H ATOM 287 N HIS A 530 34.091 -50.099 -0.074 1.00 42.74 N ATOM 288 CA HIS A 530 34.735 -51.083 0.782 1.00 43.82 C ATOM 289 C HIS A 530 36.211 -51.186 0.440 1.00 49.34 C ATOM 290 O HIS A 530 36.586 -50.974 -0.712 1.00 49.57 O ATOM 291 CB HIS A 530 34.054 -52.450 0.615 1.00 45.44 C ATOM 292 CG HIS A 530 32.612 -52.455 1.007 1.00 49.57 C ATOM 293 ND1 HIS A 530 31.615 -52.165 0.092 1.00 51.84 N ATOM 294 CD2 HIS A 530 32.043 -52.723 2.204 1.00 51.78 C ATOM 295 CE1 HIS A 530 30.477 -52.269 0.757 1.00 51.32 C ATOM 296 NE2 HIS A 530 30.683 -52.598 2.031 1.00 51.73 N ATOM 297 H HIS A 530 33.835 -50.383 -1.041 1.00 0.00 H ATOM 298 N ASN A 531 37.043 -51.506 1.450 1.00 47.14 N ATOM 299 CA ASN A 531 38.500 -51.685 1.366 1.00 47.81 C ATOM 300 C ASN A 531 39.223 -50.483 0.728 1.00 52.24 C ATOM 301 O ASN A 531 40.114 -50.658 -0.109 1.00 52.26 O ATOM 302 CB ASN A 531 38.862 -53.021 0.663 1.00 50.42 C ATOM 303 CG ASN A 531 38.086 -54.225 1.155 1.00 72.97 C ATOM 304 OD1 ASN A 531 38.098 -54.565 2.342 1.00 68.99 O ATOM 305 ND2 ASN A 531 37.391 -54.898 0.245 1.00 62.01 N ATOM 306 HD22 ASN A 531 37.399 -54.589 -0.748 1.00 0.00 H ATOM 307 HD21 ASN A 531 36.839 -55.734 0.526 1.00 0.00 H ATOM 308 H ASN A 531 36.610 -51.640 2.386 1.00 0.00 H ATOM 309 N LEU A 532 38.825 -49.261 1.128 1.00 48.69 N ATOM 310 CA LEU A 532 39.415 -48.008 0.650 1.00 48.11 C ATOM 311 C LEU A 532 40.383 -47.484 1.714 1.00 54.76 C ATOM 312 O LEU A 532 41.419 -46.917 1.371 1.00 55.08 O ATOM 313 CB LEU A 532 38.312 -46.972 0.325 1.00 47.54 C ATOM 314 CG LEU A 532 38.719 -45.700 -0.433 1.00 51.18 C ATOM 315 CD1 LEU A 532 39.226 -46.012 -1.850 1.00 50.86 C ATOM 316 CD2 LEU A 532 37.551 -44.735 -0.522 1.00 52.80 C ATOM 317 H LEU A 532 38.050 -49.203 1.819 1.00 0.00 H ATOM 318 N LEU A 533 40.043 -47.699 3.004 1.00 52.81 N ATOM 319 CA LEU A 533 40.840 -47.304 4.169 1.00 86.22 C ATOM 320 C LEU A 533 41.575 -48.524 4.724 1.00117.30 C ATOM 321 O LEU A 533 42.589 -48.385 5.405 1.00 83.79 O ATOM 322 CB LEU A 533 39.934 -46.705 5.252 1.00 86.29 C ATOM 323 H LEU A 533 39.141 -48.185 3.185 1.00 0.00 H TER 324 LEU A 533 ATOM 325 N LYS A 538 33.384 -50.144 5.270 1.00 53.76 N ATOM 326 CA LYS A 538 32.359 -49.159 4.938 1.00 53.44 C ATOM 327 C LYS A 538 32.899 -47.727 5.047 1.00 55.55 C ATOM 328 O LYS A 538 33.539 -47.367 6.040 1.00 56.20 O ATOM 329 CB LYS A 538 31.105 -49.343 5.808 1.00 56.24 C ATOM 330 HN3 LYS A 538 33.710 -49.988 6.245 1.00 0.00 H ATOM 331 HN2 LYS A 538 34.185 -50.043 4.615 1.00 0.00 H ATOM 332 HN1 LYS A 538 32.984 -51.100 5.186 1.00 0.00 H ATOM 333 N MET A 539 32.642 -46.926 4.004 1.00 48.46 N ATOM 334 CA MET A 539 33.056 -45.531 3.879 1.00 46.03 C ATOM 335 C MET A 539 32.142 -44.877 2.854 1.00 41.40 C ATOM 336 O MET A 539 31.985 -45.421 1.766 1.00 39.42 O ATOM 337 CB MET A 539 34.521 -45.479 3.398 1.00 48.99 C ATOM 338 CG MET A 539 35.079 -44.104 3.284 1.00 53.74 C ATOM 339 SD MET A 539 36.873 -44.138 3.155 1.00 59.04 S ATOM 340 CE MET A 539 37.202 -42.407 3.110 1.00 55.66 C ATOM 341 H MET A 539 32.101 -47.333 3.215 1.00 0.00 H ATOM 342 N LEU A 540 31.558 -43.709 3.173 1.00 32.52 N ATOM 343 CA LEU A 540 30.703 -43.022 2.204 1.00 30.24 C ATOM 344 C LEU A 540 31.580 -42.273 1.219 1.00 30.05 C ATOM 345 O LEU A 540 32.616 -41.742 1.611 1.00 30.25 O ATOM 346 CB LEU A 540 29.721 -42.052 2.882 1.00 30.18 C ATOM 347 CG LEU A 540 28.558 -42.660 3.676 1.00 34.86 C ATOM 348 CD1 LEU A 540 27.623 -41.550 4.190 1.00 34.99 C ATOM 349 CD2 LEU A 540 27.754 -43.677 2.826 1.00 32.88 C ATOM 350 H LEU A 540 31.714 -43.292 4.113 1.00 0.00 H ATOM 351 N VAL A 541 31.180 -42.248 -0.055 1.00 23.77 N ATOM 352 CA VAL A 541 31.907 -41.563 -1.126 1.00 22.97 C ATOM 353 C VAL A 541 30.911 -40.986 -2.138 1.00 25.93 C ATOM 354 O VAL A 541 29.763 -41.437 -2.203 1.00 25.16 O ATOM 355 CB VAL A 541 32.912 -42.513 -1.879 1.00 26.64 C ATOM 356 CG1 VAL A 541 34.140 -42.861 -1.045 1.00 26.57 C ATOM 357 CG2 VAL A 541 32.224 -43.761 -2.431 1.00 26.11 C ATOM 358 H VAL A 541 30.300 -42.744 -0.301 1.00 0.00 H ATOM 359 N ALA A 542 31.372 -40.039 -2.967 1.00 23.58 N ATOM 360 CA ALA A 542 30.578 -39.478 -4.048 1.00 24.10 C ATOM 361 C ALA A 542 31.193 -40.104 -5.290 1.00 31.16 C ATOM 362 O ALA A 542 32.424 -40.125 -5.440 1.00 29.85 O ATOM 363 CB ALA A 542 30.692 -37.964 -4.098 1.00 25.24 C ATOM 364 H ALA A 542 32.342 -39.690 -2.831 1.00 0.00 H ATOM 365 N VAL A 543 30.352 -40.667 -6.151 1.00 29.14 N ATOM 366 CA VAL A 543 30.851 -41.352 -7.341 1.00 29.98 C ATOM 367 C VAL A 543 30.336 -40.676 -8.582 1.00 34.89 C ATOM 368 O VAL A 543 29.133 -40.490 -8.711 1.00 34.25 O ATOM 369 CB VAL A 543 30.466 -42.870 -7.290 1.00 33.96 C ATOM 370 CG1 VAL A 543 30.785 -43.590 -8.600 1.00 33.60 C ATOM 371 CG2 VAL A 543 31.132 -43.575 -6.107 1.00 33.92 C ATOM 372 H VAL A 543 29.328 -40.620 -5.976 1.00 0.00 H ATOM 373 N LYS A 544 31.240 -40.314 -9.508 1.00 32.78 N ATOM 374 CA LYS A 544 30.827 -39.743 -10.778 1.00 32.93 C ATOM 375 C LYS A 544 30.871 -40.905 -11.805 1.00 38.27 C ATOM 376 O LYS A 544 31.872 -41.628 -11.888 1.00 36.16 O ATOM 377 CB LYS A 544 31.752 -38.596 -11.219 1.00 35.39 C ATOM 378 CG LYS A 544 31.202 -37.818 -12.407 1.00 45.35 C ATOM 379 CD LYS A 544 32.239 -36.893 -13.019 1.00 56.05 C ATOM 380 CE LYS A 544 32.063 -36.787 -14.511 1.00 65.96 C ATOM 381 NZ LYS A 544 33.186 -36.048 -15.145 1.00 78.43 N ATOM 382 HZ1 LYS A 544 33.233 -35.087 -14.751 1.00 0.00 H ATOM 383 HZ2 LYS A 544 34.079 -36.546 -14.954 1.00 0.00 H ATOM 384 HZ3 LYS A 544 33.029 -35.996 -16.172 1.00 0.00 H ATOM 385 H LYS A 544 32.253 -40.445 -9.312 1.00 0.00 H ATOM 386 N ALA A 545 29.781 -41.086 -12.553 1.00 37.26 N ATOM 387 CA ALA A 545 29.667 -42.109 -13.592 1.00 38.37 C ATOM 388 C ALA A 545 29.601 -41.386 -14.925 1.00 44.64 C ATOM 389 O ALA A 545 28.788 -40.470 -15.080 1.00 44.39 O ATOM 390 CB ALA A 545 28.403 -42.940 -13.384 1.00 39.02 C ATOM 391 H ALA A 545 28.965 -40.463 -12.388 1.00 0.00 H ATOM 392 N LEU A 546 30.466 -41.778 -15.875 1.00 43.51 N ATOM 393 CA LEU A 546 30.536 -41.196 -17.219 1.00 44.61 C ATOM 394 C LEU A 546 29.395 -41.728 -18.092 1.00 49.70 C ATOM 395 O LEU A 546 29.174 -42.939 -18.137 1.00 49.32 O ATOM 396 CB LEU A 546 31.894 -41.546 -17.866 1.00 45.18 C ATOM 397 CG LEU A 546 32.683 -40.393 -18.494 1.00 50.92 C ATOM 398 CD1 LEU A 546 33.246 -39.453 -17.427 1.00 51.77 C ATOM 399 CD2 LEU A 546 33.812 -40.924 -19.368 1.00 52.65 C ATOM 400 H LEU A 546 31.129 -42.544 -15.642 1.00 0.00 H ATOM 401 N LYS A 547 28.678 -40.830 -18.792 1.00 46.91 N ATOM 402 CA LYS A 547 27.566 -41.227 -19.664 1.00 68.37 C ATOM 403 C LYS A 547 28.036 -41.823 -20.993 1.00 92.66 C ATOM 404 O LYS A 547 28.793 -41.191 -21.727 1.00 54.04 O ATOM 405 CB LYS A 547 26.598 -40.062 -19.898 1.00 70.24 C ATOM 406 CG LYS A 547 25.613 -39.869 -18.762 1.00 73.76 C ATOM 407 CD LYS A 547 24.622 -38.788 -19.106 1.00 78.19 C ATOM 408 CE LYS A 547 23.577 -38.637 -18.041 1.00 82.11 C ATOM 409 NZ LYS A 547 22.565 -37.625 -18.428 1.00 88.83 N ATOM 410 HZ1 LYS A 547 23.032 -36.707 -18.570 1.00 0.00 H ATOM 411 HZ2 LYS A 547 22.101 -37.920 -19.311 1.00 0.00 H ATOM 412 HZ3 LYS A 547 21.854 -37.541 -17.673 1.00 0.00 H ATOM 413 H LYS A 547 28.920 -39.822 -18.713 1.00 0.00 H TER 414 LYS A 547 ATOM 415 N SER A 552 36.885 -37.823 -27.610 1.00 78.07 N ATOM 416 CA SER A 552 36.109 -38.934 -27.059 1.00 78.03 C ATOM 417 C SER A 552 35.941 -38.821 -25.533 1.00 81.61 C ATOM 418 O SER A 552 36.681 -38.065 -24.898 1.00 81.13 O ATOM 419 CB SER A 552 36.757 -40.267 -27.425 1.00 81.53 C ATOM 420 OG SER A 552 38.040 -40.406 -26.837 1.00 89.37 O ATOM 421 HG SER A 552 38.428 -41.279 -27.096 1.00 0.00 H ATOM 422 HN3 SER A 552 37.831 -37.815 -27.179 1.00 0.00 H ATOM 423 HN2 SER A 552 36.400 -36.927 -27.402 1.00 0.00 H ATOM 424 HN1 SER A 552 36.973 -37.940 -28.640 1.00 0.00 H ATOM 425 N ALA A 553 34.965 -39.574 -24.953 1.00 77.25 N ATOM 426 CA ALA A 553 34.675 -39.608 -23.509 1.00 76.36 C ATOM 427 C ALA A 553 35.913 -40.104 -22.758 1.00 77.94 C ATOM 428 O ALA A 553 36.350 -39.467 -21.794 1.00 77.38 O ATOM 429 CB ALA A 553 33.486 -40.515 -23.230 1.00 77.18 C ATOM 430 H ALA A 553 34.382 -40.169 -25.576 1.00 0.00 H ATOM 431 N ARG A 554 36.502 -41.220 -23.239 1.00 72.68 N ATOM 432 CA ARG A 554 37.729 -41.795 -22.694 1.00 71.46 C ATOM 433 C ARG A 554 38.872 -40.889 -23.194 1.00 73.00 C ATOM 434 O ARG A 554 38.645 -40.065 -24.088 1.00 72.55 O ATOM 435 CB ARG A 554 37.899 -43.252 -23.157 1.00 71.55 C ATOM 436 CG ARG A 554 38.770 -44.087 -22.225 1.00 82.46 C ATOM 437 CD ARG A 554 38.284 -45.520 -22.117 1.00 91.86 C ATOM 438 NE ARG A 554 39.053 -46.279 -21.128 1.00 99.93 N ATOM 439 CZ ARG A 554 38.722 -47.488 -20.684 1.00114.11 C ATOM 440 NH1 ARG A 554 37.627 -48.092 -21.132 1.00102.74 N ATOM 441 NH2 ARG A 554 39.480 -48.101 -19.785 1.00 98.71 N ATOM 442 HE ARG A 554 39.917 -45.843 -20.747 1.00 0.00 H ATOM 443 HH12 ARG A 554 37.374 -49.038 -20.781 1.00 0.00 H ATOM 444 HH11 ARG A 554 37.023 -47.619 -21.834 1.00 0.00 H ATOM 445 HH22 ARG A 554 39.217 -49.046 -19.441 1.00 0.00 H ATOM 446 HH21 ARG A 554 40.338 -47.636 -19.424 1.00 0.00 H ATOM 447 H ARG A 554 36.055 -41.699 -24.046 1.00 0.00 H ATOM 448 N GLN A 555 40.085 -41.019 -22.617 1.00 67.41 N ATOM 449 CA GLN A 555 41.279 -40.198 -22.911 1.00 65.89 C ATOM 450 C GLN A 555 41.110 -38.848 -22.196 1.00 65.69 C ATOM 451 O GLN A 555 42.051 -38.384 -21.552 1.00 65.12 O ATOM 452 CB GLN A 555 41.627 -40.057 -24.422 1.00 67.30 C ATOM 453 CG GLN A 555 41.584 -41.351 -25.262 1.00 84.29 C ATOM 454 CD GLN A 555 42.459 -42.474 -24.753 1.00107.66 C ATOM 455 OE1 GLN A 555 42.025 -43.334 -23.976 1.00104.08 O ATOM 456 NE2 GLN A 555 43.710 -42.497 -25.189 1.00100.45 N ATOM 457 HE22 GLN A 555 44.047 -41.761 -25.842 1.00 0.00 H ATOM 458 HE21 GLN A 555 44.355 -43.251 -24.879 1.00 0.00 H ATOM 459 H GLN A 555 40.190 -41.765 -21.900 1.00 0.00 H ATOM 460 N ASP A 556 39.892 -38.248 -22.268 1.00 59.66 N ATOM 461 CA ASP A 556 39.530 -37.012 -21.564 1.00 58.39 C ATOM 462 C ASP A 556 39.366 -37.400 -20.085 1.00 58.74 C ATOM 463 O ASP A 556 39.791 -36.650 -19.207 1.00 58.35 O ATOM 464 CB ASP A 556 38.224 -36.401 -22.117 1.00 60.49 C ATOM 465 CG ASP A 556 38.387 -35.494 -23.331 1.00 73.18 C ATOM 466 OD1 ASP A 556 39.440 -34.821 -23.441 1.00 74.18 O ATOM 467 OD2 ASP A 556 37.453 -35.441 -24.161 1.00 79.35 O ATOM 468 H ASP A 556 39.166 -38.696 -22.863 1.00 0.00 H ATOM 469 N PHE A 557 38.781 -38.602 -19.830 1.00 52.07 N ATOM 470 CA PHE A 557 38.580 -39.209 -18.509 1.00 50.52 C ATOM 471 C PHE A 557 39.960 -39.548 -17.950 1.00 53.93 C ATOM 472 O PHE A 557 40.210 -39.314 -16.766 1.00 54.03 O ATOM 473 CB PHE A 557 37.735 -40.499 -18.640 1.00 51.72 C ATOM 474 CG PHE A 557 37.511 -41.311 -17.380 1.00 52.45 C ATOM 475 CD1 PHE A 557 36.367 -41.131 -16.611 1.00 54.41 C ATOM 476 CD2 PHE A 557 38.421 -42.288 -16.988 1.00 53.85 C ATOM 477 CE1 PHE A 557 36.150 -41.894 -15.459 1.00 54.82 C ATOM 478 CE2 PHE A 557 38.207 -43.046 -15.832 1.00 56.15 C ATOM 479 CZ PHE A 557 37.072 -42.844 -15.075 1.00 53.86 C ATOM 480 H PHE A 557 38.443 -39.143 -20.651 1.00 0.00 H ATOM 481 N GLN A 558 40.852 -40.107 -18.809 1.00 49.10 N ATOM 482 CA GLN A 558 42.220 -40.495 -18.451 1.00 48.35 C ATOM 483 C GLN A 558 43.078 -39.299 -18.053 1.00 51.01 C ATOM 484 O GLN A 558 43.807 -39.387 -17.062 1.00 50.11 O ATOM 485 CB GLN A 558 42.892 -41.307 -19.575 1.00 49.53 C ATOM 486 CG GLN A 558 43.023 -42.801 -19.265 1.00 63.05 C ATOM 487 CD GLN A 558 43.808 -43.110 -18.004 1.00 83.67 C ATOM 488 OE1 GLN A 558 44.925 -42.620 -17.788 1.00 76.09 O ATOM 489 NE2 GLN A 558 43.235 -43.943 -17.142 1.00 78.87 N ATOM 490 HE22 GLN A 558 42.296 -44.340 -17.348 1.00 0.00 H ATOM 491 HE21 GLN A 558 43.725 -44.198 -16.261 1.00 0.00 H ATOM 492 H GLN A 558 40.543 -40.271 -19.788 1.00 0.00 H ATOM 493 N ARG A 559 42.983 -38.182 -18.813 1.00 47.06 N ATOM 494 CA ARG A 559 43.717 -36.946 -18.524 1.00 46.99 C ATOM 495 C ARG A 559 43.211 -36.383 -17.189 1.00 49.45 C ATOM 496 O ARG A 559 44.019 -35.980 -16.346 1.00 49.41 O ATOM 497 CB ARG A 559 43.521 -35.912 -19.651 1.00 49.16 C ATOM 498 CG ARG A 559 44.413 -34.669 -19.522 1.00 62.91 C ATOM 499 CD ARG A 559 43.819 -33.439 -20.200 1.00 74.65 C ATOM 500 NE ARG A 559 43.938 -33.481 -21.661 1.00 79.57 N ATOM 501 CZ ARG A 559 42.946 -33.793 -22.490 1.00 92.10 C ATOM 502 NH1 ARG A 559 41.744 -34.097 -22.014 1.00 80.10 N ATOM 503 NH2 ARG A 559 43.148 -33.805 -23.801 1.00 75.41 N ATOM 504 HE ARG A 559 44.863 -33.251 -22.078 1.00 0.00 H ATOM 505 HH12 ARG A 559 40.972 -34.340 -22.667 1.00 0.00 H ATOM 506 HH11 ARG A 559 41.574 -34.092 -20.988 1.00 0.00 H ATOM 507 HH22 ARG A 559 42.369 -34.050 -24.445 1.00 0.00 H ATOM 508 HH21 ARG A 559 44.085 -33.570 -24.185 1.00 0.00 H ATOM 509 H ARG A 559 42.358 -38.202 -19.644 1.00 0.00 H ATOM 510 N GLU A 560 41.870 -36.381 -17.004 1.00 44.27 N ATOM 511 CA GLU A 560 41.180 -35.915 -15.799 1.00 43.27 C ATOM 512 C GLU A 560 41.675 -36.705 -14.574 1.00 43.97 C ATOM 513 O GLU A 560 42.102 -36.092 -13.600 1.00 43.69 O ATOM 514 CB GLU A 560 39.658 -36.068 -15.979 1.00 45.08 C ATOM 515 CG GLU A 560 38.822 -35.646 -14.778 1.00 59.19 C ATOM 516 CD GLU A 560 38.198 -34.263 -14.823 1.00 80.09 C ATOM 517 OE1 GLU A 560 38.670 -33.409 -15.608 1.00 75.86 O ATOM 518 OE2 GLU A 560 37.231 -34.033 -14.062 1.00 72.04 O ATOM 519 H GLU A 560 41.281 -36.740 -17.782 1.00 0.00 H ATOM 520 N ALA A 561 41.648 -38.054 -14.642 1.00 37.24 N ATOM 521 CA ALA A 561 42.094 -38.939 -13.563 1.00 36.57 C ATOM 522 C ALA A 561 43.529 -38.639 -13.131 1.00 39.52 C ATOM 523 O ALA A 561 43.787 -38.569 -11.936 1.00 38.80 O ATOM 524 CB ALA A 561 41.961 -40.396 -13.981 1.00 37.13 C ATOM 525 H ALA A 561 41.288 -38.491 -15.514 1.00 0.00 H ATOM 526 N GLU A 562 44.455 -38.448 -14.103 1.00 36.15 N ATOM 527 CA GLU A 562 45.864 -38.145 -13.839 1.00 35.92 C ATOM 528 C GLU A 562 46.016 -36.809 -13.112 1.00 39.16 C ATOM 529 O GLU A 562 46.794 -36.706 -12.158 1.00 39.50 O ATOM 530 CB GLU A 562 46.677 -38.175 -15.141 1.00 37.10 C ATOM 531 CG GLU A 562 47.041 -39.590 -15.567 1.00 46.93 C ATOM 532 CD GLU A 562 47.454 -39.788 -17.014 1.00 71.26 C ATOM 533 OE1 GLU A 562 47.830 -38.794 -17.677 1.00 69.15 O ATOM 534 OE2 GLU A 562 47.405 -40.948 -17.484 1.00 62.02 O ATOM 535 H GLU A 562 44.147 -38.521 -15.094 1.00 0.00 H ATOM 536 N LEU A 563 45.250 -35.804 -13.555 1.00 35.29 N ATOM 537 CA LEU A 563 45.212 -34.464 -12.979 1.00 35.84 C ATOM 538 C LEU A 563 44.670 -34.515 -11.541 1.00 39.07 C ATOM 539 O LEU A 563 45.250 -33.901 -10.650 1.00 38.40 O ATOM 540 CB LEU A 563 44.332 -33.551 -13.856 1.00 36.43 C ATOM 541 CG LEU A 563 44.063 -32.116 -13.358 1.00 41.90 C ATOM 542 CD1 LEU A 563 45.354 -31.298 -13.299 1.00 42.14 C ATOM 543 CD2 LEU A 563 43.023 -31.424 -14.234 1.00 45.14 C ATOM 544 H LEU A 563 44.635 -35.993 -14.372 1.00 0.00 H ATOM 545 N LEU A 564 43.574 -35.258 -11.313 1.00 34.75 N ATOM 546 CA LEU A 564 42.967 -35.355 -9.979 1.00 34.00 C ATOM 547 C LEU A 564 43.816 -36.142 -8.981 1.00 35.80 C ATOM 548 O LEU A 564 43.712 -35.911 -7.774 1.00 34.60 O ATOM 549 CB LEU A 564 41.533 -35.886 -10.057 1.00 34.00 C ATOM 550 CG LEU A 564 40.578 -35.030 -10.887 1.00 38.51 C ATOM 551 CD1 LEU A 564 39.249 -35.702 -11.050 1.00 38.49 C ATOM 552 CD2 LEU A 564 40.445 -33.632 -10.316 1.00 41.70 C ATOM 553 H LEU A 564 43.143 -35.779 -12.103 1.00 0.00 H ATOM 554 N THR A 565 44.677 -37.042 -9.487 1.00 31.89 N ATOM 555 CA THR A 565 45.597 -37.839 -8.682 1.00 31.74 C ATOM 556 C THR A 565 46.728 -36.911 -8.216 1.00 36.96 C ATOM 557 O THR A 565 47.231 -37.070 -7.106 1.00 36.74 O ATOM 558 CB THR A 565 46.143 -39.034 -9.523 1.00 37.62 C ATOM 559 OG1 THR A 565 45.053 -39.846 -9.966 1.00 34.05 O ATOM 560 CG2 THR A 565 47.162 -39.901 -8.752 1.00 37.97 C ATOM 561 HG1 THR A 565 44.443 -39.302 -10.524 1.00 0.00 H ATOM 562 H THR A 565 44.688 -37.179 -10.518 1.00 0.00 H ATOM 563 N MET A 566 47.139 -35.960 -9.069 1.00 36.15 N ATOM 564 CA MET A 566 48.230 -35.057 -8.701 1.00 38.05 C ATOM 565 C MET A 566 47.775 -33.918 -7.779 1.00 38.94 C ATOM 566 O MET A 566 48.546 -33.539 -6.893 1.00 39.19 O ATOM 567 CB MET A 566 49.018 -34.537 -9.925 1.00 41.97 C ATOM 568 CG MET A 566 48.241 -33.660 -10.872 1.00 47.96 C ATOM 569 SD MET A 566 49.195 -32.276 -11.544 1.00 55.11 S ATOM 570 CE MET A 566 49.600 -31.389 -10.022 1.00 51.94 C ATOM 571 H MET A 566 46.679 -35.864 -9.997 1.00 0.00 H ATOM 572 N LEU A 567 46.551 -33.381 -7.981 1.00 32.86 N ATOM 573 CA LEU A 567 46.013 -32.294 -7.140 1.00 32.43 C ATOM 574 C LEU A 567 45.696 -32.887 -5.781 1.00 36.18 C ATOM 575 O LEU A 567 44.738 -33.650 -5.649 1.00 39.65 O ATOM 576 CB LEU A 567 44.748 -31.649 -7.753 1.00 32.59 C ATOM 577 CG LEU A 567 44.878 -30.941 -9.099 1.00 37.82 C ATOM 578 CD1 LEU A 567 43.534 -30.376 -9.547 1.00 38.07 C ATOM 579 CD2 LEU A 567 45.931 -29.835 -9.064 1.00 38.20 C ATOM 580 H LEU A 567 45.966 -33.748 -8.759 1.00 0.00 H ATOM 581 N GLN A 568 46.526 -32.592 -4.793 1.00 29.69 N ATOM 582 CA GLN A 568 46.369 -33.123 -3.446 1.00 29.50 C ATOM 583 C GLN A 568 46.571 -32.013 -2.429 1.00 28.83 C ATOM 584 O GLN A 568 47.680 -31.509 -2.277 1.00 28.19 O ATOM 585 CB GLN A 568 47.355 -34.295 -3.230 1.00 32.09 C ATOM 586 CG GLN A 568 47.208 -35.005 -1.879 1.00 60.13 C ATOM 587 CD GLN A 568 48.208 -36.125 -1.682 1.00 87.99 C ATOM 588 OE1 GLN A 568 48.634 -36.805 -2.628 1.00 83.05 O ATOM 589 NE2 GLN A 568 48.600 -36.348 -0.433 1.00 83.15 N ATOM 590 HE22 GLN A 568 48.227 -35.763 0.341 1.00 0.00 H ATOM 591 HE21 GLN A 568 49.280 -37.108 -0.229 1.00 0.00 H ATOM 592 H GLN A 568 47.324 -31.954 -4.987 1.00 0.00 H ATOM 593 N HIS A 569 45.489 -31.609 -1.732 1.00 22.86 N ATOM 594 CA HIS A 569 45.599 -30.523 -0.748 1.00 21.04 C ATOM 595 C HIS A 569 44.416 -30.568 0.192 1.00 21.45 C ATOM 596 O HIS A 569 43.344 -30.976 -0.214 1.00 21.24 O ATOM 597 CB HIS A 569 45.615 -29.153 -1.497 1.00 20.67 C ATOM 598 CG HIS A 569 45.842 -27.951 -0.626 1.00 22.99 C ATOM 599 ND1 HIS A 569 44.781 -27.239 -0.096 1.00 23.95 N ATOM 600 CD2 HIS A 569 47.003 -27.367 -0.234 1.00 24.81 C ATOM 601 CE1 HIS A 569 45.319 -26.242 0.592 1.00 24.00 C ATOM 602 NE2 HIS A 569 46.655 -26.271 0.537 1.00 24.61 N ATOM 603 H HIS A 569 44.570 -32.069 -1.892 1.00 0.00 H ATOM 604 N GLN A 570 44.599 -30.094 1.420 1.00 20.43 N ATOM 605 CA GLN A 570 43.552 -30.058 2.443 1.00 21.15 C ATOM 606 C GLN A 570 42.272 -29.303 1.972 1.00 22.87 C ATOM 607 O GLN A 570 41.188 -29.599 2.465 1.00 21.01 O ATOM 608 CB GLN A 570 44.097 -29.448 3.753 1.00 23.63 C ATOM 609 CG GLN A 570 44.947 -28.191 3.576 1.00 43.54 C ATOM 610 CD GLN A 570 46.447 -28.429 3.447 1.00 61.91 C ATOM 611 OE1 GLN A 570 46.930 -29.368 2.782 1.00 46.10 O ATOM 612 NE2 GLN A 570 47.222 -27.551 4.076 1.00 61.62 N ATOM 613 HE22 GLN A 570 46.793 -26.778 4.624 1.00 0.00 H ATOM 614 HE21 GLN A 570 48.257 -27.637 4.021 1.00 0.00 H ATOM 615 H GLN A 570 45.540 -29.728 1.669 1.00 0.00 H ATOM 616 N HIS A 571 42.395 -28.353 1.017 1.00 16.67 N ATOM 617 CA HIS A 571 41.201 -27.618 0.586 1.00 15.08 C ATOM 618 C HIS A 571 40.807 -27.871 -0.876 1.00 18.91 C ATOM 619 O HIS A 571 40.153 -27.035 -1.504 1.00 17.35 O ATOM 620 CB HIS A 571 41.330 -26.126 0.934 1.00 15.47 C ATOM 621 CG HIS A 571 41.346 -25.961 2.426 1.00 18.68 C ATOM 622 ND1 HIS A 571 40.207 -26.197 3.191 1.00 20.72 N ATOM 623 CD2 HIS A 571 42.384 -25.703 3.248 1.00 20.30 C ATOM 624 CE1 HIS A 571 40.590 -26.039 4.452 1.00 20.47 C ATOM 625 NE2 HIS A 571 41.891 -25.735 4.533 1.00 20.61 N ATOM 626 H HIS A 571 43.323 -28.147 0.594 1.00 0.00 H ATOM 627 N ILE A 572 41.171 -29.062 -1.388 1.00 15.67 N ATOM 628 CA ILE A 572 40.775 -29.576 -2.698 1.00 16.47 C ATOM 629 C ILE A 572 40.062 -30.886 -2.365 1.00 19.81 C ATOM 630 O ILE A 572 40.637 -31.713 -1.656 1.00 18.62 O ATOM 631 CB ILE A 572 41.960 -29.798 -3.685 1.00 20.22 C ATOM 632 CG1 ILE A 572 42.725 -28.467 -3.989 1.00 21.45 C ATOM 633 CG2 ILE A 572 41.475 -30.508 -4.969 1.00 21.57 C ATOM 634 CD1 ILE A 572 41.921 -27.285 -4.709 1.00 29.13 C ATOM 635 H ILE A 572 41.784 -29.666 -0.804 1.00 0.00 H ATOM 636 N VAL A 573 38.836 -31.087 -2.879 1.00 18.92 N ATOM 637 CA VAL A 573 38.094 -32.319 -2.578 1.00 18.97 C ATOM 638 C VAL A 573 38.979 -33.538 -2.922 1.00 23.12 C ATOM 639 O VAL A 573 39.663 -33.555 -3.951 1.00 23.41 O ATOM 640 CB VAL A 573 36.653 -32.376 -3.161 1.00 23.35 C ATOM 641 CG1 VAL A 573 36.648 -32.583 -4.660 1.00 23.40 C ATOM 642 CG2 VAL A 573 35.809 -33.447 -2.476 1.00 23.21 C ATOM 643 H VAL A 573 38.410 -30.365 -3.494 1.00 0.00 H ATOM 644 N ARG A 574 39.025 -34.511 -2.003 1.00 21.11 N ATOM 645 CA ARG A 574 39.852 -35.716 -2.139 1.00 21.28 C ATOM 646 C ARG A 574 39.320 -36.624 -3.223 1.00 26.07 C ATOM 647 O ARG A 574 38.123 -36.898 -3.260 1.00 22.56 O ATOM 648 CB ARG A 574 39.900 -36.461 -0.798 1.00 24.02 C ATOM 649 CG ARG A 574 41.200 -37.182 -0.510 1.00 42.44 C ATOM 650 CD ARG A 574 41.189 -37.823 0.873 1.00 55.27 C ATOM 651 NE ARG A 574 40.762 -36.897 1.926 1.00 67.03 N ATOM 652 CZ ARG A 574 40.185 -37.268 3.066 1.00 81.25 C ATOM 653 NH1 ARG A 574 39.962 -38.553 3.318 1.00 64.52 N ATOM 654 NH2 ARG A 574 39.826 -36.358 3.962 1.00 70.38 N ATOM 655 HE ARG A 574 40.921 -35.881 1.771 1.00 0.00 H ATOM 656 HH12 ARG A 574 39.511 -38.837 4.211 1.00 0.00 H ATOM 657 HH11 ARG A 574 40.239 -39.275 2.622 1.00 0.00 H ATOM 658 HH22 ARG A 574 39.375 -36.654 4.851 1.00 0.00 H ATOM 659 HH21 ARG A 574 39.995 -35.349 3.775 1.00 0.00 H ATOM 660 H ARG A 574 38.444 -34.407 -1.147 1.00 0.00 H ATOM 661 N PHE A 575 40.216 -37.043 -4.132 1.00 25.70 N ATOM 662 CA PHE A 575 39.939 -37.955 -5.243 1.00 26.47 C ATOM 663 C PHE A 575 40.608 -39.272 -4.832 1.00 31.13 C ATOM 664 O PHE A 575 41.786 -39.274 -4.469 1.00 29.69 O ATOM 665 CB PHE A 575 40.507 -37.392 -6.562 1.00 28.52 C ATOM 666 CG PHE A 575 40.429 -38.335 -7.740 1.00 30.43 C ATOM 667 CD1 PHE A 575 39.226 -38.548 -8.404 1.00 33.69 C ATOM 668 CD2 PHE A 575 41.562 -39.009 -8.189 1.00 33.02 C ATOM 669 CE1 PHE A 575 39.154 -39.423 -9.498 1.00 35.06 C ATOM 670 CE2 PHE A 575 41.490 -39.875 -9.286 1.00 35.96 C ATOM 671 CZ PHE A 575 40.284 -40.078 -9.928 1.00 34.23 C ATOM 672 H PHE A 575 41.189 -36.689 -4.038 1.00 0.00 H ATOM 673 N PHE A 576 39.839 -40.364 -4.807 1.00 28.60 N ATOM 674 CA PHE A 576 40.324 -41.682 -4.375 1.00 28.86 C ATOM 675 C PHE A 576 40.770 -42.604 -5.510 1.00 34.98 C ATOM 676 O PHE A 576 41.529 -43.548 -5.272 1.00 34.62 O ATOM 677 CB PHE A 576 39.270 -42.387 -3.511 1.00 29.68 C ATOM 678 CG PHE A 576 39.034 -41.740 -2.177 1.00 30.29 C ATOM 679 CD1 PHE A 576 40.043 -41.685 -1.224 1.00 33.66 C ATOM 680 CD2 PHE A 576 37.787 -41.225 -1.848 1.00 30.91 C ATOM 681 CE1 PHE A 576 39.815 -41.095 0.021 1.00 34.66 C ATOM 682 CE2 PHE A 576 37.559 -40.656 -0.598 1.00 33.39 C ATOM 683 CZ PHE A 576 38.578 -40.568 0.317 1.00 31.60 C ATOM 684 H PHE A 576 38.847 -40.277 -5.108 1.00 0.00 H ATOM 685 N GLY A 577 40.282 -42.340 -6.711 1.00 31.83 N ATOM 686 CA GLY A 577 40.634 -43.146 -7.861 1.00 31.92 C ATOM 687 C GLY A 577 39.513 -43.410 -8.832 1.00 36.38 C ATOM 688 O GLY A 577 38.467 -42.757 -8.799 1.00 32.95 O ATOM 689 H GLY A 577 39.632 -41.537 -6.831 1.00 0.00 H ATOM 690 N VAL A 578 39.749 -44.381 -9.723 1.00 36.13 N ATOM 691 CA VAL A 578 38.805 -44.734 -10.782 1.00 37.20 C ATOM 692 C VAL A 578 38.391 -46.215 -10.767 1.00 42.16 C ATOM 693 O VAL A 578 38.993 -47.018 -10.071 1.00 40.25 O ATOM 694 CB VAL A 578 39.394 -44.359 -12.182 1.00 41.33 C ATOM 695 CG1 VAL A 578 39.579 -42.850 -12.341 1.00 40.84 C ATOM 696 CG2 VAL A 578 40.697 -45.108 -12.467 1.00 41.14 C ATOM 697 H VAL A 578 40.644 -44.908 -9.659 1.00 0.00 H ATOM 698 N CYS A 579 37.362 -46.546 -11.553 1.00 41.78 N ATOM 699 CA CYS A 579 36.886 -47.902 -11.807 1.00 43.29 C ATOM 700 C CYS A 579 36.732 -47.942 -13.317 1.00 48.19 C ATOM 701 O CYS A 579 35.835 -47.290 -13.871 1.00 45.53 O ATOM 702 CB CYS A 579 35.582 -48.235 -11.089 1.00 44.52 C ATOM 703 SG CYS A 579 35.075 -49.968 -11.284 1.00 48.84 S ATOM 704 H CYS A 579 36.856 -45.769 -12.025 1.00 0.00 H ATOM 705 N THR A 580 37.669 -48.644 -13.985 1.00 48.84 N ATOM 706 CA THR A 580 37.735 -48.773 -15.448 1.00 50.46 C ATOM 707 C THR A 580 37.310 -50.160 -15.953 1.00 58.60 C ATOM 708 O THR A 580 36.851 -50.263 -17.094 1.00 58.98 O ATOM 709 CB THR A 580 39.124 -48.373 -15.971 1.00 56.28 C ATOM 710 OG1 THR A 580 40.114 -49.160 -15.318 1.00 55.93 O ATOM 711 CG2 THR A 580 39.430 -46.894 -15.767 1.00 55.93 C ATOM 712 HG1 THR A 580 40.068 -49.003 -14.342 1.00 0.00 H ATOM 713 H THR A 580 38.398 -49.130 -13.425 1.00 0.00 H ATOM 714 N GLU A 581 37.462 -51.217 -15.120 1.00 57.11 N ATOM 715 CA GLU A 581 37.071 -52.581 -15.486 1.00 57.98 C ATOM 716 C GLU A 581 35.556 -52.695 -15.360 1.00 62.88 C ATOM 717 O GLU A 581 35.027 -52.961 -14.273 1.00 62.94 O ATOM 718 CB GLU A 581 37.805 -53.639 -14.634 1.00 59.62 C ATOM 719 CG GLU A 581 37.807 -55.042 -15.237 1.00 71.18 C ATOM 720 CD GLU A 581 38.519 -55.234 -16.566 1.00 97.24 C ATOM 721 OE1 GLU A 581 39.587 -54.613 -16.778 1.00 94.63 O ATOM 722 OE2 GLU A 581 38.007 -56.019 -17.396 1.00 93.71 O ATOM 723 H GLU A 581 37.874 -51.053 -14.179 1.00 0.00 H ATOM 724 N GLY A 582 34.886 -52.451 -16.482 1.00 59.33 N ATOM 725 CA GLY A 582 33.434 -52.474 -16.598 1.00 59.00 C ATOM 726 C GLY A 582 32.887 -51.190 -17.182 1.00 62.29 C ATOM 727 O GLY A 582 33.650 -50.274 -17.506 1.00 62.13 O ATOM 728 H GLY A 582 35.436 -52.228 -17.336 1.00 0.00 H ATOM 729 N ARG A 583 31.558 -51.116 -17.318 1.00 58.48 N ATOM 730 CA ARG A 583 30.861 -49.952 -17.864 1.00 57.86 C ATOM 731 C ARG A 583 29.693 -49.542 -16.937 1.00 60.46 C ATOM 732 O ARG A 583 28.964 -50.424 -16.472 1.00 60.37 O ATOM 733 CB ARG A 583 30.344 -50.264 -19.281 1.00 58.55 C ATOM 734 CG ARG A 583 30.172 -49.049 -20.184 1.00 70.81 C ATOM 735 CD ARG A 583 29.734 -49.449 -21.582 1.00 86.08 C ATOM 736 NE ARG A 583 28.277 -49.513 -21.713 1.00 98.91 N ATOM 737 CZ ARG A 583 27.636 -49.865 -22.825 1.00114.70 C ATOM 738 NH1 ARG A 583 26.310 -49.890 -22.854 1.00101.69 N ATOM 739 NH2 ARG A 583 28.317 -50.199 -23.915 1.00102.14 N ATOM 740 HE ARG A 583 27.704 -49.267 -20.881 1.00 0.00 H ATOM 741 HH12 ARG A 583 25.814 -50.166 -23.726 1.00 0.00 H ATOM 742 HH11 ARG A 583 25.766 -49.634 -22.005 1.00 0.00 H ATOM 743 HH22 ARG A 583 27.810 -50.473 -24.781 1.00 0.00 H ATOM 744 HH21 ARG A 583 29.357 -50.186 -23.903 1.00 0.00 H ATOM 745 H ARG A 583 30.988 -51.933 -17.018 1.00 0.00 H ATOM 746 N PRO A 584 29.486 -48.230 -16.642 1.00 55.21 N ATOM 747 CA PRO A 584 30.259 -47.060 -17.097 1.00 53.74 C ATOM 748 C PRO A 584 31.563 -46.848 -16.321 1.00 54.06 C ATOM 749 O PRO A 584 31.832 -47.544 -15.340 1.00 53.60 O ATOM 750 CB PRO A 584 29.274 -45.904 -16.886 1.00 55.64 C ATOM 751 CG PRO A 584 28.485 -46.311 -15.683 1.00 60.70 C ATOM 752 CD PRO A 584 28.358 -47.820 -15.775 1.00 56.73 C ATOM 753 N LEU A 585 32.375 -45.884 -16.769 1.00 47.30 N ATOM 754 CA LEU A 585 33.635 -45.551 -16.105 1.00 45.44 C ATOM 755 C LEU A 585 33.273 -44.722 -14.870 1.00 42.98 C ATOM 756 O LEU A 585 32.370 -43.891 -14.941 1.00 41.98 O ATOM 757 CB LEU A 585 34.558 -44.762 -17.054 1.00 45.67 C ATOM 758 CG LEU A 585 35.000 -45.479 -18.344 1.00 50.62 C ATOM 759 CD1 LEU A 585 35.434 -44.477 -19.401 1.00 51.01 C ATOM 760 CD2 LEU A 585 36.113 -46.480 -18.074 1.00 53.04 C ATOM 761 H LEU A 585 32.101 -45.352 -17.620 1.00 0.00 H ATOM 762 N LEU A 586 33.942 -44.978 -13.747 1.00 37.27 N ATOM 763 CA LEU A 586 33.678 -44.283 -12.483 1.00 36.15 C ATOM 764 C LEU A 586 34.871 -43.514 -11.929 1.00 39.54 C ATOM 765 O LEU A 586 36.014 -43.943 -12.086 1.00 39.27 O ATOM 766 CB LEU A 586 33.201 -45.284 -11.408 1.00 35.53 C ATOM 767 CG LEU A 586 32.033 -46.229 -11.758 1.00 40.08 C ATOM 768 CD1 LEU A 586 31.837 -47.272 -10.671 1.00 40.15 C ATOM 769 CD2 LEU A 586 30.745 -45.465 -11.988 1.00 41.80 C ATOM 770 H LEU A 586 34.686 -45.704 -13.768 1.00 0.00 H ATOM 771 N MET A 587 34.587 -42.383 -11.258 1.00 34.79 N ATOM 772 CA MET A 587 35.562 -41.543 -10.553 1.00 33.30 C ATOM 773 C MET A 587 35.024 -41.459 -9.131 1.00 31.75 C ATOM 774 O MET A 587 33.840 -41.173 -8.945 1.00 29.16 O ATOM 775 CB MET A 587 35.693 -40.157 -11.175 1.00 36.31 C ATOM 776 CG MET A 587 36.663 -40.134 -12.324 1.00 41.09 C ATOM 777 SD MET A 587 36.878 -38.477 -12.979 1.00 46.21 S ATOM 778 CE MET A 587 35.557 -38.423 -14.166 1.00 43.74 C ATOM 779 H MET A 587 33.593 -42.078 -11.237 1.00 0.00 H ATOM 780 N VAL A 588 35.871 -41.770 -8.146 1.00 27.62 N ATOM 781 CA VAL A 588 35.482 -41.807 -6.740 1.00 26.82 C ATOM 782 C VAL A 588 36.113 -40.665 -5.954 1.00 27.16 C ATOM 783 O VAL A 588 37.337 -40.499 -5.971 1.00 26.19 O ATOM 784 CB VAL A 588 35.778 -43.211 -6.127 1.00 30.61 C ATOM 785 CG1 VAL A 588 35.370 -43.280 -4.659 1.00 30.47 C ATOM 786 CG2 VAL A 588 35.079 -44.319 -6.926 1.00 30.56 C ATOM 787 H VAL A 588 36.855 -41.997 -8.393 1.00 0.00 H ATOM 788 N PHE A 589 35.267 -39.900 -5.239 1.00 22.93 N ATOM 789 CA PHE A 589 35.669 -38.739 -4.425 1.00 21.63 C ATOM 790 C PHE A 589 35.143 -38.881 -3.013 1.00 25.85 C ATOM 791 O PHE A 589 34.170 -39.607 -2.792 1.00 24.84 O ATOM 792 CB PHE A 589 35.032 -37.443 -4.994 1.00 22.81 C ATOM 793 CG PHE A 589 35.422 -37.093 -6.406 1.00 24.36 C ATOM 794 CD1 PHE A 589 34.737 -37.636 -7.491 1.00 27.23 C ATOM 795 CD2 PHE A 589 36.464 -36.210 -6.657 1.00 25.93 C ATOM 796 CE1 PHE A 589 35.099 -37.310 -8.800 1.00 27.67 C ATOM 797 CE2 PHE A 589 36.821 -35.885 -7.970 1.00 28.80 C ATOM 798 CZ PHE A 589 36.140 -36.443 -9.027 1.00 27.10 C ATOM 799 H PHE A 589 34.257 -40.146 -5.263 1.00 0.00 H ATOM 800 N GLU A 590 35.724 -38.130 -2.056 1.00 22.08 N ATOM 801 CA GLU A 590 35.189 -38.155 -0.690 1.00 21.23 C ATOM 802 C GLU A 590 33.775 -37.559 -0.693 1.00 23.94 C ATOM 803 O GLU A 590 33.423 -36.762 -1.576 1.00 22.36 O ATOM 804 CB GLU A 590 36.094 -37.407 0.303 1.00 22.38 C ATOM 805 CG GLU A 590 36.132 -35.903 0.080 1.00 26.95 C ATOM 806 CD GLU A 590 37.008 -35.115 1.029 1.00 31.22 C ATOM 807 OE1 GLU A 590 36.954 -35.358 2.256 1.00 27.19 O ATOM 808 OE2 GLU A 590 37.753 -34.241 0.538 1.00 22.57 O ATOM 809 H GLU A 590 36.547 -37.536 -2.285 1.00 0.00 H ATOM 810 N TYR A 591 32.972 -37.959 0.287 1.00 21.37 N ATOM 811 CA TYR A 591 31.613 -37.461 0.426 1.00 21.58 C ATOM 812 C TYR A 591 31.644 -36.229 1.321 1.00 24.42 C ATOM 813 O TYR A 591 32.212 -36.279 2.407 1.00 24.73 O ATOM 814 CB TYR A 591 30.731 -38.553 1.029 1.00 23.55 C ATOM 815 CG TYR A 591 29.335 -38.097 1.391 1.00 26.12 C ATOM 816 CD1 TYR A 591 28.487 -37.551 0.432 1.00 28.21 C ATOM 817 CD2 TYR A 591 28.843 -38.261 2.682 1.00 27.82 C ATOM 818 CE1 TYR A 591 27.188 -37.156 0.758 1.00 30.37 C ATOM 819 CE2 TYR A 591 27.552 -37.862 3.021 1.00 29.47 C ATOM 820 CZ TYR A 591 26.730 -37.309 2.056 1.00 37.17 C ATOM 821 OH TYR A 591 25.452 -36.927 2.391 1.00 47.35 O ATOM 822 HH TYR A 591 25.001 -36.554 1.593 1.00 0.00 H ATOM 823 H TYR A 591 33.327 -38.651 0.977 1.00 0.00 H ATOM 824 N MET A 592 31.046 -35.127 0.847 1.00 21.31 N ATOM 825 CA MET A 592 30.994 -33.846 1.577 1.00 19.78 C ATOM 826 C MET A 592 29.535 -33.665 1.934 1.00 20.71 C ATOM 827 O MET A 592 28.706 -33.272 1.119 1.00 19.04 O ATOM 828 CB MET A 592 31.541 -32.704 0.699 1.00 21.01 C ATOM 829 CG MET A 592 32.970 -32.953 0.204 1.00 23.04 C ATOM 830 SD MET A 592 34.186 -32.822 1.536 1.00 25.16 S ATOM 831 CE MET A 592 34.285 -30.956 1.719 1.00 21.55 C ATOM 832 H MET A 592 30.593 -35.178 -0.088 1.00 0.00 H ATOM 833 N ARG A 593 29.226 -34.033 3.167 1.00 20.85 N ATOM 834 CA ARG A 593 27.877 -34.150 3.730 1.00 21.78 C ATOM 835 C ARG A 593 27.002 -32.934 3.589 1.00 27.45 C ATOM 836 O ARG A 593 25.793 -33.078 3.353 1.00 25.98 O ATOM 837 CB ARG A 593 27.979 -34.571 5.196 1.00 25.01 C ATOM 838 CG ARG A 593 26.652 -34.880 5.864 1.00 37.07 C ATOM 839 CD ARG A 593 26.857 -35.551 7.209 1.00 44.54 C ATOM 840 NE ARG A 593 27.280 -36.950 7.086 1.00 43.82 N ATOM 841 CZ ARG A 593 26.469 -37.955 6.765 1.00 51.22 C ATOM 842 NH1 ARG A 593 25.187 -37.726 6.498 1.00 32.41 N ATOM 843 NH2 ARG A 593 26.938 -39.194 6.688 1.00 39.54 N ATOM 844 HE ARG A 593 28.281 -37.171 7.261 1.00 0.00 H ATOM 845 HH12 ARG A 593 24.559 -38.516 6.248 1.00 0.00 H ATOM 846 HH11 ARG A 593 24.812 -36.757 6.539 1.00 0.00 H ATOM 847 HH22 ARG A 593 26.301 -39.977 6.437 1.00 0.00 H ATOM 848 HH21 ARG A 593 27.943 -39.382 6.879 1.00 0.00 H ATOM 849 H ARG A 593 30.019 -34.262 3.800 1.00 0.00 H ATOM 850 N HIS A 594 27.603 -31.736 3.703 1.00 25.65 N ATOM 851 CA HIS A 594 26.810 -30.516 3.642 1.00 26.64 C ATOM 852 C HIS A 594 26.646 -29.942 2.257 1.00 29.80 C ATOM 853 O HIS A 594 26.185 -28.814 2.162 1.00 30.86 O ATOM 854 CB HIS A 594 27.337 -29.462 4.633 1.00 28.60 C ATOM 855 CG HIS A 594 27.120 -29.852 6.050 1.00 34.07 C ATOM 856 ND1 HIS A 594 28.166 -30.220 6.856 1.00 36.99 N ATOM 857 CD2 HIS A 594 25.966 -29.996 6.739 1.00 37.62 C ATOM 858 CE1 HIS A 594 27.630 -30.535 8.024 1.00 37.53 C ATOM 859 NE2 HIS A 594 26.306 -30.432 7.993 1.00 37.88 N ATOM 860 H HIS A 594 28.633 -31.681 3.835 1.00 0.00 H ATOM 861 N GLY A 595 26.956 -30.730 1.215 1.00 23.26 N ATOM 862 CA GLY A 595 26.784 -30.400 -0.195 1.00 22.44 C ATOM 863 C GLY A 595 27.551 -29.208 -0.736 1.00 21.93 C ATOM 864 O GLY A 595 28.570 -28.805 -0.157 1.00 20.17 O ATOM 865 H GLY A 595 27.357 -31.664 1.434 1.00 0.00 H ATOM 866 N ASP A 596 27.044 -28.626 -1.840 1.00 17.97 N ATOM 867 CA ASP A 596 27.726 -27.474 -2.442 1.00 17.69 C ATOM 868 C ASP A 596 27.589 -26.222 -1.564 1.00 17.82 C ATOM 869 O ASP A 596 26.594 -26.050 -0.852 1.00 14.45 O ATOM 870 CB ASP A 596 27.328 -27.228 -3.918 1.00 19.44 C ATOM 871 CG ASP A 596 26.050 -26.461 -4.132 1.00 24.27 C ATOM 872 OD1 ASP A 596 25.084 -27.056 -4.609 1.00 27.00 O ATOM 873 OD2 ASP A 596 26.026 -25.250 -3.838 1.00 20.80 O ATOM 874 H ASP A 596 26.169 -28.993 -2.266 1.00 0.00 H ATOM 875 N LEU A 597 28.630 -25.364 -1.595 1.00 13.44 N ATOM 876 CA LEU A 597 28.665 -24.169 -0.752 1.00 12.06 C ATOM 877 C LEU A 597 27.580 -23.142 -1.097 1.00 13.64 C ATOM 878 O LEU A 597 27.144 -22.409 -0.211 1.00 13.86 O ATOM 879 CB LEU A 597 30.097 -23.568 -0.829 1.00 13.52 C ATOM 880 CG LEU A 597 30.350 -22.262 -0.055 1.00 15.92 C ATOM 881 CD1 LEU A 597 30.130 -22.466 1.491 1.00 16.26 C ATOM 882 CD2 LEU A 597 31.759 -21.722 -0.357 1.00 15.23 C ATOM 883 H LEU A 597 29.427 -25.557 -2.234 1.00 0.00 H ATOM 884 N ASN A 598 27.142 -23.059 -2.356 1.00 12.66 N ATOM 885 CA ASN A 598 26.086 -22.088 -2.657 1.00 13.36 C ATOM 886 C ASN A 598 24.796 -22.454 -1.911 1.00 17.05 C ATOM 887 O ASN A 598 24.187 -21.607 -1.258 1.00 15.17 O ATOM 888 CB ASN A 598 25.793 -21.986 -4.144 1.00 13.66 C ATOM 889 CG ASN A 598 24.792 -20.872 -4.363 1.00 21.69 C ATOM 890 OD1 ASN A 598 23.589 -21.098 -4.526 1.00 18.36 O ATOM 891 ND2 ASN A 598 25.259 -19.641 -4.314 1.00 14.79 N ATOM 892 HD22 ASN A 598 26.276 -19.476 -4.176 1.00 0.00 H ATOM 893 HD21 ASN A 598 24.610 -18.834 -4.414 1.00 0.00 H ATOM 894 H ASN A 598 27.539 -23.666 -3.101 1.00 0.00 H ATOM 895 N ARG A 599 24.406 -23.723 -1.992 1.00 15.60 N ATOM 896 CA ARG A 599 23.203 -24.187 -1.286 1.00 15.81 C ATOM 897 C ARG A 599 23.387 -24.072 0.219 1.00 16.42 C ATOM 898 O ARG A 599 22.436 -23.699 0.917 1.00 14.59 O ATOM 899 CB ARG A 599 22.875 -25.640 -1.710 1.00 15.49 C ATOM 900 CG ARG A 599 21.615 -26.237 -1.061 1.00 27.29 C ATOM 901 CD ARG A 599 20.318 -25.513 -1.444 1.00 29.92 C ATOM 902 NE ARG A 599 20.205 -25.296 -2.893 1.00 33.78 N ATOM 903 CZ ARG A 599 19.738 -26.193 -3.755 1.00 48.69 C ATOM 904 NH1 ARG A 599 19.308 -27.375 -3.328 1.00 37.46 N ATOM 905 NH2 ARG A 599 19.689 -25.912 -5.050 1.00 33.09 N ATOM 906 HE ARG A 599 20.512 -24.377 -3.270 1.00 0.00 H ATOM 907 HH12 ARG A 599 18.944 -28.072 -4.008 1.00 0.00 H ATOM 908 HH11 ARG A 599 19.336 -27.603 -2.314 1.00 0.00 H ATOM 909 HH22 ARG A 599 19.323 -26.617 -5.722 1.00 0.00 H ATOM 910 HH21 ARG A 599 20.017 -24.987 -5.394 1.00 0.00 H ATOM 911 H ARG A 599 24.959 -24.395 -2.562 1.00 0.00 H ATOM 912 N PHE A 600 24.614 -24.381 0.718 1.00 14.30 N ATOM 913 CA PHE A 600 24.947 -24.276 2.136 1.00 14.41 C ATOM 914 C PHE A 600 24.730 -22.832 2.619 1.00 16.92 C ATOM 915 O PHE A 600 24.053 -22.613 3.624 1.00 15.13 O ATOM 916 CB PHE A 600 26.373 -24.748 2.416 1.00 15.46 C ATOM 917 CG PHE A 600 26.729 -24.747 3.887 1.00 16.06 C ATOM 918 CD1 PHE A 600 26.412 -25.833 4.694 1.00 18.31 C ATOM 919 CD2 PHE A 600 27.412 -23.675 4.455 1.00 18.25 C ATOM 920 CE1 PHE A 600 26.763 -25.844 6.052 1.00 18.42 C ATOM 921 CE2 PHE A 600 27.751 -23.677 5.818 1.00 21.23 C ATOM 922 CZ PHE A 600 27.433 -24.765 6.604 1.00 19.28 C ATOM 923 H PHE A 600 25.349 -24.707 0.059 1.00 0.00 H ATOM 924 N LEU A 601 25.294 -21.850 1.892 1.00 13.93 N ATOM 925 CA LEU A 601 25.113 -20.436 2.261 1.00 13.92 C ATOM 926 C LEU A 601 23.633 -20.046 2.260 1.00 16.33 C ATOM 927 O LEU A 601 23.174 -19.403 3.202 1.00 16.49 O ATOM 928 CB LEU A 601 25.868 -19.521 1.285 1.00 13.21 C ATOM 929 CG LEU A 601 27.395 -19.599 1.355 1.00 13.74 C ATOM 930 CD1 LEU A 601 28.001 -19.061 0.045 1.00 12.72 C ATOM 931 CD2 LEU A 601 27.939 -18.851 2.598 1.00 16.35 C ATOM 932 H LEU A 601 25.866 -22.093 1.058 1.00 0.00 H ATOM 933 N ARG A 602 22.897 -20.459 1.224 1.00 13.98 N ATOM 934 CA ARG A 602 21.469 -20.128 1.077 1.00 15.27 C ATOM 935 C ARG A 602 20.630 -20.748 2.202 1.00 19.81 C ATOM 936 O ARG A 602 19.612 -20.179 2.600 1.00 21.33 O ATOM 937 CB ARG A 602 20.950 -20.582 -0.293 1.00 15.35 C ATOM 938 CG ARG A 602 21.427 -19.693 -1.468 1.00 15.70 C ATOM 939 CD ARG A 602 20.743 -20.180 -2.740 1.00 18.02 C ATOM 940 NE ARG A 602 21.209 -19.494 -3.953 1.00 20.67 N ATOM 941 CZ ARG A 602 20.701 -18.360 -4.432 1.00 33.01 C ATOM 942 NH1 ARG A 602 19.735 -17.724 -3.778 1.00 30.43 N ATOM 943 NH2 ARG A 602 21.180 -17.834 -5.545 1.00 21.19 N ATOM 944 HE ARG A 602 21.996 -19.927 -4.478 1.00 0.00 H ATOM 945 HH12 ARG A 602 19.344 -16.839 -4.160 1.00 0.00 H ATOM 946 HH11 ARG A 602 19.370 -18.111 -2.885 1.00 0.00 H ATOM 947 HH22 ARG A 602 20.780 -16.948 -5.916 1.00 0.00 H ATOM 948 HH21 ARG A 602 21.957 -18.306 -6.051 1.00 0.00 H ATOM 949 H ARG A 602 23.352 -21.039 0.490 1.00 0.00 H ATOM 950 N SER A 603 21.068 -21.883 2.720 1.00 16.42 N ATOM 951 CA SER A 603 20.329 -22.561 3.805 1.00 17.35 C ATOM 952 C SER A 603 20.796 -22.106 5.218 1.00 22.16 C ATOM 953 O SER A 603 20.185 -22.468 6.233 1.00 20.62 O ATOM 954 CB SER A 603 20.377 -24.081 3.614 1.00 22.76 C ATOM 955 OG SER A 603 21.698 -24.583 3.617 1.00 30.06 O ATOM 956 HG SER A 603 22.210 -24.165 2.880 1.00 0.00 H ATOM 957 H SER A 603 21.947 -22.305 2.358 1.00 0.00 H ATOM 958 N HIS A 604 21.857 -21.273 5.281 1.00 15.87 N ATOM 959 CA HIS A 604 22.396 -20.794 6.559 1.00 16.87 C ATOM 960 C HIS A 604 22.508 -19.264 6.547 1.00 18.90 C ATOM 961 O HIS A 604 23.483 -18.695 7.035 1.00 19.26 O ATOM 962 CB HIS A 604 23.728 -21.500 6.904 1.00 18.29 C ATOM 963 CG HIS A 604 23.552 -22.973 7.101 1.00 21.82 C ATOM 964 ND1 HIS A 604 23.190 -23.500 8.338 1.00 24.59 N ATOM 965 CD2 HIS A 604 23.652 -23.984 6.209 1.00 23.53 C ATOM 966 CE1 HIS A 604 23.104 -24.811 8.157 1.00 23.86 C ATOM 967 NE2 HIS A 604 23.358 -25.152 6.895 1.00 23.63 N ATOM 968 H HIS A 604 22.306 -20.961 4.396 1.00 0.00 H ATOM 969 N GLY A 605 21.505 -18.650 5.933 1.00 17.78 N ATOM 970 CA GLY A 605 21.387 -17.209 5.762 1.00 19.32 C ATOM 971 C GLY A 605 20.395 -16.559 6.709 1.00 24.27 C ATOM 972 O GLY A 605 19.924 -17.207 7.650 1.00 20.51 O ATOM 973 H GLY A 605 20.745 -19.244 5.544 1.00 0.00 H ATOM 974 N PRO A 606 20.023 -15.280 6.456 1.00 26.06 N ATOM 975 CA PRO A 606 19.072 -14.583 7.349 1.00 27.57 C ATOM 976 C PRO A 606 17.715 -15.270 7.553 1.00 33.62 C ATOM 977 O PRO A 606 17.112 -15.113 8.616 1.00 35.17 O ATOM 978 CB PRO A 606 18.917 -13.206 6.689 1.00 30.19 C ATOM 979 CG PRO A 606 20.187 -13.009 5.936 1.00 34.47 C ATOM 980 CD PRO A 606 20.484 -14.384 5.377 1.00 29.20 C ATOM 981 N ASP A 607 17.257 -16.040 6.558 1.00 29.22 N ATOM 982 CA ASP A 607 15.992 -16.795 6.598 1.00 29.25 C ATOM 983 C ASP A 607 16.226 -18.297 6.968 1.00 28.92 C ATOM 984 O ASP A 607 15.381 -19.161 6.677 1.00 28.70 O ATOM 985 CB ASP A 607 15.279 -16.679 5.243 1.00 32.12 C ATOM 986 CG ASP A 607 16.099 -17.110 4.039 1.00 46.60 C ATOM 987 OD1 ASP A 607 17.255 -17.560 4.231 1.00 49.22 O ATOM 988 OD2 ASP A 607 15.593 -16.985 2.905 1.00 50.61 O ATOM 989 H ASP A 607 17.835 -16.110 5.696 1.00 0.00 H ATOM 990 N ALA A 608 17.374 -18.599 7.605 1.00 21.78 N ATOM 991 CA ALA A 608 17.700 -19.977 8.002 1.00 19.61 C ATOM 992 C ALA A 608 16.620 -20.624 8.849 1.00 24.17 C ATOM 993 O ALA A 608 16.299 -21.792 8.619 1.00 24.44 O ATOM 994 CB ALA A 608 19.016 -20.024 8.750 1.00 19.48 C ATOM 995 H ALA A 608 18.048 -17.837 7.822 1.00 0.00 H ATOM 996 N LYS A 609 16.074 -19.880 9.826 1.00 24.34 N ATOM 997 CA LYS A 609 15.038 -20.414 10.731 1.00 25.69 C ATOM 998 C LYS A 609 13.788 -20.832 9.962 1.00 30.48 C ATOM 999 O LYS A 609 13.234 -21.892 10.244 1.00 30.34 O ATOM 1000 CB LYS A 609 14.700 -19.407 11.834 1.00 30.09 C ATOM 1001 CG LYS A 609 15.768 -19.339 12.918 1.00 46.61 C ATOM 1002 CD LYS A 609 15.571 -18.155 13.867 1.00 58.13 C ATOM 1003 CE LYS A 609 16.751 -17.204 13.858 1.00 70.07 C ATOM 1004 NZ LYS A 609 17.943 -17.778 14.541 1.00 75.96 N ATOM 1005 HZ1 LYS A 609 17.706 -17.989 15.531 1.00 0.00 H ATOM 1006 HZ2 LYS A 609 18.230 -18.653 14.058 1.00 0.00 H ATOM 1007 HZ3 LYS A 609 18.723 -17.091 14.509 1.00 0.00 H ATOM 1008 H LYS A 609 16.392 -18.897 9.948 1.00 0.00 H ATOM 1009 N LEU A 610 13.363 -20.018 8.979 1.00 28.71 N ATOM 1010 CA LEU A 610 12.188 -20.329 8.151 1.00 29.66 C ATOM 1011 C LEU A 610 12.384 -21.636 7.382 1.00 30.39 C ATOM 1012 O LEU A 610 11.485 -22.478 7.347 1.00 30.45 O ATOM 1013 CB LEU A 610 11.893 -19.163 7.177 1.00 30.65 C ATOM 1014 CG LEU A 610 10.890 -19.411 6.035 1.00 37.04 C ATOM 1015 CD1 LEU A 610 9.450 -19.272 6.514 1.00 38.07 C ATOM 1016 CD2 LEU A 610 11.146 -18.450 4.869 1.00 40.79 C ATOM 1017 H LEU A 610 13.884 -19.137 8.798 1.00 0.00 H ATOM 1018 N LEU A 611 13.565 -21.810 6.794 1.00 24.69 N ATOM 1019 CA LEU A 611 13.928 -22.969 5.979 1.00 24.94 C ATOM 1020 C LEU A 611 14.293 -24.236 6.760 1.00 27.88 C ATOM 1021 O LEU A 611 14.227 -25.341 6.202 1.00 26.46 O ATOM 1022 CB LEU A 611 15.112 -22.593 5.058 1.00 25.90 C ATOM 1023 CG LEU A 611 14.881 -21.425 4.077 1.00 32.54 C ATOM 1024 CD1 LEU A 611 16.170 -21.025 3.388 1.00 32.67 C ATOM 1025 CD2 LEU A 611 13.805 -21.758 3.056 1.00 38.22 C ATOM 1026 H LEU A 611 14.282 -21.068 6.923 1.00 0.00 H ATOM 1027 N ALA A 612 14.733 -24.074 8.010 1.00 24.96 N ATOM 1028 CA ALA A 612 15.210 -25.179 8.840 1.00 24.31 C ATOM 1029 C ALA A 612 14.189 -26.236 9.183 1.00 27.66 C ATOM 1030 O ALA A 612 13.022 -25.920 9.422 1.00 25.36 O ATOM 1031 CB ALA A 612 15.783 -24.633 10.144 1.00 25.33 C ATOM 1032 H ALA A 612 14.737 -23.115 8.413 1.00 0.00 H ATOM 1033 N GLY A 613 14.675 -27.474 9.275 1.00 25.61 N ATOM 1034 CA GLY A 613 13.887 -28.611 9.727 1.00 26.25 C ATOM 1035 C GLY A 613 13.817 -28.485 11.241 1.00 29.46 C ATOM 1036 O GLY A 613 14.681 -27.841 11.858 1.00 25.46 O ATOM 1037 H GLY A 613 15.668 -27.635 9.010 1.00 0.00 H ATOM 1038 N GLY A 614 12.791 -29.068 11.836 1.00 28.26 N ATOM 1039 CA GLY A 614 12.557 -28.987 13.275 1.00 29.30 C ATOM 1040 C GLY A 614 13.714 -29.405 14.163 1.00 33.87 C ATOM 1041 O GLY A 614 13.896 -28.831 15.233 1.00 34.87 O ATOM 1042 H GLY A 614 12.120 -29.609 11.253 1.00 0.00 H ATOM 1043 N GLU A 615 14.495 -30.395 13.725 1.00 29.42 N ATOM 1044 CA GLU A 615 15.641 -30.931 14.461 1.00 29.14 C ATOM 1045 C GLU A 615 16.994 -30.235 14.129 1.00 30.16 C ATOM 1046 O GLU A 615 18.013 -30.586 14.728 1.00 28.88 O ATOM 1047 CB GLU A 615 15.768 -32.440 14.194 1.00 30.16 C ATOM 1048 CG GLU A 615 16.302 -32.789 12.805 1.00 37.04 C ATOM 1049 CD GLU A 615 15.302 -32.927 11.663 1.00 57.25 C ATOM 1050 OE1 GLU A 615 15.497 -33.842 10.834 1.00 47.37 O ATOM 1051 OE2 GLU A 615 14.339 -32.130 11.576 1.00 44.28 O ATOM 1052 H GLU A 615 14.274 -30.813 12.799 1.00 0.00 H ATOM 1053 N ASP A 616 17.025 -29.300 13.164 1.00 22.69 N ATOM 1054 CA ASP A 616 18.298 -28.664 12.787 1.00 20.45 C ATOM 1055 C ASP A 616 18.976 -28.025 13.984 1.00 20.84 C ATOM 1056 O ASP A 616 18.319 -27.434 14.840 1.00 20.79 O ATOM 1057 CB ASP A 616 18.111 -27.674 11.597 1.00 21.72 C ATOM 1058 CG ASP A 616 17.682 -28.388 10.311 1.00 30.65 C ATOM 1059 OD1 ASP A 616 17.510 -29.631 10.342 1.00 33.57 O ATOM 1060 OD2 ASP A 616 17.514 -27.712 9.285 1.00 30.55 O ATOM 1061 H ASP A 616 16.146 -29.025 12.682 1.00 0.00 H ATOM 1062 N VAL A 617 20.294 -28.161 14.049 1.00 18.80 N ATOM 1063 CA VAL A 617 21.076 -27.570 15.129 1.00 18.58 C ATOM 1064 C VAL A 617 21.293 -26.049 14.922 1.00 26.20 C ATOM 1065 O VAL A 617 21.686 -25.627 13.841 1.00 26.46 O ATOM 1066 CB VAL A 617 22.394 -28.357 15.356 1.00 22.85 C ATOM 1067 CG1 VAL A 617 23.347 -27.591 16.268 1.00 22.43 C ATOM 1068 CG2 VAL A 617 22.097 -29.747 15.947 1.00 22.93 C ATOM 1069 H VAL A 617 20.783 -28.704 13.309 1.00 0.00 H ATOM 1070 N ALA A 618 21.050 -25.263 16.001 1.00 24.65 N ATOM 1071 CA ALA A 618 21.148 -23.805 16.154 1.00 25.09 C ATOM 1072 C ALA A 618 20.860 -23.076 14.836 1.00 27.84 C ATOM 1073 O ALA A 618 21.774 -22.453 14.282 1.00 26.59 O ATOM 1074 CB ALA A 618 22.519 -23.413 16.733 1.00 25.96 C ATOM 1075 H ALA A 618 20.746 -25.773 16.855 1.00 0.00 H ATOM 1076 N PRO A 619 19.621 -23.205 14.268 1.00 24.45 N ATOM 1077 CA PRO A 619 19.352 -22.557 12.972 1.00 23.51 C ATOM 1078 C PRO A 619 19.476 -21.055 13.071 1.00 25.46 C ATOM 1079 O PRO A 619 19.117 -20.440 14.072 1.00 26.06 O ATOM 1080 CB PRO A 619 17.934 -23.009 12.614 1.00 26.00 C ATOM 1081 CG PRO A 619 17.315 -23.414 13.922 1.00 30.12 C ATOM 1082 CD PRO A 619 18.423 -23.921 14.770 1.00 25.90 C ATOM 1083 N GLY A 620 20.043 -20.482 12.044 1.00 21.79 N ATOM 1084 CA GLY A 620 20.241 -19.040 12.015 1.00 21.16 C ATOM 1085 C GLY A 620 21.326 -18.717 11.022 1.00 21.56 C ATOM 1086 O GLY A 620 21.969 -19.631 10.487 1.00 18.74 O ATOM 1087 H GLY A 620 20.356 -21.061 11.239 1.00 0.00 H ATOM 1088 N PRO A 621 21.520 -17.435 10.705 1.00 20.06 N ATOM 1089 CA PRO A 621 22.565 -17.091 9.728 1.00 19.51 C ATOM 1090 C PRO A 621 23.959 -17.346 10.274 1.00 20.46 C ATOM 1091 O PRO A 621 24.216 -17.168 11.470 1.00 17.91 O ATOM 1092 CB PRO A 621 22.371 -15.582 9.512 1.00 21.78 C ATOM 1093 CG PRO A 621 21.691 -15.102 10.766 1.00 25.95 C ATOM 1094 CD PRO A 621 20.812 -16.230 11.205 1.00 22.19 C ATOM 1095 N LEU A 622 24.883 -17.724 9.384 1.00 16.19 N ATOM 1096 CA LEU A 622 26.290 -17.874 9.762 1.00 14.97 C ATOM 1097 C LEU A 622 26.783 -16.499 10.234 1.00 17.93 C ATOM 1098 O LEU A 622 26.366 -15.474 9.681 1.00 17.91 O ATOM 1099 CB LEU A 622 27.134 -18.282 8.547 1.00 15.00 C ATOM 1100 CG LEU A 622 26.816 -19.639 7.961 1.00 17.58 C ATOM 1101 CD1 LEU A 622 27.477 -19.814 6.590 1.00 17.84 C ATOM 1102 CD2 LEU A 622 27.208 -20.774 8.932 1.00 18.84 C ATOM 1103 H LEU A 622 24.596 -17.915 8.403 1.00 0.00 H ATOM 1104 N GLY A 623 27.622 -16.497 11.258 1.00 15.06 N ATOM 1105 CA GLY A 623 28.175 -15.248 11.786 1.00 16.46 C ATOM 1106 C GLY A 623 29.422 -14.845 11.022 1.00 18.53 C ATOM 1107 O GLY A 623 29.896 -15.606 10.180 1.00 16.01 O ATOM 1108 H GLY A 623 27.894 -17.400 11.696 1.00 0.00 H ATOM 1109 N LEU A 624 29.980 -13.663 11.334 1.00 16.55 N ATOM 1110 CA LEU A 624 31.178 -13.149 10.658 1.00 16.24 C ATOM 1111 C LEU A 624 32.352 -14.146 10.711 1.00 17.68 C ATOM 1112 O LEU A 624 32.957 -14.420 9.679 1.00 16.09 O ATOM 1113 CB LEU A 624 31.579 -11.792 11.287 1.00 15.95 C ATOM 1114 CG LEU A 624 32.858 -11.153 10.748 1.00 20.36 C ATOM 1115 CD1 LEU A 624 32.801 -10.976 9.207 1.00 19.17 C ATOM 1116 CD2 LEU A 624 33.106 -9.794 11.406 1.00 23.28 C ATOM 1117 H LEU A 624 29.546 -13.089 12.085 1.00 0.00 H ATOM 1118 N GLY A 625 32.653 -14.674 11.907 1.00 14.57 N ATOM 1119 CA GLY A 625 33.722 -15.650 12.095 1.00 14.74 C ATOM 1120 C GLY A 625 33.599 -16.837 11.151 1.00 16.53 C ATOM 1121 O GLY A 625 34.582 -17.240 10.528 1.00 15.18 O ATOM 1122 H GLY A 625 32.101 -14.375 12.736 1.00 0.00 H ATOM 1123 N GLN A 626 32.390 -17.416 11.053 1.00 13.29 N ATOM 1124 CA GLN A 626 32.128 -18.557 10.158 1.00 12.49 C ATOM 1125 C GLN A 626 32.307 -18.153 8.693 1.00 14.26 C ATOM 1126 O GLN A 626 32.894 -18.917 7.918 1.00 12.50 O ATOM 1127 CB GLN A 626 30.705 -19.088 10.374 1.00 12.71 C ATOM 1128 CG GLN A 626 30.577 -19.797 11.732 1.00 17.43 C ATOM 1129 CD GLN A 626 29.128 -19.997 12.093 1.00 22.11 C ATOM 1130 OE1 GLN A 626 28.375 -19.041 12.232 1.00 21.51 O ATOM 1131 NE2 GLN A 626 28.711 -21.242 12.260 1.00 15.87 N ATOM 1132 HE22 GLN A 626 29.374 -22.034 12.135 1.00 0.00 H ATOM 1133 HE21 GLN A 626 27.720 -21.429 12.516 1.00 0.00 H ATOM 1134 H GLN A 626 31.609 -17.044 11.631 1.00 0.00 H ATOM 1135 N LEU A 627 31.787 -16.989 8.307 1.00 13.17 N ATOM 1136 CA LEU A 627 31.936 -16.523 6.916 1.00 13.21 C ATOM 1137 C LEU A 627 33.412 -16.320 6.560 1.00 14.73 C ATOM 1138 O LEU A 627 33.828 -16.667 5.459 1.00 14.41 O ATOM 1139 CB LEU A 627 31.127 -15.220 6.680 1.00 13.57 C ATOM 1140 CG LEU A 627 29.605 -15.323 6.817 1.00 15.49 C ATOM 1141 CD1 LEU A 627 28.983 -13.942 6.771 1.00 15.14 C ATOM 1142 CD2 LEU A 627 28.987 -16.188 5.710 1.00 16.46 C ATOM 1143 H LEU A 627 31.271 -16.403 8.994 1.00 0.00 H ATOM 1144 N LEU A 628 34.223 -15.781 7.494 1.00 12.72 N ATOM 1145 CA LEU A 628 35.668 -15.609 7.226 1.00 11.94 C ATOM 1146 C LEU A 628 36.356 -16.952 7.137 1.00 15.88 C ATOM 1147 O LEU A 628 37.287 -17.107 6.349 1.00 15.01 O ATOM 1148 CB LEU A 628 36.358 -14.765 8.301 1.00 12.05 C ATOM 1149 CG LEU A 628 35.922 -13.296 8.330 1.00 17.15 C ATOM 1150 CD1 LEU A 628 36.291 -12.658 9.686 1.00 18.88 C ATOM 1151 CD2 LEU A 628 36.596 -12.508 7.146 1.00 19.70 C ATOM 1152 H LEU A 628 33.829 -15.484 8.410 1.00 0.00 H ATOM 1153 N ALA A 629 35.908 -17.933 7.951 1.00 14.45 N ATOM 1154 CA ALA A 629 36.504 -19.273 7.944 1.00 14.79 C ATOM 1155 C ALA A 629 36.219 -19.927 6.592 1.00 14.80 C ATOM 1156 O ALA A 629 37.094 -20.583 6.045 1.00 15.19 O ATOM 1157 CB ALA A 629 35.944 -20.126 9.081 1.00 15.99 C ATOM 1158 H ALA A 629 35.120 -17.733 8.599 1.00 0.00 H ATOM 1159 N VAL A 630 35.003 -19.739 6.049 1.00 11.27 N ATOM 1160 CA VAL A 630 34.641 -20.298 4.726 1.00 11.93 C ATOM 1161 C VAL A 630 35.560 -19.642 3.670 1.00 15.00 C ATOM 1162 O VAL A 630 36.174 -20.349 2.849 1.00 13.73 O ATOM 1163 CB VAL A 630 33.147 -20.033 4.414 1.00 15.24 C ATOM 1164 CG1 VAL A 630 32.810 -20.383 2.961 1.00 13.55 C ATOM 1165 CG2 VAL A 630 32.238 -20.800 5.385 1.00 15.34 C ATOM 1166 H VAL A 630 34.296 -19.185 6.573 1.00 0.00 H ATOM 1167 N ALA A 631 35.644 -18.310 3.707 1.00 12.41 N ATOM 1168 CA ALA A 631 36.437 -17.522 2.744 1.00 13.48 C ATOM 1169 C ALA A 631 37.913 -17.886 2.781 1.00 15.90 C ATOM 1170 O ALA A 631 38.531 -18.068 1.736 1.00 14.81 O ATOM 1171 CB ALA A 631 36.244 -16.027 3.024 1.00 14.00 C ATOM 1172 H ALA A 631 35.125 -17.803 4.452 1.00 0.00 H ATOM 1173 N SER A 632 38.471 -18.015 3.980 1.00 14.58 N ATOM 1174 CA SER A 632 39.885 -18.340 4.141 1.00 14.42 C ATOM 1175 C SER A 632 40.197 -19.716 3.565 1.00 16.73 C ATOM 1176 O SER A 632 41.251 -19.890 2.955 1.00 15.88 O ATOM 1177 CB SER A 632 40.277 -18.291 5.617 1.00 19.42 C ATOM 1178 OG SER A 632 41.681 -18.454 5.709 1.00 29.62 O ATOM 1179 HG SER A 632 41.937 -19.327 5.318 1.00 0.00 H ATOM 1180 H SER A 632 37.884 -17.881 4.828 1.00 0.00 H ATOM 1181 N GLN A 633 39.299 -20.698 3.759 1.00 13.42 N ATOM 1182 CA GLN A 633 39.531 -22.057 3.270 1.00 13.78 C ATOM 1183 C GLN A 633 39.502 -22.099 1.748 1.00 16.28 C ATOM 1184 O GLN A 633 40.334 -22.767 1.138 1.00 14.60 O ATOM 1185 CB GLN A 633 38.505 -23.033 3.844 1.00 15.29 C ATOM 1186 CG GLN A 633 38.737 -23.289 5.344 1.00 15.43 C ATOM 1187 CD GLN A 633 37.634 -24.179 5.832 1.00 20.00 C ATOM 1188 OE1 GLN A 633 37.723 -25.394 5.700 1.00 16.63 O ATOM 1189 NE2 GLN A 633 36.549 -23.585 6.352 1.00 17.29 N ATOM 1190 HE22 GLN A 633 36.517 -22.550 6.445 1.00 0.00 H ATOM 1191 HE21 GLN A 633 35.740 -24.160 6.662 1.00 0.00 H ATOM 1192 H GLN A 633 38.418 -20.486 4.269 1.00 0.00 H ATOM 1193 N VAL A 634 38.534 -21.387 1.137 1.00 13.16 N ATOM 1194 CA VAL A 634 38.486 -21.349 -0.334 1.00 12.78 C ATOM 1195 C VAL A 634 39.794 -20.669 -0.828 1.00 13.70 C ATOM 1196 O VAL A 634 40.440 -21.177 -1.766 1.00 12.84 O ATOM 1197 CB VAL A 634 37.224 -20.622 -0.855 1.00 14.32 C ATOM 1198 CG1 VAL A 634 37.273 -20.491 -2.391 1.00 12.22 C ATOM 1199 CG2 VAL A 634 35.950 -21.359 -0.431 1.00 14.08 C ATOM 1200 H VAL A 634 37.828 -20.870 1.699 1.00 0.00 H ATOM 1201 N ALA A 635 40.193 -19.539 -0.201 1.00 12.23 N ATOM 1202 CA ALA A 635 41.434 -18.864 -0.644 1.00 12.83 C ATOM 1203 C ALA A 635 42.638 -19.816 -0.510 1.00 17.69 C ATOM 1204 O ALA A 635 43.510 -19.801 -1.368 1.00 16.39 O ATOM 1205 CB ALA A 635 41.677 -17.591 0.168 1.00 14.12 C ATOM 1206 H ALA A 635 39.634 -19.148 0.584 1.00 0.00 H ATOM 1207 N ALA A 636 42.676 -20.669 0.550 1.00 14.42 N ATOM 1208 CA ALA A 636 43.811 -21.574 0.726 1.00 15.22 C ATOM 1209 C ALA A 636 43.911 -22.576 -0.428 1.00 16.81 C ATOM 1210 O ALA A 636 45.017 -22.851 -0.912 1.00 16.10 O ATOM 1211 CB ALA A 636 43.731 -22.295 2.087 1.00 16.18 C ATOM 1212 H ALA A 636 41.895 -20.677 1.237 1.00 0.00 H ATOM 1213 N GLY A 637 42.771 -23.084 -0.883 1.00 13.81 N ATOM 1214 CA GLY A 637 42.725 -24.012 -2.007 1.00 13.88 C ATOM 1215 C GLY A 637 43.236 -23.325 -3.266 1.00 16.90 C ATOM 1216 O GLY A 637 43.970 -23.928 -4.050 1.00 14.78 O ATOM 1217 H GLY A 637 41.880 -22.810 -0.421 1.00 0.00 H ATOM 1218 N MET A 638 42.868 -22.046 -3.452 1.00 13.96 N ATOM 1219 CA MET A 638 43.289 -21.261 -4.621 1.00 12.44 C ATOM 1220 C MET A 638 44.782 -20.921 -4.573 1.00 15.81 C ATOM 1221 O MET A 638 45.436 -20.856 -5.628 1.00 15.74 O ATOM 1222 CB MET A 638 42.420 -20.013 -4.801 1.00 13.33 C ATOM 1223 CG MET A 638 40.953 -20.306 -5.152 1.00 15.16 C ATOM 1224 SD MET A 638 40.734 -21.426 -6.576 1.00 18.80 S ATOM 1225 CE MET A 638 41.162 -20.300 -7.900 1.00 16.64 C ATOM 1226 H MET A 638 42.260 -21.593 -2.740 1.00 0.00 H ATOM 1227 N VAL A 639 45.338 -20.727 -3.367 1.00 13.32 N ATOM 1228 CA VAL A 639 46.791 -20.479 -3.217 1.00 13.88 C ATOM 1229 C VAL A 639 47.547 -21.716 -3.765 1.00 17.05 C ATOM 1230 O VAL A 639 48.528 -21.586 -4.497 1.00 17.47 O ATOM 1231 CB VAL A 639 47.190 -20.193 -1.747 1.00 17.33 C ATOM 1232 CG1 VAL A 639 48.709 -20.267 -1.563 1.00 18.22 C ATOM 1233 CG2 VAL A 639 46.663 -18.832 -1.310 1.00 16.56 C ATOM 1234 H VAL A 639 44.736 -20.751 -2.519 1.00 0.00 H ATOM 1235 N TYR A 640 47.071 -22.904 -3.389 1.00 15.74 N ATOM 1236 CA TYR A 640 47.660 -24.169 -3.820 1.00 15.37 C ATOM 1237 C TYR A 640 47.618 -24.315 -5.332 1.00 18.03 C ATOM 1238 O TYR A 640 48.627 -24.681 -5.947 1.00 17.25 O ATOM 1239 CB TYR A 640 46.953 -25.343 -3.141 1.00 17.02 C ATOM 1240 CG TYR A 640 47.327 -26.687 -3.724 1.00 18.50 C ATOM 1241 CD1 TYR A 640 48.555 -27.279 -3.432 1.00 21.04 C ATOM 1242 CD2 TYR A 640 46.459 -27.365 -4.577 1.00 19.51 C ATOM 1243 CE1 TYR A 640 48.897 -28.525 -3.950 1.00 22.54 C ATOM 1244 CE2 TYR A 640 46.793 -28.613 -5.109 1.00 20.46 C ATOM 1245 CZ TYR A 640 48.010 -29.189 -4.784 1.00 25.57 C ATOM 1246 OH TYR A 640 48.344 -30.400 -5.311 1.00 26.50 O ATOM 1247 HH TYR A 640 49.238 -30.667 -4.981 1.00 0.00 H ATOM 1248 H TYR A 640 46.243 -22.931 -2.760 1.00 0.00 H ATOM 1249 N LEU A 641 46.450 -24.059 -5.936 1.00 15.11 N ATOM 1250 CA LEU A 641 46.304 -24.162 -7.391 1.00 15.70 C ATOM 1251 C LEU A 641 47.194 -23.171 -8.110 1.00 19.06 C ATOM 1252 O LEU A 641 47.832 -23.561 -9.086 1.00 17.29 O ATOM 1253 CB LEU A 641 44.840 -23.993 -7.837 1.00 15.24 C ATOM 1254 CG LEU A 641 43.863 -25.058 -7.356 1.00 18.55 C ATOM 1255 CD1 LEU A 641 42.467 -24.792 -7.939 1.00 19.92 C ATOM 1256 CD2 LEU A 641 44.344 -26.465 -7.766 1.00 18.16 C ATOM 1257 H LEU A 641 45.629 -23.781 -5.360 1.00 0.00 H ATOM 1258 N ALA A 642 47.270 -21.907 -7.617 1.00 17.51 N ATOM 1259 CA ALA A 642 48.125 -20.885 -8.244 1.00 18.14 C ATOM 1260 C ALA A 642 49.598 -21.312 -8.173 1.00 23.36 C ATOM 1261 O ALA A 642 50.347 -21.042 -9.111 1.00 22.64 O ATOM 1262 CB ALA A 642 47.952 -19.539 -7.550 1.00 19.00 C ATOM 1263 H ALA A 642 46.711 -21.655 -6.777 1.00 0.00 H ATOM 1264 N GLY A 643 49.983 -21.975 -7.076 1.00 21.78 N ATOM 1265 CA GLY A 643 51.352 -22.455 -6.879 1.00 22.81 C ATOM 1266 C GLY A 643 51.753 -23.482 -7.928 1.00 25.18 C ATOM 1267 O GLY A 643 52.931 -23.606 -8.258 1.00 25.25 O ATOM 1268 H GLY A 643 49.280 -22.157 -6.332 1.00 0.00 H ATOM 1269 N LEU A 644 50.772 -24.223 -8.454 1.00 20.76 N ATOM 1270 CA LEU A 644 50.962 -25.242 -9.498 1.00 21.89 C ATOM 1271 C LEU A 644 50.754 -24.651 -10.909 1.00 25.06 C ATOM 1272 O LEU A 644 50.794 -25.397 -11.886 1.00 24.57 O ATOM 1273 CB LEU A 644 49.913 -26.348 -9.299 1.00 23.04 C ATOM 1274 CG LEU A 644 50.037 -27.231 -8.046 1.00 27.66 C ATOM 1275 CD1 LEU A 644 48.955 -28.261 -8.044 1.00 28.53 C ATOM 1276 CD2 LEU A 644 51.399 -27.962 -8.011 1.00 30.70 C ATOM 1277 H LEU A 644 49.806 -24.068 -8.100 1.00 0.00 H ATOM 1278 N HIS A 645 50.460 -23.339 -11.011 1.00 22.35 N ATOM 1279 CA HIS A 645 50.175 -22.672 -12.293 1.00 23.81 C ATOM 1280 C HIS A 645 48.931 -23.327 -12.934 1.00 23.85 C ATOM 1281 O HIS A 645 48.833 -23.470 -14.158 1.00 24.36 O ATOM 1282 CB HIS A 645 51.401 -22.697 -13.253 1.00 26.93 C ATOM 1283 CG HIS A 645 52.662 -22.176 -12.636 1.00 32.77 C ATOM 1284 ND1 HIS A 645 52.931 -20.828 -12.591 1.00 36.03 N ATOM 1285 CD2 HIS A 645 53.695 -22.849 -12.077 1.00 36.95 C ATOM 1286 CE1 HIS A 645 54.101 -20.713 -11.984 1.00 36.39 C ATOM 1287 NE2 HIS A 645 54.599 -21.904 -11.655 1.00 37.08 N ATOM 1288 H HIS A 645 50.433 -22.770 -10.141 1.00 0.00 H ATOM 1289 N PHE A 646 47.993 -23.751 -12.079 1.00 17.82 N ATOM 1290 CA PHE A 646 46.755 -24.366 -12.504 1.00 16.18 C ATOM 1291 C PHE A 646 45.692 -23.266 -12.445 1.00 18.70 C ATOM 1292 O PHE A 646 45.566 -22.604 -11.424 1.00 17.04 O ATOM 1293 CB PHE A 646 46.365 -25.485 -11.533 1.00 18.08 C ATOM 1294 CG PHE A 646 45.119 -26.229 -11.943 1.00 20.25 C ATOM 1295 CD1 PHE A 646 45.200 -27.353 -12.757 1.00 24.68 C ATOM 1296 CD2 PHE A 646 43.862 -25.808 -11.517 1.00 21.00 C ATOM 1297 CE1 PHE A 646 44.045 -28.055 -13.115 1.00 25.43 C ATOM 1298 CE2 PHE A 646 42.704 -26.492 -11.908 1.00 23.96 C ATOM 1299 CZ PHE A 646 42.810 -27.618 -12.692 1.00 23.40 C ATOM 1300 H PHE A 646 48.162 -23.633 -11.060 1.00 0.00 H ATOM 1301 N VAL A 647 44.934 -23.115 -13.530 1.00 15.94 N ATOM 1302 CA VAL A 647 43.860 -22.126 -13.654 1.00 14.67 C ATOM 1303 C VAL A 647 42.578 -22.926 -13.583 1.00 16.36 C ATOM 1304 O VAL A 647 42.355 -23.812 -14.412 1.00 15.50 O ATOM 1305 CB VAL A 647 43.971 -21.366 -15.001 1.00 17.14 C ATOM 1306 CG1 VAL A 647 42.795 -20.401 -15.166 1.00 16.99 C ATOM 1307 CG2 VAL A 647 45.322 -20.643 -15.133 1.00 16.31 C ATOM 1308 H VAL A 647 45.116 -23.739 -14.341 1.00 0.00 H ATOM 1309 N HIS A 648 41.746 -22.644 -12.579 1.00 14.54 N ATOM 1310 CA HIS A 648 40.478 -23.361 -12.363 1.00 14.19 C ATOM 1311 C HIS A 648 39.464 -23.076 -13.478 1.00 17.56 C ATOM 1312 O HIS A 648 38.885 -24.013 -14.038 1.00 17.58 O ATOM 1313 CB HIS A 648 39.906 -22.997 -10.967 1.00 14.59 C ATOM 1314 CG HIS A 648 38.710 -23.816 -10.575 1.00 17.19 C ATOM 1315 ND1 HIS A 648 37.506 -23.683 -11.225 1.00 17.45 N ATOM 1316 CD2 HIS A 648 38.582 -24.750 -9.598 1.00 19.00 C ATOM 1317 CE1 HIS A 648 36.671 -24.528 -10.631 1.00 17.78 C ATOM 1318 NE2 HIS A 648 37.278 -25.200 -9.644 1.00 17.89 N ATOM 1319 H HIS A 648 42.005 -21.883 -11.919 1.00 0.00 H ATOM 1320 N ARG A 649 39.224 -21.778 -13.776 1.00 15.02 N ATOM 1321 CA ARG A 649 38.333 -21.232 -14.816 1.00 13.87 C ATOM 1322 C ARG A 649 36.868 -21.160 -14.422 1.00 16.37 C ATOM 1323 O ARG A 649 36.099 -20.473 -15.103 1.00 17.10 O ATOM 1324 CB ARG A 649 38.471 -21.968 -16.186 1.00 14.03 C ATOM 1325 CG ARG A 649 39.888 -22.139 -16.717 1.00 18.51 C ATOM 1326 CD ARG A 649 39.902 -23.238 -17.794 1.00 21.15 C ATOM 1327 NE ARG A 649 38.999 -22.900 -18.890 1.00 18.96 N ATOM 1328 CZ ARG A 649 39.372 -22.266 -19.999 1.00 24.92 C ATOM 1329 NH1 ARG A 649 40.645 -21.947 -20.193 1.00 17.71 N ATOM 1330 NH2 ARG A 649 38.477 -21.954 -20.923 1.00 16.05 N ATOM 1331 HE ARG A 649 37.999 -23.172 -18.798 1.00 0.00 H ATOM 1332 HH12 ARG A 649 40.930 -21.452 -21.062 1.00 0.00 H ATOM 1333 HH11 ARG A 649 41.358 -22.192 -19.476 1.00 0.00 H ATOM 1334 HH22 ARG A 649 38.774 -21.459 -21.788 1.00 0.00 H ATOM 1335 HH21 ARG A 649 37.477 -22.204 -20.784 1.00 0.00 H ATOM 1336 H ARG A 649 39.732 -21.078 -13.199 1.00 0.00 H ATOM 1337 N ASP A 650 36.463 -21.846 -13.329 1.00 13.60 N ATOM 1338 CA ASP A 650 35.062 -21.796 -12.915 1.00 13.56 C ATOM 1339 C ASP A 650 34.915 -21.773 -11.411 1.00 15.26 C ATOM 1340 O ASP A 650 34.124 -22.546 -10.834 1.00 16.14 O ATOM 1341 CB ASP A 650 34.271 -22.942 -13.544 1.00 14.73 C ATOM 1342 CG ASP A 650 32.752 -22.831 -13.510 1.00 20.10 C ATOM 1343 OD1 ASP A 650 32.221 -21.735 -13.153 1.00 17.52 O ATOM 1344 OD2 ASP A 650 32.096 -23.824 -13.799 1.00 21.14 O ATOM 1345 H ASP A 650 37.147 -22.408 -12.784 1.00 0.00 H ATOM 1346 N LEU A 651 35.684 -20.895 -10.765 1.00 11.69 N ATOM 1347 CA LEU A 651 35.563 -20.774 -9.303 1.00 11.78 C ATOM 1348 C LEU A 651 34.246 -20.049 -8.971 1.00 15.28 C ATOM 1349 O LEU A 651 33.951 -18.957 -9.496 1.00 13.01 O ATOM 1350 CB LEU A 651 36.775 -20.067 -8.661 1.00 11.82 C ATOM 1351 CG LEU A 651 36.718 -19.929 -7.137 1.00 18.06 C ATOM 1352 CD1 LEU A 651 36.856 -21.304 -6.461 1.00 19.42 C ATOM 1353 CD2 LEU A 651 37.805 -18.964 -6.647 1.00 19.83 C ATOM 1354 H LEU A 651 36.361 -20.303 -11.288 1.00 0.00 H ATOM 1355 N ALA A 652 33.426 -20.692 -8.111 1.00 12.63 N ATOM 1356 CA ALA A 652 32.138 -20.126 -7.683 1.00 11.81 C ATOM 1357 C ALA A 652 31.699 -20.988 -6.501 1.00 13.03 C ATOM 1358 O ALA A 652 32.183 -22.117 -6.382 1.00 12.98 O ATOM 1359 CB ALA A 652 31.114 -20.192 -8.822 1.00 13.02 C ATOM 1360 H ALA A 652 33.716 -21.619 -7.739 1.00 0.00 H ATOM 1361 N THR A 653 30.811 -20.483 -5.635 1.00 10.02 N ATOM 1362 CA THR A 653 30.412 -21.299 -4.468 1.00 10.69 C ATOM 1363 C THR A 653 29.740 -22.620 -4.882 1.00 15.64 C ATOM 1364 O THR A 653 29.876 -23.605 -4.152 1.00 14.08 O ATOM 1365 CB THR A 653 29.596 -20.517 -3.440 1.00 12.90 C ATOM 1366 OG1 THR A 653 28.329 -20.120 -3.971 1.00 12.97 O ATOM 1367 CG2 THR A 653 30.371 -19.304 -2.861 1.00 11.26 C ATOM 1368 HG1 THR A 653 28.471 -19.544 -4.764 1.00 0.00 H ATOM 1369 H THR A 653 30.410 -19.535 -5.780 1.00 0.00 H ATOM 1370 N ARG A 654 29.046 -22.656 -6.041 1.00 13.93 N ATOM 1371 CA ARG A 654 28.408 -23.916 -6.513 1.00 13.32 C ATOM 1372 C ARG A 654 29.494 -24.992 -6.760 1.00 17.28 C ATOM 1373 O ARG A 654 29.173 -26.178 -6.800 1.00 17.95 O ATOM 1374 CB ARG A 654 27.585 -23.682 -7.810 1.00 12.32 C ATOM 1375 CG ARG A 654 28.460 -23.234 -9.009 1.00 16.62 C ATOM 1376 CD ARG A 654 27.711 -23.052 -10.332 1.00 19.69 C ATOM 1377 NE ARG A 654 28.623 -22.440 -11.303 1.00 16.07 N ATOM 1378 CZ ARG A 654 28.864 -21.133 -11.368 1.00 22.01 C ATOM 1379 NH1 ARG A 654 28.239 -20.295 -10.554 1.00 14.39 N ATOM 1380 NH2 ARG A 654 29.755 -20.658 -12.230 1.00 16.91 N ATOM 1381 HE ARG A 654 29.109 -23.063 -11.979 1.00 0.00 H ATOM 1382 HH12 ARG A 654 28.432 -19.275 -10.610 1.00 0.00 H ATOM 1383 HH11 ARG A 654 27.555 -20.658 -9.859 1.00 0.00 H ATOM 1384 HH22 ARG A 654 29.940 -19.636 -12.277 1.00 0.00 H ATOM 1385 HH21 ARG A 654 30.268 -21.308 -12.859 1.00 0.00 H ATOM 1386 H ARG A 654 28.956 -21.791 -6.612 1.00 0.00 H ATOM 1387 N ASN A 655 30.754 -24.576 -7.000 1.00 14.00 N ATOM 1388 CA ASN A 655 31.879 -25.484 -7.259 1.00 14.63 C ATOM 1389 C ASN A 655 32.760 -25.747 -6.042 1.00 18.40 C ATOM 1390 O ASN A 655 33.836 -26.315 -6.181 1.00 19.08 O ATOM 1391 CB ASN A 655 32.711 -25.056 -8.484 1.00 13.71 C ATOM 1392 CG ASN A 655 31.950 -25.341 -9.747 1.00 20.12 C ATOM 1393 OD1 ASN A 655 31.176 -26.309 -9.816 1.00 17.44 O ATOM 1394 ND2 ASN A 655 32.139 -24.526 -10.772 1.00 15.80 N ATOM 1395 HD22 ASN A 655 32.794 -23.723 -10.684 1.00 0.00 H ATOM 1396 HD21 ASN A 655 31.632 -24.688 -11.666 1.00 0.00 H ATOM 1397 H ASN A 655 30.940 -23.553 -7.002 1.00 0.00 H ATOM 1398 N CYS A 656 32.308 -25.343 -4.853 1.00 14.22 N ATOM 1399 CA CYS A 656 32.982 -25.663 -3.596 1.00 12.25 C ATOM 1400 C CYS A 656 32.049 -26.603 -2.839 1.00 15.90 C ATOM 1401 O CYS A 656 30.836 -26.593 -3.075 1.00 14.81 O ATOM 1402 CB CYS A 656 33.280 -24.418 -2.773 1.00 13.08 C ATOM 1403 SG CYS A 656 34.360 -23.246 -3.634 1.00 16.91 S ATOM 1404 H CYS A 656 31.437 -24.775 -4.819 1.00 0.00 H ATOM 1405 N LEU A 657 32.626 -27.391 -1.933 1.00 13.25 N ATOM 1406 CA LEU A 657 31.869 -28.378 -1.151 1.00 14.67 C ATOM 1407 C LEU A 657 32.068 -28.172 0.325 1.00 16.10 C ATOM 1408 O LEU A 657 33.117 -27.702 0.754 1.00 15.54 O ATOM 1409 CB LEU A 657 32.367 -29.778 -1.546 1.00 15.31 C ATOM 1410 CG LEU A 657 31.920 -30.222 -2.955 1.00 21.16 C ATOM 1411 CD1 LEU A 657 32.576 -31.477 -3.301 1.00 23.96 C ATOM 1412 CD2 LEU A 657 30.425 -30.421 -3.033 1.00 23.03 C ATOM 1413 H LEU A 657 33.650 -27.304 -1.773 1.00 0.00 H ATOM 1414 N VAL A 658 31.057 -28.561 1.125 1.00 14.22 N ATOM 1415 CA VAL A 658 31.161 -28.344 2.551 1.00 13.94 C ATOM 1416 C VAL A 658 31.003 -29.696 3.285 1.00 18.23 C ATOM 1417 O VAL A 658 30.053 -30.415 3.009 1.00 17.47 O ATOM 1418 CB VAL A 658 30.069 -27.339 3.014 1.00 16.45 C ATOM 1419 CG1 VAL A 658 30.259 -26.976 4.493 1.00 16.49 C ATOM 1420 CG2 VAL A 658 30.029 -26.085 2.130 1.00 15.60 C ATOM 1421 H VAL A 658 30.211 -29.012 0.722 1.00 0.00 H ATOM 1422 N GLY A 659 31.934 -30.002 4.163 1.00 17.30 N ATOM 1423 CA GLY A 659 31.900 -31.228 4.970 1.00 19.98 C ATOM 1424 C GLY A 659 31.527 -30.907 6.401 1.00 24.32 C ATOM 1425 O GLY A 659 31.401 -29.734 6.757 1.00 21.62 O ATOM 1426 H GLY A 659 32.730 -29.345 4.291 1.00 0.00 H ATOM 1427 N GLN A 660 31.359 -31.929 7.261 1.00 24.42 N ATOM 1428 CA GLN A 660 31.014 -31.631 8.663 1.00 24.58 C ATOM 1429 C GLN A 660 32.130 -30.839 9.357 1.00 24.59 C ATOM 1430 O GLN A 660 33.298 -30.981 9.017 1.00 26.25 O ATOM 1431 CB GLN A 660 30.626 -32.910 9.449 1.00 27.32 C ATOM 1432 CG GLN A 660 29.555 -32.627 10.504 1.00 45.00 C ATOM 1433 CD GLN A 660 29.001 -33.885 11.132 1.00 59.67 C ATOM 1434 OE1 GLN A 660 27.979 -34.436 10.693 1.00 52.68 O ATOM 1435 NE2 GLN A 660 29.654 -34.355 12.192 1.00 45.83 N ATOM 1436 HE22 GLN A 660 30.507 -33.869 12.534 1.00 0.00 H ATOM 1437 HE21 GLN A 660 29.311 -35.208 12.678 1.00 0.00 H ATOM 1438 H GLN A 660 31.471 -32.912 6.942 1.00 0.00 H ATOM 1439 N GLY A 661 31.755 -29.944 10.260 1.00 19.51 N ATOM 1440 CA GLY A 661 32.724 -29.116 10.973 1.00 19.04 C ATOM 1441 C GLY A 661 33.110 -27.874 10.174 1.00 18.09 C ATOM 1442 O GLY A 661 34.182 -27.321 10.401 1.00 17.27 O ATOM 1443 H GLY A 661 30.742 -29.828 10.467 1.00 0.00 H ATOM 1444 N LEU A 662 32.239 -27.423 9.256 1.00 17.61 N ATOM 1445 CA LEU A 662 32.492 -26.231 8.396 1.00 17.55 C ATOM 1446 C LEU A 662 33.810 -26.377 7.578 1.00 19.19 C ATOM 1447 O LEU A 662 34.541 -25.405 7.371 1.00 17.74 O ATOM 1448 CB LEU A 662 32.489 -24.931 9.239 1.00 17.51 C ATOM 1449 CG LEU A 662 32.102 -23.647 8.473 1.00 21.05 C ATOM 1450 CD1 LEU A 662 30.615 -23.613 8.180 1.00 21.05 C ATOM 1451 CD2 LEU A 662 32.480 -22.408 9.284 1.00 19.67 C ATOM 1452 H LEU A 662 31.340 -27.932 9.139 1.00 0.00 H ATOM 1453 N VAL A 663 34.105 -27.609 7.113 1.00 16.62 N ATOM 1454 CA VAL A 663 35.298 -27.857 6.305 1.00 17.07 C ATOM 1455 C VAL A 663 34.896 -27.507 4.865 1.00 18.16 C ATOM 1456 O VAL A 663 33.891 -28.000 4.368 1.00 19.01 O ATOM 1457 CB VAL A 663 35.857 -29.293 6.472 1.00 22.01 C ATOM 1458 CG1 VAL A 663 37.005 -29.559 5.485 1.00 22.34 C ATOM 1459 CG2 VAL A 663 36.346 -29.506 7.916 1.00 22.26 C ATOM 1460 H VAL A 663 33.468 -28.401 7.335 1.00 0.00 H ATOM 1461 N VAL A 664 35.651 -26.618 4.211 1.00 14.37 N ATOM 1462 CA VAL A 664 35.284 -26.177 2.869 1.00 13.84 C ATOM 1463 C VAL A 664 36.403 -26.514 1.903 1.00 15.69 C ATOM 1464 O VAL A 664 37.570 -26.248 2.187 1.00 15.12 O ATOM 1465 CB VAL A 664 34.892 -24.657 2.809 1.00 16.76 C ATOM 1466 CG1 VAL A 664 34.567 -24.223 1.372 1.00 15.62 C ATOM 1467 CG2 VAL A 664 33.695 -24.358 3.731 1.00 16.56 C ATOM 1468 H VAL A 664 36.507 -26.238 4.663 1.00 0.00 H ATOM 1469 N LYS A 665 36.029 -27.098 0.760 1.00 13.67 N ATOM 1470 CA LYS A 665 37.043 -27.471 -0.230 1.00 14.42 C ATOM 1471 C LYS A 665 36.601 -27.104 -1.619 1.00 16.47 C ATOM 1472 O LYS A 665 35.414 -27.077 -1.903 1.00 15.40 O ATOM 1473 CB LYS A 665 37.300 -28.994 -0.184 1.00 15.65 C ATOM 1474 CG LYS A 665 37.728 -29.521 1.180 1.00 15.45 C ATOM 1475 CD LYS A 665 38.180 -30.987 1.140 1.00 14.95 C ATOM 1476 CE LYS A 665 38.376 -31.535 2.552 1.00 19.05 C ATOM 1477 NZ LYS A 665 39.165 -32.816 2.513 1.00 19.22 N ATOM 1478 HZ1 LYS A 665 38.653 -33.520 1.944 1.00 0.00 H ATOM 1479 HZ2 LYS A 665 40.096 -32.635 2.087 1.00 0.00 H ATOM 1480 HZ3 LYS A 665 39.289 -33.175 3.481 1.00 0.00 H ATOM 1481 H LYS A 665 35.023 -27.287 0.574 1.00 0.00 H ATOM 1482 N ILE A 666 37.566 -26.931 -2.514 1.00 13.46 N ATOM 1483 CA ILE A 666 37.241 -26.639 -3.903 1.00 12.68 C ATOM 1484 C ILE A 666 37.036 -27.933 -4.682 1.00 18.25 C ATOM 1485 O ILE A 666 37.825 -28.870 -4.543 1.00 20.13 O ATOM 1486 CB ILE A 666 38.376 -25.794 -4.541 1.00 15.53 C ATOM 1487 CG1 ILE A 666 38.470 -24.396 -3.827 1.00 16.09 C ATOM 1488 CG2 ILE A 666 38.133 -25.615 -6.073 1.00 18.36 C ATOM 1489 CD1 ILE A 666 39.726 -23.653 -4.102 1.00 21.86 C ATOM 1490 H ILE A 666 38.561 -27.005 -2.221 1.00 0.00 H ATOM 1491 N GLY A 667 36.022 -27.925 -5.530 1.00 16.85 N ATOM 1492 CA GLY A 667 35.714 -28.974 -6.508 1.00 19.71 C ATOM 1493 C GLY A 667 35.418 -28.375 -7.892 1.00 26.35 C ATOM 1494 O GLY A 667 35.805 -27.232 -8.223 1.00 22.72 O ATOM 1495 H GLY A 667 35.386 -27.102 -5.501 1.00 0.00 H ATOM 1496 N ASP A 668 34.686 -29.139 -8.721 1.00 26.44 N ATOM 1497 CA ASP A 668 34.271 -28.717 -10.068 1.00 26.65 C ATOM 1498 C ASP A 668 33.330 -29.825 -10.533 1.00 35.38 C ATOM 1499 O ASP A 668 33.794 -30.931 -10.838 1.00 36.15 O ATOM 1500 CB ASP A 668 35.486 -28.598 -11.012 1.00 28.66 C ATOM 1501 CG ASP A 668 35.195 -27.930 -12.345 1.00 47.29 C ATOM 1502 OD1 ASP A 668 36.148 -27.699 -13.108 1.00 51.07 O ATOM 1503 OD2 ASP A 668 34.015 -27.644 -12.621 1.00 50.08 O ATOM 1504 H ASP A 668 34.397 -30.082 -8.392 1.00 0.00 H ATOM 1505 N PHE A 669 32.019 -29.574 -10.502 1.00 34.58 N ATOM 1506 CA PHE A 669 31.034 -30.591 -10.904 1.00 36.49 C ATOM 1507 C PHE A 669 31.062 -30.861 -12.405 1.00 46.90 C ATOM 1508 O PHE A 669 30.791 -31.988 -12.817 1.00 47.03 O ATOM 1509 CB PHE A 669 29.607 -30.200 -10.467 1.00 37.31 C ATOM 1510 CG PHE A 669 29.323 -30.294 -8.981 1.00 38.39 C ATOM 1511 CD1 PHE A 669 28.487 -31.285 -8.479 1.00 40.72 C ATOM 1512 CD2 PHE A 669 29.876 -29.376 -8.087 1.00 39.68 C ATOM 1513 CE1 PHE A 669 28.209 -31.362 -7.108 1.00 41.49 C ATOM 1514 CE2 PHE A 669 29.600 -29.451 -6.718 1.00 42.11 C ATOM 1515 CZ PHE A 669 28.764 -30.445 -6.239 1.00 40.49 C ATOM 1516 H PHE A 669 31.687 -28.640 -10.187 1.00 0.00 H ATOM 1517 N GLY A 670 31.374 -29.832 -13.203 1.00 47.52 N ATOM 1518 CA GLY A 670 31.388 -29.932 -14.661 1.00 49.38 C ATOM 1519 C GLY A 670 29.956 -29.891 -15.154 1.00 57.37 C ATOM 1520 O GLY A 670 29.616 -29.119 -16.057 1.00 58.38 O ATOM 1521 H GLY A 670 31.617 -28.920 -12.766 1.00 0.00 H ATOM 1522 N MET A 671 29.099 -30.711 -14.504 1.00 55.65 N ATOM 1523 CA MET A 671 27.663 -30.857 -14.703 1.00 55.35 C ATOM 1524 C MET A 671 26.919 -29.645 -14.106 1.00 58.39 C ATOM 1525 O MET A 671 25.685 -29.589 -14.199 1.00 58.00 O ATOM 1526 CB MET A 671 27.171 -32.180 -14.074 1.00 57.69 C ATOM 1527 H MET A 671 29.519 -31.314 -13.768 1.00 0.00 H ATOM 1528 N SER A 672 27.674 -28.666 -13.501 1.00 53.93 N ATOM 1529 CA SER A 672 27.136 -27.414 -12.926 1.00 52.68 C ATOM 1530 C SER A 672 26.425 -26.663 -14.053 1.00 53.91 C ATOM 1531 O SER A 672 25.446 -25.964 -13.811 1.00 53.68 O ATOM 1532 CB SER A 672 28.264 -26.517 -12.409 1.00 56.16 C ATOM 1533 OG SER A 672 29.090 -27.103 -11.418 1.00 64.53 O ATOM 1534 HG SER A 672 28.539 -27.347 -10.633 1.00 0.00 H ATOM 1535 H SER A 672 28.701 -28.818 -13.444 1.00 0.00 H ATOM 1536 N ARG A 673 26.939 -26.823 -15.290 1.00 49.32 N ATOM 1537 CA ARG A 673 26.436 -26.211 -16.521 1.00 63.12 C ATOM 1538 C ARG A 673 25.071 -26.777 -16.897 1.00 96.93 C ATOM 1539 O ARG A 673 24.317 -26.121 -17.608 1.00 58.83 O ATOM 1540 CB ARG A 673 27.441 -26.410 -17.676 1.00 60.23 C ATOM 1541 CG ARG A 673 28.794 -25.776 -17.403 1.00 59.73 C ATOM 1542 CD ARG A 673 29.755 -25.853 -18.572 1.00 61.77 C ATOM 1543 NE ARG A 673 30.645 -24.688 -18.604 1.00 70.71 N ATOM 1544 CZ ARG A 673 31.769 -24.570 -17.900 1.00 84.42 C ATOM 1545 NH1 ARG A 673 32.165 -25.551 -17.097 1.00 71.10 N ATOM 1546 NH2 ARG A 673 32.504 -23.469 -17.992 1.00 68.85 N ATOM 1547 HE ARG A 673 30.379 -23.895 -19.222 1.00 0.00 H ATOM 1548 HH12 ARG A 673 33.044 -25.452 -16.550 1.00 0.00 H ATOM 1549 HH11 ARG A 673 31.596 -26.418 -17.015 1.00 0.00 H ATOM 1550 HH22 ARG A 673 33.381 -23.382 -17.440 1.00 0.00 H ATOM 1551 HH21 ARG A 673 32.203 -22.693 -18.616 1.00 0.00 H ATOM 1552 H ARG A 673 27.772 -27.440 -15.377 1.00 0.00 H TER 1553 ARG A 673 ATOM 1554 N ILE A 675 21.510 -27.975 -12.314 1.00 36.81 N ATOM 1555 CA ILE A 675 20.915 -27.196 -11.216 1.00 36.70 C ATOM 1556 C ILE A 675 21.270 -25.713 -11.397 1.00 36.11 C ATOM 1557 O ILE A 675 20.444 -24.818 -11.141 1.00 35.75 O ATOM 1558 CB ILE A 675 21.403 -27.741 -9.818 1.00 41.33 C ATOM 1559 CG1 ILE A 675 20.955 -29.207 -9.594 1.00 43.50 C ATOM 1560 CG2 ILE A 675 20.950 -26.846 -8.636 1.00 43.00 C ATOM 1561 CD1 ILE A 675 21.841 -30.040 -8.558 1.00 58.73 C ATOM 1562 HN3 ILE A 675 22.543 -27.859 -12.299 1.00 0.00 H ATOM 1563 HN2 ILE A 675 21.135 -27.634 -13.222 1.00 0.00 H ATOM 1564 HN1 ILE A 675 21.271 -28.980 -12.194 1.00 0.00 H ATOM 1565 N TYR A 676 22.508 -25.461 -11.831 1.00 29.20 N ATOM 1566 CA TYR A 676 23.014 -24.100 -11.985 1.00 26.18 C ATOM 1567 C TYR A 676 23.214 -23.650 -13.428 1.00 26.79 C ATOM 1568 O TYR A 676 24.049 -22.774 -13.651 1.00 23.97 O ATOM 1569 CB TYR A 676 24.321 -23.946 -11.171 1.00 25.46 C ATOM 1570 CG TYR A 676 24.150 -24.248 -9.697 1.00 25.81 C ATOM 1571 CD1 TYR A 676 23.513 -23.343 -8.848 1.00 27.76 C ATOM 1572 CD2 TYR A 676 24.604 -25.447 -9.152 1.00 25.55 C ATOM 1573 CE1 TYR A 676 23.333 -23.620 -7.493 1.00 26.62 C ATOM 1574 CE2 TYR A 676 24.436 -25.735 -7.793 1.00 25.29 C ATOM 1575 CZ TYR A 676 23.799 -24.816 -6.969 1.00 29.75 C ATOM 1576 OH TYR A 676 23.610 -25.080 -5.632 1.00 25.80 O ATOM 1577 HH TYR A 676 24.489 -25.213 -5.196 1.00 0.00 H ATOM 1578 H TYR A 676 23.131 -26.260 -12.067 1.00 0.00 H ATOM 1579 N SER A 677 22.420 -24.180 -14.407 1.00 22.24 N ATOM 1580 CA SER A 677 22.556 -23.760 -15.808 1.00 22.86 C ATOM 1581 C SER A 677 22.390 -22.226 -15.965 1.00 26.15 C ATOM 1582 O SER A 677 22.997 -21.634 -16.862 1.00 26.75 O ATOM 1583 CB SER A 677 21.568 -24.509 -16.710 1.00 25.76 C ATOM 1584 OG SER A 677 20.249 -24.018 -16.530 1.00 34.20 O ATOM 1585 HG SER A 677 19.630 -24.515 -17.121 1.00 0.00 H ATOM 1586 H SER A 677 21.707 -24.894 -14.155 1.00 0.00 H ATOM 1587 N THR A 678 21.600 -21.593 -15.060 1.00 22.17 N ATOM 1588 CA THR A 678 21.335 -20.144 -15.055 1.00 21.40 C ATOM 1589 C THR A 678 22.613 -19.306 -14.759 1.00 21.15 C ATOM 1590 O THR A 678 22.631 -18.108 -15.030 1.00 19.33 O ATOM 1591 CB THR A 678 20.177 -19.800 -14.097 1.00 30.47 C ATOM 1592 OG1 THR A 678 19.742 -18.479 -14.391 1.00 43.02 O ATOM 1593 CG2 THR A 678 20.565 -19.861 -12.642 1.00 26.38 C ATOM 1594 HG1 THR A 678 20.494 -17.848 -14.260 1.00 0.00 H ATOM 1595 H THR A 678 21.152 -22.170 -14.320 1.00 0.00 H ATOM 1596 N ASP A 679 23.646 -19.944 -14.185 1.00 16.65 N ATOM 1597 CA ASP A 679 24.926 -19.276 -13.867 1.00 16.42 C ATOM 1598 C ASP A 679 25.854 -19.265 -15.070 1.00 18.86 C ATOM 1599 O ASP A 679 27.001 -18.833 -14.950 1.00 16.79 O ATOM 1600 CB ASP A 679 25.618 -19.998 -12.686 1.00 18.30 C ATOM 1601 CG ASP A 679 24.991 -19.709 -11.336 1.00 20.47 C ATOM 1602 OD1 ASP A 679 24.169 -18.771 -11.251 1.00 18.16 O ATOM 1603 OD2 ASP A 679 25.348 -20.395 -10.364 1.00 20.13 O ATOM 1604 H ASP A 679 23.541 -20.953 -13.954 1.00 0.00 H ATOM 1605 N TYR A 680 25.388 -19.776 -16.234 1.00 16.88 N ATOM 1606 CA TYR A 680 26.233 -19.812 -17.426 1.00 17.11 C ATOM 1607 C TYR A 680 25.549 -19.156 -18.606 1.00 22.34 C ATOM 1608 O TYR A 680 24.332 -19.220 -18.735 1.00 22.05 O ATOM 1609 CB TYR A 680 26.640 -21.248 -17.804 1.00 17.29 C ATOM 1610 CG TYR A 680 27.425 -21.944 -16.715 1.00 17.25 C ATOM 1611 CD1 TYR A 680 26.776 -22.540 -15.630 1.00 17.62 C ATOM 1612 CD2 TYR A 680 28.815 -21.954 -16.731 1.00 16.48 C ATOM 1613 CE1 TYR A 680 27.497 -23.159 -14.611 1.00 18.19 C ATOM 1614 CE2 TYR A 680 29.548 -22.588 -15.727 1.00 16.73 C ATOM 1615 CZ TYR A 680 28.883 -23.175 -14.660 1.00 19.68 C ATOM 1616 OH TYR A 680 29.596 -23.765 -13.640 1.00 17.74 O ATOM 1617 HH TYR A 680 30.181 -23.089 -13.214 1.00 0.00 H ATOM 1618 H TYR A 680 24.418 -20.147 -16.280 1.00 0.00 H ATOM 1619 N TYR A 681 26.353 -18.570 -19.484 1.00 21.70 N ATOM 1620 CA TYR A 681 25.867 -17.903 -20.684 1.00 23.37 C ATOM 1621 C TYR A 681 26.488 -18.558 -21.920 1.00 27.38 C ATOM 1622 O TYR A 681 27.705 -18.772 -21.974 1.00 23.59 O ATOM 1623 CB TYR A 681 26.225 -16.415 -20.608 1.00 26.61 C ATOM 1624 CG TYR A 681 25.969 -15.637 -21.881 1.00 31.32 C ATOM 1625 CD1 TYR A 681 24.680 -15.268 -22.247 1.00 34.21 C ATOM 1626 CD2 TYR A 681 27.017 -15.247 -22.704 1.00 33.75 C ATOM 1627 CE1 TYR A 681 24.438 -14.525 -23.404 1.00 36.91 C ATOM 1628 CE2 TYR A 681 26.787 -14.507 -23.868 1.00 35.62 C ATOM 1629 CZ TYR A 681 25.496 -14.145 -24.209 1.00 44.55 C ATOM 1630 OH TYR A 681 25.261 -13.429 -25.361 1.00 51.04 O ATOM 1631 HH TYR A 681 24.290 -13.257 -25.449 1.00 0.00 H ATOM 1632 H TYR A 681 27.378 -18.588 -19.307 1.00 0.00 H ATOM 1633 N ARG A 682 25.647 -18.857 -22.919 1.00 30.56 N ATOM 1634 CA ARG A 682 26.070 -19.484 -24.174 1.00 35.59 C ATOM 1635 C ARG A 682 26.597 -18.481 -25.200 1.00 45.89 C ATOM 1636 O ARG A 682 25.823 -17.702 -25.764 1.00 44.74 O ATOM 1637 CB ARG A 682 24.930 -20.343 -24.765 1.00 39.71 C ATOM 1638 CG ARG A 682 25.300 -21.116 -26.029 1.00 52.96 C ATOM 1639 CD ARG A 682 24.270 -22.176 -26.354 1.00 63.16 C ATOM 1640 NE ARG A 682 24.560 -23.432 -25.660 1.00 75.35 N ATOM 1641 CZ ARG A 682 23.690 -24.103 -24.910 1.00 88.90 C ATOM 1642 NH1 ARG A 682 22.454 -23.647 -24.743 1.00 74.73 N ATOM 1643 NH2 ARG A 682 24.052 -25.234 -24.316 1.00 74.00 N ATOM 1644 HE ARG A 682 25.516 -23.829 -25.761 1.00 0.00 H ATOM 1645 HH12 ARG A 682 21.779 -24.177 -24.155 1.00 0.00 H ATOM 1646 HH11 ARG A 682 22.161 -22.760 -25.200 1.00 0.00 H ATOM 1647 HH22 ARG A 682 23.369 -25.756 -23.730 1.00 0.00 H ATOM 1648 HH21 ARG A 682 25.019 -25.598 -24.436 1.00 0.00 H ATOM 1649 H ARG A 682 24.639 -18.632 -22.797 1.00 0.00 H ATOM 1650 N VAL A 683 27.925 -18.514 -25.450 1.00 47.99 N ATOM 1651 CA VAL A 683 28.579 -17.666 -26.454 1.00 50.12 C ATOM 1652 C VAL A 683 29.822 -18.426 -27.016 1.00 57.69 C ATOM 1653 O VAL A 683 30.908 -18.394 -26.429 1.00 57.91 O ATOM 1654 CB VAL A 683 28.830 -16.184 -26.030 1.00 54.59 C ATOM 1655 CG1 VAL A 683 29.915 -16.025 -24.959 1.00 54.40 C ATOM 1656 CG2 VAL A 683 29.079 -15.282 -27.241 1.00 54.63 C ATOM 1657 H VAL A 683 28.514 -19.174 -24.903 1.00 0.00 H ATOM 1658 N GLY A 684 29.635 -19.147 -28.126 1.00 55.69 N ATOM 1659 CA GLY A 684 28.377 -19.263 -28.857 1.00 84.19 C ATOM 1660 C GLY A 684 27.732 -20.627 -28.716 1.00119.10 C ATOM 1661 O GLY A 684 28.127 -21.430 -27.866 1.00 81.44 O ATOM 1662 H GLY A 684 30.454 -19.668 -28.500 1.00 0.00 H TER 1663 GLY A 684 ATOM 1664 N THR A 687 29.968 -22.833 -26.308 1.00 46.27 N ATOM 1665 CA THR A 687 30.582 -22.965 -24.986 1.00 44.35 C ATOM 1666 C THR A 687 29.802 -22.160 -23.925 1.00 42.97 C ATOM 1667 O THR A 687 29.400 -21.016 -24.173 1.00 41.51 O ATOM 1668 CB THR A 687 32.089 -22.646 -25.028 1.00 54.26 C ATOM 1669 OG1 THR A 687 32.290 -21.278 -25.369 1.00 55.87 O ATOM 1670 CG2 THR A 687 32.857 -23.543 -26.001 1.00 53.93 C ATOM 1671 HG1 THR A 687 31.854 -20.703 -24.691 1.00 0.00 H ATOM 1672 HN3 THR A 687 29.963 -21.831 -26.588 1.00 0.00 H ATOM 1673 HN2 THR A 687 28.991 -23.189 -26.272 1.00 0.00 H ATOM 1674 HN1 THR A 687 30.515 -23.385 -26.999 1.00 0.00 H ATOM 1675 N MET A 688 29.577 -22.787 -22.752 1.00 36.05 N ATOM 1676 CA MET A 688 28.863 -22.191 -21.622 1.00 34.15 C ATOM 1677 C MET A 688 29.884 -21.485 -20.754 1.00 29.60 C ATOM 1678 O MET A 688 30.814 -22.136 -20.282 1.00 27.49 O ATOM 1679 CB MET A 688 28.155 -23.260 -20.770 1.00 37.35 C ATOM 1680 CG MET A 688 27.051 -24.013 -21.468 1.00 42.60 C ATOM 1681 SD MET A 688 25.971 -22.969 -22.448 1.00 48.20 S ATOM 1682 CE MET A 688 25.059 -22.083 -21.145 1.00 43.96 C ATOM 1683 H MET A 688 29.934 -23.758 -22.644 1.00 0.00 H ATOM 1684 N LEU A 689 29.726 -20.168 -20.544 1.00 23.09 N ATOM 1685 CA LEU A 689 30.686 -19.425 -19.718 1.00 21.54 C ATOM 1686 C LEU A 689 30.038 -18.803 -18.489 1.00 18.96 C ATOM 1687 O LEU A 689 28.985 -18.157 -18.601 1.00 17.48 O ATOM 1688 CB LEU A 689 31.364 -18.289 -20.518 1.00 22.53 C ATOM 1689 CG LEU A 689 32.133 -18.671 -21.799 1.00 29.39 C ATOM 1690 CD1 LEU A 689 32.570 -17.419 -22.549 1.00 30.02 C ATOM 1691 CD2 LEU A 689 33.323 -19.570 -21.498 1.00 32.19 C ATOM 1692 H LEU A 689 28.918 -19.671 -20.970 1.00 0.00 H ATOM 1693 N PRO A 690 30.717 -18.921 -17.327 1.00 14.21 N ATOM 1694 CA PRO A 690 30.169 -18.341 -16.075 1.00 13.03 C ATOM 1695 C PRO A 690 30.480 -16.825 -16.032 1.00 14.94 C ATOM 1696 O PRO A 690 31.255 -16.346 -15.195 1.00 14.03 O ATOM 1697 CB PRO A 690 30.961 -19.110 -14.998 1.00 14.08 C ATOM 1698 CG PRO A 690 32.313 -19.325 -15.620 1.00 16.73 C ATOM 1699 CD PRO A 690 31.951 -19.692 -17.068 1.00 14.50 C ATOM 1700 N ILE A 691 29.905 -16.068 -16.972 1.00 13.53 N ATOM 1701 CA ILE A 691 30.162 -14.636 -17.161 1.00 13.84 C ATOM 1702 C ILE A 691 30.065 -13.793 -15.878 1.00 13.85 C ATOM 1703 O ILE A 691 30.872 -12.881 -15.717 1.00 13.35 O ATOM 1704 CB ILE A 691 29.242 -14.045 -18.296 1.00 18.69 C ATOM 1705 CG1 ILE A 691 27.753 -14.392 -18.006 1.00 20.81 C ATOM 1706 CG2 ILE A 691 29.681 -14.571 -19.701 1.00 18.25 C ATOM 1707 CD1 ILE A 691 26.713 -13.441 -18.543 1.00 35.78 C ATOM 1708 H ILE A 691 29.228 -16.527 -17.615 1.00 0.00 H ATOM 1709 N ARG A 692 29.105 -14.079 -14.968 1.00 10.78 N ATOM 1710 CA ARG A 692 28.981 -13.251 -13.752 1.00 10.98 C ATOM 1711 C ARG A 692 30.209 -13.337 -12.835 1.00 13.67 C ATOM 1712 O ARG A 692 30.415 -12.451 -12.005 1.00 14.27 O ATOM 1713 CB ARG A 692 27.677 -13.564 -12.995 1.00 10.31 C ATOM 1714 CG ARG A 692 26.410 -13.280 -13.838 1.00 14.79 C ATOM 1715 CD ARG A 692 25.184 -14.059 -13.361 1.00 17.28 C ATOM 1716 NE ARG A 692 24.087 -13.909 -14.328 1.00 16.40 N ATOM 1717 CZ ARG A 692 23.221 -12.906 -14.346 1.00 21.53 C ATOM 1718 NH1 ARG A 692 23.267 -11.959 -13.412 1.00 14.83 N ATOM 1719 NH2 ARG A 692 22.284 -12.851 -15.285 1.00 20.45 N ATOM 1720 HE ARG A 692 23.982 -14.647 -15.054 1.00 0.00 H ATOM 1721 HH12 ARG A 692 22.584 -11.175 -13.432 1.00 0.00 H ATOM 1722 HH11 ARG A 692 23.986 -12.003 -12.662 1.00 0.00 H ATOM 1723 HH22 ARG A 692 21.606 -12.063 -15.297 1.00 0.00 H ATOM 1724 HH21 ARG A 692 22.228 -13.596 -16.008 1.00 0.00 H ATOM 1725 H ARG A 692 28.458 -14.878 -15.124 1.00 0.00 H ATOM 1726 N TRP A 693 31.015 -14.386 -12.990 1.00 11.27 N ATOM 1727 CA TRP A 693 32.216 -14.611 -12.174 1.00 12.77 C ATOM 1728 C TRP A 693 33.497 -14.216 -12.907 1.00 15.38 C ATOM 1729 O TRP A 693 34.602 -14.347 -12.361 1.00 14.17 O ATOM 1730 CB TRP A 693 32.292 -16.105 -11.806 1.00 11.85 C ATOM 1731 CG TRP A 693 31.350 -16.467 -10.705 1.00 12.41 C ATOM 1732 CD1 TRP A 693 31.661 -16.536 -9.376 1.00 14.76 C ATOM 1733 CD2 TRP A 693 29.949 -16.740 -10.807 1.00 12.18 C ATOM 1734 NE1 TRP A 693 30.544 -16.849 -8.644 1.00 13.09 N ATOM 1735 CE2 TRP A 693 29.468 -16.948 -9.489 1.00 14.76 C ATOM 1736 CE3 TRP A 693 29.043 -16.832 -11.881 1.00 13.32 C ATOM 1737 CZ2 TRP A 693 28.122 -17.228 -9.211 1.00 13.88 C ATOM 1738 CZ3 TRP A 693 27.699 -17.062 -11.599 1.00 14.43 C ATOM 1739 CH2 TRP A 693 27.257 -17.296 -10.284 1.00 15.25 C ATOM 1740 HE1 TRP A 693 30.517 -16.989 -7.614 1.00 0.00 H ATOM 1741 H TRP A 693 30.782 -15.082 -13.727 1.00 0.00 H ATOM 1742 N MET A 694 33.350 -13.776 -14.163 1.00 11.49 N ATOM 1743 CA MET A 694 34.519 -13.513 -14.990 1.00 10.27 C ATOM 1744 C MET A 694 34.912 -12.047 -15.128 1.00 13.42 C ATOM 1745 O MET A 694 34.033 -11.202 -15.201 1.00 12.13 O ATOM 1746 CB MET A 694 34.264 -14.090 -16.404 1.00 11.90 C ATOM 1747 CG MET A 694 34.337 -15.627 -16.443 1.00 13.55 C ATOM 1748 SD MET A 694 33.443 -16.324 -17.870 1.00 16.24 S ATOM 1749 CE MET A 694 34.299 -15.520 -19.247 1.00 13.99 C ATOM 1750 H MET A 694 32.397 -13.621 -14.549 1.00 0.00 H ATOM 1751 N PRO A 695 36.224 -11.768 -15.303 1.00 11.44 N ATOM 1752 CA PRO A 695 36.650 -10.378 -15.495 1.00 10.68 C ATOM 1753 C PRO A 695 36.484 -9.987 -16.974 1.00 13.11 C ATOM 1754 O PRO A 695 36.240 -10.844 -17.848 1.00 14.23 O ATOM 1755 CB PRO A 695 38.143 -10.418 -15.134 1.00 12.35 C ATOM 1756 CG PRO A 695 38.567 -11.817 -15.551 1.00 14.86 C ATOM 1757 CD PRO A 695 37.383 -12.687 -15.210 1.00 11.92 C ATOM 1758 N PRO A 696 36.644 -8.689 -17.281 1.00 11.09 N ATOM 1759 CA PRO A 696 36.455 -8.245 -18.670 1.00 11.78 C ATOM 1760 C PRO A 696 37.279 -8.991 -19.726 1.00 14.26 C ATOM 1761 O PRO A 696 36.756 -9.259 -20.810 1.00 15.87 O ATOM 1762 CB PRO A 696 36.837 -6.763 -18.612 1.00 13.11 C ATOM 1763 CG PRO A 696 36.430 -6.351 -17.178 1.00 16.25 C ATOM 1764 CD PRO A 696 36.900 -7.546 -16.372 1.00 12.27 C ATOM 1765 N GLU A 697 38.555 -9.302 -19.435 1.00 12.46 N ATOM 1766 CA GLU A 697 39.434 -9.954 -20.436 1.00 12.09 C ATOM 1767 C GLU A 697 39.019 -11.382 -20.741 1.00 14.90 C ATOM 1768 O GLU A 697 39.301 -11.877 -21.840 1.00 13.57 O ATOM 1769 CB GLU A 697 40.934 -9.852 -20.071 1.00 12.83 C ATOM 1770 CG GLU A 697 41.412 -10.756 -18.936 1.00 13.82 C ATOM 1771 CD GLU A 697 41.123 -10.314 -17.508 1.00 15.63 C ATOM 1772 OE1 GLU A 697 40.484 -9.257 -17.324 1.00 13.73 O ATOM 1773 OE2 GLU A 697 41.540 -11.030 -16.567 1.00 13.67 O ATOM 1774 H GLU A 697 38.932 -9.081 -18.491 1.00 0.00 H ATOM 1775 N SER A 698 38.354 -12.047 -19.775 1.00 12.60 N ATOM 1776 CA SER A 698 37.864 -13.413 -19.960 1.00 11.29 C ATOM 1777 C SER A 698 36.563 -13.373 -20.749 1.00 13.57 C ATOM 1778 O SER A 698 36.329 -14.215 -21.622 1.00 13.96 O ATOM 1779 CB SER A 698 37.669 -14.110 -18.611 1.00 11.65 C ATOM 1780 OG SER A 698 38.879 -14.107 -17.873 1.00 14.35 O ATOM 1781 HG SER A 698 39.578 -14.586 -18.385 1.00 0.00 H ATOM 1782 H SER A 698 38.183 -11.572 -18.866 1.00 0.00 H ATOM 1783 N ILE A 699 35.685 -12.400 -20.460 1.00 10.83 N ATOM 1784 CA ILE A 699 34.420 -12.268 -21.216 1.00 11.88 C ATOM 1785 C ILE A 699 34.712 -11.877 -22.681 1.00 16.25 C ATOM 1786 O ILE A 699 34.131 -12.444 -23.608 1.00 14.11 O ATOM 1787 CB ILE A 699 33.490 -11.205 -20.548 1.00 14.99 C ATOM 1788 CG1 ILE A 699 32.983 -11.734 -19.178 1.00 15.61 C ATOM 1789 CG2 ILE A 699 32.296 -10.860 -21.467 1.00 15.44 C ATOM 1790 CD1 ILE A 699 32.225 -10.676 -18.348 1.00 20.05 C ATOM 1791 H ILE A 699 35.897 -11.729 -19.694 1.00 0.00 H ATOM 1792 N LEU A 700 35.601 -10.903 -22.865 1.00 14.14 N ATOM 1793 CA LEU A 700 35.891 -10.380 -24.190 1.00 14.45 C ATOM 1794 C LEU A 700 36.758 -11.257 -25.058 1.00 16.99 C ATOM 1795 O LEU A 700 36.487 -11.345 -26.255 1.00 17.83 O ATOM 1796 CB LEU A 700 36.533 -8.981 -24.076 1.00 14.53 C ATOM 1797 CG LEU A 700 35.647 -7.845 -23.477 1.00 21.84 C ATOM 1798 CD1 LEU A 700 36.458 -6.577 -23.316 1.00 22.96 C ATOM 1799 CD2 LEU A 700 34.435 -7.563 -24.317 1.00 28.32 C ATOM 1800 H LEU A 700 36.099 -10.507 -22.042 1.00 0.00 H ATOM 1801 N TYR A 701 37.835 -11.852 -24.490 1.00 13.16 N ATOM 1802 CA TYR A 701 38.810 -12.608 -25.290 1.00 12.99 C ATOM 1803 C TYR A 701 39.083 -14.026 -24.803 1.00 15.71 C ATOM 1804 O TYR A 701 40.018 -14.649 -25.293 1.00 15.35 O ATOM 1805 CB TYR A 701 40.141 -11.828 -25.305 1.00 16.00 C ATOM 1806 CG TYR A 701 39.997 -10.418 -25.850 1.00 18.17 C ATOM 1807 CD1 TYR A 701 40.170 -9.312 -25.024 1.00 20.16 C ATOM 1808 CD2 TYR A 701 39.643 -10.196 -27.178 1.00 19.90 C ATOM 1809 CE1 TYR A 701 40.026 -8.015 -25.513 1.00 22.83 C ATOM 1810 CE2 TYR A 701 39.488 -8.901 -27.680 1.00 21.66 C ATOM 1811 CZ TYR A 701 39.685 -7.814 -26.840 1.00 31.54 C ATOM 1812 OH TYR A 701 39.537 -6.535 -27.309 1.00 33.00 O ATOM 1813 HH TYR A 701 39.715 -5.893 -26.576 1.00 0.00 H ATOM 1814 H TYR A 701 37.975 -11.772 -23.463 1.00 0.00 H ATOM 1815 N ARG A 702 38.320 -14.527 -23.831 1.00 12.71 N ATOM 1816 CA ARG A 702 38.538 -15.869 -23.267 1.00 12.71 C ATOM 1817 C ARG A 702 39.955 -16.014 -22.743 1.00 16.92 C ATOM 1818 O ARG A 702 40.575 -17.057 -22.872 1.00 17.18 O ATOM 1819 CB ARG A 702 38.126 -16.995 -24.245 1.00 16.92 C ATOM 1820 CG ARG A 702 36.628 -17.199 -24.295 1.00 27.68 C ATOM 1821 CD ARG A 702 36.279 -18.286 -25.292 1.00 34.01 C ATOM 1822 NE ARG A 702 36.948 -19.538 -24.959 1.00 43.75 N ATOM 1823 CZ ARG A 702 36.852 -20.648 -25.679 1.00 56.73 C ATOM 1824 NH1 ARG A 702 36.115 -20.668 -26.789 1.00 29.29 N ATOM 1825 NH2 ARG A 702 37.499 -21.747 -25.303 1.00 38.02 N ATOM 1826 HE ARG A 702 37.538 -19.562 -24.103 1.00 0.00 H ATOM 1827 HH12 ARG A 702 36.043 -21.541 -27.350 1.00 0.00 H ATOM 1828 HH11 ARG A 702 35.612 -19.811 -27.095 1.00 0.00 H ATOM 1829 HH22 ARG A 702 37.422 -22.616 -25.870 1.00 0.00 H ATOM 1830 HH21 ARG A 702 38.082 -21.738 -24.442 1.00 0.00 H ATOM 1831 H ARG A 702 37.541 -13.948 -23.457 1.00 0.00 H ATOM 1832 N LYS A 703 40.468 -14.955 -22.103 1.00 13.65 N ATOM 1833 CA LYS A 703 41.808 -14.979 -21.548 1.00 13.72 C ATOM 1834 C LYS A 703 41.666 -15.433 -20.093 1.00 17.75 C ATOM 1835 O LYS A 703 41.193 -14.667 -19.249 1.00 17.29 O ATOM 1836 CB LYS A 703 42.475 -13.603 -21.665 1.00 16.31 C ATOM 1837 CG LYS A 703 43.861 -13.495 -20.995 1.00 24.80 C ATOM 1838 CD LYS A 703 44.972 -14.156 -21.807 1.00 31.59 C ATOM 1839 CE LYS A 703 46.357 -13.896 -21.252 1.00 35.70 C ATOM 1840 NZ LYS A 703 46.678 -12.439 -21.226 1.00 40.59 N ATOM 1841 HZ1 LYS A 703 46.636 -12.059 -22.193 1.00 0.00 H ATOM 1842 HZ2 LYS A 703 45.987 -11.944 -20.627 1.00 0.00 H ATOM 1843 HZ3 LYS A 703 47.634 -12.303 -20.840 1.00 0.00 H ATOM 1844 H LYS A 703 39.892 -14.095 -22.002 1.00 0.00 H ATOM 1845 N PHE A 704 42.044 -16.707 -19.820 1.00 14.55 N ATOM 1846 CA PHE A 704 41.898 -17.319 -18.492 1.00 13.70 C ATOM 1847 C PHE A 704 43.253 -17.530 -17.897 1.00 18.12 C ATOM 1848 O PHE A 704 44.100 -18.167 -18.523 1.00 16.85 O ATOM 1849 CB PHE A 704 41.139 -18.662 -18.602 1.00 14.68 C ATOM 1850 CG PHE A 704 39.658 -18.526 -18.852 1.00 15.33 C ATOM 1851 CD1 PHE A 704 38.768 -18.341 -17.789 1.00 16.49 C ATOM 1852 CD2 PHE A 704 39.147 -18.555 -20.153 1.00 16.30 C ATOM 1853 CE1 PHE A 704 37.387 -18.220 -18.018 1.00 16.03 C ATOM 1854 CE2 PHE A 704 37.764 -18.443 -20.383 1.00 17.77 C ATOM 1855 CZ PHE A 704 36.896 -18.266 -19.315 1.00 15.73 C ATOM 1856 H PHE A 704 42.456 -17.277 -20.586 1.00 0.00 H ATOM 1857 N THR A 705 43.488 -16.952 -16.709 1.00 13.67 N ATOM 1858 CA THR A 705 44.787 -17.001 -16.017 1.00 13.48 C ATOM 1859 C THR A 705 44.563 -17.071 -14.496 1.00 14.89 C ATOM 1860 O THR A 705 43.427 -16.999 -14.017 1.00 13.35 O ATOM 1861 CB THR A 705 45.532 -15.622 -16.257 1.00 16.67 C ATOM 1862 OG1 THR A 705 44.713 -14.551 -15.723 1.00 14.27 O ATOM 1863 CG2 THR A 705 45.843 -15.334 -17.735 1.00 17.03 C ATOM 1864 HG1 THR A 705 43.837 -14.545 -16.185 1.00 0.00 H ATOM 1865 H THR A 705 42.708 -16.440 -16.250 1.00 0.00 H ATOM 1866 N THR A 706 45.659 -17.148 -13.734 1.00 12.73 N ATOM 1867 CA THR A 706 45.536 -17.106 -12.268 1.00 12.94 C ATOM 1868 C THR A 706 44.903 -15.743 -11.845 1.00 14.66 C ATOM 1869 O THR A 706 44.283 -15.659 -10.788 1.00 13.01 O ATOM 1870 CB THR A 706 46.917 -17.341 -11.597 1.00 25.20 C ATOM 1871 OG1 THR A 706 47.847 -16.386 -12.070 1.00 26.66 O ATOM 1872 CG2 THR A 706 47.482 -18.724 -11.888 1.00 19.50 C ATOM 1873 HG1 THR A 706 47.525 -15.476 -11.849 1.00 0.00 H ATOM 1874 H THR A 706 46.596 -17.237 -14.176 1.00 0.00 H ATOM 1875 N GLU A 707 45.075 -14.680 -12.675 1.00 12.49 N ATOM 1876 CA GLU A 707 44.502 -13.344 -12.390 1.00 11.20 C ATOM 1877 C GLU A 707 42.990 -13.308 -12.650 1.00 12.89 C ATOM 1878 O GLU A 707 42.287 -12.554 -11.961 1.00 13.06 O ATOM 1879 CB GLU A 707 45.243 -12.241 -13.176 1.00 12.57 C ATOM 1880 CG GLU A 707 46.681 -12.067 -12.687 1.00 16.29 C ATOM 1881 CD GLU A 707 47.662 -13.175 -13.047 1.00 26.80 C ATOM 1882 OE1 GLU A 707 47.554 -13.717 -14.167 1.00 21.75 O ATOM 1883 OE2 GLU A 707 48.510 -13.528 -12.199 1.00 27.83 O ATOM 1884 H GLU A 707 45.631 -14.810 -13.544 1.00 0.00 H ATOM 1885 N SER A 708 42.469 -14.112 -13.625 1.00 10.04 N ATOM 1886 CA SER A 708 41.010 -14.180 -13.798 1.00 11.31 C ATOM 1887 C SER A 708 40.459 -15.042 -12.646 1.00 12.81 C ATOM 1888 O SER A 708 39.343 -14.819 -12.173 1.00 11.12 O ATOM 1889 CB SER A 708 40.603 -14.737 -15.163 1.00 14.80 C ATOM 1890 OG SER A 708 41.196 -15.983 -15.491 1.00 16.68 O ATOM 1891 HG SER A 708 40.937 -16.658 -14.815 1.00 0.00 H ATOM 1892 H SER A 708 43.098 -14.670 -14.238 1.00 0.00 H ATOM 1893 N ASP A 709 41.275 -16.003 -12.128 1.00 11.47 N ATOM 1894 CA ASP A 709 40.776 -16.788 -10.993 1.00 11.32 C ATOM 1895 C ASP A 709 40.710 -15.909 -9.748 1.00 13.05 C ATOM 1896 O ASP A 709 39.794 -16.076 -8.942 1.00 13.15 O ATOM 1897 CB ASP A 709 41.686 -17.989 -10.714 1.00 12.99 C ATOM 1898 CG ASP A 709 41.383 -19.266 -11.497 1.00 14.98 C ATOM 1899 OD1 ASP A 709 40.336 -19.311 -12.225 1.00 13.56 O ATOM 1900 OD2 ASP A 709 42.177 -20.214 -11.386 1.00 18.04 O ATOM 1901 H ASP A 709 42.221 -16.174 -12.524 1.00 0.00 H ATOM 1902 N VAL A 710 41.668 -14.973 -9.567 1.00 10.86 N ATOM 1903 CA VAL A 710 41.595 -14.121 -8.343 1.00 11.18 C ATOM 1904 C VAL A 710 40.340 -13.215 -8.433 1.00 11.91 C ATOM 1905 O VAL A 710 39.688 -12.950 -7.422 1.00 9.99 O ATOM 1906 CB VAL A 710 42.907 -13.372 -8.007 1.00 17.82 C ATOM 1907 CG1 VAL A 710 43.024 -12.066 -8.778 1.00 17.96 C ATOM 1908 CG2 VAL A 710 43.024 -13.120 -6.494 1.00 19.55 C ATOM 1909 H VAL A 710 42.434 -14.850 -10.260 1.00 0.00 H ATOM 1910 N TRP A 711 40.002 -12.762 -9.648 1.00 10.71 N ATOM 1911 CA TRP A 711 38.797 -11.948 -9.871 1.00 11.36 C ATOM 1912 C TRP A 711 37.572 -12.770 -9.424 1.00 13.13 C ATOM 1913 O TRP A 711 36.724 -12.261 -8.673 1.00 10.10 O ATOM 1914 CB TRP A 711 38.664 -11.591 -11.364 1.00 10.62 C ATOM 1915 CG TRP A 711 37.394 -10.844 -11.673 1.00 11.50 C ATOM 1916 CD1 TRP A 711 36.121 -11.357 -11.747 1.00 13.93 C ATOM 1917 CD2 TRP A 711 37.285 -9.446 -11.952 1.00 11.27 C ATOM 1918 NE1 TRP A 711 35.230 -10.356 -12.040 1.00 12.72 N ATOM 1919 CE2 TRP A 711 35.919 -9.174 -12.194 1.00 13.92 C ATOM 1920 CE3 TRP A 711 38.230 -8.400 -12.077 1.00 12.70 C ATOM 1921 CZ2 TRP A 711 35.459 -7.899 -12.535 1.00 14.48 C ATOM 1922 CZ3 TRP A 711 37.773 -7.129 -12.445 1.00 14.50 C ATOM 1923 CH2 TRP A 711 36.411 -6.890 -12.668 1.00 14.77 C ATOM 1924 HE1 TRP A 711 34.200 -10.471 -12.131 1.00 0.00 H ATOM 1925 H TRP A 711 40.611 -12.993 -10.459 1.00 0.00 H ATOM 1926 N SER A 712 37.504 -14.043 -9.875 1.00 10.99 N ATOM 1927 CA SER A 712 36.432 -14.988 -9.511 1.00 11.06 C ATOM 1928 C SER A 712 36.397 -15.192 -7.991 1.00 12.67 C ATOM 1929 O SER A 712 35.300 -15.288 -7.430 1.00 11.75 O ATOM 1930 CB SER A 712 36.637 -16.329 -10.206 1.00 13.30 C ATOM 1931 OG SER A 712 36.452 -16.178 -11.602 1.00 13.55 O ATOM 1932 HG SER A 712 35.533 -15.854 -11.779 1.00 0.00 H ATOM 1933 H SER A 712 38.252 -14.375 -10.517 1.00 0.00 H ATOM 1934 N PHE A 713 37.577 -15.213 -7.334 1.00 10.62 N ATOM 1935 CA PHE A 713 37.618 -15.351 -5.873 1.00 10.75 C ATOM 1936 C PHE A 713 36.931 -14.116 -5.207 1.00 13.67 C ATOM 1937 O PHE A 713 36.200 -14.270 -4.219 1.00 12.36 O ATOM 1938 CB PHE A 713 39.054 -15.536 -5.360 1.00 11.73 C ATOM 1939 CG PHE A 713 38.990 -15.687 -3.856 1.00 12.15 C ATOM 1940 CD1 PHE A 713 38.551 -16.877 -3.281 1.00 15.59 C ATOM 1941 CD2 PHE A 713 39.249 -14.605 -3.022 1.00 12.34 C ATOM 1942 CE1 PHE A 713 38.422 -17.002 -1.889 1.00 15.50 C ATOM 1943 CE2 PHE A 713 39.083 -14.724 -1.620 1.00 16.61 C ATOM 1944 CZ PHE A 713 38.673 -15.920 -1.073 1.00 16.10 C ATOM 1945 H PHE A 713 38.465 -15.131 -7.868 1.00 0.00 H ATOM 1946 N GLY A 714 37.139 -12.916 -5.766 1.00 12.07 N ATOM 1947 CA GLY A 714 36.495 -11.710 -5.228 1.00 11.92 C ATOM 1948 C GLY A 714 34.987 -11.873 -5.330 1.00 12.31 C ATOM 1949 O GLY A 714 34.232 -11.513 -4.416 1.00 12.48 O ATOM 1950 H GLY A 714 37.765 -12.837 -6.593 1.00 0.00 H ATOM 1951 N VAL A 715 34.536 -12.458 -6.446 1.00 10.03 N ATOM 1952 CA VAL A 715 33.097 -12.724 -6.643 1.00 9.83 C ATOM 1953 C VAL A 715 32.608 -13.766 -5.626 1.00 12.67 C ATOM 1954 O VAL A 715 31.515 -13.624 -5.084 1.00 12.40 O ATOM 1955 CB VAL A 715 32.723 -13.085 -8.106 1.00 12.63 C ATOM 1956 CG1 VAL A 715 31.202 -13.238 -8.212 1.00 12.48 C ATOM 1957 CG2 VAL A 715 33.214 -11.988 -9.081 1.00 13.22 C ATOM 1958 H VAL A 715 35.212 -12.730 -7.188 1.00 0.00 H ATOM 1959 N VAL A 716 33.418 -14.808 -5.370 1.00 10.17 N ATOM 1960 CA VAL A 716 33.086 -15.837 -4.358 1.00 10.01 C ATOM 1961 C VAL A 716 32.957 -15.157 -2.985 1.00 13.52 C ATOM 1962 O VAL A 716 32.045 -15.464 -2.218 1.00 12.22 O ATOM 1963 CB VAL A 716 34.132 -16.990 -4.347 1.00 13.55 C ATOM 1964 CG1 VAL A 716 34.063 -17.832 -3.055 1.00 13.08 C ATOM 1965 CG2 VAL A 716 33.956 -17.889 -5.565 1.00 13.80 C ATOM 1966 H VAL A 716 34.308 -14.894 -5.901 1.00 0.00 H ATOM 1967 N LEU A 717 33.862 -14.218 -2.670 1.00 12.06 N ATOM 1968 CA LEU A 717 33.766 -13.483 -1.392 1.00 12.03 C ATOM 1969 C LEU A 717 32.415 -12.749 -1.332 1.00 14.09 C ATOM 1970 O LEU A 717 31.747 -12.735 -0.284 1.00 12.86 O ATOM 1971 CB LEU A 717 34.886 -12.432 -1.331 1.00 12.69 C ATOM 1972 CG LEU A 717 36.195 -12.812 -0.707 1.00 20.70 C ATOM 1973 CD1 LEU A 717 37.070 -11.564 -0.569 1.00 21.07 C ATOM 1974 CD2 LEU A 717 35.973 -13.397 0.713 1.00 22.72 C ATOM 1975 H LEU A 717 34.637 -14.006 -3.330 1.00 0.00 H ATOM 1976 N TRP A 718 31.993 -12.159 -2.471 1.00 11.64 N ATOM 1977 CA TRP A 718 30.701 -11.475 -2.527 1.00 10.52 C ATOM 1978 C TRP A 718 29.550 -12.481 -2.317 1.00 13.25 C ATOM 1979 O TRP A 718 28.607 -12.178 -1.586 1.00 12.72 O ATOM 1980 CB TRP A 718 30.540 -10.719 -3.845 1.00 10.19 C ATOM 1981 CG TRP A 718 29.330 -9.833 -3.925 1.00 11.18 C ATOM 1982 CD1 TRP A 718 29.267 -8.502 -3.615 1.00 14.13 C ATOM 1983 CD2 TRP A 718 28.019 -10.206 -4.372 1.00 11.70 C ATOM 1984 NE1 TRP A 718 27.998 -8.019 -3.856 1.00 13.23 N ATOM 1985 CE2 TRP A 718 27.214 -9.042 -4.329 1.00 14.67 C ATOM 1986 CE3 TRP A 718 27.448 -11.412 -4.830 1.00 12.42 C ATOM 1987 CZ2 TRP A 718 25.871 -9.043 -4.738 1.00 14.36 C ATOM 1988 CZ3 TRP A 718 26.109 -11.424 -5.202 1.00 14.21 C ATOM 1989 CH2 TRP A 718 25.334 -10.259 -5.155 1.00 14.98 C ATOM 1990 HE1 TRP A 718 27.686 -7.039 -3.704 1.00 0.00 H ATOM 1991 H TRP A 718 32.594 -12.191 -3.319 1.00 0.00 H ATOM 1992 N GLU A 719 29.634 -13.678 -2.931 1.00 11.81 N ATOM 1993 CA GLU A 719 28.576 -14.698 -2.740 1.00 10.33 C ATOM 1994 C GLU A 719 28.543 -15.112 -1.267 1.00 12.82 C ATOM 1995 O GLU A 719 27.476 -15.261 -0.683 1.00 12.06 O ATOM 1996 CB GLU A 719 28.902 -15.967 -3.540 1.00 10.84 C ATOM 1997 CG GLU A 719 28.826 -15.889 -5.055 1.00 13.54 C ATOM 1998 CD GLU A 719 29.105 -17.282 -5.608 1.00 15.22 C ATOM 1999 OE1 GLU A 719 30.276 -17.582 -5.934 1.00 12.22 O ATOM 2000 OE2 GLU A 719 28.158 -18.100 -5.638 1.00 16.32 O ATOM 2001 H GLU A 719 30.448 -13.887 -3.544 1.00 0.00 H ATOM 2002 N ILE A 720 29.721 -15.286 -0.663 1.00 10.74 N ATOM 2003 CA ILE A 720 29.764 -15.696 0.746 1.00 10.55 C ATOM 2004 C ILE A 720 29.059 -14.660 1.632 1.00 15.19 C ATOM 2005 O ILE A 720 28.210 -15.020 2.468 1.00 15.13 O ATOM 2006 CB ILE A 720 31.228 -15.965 1.224 1.00 11.60 C ATOM 2007 CG1 ILE A 720 31.811 -17.259 0.582 1.00 11.32 C ATOM 2008 CG2 ILE A 720 31.287 -16.062 2.770 1.00 11.09 C ATOM 2009 CD1 ILE A 720 33.370 -17.335 0.665 1.00 13.08 C ATOM 2010 H ILE A 720 30.605 -15.132 -1.189 1.00 0.00 H ATOM 2011 N PHE A 721 29.406 -13.374 1.445 1.00 10.87 N ATOM 2012 CA PHE A 721 28.854 -12.329 2.304 1.00 11.41 C ATOM 2013 C PHE A 721 27.422 -11.913 1.973 1.00 14.80 C ATOM 2014 O PHE A 721 26.840 -11.184 2.767 1.00 16.88 O ATOM 2015 CB PHE A 721 29.810 -11.138 2.409 1.00 12.58 C ATOM 2016 CG PHE A 721 30.906 -11.512 3.394 1.00 12.47 C ATOM 2017 CD1 PHE A 721 30.784 -11.201 4.747 1.00 15.50 C ATOM 2018 CD2 PHE A 721 32.029 -12.228 2.978 1.00 13.60 C ATOM 2019 CE1 PHE A 721 31.786 -11.562 5.665 1.00 15.63 C ATOM 2020 CE2 PHE A 721 33.030 -12.606 3.902 1.00 15.48 C ATOM 2021 CZ PHE A 721 32.898 -12.261 5.240 1.00 13.49 C ATOM 2022 H PHE A 721 30.070 -13.122 0.685 1.00 0.00 H ATOM 2023 N THR A 722 26.826 -12.437 0.886 1.00 10.79 N ATOM 2024 CA THR A 722 25.404 -12.202 0.567 1.00 12.10 C ATOM 2025 C THR A 722 24.616 -13.493 0.877 1.00 15.09 C ATOM 2026 O THR A 722 23.447 -13.578 0.522 1.00 15.52 O ATOM 2027 CB THR A 722 25.174 -11.870 -0.926 1.00 14.41 C ATOM 2028 OG1 THR A 722 25.633 -12.939 -1.770 1.00 13.68 O ATOM 2029 CG2 THR A 722 25.779 -10.539 -1.333 1.00 16.24 C ATOM 2030 HG1 THR A 722 26.601 -13.082 -1.622 1.00 0.00 H ATOM 2031 H THR A 722 27.390 -13.031 0.245 1.00 0.00 H ATOM 2032 N TYR A 723 25.275 -14.496 1.492 1.00 12.33 N ATOM 2033 CA TYR A 723 24.676 -15.798 1.800 1.00 13.66 C ATOM 2034 C TYR A 723 24.177 -16.512 0.518 1.00 17.67 C ATOM 2035 O TYR A 723 23.075 -17.061 0.481 1.00 16.23 O ATOM 2036 CB TYR A 723 23.556 -15.670 2.861 1.00 14.62 C ATOM 2037 CG TYR A 723 24.064 -15.147 4.180 1.00 14.49 C ATOM 2038 CD1 TYR A 723 24.610 -16.009 5.131 1.00 15.71 C ATOM 2039 CD2 TYR A 723 23.991 -13.792 4.488 1.00 15.79 C ATOM 2040 CE1 TYR A 723 25.067 -15.533 6.356 1.00 17.45 C ATOM 2041 CE2 TYR A 723 24.453 -13.303 5.709 1.00 16.28 C ATOM 2042 CZ TYR A 723 24.987 -14.178 6.639 1.00 19.20 C ATOM 2043 OH TYR A 723 25.413 -13.704 7.853 1.00 18.55 O ATOM 2044 HH TYR A 723 25.764 -14.455 8.394 1.00 0.00 H ATOM 2045 H TYR A 723 26.266 -14.336 1.764 1.00 0.00 H ATOM 2046 N GLY A 724 24.998 -16.461 -0.525 1.00 14.88 N ATOM 2047 CA GLY A 724 24.761 -17.171 -1.776 1.00 14.09 C ATOM 2048 C GLY A 724 23.977 -16.513 -2.881 1.00 17.14 C ATOM 2049 O GLY A 724 23.589 -17.209 -3.827 1.00 17.96 O ATOM 2050 H GLY A 724 25.858 -15.882 -0.445 1.00 0.00 H ATOM 2051 N LYS A 725 23.773 -15.183 -2.834 1.00 13.22 N ATOM 2052 CA LYS A 725 23.036 -14.542 -3.921 1.00 13.82 C ATOM 2053 C LYS A 725 23.812 -14.651 -5.231 1.00 14.67 C ATOM 2054 O LYS A 725 25.048 -14.730 -5.227 1.00 16.36 O ATOM 2055 CB LYS A 725 22.799 -13.040 -3.645 1.00 15.83 C ATOM 2056 CG LYS A 725 21.792 -12.723 -2.540 1.00 22.73 C ATOM 2057 CD LYS A 725 21.547 -11.207 -2.529 1.00 26.68 C ATOM 2058 CE LYS A 725 20.638 -10.787 -1.398 1.00 40.18 C ATOM 2059 NZ LYS A 725 20.417 -9.319 -1.395 1.00 42.70 N ATOM 2060 HZ1 LYS A 725 21.329 -8.833 -1.283 1.00 0.00 H ATOM 2061 HZ2 LYS A 725 19.979 -9.034 -2.294 1.00 0.00 H ATOM 2062 HZ3 LYS A 725 19.789 -9.066 -0.606 1.00 0.00 H ATOM 2063 H LYS A 725 24.134 -14.621 -2.037 1.00 0.00 H ATOM 2064 N GLN A 726 23.090 -14.678 -6.358 1.00 12.61 N ATOM 2065 CA GLN A 726 23.759 -14.723 -7.662 1.00 13.29 C ATOM 2066 C GLN A 726 24.341 -13.298 -7.942 1.00 16.99 C ATOM 2067 O GLN A 726 23.624 -12.312 -7.822 1.00 15.20 O ATOM 2068 CB GLN A 726 22.770 -15.086 -8.797 1.00 14.38 C ATOM 2069 CG GLN A 726 23.485 -15.264 -10.160 1.00 17.22 C ATOM 2070 CD GLN A 726 22.540 -15.300 -11.324 1.00 23.80 C ATOM 2071 OE1 GLN A 726 21.689 -14.408 -11.495 1.00 23.86 O ATOM 2072 NE2 GLN A 726 22.710 -16.323 -12.171 1.00 19.87 N ATOM 2073 HE22 GLN A 726 23.437 -17.041 -11.979 1.00 0.00 H ATOM 2074 HE21 GLN A 726 22.115 -16.399 -13.021 1.00 0.00 H ATOM 2075 H GLN A 726 22.051 -14.667 -6.308 1.00 0.00 H ATOM 2076 N PRO A 727 25.617 -13.179 -8.353 1.00 14.97 N ATOM 2077 CA PRO A 727 26.169 -11.834 -8.662 1.00 13.42 C ATOM 2078 C PRO A 727 25.369 -11.232 -9.796 1.00 16.43 C ATOM 2079 O PRO A 727 25.016 -11.962 -10.734 1.00 15.02 O ATOM 2080 CB PRO A 727 27.619 -12.103 -9.105 1.00 14.98 C ATOM 2081 CG PRO A 727 27.899 -13.512 -8.742 1.00 20.98 C ATOM 2082 CD PRO A 727 26.606 -14.250 -8.553 1.00 17.31 C ATOM 2083 N TRP A 728 25.040 -9.928 -9.695 1.00 15.75 N ATOM 2084 CA TRP A 728 24.281 -9.208 -10.736 1.00 16.35 C ATOM 2085 C TRP A 728 22.871 -9.792 -10.904 1.00 18.76 C ATOM 2086 O TRP A 728 22.305 -9.707 -11.988 1.00 17.02 O ATOM 2087 CB TRP A 728 25.052 -9.199 -12.094 1.00 16.25 C ATOM 2088 CG TRP A 728 26.413 -8.590 -11.961 1.00 16.93 C ATOM 2089 CD1 TRP A 728 27.611 -9.226 -12.064 1.00 19.64 C ATOM 2090 CD2 TRP A 728 26.705 -7.230 -11.639 1.00 17.39 C ATOM 2091 NE1 TRP A 728 28.639 -8.330 -11.857 1.00 19.06 N ATOM 2092 CE2 TRP A 728 28.111 -7.103 -11.585 1.00 20.45 C ATOM 2093 CE3 TRP A 728 25.909 -6.098 -11.371 1.00 19.06 C ATOM 2094 CZ2 TRP A 728 28.745 -5.885 -11.286 1.00 20.52 C ATOM 2095 CZ3 TRP A 728 26.543 -4.895 -11.074 1.00 20.58 C ATOM 2096 CH2 TRP A 728 27.942 -4.805 -11.025 1.00 20.78 C ATOM 2097 HE1 TRP A 728 29.654 -8.554 -11.901 1.00 0.00 H ATOM 2098 H TRP A 728 25.335 -9.406 -8.845 1.00 0.00 H ATOM 2099 N TYR A 729 22.300 -10.361 -9.826 1.00 17.16 N ATOM 2100 CA TYR A 729 20.975 -11.005 -9.882 1.00 17.74 C ATOM 2101 C TYR A 729 19.875 -10.132 -10.504 1.00 24.07 C ATOM 2102 O TYR A 729 18.970 -10.675 -11.131 1.00 23.62 O ATOM 2103 CB TYR A 729 20.542 -11.520 -8.511 1.00 19.22 C ATOM 2104 CG TYR A 729 20.454 -10.460 -7.434 1.00 21.36 C ATOM 2105 CD1 TYR A 729 19.240 -9.847 -7.128 1.00 24.28 C ATOM 2106 CD2 TYR A 729 21.573 -10.114 -6.673 1.00 20.45 C ATOM 2107 CE1 TYR A 729 19.150 -8.893 -6.117 1.00 26.93 C ATOM 2108 CE2 TYR A 729 21.494 -9.159 -5.662 1.00 21.29 C ATOM 2109 CZ TYR A 729 20.277 -8.562 -5.378 1.00 30.80 C ATOM 2110 OH TYR A 729 20.197 -7.622 -4.381 1.00 31.02 O ATOM 2111 HH TYR A 729 19.264 -7.298 -4.308 1.00 0.00 H ATOM 2112 H TYR A 729 22.812 -10.346 -8.921 1.00 0.00 H ATOM 2113 N GLN A 730 19.982 -8.798 -10.367 1.00 22.10 N ATOM 2114 CA GLN A 730 18.997 -7.845 -10.917 1.00 23.29 C ATOM 2115 C GLN A 730 19.042 -7.762 -12.443 1.00 26.22 C ATOM 2116 O GLN A 730 18.113 -7.220 -13.059 1.00 25.50 O ATOM 2117 CB GLN A 730 19.250 -6.415 -10.360 1.00 24.81 C ATOM 2118 CG GLN A 730 19.380 -6.328 -8.826 1.00 35.31 C ATOM 2119 CD GLN A 730 20.825 -6.356 -8.346 1.00 35.81 C ATOM 2120 OE1 GLN A 730 21.720 -6.958 -8.967 1.00 27.30 O ATOM 2121 NE2 GLN A 730 21.078 -5.706 -7.217 1.00 24.92 N ATOM 2122 HE22 GLN A 730 20.311 -5.211 -6.719 1.00 0.00 H ATOM 2123 HE21 GLN A 730 22.043 -5.691 -6.831 1.00 0.00 H ATOM 2124 H GLN A 730 20.799 -8.419 -9.848 1.00 0.00 H ATOM 2125 N LEU A 731 20.116 -8.281 -13.041 1.00 19.90 N ATOM 2126 CA LEU A 731 20.390 -8.191 -14.483 1.00 19.12 C ATOM 2127 C LEU A 731 20.318 -9.465 -15.302 1.00 21.67 C ATOM 2128 O LEU A 731 20.680 -10.537 -14.827 1.00 19.36 O ATOM 2129 CB LEU A 731 21.804 -7.594 -14.670 1.00 18.99 C ATOM 2130 CG LEU A 731 22.162 -6.297 -13.921 1.00 22.65 C ATOM 2131 CD1 LEU A 731 23.553 -5.896 -14.256 1.00 21.37 C ATOM 2132 CD2 LEU A 731 21.169 -5.136 -14.204 1.00 22.06 C ATOM 2133 H LEU A 731 20.806 -8.783 -12.447 1.00 0.00 H ATOM 2134 N SER A 732 19.930 -9.319 -16.595 1.00 18.85 N ATOM 2135 CA SER A 732 19.922 -10.406 -17.555 1.00 18.62 C ATOM 2136 C SER A 732 21.405 -10.704 -17.884 1.00 21.21 C ATOM 2137 O SER A 732 22.295 -9.904 -17.551 1.00 20.93 O ATOM 2138 CB SER A 732 19.220 -9.964 -18.841 1.00 22.32 C ATOM 2139 OG SER A 732 19.968 -8.975 -19.537 1.00 23.31 O ATOM 2140 HG SER A 732 20.084 -8.181 -18.957 1.00 0.00 H ATOM 2141 H SER A 732 19.622 -8.378 -16.914 1.00 0.00 H ATOM 2142 N ASN A 733 21.674 -11.822 -18.552 1.00 17.68 N ATOM 2143 CA ASN A 733 23.049 -12.153 -18.958 1.00 17.84 C ATOM 2144 C ASN A 733 23.694 -11.048 -19.807 1.00 21.61 C ATOM 2145 O ASN A 733 24.868 -10.721 -19.608 1.00 19.00 O ATOM 2146 CB ASN A 733 23.039 -13.440 -19.768 1.00 20.92 C ATOM 2147 CG ASN A 733 22.820 -14.652 -18.908 1.00 35.94 C ATOM 2148 OD1 ASN A 733 23.246 -14.704 -17.752 1.00 26.10 O ATOM 2149 ND2 ASN A 733 22.146 -15.649 -19.458 1.00 27.34 N ATOM 2150 HD22 ASN A 733 21.803 -15.567 -20.436 1.00 0.00 H ATOM 2151 HD21 ASN A 733 21.959 -16.514 -18.912 1.00 0.00 H ATOM 2152 H ASN A 733 20.899 -12.473 -18.791 1.00 0.00 H ATOM 2153 N THR A 734 22.930 -10.486 -20.756 1.00 19.69 N ATOM 2154 CA THR A 734 23.483 -9.447 -21.639 1.00 19.57 C ATOM 2155 C THR A 734 23.746 -8.163 -20.873 1.00 20.05 C ATOM 2156 O THR A 734 24.746 -7.501 -21.146 1.00 19.95 O ATOM 2157 CB THR A 734 22.622 -9.221 -22.901 1.00 28.62 C ATOM 2158 OG1 THR A 734 21.350 -8.748 -22.496 1.00 32.19 O ATOM 2159 CG2 THR A 734 22.476 -10.481 -23.751 1.00 30.49 C ATOM 2160 HG1 THR A 734 20.921 -9.420 -21.909 1.00 0.00 H ATOM 2161 H THR A 734 21.941 -10.787 -20.868 1.00 0.00 H ATOM 2162 N GLU A 735 22.871 -7.823 -19.919 1.00 17.00 N ATOM 2163 CA GLU A 735 23.038 -6.627 -19.073 1.00 16.96 C ATOM 2164 C GLU A 735 24.245 -6.821 -18.155 1.00 19.07 C ATOM 2165 O GLU A 735 25.026 -5.883 -17.984 1.00 17.32 O ATOM 2166 CB GLU A 735 21.794 -6.368 -18.245 1.00 18.68 C ATOM 2167 CG GLU A 735 20.637 -5.801 -19.052 1.00 25.98 C ATOM 2168 CD GLU A 735 19.356 -5.688 -18.248 1.00 45.92 C ATOM 2169 OE1 GLU A 735 19.136 -6.514 -17.330 1.00 27.34 O ATOM 2170 OE2 GLU A 735 18.567 -4.764 -18.542 1.00 46.13 O ATOM 2171 H GLU A 735 22.038 -8.428 -19.768 1.00 0.00 H ATOM 2172 N ALA A 736 24.426 -8.052 -17.600 1.00 15.80 N ATOM 2173 CA ALA A 736 25.597 -8.335 -16.737 1.00 16.20 C ATOM 2174 C ALA A 736 26.897 -8.238 -17.524 1.00 18.08 C ATOM 2175 O ALA A 736 27.876 -7.677 -17.024 1.00 17.37 O ATOM 2176 CB ALA A 736 25.468 -9.706 -16.069 1.00 16.85 C ATOM 2177 H ALA A 736 23.732 -8.804 -17.785 1.00 0.00 H ATOM 2178 N ILE A 737 26.938 -8.790 -18.755 1.00 13.73 N ATOM 2179 CA ILE A 737 28.155 -8.688 -19.562 1.00 14.39 C ATOM 2180 C ILE A 737 28.519 -7.216 -19.774 1.00 17.99 C ATOM 2181 O ILE A 737 29.697 -6.859 -19.647 1.00 17.42 O ATOM 2182 CB ILE A 737 28.015 -9.430 -20.929 1.00 18.55 C ATOM 2183 CG1 ILE A 737 28.102 -10.937 -20.721 1.00 18.91 C ATOM 2184 CG2 ILE A 737 29.123 -8.973 -21.929 1.00 20.88 C ATOM 2185 CD1 ILE A 737 27.635 -11.739 -21.998 1.00 21.08 C ATOM 2186 H ILE A 737 26.105 -9.288 -19.130 1.00 0.00 H ATOM 2187 N ASP A 738 27.509 -6.379 -20.095 1.00 17.57 N ATOM 2188 CA ASP A 738 27.738 -4.955 -20.342 1.00 17.49 C ATOM 2189 C ASP A 738 28.228 -4.255 -19.074 1.00 20.58 C ATOM 2190 O ASP A 738 29.194 -3.496 -19.161 1.00 17.69 O ATOM 2191 CB ASP A 738 26.506 -4.276 -20.968 1.00 20.00 C ATOM 2192 CG ASP A 738 26.267 -4.621 -22.439 1.00 33.89 C ATOM 2193 OD1 ASP A 738 27.242 -5.028 -23.132 1.00 36.23 O ATOM 2194 OD2 ASP A 738 25.116 -4.484 -22.901 1.00 40.20 O ATOM 2195 H ASP A 738 26.543 -6.757 -20.169 1.00 0.00 H ATOM 2196 N CYS A 739 27.613 -4.533 -17.899 1.00 18.68 N ATOM 2197 CA CYS A 739 28.063 -3.936 -16.637 1.00 21.23 C ATOM 2198 C CYS A 739 29.508 -4.282 -16.307 1.00 17.37 C ATOM 2199 O CYS A 739 30.288 -3.395 -15.947 1.00 14.96 O ATOM 2200 CB CYS A 739 27.123 -4.305 -15.498 1.00 24.98 C ATOM 2201 SG CYS A 739 25.585 -3.375 -15.551 1.00 31.57 S ATOM 2202 H CYS A 739 26.803 -5.185 -17.892 1.00 0.00 H ATOM 2203 N ILE A 740 29.856 -5.570 -16.428 1.00 13.35 N ATOM 2204 CA ILE A 740 31.214 -6.046 -16.138 1.00 13.49 C ATOM 2205 C ILE A 740 32.259 -5.395 -17.076 1.00 16.35 C ATOM 2206 O ILE A 740 33.272 -4.865 -16.606 1.00 15.61 O ATOM 2207 CB ILE A 740 31.295 -7.592 -16.133 1.00 15.54 C ATOM 2208 CG1 ILE A 740 30.395 -8.186 -15.015 1.00 15.14 C ATOM 2209 CG2 ILE A 740 32.771 -8.067 -15.982 1.00 15.67 C ATOM 2210 CD1 ILE A 740 30.082 -9.711 -15.200 1.00 15.26 C ATOM 2211 H ILE A 740 29.139 -6.257 -16.738 1.00 0.00 H ATOM 2212 N THR A 741 32.015 -5.438 -18.394 1.00 13.17 N ATOM 2213 CA THR A 741 32.990 -4.875 -19.338 1.00 12.43 C ATOM 2214 C THR A 741 33.113 -3.343 -19.174 1.00 16.20 C ATOM 2215 O THR A 741 34.193 -2.828 -19.376 1.00 17.00 O ATOM 2216 CB THR A 741 32.709 -5.334 -20.760 1.00 18.51 C ATOM 2217 OG1 THR A 741 31.408 -4.907 -21.143 1.00 19.24 O ATOM 2218 CG2 THR A 741 32.850 -6.874 -20.907 1.00 17.94 C ATOM 2219 HG1 THR A 741 31.223 -5.205 -22.069 1.00 0.00 H ATOM 2220 H THR A 741 31.137 -5.869 -18.747 1.00 0.00 H ATOM 2221 N GLN A 742 32.043 -2.663 -18.736 1.00 13.52 N ATOM 2222 CA GLN A 742 32.035 -1.205 -18.469 1.00 14.31 C ATOM 2223 C GLN A 742 32.808 -0.864 -17.172 1.00 17.09 C ATOM 2224 O GLN A 742 33.133 0.299 -16.949 1.00 16.45 O ATOM 2225 CB GLN A 742 30.593 -0.681 -18.370 1.00 15.76 C ATOM 2226 CG GLN A 742 29.897 -0.532 -19.722 1.00 18.86 C ATOM 2227 CD GLN A 742 30.584 0.505 -20.584 1.00 24.56 C ATOM 2228 OE1 GLN A 742 31.255 0.183 -21.562 1.00 27.98 O ATOM 2229 NE2 GLN A 742 30.451 1.758 -20.217 1.00 18.62 N ATOM 2230 HE22 GLN A 742 29.876 1.998 -19.384 1.00 0.00 H ATOM 2231 HE21 GLN A 742 30.921 2.511 -20.759 1.00 0.00 H ATOM 2232 H GLN A 742 31.163 -3.193 -18.573 1.00 0.00 H ATOM 2233 N GLY A 743 33.070 -1.869 -16.345 1.00 13.47 N ATOM 2234 CA GLY A 743 33.827 -1.712 -15.091 1.00 14.23 C ATOM 2235 C GLY A 743 32.983 -1.541 -13.849 1.00 16.91 C ATOM 2236 O GLY A 743 33.489 -1.060 -12.828 1.00 18.13 O ATOM 2237 H GLY A 743 32.723 -2.817 -16.596 1.00 0.00 H ATOM 2238 N ARG A 744 31.707 -1.911 -13.893 1.00 14.21 N ATOM 2239 CA ARG A 744 30.829 -1.748 -12.710 1.00 13.93 C ATOM 2240 C ARG A 744 31.193 -2.721 -11.605 1.00 18.30 C ATOM 2241 O ARG A 744 31.524 -3.866 -11.891 1.00 18.33 O ATOM 2242 CB ARG A 744 29.366 -1.941 -13.076 1.00 13.55 C ATOM 2243 CG ARG A 744 28.446 -1.324 -12.024 1.00 17.47 C ATOM 2244 CD ARG A 744 27.016 -1.296 -12.487 1.00 19.45 C ATOM 2245 NE ARG A 744 26.862 -0.433 -13.656 1.00 19.44 N ATOM 2246 CZ ARG A 744 25.692 -0.100 -14.177 1.00 41.66 C ATOM 2247 NH1 ARG A 744 24.563 -0.524 -13.618 1.00 31.49 N ATOM 2248 NH2 ARG A 744 25.637 0.667 -15.256 1.00 28.95 N ATOM 2249 HE ARG A 744 27.722 -0.059 -14.105 1.00 0.00 H ATOM 2250 HH12 ARG A 744 23.646 -0.259 -14.032 1.00 0.00 H ATOM 2251 HH11 ARG A 744 24.596 -1.121 -12.767 1.00 0.00 H ATOM 2252 HH22 ARG A 744 24.716 0.927 -15.663 1.00 0.00 H ATOM 2253 HH21 ARG A 744 26.515 1.009 -15.696 1.00 0.00 H ATOM 2254 H ARG A 744 31.320 -2.320 -14.768 1.00 0.00 H ATOM 2255 N GLU A 745 31.168 -2.270 -10.349 1.00 14.18 N ATOM 2256 CA GLU A 745 31.518 -3.190 -9.268 1.00 14.04 C ATOM 2257 C GLU A 745 30.283 -3.629 -8.503 1.00 15.29 C ATOM 2258 O GLU A 745 29.341 -2.851 -8.323 1.00 15.94 O ATOM 2259 CB GLU A 745 32.551 -2.542 -8.312 1.00 17.45 C ATOM 2260 CG GLU A 745 31.967 -1.405 -7.515 1.00 28.72 C ATOM 2261 CD GLU A 745 32.828 -0.817 -6.420 1.00 34.27 C ATOM 2262 OE1 GLU A 745 34.043 -1.117 -6.357 1.00 18.34 O ATOM 2263 OE2 GLU A 745 32.264 -0.044 -5.619 1.00 22.47 O ATOM 2264 H GLU A 745 30.905 -1.285 -10.144 1.00 0.00 H ATOM 2265 N LEU A 746 30.271 -4.865 -8.051 1.00 12.52 N ATOM 2266 CA LEU A 746 29.163 -5.344 -7.231 1.00 12.76 C ATOM 2267 C LEU A 746 29.140 -4.504 -5.914 1.00 16.78 C ATOM 2268 O LEU A 746 30.190 -4.151 -5.376 1.00 16.22 O ATOM 2269 CB LEU A 746 29.414 -6.814 -6.871 1.00 12.64 C ATOM 2270 CG LEU A 746 29.241 -7.810 -8.055 1.00 14.61 C ATOM 2271 CD1 LEU A 746 29.922 -9.165 -7.730 1.00 13.31 C ATOM 2272 CD2 LEU A 746 27.763 -8.025 -8.357 1.00 18.28 C ATOM 2273 H LEU A 746 31.058 -5.506 -8.280 1.00 0.00 H ATOM 2274 N GLU A 747 27.942 -4.221 -5.424 1.00 16.26 N ATOM 2275 CA GLU A 747 27.647 -3.449 -4.211 1.00 16.85 C ATOM 2276 C GLU A 747 28.158 -4.178 -2.974 1.00 19.46 C ATOM 2277 O GLU A 747 28.154 -5.409 -2.929 1.00 18.19 O ATOM 2278 CB GLU A 747 26.109 -3.263 -4.139 1.00 19.24 C ATOM 2279 CG GLU A 747 25.542 -2.637 -2.867 1.00 32.78 C ATOM 2280 CD GLU A 747 24.039 -2.411 -2.830 1.00 57.97 C ATOM 2281 OE1 GLU A 747 23.309 -2.995 -3.667 1.00 56.27 O ATOM 2282 OE2 GLU A 747 23.591 -1.639 -1.953 1.00 51.44 O ATOM 2283 H GLU A 747 27.125 -4.584 -5.955 1.00 0.00 H ATOM 2284 N ARG A 748 28.583 -3.431 -1.969 1.00 13.93 N ATOM 2285 CA ARG A 748 29.036 -4.066 -0.726 1.00 14.51 C ATOM 2286 C ARG A 748 27.830 -4.772 -0.029 1.00 19.68 C ATOM 2287 O ARG A 748 26.808 -4.135 0.228 1.00 19.36 O ATOM 2288 CB ARG A 748 29.674 -3.045 0.250 1.00 13.90 C ATOM 2289 CG ARG A 748 30.187 -3.706 1.551 1.00 17.34 C ATOM 2290 CD ARG A 748 30.944 -2.781 2.496 1.00 24.49 C ATOM 2291 NE ARG A 748 30.119 -1.643 2.896 1.00 34.59 N ATOM 2292 CZ ARG A 748 29.284 -1.632 3.930 1.00 53.56 C ATOM 2293 NH1 ARG A 748 29.143 -2.711 4.694 1.00 37.88 N ATOM 2294 NH2 ARG A 748 28.578 -0.541 4.207 1.00 42.30 N ATOM 2295 HE ARG A 748 30.191 -0.775 2.328 1.00 0.00 H ATOM 2296 HH12 ARG A 748 28.488 -2.694 5.501 1.00 0.00 H ATOM 2297 HH11 ARG A 748 29.688 -3.572 4.484 1.00 0.00 H ATOM 2298 HH22 ARG A 748 27.925 -0.536 5.017 1.00 0.00 H ATOM 2299 HH21 ARG A 748 28.678 0.308 3.614 1.00 0.00 H ATOM 2300 H ARG A 748 28.596 -2.395 -2.059 1.00 0.00 H ATOM 2301 N PRO A 749 27.945 -6.079 0.276 1.00 14.25 N ATOM 2302 CA PRO A 749 26.835 -6.774 0.980 1.00 14.77 C ATOM 2303 C PRO A 749 26.592 -6.176 2.379 1.00 19.20 C ATOM 2304 O PRO A 749 27.534 -5.711 3.027 1.00 16.50 O ATOM 2305 CB PRO A 749 27.354 -8.225 1.108 1.00 15.53 C ATOM 2306 CG PRO A 749 28.375 -8.360 -0.045 1.00 18.29 C ATOM 2307 CD PRO A 749 29.054 -7.002 -0.046 1.00 14.32 C ATOM 2308 N ARG A 750 25.340 -6.227 2.861 1.00 19.03 N ATOM 2309 CA ARG A 750 24.982 -5.753 4.207 1.00 20.87 C ATOM 2310 C ARG A 750 25.838 -6.428 5.299 1.00 22.44 C ATOM 2311 O ARG A 750 26.309 -5.754 6.224 1.00 22.49 O ATOM 2312 CB ARG A 750 23.474 -6.017 4.458 1.00 27.73 C ATOM 2313 CG ARG A 750 22.986 -5.512 5.821 1.00 44.63 C ATOM 2314 CD ARG A 750 21.470 -5.467 5.904 1.00 60.99 C ATOM 2315 NE ARG A 750 21.008 -4.792 7.121 1.00 75.99 N ATOM 2316 CZ ARG A 750 20.893 -3.473 7.260 1.00 94.20 C ATOM 2317 NH1 ARG A 750 21.215 -2.661 6.260 1.00 82.66 N ATOM 2318 NH2 ARG A 750 20.463 -2.956 8.403 1.00 84.63 N ATOM 2319 HE ARG A 750 20.752 -5.387 7.935 1.00 0.00 H ATOM 2320 HH12 ARG A 750 21.123 -1.632 6.376 1.00 0.00 H ATOM 2321 HH11 ARG A 750 21.560 -3.054 5.361 1.00 0.00 H ATOM 2322 HH22 ARG A 750 20.375 -1.925 8.507 1.00 0.00 H ATOM 2323 HH21 ARG A 750 20.214 -3.582 9.196 1.00 0.00 H ATOM 2324 H ARG A 750 24.590 -6.619 2.256 1.00 0.00 H ATOM 2325 N ALA A 751 26.086 -7.756 5.171 1.00 17.64 N ATOM 2326 CA ALA A 751 26.881 -8.501 6.151 1.00 18.23 C ATOM 2327 C ALA A 751 28.399 -8.377 5.935 1.00 21.13 C ATOM 2328 O ALA A 751 29.181 -8.899 6.727 1.00 18.27 O ATOM 2329 CB ALA A 751 26.471 -9.977 6.151 1.00 19.34 C ATOM 2330 H ALA A 751 25.699 -8.262 4.349 1.00 0.00 H ATOM 2331 N CYS A 752 28.823 -7.658 4.875 1.00 19.26 N ATOM 2332 CA CYS A 752 30.238 -7.522 4.583 1.00 17.45 C ATOM 2333 C CYS A 752 30.916 -6.349 5.320 1.00 20.66 C ATOM 2334 O CYS A 752 30.573 -5.198 5.019 1.00 20.20 O ATOM 2335 CB CYS A 752 30.428 -7.409 3.072 1.00 16.33 C ATOM 2336 SG CYS A 752 32.145 -7.262 2.546 1.00 19.18 S ATOM 2337 H CYS A 752 28.126 -7.194 4.258 1.00 0.00 H ATOM 2338 N PRO A 753 31.917 -6.597 6.204 1.00 17.65 N ATOM 2339 CA PRO A 753 32.633 -5.468 6.838 1.00 18.06 C ATOM 2340 C PRO A 753 33.411 -4.689 5.767 1.00 21.14 C ATOM 2341 O PRO A 753 33.796 -5.280 4.754 1.00 19.27 O ATOM 2342 CB PRO A 753 33.652 -6.163 7.756 1.00 20.04 C ATOM 2343 CG PRO A 753 33.139 -7.547 7.944 1.00 23.97 C ATOM 2344 CD PRO A 753 32.471 -7.891 6.651 1.00 17.67 C ATOM 2345 N PRO A 754 33.697 -3.389 5.983 1.00 20.59 N ATOM 2346 CA PRO A 754 34.470 -2.626 4.979 1.00 18.80 C ATOM 2347 C PRO A 754 35.811 -3.260 4.642 1.00 19.14 C ATOM 2348 O PRO A 754 36.203 -3.205 3.487 1.00 17.10 O ATOM 2349 CB PRO A 754 34.659 -1.259 5.655 1.00 21.68 C ATOM 2350 CG PRO A 754 33.421 -1.125 6.532 1.00 27.78 C ATOM 2351 CD PRO A 754 33.301 -2.525 7.121 1.00 22.62 C ATOM 2352 N GLU A 755 36.511 -3.880 5.633 1.00 15.92 N ATOM 2353 CA GLU A 755 37.810 -4.523 5.384 1.00 17.18 C ATOM 2354 C GLU A 755 37.698 -5.668 4.388 1.00 17.67 C ATOM 2355 O GLU A 755 38.623 -5.890 3.605 1.00 15.85 O ATOM 2356 CB GLU A 755 38.493 -4.996 6.682 1.00 20.46 C ATOM 2357 CG GLU A 755 37.564 -5.751 7.625 1.00 35.36 C ATOM 2358 CD GLU A 755 36.934 -4.917 8.724 1.00 54.31 C ATOM 2359 OE1 GLU A 755 36.197 -3.951 8.411 1.00 23.06 O ATOM 2360 OE2 GLU A 755 37.171 -5.245 9.909 1.00 61.94 O ATOM 2361 H GLU A 755 36.115 -3.899 6.594 1.00 0.00 H ATOM 2362 N VAL A 756 36.565 -6.377 4.402 1.00 14.24 N ATOM 2363 CA VAL A 756 36.356 -7.500 3.485 1.00 14.88 C ATOM 2364 C VAL A 756 36.011 -6.959 2.085 1.00 15.60 C ATOM 2365 O VAL A 756 36.437 -7.509 1.068 1.00 14.08 O ATOM 2366 CB VAL A 756 35.338 -8.525 4.051 1.00 18.68 C ATOM 2367 CG1 VAL A 756 35.057 -9.635 3.029 1.00 18.79 C ATOM 2368 CG2 VAL A 756 35.863 -9.120 5.375 1.00 18.73 C ATOM 2369 H VAL A 756 35.816 -6.126 5.078 1.00 0.00 H ATOM 2370 N TYR A 757 35.264 -5.854 2.031 1.00 12.56 N ATOM 2371 CA TYR A 757 34.956 -5.252 0.738 1.00 13.10 C ATOM 2372 C TYR A 757 36.227 -4.724 0.069 1.00 15.28 C ATOM 2373 O TYR A 757 36.363 -4.825 -1.154 1.00 13.86 O ATOM 2374 CB TYR A 757 33.883 -4.167 0.895 1.00 13.82 C ATOM 2375 CG TYR A 757 33.264 -3.681 -0.391 1.00 13.43 C ATOM 2376 CD1 TYR A 757 32.638 -4.568 -1.273 1.00 14.35 C ATOM 2377 CD2 TYR A 757 33.278 -2.325 -0.725 1.00 14.10 C ATOM 2378 CE1 TYR A 757 32.025 -4.109 -2.443 1.00 13.02 C ATOM 2379 CE2 TYR A 757 32.670 -1.862 -1.884 1.00 14.28 C ATOM 2380 CZ TYR A 757 32.043 -2.754 -2.742 1.00 17.24 C ATOM 2381 OH TYR A 757 31.440 -2.270 -3.890 1.00 18.13 O ATOM 2382 HH TYR A 757 31.040 -3.023 -4.394 1.00 0.00 H ATOM 2383 H TYR A 757 34.903 -5.424 2.907 1.00 0.00 H ATOM 2384 N ALA A 758 37.189 -4.192 0.860 1.00 14.05 N ATOM 2385 CA ALA A 758 38.458 -3.703 0.307 1.00 13.75 C ATOM 2386 C ALA A 758 39.233 -4.892 -0.316 1.00 15.48 C ATOM 2387 O ALA A 758 39.890 -4.725 -1.344 1.00 13.88 O ATOM 2388 CB ALA A 758 39.287 -3.024 1.403 1.00 13.76 C ATOM 2389 H ALA A 758 37.025 -4.128 1.885 1.00 0.00 H ATOM 2390 N ILE A 759 39.144 -6.097 0.296 1.00 13.09 N ATOM 2391 CA ILE A 759 39.799 -7.298 -0.269 1.00 13.08 C ATOM 2392 C ILE A 759 39.133 -7.636 -1.636 1.00 15.07 C ATOM 2393 O ILE A 759 39.847 -7.896 -2.615 1.00 14.34 O ATOM 2394 CB ILE A 759 39.722 -8.511 0.702 1.00 15.34 C ATOM 2395 CG1 ILE A 759 40.491 -8.218 2.009 1.00 15.91 C ATOM 2396 CG2 ILE A 759 40.238 -9.804 0.010 1.00 14.79 C ATOM 2397 CD1 ILE A 759 40.211 -9.223 3.090 1.00 21.13 C ATOM 2398 H ILE A 759 38.604 -6.180 1.181 1.00 0.00 H ATOM 2399 N MET A 760 37.774 -7.602 -1.714 1.00 12.46 N ATOM 2400 CA MET A 760 37.063 -7.855 -2.984 1.00 12.10 C ATOM 2401 C MET A 760 37.559 -6.878 -4.060 1.00 15.72 C ATOM 2402 O MET A 760 37.897 -7.266 -5.181 1.00 14.19 O ATOM 2403 CB MET A 760 35.538 -7.663 -2.828 1.00 13.59 C ATOM 2404 CG MET A 760 34.851 -8.693 -1.949 1.00 16.26 C ATOM 2405 SD MET A 760 33.063 -8.347 -1.911 1.00 18.79 S ATOM 2406 CE MET A 760 32.665 -9.109 -0.396 1.00 17.49 C ATOM 2407 H MET A 760 37.222 -7.393 -0.858 1.00 0.00 H ATOM 2408 N ARG A 761 37.655 -5.594 -3.684 1.00 13.76 N ATOM 2409 CA ARG A 761 38.112 -4.529 -4.602 1.00 13.85 C ATOM 2410 C ARG A 761 39.514 -4.768 -5.109 1.00 16.95 C ATOM 2411 O ARG A 761 39.773 -4.496 -6.293 1.00 16.04 O ATOM 2412 CB ARG A 761 37.949 -3.150 -3.944 1.00 12.15 C ATOM 2413 CG ARG A 761 36.486 -2.701 -3.927 1.00 16.56 C ATOM 2414 CD ARG A 761 36.381 -1.348 -3.198 1.00 15.81 C ATOM 2415 NE ARG A 761 35.277 -0.535 -3.715 1.00 15.22 N ATOM 2416 CZ ARG A 761 34.812 0.558 -3.125 1.00 24.23 C ATOM 2417 NH1 ARG A 761 35.336 0.975 -1.972 1.00 16.47 N ATOM 2418 NH2 ARG A 761 33.810 1.238 -3.672 1.00 15.82 N ATOM 2419 HE ARG A 761 34.828 -0.835 -4.604 1.00 0.00 H ATOM 2420 HH12 ARG A 761 34.968 1.833 -1.513 1.00 0.00 H ATOM 2421 HH11 ARG A 761 36.113 0.443 -1.531 1.00 0.00 H ATOM 2422 HH22 ARG A 761 33.448 2.095 -3.207 1.00 0.00 H ATOM 2423 HH21 ARG A 761 33.388 0.914 -4.565 1.00 0.00 H ATOM 2424 H ARG A 761 37.398 -5.338 -2.709 1.00 0.00 H ATOM 2425 N GLY A 762 40.381 -5.329 -4.253 1.00 13.54 N ATOM 2426 CA GLY A 762 41.754 -5.694 -4.627 1.00 12.73 C ATOM 2427 C GLY A 762 41.759 -6.790 -5.698 1.00 16.37 C ATOM 2428 O GLY A 762 42.608 -6.784 -6.596 1.00 16.60 O ATOM 2429 H GLY A 762 40.067 -5.514 -3.279 1.00 0.00 H ATOM 2430 N CYS A 763 40.804 -7.741 -5.625 1.00 12.97 N ATOM 2431 CA CYS A 763 40.669 -8.832 -6.624 1.00 11.92 C ATOM 2432 C CYS A 763 40.113 -8.284 -7.929 1.00 14.86 C ATOM 2433 O CYS A 763 40.205 -8.970 -8.949 1.00 14.06 O ATOM 2434 CB CYS A 763 39.719 -9.920 -6.110 1.00 12.16 C ATOM 2435 SG CYS A 763 40.273 -10.746 -4.595 1.00 15.50 S ATOM 2436 H CYS A 763 40.131 -7.708 -4.832 1.00 0.00 H ATOM 2437 N TRP A 764 39.389 -7.137 -7.864 1.00 11.31 N ATOM 2438 CA TRP A 764 38.657 -6.575 -9.002 1.00 12.39 C ATOM 2439 C TRP A 764 39.333 -5.405 -9.698 1.00 14.19 C ATOM 2440 O TRP A 764 38.684 -4.671 -10.434 1.00 12.21 O ATOM 2441 CB TRP A 764 37.243 -6.200 -8.581 1.00 12.32 C ATOM 2442 CG TRP A 764 36.388 -7.340 -8.120 1.00 12.89 C ATOM 2443 CD1 TRP A 764 36.525 -8.666 -8.411 1.00 15.29 C ATOM 2444 CD2 TRP A 764 35.276 -7.231 -7.228 1.00 12.62 C ATOM 2445 NE1 TRP A 764 35.530 -9.394 -7.775 1.00 14.33 N ATOM 2446 CE2 TRP A 764 34.757 -8.534 -7.037 1.00 14.50 C ATOM 2447 CE3 TRP A 764 34.635 -6.136 -6.600 1.00 13.60 C ATOM 2448 CZ2 TRP A 764 33.624 -8.781 -6.247 1.00 13.55 C ATOM 2449 CZ3 TRP A 764 33.518 -6.387 -5.809 1.00 14.59 C ATOM 2450 CH2 TRP A 764 33.022 -7.693 -5.645 1.00 14.78 C ATOM 2451 HE1 TRP A 764 35.393 -10.422 -7.846 1.00 0.00 H ATOM 2452 H TRP A 764 39.352 -6.630 -6.957 1.00 0.00 H ATOM 2453 N GLN A 765 40.641 -5.275 -9.539 1.00 13.79 N ATOM 2454 CA GLN A 765 41.359 -4.221 -10.288 1.00 14.09 C ATOM 2455 C GLN A 765 41.178 -4.526 -11.792 1.00 16.27 C ATOM 2456 O GLN A 765 41.249 -5.695 -12.204 1.00 13.82 O ATOM 2457 CB GLN A 765 42.858 -4.192 -9.918 1.00 15.34 C ATOM 2458 CG GLN A 765 43.088 -3.814 -8.439 1.00 14.39 C ATOM 2459 CD GLN A 765 42.455 -2.492 -8.106 1.00 25.71 C ATOM 2460 OE1 GLN A 765 42.786 -1.462 -8.685 1.00 21.44 O ATOM 2461 NE2 GLN A 765 41.501 -2.495 -7.197 1.00 19.84 N ATOM 2462 HE22 GLN A 765 41.239 -3.382 -6.721 1.00 0.00 H ATOM 2463 HE21 GLN A 765 41.010 -1.611 -6.956 1.00 0.00 H ATOM 2464 H GLN A 765 41.158 -5.907 -8.895 1.00 0.00 H ATOM 2465 N ARG A 766 40.920 -3.484 -12.616 1.00 13.10 N ATOM 2466 CA ARG A 766 40.693 -3.737 -14.045 1.00 13.41 C ATOM 2467 C ARG A 766 41.851 -4.461 -14.738 1.00 14.93 C ATOM 2468 O ARG A 766 41.595 -5.399 -15.464 1.00 14.26 O ATOM 2469 CB ARG A 766 40.351 -2.443 -14.803 1.00 13.88 C ATOM 2470 CG ARG A 766 39.757 -2.705 -16.204 1.00 13.59 C ATOM 2471 CD ARG A 766 39.019 -1.448 -16.642 1.00 17.75 C ATOM 2472 NE ARG A 766 38.487 -1.529 -17.997 1.00 14.02 N ATOM 2473 CZ ARG A 766 37.282 -1.990 -18.303 1.00 20.94 C ATOM 2474 NH1 ARG A 766 36.463 -2.425 -17.342 1.00 13.44 N ATOM 2475 NH2 ARG A 766 36.867 -1.992 -19.566 1.00 14.53 N ATOM 2476 HE ARG A 766 39.094 -1.203 -18.776 1.00 0.00 H ATOM 2477 HH12 ARG A 766 35.519 -2.786 -17.587 1.00 0.00 H ATOM 2478 HH11 ARG A 766 36.769 -2.403 -16.348 1.00 0.00 H ATOM 2479 HH22 ARG A 766 35.921 -2.354 -19.802 1.00 0.00 H ATOM 2480 HH21 ARG A 766 37.488 -1.631 -20.318 1.00 0.00 H ATOM 2481 H ARG A 766 40.883 -2.514 -12.242 1.00 0.00 H ATOM 2482 N GLU A 767 43.095 -4.021 -14.541 1.00 14.47 N ATOM 2483 CA GLU A 767 44.264 -4.644 -15.172 1.00 13.37 C ATOM 2484 C GLU A 767 44.558 -5.929 -14.426 1.00 15.72 C ATOM 2485 O GLU A 767 44.738 -5.859 -13.215 1.00 14.10 O ATOM 2486 CB GLU A 767 45.485 -3.714 -15.081 1.00 14.74 C ATOM 2487 CG GLU A 767 45.299 -2.457 -15.924 1.00 16.86 C ATOM 2488 CD GLU A 767 46.428 -1.495 -15.616 1.00 25.05 C ATOM 2489 OE1 GLU A 767 46.379 -0.885 -14.533 1.00 20.29 O ATOM 2490 OE2 GLU A 767 47.366 -1.363 -16.435 1.00 22.81 O ATOM 2491 H GLU A 767 43.242 -3.204 -13.915 1.00 0.00 H ATOM 2492 N PRO A 768 44.636 -7.089 -15.125 1.00 14.48 N ATOM 2493 CA PRO A 768 44.909 -8.368 -14.416 1.00 15.08 C ATOM 2494 C PRO A 768 46.167 -8.318 -13.559 1.00 18.20 C ATOM 2495 O PRO A 768 46.144 -8.837 -12.436 1.00 17.53 O ATOM 2496 CB PRO A 768 45.040 -9.392 -15.559 1.00 17.43 C ATOM 2497 CG PRO A 768 44.263 -8.817 -16.674 1.00 21.36 C ATOM 2498 CD PRO A 768 44.434 -7.311 -16.569 1.00 16.65 C ATOM 2499 N GLN A 769 47.254 -7.660 -14.057 1.00 16.67 N ATOM 2500 CA GLN A 769 48.524 -7.569 -13.326 1.00 17.23 C ATOM 2501 C GLN A 769 48.443 -6.710 -12.053 1.00 19.15 C ATOM 2502 O GLN A 769 49.314 -6.828 -11.177 1.00 18.51 O ATOM 2503 CB GLN A 769 49.676 -7.107 -14.250 1.00 18.99 C ATOM 2504 CG GLN A 769 49.572 -5.663 -14.733 1.00 28.18 C ATOM 2505 CD GLN A 769 48.687 -5.396 -15.943 1.00 35.15 C ATOM 2506 OE1 GLN A 769 47.898 -6.241 -16.446 1.00 12.01 O ATOM 2507 NE2 GLN A 769 48.817 -4.172 -16.432 1.00 36.47 N ATOM 2508 HE22 GLN A 769 49.479 -3.503 -15.989 1.00 0.00 H ATOM 2509 HE21 GLN A 769 48.257 -3.880 -17.259 1.00 0.00 H ATOM 2510 H GLN A 769 47.180 -7.206 -14.990 1.00 0.00 H ATOM 2511 N GLN A 770 47.404 -5.867 -11.943 1.00 13.28 N ATOM 2512 CA GLN A 770 47.214 -4.998 -10.796 1.00 12.55 C ATOM 2513 C GLN A 770 46.417 -5.697 -9.664 1.00 16.27 C ATOM 2514 O GLN A 770 46.358 -5.178 -8.552 1.00 14.15 O ATOM 2515 CB GLN A 770 46.499 -3.693 -11.212 1.00 13.64 C ATOM 2516 CG GLN A 770 47.434 -2.669 -11.866 1.00 19.18 C ATOM 2517 CD GLN A 770 48.360 -2.025 -10.851 1.00 31.70 C ATOM 2518 OE1 GLN A 770 49.553 -2.219 -10.913 1.00 26.50 O ATOM 2519 NE2 GLN A 770 47.832 -1.266 -9.880 1.00 26.44 N ATOM 2520 HE22 GLN A 770 46.804 -1.110 -9.842 1.00 0.00 H ATOM 2521 HE21 GLN A 770 48.450 -0.833 -9.164 1.00 0.00 H ATOM 2522 H GLN A 770 46.705 -5.835 -12.713 1.00 0.00 H ATOM 2523 N ARG A 771 45.773 -6.838 -9.955 1.00 13.42 N ATOM 2524 CA ARG A 771 44.975 -7.541 -8.926 1.00 12.41 C ATOM 2525 C ARG A 771 45.895 -8.095 -7.834 1.00 16.33 C ATOM 2526 O ARG A 771 47.036 -8.480 -8.104 1.00 15.55 O ATOM 2527 CB ARG A 771 44.128 -8.684 -9.566 1.00 10.06 C ATOM 2528 CG ARG A 771 43.144 -8.108 -10.553 1.00 10.64 C ATOM 2529 CD ARG A 771 42.401 -9.143 -11.401 1.00 12.40 C ATOM 2530 NE ARG A 771 41.762 -8.438 -12.521 1.00 11.69 N ATOM 2531 CZ ARG A 771 41.444 -8.995 -13.684 1.00 15.18 C ATOM 2532 NH1 ARG A 771 41.643 -10.303 -13.884 1.00 11.34 N ATOM 2533 NH2 ARG A 771 40.960 -8.248 -14.671 1.00 12.87 N ATOM 2534 HE ARG A 771 41.543 -7.429 -12.394 1.00 0.00 H ATOM 2535 HH12 ARG A 771 41.392 -10.734 -14.797 1.00 0.00 H ATOM 2536 HH11 ARG A 771 42.049 -10.889 -13.127 1.00 0.00 H ATOM 2537 HH22 ARG A 771 40.712 -8.686 -15.581 1.00 0.00 H ATOM 2538 HH21 ARG A 771 40.830 -7.225 -14.533 1.00 0.00 H ATOM 2539 H ARG A 771 45.836 -7.233 -10.915 1.00 0.00 H ATOM 2540 N HIS A 772 45.418 -8.093 -6.593 1.00 15.52 N ATOM 2541 CA HIS A 772 46.208 -8.618 -5.490 1.00 17.66 C ATOM 2542 C HIS A 772 46.467 -10.104 -5.706 1.00 18.86 C ATOM 2543 O HIS A 772 45.655 -10.761 -6.358 1.00 16.60 O ATOM 2544 CB HIS A 772 45.454 -8.371 -4.169 1.00 21.35 C ATOM 2545 CG HIS A 772 45.297 -6.910 -3.845 1.00 26.83 C ATOM 2546 ND1 HIS A 772 44.763 -6.494 -2.637 1.00 30.31 N ATOM 2547 CD2 HIS A 772 45.644 -5.811 -4.565 1.00 30.54 C ATOM 2548 CE1 HIS A 772 44.799 -5.169 -2.661 1.00 29.97 C ATOM 2549 NE2 HIS A 772 45.312 -4.713 -3.800 1.00 30.66 N ATOM 2550 H HIS A 772 44.468 -7.711 -6.408 1.00 0.00 H ATOM 2551 N SER A 773 47.598 -10.644 -5.191 1.00 15.62 N ATOM 2552 CA SER A 773 47.823 -12.080 -5.385 1.00 14.85 C ATOM 2553 C SER A 773 46.927 -12.848 -4.436 1.00 15.87 C ATOM 2554 O SER A 773 46.586 -12.338 -3.363 1.00 15.29 O ATOM 2555 CB SER A 773 49.276 -12.475 -5.131 1.00 19.10 C ATOM 2556 OG SER A 773 49.577 -12.399 -3.748 1.00 24.52 O ATOM 2557 HG SER A 773 50.521 -12.658 -3.602 1.00 0.00 H ATOM 2558 H SER A 773 48.285 -10.058 -4.674 1.00 0.00 H ATOM 2559 N ILE A 774 46.581 -14.078 -4.808 1.00 14.34 N ATOM 2560 CA ILE A 774 45.739 -14.932 -3.947 1.00 14.82 C ATOM 2561 C ILE A 774 46.450 -15.213 -2.606 1.00 16.69 C ATOM 2562 O ILE A 774 45.794 -15.367 -1.581 1.00 16.39 O ATOM 2563 CB ILE A 774 45.245 -16.218 -4.684 1.00 17.90 C ATOM 2564 CG1 ILE A 774 44.182 -16.985 -3.844 1.00 17.18 C ATOM 2565 CG2 ILE A 774 46.396 -17.168 -5.073 1.00 18.17 C ATOM 2566 CD1 ILE A 774 42.816 -16.264 -3.666 1.00 21.62 C ATOM 2567 H ILE A 774 46.910 -14.445 -5.724 1.00 0.00 H ATOM 2568 N LYS A 775 47.799 -15.249 -2.610 1.00 15.40 N ATOM 2569 CA LYS A 775 48.549 -15.477 -1.360 1.00 16.05 C ATOM 2570 C LYS A 775 48.300 -14.303 -0.403 1.00 19.69 C ATOM 2571 O LYS A 775 48.100 -14.522 0.782 1.00 17.81 O ATOM 2572 CB LYS A 775 50.059 -15.602 -1.642 1.00 19.13 C ATOM 2573 CG LYS A 775 50.499 -17.035 -1.874 1.00 43.59 C ATOM 2574 CD LYS A 775 51.990 -17.232 -1.600 1.00 58.14 C ATOM 2575 CE LYS A 775 52.392 -18.692 -1.636 1.00 69.73 C ATOM 2576 NZ LYS A 775 52.017 -19.416 -0.385 1.00 77.34 N ATOM 2577 HZ1 LYS A 775 52.491 -18.971 0.427 1.00 0.00 H ATOM 2578 HZ2 LYS A 775 50.986 -19.369 -0.254 1.00 0.00 H ATOM 2579 HZ3 LYS A 775 52.313 -20.410 -0.459 1.00 0.00 H ATOM 2580 H LYS A 775 48.315 -15.115 -3.503 1.00 0.00 H ATOM 2581 N ASP A 776 48.316 -13.059 -0.915 1.00 17.05 N ATOM 2582 CA ASP A 776 48.075 -11.868 -0.088 1.00 16.65 C ATOM 2583 C ASP A 776 46.624 -11.809 0.412 1.00 17.47 C ATOM 2584 O ASP A 776 46.376 -11.451 1.562 1.00 16.54 O ATOM 2585 CB ASP A 776 48.459 -10.599 -0.851 1.00 19.61 C ATOM 2586 CG ASP A 776 49.977 -10.399 -0.931 1.00 34.79 C ATOM 2587 OD1 ASP A 776 50.719 -11.113 -0.201 1.00 37.15 O ATOM 2588 OD2 ASP A 776 50.422 -9.537 -1.716 1.00 33.40 O ATOM 2589 H ASP A 776 48.505 -12.936 -1.930 1.00 0.00 H ATOM 2590 N VAL A 777 45.671 -12.135 -0.478 1.00 13.92 N ATOM 2591 CA VAL A 777 44.237 -12.196 -0.165 1.00 13.39 C ATOM 2592 C VAL A 777 44.023 -13.244 0.968 1.00 16.28 C ATOM 2593 O VAL A 777 43.347 -12.944 1.977 1.00 15.05 O ATOM 2594 CB VAL A 777 43.448 -12.536 -1.453 1.00 16.35 C ATOM 2595 CG1 VAL A 777 42.012 -12.962 -1.115 1.00 17.05 C ATOM 2596 CG2 VAL A 777 43.471 -11.345 -2.455 1.00 15.56 C ATOM 2597 H VAL A 777 45.968 -12.358 -1.450 1.00 0.00 H ATOM 2598 N HIS A 778 44.596 -14.455 0.807 1.00 13.50 N ATOM 2599 CA HIS A 778 44.470 -15.493 1.846 1.00 14.74 C ATOM 2600 C HIS A 778 45.056 -15.000 3.178 1.00 19.15 C ATOM 2601 O HIS A 778 44.412 -15.176 4.229 1.00 16.67 O ATOM 2602 CB HIS A 778 45.151 -16.792 1.403 1.00 16.31 C ATOM 2603 CG HIS A 778 45.256 -17.825 2.484 1.00 21.05 C ATOM 2604 ND1 HIS A 778 44.128 -18.382 3.070 1.00 23.85 N ATOM 2605 CD2 HIS A 778 46.352 -18.367 3.058 1.00 23.80 C ATOM 2606 CE1 HIS A 778 44.572 -19.248 3.971 1.00 22.34 C ATOM 2607 NE2 HIS A 778 45.893 -19.280 4.002 1.00 23.92 N ATOM 2608 H HIS A 778 45.133 -14.658 -0.060 1.00 0.00 H ATOM 2609 N ALA A 779 46.281 -14.400 3.136 1.00 15.27 N ATOM 2610 CA ALA A 779 46.941 -13.856 4.342 1.00 16.88 C ATOM 2611 C ALA A 779 46.043 -12.816 5.060 1.00 19.92 C ATOM 2612 O ALA A 779 45.932 -12.849 6.295 1.00 20.22 O ATOM 2613 CB ALA A 779 48.309 -13.242 3.986 1.00 17.80 C ATOM 2614 H ALA A 779 46.769 -14.322 2.221 1.00 0.00 H ATOM 2615 N ARG A 780 45.390 -11.902 4.301 1.00 16.29 N ATOM 2616 CA ARG A 780 44.517 -10.888 4.892 1.00 15.90 C ATOM 2617 C ARG A 780 43.253 -11.526 5.517 1.00 18.57 C ATOM 2618 O ARG A 780 42.858 -11.148 6.621 1.00 16.15 O ATOM 2619 CB ARG A 780 44.161 -9.815 3.847 1.00 18.00 C ATOM 2620 CG ARG A 780 43.268 -8.708 4.402 1.00 34.30 C ATOM 2621 CD ARG A 780 43.986 -7.528 5.039 1.00 48.87 C ATOM 2622 NE ARG A 780 43.015 -6.588 5.606 1.00 54.06 N ATOM 2623 CZ ARG A 780 42.920 -6.295 6.900 1.00 69.50 C ATOM 2624 NH1 ARG A 780 43.756 -6.843 7.776 1.00 61.14 N ATOM 2625 NH2 ARG A 780 41.999 -5.440 7.327 1.00 50.28 N ATOM 2626 HE ARG A 780 42.356 -6.118 4.953 1.00 0.00 H ATOM 2627 HH12 ARG A 780 43.677 -6.610 8.786 1.00 0.00 H ATOM 2628 HH11 ARG A 780 44.489 -7.505 7.451 1.00 0.00 H ATOM 2629 HH22 ARG A 780 41.929 -5.214 8.340 1.00 0.00 H ATOM 2630 HH21 ARG A 780 41.348 -4.996 6.649 1.00 0.00 H ATOM 2631 H ARG A 780 45.513 -11.922 3.269 1.00 0.00 H ATOM 2632 N LEU A 781 42.626 -12.509 4.824 1.00 15.62 N ATOM 2633 CA LEU A 781 41.423 -13.183 5.386 1.00 15.05 C ATOM 2634 C LEU A 781 41.791 -13.956 6.664 1.00 19.91 C ATOM 2635 O LEU A 781 41.053 -13.891 7.651 1.00 19.97 O ATOM 2636 CB LEU A 781 40.853 -14.153 4.346 1.00 14.31 C ATOM 2637 CG LEU A 781 40.182 -13.485 3.168 1.00 18.01 C ATOM 2638 CD1 LEU A 781 39.920 -14.511 2.075 1.00 19.04 C ATOM 2639 CD2 LEU A 781 38.889 -12.767 3.601 1.00 17.68 C ATOM 2640 H LEU A 781 42.989 -12.794 3.892 1.00 0.00 H ATOM 2641 N GLN A 782 42.932 -14.666 6.646 1.00 19.05 N ATOM 2642 CA GLN A 782 43.415 -15.412 7.834 1.00 20.81 C ATOM 2643 C GLN A 782 43.619 -14.451 9.011 1.00 24.98 C ATOM 2644 O GLN A 782 43.230 -14.768 10.143 1.00 24.37 O ATOM 2645 CB GLN A 782 44.767 -16.091 7.548 1.00 22.64 C ATOM 2646 CG GLN A 782 44.707 -17.423 6.858 1.00 38.42 C ATOM 2647 CD GLN A 782 46.019 -18.174 7.024 1.00 64.78 C ATOM 2648 OE1 GLN A 782 47.119 -17.637 6.818 1.00 64.09 O ATOM 2649 NE2 GLN A 782 45.937 -19.445 7.394 1.00 51.31 N ATOM 2650 HE22 GLN A 782 45.007 -19.879 7.562 1.00 0.00 H ATOM 2651 HE21 GLN A 782 46.803 -20.008 7.516 1.00 0.00 H ATOM 2652 H GLN A 782 43.494 -14.693 5.771 1.00 0.00 H ATOM 2653 N ALA A 783 44.225 -13.276 8.750 1.00 21.72 N ATOM 2654 CA ALA A 783 44.481 -12.262 9.783 1.00 21.38 C ATOM 2655 C ALA A 783 43.162 -11.754 10.379 1.00 24.12 C ATOM 2656 O ALA A 783 43.050 -11.637 11.601 1.00 24.34 O ATOM 2657 CB ALA A 783 45.300 -11.118 9.211 1.00 21.92 C ATOM 2658 H ALA A 783 44.525 -13.078 7.774 1.00 0.00 H ATOM 2659 N LEU A 784 42.146 -11.512 9.530 1.00 19.35 N ATOM 2660 CA LEU A 784 40.829 -11.060 9.979 1.00 19.25 C ATOM 2661 C LEU A 784 40.142 -12.178 10.764 1.00 22.68 C ATOM 2662 O LEU A 784 39.526 -11.897 11.798 1.00 23.44 O ATOM 2663 CB LEU A 784 39.940 -10.651 8.786 1.00 19.61 C ATOM 2664 CG LEU A 784 40.331 -9.368 8.042 1.00 24.93 C ATOM 2665 CD1 LEU A 784 39.468 -9.209 6.791 1.00 23.91 C ATOM 2666 CD2 LEU A 784 40.189 -8.126 8.937 1.00 26.46 C ATOM 2667 H LEU A 784 42.304 -11.652 8.512 1.00 0.00 H ATOM 2668 N ALA A 785 40.259 -13.439 10.291 1.00 19.68 N ATOM 2669 CA ALA A 785 39.656 -14.585 10.990 1.00 21.37 C ATOM 2670 C ALA A 785 40.310 -14.702 12.392 1.00 27.29 C ATOM 2671 O ALA A 785 39.607 -14.834 13.394 1.00 25.85 O ATOM 2672 CB ALA A 785 39.866 -15.870 10.189 1.00 21.67 C ATOM 2673 H ALA A 785 40.788 -13.603 9.411 1.00 0.00 H ATOM 2674 N GLN A 786 41.651 -14.590 12.455 1.00 26.36 N ATOM 2675 CA GLN A 786 42.388 -14.662 13.726 1.00 27.48 C ATOM 2676 C GLN A 786 41.978 -13.569 14.691 1.00 30.57 C ATOM 2677 O GLN A 786 41.808 -13.852 15.880 1.00 31.53 O ATOM 2678 CB GLN A 786 43.908 -14.631 13.495 1.00 28.94 C ATOM 2679 CG GLN A 786 44.493 -15.978 13.072 1.00 52.31 C ATOM 2680 CD GLN A 786 44.396 -17.044 14.147 1.00 76.69 C ATOM 2681 OE1 GLN A 786 43.773 -18.090 13.950 1.00 72.68 O ATOM 2682 NE2 GLN A 786 45.010 -16.807 15.306 1.00 68.56 N ATOM 2683 HE22 GLN A 786 45.529 -15.917 15.447 1.00 0.00 H ATOM 2684 HE21 GLN A 786 44.970 -17.512 16.069 1.00 0.00 H ATOM 2685 H GLN A 786 42.184 -14.448 11.574 1.00 0.00 H ATOM 2686 N ALA A 787 41.796 -12.331 14.194 1.00 24.57 N ATOM 2687 CA ALA A 787 41.401 -11.195 15.020 1.00 25.68 C ATOM 2688 C ALA A 787 39.982 -11.320 15.605 1.00 29.00 C ATOM 2689 O ALA A 787 39.713 -10.737 16.661 1.00 28.13 O ATOM 2690 CB ALA A 787 41.544 -9.889 14.240 1.00 27.00 C ATOM 2691 H ALA A 787 41.944 -12.178 13.176 1.00 0.00 H ATOM 2692 N HIS A 788 39.093 -12.070 14.926 1.00 24.83 N ATOM 2693 CA HIS A 788 37.708 -12.252 15.351 1.00 24.27 C ATOM 2694 C HIS A 788 37.438 -13.541 16.145 1.00 27.53 C ATOM 2695 O HIS A 788 36.366 -13.661 16.739 1.00 26.67 O ATOM 2696 CB HIS A 788 36.766 -12.159 14.129 1.00 24.70 C ATOM 2697 CG HIS A 788 35.332 -11.950 14.499 1.00 27.60 C ATOM 2698 ND1 HIS A 788 34.899 -10.760 15.065 1.00 29.06 N ATOM 2699 CD2 HIS A 788 34.282 -12.798 14.405 1.00 28.87 C ATOM 2700 CE1 HIS A 788 33.603 -10.921 15.290 1.00 28.29 C ATOM 2701 NE2 HIS A 788 33.186 -12.129 14.906 1.00 28.46 N ATOM 2702 H HIS A 788 39.409 -12.543 14.055 1.00 0.00 H ATOM 2703 N HIS A 789 38.382 -14.507 16.155 1.00 24.35 N ATOM 2704 CA HIS A 789 38.211 -15.796 16.854 1.00 25.15 C ATOM 2705 C HIS A 789 37.662 -15.719 18.270 1.00 24.99 C ATOM 2706 O HIS A 789 36.753 -16.469 18.615 1.00 23.01 O ATOM 2707 CB HIS A 789 39.513 -16.613 16.879 1.00 27.62 C ATOM 2708 CG HIS A 789 39.694 -17.510 15.695 1.00 32.11 C ATOM 2709 ND1 HIS A 789 40.868 -18.224 15.512 1.00 35.11 N ATOM 2710 CD2 HIS A 789 38.850 -17.784 14.669 1.00 33.96 C ATOM 2711 CE1 HIS A 789 40.704 -18.893 14.380 1.00 34.66 C ATOM 2712 NE2 HIS A 789 39.508 -18.651 13.835 1.00 34.51 N ATOM 2713 H HIS A 789 39.272 -14.334 15.646 1.00 0.00 H ATOM 2714 N HIS A 790 38.205 -14.821 19.081 1.00 20.68 N ATOM 2715 CA HIS A 790 37.770 -14.737 20.467 1.00 22.00 C ATOM 2716 C HIS A 790 36.683 -13.701 20.680 1.00 27.76 C ATOM 2717 O HIS A 790 36.268 -13.488 21.806 1.00 26.19 O ATOM 2718 CB HIS A 790 38.983 -14.521 21.387 1.00 22.65 C ATOM 2719 CG HIS A 790 39.969 -15.647 21.324 1.00 26.93 C ATOM 2720 ND1 HIS A 790 39.722 -16.864 21.951 1.00 28.30 N ATOM 2721 CD2 HIS A 790 41.158 -15.720 20.679 1.00 28.94 C ATOM 2722 CE1 HIS A 790 40.766 -17.631 21.675 1.00 28.39 C ATOM 2723 NE2 HIS A 790 41.651 -16.991 20.900 1.00 29.01 N ATOM 2724 H HIS A 790 38.941 -14.177 18.727 1.00 0.00 H ATOM 2725 N HIS A 791 36.194 -13.066 19.596 1.00 27.83 N ATOM 2726 CA HIS A 791 35.162 -12.030 19.716 1.00 53.31 C ATOM 2727 C HIS A 791 33.957 -12.295 18.821 1.00 93.18 C ATOM 2728 O HIS A 791 32.974 -12.878 19.278 1.00 58.13 O ATOM 2729 CB HIS A 791 35.770 -10.640 19.457 1.00 53.89 C ATOM 2730 CG HIS A 791 37.067 -10.420 20.176 1.00 57.06 C ATOM 2731 ND1 HIS A 791 37.100 -10.049 21.514 1.00 58.70 N ATOM 2732 CD2 HIS A 791 38.338 -10.570 19.734 1.00 58.44 C ATOM 2733 CE1 HIS A 791 38.383 -9.966 21.832 1.00 57.79 C ATOM 2734 NE2 HIS A 791 39.167 -10.275 20.797 1.00 58.05 N ATOM 2735 H HIS A 791 36.556 -13.316 18.654 1.00 0.00 H TER 2736 HIS A 791 HETATM 2737 O HOH 1 37.055 -17.314 11.315 1.00 24.02 O HETATM 2738 O HOH 2 15.983 -36.253 11.776 1.00 29.58 O HETATM 2739 O HOH 3 18.890 -32.708 16.025 1.00 15.53 O HETATM 2740 O HOH 4 43.482 -22.232 -22.640 1.00 19.75 O HETATM 2741 O HOH 5 34.464 0.935 -11.372 1.00 23.41 O HETATM 2742 O HOH 6 25.410 -18.709 13.282 1.00 45.81 O HETATM 2743 O HOH 7 32.777 2.226 -18.752 1.00 22.42 O HETATM 2744 O HOH 8 37.015 -15.420 13.219 1.00 29.82 O HETATM 2745 O HOH 9 36.612 -25.452 -14.479 1.00 33.88 O HETATM 2746 O HOH 10 38.438 -2.528 -7.528 1.00 29.33 O HETATM 2747 O HOH 11 26.077 -7.414 -23.538 1.00 35.99 O HETATM 2748 O HOH 12 25.682 -33.316 9.864 1.00 39.40 O HETATM 2749 O HOH 13 35.810 -2.510 -7.838 1.00 34.65 O HETATM 2750 O HOH 14 42.118 -3.245 -1.709 1.00 23.63 O HETATM 2751 O HOH 15 27.113 -1.310 -8.487 1.00 36.98 O HETATM 2752 O HOH 16 19.825 -47.329 -1.401 1.00 32.89 O HETATM 2753 O HOH 17 47.110 -2.978 -7.140 1.00 35.78 O HETATM 2754 O HOH 18 26.901 0.269 -22.377 1.00 46.03 O HETATM 2755 O HOH 19 44.855 -0.651 -10.274 1.00 16.18 O HETATM 2756 O HOH 20 19.166 -25.537 9.194 1.00 37.66 O HETATM 2757 O HOH 21 47.787 -14.120 7.852 1.00 35.37 O HETATM 2758 O HOH 22 40.538 -6.421 -17.779 1.00 20.25 O HETATM 2759 O HOH 23 19.673 -23.094 -13.130 1.00 32.57 O HETATM 2760 O HOH 24 23.491 -20.343 14.642 1.00 52.01 O HETATM 2761 O HOH 25 36.444 0.213 -6.357 1.00 44.12 O HETATM 2762 O HOH 26 47.347 -2.655 -18.866 1.00 24.45 O HETATM 2763 O HOH 27 38.563 -29.029 -13.141 1.00 58.22 O HETATM 2764 O HOH 28 34.303 -18.824 -27.756 1.00 39.58 O HETATM 2765 O HOH 29 35.763 -0.947 1.942 1.00 23.23 O HETATM 2766 O HOH 30 20.685 -26.065 18.631 1.00 25.15 O HETATM 2767 O HOH 31 38.638 -19.521 11.344 1.00 34.27 O HETATM 2768 O HOH 32 21.783 -23.214 -4.281 1.00 29.71 O HETATM 2769 O HOH 33 21.944 -37.231 -0.346 1.00 37.52 O HETATM 2770 O HOH 34 23.723 -27.845 6.239 1.00 38.92 O HETATM 2771 O HOH 35 38.803 -26.737 7.906 1.00 33.18 O HETATM 2772 O HOH 36 18.308 -29.478 -4.890 1.00 44.75 O HETATM 2773 O HOH 37 43.163 -18.509 -21.891 1.00 20.91 O HETATM 2774 O HOH 38 46.455 -5.176 -18.641 1.00 28.45 O HETATM 2775 O HOH 39 21.176 -25.529 11.041 1.00 40.06 O HETATM 2776 O HOH 40 29.538 -27.625 8.345 1.00 26.46 O HETATM 2777 O HOH 41 17.678 -18.602 1.207 1.00 38.42 O HETATM 2778 O HOH 42 30.088 -6.292 -23.302 1.00 44.70 O HETATM 2779 O HOH 43 40.975 -30.894 5.073 1.00 44.52 O HETATM 2780 O HOH 44 40.563 -1.242 -20.030 1.00 22.44 O HETATM 2781 O HOH 45 48.033 -17.741 -15.395 1.00 22.26 O HETATM 2782 O HOH 46 44.078 -1.761 -12.876 1.00 15.63 O HETATM 2783 O HOH 47 35.929 -22.753 -19.451 1.00 45.11 O HETATM 2784 O HOH 48 25.699 -21.549 12.804 1.00 25.33 O HETATM 2785 O HOH 49 23.813 -1.878 -10.943 1.00 34.72 O HETATM 2786 O HOH 50 35.228 -2.837 -10.971 1.00 36.26 O HETATM 2787 O HOH 51 30.599 -16.825 13.619 1.00 22.92 O HETATM 2788 O HOH 52 21.220 -49.531 -2.131 1.00 54.42 O HETATM 2789 O HOH 53 26.352 -0.952 -18.232 1.00 56.24 O HETATM 2790 O HOH 54 49.173 -20.289 -15.186 1.00 38.82 O HETATM 2791 O HOH 55 42.576 -5.139 1.016 1.00 35.80 O HETATM 2792 O HOH 56 39.195 -1.485 5.761 1.00 41.74 O HETATM 2793 O HOH 57 37.771 0.000 3.992 1.00 38.92 O HETATM 2794 O HOH 58 47.201 -14.674 10.439 1.00 41.98 O HETATM 2795 O HOH 59 38.863 -0.964 -9.817 1.00 42.50 O HETATM 2796 O HOH 60 26.056 -9.594 -25.146 1.00 41.26 O HETATM 2797 O HOH 61 39.946 -20.300 8.936 1.00 45.04 O HETATM 2798 O HOH 62 26.972 -0.271 -5.647 1.00 45.64 O HETATM 2799 O HOH 63 21.094 -21.197 -8.918 1.00 51.49 O HETATM 2800 O HOH 64 24.828 -2.735 -8.597 1.00 40.69 O HETATM 2801 O HOH 65 32.479 -10.760 -12.800 1.00 11.88 O HETATM 2802 O HOH 66 33.001 -19.176 -12.243 1.00 14.22 O HETATM 2803 O HOH 67 35.148 -18.000 -14.019 1.00 16.76 O HETATM 2804 O HOH 68 27.830 -20.271 -7.246 1.00 13.68 O HETATM 2805 O HOH 69 37.498 -18.994 -11.941 1.00 15.06 O HETATM 2806 O HOH 70 39.710 -17.896 -14.459 1.00 14.28 O HETATM 2807 O HOH 71 36.854 -3.524 -14.714 1.00 18.00 O HETATM 2808 O HOH 72 24.390 -16.301 -15.940 1.00 21.35 O HETATM 2809 O HOH 73 27.138 -16.183 -15.149 1.00 20.02 O HETATM 2810 O HOH 74 37.325 -16.282 -14.187 1.00 14.19 O HETATM 2811 O HOH 75 46.775 -14.879 -7.569 1.00 19.91 O HETATM 2812 O HOH 76 34.291 -4.778 -14.202 1.00 21.41 O HETATM 2813 O HOH 77 25.137 -20.649 -7.778 1.00 20.56 O HETATM 2814 O HOH 78 24.741 -9.544 3.281 1.00 17.76 O HETATM 2815 O HOH 79 44.667 -20.218 -10.303 1.00 19.71 O HETATM 2816 O HOH 80 43.050 -13.232 -17.405 1.00 19.06 O HETATM 2817 O HOH 81 25.765 -17.177 -6.439 1.00 19.48 O HETATM 2818 O HOH 82 25.541 -5.307 -6.884 1.00 24.89 O HETATM 2819 O HOH 83 42.888 -33.269 -2.208 1.00 22.03 O HETATM 2820 O HOH 84 44.503 -19.308 -7.730 1.00 19.02 O HETATM 2821 O HOH 85 22.288 -18.780 -9.373 1.00 25.23 O HETATM 2822 O HOH 86 51.077 -25.103 -4.879 1.00 26.23 O HETATM 2823 O HOH 87 45.313 -11.833 -18.101 1.00 20.87 O HETATM 2824 O HOH 88 44.732 -16.637 -8.221 1.00 20.67 O HETATM 2825 O HOH 89 41.561 -32.868 1.050 1.00 25.41 O HETATM 2826 O HOH 90 31.643 -8.314 -11.472 1.00 20.91 O HETATM 2827 O HOH 91 24.188 -7.712 -7.776 1.00 18.56 O HETATM 2828 O HOH 92 16.840 -17.135 10.432 1.00 34.41 O HETATM 2829 O HOH 93 49.114 -8.654 -3.802 1.00 30.74 O HETATM 2830 O HOH 94 20.365 -11.867 -21.790 1.00 25.01 O HETATM 2831 O HOH 95 28.256 -11.908 12.975 1.00 31.56 O HETATM 2832 O HOH 96 32.394 -6.746 -9.107 1.00 19.85 O HETATM 2833 O HOH 97 28.239 -0.648 -2.144 1.00 27.06 O HETATM 2834 O HOH 98 48.820 -16.702 2.270 1.00 28.72 O HETATM 2835 O HOH 99 34.414 -39.789 2.089 1.00 32.93 O HETATM 2836 O HOH 100 41.170 -5.138 3.977 1.00 26.06 O HETATM 2837 O HOH 101 40.213 -13.036 18.562 1.00 32.86 O HETATM 2838 O HOH 102 19.433 -13.572 -18.835 1.00 34.05 O HETATM 2839 O HOH 103 42.985 -21.150 5.861 1.00 35.66 O HETATM 2840 O HOH 104 24.661 -27.574 0.399 1.00 28.42 O HETATM 2841 O HOH 105 46.332 -12.183 -8.867 1.00 25.63 O HETATM 2842 O HOH 106 34.159 -5.257 -10.412 1.00 25.79 O HETATM 2843 O HOH 107 34.782 -21.514 -17.359 1.00 23.62 O HETATM 2844 O HOH 108 49.634 -16.074 -4.982 1.00 24.45 O HETATM 2845 O HOH 109 23.547 -18.546 -6.900 1.00 31.00 O HETATM 2846 O HOH 110 23.484 -7.477 1.064 1.00 32.36 O HETATM 2847 O HOH 111 31.437 -34.705 5.235 1.00 39.89 O HETATM 2848 O HOH 112 21.908 -18.014 -17.962 1.00 33.13 O HETATM 2849 O HOH 113 44.277 -42.049 -8.035 1.00 33.60 O HETATM 2850 O HOH 114 47.355 -23.100 0.509 1.00 28.48 O HETATM 2851 O HOH 115 47.358 -12.209 -16.367 1.00 24.73 O HETATM 2852 O HOH 116 22.853 -18.499 -22.845 1.00 37.55 O HETATM 2853 O HOH 117 47.910 -9.807 -10.325 1.00 28.92 O HETATM 2854 O HOH 118 50.744 -37.042 -9.579 1.00 43.75 O HETATM 2855 O HOH 119 13.820 -16.953 9.201 1.00 41.81 O HETATM 2856 O HOH 120 32.638 -6.147 -12.708 1.00 35.80 O HETATM 2857 O HOH 121 50.171 -19.416 -4.726 1.00 33.05 O HETATM 2858 O HOH 122 20.469 -16.346 0.749 1.00 34.04 O HETATM 2859 O HOH 123 52.283 -12.274 -3.480 1.00 39.39 O HETATM 2860 O HOH 124 20.926 -22.682 9.857 1.00 35.20 O HETATM 2861 O HOH 125 31.578 -44.681 -19.182 1.00 50.85 O HETATM 2862 O HOH 126 18.949 -19.475 5.108 1.00 30.05 O HETATM 2863 O HOH 127 43.282 -40.358 0.556 1.00 70.00 O HETATM 2864 O HOH 128 23.901 -21.582 10.775 1.00 42.69 O HETATM 2865 O HOH 129 38.338 -43.120 -26.695 1.00 55.43 O HETATM 2866 O HOH 130 27.578 -27.270 -9.171 1.00 42.83 O HETATM 2867 O HOH 131 24.649 -29.847 -10.446 1.00 56.94 O HETATM 2868 O HOH 132 49.406 -15.489 -15.007 1.00 31.05 O HETATM 2869 O HOH 133 19.242 -13.078 -12.678 1.00 50.60 O HETATM 2870 O HOH 134 25.256 -29.328 -6.056 1.00 32.84 O HETATM 2871 O HOH 135 19.225 -15.125 -8.817 1.00 40.75 O HETATM 2872 O HOH 136 24.761 -29.717 -3.125 1.00 41.01 O HETATM 2873 O HOH 137 33.407 0.370 2.304 1.00 29.88 O HETATM 2874 O HOH 138 49.699 -6.929 -7.688 1.00 52.64 O HETATM 2875 O HOH 139 44.504 -36.967 -5.219 1.00 45.05 O HETATM 2876 O HOH 140 22.565 -10.332 4.669 1.00 31.79 O HETATM 2877 O HOH 141 49.604 -24.169 -0.652 1.00 34.21 O HETATM 2878 O HOH 142 41.527 -2.414 4.401 1.00 34.51 O HETATM 2879 O HOH 143 43.944 -7.967 0.210 1.00 47.50 O HETATM 2880 O HOH 144 29.050 -10.435 8.948 1.00 32.45 O HETATM 2881 O HOH 145 18.090 -23.677 7.422 1.00 31.13 O HETATM 2882 O HOH 146 20.476 -15.876 -14.612 1.00 44.81 O HETATM 2883 O HOH 147 38.803 -51.823 -4.810 1.00 54.29 O HETATM 2884 O HOH 148 44.114 -34.787 -0.349 1.00 45.26 O HETATM 2885 O HOH 149 40.005 -33.715 -6.636 1.00 48.75 O HETATM 2886 O HOH 150 21.867 -11.595 1.556 1.00 51.99 O HETATM 2887 O HOH 151 49.291 -30.187 -0.519 1.00 46.18 O HETATM 2888 O HOH 152 19.875 -17.541 -9.925 1.00 37.93 O HETATM 2889 O HOH 153 42.523 -8.101 -2.472 1.00 39.14 O HETATM 2890 O HOH 154 23.267 -27.242 2.795 1.00 47.12 O HETATM 2891 O HOH 155 44.203 -36.422 -2.572 1.00 52.81 O HETATM 2892 O HOH 156 51.631 -22.188 -3.159 1.00 53.35 O HETATM 2893 O HOH 157 49.369 -15.505 -7.596 1.00 31.67 O HETATM 2894 O HOH 158 28.921 -25.758 -24.496 1.00 53.83 O HETATM 2895 O HOH 159 42.291 -34.546 -4.583 1.00 43.97 O HETATM 2896 O HOH 160 23.098 -12.286 8.965 1.00 47.75 O HETATM 2897 O HOH 161 37.670 -2.898 -12.218 1.00 30.57 O HETATM 2898 O HOH 162 17.109 -6.494 -15.527 1.00 42.05 O HETATM 2899 O HOH 163 51.051 -30.725 -5.156 1.00 48.15 O HETATM 2900 O HOH 164 46.297 -8.022 7.588 1.00 46.25 O HETATM 2901 O HOH 165 25.771 -1.665 1.437 1.00 58.69 O HETATM 2902 O HOH 166 50.726 -10.830 2.991 1.00 45.89 O HETATM 2903 O HOH 167 30.316 -39.100 -20.774 1.00 61.36 O HETATM 2904 O HOH 168 31.375 -14.160 14.421 1.00 25.66 O HETATM 2905 O HOH 169 23.344 -5.326 -5.358 1.00 37.25 O HETATM 2906 O HOH 170 32.902 -26.242 -14.483 1.00 40.40 O HETATM 2907 O HOH 171 35.426 -34.445 -12.080 1.00 60.95 O HETATM 2908 C2 UNN A 172 31.422 -34.656 -9.874 1.00 -0.03 C HETATM 2909 C3 UNN A 172 31.812 -35.616 -8.792 1.00 -0.03 C HETATM 2910 C1 UNN A 172 32.666 -34.429 -9.083 1.00 0.05 C HETATM 2911 N UNN A 172 32.710 -33.302 -8.119 1.00 -0.24 N HETATM 2912 C UNN A 172 33.869 -32.517 -8.085 1.00 0.29 C HETATM 2913 O1 UNN A 172 33.924 -31.513 -7.388 1.00 -0.39 O HETATM 2914 N2 UNN A 172 34.916 -32.931 -8.854 1.00 -0.23 N HETATM 2915 C14 UNN A 172 36.197 -32.318 -8.911 1.00 0.06 C HETATM 2916 C15 UNN A 172 36.915 -32.135 -7.733 1.00 -0.05 C HETATM 2917 C16 UNN A 172 38.130 -31.470 -7.744 1.00 -0.05 C HETATM 2918 C17 UNN A 172 38.639 -30.983 -8.938 1.00 0.09 C HETATM 2919 C19 UNN A 172 37.943 -31.184 -10.126 1.00 -0.05 C HETATM 2920 C20 UNN A 172 36.729 -31.853 -10.110 1.00 -0.05 C HETATM 2921 H UNN A 172 36.191 -32.015 -11.037 1.00 0.05 H HETATM 2922 H UNN A 172 38.349 -30.818 -11.062 1.00 0.05 H HETATM 2923 O UNN A 172 39.863 -30.280 -8.880 1.00 -0.24 O HETATM 2924 C18 UNN A 172 39.826 -28.936 -8.845 1.00 0.54 C HETATM 2925 F2 UNN A 172 39.355 -28.412 -9.959 1.00 -0.14 F HETATM 2926 F1 UNN A 172 39.092 -28.478 -7.845 1.00 -0.14 F HETATM 2927 F UNN A 172 41.026 -28.422 -8.686 1.00 -0.14 F HETATM 2928 H UNN A 172 38.681 -31.331 -6.821 1.00 0.05 H HETATM 2929 H UNN A 172 36.520 -32.516 -6.798 1.00 0.05 H HETATM 2930 H UNN A 172 34.770 -33.736 -9.428 1.00 0.22 H HETATM 2931 C4 UNN A 172 31.585 -32.956 -7.241 1.00 0.07 C HETATM 2932 C5 UNN A 172 31.545 -33.688 -5.917 1.00 -0.02 C HETATM 2933 C13 UNN A 172 32.681 -34.284 -5.379 1.00 -0.06 C HETATM 2934 C12 UNN A 172 32.663 -34.823 -4.101 1.00 -0.06 C HETATM 2935 C11 UNN A 172 31.503 -34.779 -3.345 1.00 -0.05 C HETATM 2936 C7 UNN A 172 30.342 -34.218 -3.878 1.00 0.01 C HETATM 2937 C6 UNN A 172 30.371 -33.684 -5.165 1.00 -0.04 C HETATM 2938 H UNN A 172 29.468 -33.259 -5.588 1.00 0.06 H HETATM 2939 C8 UNN A 172 29.090 -34.185 -3.098 1.00 0.11 C HETATM 2940 S UNN A 172 27.620 -33.572 -3.779 1.00 -0.01 S HETATM 2941 C10 UNN A 172 26.832 -33.882 -2.303 1.00 0.01 C HETATM 2942 C9 UNN A 172 27.692 -34.409 -1.421 1.00 -0.01 C HETATM 2943 N1 UNN A 172 28.984 -34.588 -1.863 1.00 -0.31 N HETATM 2944 H UNN A 172 27.387 -34.681 -0.412 1.00 0.06 H HETATM 2945 H UNN A 172 25.780 -33.681 -2.104 1.00 0.08 H HETATM 2946 H UNN A 172 31.497 -35.181 -2.338 1.00 0.06 H HETATM 2947 H UNN A 172 33.558 -35.279 -3.693 1.00 0.06 H HETATM 2948 H UNN A 172 33.592 -34.328 -5.966 1.00 0.06 H HETATM 2949 H UNN A 172 31.638 -31.878 -7.031 1.00 0.07 H HETATM 2950 H UNN A 172 30.653 -33.179 -7.780 1.00 0.07 H HETATM 2951 H UNN A 172 33.653 -34.560 -9.550 1.00 0.06 H HETATM 2952 H UNN A 172 32.165 -36.625 -9.052 1.00 0.03 H HETATM 2953 H UNN A 172 31.230 -35.660 -7.859 1.00 0.03 H HETATM 2954 H UNN A 172 30.554 -33.995 -9.736 1.00 0.03 H HETATM 2955 H UNN A 172 31.488 -34.959 -10.929 1.00 0.03 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 325 326 330 331 332 CONECT 330 325 CONECT 331 325 CONECT 332 325 CONECT 415 416 422 423 424 CONECT 422 415 CONECT 423 415 CONECT 424 415 CONECT 1554 1555 1562 1563 1564 CONECT 1562 1554 CONECT 1563 1554 CONECT 1564 1554 CONECT 1664 1665 1672 1673 1674 CONECT 1672 1664 CONECT 1673 1664 CONECT 1674 1664 CONECT 2908 2909 2910 2954 2955 CONECT 2909 2908 2910 2952 2953 CONECT 2910 2908 2909 2911 2951 CONECT 2911 2910 2912 2931 CONECT 2912 2911 2913 2914 CONECT 2913 2912 CONECT 2914 2912 2915 2930 CONECT 2915 2914 2916 2920 CONECT 2916 2915 2917 2929 CONECT 2917 2916 2918 2928 CONECT 2918 2917 2919 2923 CONECT 2919 2918 2920 2922 CONECT 2920 2915 2919 2921 CONECT 2921 2920 CONECT 2922 2919 CONECT 2923 2918 2924 CONECT 2924 2923 2925 2926 2927 CONECT 2925 2924 CONECT 2926 2924 CONECT 2927 2924 CONECT 2928 2917 CONECT 2929 2916 CONECT 2930 2914 CONECT 2931 2911 2932 2949 2950 CONECT 2932 2931 2933 2937 CONECT 2933 2932 2934 2948 CONECT 2934 2933 2935 2947 CONECT 2935 2934 2936 2946 CONECT 2936 2935 2937 2939 CONECT 2937 2932 2936 2938 CONECT 2938 2937 CONECT 2939 2936 2940 2943 CONECT 2940 2939 2941 CONECT 2941 2940 2942 2945 CONECT 2942 2941 2943 2944 CONECT 2943 2939 2942 CONECT 2944 2942 CONECT 2945 2941 CONECT 2946 2935 CONECT 2947 2934 CONECT 2948 2933 CONECT 2949 2931 CONECT 2950 2931 CONECT 2951 2910 CONECT 2952 2909 CONECT 2953 2909 CONECT 2954 2908 CONECT 2955 2908 MASTER 0 0 0 0 0 0 0 0 2950 5 68 24 END
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4pmp
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
High affinity nerve growth factor receptor TrkA
Ligand Name
31W
EC.Number
E.C.2.7.10.1
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd~400nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Med.Chem. Vol. 57: pp. 5800-5816
Ligand Properties
Formula
C
2
1
H
1
8
F
3
N
3
O
2
S
Molecular Weight
433.447
Exact Mass
433.107
No. of atoms
48
No. of bonds
51
Polar Surface Area
82.7
LOGP Value
5.03 (
Computed with XLOGP3
)
5.98 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
O=C(N(C1CC1)Cc1cccc(c1)c1nccs1)Nc1ccc(cc1)OC(F)(F)F
InChI String
InChI=1S/C21H18F3N3O2S/c22-21(23,24)29-18-8-4-16(5-9-18)26-20(28)27(17-6-7-17)13-14-2-1-3-15(12-14)19-25-10-11-30-19/h1-5,8-12,17H,6-7,13H2,(H,26,28)
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):
P04629
Entrez Gene ID
NCBI Entrez Gene ID:
4914
ASD
Information of known allosteric effects of PDB entries
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