Browse entries in the PDBbind-CN Database
HEADER 5WFW_COMPLEX COMPND 5WFW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 180 ARG GLY SER HIS MET GLU ASP PHE VAL ARG GLN CYS PHE SEQRES 2 A 180 ASN PRO MET ILE VAL GLU LEU ALA GLU LYS ALA MET LYS SEQRES 3 A 180 GLU TYR GLY GLU ASP PRO LYS ILE GLU THR ASN LYS PHE SEQRES 4 A 180 ALA ALA ILE CYS THR HIS LEU GLU VAL CYS PHE MET TYR SEQRES 5 A 180 SER ASP GLY GLY SER LYS HIS ARG PHE GLU ILE ILE GLU SEQRES 6 A 180 GLY ARG ASP ARG ILE MET ALA TRP THR VAL VAL ASN SER SEQRES 7 A 180 ILE CYS ASN THR THR GLY VAL GLU LYS PRO LYS PHE LEU SEQRES 8 A 180 PRO ASP LEU TYR ASP TYR LYS GLU ASN ARG PHE ILE ASP SEQRES 9 A 180 ILE GLY VAL THR ARG ARG GLU VAL HIS ILE TYR TYR LEU SEQRES 10 A 180 GLU LYS ALA ASN LYS ILE LYS SER GLU LYS THR HIS ILE SEQRES 11 A 180 HIS ILE PHE SER PHE THR GLY GLU GLU MET ALA THR LYS SEQRES 12 A 180 ALA ASP TYR THR LEU ASP GLU GLU SER ARG ALA ARG ILE SEQRES 13 A 180 LYS THR ARG LEU PHE THR ILE ARG GLN GLU MET ALA SER SEQRES 14 A 180 ARG SER LEU TRP ASP SER PHE ARG GLN SER GLU HET MN A 1 1 HET MN A 2 1 HET GYA A 200 69 ATOM 1 N ARG A -3 389.964 103.868 528.475 1.00105.49 N ATOM 2 CA ARG A -3 388.809 103.662 529.342 1.00105.04 C ATOM 3 C ARG A -3 388.782 104.691 530.468 1.00100.89 C ATOM 4 O ARG A -3 388.765 104.332 531.645 1.00102.93 O ATOM 5 CB ARG A -3 388.819 102.246 529.921 1.00104.15 C ATOM 6 HN3 ARG A -3 390.836 103.776 529.034 1.00 0.00 H ATOM 7 HN2 ARG A -3 389.917 104.819 528.058 1.00 0.00 H ATOM 8 HN1 ARG A -3 389.959 103.155 527.718 1.00 0.00 H ATOM 9 N GLY A -2 388.774 105.970 530.095 1.00100.04 N ATOM 10 CA GLY A -2 388.810 107.058 531.054 1.00101.30 C ATOM 11 C GLY A -2 387.627 107.088 532.001 1.00102.16 C ATOM 12 O GLY A -2 386.471 107.070 531.568 1.00107.03 O ATOM 13 H GLY A -2 388.741 106.196 529.080 1.00 0.00 H ATOM 14 N SER A -1 387.907 107.145 533.297 1.00 96.15 N ATOM 15 CA SER A -1 386.882 107.103 534.328 1.00 90.32 C ATOM 16 C SER A -1 386.513 108.507 534.792 1.00 82.51 C ATOM 17 O SER A -1 387.239 109.478 534.566 1.00 75.03 O ATOM 18 CB SER A -1 387.357 106.273 535.523 1.00 89.09 C ATOM 19 OG SER A -1 388.525 106.840 536.090 1.00 85.46 O ATOM 20 HG SER A -1 388.817 106.291 536.860 1.00 0.00 H ATOM 21 H SER A -1 388.902 107.223 533.588 1.00 0.00 H ATOM 22 N HIS A 0 385.355 108.598 535.452 1.00 87.37 N ATOM 23 CA HIS A 0 384.949 109.855 536.073 1.00 84.72 C ATOM 24 C HIS A 0 385.905 110.242 537.193 1.00 80.37 C ATOM 25 O HIS A 0 386.180 111.429 537.405 1.00 76.42 O ATOM 26 CB HIS A 0 383.518 109.733 536.601 1.00 85.12 C ATOM 27 CG HIS A 0 382.906 111.032 537.031 1.00 82.63 C ATOM 28 ND1 HIS A 0 383.641 112.186 537.210 1.00 79.24 N ATOM 29 CD2 HIS A 0 381.625 111.355 537.328 1.00 79.59 C ATOM 30 CE1 HIS A 0 382.838 113.163 537.591 1.00 76.24 C ATOM 31 NE2 HIS A 0 381.609 112.685 537.671 1.00 78.14 N ATOM 32 H HIS A 0 384.737 107.765 535.524 1.00 0.00 H ATOM 33 N MET A 1 386.423 109.249 537.920 1.00 80.83 N ATOM 34 CA MET A 1 387.318 109.532 539.037 1.00 74.53 C ATOM 35 C MET A 1 388.609 110.184 538.561 1.00 71.71 C ATOM 36 O MET A 1 389.148 111.074 539.230 1.00 70.75 O ATOM 37 CB MET A 1 387.617 108.244 539.804 1.00 70.76 C ATOM 38 CG MET A 1 388.616 108.410 540.933 1.00 71.83 C ATOM 39 SD MET A 1 388.080 109.640 542.135 1.00 72.67 S ATOM 40 CE MET A 1 387.266 108.596 543.346 1.00 68.74 C ATOM 41 H MET A 1 386.186 108.263 537.688 1.00 0.00 H ATOM 42 N GLU A 2 389.115 109.762 537.400 1.00 76.00 N ATOM 43 CA GLU A 2 390.375 110.303 536.899 1.00 72.24 C ATOM 44 C GLU A 2 390.254 111.786 536.571 1.00 70.71 C ATOM 45 O GLU A 2 391.140 112.580 536.911 1.00 67.95 O ATOM 46 CB GLU A 2 390.828 109.520 535.669 1.00 68.24 C ATOM 47 CG GLU A 2 392.322 109.582 535.415 1.00 70.58 C ATOM 48 CD GLU A 2 392.667 109.351 533.958 1.00 80.92 C ATOM 49 OE1 GLU A 2 391.940 108.586 533.291 1.00 85.52 O ATOM 50 OE2 GLU A 2 393.662 109.936 533.482 1.00 80.30 O ATOM 51 H GLU A 2 388.607 109.042 536.848 1.00 0.00 H ATOM 52 N ASP A 3 389.164 112.181 535.906 1.00 70.01 N ATOM 53 CA ASP A 3 388.985 113.588 535.566 1.00 70.32 C ATOM 54 C ASP A 3 388.711 114.438 536.802 1.00 73.50 C ATOM 55 O ASP A 3 389.113 115.607 536.848 1.00 69.61 O ATOM 56 CB ASP A 3 387.857 113.741 534.544 1.00 70.92 C ATOM 57 CG ASP A 3 388.200 113.123 533.195 1.00 74.74 C ATOM 58 OD1 ASP A 3 389.400 112.908 532.918 1.00 68.63 O ATOM 59 OD2 ASP A 3 387.267 112.857 532.408 1.00 73.85 O ATOM 60 H ASP A 3 388.443 111.484 535.631 1.00 0.00 H ATOM 61 N PHE A 4 388.035 113.878 537.810 1.00 72.89 N ATOM 62 CA PHE A 4 387.823 114.622 539.047 1.00 70.52 C ATOM 63 C PHE A 4 389.138 114.866 539.774 1.00 63.90 C ATOM 64 O PHE A 4 389.387 115.976 540.259 1.00 62.20 O ATOM 65 CB PHE A 4 386.854 113.880 539.968 1.00 71.98 C ATOM 66 CG PHE A 4 386.940 114.320 541.406 1.00 67.92 C ATOM 67 CD1 PHE A 4 386.378 115.521 541.810 1.00 67.95 C ATOM 68 CD2 PHE A 4 387.601 113.546 542.347 1.00 65.12 C ATOM 69 CE1 PHE A 4 386.462 115.937 543.126 1.00 63.97 C ATOM 70 CE2 PHE A 4 387.691 113.959 543.665 1.00 69.52 C ATOM 71 CZ PHE A 4 387.120 115.156 544.054 1.00 64.78 C ATOM 72 H PHE A 4 387.660 112.913 537.713 1.00 0.00 H ATOM 73 N VAL A 5 389.977 113.831 539.878 1.00 62.71 N ATOM 74 CA VAL A 5 391.271 113.972 540.540 1.00 62.24 C ATOM 75 C VAL A 5 392.059 115.105 539.914 1.00 63.22 C ATOM 76 O VAL A 5 392.685 115.913 540.612 1.00 59.43 O ATOM 77 CB VAL A 5 392.056 112.651 540.471 1.00 63.31 C ATOM 78 CG1 VAL A 5 393.542 112.897 540.739 1.00 61.72 C ATOM 79 CG2 VAL A 5 391.488 111.660 541.447 1.00 64.94 C ATOM 80 H VAL A 5 389.704 112.910 539.481 1.00 0.00 H ATOM 81 N ARG A 6 392.017 115.206 538.589 1.00 63.80 N ATOM 82 CA ARG A 6 392.829 116.215 537.928 1.00 64.38 C ATOM 83 C ARG A 6 392.288 117.637 538.157 1.00 69.83 C ATOM 84 O ARG A 6 393.072 118.545 538.428 1.00 76.34 O ATOM 85 CB ARG A 6 392.973 115.877 536.446 1.00 69.03 C ATOM 86 CG ARG A 6 393.714 114.572 536.174 1.00 65.78 C ATOM 87 CD ARG A 6 393.845 114.275 534.680 1.00 70.31 C ATOM 88 NE ARG A 6 394.530 113.001 534.537 1.00 71.42 N ATOM 89 CZ ARG A 6 395.842 112.855 534.683 1.00 70.28 C ATOM 90 NH1 ARG A 6 396.605 113.913 534.932 1.00 67.95 N ATOM 91 NH2 ARG A 6 396.396 111.656 534.575 1.00 68.69 N ATOM 92 HE ARG A 6 393.963 112.160 534.308 1.00 0.00 H ATOM 93 HH12 ARG A 6 397.632 113.798 535.046 1.00 0.00 H ATOM 94 HH11 ARG A 6 396.175 114.857 535.013 1.00 0.00 H ATOM 95 HH22 ARG A 6 397.424 111.546 534.690 1.00 0.00 H ATOM 96 HH21 ARG A 6 395.803 110.825 534.375 1.00 0.00 H ATOM 97 H ARG A 6 391.411 114.571 538.032 1.00 0.00 H ATOM 98 N GLN A 7 390.972 117.888 538.058 1.00 74.46 N ATOM 99 CA GLN A 7 390.523 119.256 538.417 1.00 77.40 C ATOM 100 C GLN A 7 390.283 119.511 539.908 1.00 77.51 C ATOM 101 O GLN A 7 389.782 120.589 540.230 1.00 85.97 O ATOM 102 CB GLN A 7 389.207 119.704 537.743 1.00 79.90 C ATOM 103 CG GLN A 7 389.107 119.882 536.244 1.00 96.62 C ATOM 104 CD GLN A 7 389.883 121.077 535.638 1.00110.33 C ATOM 105 OE1 GLN A 7 390.533 120.924 534.590 1.00119.57 O ATOM 106 NE2 GLN A 7 389.749 122.255 536.223 1.00111.93 N ATOM 107 HE22 GLN A 7 389.196 122.340 537.100 1.00 0.00 H ATOM 108 HE21 GLN A 7 390.196 123.096 535.806 1.00 0.00 H ATOM 109 H GLN A 7 390.300 117.159 537.745 1.00 0.00 H ATOM 110 N CYS A 8 390.550 118.561 540.818 1.00 76.14 N ATOM 111 CA CYS A 8 390.510 118.797 542.278 1.00 72.10 C ATOM 112 C CYS A 8 391.876 119.097 542.907 1.00 69.17 C ATOM 113 O CYS A 8 391.959 119.948 543.798 1.00 71.41 O ATOM 114 CB CYS A 8 389.890 117.605 543.042 1.00 71.51 C ATOM 115 SG CYS A 8 389.744 117.795 544.860 1.00 75.01 S ATOM 116 H CYS A 8 390.798 117.610 540.479 1.00 0.00 H ATOM 117 N PHE A 9 392.943 118.395 542.518 1.00 61.90 N ATOM 118 CA PHE A 9 394.281 118.608 543.063 1.00 53.28 C ATOM 119 C PHE A 9 395.123 119.425 542.088 1.00 59.96 C ATOM 120 O PHE A 9 394.859 119.437 540.885 1.00 56.94 O ATOM 121 CB PHE A 9 394.972 117.272 543.362 1.00 51.11 C ATOM 122 CG PHE A 9 394.243 116.434 544.371 1.00 54.27 C ATOM 123 CD1 PHE A 9 394.516 116.563 545.718 1.00 49.11 C ATOM 124 CD2 PHE A 9 393.259 115.541 543.973 1.00 55.54 C ATOM 125 CE1 PHE A 9 393.838 115.805 546.655 1.00 47.94 C ATOM 126 CE2 PHE A 9 392.575 114.783 544.903 1.00 53.10 C ATOM 127 CZ PHE A 9 392.866 114.914 546.247 1.00 49.44 C ATOM 128 H PHE A 9 392.815 117.661 541.792 1.00 0.00 H ATOM 129 N ASN A 10 396.136 120.120 542.615 1.00 59.60 N ATOM 130 CA ASN A 10 396.943 120.996 541.778 1.00 66.38 C ATOM 131 C ASN A 10 397.881 120.172 540.893 1.00 68.11 C ATOM 132 O ASN A 10 398.211 119.029 541.220 1.00 62.21 O ATOM 133 CB ASN A 10 397.719 121.997 542.642 1.00 70.50 C ATOM 134 CG ASN A 10 398.884 121.368 543.388 1.00 79.98 C ATOM 135 OD1 ASN A 10 399.857 120.910 542.787 1.00 78.05 O ATOM 136 ND2 ASN A 10 398.798 121.368 544.713 1.00 85.80 N ATOM 137 HD22 ASN A 10 397.958 121.765 545.180 1.00 0.00 H ATOM 138 HD21 ASN A 10 399.571 120.971 545.284 1.00 0.00 H ATOM 139 H ASN A 10 396.349 120.034 543.629 1.00 0.00 H ATOM 140 N PRO A 11 398.314 120.731 539.757 1.00 62.50 N ATOM 141 CA PRO A 11 399.112 119.937 538.804 1.00 59.57 C ATOM 142 C PRO A 11 400.381 119.344 539.393 1.00 59.34 C ATOM 143 O PRO A 11 400.771 118.237 539.000 1.00 63.54 O ATOM 144 CB PRO A 11 399.432 120.946 537.692 1.00 58.70 C ATOM 145 CG PRO A 11 398.353 121.966 537.780 1.00 62.40 C ATOM 146 CD PRO A 11 397.989 122.069 539.231 1.00 61.51 C ATOM 147 N MET A 12 401.039 120.040 540.323 1.00 56.29 N ATOM 148 CA MET A 12 402.268 119.508 540.906 1.00 60.90 C ATOM 149 C MET A 12 401.999 118.252 541.732 1.00 66.54 C ATOM 150 O MET A 12 402.807 117.315 541.727 1.00 66.53 O ATOM 151 CB MET A 12 402.947 120.580 541.758 1.00 72.32 C ATOM 152 CG MET A 12 404.259 120.142 542.388 1.00 90.87 C ATOM 153 SD MET A 12 404.109 119.790 544.153 1.00104.77 S ATOM 154 CE MET A 12 403.078 121.153 544.691 1.00110.40 C ATOM 155 H MET A 12 400.675 120.964 540.633 1.00 0.00 H ATOM 156 N ILE A 13 400.873 118.209 542.446 1.00 66.91 N ATOM 157 CA ILE A 13 400.554 117.025 543.240 1.00 63.83 C ATOM 158 C ILE A 13 400.128 115.876 542.334 1.00 60.87 C ATOM 159 O ILE A 13 400.499 114.716 542.561 1.00 58.12 O ATOM 160 CB ILE A 13 399.479 117.361 544.291 1.00 58.14 C ATOM 161 CG1 ILE A 13 400.115 118.074 545.487 1.00 62.37 C ATOM 162 CG2 ILE A 13 398.745 116.103 544.750 1.00 54.84 C ATOM 163 CD1 ILE A 13 399.112 118.632 546.467 1.00 65.37 C ATOM 164 H ILE A 13 400.221 119.019 542.437 1.00 0.00 H ATOM 165 N VAL A 14 399.355 116.178 541.288 1.00 58.29 N ATOM 166 CA VAL A 14 398.988 115.159 540.306 1.00 62.70 C ATOM 167 C VAL A 14 400.235 114.587 539.644 1.00 66.83 C ATOM 168 O VAL A 14 400.334 113.375 539.412 1.00 66.91 O ATOM 169 CB VAL A 14 398.015 115.748 539.267 1.00 58.08 C ATOM 170 CG1 VAL A 14 397.872 114.814 538.071 1.00 58.60 C ATOM 171 CG2 VAL A 14 396.662 116.021 539.903 1.00 53.73 C ATOM 172 H VAL A 14 399.009 117.152 541.170 1.00 0.00 H ATOM 173 N GLU A 15 401.209 115.448 539.339 1.00 68.70 N ATOM 174 CA GLU A 15 402.447 114.991 538.716 1.00 71.83 C ATOM 175 C GLU A 15 403.191 114.017 539.622 1.00 64.82 C ATOM 176 O GLU A 15 403.628 112.948 539.180 1.00 59.68 O ATOM 177 CB GLU A 15 403.334 116.190 538.381 1.00 76.31 C ATOM 178 CG GLU A 15 403.400 116.541 536.911 1.00 92.93 C ATOM 179 CD GLU A 15 404.351 117.691 536.638 1.00104.82 C ATOM 180 OE1 GLU A 15 404.084 118.812 537.120 1.00107.78 O ATOM 181 OE2 GLU A 15 405.369 117.472 535.947 1.00108.84 O ATOM 182 H GLU A 15 401.084 116.459 539.548 1.00 0.00 H ATOM 183 N LEU A 16 403.349 114.377 540.898 1.00 56.38 N ATOM 184 CA LEU A 16 404.078 113.517 541.825 1.00 61.69 C ATOM 185 C LEU A 16 403.353 112.195 542.042 1.00 60.41 C ATOM 186 O LEU A 16 403.990 111.141 542.159 1.00 66.78 O ATOM 187 CB LEU A 16 404.288 114.238 543.155 1.00 56.40 C ATOM 188 CG LEU A 16 405.244 115.431 543.114 1.00 61.76 C ATOM 189 CD1 LEU A 16 405.208 116.201 544.425 1.00 62.11 C ATOM 190 CD2 LEU A 16 406.656 114.965 542.798 1.00 60.30 C ATOM 191 H LEU A 16 402.950 115.277 541.234 1.00 0.00 H ATOM 192 N ALA A 17 402.020 112.229 542.096 1.00 57.85 N ATOM 193 CA ALA A 17 401.260 111.000 542.303 1.00 60.61 C ATOM 194 C ALA A 17 401.381 110.068 541.104 1.00 62.45 C ATOM 195 O ALA A 17 401.503 108.849 541.269 1.00 63.93 O ATOM 196 CB ALA A 17 399.795 111.329 542.584 1.00 57.65 C ATOM 197 H ALA A 17 401.520 113.135 541.990 1.00 0.00 H ATOM 198 N GLU A 18 401.341 110.625 539.890 1.00 58.38 N ATOM 199 CA GLU A 18 401.537 109.813 538.692 1.00 63.26 C ATOM 200 C GLU A 18 402.899 109.131 538.709 1.00 64.64 C ATOM 201 O GLU A 18 403.016 107.948 538.371 1.00 67.68 O ATOM 202 CB GLU A 18 401.393 110.685 537.444 1.00 64.85 C ATOM 203 CG GLU A 18 399.955 110.941 537.015 1.00 80.45 C ATOM 204 CD GLU A 18 399.862 111.857 535.807 1.00 95.31 C ATOM 205 OE1 GLU A 18 400.709 112.767 535.679 1.00100.61 O ATOM 206 OE2 GLU A 18 398.942 111.666 534.984 1.00102.80 O ATOM 207 H GLU A 18 401.169 111.646 539.797 1.00 0.00 H ATOM 208 N LYS A 19 403.939 109.862 539.114 1.00 71.91 N ATOM 209 CA LYS A 19 405.280 109.289 539.172 1.00 76.92 C ATOM 210 C LYS A 19 405.372 108.202 540.236 1.00 78.65 C ATOM 211 O LYS A 19 406.001 107.161 540.012 1.00 81.67 O ATOM 212 CB LYS A 19 406.304 110.394 539.437 1.00 77.62 C ATOM 213 CG LYS A 19 406.408 111.464 538.345 1.00 89.83 C ATOM 214 CD LYS A 19 406.302 110.878 536.943 1.00104.66 C ATOM 215 CE LYS A 19 404.953 111.157 536.287 1.00105.38 C ATOM 216 NZ LYS A 19 404.645 110.090 535.296 1.00103.48 N ATOM 217 HZ1 LYS A 19 405.386 110.072 534.566 1.00 0.00 H ATOM 218 HZ2 LYS A 19 404.610 109.170 535.779 1.00 0.00 H ATOM 219 HZ3 LYS A 19 403.725 110.286 534.853 1.00 0.00 H ATOM 220 H LYS A 19 403.792 110.853 539.392 1.00 0.00 H ATOM 221 N ALA A 20 404.751 108.424 541.398 1.00 69.29 N ATOM 222 CA ALA A 20 404.804 107.426 542.462 1.00 70.34 C ATOM 223 C ALA A 20 404.086 106.146 542.054 1.00 72.24 C ATOM 224 O ALA A 20 404.558 105.040 542.343 1.00 70.13 O ATOM 225 CB ALA A 20 404.205 107.995 543.748 1.00 66.47 C ATOM 226 H ALA A 20 404.228 109.311 541.545 1.00 0.00 H ATOM 227 N MET A 21 402.944 106.276 541.375 1.00 74.05 N ATOM 228 CA MET A 21 402.209 105.098 540.930 1.00 80.21 C ATOM 229 C MET A 21 402.975 104.351 539.846 1.00 89.61 C ATOM 230 O MET A 21 403.100 103.121 539.896 1.00 95.25 O ATOM 231 CB MET A 21 400.824 105.500 540.424 1.00 77.91 C ATOM 232 CG MET A 21 399.889 105.998 541.508 1.00 75.08 C ATOM 233 SD MET A 21 398.169 106.020 540.971 1.00 76.88 S ATOM 234 CE MET A 21 397.852 104.270 540.765 1.00 77.65 C ATOM 235 H MET A 21 402.576 107.225 541.162 1.00 0.00 H ATOM 236 N LYS A 22 403.498 105.080 538.857 1.00 91.22 N ATOM 237 CA LYS A 22 404.202 104.434 537.755 1.00 93.88 C ATOM 238 C LYS A 22 405.502 103.787 538.216 1.00 91.22 C ATOM 239 O LYS A 22 405.907 102.760 537.661 1.00 89.90 O ATOM 240 CB LYS A 22 404.474 105.445 536.640 1.00 97.75 C ATOM 241 CG LYS A 22 403.337 105.580 535.638 1.00101.22 C ATOM 242 CD LYS A 22 403.154 107.022 535.192 1.00102.74 C ATOM 243 CE LYS A 22 402.036 107.147 534.169 1.00105.10 C ATOM 244 NZ LYS A 22 401.790 108.564 533.783 1.00105.80 N ATOM 245 HZ1 LYS A 22 401.522 109.110 534.626 1.00 0.00 H ATOM 246 HZ2 LYS A 22 402.656 108.965 533.370 1.00 0.00 H ATOM 247 HZ3 LYS A 22 401.021 108.603 533.084 1.00 0.00 H ATOM 248 H LYS A 22 403.403 106.116 538.873 1.00 0.00 H ATOM 249 N GLU A 23 406.160 104.362 539.226 1.00 94.59 N ATOM 250 CA GLU A 23 407.404 103.780 539.722 1.00 99.17 C ATOM 251 C GLU A 23 407.182 102.368 540.248 1.00104.45 C ATOM 252 O GLU A 23 408.016 101.480 540.036 1.00111.63 O ATOM 253 CB GLU A 23 408.004 104.669 540.811 1.00 99.96 C ATOM 254 CG GLU A 23 409.524 104.632 540.875 1.00109.18 C ATOM 255 CD GLU A 23 410.176 105.416 539.750 1.00115.86 C ATOM 256 OE1 GLU A 23 411.294 105.043 539.333 1.00120.03 O ATOM 257 OE2 GLU A 23 409.573 106.405 539.283 1.00114.91 O ATOM 258 H GLU A 23 405.785 105.229 539.661 1.00 0.00 H ATOM 259 N TYR A 24 406.058 102.138 540.928 1.00101.84 N ATOM 260 CA TYR A 24 405.714 100.825 541.456 1.00104.48 C ATOM 261 C TYR A 24 404.775 100.056 540.529 1.00108.67 C ATOM 262 O TYR A 24 404.028 99.183 540.985 1.00111.84 O ATOM 263 CB TYR A 24 405.108 100.963 542.852 1.00103.11 C ATOM 264 CG TYR A 24 406.050 101.598 543.854 1.00106.25 C ATOM 265 CD1 TYR A 24 407.139 100.896 544.354 1.00111.40 C ATOM 266 CD2 TYR A 24 405.853 102.900 544.294 1.00103.58 C ATOM 267 CE1 TYR A 24 408.004 101.472 545.268 1.00111.16 C ATOM 268 CE2 TYR A 24 406.713 103.485 545.207 1.00103.82 C ATOM 269 CZ TYR A 24 407.786 102.766 545.691 1.00109.26 C ATOM 270 OH TYR A 24 408.643 103.344 546.599 1.00111.60 O ATOM 271 HH TYR A 24 409.352 102.696 546.841 1.00 0.00 H ATOM 272 H TYR A 24 405.401 102.928 541.088 1.00 0.00 H ATOM 273 N GLY A 25 404.800 100.370 539.235 1.00107.30 N ATOM 274 CA GLY A 25 404.080 99.604 538.235 1.00108.50 C ATOM 275 C GLY A 25 402.570 99.631 538.355 1.00107.81 C ATOM 276 O GLY A 25 401.924 98.580 538.329 1.00110.77 O ATOM 277 H GLY A 25 405.356 101.194 538.930 1.00 0.00 H ATOM 278 N GLU A 26 401.993 100.825 538.486 1.00103.96 N ATOM 279 CA GLU A 26 400.549 100.994 538.549 1.00101.83 C ATOM 280 C GLU A 26 400.134 102.126 537.620 1.00 97.75 C ATOM 281 O GLU A 26 400.903 103.059 537.370 1.00 97.02 O ATOM 282 CB GLU A 26 400.073 101.278 539.983 1.00101.67 C ATOM 283 CG GLU A 26 400.674 100.347 541.029 1.00109.66 C ATOM 284 CD GLU A 26 399.627 99.714 541.921 1.00118.50 C ATOM 285 OE1 GLU A 26 399.882 99.561 543.134 1.00120.53 O ATOM 286 OE2 GLU A 26 398.546 99.366 541.404 1.00122.72 O ATOM 287 H GLU A 26 402.598 101.669 538.546 1.00 0.00 H ATOM 288 N ASP A 27 398.909 102.035 537.104 1.00 94.85 N ATOM 289 CA ASP A 27 398.418 102.985 536.115 1.00 95.12 C ATOM 290 C ASP A 27 397.340 103.864 536.728 1.00 90.48 C ATOM 291 O ASP A 27 396.300 103.346 537.163 1.00 93.39 O ATOM 292 CB ASP A 27 397.872 102.250 534.891 1.00100.77 C ATOM 293 CG ASP A 27 397.744 103.149 533.673 1.00103.35 C ATOM 294 OD1 ASP A 27 397.864 104.384 533.819 1.00 99.91 O ATOM 295 OD2 ASP A 27 397.524 102.617 532.564 1.00108.23 O ATOM 296 H ASP A 27 398.285 101.264 537.416 1.00 0.00 H ATOM 297 N PRO A 28 397.537 105.184 536.782 1.00 86.88 N ATOM 298 CA PRO A 28 396.477 106.065 537.299 1.00 85.69 C ATOM 299 C PRO A 28 395.208 106.040 536.466 1.00 85.21 C ATOM 300 O PRO A 28 394.163 106.498 536.945 1.00 82.94 O ATOM 301 CB PRO A 28 397.131 107.455 537.277 1.00 85.43 C ATOM 302 CG PRO A 28 398.605 107.191 537.239 1.00 82.83 C ATOM 303 CD PRO A 28 398.770 105.925 536.465 1.00 84.55 C ATOM 304 N LYS A 29 395.263 105.524 535.237 1.00 84.17 N ATOM 305 CA LYS A 29 394.070 105.457 534.403 1.00 83.65 C ATOM 306 C LYS A 29 393.152 104.309 534.802 1.00 82.18 C ATOM 307 O LYS A 29 391.942 104.379 534.561 1.00 83.57 O ATOM 308 CB LYS A 29 394.464 105.320 532.931 1.00 85.76 C ATOM 309 CG LYS A 29 395.211 106.518 532.367 1.00 91.31 C ATOM 310 CD LYS A 29 394.309 107.359 531.479 1.00 95.36 C ATOM 311 CE LYS A 29 395.043 108.573 530.934 1.00 93.80 C ATOM 312 NZ LYS A 29 394.113 109.511 530.245 1.00 95.14 N ATOM 313 HZ1 LYS A 29 393.653 109.021 529.452 1.00 0.00 H ATOM 314 HZ2 LYS A 29 393.391 109.838 530.918 1.00 0.00 H ATOM 315 HZ3 LYS A 29 394.649 110.327 529.886 1.00 0.00 H ATOM 316 H LYS A 29 396.168 105.165 534.870 1.00 0.00 H ATOM 317 N ILE A 30 393.696 103.253 535.406 1.00 80.71 N ATOM 318 CA ILE A 30 392.895 102.090 535.772 1.00 84.68 C ATOM 319 C ILE A 30 392.589 102.114 537.264 1.00 88.16 C ATOM 320 O ILE A 30 391.429 102.262 537.665 1.00 91.94 O ATOM 321 CB ILE A 30 393.594 100.778 535.371 1.00 86.87 C ATOM 322 CG1 ILE A 30 393.778 100.717 533.853 1.00 88.29 C ATOM 323 CG2 ILE A 30 392.792 99.582 535.851 1.00 88.15 C ATOM 324 CD1 ILE A 30 395.187 100.404 533.418 1.00 87.20 C ATOM 325 H ILE A 30 394.714 103.258 535.621 1.00 0.00 H ATOM 326 N GLU A 31 393.618 101.963 538.099 1.00 86.65 N ATOM 327 CA GLU A 31 393.429 101.973 539.550 1.00 88.43 C ATOM 328 C GLU A 31 393.291 103.426 539.998 1.00 80.36 C ATOM 329 O GLU A 31 394.211 104.046 540.538 1.00 76.40 O ATOM 330 CB GLU A 31 394.572 101.253 540.254 1.00 99.32 C ATOM 331 CG GLU A 31 394.230 99.813 540.619 1.00112.08 C ATOM 332 CD GLU A 31 394.799 99.385 541.957 1.00120.26 C ATOM 333 OE1 GLU A 31 395.956 98.921 541.993 1.00123.33 O ATOM 334 OE2 GLU A 31 394.087 99.512 542.977 1.00121.57 O ATOM 335 H GLU A 31 394.574 101.836 537.711 1.00 0.00 H ATOM 336 N THR A 32 392.095 103.969 539.768 1.00 76.39 N ATOM 337 CA THR A 32 391.840 105.395 539.929 1.00 72.89 C ATOM 338 C THR A 32 391.531 105.793 541.364 1.00 73.16 C ATOM 339 O THR A 32 391.824 106.929 541.755 1.00 70.95 O ATOM 340 CB THR A 32 390.686 105.823 539.019 1.00 76.69 C ATOM 341 OG1 THR A 32 389.509 105.077 539.354 1.00 81.26 O ATOM 342 CG2 THR A 32 391.043 105.556 537.562 1.00 77.97 C ATOM 343 HG1 THR A 32 388.764 105.355 538.764 1.00 0.00 H ATOM 344 H THR A 32 391.315 103.352 539.462 1.00 0.00 H ATOM 345 N ASN A 33 390.938 104.899 542.159 1.00 72.86 N ATOM 346 CA ASN A 33 390.749 105.202 543.574 1.00 73.50 C ATOM 347 C ASN A 33 392.092 105.374 544.273 1.00 73.56 C ATOM 348 O ASN A 33 392.259 106.279 545.100 1.00 70.69 O ATOM 349 CB ASN A 33 389.923 104.107 544.250 1.00 73.56 C ATOM 350 CG ASN A 33 388.458 104.150 543.852 1.00 72.67 C ATOM 351 OD1 ASN A 33 387.826 105.207 543.878 1.00 71.63 O ATOM 352 ND2 ASN A 33 387.911 102.998 543.487 1.00 72.70 N ATOM 353 HD22 ASN A 33 388.483 102.130 543.480 1.00 0.00 H ATOM 354 HD21 ASN A 33 386.910 102.963 543.208 1.00 0.00 H ATOM 355 H ASN A 33 390.612 103.991 541.771 1.00 0.00 H ATOM 356 N LYS A 34 393.066 104.523 543.942 1.00 73.56 N ATOM 357 CA LYS A 34 394.404 104.679 544.503 1.00 73.64 C ATOM 358 C LYS A 34 395.053 105.969 544.015 1.00 73.57 C ATOM 359 O LYS A 34 395.818 106.606 544.749 1.00 72.60 O ATOM 360 CB LYS A 34 395.265 103.469 544.145 1.00 79.53 C ATOM 361 CG LYS A 34 396.637 103.474 544.794 1.00 86.22 C ATOM 362 CD LYS A 34 396.945 102.141 545.452 1.00 94.53 C ATOM 363 CE LYS A 34 397.190 101.059 544.413 1.00102.53 C ATOM 364 NZ LYS A 34 397.884 99.877 544.994 1.00105.50 N ATOM 365 HZ1 LYS A 34 398.803 100.172 545.381 1.00 0.00 H ATOM 366 HZ2 LYS A 34 397.300 99.473 545.754 1.00 0.00 H ATOM 367 HZ3 LYS A 34 398.031 99.164 544.252 1.00 0.00 H ATOM 368 H LYS A 34 392.870 103.745 543.281 1.00 0.00 H ATOM 369 N PHE A 35 394.756 106.367 542.776 1.00 70.61 N ATOM 370 CA PHE A 35 395.217 107.655 542.266 1.00 67.37 C ATOM 371 C PHE A 35 394.718 108.796 543.144 1.00 67.90 C ATOM 372 O PHE A 35 395.481 109.702 543.501 1.00 63.85 O ATOM 373 CB PHE A 35 394.746 107.832 540.820 1.00 65.96 C ATOM 374 CG PHE A 35 395.326 109.034 540.124 1.00 65.02 C ATOM 375 CD1 PHE A 35 396.545 109.565 540.514 1.00 64.58 C ATOM 376 CD2 PHE A 35 394.653 109.625 539.065 1.00 68.86 C ATOM 377 CE1 PHE A 35 397.077 110.668 539.867 1.00 62.47 C ATOM 378 CE2 PHE A 35 395.180 110.727 538.413 1.00 65.92 C ATOM 379 CZ PHE A 35 396.393 111.249 538.817 1.00 62.09 C ATOM 380 H PHE A 35 394.186 105.749 542.163 1.00 0.00 H ATOM 381 N ALA A 36 393.435 108.763 543.509 1.00 68.41 N ATOM 382 CA ALA A 36 392.877 109.814 544.352 1.00 63.29 C ATOM 383 C ALA A 36 393.482 109.787 545.750 1.00 61.32 C ATOM 384 O ALA A 36 393.735 110.842 546.343 1.00 55.17 O ATOM 385 CB ALA A 36 391.357 109.675 544.425 1.00 55.61 C ATOM 386 H ALA A 36 392.828 107.981 543.190 1.00 0.00 H ATOM 387 N ALA A 37 393.728 108.591 546.290 1.00 58.24 N ATOM 388 CA ALA A 37 394.212 108.482 547.664 1.00 59.79 C ATOM 389 C ALA A 37 395.648 108.976 547.794 1.00 59.63 C ATOM 390 O ALA A 37 396.012 109.576 548.812 1.00 60.18 O ATOM 391 CB ALA A 37 394.094 107.037 548.149 1.00 54.51 C ATOM 392 H ALA A 37 393.574 107.730 545.728 1.00 0.00 H ATOM 393 N ILE A 38 396.480 108.734 546.778 1.00 64.19 N ATOM 394 CA ILE A 38 397.864 109.192 546.839 1.00 62.10 C ATOM 395 C ILE A 38 397.930 110.707 546.695 1.00 58.28 C ATOM 396 O ILE A 38 398.718 111.375 547.377 1.00 61.76 O ATOM 397 CB ILE A 38 398.711 108.472 545.775 1.00 64.18 C ATOM 398 CG1 ILE A 38 398.986 107.035 546.213 1.00 66.97 C ATOM 399 CG2 ILE A 38 400.025 109.207 545.528 1.00 55.24 C ATOM 400 CD1 ILE A 38 399.077 106.067 545.066 1.00 72.32 C ATOM 401 H ILE A 38 396.141 108.218 545.941 1.00 0.00 H ATOM 402 N CYS A 39 397.104 111.274 545.810 1.00 52.73 N ATOM 403 CA CYS A 39 396.996 112.727 545.725 1.00 48.47 C ATOM 404 C CYS A 39 396.572 113.318 547.062 1.00 52.92 C ATOM 405 O CYS A 39 397.148 114.312 547.522 1.00 53.63 O ATOM 406 CB CYS A 39 396.004 113.121 544.630 1.00 50.63 C ATOM 407 SG CYS A 39 396.612 112.905 542.936 1.00 56.93 S ATOM 408 H CYS A 39 396.535 110.676 545.178 1.00 0.00 H ATOM 409 N THR A 40 395.571 112.710 547.704 1.00 52.44 N ATOM 410 CA THR A 40 395.121 113.178 549.010 1.00 52.06 C ATOM 411 C THR A 40 396.236 113.076 550.041 1.00 54.60 C ATOM 412 O THR A 40 396.478 114.015 550.808 1.00 54.76 O ATOM 413 CB THR A 40 393.900 112.374 549.460 1.00 52.17 C ATOM 414 OG1 THR A 40 392.864 112.475 548.477 1.00 55.66 O ATOM 415 CG2 THR A 40 393.384 112.893 550.786 1.00 45.55 C ATOM 416 HG1 THR A 40 393.193 112.117 547.615 1.00 0.00 H ATOM 417 H THR A 40 395.105 111.890 547.266 1.00 0.00 H ATOM 418 N HIS A 41 396.930 111.935 550.071 1.00 53.79 N ATOM 419 CA HIS A 41 398.022 111.753 551.021 1.00 58.74 C ATOM 420 C HIS A 41 399.128 112.771 550.786 1.00 63.02 C ATOM 421 O HIS A 41 399.691 113.321 551.740 1.00 61.38 O ATOM 422 CB HIS A 41 398.570 110.329 550.918 1.00 60.32 C ATOM 423 CG HIS A 41 399.644 110.019 551.916 1.00 61.96 C ATOM 424 ND1 HIS A 41 400.986 110.151 551.631 1.00 57.47 N ATOM 425 CD2 HIS A 41 399.572 109.580 553.195 1.00 61.62 C ATOM 426 CE1 HIS A 41 401.695 109.808 552.691 1.00 61.60 C ATOM 427 NE2 HIS A 41 400.861 109.458 553.655 1.00 60.94 N ATOM 428 H HIS A 41 396.689 111.169 549.410 1.00 0.00 H ATOM 429 N LEU A 42 399.445 113.044 549.518 1.00 59.89 N ATOM 430 CA LEU A 42 400.486 114.017 549.204 1.00 57.59 C ATOM 431 C LEU A 42 400.098 115.410 549.683 1.00 52.98 C ATOM 432 O LEU A 42 400.905 116.113 550.303 1.00 51.11 O ATOM 433 CB LEU A 42 400.760 114.021 547.700 1.00 59.63 C ATOM 434 CG LEU A 42 401.982 113.233 547.227 1.00 63.35 C ATOM 435 CD1 LEU A 42 401.957 113.086 545.714 1.00 66.92 C ATOM 436 CD2 LEU A 42 403.267 113.904 547.685 1.00 62.89 C ATOM 437 H LEU A 42 398.945 112.558 548.746 1.00 0.00 H ATOM 438 N GLU A 43 398.858 115.828 549.405 1.00 43.40 N ATOM 439 CA GLU A 43 398.432 117.171 549.789 1.00 45.13 C ATOM 440 C GLU A 43 398.435 117.343 551.302 1.00 50.06 C ATOM 441 O GLU A 43 398.843 118.393 551.813 1.00 44.95 O ATOM 442 CB GLU A 43 397.043 117.473 549.226 1.00 47.03 C ATOM 443 CG GLU A 43 396.614 118.921 549.445 1.00 58.50 C ATOM 444 CD GLU A 43 395.323 119.276 548.738 1.00 74.55 C ATOM 445 OE1 GLU A 43 394.613 118.352 548.289 1.00 80.23 O ATOM 446 OE2 GLU A 43 395.016 120.482 548.634 1.00 83.85 O ATOM 447 H GLU A 43 398.195 115.195 548.914 1.00 0.00 H ATOM 448 N VAL A 44 397.978 116.326 552.035 1.00 48.48 N ATOM 449 CA VAL A 44 397.981 116.403 553.494 1.00 49.74 C ATOM 450 C VAL A 44 399.407 116.559 554.009 1.00 49.21 C ATOM 451 O VAL A 44 399.690 117.419 554.851 1.00 51.69 O ATOM 452 CB VAL A 44 397.290 115.168 554.097 1.00 47.20 C ATOM 453 CG1 VAL A 44 397.488 115.130 555.606 1.00 49.82 C ATOM 454 CG2 VAL A 44 395.806 115.166 553.747 1.00 51.09 C ATOM 455 H VAL A 44 397.617 115.472 551.564 1.00 0.00 H ATOM 456 N CYS A 45 400.328 115.739 553.492 1.00 49.99 N ATOM 457 CA CYS A 45 401.733 115.846 553.877 1.00 57.17 C ATOM 458 C CYS A 45 402.273 117.252 553.634 1.00 58.27 C ATOM 459 O CYS A 45 403.043 117.777 554.446 1.00 52.50 O ATOM 460 CB CYS A 45 402.566 114.816 553.110 1.00 56.72 C ATOM 461 SG CYS A 45 402.328 113.092 553.618 1.00 59.78 S ATOM 462 H CYS A 45 400.039 115.014 552.805 1.00 0.00 H ATOM 463 N PHE A 46 401.873 117.881 552.525 1.00 48.55 N ATOM 464 CA PHE A 46 402.356 119.224 552.216 1.00 52.84 C ATOM 465 C PHE A 46 401.734 120.267 553.136 1.00 54.72 C ATOM 466 O PHE A 46 402.432 121.158 553.629 1.00 48.90 O ATOM 467 CB PHE A 46 402.070 119.564 550.751 1.00 56.60 C ATOM 468 CG PHE A 46 402.917 118.798 549.777 1.00 57.97 C ATOM 469 CD1 PHE A 46 404.086 118.187 550.197 1.00 68.65 C ATOM 470 CD2 PHE A 46 402.553 118.694 548.445 1.00 64.87 C ATOM 471 CE1 PHE A 46 404.875 117.482 549.310 1.00 78.30 C ATOM 472 CE2 PHE A 46 403.340 117.988 547.550 1.00 73.04 C ATOM 473 CZ PHE A 46 404.501 117.383 547.985 1.00 77.24 C ATOM 474 H PHE A 46 401.211 117.410 551.876 1.00 0.00 H ATOM 475 N MET A 47 400.422 120.189 553.363 1.00 51.02 N ATOM 476 CA MET A 47 399.786 121.089 554.319 1.00 58.23 C ATOM 477 C MET A 47 400.401 120.919 555.701 1.00 50.28 C ATOM 478 O MET A 47 400.603 121.898 556.427 1.00 55.44 O ATOM 479 CB MET A 47 398.283 120.821 554.358 1.00 57.71 C ATOM 480 CG MET A 47 397.570 121.038 553.035 1.00 56.41 C ATOM 481 SD MET A 47 395.815 120.682 553.209 1.00 62.44 S ATOM 482 CE MET A 47 395.382 121.911 554.434 1.00 68.79 C ATOM 483 H MET A 47 399.850 119.484 552.856 1.00 0.00 H ATOM 484 N TYR A 48 400.733 119.676 556.060 1.00 53.51 N ATOM 485 CA TYR A 48 401.348 119.373 557.350 1.00 54.60 C ATOM 486 C TYR A 48 402.699 120.066 557.502 1.00 56.51 C ATOM 487 O TYR A 48 402.985 120.659 558.546 1.00 54.58 O ATOM 488 CB TYR A 48 401.499 117.858 557.489 1.00 49.79 C ATOM 489 CG TYR A 48 401.615 117.355 558.909 1.00 58.63 C ATOM 490 CD1 TYR A 48 402.794 117.505 559.626 1.00 56.78 C ATOM 491 CD2 TYR A 48 400.548 116.714 559.527 1.00 57.14 C ATOM 492 CE1 TYR A 48 402.908 117.038 560.920 1.00 55.52 C ATOM 493 CE2 TYR A 48 400.651 116.243 560.822 1.00 63.81 C ATOM 494 CZ TYR A 48 401.835 116.409 561.513 1.00 60.76 C ATOM 495 OH TYR A 48 401.953 115.948 562.802 1.00 55.90 O ATOM 496 HH TYR A 48 401.804 114.969 562.816 1.00 0.00 H ATOM 497 H TYR A 48 400.547 118.896 555.398 1.00 0.00 H ATOM 498 N SER A 49 403.550 119.989 556.478 1.00 52.64 N ATOM 499 CA SER A 49 404.841 120.674 556.524 1.00 59.43 C ATOM 500 C SER A 49 404.666 122.186 556.598 1.00 53.94 C ATOM 501 O SER A 49 405.512 122.882 557.166 1.00 57.09 O ATOM 502 CB SER A 49 405.689 120.302 555.305 1.00 59.91 C ATOM 503 OG SER A 49 405.028 120.641 554.097 1.00 62.67 O ATOM 504 HG SER A 49 404.168 120.153 554.045 1.00 0.00 H ATOM 505 H SER A 49 403.292 119.435 555.636 1.00 0.00 H ATOM 506 N ASP A 50 403.578 122.709 556.029 1.00 52.78 N ATOM 507 CA ASP A 50 403.292 124.139 556.107 1.00 65.54 C ATOM 508 C ASP A 50 403.006 124.589 557.536 1.00 63.39 C ATOM 509 O ASP A 50 403.152 125.772 557.848 1.00 62.54 O ATOM 510 CB ASP A 50 402.090 124.485 555.218 1.00 84.42 C ATOM 511 CG ASP A 50 402.424 124.500 553.736 1.00 98.29 C ATOM 512 OD1 ASP A 50 402.119 125.509 553.069 1.00104.91 O ATOM 513 OD2 ASP A 50 402.975 123.500 553.231 1.00104.71 O ATOM 514 H ASP A 50 402.920 122.085 555.519 1.00 0.00 H ATOM 515 N GLY A 51 402.592 123.671 558.411 1.00 58.83 N ATOM 516 CA GLY A 51 402.014 124.079 559.681 1.00 67.19 C ATOM 517 C GLY A 51 403.024 124.617 560.672 1.00 74.92 C ATOM 518 O GLY A 51 402.688 125.445 561.519 1.00 81.19 O ATOM 519 H GLY A 51 402.683 122.660 558.184 1.00 0.00 H ATOM 520 N GLY A 52 404.259 124.157 560.587 1.00 77.87 N ATOM 521 CA GLY A 52 405.279 124.498 561.554 1.00 84.54 C ATOM 522 C GLY A 52 406.016 125.774 561.216 1.00 87.04 C ATOM 523 O GLY A 52 405.557 126.603 560.428 1.00 85.38 O ATOM 524 H GLY A 52 404.507 123.528 559.797 1.00 0.00 H ATOM 525 N SER A 53 407.182 125.930 561.838 1.00 87.21 N ATOM 526 CA SER A 53 408.071 127.032 561.514 1.00 88.62 C ATOM 527 C SER A 53 408.650 126.830 560.115 1.00 89.91 C ATOM 528 O SER A 53 408.394 125.827 559.441 1.00 92.81 O ATOM 529 CB SER A 53 409.172 127.150 562.564 1.00 90.17 C ATOM 530 OG SER A 53 408.680 127.742 563.755 1.00 97.89 O ATOM 531 HG SER A 53 409.413 127.806 564.417 1.00 0.00 H ATOM 532 H SER A 53 407.463 125.248 562.572 1.00 0.00 H ATOM 533 N LYS A 73 409.460 127.797 559.680 1.00 88.95 N ATOM 534 CA LYS A 73 409.900 127.826 558.288 1.00 87.01 C ATOM 535 C LYS A 73 410.706 126.584 557.921 1.00 84.62 C ATOM 536 O LYS A 73 410.474 125.975 556.870 1.00 83.21 O ATOM 537 CB LYS A 73 410.715 129.095 558.025 1.00 85.81 C ATOM 538 H LYS A 73 409.781 128.536 560.338 1.00 0.00 H ATOM 539 N HIS A 74 411.646 126.184 558.780 1.00 84.19 N ATOM 540 CA HIS A 74 412.533 125.060 558.508 1.00 83.93 C ATOM 541 C HIS A 74 412.280 123.882 559.440 1.00 76.50 C ATOM 542 O HIS A 74 413.186 123.078 559.686 1.00 80.09 O ATOM 543 CB HIS A 74 413.988 125.513 558.604 1.00 92.16 C ATOM 544 CG HIS A 74 414.366 126.513 557.560 1.00 99.22 C ATOM 545 ND1 HIS A 74 413.815 126.502 556.297 1.00100.82 N ATOM 546 CD2 HIS A 74 415.222 127.561 557.589 1.00102.64 C ATOM 547 CE1 HIS A 74 414.320 127.496 555.590 1.00102.91 C ATOM 548 NE2 HIS A 74 415.176 128.154 556.350 1.00103.42 N ATOM 549 H HIS A 74 411.750 126.695 559.680 1.00 0.00 H ATOM 550 N ARG A 75 411.056 123.758 559.953 1.00 64.03 N ATOM 551 CA ARG A 75 410.764 122.710 560.922 1.00 58.28 C ATOM 552 C ARG A 75 410.848 121.322 560.299 1.00 59.15 C ATOM 553 O ARG A 75 411.461 120.415 560.870 1.00 66.79 O ATOM 554 CB ARG A 75 409.382 122.936 561.525 1.00 59.24 C ATOM 555 CG ARG A 75 408.884 121.738 562.273 1.00 60.84 C ATOM 556 CD ARG A 75 407.985 122.136 563.405 1.00 66.49 C ATOM 557 NE ARG A 75 407.819 121.017 564.318 1.00 67.47 N ATOM 558 CZ ARG A 75 407.017 121.036 565.372 1.00 69.06 C ATOM 559 NH1 ARG A 75 406.306 122.120 565.640 1.00 69.02 N ATOM 560 NH2 ARG A 75 406.925 119.971 566.155 1.00 67.07 N ATOM 561 HE ARG A 75 408.362 120.150 564.133 1.00 0.00 H ATOM 562 HH12 ARG A 75 405.676 122.137 566.467 1.00 0.00 H ATOM 563 HH11 ARG A 75 406.378 122.955 565.024 1.00 0.00 H ATOM 564 HH22 ARG A 75 406.295 119.987 566.982 1.00 0.00 H ATOM 565 HH21 ARG A 75 407.483 119.119 565.942 1.00 0.00 H ATOM 566 H ARG A 75 410.304 124.414 559.659 1.00 0.00 H ATOM 567 N PHE A 76 410.244 121.136 559.132 1.00 59.32 N ATOM 568 CA PHE A 76 410.034 119.812 558.567 1.00 66.16 C ATOM 569 C PHE A 76 410.884 119.592 557.324 1.00 68.95 C ATOM 570 O PHE A 76 411.013 120.481 556.475 1.00 64.81 O ATOM 571 CB PHE A 76 408.558 119.601 558.228 1.00 64.81 C ATOM 572 CG PHE A 76 407.672 119.546 559.433 1.00 61.81 C ATOM 573 CD1 PHE A 76 407.786 118.504 560.338 1.00 59.50 C ATOM 574 CD2 PHE A 76 406.738 120.539 559.674 1.00 57.13 C ATOM 575 CE1 PHE A 76 406.979 118.448 561.454 1.00 57.18 C ATOM 576 CE2 PHE A 76 405.926 120.488 560.790 1.00 57.67 C ATOM 577 CZ PHE A 76 406.048 119.441 561.682 1.00 57.26 C ATOM 578 H PHE A 76 409.909 121.966 558.603 1.00 0.00 H ATOM 579 N GLU A 77 411.464 118.400 557.234 1.00 72.72 N ATOM 580 CA GLU A 77 412.099 117.910 556.020 1.00 66.70 C ATOM 581 C GLU A 77 411.115 116.978 555.322 1.00 65.70 C ATOM 582 O GLU A 77 410.659 115.996 555.917 1.00 66.13 O ATOM 583 CB GLU A 77 413.405 117.182 556.337 1.00 68.08 C ATOM 584 CG GLU A 77 414.209 116.792 555.113 1.00 75.42 C ATOM 585 CD GLU A 77 414.972 117.962 554.524 1.00 81.22 C ATOM 586 OE1 GLU A 77 415.953 118.410 555.157 1.00 81.89 O ATOM 587 OE2 GLU A 77 414.591 118.432 553.430 1.00 75.72 O ATOM 588 H GLU A 77 411.464 117.786 558.074 1.00 0.00 H ATOM 589 N ILE A 78 410.778 117.295 554.078 1.00 63.96 N ATOM 590 CA ILE A 78 409.792 116.532 553.322 1.00 67.15 C ATOM 591 C ILE A 78 410.494 115.362 552.646 1.00 66.06 C ATOM 592 O ILE A 78 411.431 115.555 551.864 1.00 69.89 O ATOM 593 CB ILE A 78 409.076 117.417 552.293 1.00 75.01 C ATOM 594 CG1 ILE A 78 408.154 118.412 552.999 1.00 70.26 C ATOM 595 CG2 ILE A 78 408.284 116.564 551.322 1.00 80.74 C ATOM 596 CD1 ILE A 78 408.027 119.742 552.286 1.00 65.96 C ATOM 597 H ILE A 78 411.232 118.115 553.628 1.00 0.00 H ATOM 598 N ILE A 79 410.042 114.147 552.952 1.00 62.79 N ATOM 599 CA ILE A 79 410.583 112.947 552.337 1.00 67.14 C ATOM 600 C ILE A 79 409.592 112.292 551.378 1.00 62.89 C ATOM 601 O ILE A 79 410.017 111.721 550.363 1.00 61.28 O ATOM 602 CB ILE A 79 411.048 111.949 553.420 1.00 69.23 C ATOM 603 CG1 ILE A 79 412.065 112.621 554.343 1.00 71.23 C ATOM 604 CG2 ILE A 79 411.666 110.711 552.798 1.00 72.47 C ATOM 605 CD1 ILE A 79 411.851 112.329 555.802 1.00 77.72 C ATOM 606 H ILE A 79 409.279 114.055 553.652 1.00 0.00 H ATOM 607 N GLU A 80 408.294 112.366 551.654 1.00 57.19 N ATOM 608 CA GLU A 80 407.288 111.938 550.695 1.00 57.83 C ATOM 609 C GLU A 80 407.326 112.836 549.462 1.00 60.57 C ATOM 610 O GLU A 80 407.632 114.029 549.544 1.00 58.42 O ATOM 611 CB GLU A 80 405.899 111.966 551.338 1.00 59.78 C ATOM 612 CG GLU A 80 404.758 111.519 550.435 1.00 60.98 C ATOM 613 CD GLU A 80 404.947 110.111 549.905 1.00 65.33 C ATOM 614 OE1 GLU A 80 404.580 109.150 550.614 1.00 59.72 O ATOM 615 OE2 GLU A 80 405.461 109.966 548.775 1.00 71.97 O ATOM 616 H GLU A 80 407.991 112.738 552.577 1.00 0.00 H ATOM 617 N GLY A 81 407.026 112.249 548.304 1.00 58.90 N ATOM 618 CA GLY A 81 407.080 112.968 547.050 1.00 58.05 C ATOM 619 C GLY A 81 408.411 112.899 546.337 1.00 63.80 C ATOM 620 O GLY A 81 408.500 113.332 545.181 1.00 75.25 O ATOM 621 H GLY A 81 406.746 111.248 548.302 1.00 0.00 H ATOM 622 N ARG A 82 409.447 112.384 546.988 1.00 67.80 N ATOM 623 CA ARG A 82 410.725 112.128 546.348 1.00 69.51 C ATOM 624 C ARG A 82 410.747 110.717 545.772 1.00 77.12 C ATOM 625 O ARG A 82 410.001 109.833 546.201 1.00 78.71 O ATOM 626 CB ARG A 82 411.874 112.298 547.344 1.00 60.79 C ATOM 627 CG ARG A 82 411.896 113.631 548.072 1.00 59.49 C ATOM 628 CD ARG A 82 413.060 113.683 549.051 1.00 60.17 C ATOM 629 NE ARG A 82 413.125 114.952 549.767 1.00 65.60 N ATOM 630 CZ ARG A 82 413.799 116.017 549.342 1.00 72.30 C ATOM 631 NH1 ARG A 82 414.469 115.971 548.195 1.00 63.03 N ATOM 632 NH2 ARG A 82 413.799 117.129 550.064 1.00 79.81 N ATOM 633 HE ARG A 82 412.611 115.029 550.668 1.00 0.00 H ATOM 634 HH12 ARG A 82 414.995 116.806 547.866 1.00 0.00 H ATOM 635 HH11 ARG A 82 414.467 115.100 547.626 1.00 0.00 H ATOM 636 HH22 ARG A 82 414.325 117.963 549.734 1.00 0.00 H ATOM 637 HH21 ARG A 82 413.273 117.167 550.960 1.00 0.00 H ATOM 638 H ARG A 82 409.339 112.155 547.997 1.00 0.00 H ATOM 639 N ASP A 83 411.615 110.513 544.785 1.00 77.02 N ATOM 640 CA ASP A 83 411.834 109.165 544.288 1.00 80.30 C ATOM 641 C ASP A 83 412.470 108.307 545.379 1.00 75.55 C ATOM 642 O ASP A 83 413.028 108.813 546.357 1.00 78.07 O ATOM 643 CB ASP A 83 412.709 109.182 543.034 1.00 94.06 C ATOM 644 CG ASP A 83 413.940 110.046 543.194 1.00103.78 C ATOM 645 OD1 ASP A 83 414.871 109.625 543.912 1.00107.83 O ATOM 646 OD2 ASP A 83 413.975 111.145 542.600 1.00106.12 O ATOM 647 H ASP A 83 412.134 111.314 544.371 1.00 0.00 H ATOM 648 N ARG A 84 412.378 106.988 545.197 1.00 73.57 N ATOM 649 CA ARG A 84 412.758 106.060 546.259 1.00 78.23 C ATOM 650 C ARG A 84 414.216 106.232 546.670 1.00 80.21 C ATOM 651 O ARG A 84 414.548 106.138 547.857 1.00 80.40 O ATOM 652 CB ARG A 84 412.494 104.622 545.814 1.00 83.25 C ATOM 653 H ARG A 84 412.032 106.617 544.289 1.00 0.00 H ATOM 654 N ILE A 85 415.100 106.496 545.706 1.00 77.72 N ATOM 655 CA ILE A 85 416.528 106.569 546.008 1.00 75.48 C ATOM 656 C ILE A 85 416.845 107.828 546.808 1.00 69.66 C ATOM 657 O ILE A 85 417.516 107.770 547.845 1.00 76.03 O ATOM 658 CB ILE A 85 417.354 106.496 544.711 1.00 81.72 C ATOM 659 CG1 ILE A 85 417.535 105.040 544.280 1.00 88.55 C ATOM 660 CG2 ILE A 85 418.711 107.163 544.894 1.00 78.41 C ATOM 661 CD1 ILE A 85 418.282 104.195 545.289 1.00 86.85 C ATOM 662 H ILE A 85 414.770 106.651 544.732 1.00 0.00 H ATOM 663 N MET A 86 416.369 108.985 546.341 1.00 71.22 N ATOM 664 CA MET A 86 416.702 110.236 547.015 1.00 71.79 C ATOM 665 C MET A 86 416.009 110.348 548.367 1.00 68.69 C ATOM 666 O MET A 86 416.568 110.936 549.299 1.00 70.98 O ATOM 667 CB MET A 86 416.342 111.428 546.127 1.00 72.66 C ATOM 668 CG MET A 86 416.724 112.782 546.712 1.00 82.07 C ATOM 669 SD MET A 86 418.507 112.985 546.917 1.00 94.04 S ATOM 670 CE MET A 86 418.641 114.772 546.971 1.00101.37 C ATOM 671 H MET A 86 415.761 108.995 545.497 1.00 0.00 H ATOM 672 N ALA A 87 414.803 109.791 548.497 1.00 64.46 N ATOM 673 CA ALA A 87 414.121 109.811 549.786 1.00 59.41 C ATOM 674 C ALA A 87 414.929 109.068 550.843 1.00 61.70 C ATOM 675 O ALA A 87 415.075 109.545 551.975 1.00 62.38 O ATOM 676 CB ALA A 87 412.723 109.209 549.652 1.00 53.03 C ATOM 677 H ALA A 87 414.348 109.341 547.677 1.00 0.00 H ATOM 678 N TRP A 88 415.475 107.903 550.488 1.00 66.84 N ATOM 679 CA TRP A 88 416.323 107.175 551.425 1.00 68.35 C ATOM 680 C TRP A 88 417.663 107.873 551.627 1.00 64.54 C ATOM 681 O TRP A 88 418.264 107.754 552.699 1.00 61.77 O ATOM 682 CB TRP A 88 416.533 105.740 550.939 1.00 74.80 C ATOM 683 CG TRP A 88 415.430 104.807 551.343 1.00 80.97 C ATOM 684 CD1 TRP A 88 414.518 104.210 550.521 1.00 80.49 C ATOM 685 CD2 TRP A 88 415.121 104.365 552.672 1.00 79.75 C ATOM 686 NE1 TRP A 88 413.662 103.424 551.255 1.00 78.76 N ATOM 687 CE2 TRP A 88 414.010 103.502 552.578 1.00 79.67 C ATOM 688 CE3 TRP A 88 415.675 104.616 553.931 1.00 81.28 C ATOM 689 CZ2 TRP A 88 413.444 102.889 553.694 1.00 83.87 C ATOM 690 CZ3 TRP A 88 415.112 104.005 555.038 1.00 83.48 C ATOM 691 CH2 TRP A 88 414.008 103.153 554.912 1.00 83.11 C ATOM 692 HE1 TRP A 88 412.877 102.861 550.869 1.00 0.00 H ATOM 693 H TRP A 88 415.295 107.513 549.541 1.00 0.00 H ATOM 694 N THR A 89 418.146 108.598 550.615 1.00 63.81 N ATOM 695 CA THR A 89 419.368 109.376 550.788 1.00 61.22 C ATOM 696 C THR A 89 419.185 110.450 551.853 1.00 62.93 C ATOM 697 O THR A 89 420.064 110.657 552.697 1.00 60.41 O ATOM 698 CB THR A 89 419.786 110.009 549.459 1.00 67.28 C ATOM 699 OG1 THR A 89 419.975 108.985 548.474 1.00 72.83 O ATOM 700 CG2 THR A 89 421.083 110.796 549.622 1.00 58.04 C ATOM 701 HG1 THR A 89 419.128 108.488 548.349 1.00 0.00 H ATOM 702 H THR A 89 417.650 108.608 549.701 1.00 0.00 H ATOM 703 N VAL A 90 418.042 111.141 551.831 1.00 66.49 N ATOM 704 CA VAL A 90 417.776 112.172 552.827 1.00 63.06 C ATOM 705 C VAL A 90 417.585 111.552 554.203 1.00 61.78 C ATOM 706 O VAL A 90 417.970 112.145 555.218 1.00 60.64 O ATOM 707 CB VAL A 90 416.557 113.014 552.405 1.00 57.01 C ATOM 708 CG1 VAL A 90 416.264 114.095 553.433 1.00 51.26 C ATOM 709 CG2 VAL A 90 416.795 113.638 551.035 1.00 56.95 C ATOM 710 H VAL A 90 417.334 110.941 551.096 1.00 0.00 H ATOM 711 N VAL A 91 417.003 110.351 554.266 1.00 66.33 N ATOM 712 CA VAL A 91 416.804 109.685 555.550 1.00 64.91 C ATOM 713 C VAL A 91 418.146 109.379 556.204 1.00 66.08 C ATOM 714 O VAL A 91 418.339 109.621 557.402 1.00 63.13 O ATOM 715 CB VAL A 91 415.957 108.412 555.364 1.00 67.76 C ATOM 716 CG1 VAL A 91 416.206 107.421 556.505 1.00 63.02 C ATOM 717 CG2 VAL A 91 414.482 108.766 555.266 1.00 66.29 C ATOM 718 H VAL A 91 416.688 109.885 553.391 1.00 0.00 H ATOM 719 N ASN A 92 419.097 108.855 555.426 1.00 68.91 N ATOM 720 CA ASN A 92 420.405 108.524 555.983 1.00 78.13 C ATOM 721 C ASN A 92 421.159 109.776 556.410 1.00 77.51 C ATOM 722 O ASN A 92 421.878 109.760 557.415 1.00 74.32 O ATOM 723 CB ASN A 92 421.219 107.725 554.968 1.00 85.72 C ATOM 724 CG ASN A 92 420.498 106.481 554.500 1.00 93.98 C ATOM 725 OD1 ASN A 92 419.896 105.764 555.298 1.00100.47 O ATOM 726 ND2 ASN A 92 420.554 106.218 553.201 1.00 99.35 N ATOM 727 HD22 ASN A 92 421.075 106.853 552.564 1.00 0.00 H ATOM 728 HD21 ASN A 92 420.077 105.376 552.820 1.00 0.00 H ATOM 729 H ASN A 92 418.905 108.682 554.419 1.00 0.00 H ATOM 730 N SER A 93 421.010 110.870 555.658 1.00 73.12 N ATOM 731 CA SER A 93 421.629 112.128 556.062 1.00 66.32 C ATOM 732 C SER A 93 421.061 112.617 557.387 1.00 60.15 C ATOM 733 O SER A 93 421.805 113.091 558.252 1.00 59.60 O ATOM 734 CB SER A 93 421.438 113.184 554.973 1.00 67.56 C ATOM 735 OG SER A 93 422.028 112.770 553.754 1.00 68.96 O ATOM 736 HG SER A 93 421.607 111.925 553.455 1.00 0.00 H ATOM 737 H SER A 93 420.451 110.825 554.782 1.00 0.00 H ATOM 738 N ILE A 94 419.742 112.513 557.563 1.00 56.12 N ATOM 739 CA ILE A 94 419.128 112.912 558.824 1.00 61.33 C ATOM 740 C ILE A 94 419.596 112.004 559.955 1.00 65.21 C ATOM 741 O ILE A 94 419.846 112.463 561.077 1.00 71.54 O ATOM 742 CB ILE A 94 417.593 112.912 558.690 1.00 63.08 C ATOM 743 CG1 ILE A 94 417.140 114.025 557.745 1.00 63.80 C ATOM 744 CG2 ILE A 94 416.927 113.065 560.054 1.00 60.07 C ATOM 745 CD1 ILE A 94 415.687 113.921 557.338 1.00 63.78 C ATOM 746 H ILE A 94 419.147 112.144 556.794 1.00 0.00 H ATOM 747 N CYS A 95 419.739 110.708 559.676 1.00 64.50 N ATOM 748 CA CYS A 95 420.140 109.761 560.712 1.00 74.15 C ATOM 749 C CYS A 95 421.603 109.948 561.093 1.00 74.92 C ATOM 750 O CYS A 95 421.942 110.017 562.281 1.00 65.32 O ATOM 751 CB CYS A 95 419.884 108.331 560.236 1.00 78.82 C ATOM 752 SG CYS A 95 418.134 107.904 560.083 1.00 79.74 S ATOM 753 H CYS A 95 419.563 110.368 558.709 1.00 0.00 H ATOM 754 N ASN A 96 422.486 110.036 560.098 1.00 79.96 N ATOM 755 CA ASN A 96 423.912 110.196 560.360 1.00 86.17 C ATOM 756 C ASN A 96 424.272 111.585 560.866 1.00 88.94 C ATOM 757 O ASN A 96 425.456 111.847 561.109 1.00 97.33 O ATOM 758 CB ASN A 96 424.713 109.883 559.095 1.00 91.26 C ATOM 759 CG ASN A 96 424.808 108.395 558.819 1.00 95.26 C ATOM 760 OD1 ASN A 96 425.751 107.732 559.252 1.00 98.24 O ATOM 761 ND2 ASN A 96 423.831 107.864 558.092 1.00 92.23 N ATOM 762 HD22 ASN A 96 423.054 108.464 557.748 1.00 0.00 H ATOM 763 HD21 ASN A 96 423.843 106.849 557.867 1.00 0.00 H ATOM 764 H ASN A 96 422.151 109.990 559.115 1.00 0.00 H ATOM 765 N THR A 97 423.295 112.473 561.026 1.00 81.30 N ATOM 766 CA THR A 97 423.507 113.817 561.550 1.00 81.15 C ATOM 767 C THR A 97 422.890 114.021 562.923 1.00 84.86 C ATOM 768 O THR A 97 423.500 114.663 563.783 1.00 90.27 O ATOM 769 CB THR A 97 422.939 114.854 560.569 1.00 82.57 C ATOM 770 OG1 THR A 97 423.882 115.082 559.512 1.00 82.41 O ATOM 771 CG2 THR A 97 422.620 116.173 561.264 1.00 82.27 C ATOM 772 HG1 THR A 97 423.514 115.750 558.881 1.00 0.00 H ATOM 773 H THR A 97 422.328 112.194 560.763 1.00 0.00 H ATOM 774 N THR A 98 421.705 113.462 563.157 1.00 81.42 N ATOM 775 CA THR A 98 420.993 113.620 564.416 1.00 75.88 C ATOM 776 C THR A 98 421.066 112.389 565.310 1.00 80.87 C ATOM 777 O THR A 98 420.674 112.470 566.479 1.00 74.90 O ATOM 778 CB THR A 98 419.523 113.955 564.143 1.00 73.19 C ATOM 779 OG1 THR A 98 418.862 112.793 563.628 1.00 69.80 O ATOM 780 CG2 THR A 98 419.414 115.081 563.128 1.00 73.25 C ATOM 781 HG1 THR A 98 419.301 112.511 562.786 1.00 0.00 H ATOM 782 H THR A 98 421.269 112.887 562.408 1.00 0.00 H ATOM 783 N GLY A 99 421.547 111.258 564.796 1.00 87.09 N ATOM 784 CA GLY A 99 421.629 110.043 565.576 1.00 90.44 C ATOM 785 C GLY A 99 420.320 109.311 565.777 1.00 93.38 C ATOM 786 O GLY A 99 420.293 108.324 566.522 1.00 95.37 O ATOM 787 H GLY A 99 421.872 111.249 563.808 1.00 0.00 H ATOM 788 N VAL A 100 419.234 109.763 565.147 1.00 91.96 N ATOM 789 CA VAL A 100 417.961 109.062 565.249 1.00 92.07 C ATOM 790 C VAL A 100 418.066 107.710 564.551 1.00 91.86 C ATOM 791 O VAL A 100 418.794 107.547 563.562 1.00 93.99 O ATOM 792 CB VAL A 100 416.830 109.923 564.653 1.00 91.20 C ATOM 793 CG1 VAL A 100 415.491 109.201 564.718 1.00 91.48 C ATOM 794 CG2 VAL A 100 416.743 111.251 565.388 1.00 92.19 C ATOM 795 H VAL A 100 419.297 110.629 564.574 1.00 0.00 H ATOM 796 N GLU A 101 417.348 106.722 565.085 1.00 84.12 N ATOM 797 CA GLU A 101 417.364 105.384 564.511 1.00 88.27 C ATOM 798 C GLU A 101 416.851 105.401 563.075 1.00 87.26 C ATOM 799 O GLU A 101 415.876 106.086 562.751 1.00 83.51 O ATOM 800 CB GLU A 101 416.517 104.436 565.362 1.00 91.49 C ATOM 801 H GLU A 101 416.766 106.910 565.926 1.00 0.00 H ATOM 802 N LYS A 102 417.517 104.641 562.216 1.00 88.76 N ATOM 803 CA LYS A 102 417.127 104.545 560.813 1.00 88.26 C ATOM 804 C LYS A 102 415.851 103.723 560.681 1.00 90.75 C ATOM 805 O LYS A 102 415.856 102.532 561.022 1.00 96.28 O ATOM 806 CB LYS A 102 418.255 103.916 560.000 1.00 86.95 C ATOM 807 CG LYS A 102 417.963 103.771 558.518 1.00 84.77 C ATOM 808 CD LYS A 102 419.251 103.619 557.722 1.00 89.30 C ATOM 809 CE LYS A 102 419.007 102.901 556.404 1.00 93.99 C ATOM 810 NZ LYS A 102 420.187 102.989 555.498 1.00 96.02 N ATOM 811 HZ1 LYS A 102 420.391 103.988 555.293 1.00 0.00 H ATOM 812 HZ2 LYS A 102 421.011 102.553 555.960 1.00 0.00 H ATOM 813 HZ3 LYS A 102 419.980 102.487 554.611 1.00 0.00 H ATOM 814 H LYS A 102 418.339 104.099 562.551 1.00 0.00 H ATOM 815 N PRO A 103 414.751 104.297 560.199 1.00 88.02 N ATOM 816 CA PRO A 103 413.499 103.537 560.124 1.00 86.54 C ATOM 817 C PRO A 103 413.578 102.421 559.095 1.00 88.82 C ATOM 818 O PRO A 103 414.335 102.486 558.123 1.00 86.34 O ATOM 819 CB PRO A 103 412.466 104.595 559.721 1.00 83.82 C ATOM 820 CG PRO A 103 413.258 105.632 559.002 1.00 79.60 C ATOM 821 CD PRO A 103 414.602 105.667 559.678 1.00 81.59 C ATOM 822 N LYS A 104 412.782 101.378 559.329 1.00 91.37 N ATOM 823 CA LYS A 104 412.763 100.241 558.417 1.00 91.97 C ATOM 824 C LYS A 104 412.025 100.558 557.125 1.00 89.97 C ATOM 825 O LYS A 104 412.324 99.964 556.084 1.00 94.58 O ATOM 826 CB LYS A 104 412.127 99.029 559.100 1.00 94.28 C ATOM 827 H LYS A 104 412.169 101.375 560.169 1.00 0.00 H ATOM 828 N PHE A 105 411.071 101.484 557.168 1.00 84.15 N ATOM 829 CA PHE A 105 410.288 101.852 556.001 1.00 87.06 C ATOM 830 C PHE A 105 410.234 103.369 555.887 1.00 82.68 C ATOM 831 O PHE A 105 410.411 104.094 556.870 1.00 79.05 O ATOM 832 CB PHE A 105 408.872 101.261 556.066 1.00 90.87 C ATOM 833 CG PHE A 105 408.848 99.782 556.342 1.00 97.87 C ATOM 834 CD1 PHE A 105 408.796 98.869 555.300 1.00100.61 C ATOM 835 CD2 PHE A 105 408.879 99.305 557.643 1.00102.78 C ATOM 836 CE1 PHE A 105 408.777 97.509 555.551 1.00105.83 C ATOM 837 CE2 PHE A 105 408.862 97.947 557.900 1.00107.88 C ATOM 838 CZ PHE A 105 408.809 97.048 556.854 1.00110.47 C ATOM 839 H PHE A 105 410.878 101.963 558.071 1.00 0.00 H ATOM 840 N LEU A 106 409.983 103.834 554.667 1.00 82.10 N ATOM 841 CA LEU A 106 410.080 105.255 554.362 1.00 79.34 C ATOM 842 C LEU A 106 409.061 106.057 555.168 1.00 74.46 C ATOM 843 O LEU A 106 407.862 105.753 555.119 1.00 73.71 O ATOM 844 CB LEU A 106 409.856 105.491 552.870 1.00 77.76 C ATOM 845 CG LEU A 106 411.103 105.584 551.994 1.00 81.02 C ATOM 846 CD1 LEU A 106 410.716 105.836 550.545 1.00 85.29 C ATOM 847 CD2 LEU A 106 412.033 106.671 552.506 1.00 77.70 C ATOM 848 H LEU A 106 409.712 103.169 553.915 1.00 0.00 H ATOM 849 N PRO A 107 409.489 107.071 555.907 1.00 72.09 N ATOM 850 CA PRO A 107 408.546 107.997 556.539 1.00 72.05 C ATOM 851 C PRO A 107 408.153 109.096 555.555 1.00 63.72 C ATOM 852 O PRO A 107 408.619 109.142 554.417 1.00 60.28 O ATOM 853 CB PRO A 107 409.336 108.559 557.729 1.00 77.41 C ATOM 854 CG PRO A 107 410.735 107.964 557.629 1.00 79.67 C ATOM 855 CD PRO A 107 410.878 107.384 556.264 1.00 73.92 C ATOM 856 N ASP A 108 407.282 109.992 556.019 1.00 59.02 N ATOM 857 CA ASP A 108 406.802 111.103 555.207 1.00 60.12 C ATOM 858 C ASP A 108 407.505 112.418 555.508 1.00 59.11 C ATOM 859 O ASP A 108 407.690 113.232 554.594 1.00 58.98 O ATOM 860 CB ASP A 108 405.294 111.293 555.402 1.00 62.60 C ATOM 861 CG ASP A 108 404.490 110.092 554.942 1.00 70.17 C ATOM 862 OD1 ASP A 108 404.803 109.546 553.863 1.00 70.08 O ATOM 863 OD2 ASP A 108 403.546 109.695 555.658 1.00 65.30 O ATOM 864 H ASP A 108 406.933 109.895 556.994 1.00 0.00 H ATOM 865 N LEU A 109 407.891 112.649 556.761 1.00 58.04 N ATOM 866 CA LEU A 109 408.539 113.890 557.154 1.00 58.81 C ATOM 867 C LEU A 109 409.559 113.598 558.242 1.00 64.27 C ATOM 868 O LEU A 109 409.557 112.526 558.853 1.00 71.66 O ATOM 869 CB LEU A 109 407.532 114.926 557.671 1.00 54.66 C ATOM 870 CG LEU A 109 406.357 115.348 556.793 1.00 57.24 C ATOM 871 CD1 LEU A 109 405.271 115.968 557.647 1.00 60.08 C ATOM 872 CD2 LEU A 109 406.813 116.318 555.714 1.00 60.83 C ATOM 873 H LEU A 109 407.724 111.918 557.482 1.00 0.00 H ATOM 874 N TYR A 110 410.430 114.574 558.483 1.00 62.26 N ATOM 875 CA TYR A 110 411.257 114.606 559.680 1.00 73.52 C ATOM 876 C TYR A 110 411.023 115.924 560.400 1.00 72.53 C ATOM 877 O TYR A 110 411.029 116.989 559.773 1.00 63.70 O ATOM 878 CB TYR A 110 412.745 114.444 559.366 1.00 71.32 C ATOM 879 CG TYR A 110 413.602 114.432 560.615 1.00 67.77 C ATOM 880 CD1 TYR A 110 413.625 113.324 561.452 1.00 71.36 C ATOM 881 CD2 TYR A 110 414.371 115.533 560.966 1.00 66.10 C ATOM 882 CE1 TYR A 110 414.402 113.308 562.599 1.00 73.12 C ATOM 883 CE2 TYR A 110 415.149 115.527 562.109 1.00 66.78 C ATOM 884 CZ TYR A 110 415.161 114.413 562.922 1.00 72.61 C ATOM 885 OH TYR A 110 415.935 114.403 564.061 1.00 74.78 O ATOM 886 HH TYR A 110 415.828 113.535 564.524 1.00 0.00 H ATOM 887 H TYR A 110 410.524 115.343 557.790 1.00 0.00 H ATOM 888 N ASP A 111 410.812 115.845 561.711 1.00 70.60 N ATOM 889 CA ASP A 111 410.592 117.019 562.547 1.00 66.72 C ATOM 890 C ASP A 111 411.924 117.427 563.165 1.00 66.01 C ATOM 891 O ASP A 111 412.440 116.739 564.048 1.00 68.85 O ATOM 892 CB ASP A 111 409.554 116.716 563.625 1.00 67.07 C ATOM 893 CG ASP A 111 408.982 117.969 564.261 1.00 70.04 C ATOM 894 OD1 ASP A 111 409.627 119.036 564.188 1.00 71.01 O ATOM 895 OD2 ASP A 111 407.881 117.883 564.841 1.00 73.97 O ATOM 896 H ASP A 111 410.804 114.906 562.158 1.00 0.00 H ATOM 897 N TYR A 112 412.485 118.547 562.701 1.00 60.84 N ATOM 898 CA TYR A 112 413.733 119.031 563.282 1.00 63.58 C ATOM 899 C TYR A 112 413.540 119.584 564.687 1.00 68.79 C ATOM 900 O TYR A 112 414.509 119.651 565.452 1.00 70.95 O ATOM 901 CB TYR A 112 414.357 120.101 562.387 1.00 60.26 C ATOM 902 CG TYR A 112 415.146 119.539 561.228 1.00 64.25 C ATOM 903 CD1 TYR A 112 416.254 118.729 561.444 1.00 65.54 C ATOM 904 CD2 TYR A 112 414.781 119.816 559.917 1.00 61.54 C ATOM 905 CE1 TYR A 112 416.978 118.211 560.386 1.00 69.48 C ATOM 906 CE2 TYR A 112 415.500 119.303 558.851 1.00 65.53 C ATOM 907 CZ TYR A 112 416.596 118.502 559.091 1.00 70.82 C ATOM 908 OH TYR A 112 417.311 117.990 558.032 1.00 73.26 O ATOM 909 HH TYR A 112 418.060 117.441 558.375 1.00 0.00 H ATOM 910 H TYR A 112 412.033 119.073 561.926 1.00 0.00 H ATOM 911 N LYS A 113 412.318 119.983 565.044 1.00 65.43 N ATOM 912 CA LYS A 113 412.067 120.512 566.379 1.00 73.25 C ATOM 913 C LYS A 113 411.992 119.393 567.412 1.00 73.97 C ATOM 914 O LYS A 113 412.626 119.473 568.469 1.00 75.11 O ATOM 915 CB LYS A 113 410.777 121.335 566.383 1.00 76.85 C ATOM 916 CG LYS A 113 410.443 121.960 567.726 1.00 85.81 C ATOM 917 CD LYS A 113 409.355 123.012 567.589 1.00 85.44 C ATOM 918 CE LYS A 113 408.838 123.451 568.950 1.00 86.01 C ATOM 919 NZ LYS A 113 407.927 124.625 568.849 1.00 83.84 N ATOM 920 HZ1 LYS A 113 408.439 125.424 568.422 1.00 0.00 H ATOM 921 HZ2 LYS A 113 407.110 124.378 568.255 1.00 0.00 H ATOM 922 HZ3 LYS A 113 407.599 124.890 569.799 1.00 0.00 H ATOM 923 H LYS A 113 411.536 119.916 564.362 1.00 0.00 H ATOM 924 N GLU A 114 411.227 118.341 567.119 1.00 71.17 N ATOM 925 CA GLU A 114 411.058 117.217 568.031 1.00 70.78 C ATOM 926 C GLU A 114 411.999 116.055 567.737 1.00 72.62 C ATOM 927 O GLU A 114 412.019 115.089 568.509 1.00 68.82 O ATOM 928 CB GLU A 114 409.608 116.718 567.995 1.00 71.24 C ATOM 929 CG GLU A 114 408.616 117.668 568.646 1.00 84.68 C ATOM 930 CD GLU A 114 408.698 117.647 570.161 1.00 92.39 C ATOM 931 OE1 GLU A 114 409.146 116.622 570.721 1.00 94.62 O ATOM 932 OE2 GLU A 114 408.324 118.658 570.791 1.00 96.77 O ATOM 933 H GLU A 114 410.732 118.322 566.205 1.00 0.00 H ATOM 934 N ASN A 115 412.762 116.123 566.645 1.00 69.18 N ATOM 935 CA ASN A 115 413.774 115.123 566.297 1.00 75.75 C ATOM 936 C ASN A 115 413.165 113.723 566.188 1.00 73.14 C ATOM 937 O ASN A 115 413.492 112.809 566.947 1.00 77.76 O ATOM 938 CB ASN A 115 414.933 115.152 567.298 1.00 84.93 C ATOM 939 CG ASN A 115 415.901 116.288 567.031 1.00 93.56 C ATOM 940 OD1 ASN A 115 416.175 117.107 567.908 1.00100.42 O ATOM 941 ND2 ASN A 115 416.420 116.348 565.809 1.00 92.94 N ATOM 942 HD22 ASN A 115 416.161 115.634 565.098 1.00 0.00 H ATOM 943 HD21 ASN A 115 417.086 117.108 565.563 1.00 0.00 H ATOM 944 H ASN A 115 412.631 116.932 566.005 1.00 0.00 H ATOM 945 N ARG A 116 412.274 113.568 565.209 1.00 67.28 N ATOM 946 CA ARG A 116 411.634 112.282 564.974 1.00 68.73 C ATOM 947 C ARG A 116 411.047 112.253 563.571 1.00 64.88 C ATOM 948 O ARG A 116 410.694 113.291 563.007 1.00 65.62 O ATOM 949 CB ARG A 116 410.539 111.996 566.011 1.00 68.52 C ATOM 950 CG ARG A 116 409.363 112.960 565.970 1.00 65.77 C ATOM 951 CD ARG A 116 408.562 112.914 567.273 1.00 64.40 C ATOM 952 NE ARG A 116 407.438 113.846 567.249 1.00 61.02 N ATOM 953 CZ ARG A 116 406.755 114.236 568.321 1.00 67.04 C ATOM 954 NH1 ARG A 116 407.074 113.772 569.523 1.00 66.59 N ATOM 955 NH2 ARG A 116 405.750 115.091 568.189 1.00 65.45 N ATOM 956 HE ARG A 116 407.151 114.232 566.327 1.00 0.00 H ATOM 957 HH12 ARG A 116 406.537 114.080 570.359 1.00 0.00 H ATOM 958 HH11 ARG A 116 407.861 113.101 569.629 1.00 0.00 H ATOM 959 HH22 ARG A 116 405.215 115.397 569.026 1.00 0.00 H ATOM 960 HH21 ARG A 116 405.497 115.455 567.248 1.00 0.00 H ATOM 961 H ARG A 116 412.032 114.378 564.604 1.00 0.00 H ATOM 962 N PHE A 117 410.948 111.047 563.021 1.00 66.07 N ATOM 963 CA PHE A 117 410.284 110.837 561.746 1.00 62.34 C ATOM 964 C PHE A 117 408.782 110.679 561.949 1.00 67.86 C ATOM 965 O PHE A 117 408.321 110.157 562.969 1.00 74.31 O ATOM 966 CB PHE A 117 410.851 109.601 561.047 1.00 61.29 C ATOM 967 CG PHE A 117 412.253 109.781 560.538 1.00 68.58 C ATOM 968 CD1 PHE A 117 412.492 110.453 559.349 1.00 61.11 C ATOM 969 CD2 PHE A 117 413.332 109.281 561.249 1.00 65.98 C ATOM 970 CE1 PHE A 117 413.781 110.618 558.876 1.00 63.25 C ATOM 971 CE2 PHE A 117 414.623 109.445 560.782 1.00 70.58 C ATOM 972 CZ PHE A 117 414.847 110.114 559.593 1.00 66.03 C ATOM 973 H PHE A 117 411.358 110.230 563.518 1.00 0.00 H ATOM 974 N ILE A 118 408.016 111.138 560.962 1.00 59.74 N ATOM 975 CA ILE A 118 406.558 111.092 560.995 1.00 59.40 C ATOM 976 C ILE A 118 406.064 110.343 559.767 1.00 65.69 C ATOM 977 O ILE A 118 406.511 110.616 558.645 1.00 61.69 O ATOM 978 CB ILE A 118 405.941 112.503 561.039 1.00 62.20 C ATOM 979 CG1 ILE A 118 406.566 113.339 562.156 1.00 64.66 C ATOM 980 CG2 ILE A 118 404.430 112.418 561.201 1.00 60.98 C ATOM 981 CD1 ILE A 118 406.349 114.831 561.989 1.00 63.54 C ATOM 982 H ILE A 118 408.479 111.549 560.127 1.00 0.00 H ATOM 983 N ASP A 119 405.142 109.408 559.978 1.00 62.70 N ATOM 984 CA ASP A 119 404.370 108.804 558.899 1.00 68.83 C ATOM 985 C ASP A 119 402.926 109.255 559.050 1.00 62.83 C ATOM 986 O ASP A 119 402.275 108.944 560.054 1.00 62.79 O ATOM 987 CB ASP A 119 404.463 107.278 558.914 1.00 80.64 C ATOM 988 CG ASP A 119 404.038 106.657 557.588 1.00 88.03 C ATOM 989 OD1 ASP A 119 403.050 107.133 556.987 1.00 84.40 O ATOM 990 OD2 ASP A 119 404.696 105.694 557.139 1.00 91.82 O ATOM 991 H ASP A 119 404.964 109.095 560.954 1.00 0.00 H ATOM 992 N ILE A 120 402.432 109.986 558.061 1.00 55.38 N ATOM 993 CA ILE A 120 401.077 110.517 558.093 1.00 58.18 C ATOM 994 C ILE A 120 400.147 109.519 557.423 1.00 58.53 C ATOM 995 O ILE A 120 400.446 109.005 556.340 1.00 61.94 O ATOM 996 CB ILE A 120 401.009 111.892 557.411 1.00 59.28 C ATOM 997 CG1 ILE A 120 401.779 112.923 558.239 1.00 66.22 C ATOM 998 CG2 ILE A 120 399.565 112.332 557.237 1.00 57.24 C ATOM 999 CD1 ILE A 120 402.028 114.215 557.515 1.00 75.93 C ATOM 1000 H ILE A 120 403.032 110.187 557.235 1.00 0.00 H ATOM 1001 N GLY A 121 399.030 109.226 558.078 1.00 66.63 N ATOM 1002 CA GLY A 121 398.029 108.306 557.558 1.00 61.14 C ATOM 1003 C GLY A 121 396.745 109.046 557.235 1.00 55.44 C ATOM 1004 O GLY A 121 396.314 109.918 557.993 1.00 50.96 O ATOM 1005 H GLY A 121 398.863 109.673 559.002 1.00 0.00 H ATOM 1006 N VAL A 122 396.153 108.711 556.091 1.00 58.51 N ATOM 1007 CA VAL A 122 394.846 109.220 555.695 1.00 59.03 C ATOM 1008 C VAL A 122 393.971 108.012 555.397 1.00 69.03 C ATOM 1009 O VAL A 122 394.290 107.221 554.501 1.00 80.01 O ATOM 1010 CB VAL A 122 394.925 110.154 554.475 1.00 54.72 C ATOM 1011 CG1 VAL A 122 393.539 110.661 554.111 1.00 53.42 C ATOM 1012 CG2 VAL A 122 395.859 111.320 554.754 1.00 50.21 C ATOM 1013 H VAL A 122 396.646 108.056 555.451 1.00 0.00 H ATOM 1014 N THR A 123 392.882 107.860 556.151 1.00 67.41 N ATOM 1015 CA THR A 123 392.069 106.658 556.080 1.00 72.92 C ATOM 1016 C THR A 123 390.591 106.995 555.955 1.00 82.38 C ATOM 1017 O THR A 123 390.130 108.067 556.354 1.00 78.96 O ATOM 1018 CB THR A 123 392.272 105.756 557.310 1.00 68.73 C ATOM 1019 OG1 THR A 123 391.450 104.590 557.187 1.00 70.34 O ATOM 1020 CG2 THR A 123 391.899 106.494 558.584 1.00 65.21 C ATOM 1021 HG1 THR A 123 391.703 104.094 556.368 1.00 0.00 H ATOM 1022 H THR A 123 392.608 108.620 556.806 1.00 0.00 H ATOM 1023 N ARG A 124 389.857 106.040 555.390 1.00 93.12 N ATOM 1024 CA ARG A 124 388.403 106.059 555.355 1.00 98.13 C ATOM 1025 C ARG A 124 387.789 105.169 556.427 1.00103.30 C ATOM 1026 O ARG A 124 386.573 105.225 556.636 1.00113.38 O ATOM 1027 CB ARG A 124 387.916 105.624 553.969 1.00 97.25 C ATOM 1028 CG ARG A 124 388.386 106.551 552.861 1.00 95.75 C ATOM 1029 CD ARG A 124 388.693 105.799 551.573 1.00101.12 C ATOM 1030 NE ARG A 124 390.120 105.519 551.412 1.00102.54 N ATOM 1031 CZ ARG A 124 390.662 105.034 550.297 1.00 99.66 C ATOM 1032 NH1 ARG A 124 389.895 104.791 549.243 1.00 99.78 N ATOM 1033 NH2 ARG A 124 391.967 104.805 550.227 1.00 95.35 N ATOM 1034 HE ARG A 124 390.749 105.711 552.218 1.00 0.00 H ATOM 1035 HH12 ARG A 124 390.315 104.412 548.370 1.00 0.00 H ATOM 1036 HH11 ARG A 124 388.873 104.979 549.289 1.00 0.00 H ATOM 1037 HH22 ARG A 124 392.382 104.426 549.352 1.00 0.00 H ATOM 1038 HH21 ARG A 124 392.575 105.005 551.047 1.00 0.00 H ATOM 1039 H ARG A 124 390.349 105.237 554.950 1.00 0.00 H ATOM 1040 N ARG A 125 388.600 104.359 557.109 1.00 99.08 N ATOM 1041 CA ARG A 125 388.140 103.548 558.225 1.00 99.78 C ATOM 1042 C ARG A 125 388.246 104.338 559.529 1.00 95.00 C ATOM 1043 O ARG A 125 388.648 105.505 559.554 1.00 92.66 O ATOM 1044 CB ARG A 125 388.937 102.245 558.315 1.00102.13 C ATOM 1045 CG ARG A 125 389.091 101.488 557.010 1.00103.91 C ATOM 1046 CD ARG A 125 388.829 100.007 557.227 1.00110.09 C ATOM 1047 NE ARG A 125 387.459 99.766 557.669 1.00117.14 N ATOM 1048 CZ ARG A 125 386.717 98.740 557.268 1.00121.73 C ATOM 1049 NH1 ARG A 125 385.475 98.597 557.713 1.00120.34 N ATOM 1050 NH2 ARG A 125 387.220 97.852 556.422 1.00126.15 N ATOM 1051 HE ARG A 125 387.038 100.440 558.340 1.00 0.00 H ATOM 1052 HH12 ARG A 125 384.898 97.792 557.396 1.00 0.00 H ATOM 1053 HH11 ARG A 125 385.078 99.290 558.379 1.00 0.00 H ATOM 1054 HH22 ARG A 125 386.641 97.048 556.107 1.00 0.00 H ATOM 1055 HH21 ARG A 125 388.194 97.959 556.073 1.00 0.00 H ATOM 1056 H ARG A 125 389.601 104.305 556.832 1.00 0.00 H ATOM 1057 N GLU A 126 387.871 103.693 560.628 1.00 84.24 N ATOM 1058 CA GLU A 126 388.013 104.264 561.956 1.00 91.02 C ATOM 1059 C GLU A 126 389.492 104.469 562.273 1.00 92.07 C ATOM 1060 O GLU A 126 390.331 103.612 561.993 1.00 88.76 O ATOM 1061 CB GLU A 126 387.357 103.348 563.003 1.00101.04 C ATOM 1062 CG GLU A 126 385.919 102.841 562.679 1.00111.33 C ATOM 1063 CD GLU A 126 385.824 101.950 561.433 1.00120.60 C ATOM 1064 OE1 GLU A 126 386.881 101.541 560.910 1.00122.19 O ATOM 1065 OE2 GLU A 126 384.696 101.667 560.971 1.00125.36 O ATOM 1066 H GLU A 126 387.460 102.742 560.534 1.00 0.00 H ATOM 1067 N VAL A 127 389.810 105.630 562.851 1.00 97.96 N ATOM 1068 CA VAL A 127 391.211 105.996 563.063 1.00 98.39 C ATOM 1069 C VAL A 127 391.923 104.935 563.892 1.00 97.81 C ATOM 1070 O VAL A 127 393.104 104.641 563.669 1.00 93.67 O ATOM 1071 CB VAL A 127 391.310 107.389 563.715 1.00 99.90 C ATOM 1072 H VAL A 127 389.056 106.279 563.153 1.00 0.00 H ATOM 1073 N HIS A 128 391.207 104.332 564.841 1.00 96.97 N ATOM 1074 CA HIS A 128 391.767 103.287 565.691 1.00 90.48 C ATOM 1075 C HIS A 128 392.267 102.101 564.871 1.00 77.68 C ATOM 1076 O HIS A 128 393.408 101.653 565.035 1.00 74.22 O ATOM 1077 CB HIS A 128 390.701 102.843 566.694 1.00103.55 C ATOM 1078 CG HIS A 128 389.726 103.922 567.047 1.00113.59 C ATOM 1079 ND1 HIS A 128 388.623 104.208 566.273 1.00116.18 N ATOM 1080 CD2 HIS A 128 389.711 104.812 568.068 1.00116.42 C ATOM 1081 CE1 HIS A 128 387.960 105.214 566.813 1.00115.96 C ATOM 1082 NE2 HIS A 128 388.598 105.598 567.903 1.00115.36 N ATOM 1083 H HIS A 128 390.216 104.616 564.980 1.00 0.00 H ATOM 1084 N ILE A 129 391.419 101.578 563.981 1.00 76.94 N ATOM 1085 CA ILE A 129 391.773 100.388 563.208 1.00 88.03 C ATOM 1086 C ILE A 129 392.981 100.662 562.321 1.00 87.18 C ATOM 1087 O ILE A 129 393.941 99.884 562.296 1.00 89.37 O ATOM 1088 CB ILE A 129 390.566 99.908 562.382 1.00 93.59 C ATOM 1089 H ILE A 129 390.491 102.025 563.835 1.00 0.00 H ATOM 1090 N TYR A 130 392.947 101.766 561.570 1.00 80.23 N ATOM 1091 CA TYR A 130 394.060 102.090 560.681 1.00 78.52 C ATOM 1092 C TYR A 130 395.347 102.298 561.465 1.00 80.92 C ATOM 1093 O TYR A 130 396.416 101.844 561.043 1.00 78.35 O ATOM 1094 CB TYR A 130 393.737 103.333 559.846 1.00 78.12 C ATOM 1095 CG TYR A 130 394.742 103.600 558.741 1.00 77.30 C ATOM 1096 CD1 TYR A 130 395.007 102.637 557.774 1.00 80.83 C ATOM 1097 CD2 TYR A 130 395.414 104.815 558.655 1.00 82.58 C ATOM 1098 CE1 TYR A 130 395.919 102.871 556.758 1.00 84.22 C ATOM 1099 CE2 TYR A 130 396.328 105.060 557.638 1.00 81.14 C ATOM 1100 CZ TYR A 130 396.575 104.084 556.695 1.00 86.25 C ATOM 1101 OH TYR A 130 397.482 104.322 555.686 1.00 90.60 O ATOM 1102 HH TYR A 130 397.185 105.103 555.154 1.00 0.00 H ATOM 1103 H TYR A 130 392.123 102.399 561.618 1.00 0.00 H ATOM 1104 N TYR A 131 395.271 102.984 562.608 1.00 84.06 N ATOM 1105 CA TYR A 131 396.471 103.190 563.412 1.00 87.42 C ATOM 1106 C TYR A 131 397.089 101.858 563.816 1.00 86.12 C ATOM 1107 O TYR A 131 398.303 101.671 563.685 1.00 86.93 O ATOM 1108 CB TYR A 131 396.151 104.048 564.641 1.00 95.16 C ATOM 1109 CG TYR A 131 397.371 104.481 565.450 1.00100.78 C ATOM 1110 CD1 TYR A 131 398.223 103.544 566.029 1.00106.38 C ATOM 1111 CD2 TYR A 131 397.664 105.827 565.639 1.00 97.58 C ATOM 1112 CE1 TYR A 131 399.325 103.925 566.756 1.00105.53 C ATOM 1113 CE2 TYR A 131 398.772 106.222 566.375 1.00 99.63 C ATOM 1114 CZ TYR A 131 399.598 105.262 566.930 1.00104.83 C ATOM 1115 OH TYR A 131 400.704 105.628 567.662 1.00107.34 O ATOM 1116 HH TYR A 131 401.314 106.161 567.092 1.00 0.00 H ATOM 1117 H TYR A 131 394.359 103.371 562.924 1.00 0.00 H ATOM 1118 N LEU A 132 396.270 100.923 564.308 1.00 81.70 N ATOM 1119 CA LEU A 132 396.791 99.633 564.754 1.00 87.76 C ATOM 1120 C LEU A 132 397.643 98.974 563.677 1.00 88.19 C ATOM 1121 O LEU A 132 398.739 98.478 563.960 1.00 86.71 O ATOM 1122 CB LEU A 132 395.636 98.713 565.158 1.00 92.94 C ATOM 1123 H LEU A 132 395.250 101.116 564.374 1.00 0.00 H ATOM 1124 N GLU A 133 397.168 98.986 562.431 1.00 92.23 N ATOM 1125 CA GLU A 133 397.899 98.337 561.348 1.00 99.44 C ATOM 1126 C GLU A 133 399.211 99.052 561.045 1.00100.17 C ATOM 1127 O GLU A 133 400.238 98.403 560.825 1.00106.09 O ATOM 1128 CB GLU A 133 397.018 98.260 560.101 1.00101.76 C ATOM 1129 CG GLU A 133 395.569 97.917 560.414 1.00108.76 C ATOM 1130 CD GLU A 133 394.752 97.576 559.181 1.00115.81 C ATOM 1131 OE1 GLU A 133 393.567 97.215 559.339 1.00120.73 O ATOM 1132 OE2 GLU A 133 395.290 97.666 558.058 1.00118.17 O ATOM 1133 H GLU A 133 396.266 99.463 562.229 1.00 0.00 H ATOM 1134 N LYS A 134 399.204 100.386 561.028 1.00 95.67 N ATOM 1135 CA LYS A 134 400.436 101.114 560.734 1.00 95.61 C ATOM 1136 C LYS A 134 401.483 100.908 561.821 1.00 99.94 C ATOM 1137 O LYS A 134 402.684 100.915 561.530 1.00104.37 O ATOM 1138 CB LYS A 134 400.151 102.607 560.544 1.00 89.56 C ATOM 1139 CG LYS A 134 401.336 103.381 559.977 1.00 90.00 C ATOM 1140 CD LYS A 134 400.987 104.831 559.668 1.00 94.05 C ATOM 1141 CE LYS A 134 400.136 104.950 558.412 1.00 89.61 C ATOM 1142 NZ LYS A 134 400.918 104.682 557.174 1.00 79.72 N ATOM 1143 HZ1 LYS A 134 401.697 105.367 557.103 1.00 0.00 H ATOM 1144 HZ2 LYS A 134 401.305 103.717 557.212 1.00 0.00 H ATOM 1145 HZ3 LYS A 134 400.296 104.775 556.346 1.00 0.00 H ATOM 1146 H LYS A 134 398.325 100.906 561.223 1.00 0.00 H ATOM 1147 N ALA A 135 401.056 100.716 563.071 1.00102.33 N ATOM 1148 CA ALA A 135 402.013 100.478 564.147 1.00101.01 C ATOM 1149 C ALA A 135 402.727 99.144 563.962 1.00111.12 C ATOM 1150 O ALA A 135 403.962 99.086 563.943 1.00119.68 O ATOM 1151 CB ALA A 135 401.305 100.531 565.500 1.00 88.67 C ATOM 1152 H ALA A 135 400.037 100.736 563.279 1.00 0.00 H ATOM 1153 N ASN A 136 401.962 98.058 563.816 1.00108.09 N ATOM 1154 CA ASN A 136 402.569 96.740 563.663 1.00110.03 C ATOM 1155 C ASN A 136 403.337 96.618 562.353 1.00113.07 C ATOM 1156 O ASN A 136 404.357 95.921 562.300 1.00119.05 O ATOM 1157 CB ASN A 136 401.496 95.654 563.750 1.00110.20 C ATOM 1158 H ASN A 136 400.926 98.153 563.811 1.00 0.00 H ATOM 1159 N LYS A 137 402.872 97.284 561.294 1.00112.39 N ATOM 1160 CA LYS A 137 403.538 97.174 559.999 1.00116.71 C ATOM 1161 C LYS A 137 404.874 97.906 560.002 1.00125.15 C ATOM 1162 O LYS A 137 405.900 97.346 559.597 1.00131.62 O ATOM 1163 CB LYS A 137 402.631 97.712 558.892 1.00111.38 C ATOM 1164 H LYS A 137 402.029 97.886 561.392 1.00 0.00 H ATOM 1165 N ILE A 138 404.881 99.164 560.450 1.00126.17 N ATOM 1166 CA ILE A 138 406.123 99.932 560.480 1.00124.14 C ATOM 1167 C ILE A 138 407.119 99.296 561.440 1.00128.83 C ATOM 1168 O ILE A 138 408.319 99.212 561.147 1.00134.09 O ATOM 1169 CB ILE A 138 405.838 101.399 560.850 1.00117.32 C ATOM 1170 H ILE A 138 403.996 99.600 560.780 1.00 0.00 H ATOM 1171 N LYS A 139 406.641 98.857 562.608 1.00125.69 N ATOM 1172 CA LYS A 139 407.449 98.158 563.605 1.00128.72 C ATOM 1173 C LYS A 139 408.608 99.007 564.119 1.00126.17 C ATOM 1174 O LYS A 139 409.405 98.541 564.939 1.00130.93 O ATOM 1175 CB LYS A 139 407.974 96.836 563.038 1.00132.73 C ATOM 1176 H LYS A 139 405.636 99.022 562.820 1.00 0.00 H ATOM 1177 N SER A 140 408.711 100.248 563.651 1.00119.87 N ATOM 1178 CA SER A 140 409.739 101.165 564.124 1.00118.12 C ATOM 1179 C SER A 140 409.253 101.835 565.403 1.00117.45 C ATOM 1180 O SER A 140 408.239 102.540 565.394 1.00123.38 O ATOM 1181 CB SER A 140 410.065 102.205 563.055 1.00115.00 C ATOM 1182 OG SER A 140 410.328 101.593 561.803 1.00117.45 O ATOM 1183 HG SER A 140 409.531 101.082 561.513 1.00 0.00 H ATOM 1184 H SER A 140 408.039 100.573 562.927 1.00 0.00 H ATOM 1185 N GLU A 141 409.974 101.610 566.503 1.00108.65 N ATOM 1186 CA GLU A 141 409.537 102.143 567.788 1.00105.10 C ATOM 1187 C GLU A 141 409.604 103.665 567.827 1.00101.09 C ATOM 1188 O GLU A 141 408.840 104.296 568.566 1.00108.13 O ATOM 1189 CB GLU A 141 410.381 101.547 568.916 1.00106.78 C ATOM 1190 H GLU A 141 410.850 101.053 566.444 1.00 0.00 H ATOM 1191 N LYS A 142 410.490 104.271 567.038 1.00 92.85 N ATOM 1192 CA LYS A 142 410.741 105.703 567.137 1.00 89.79 C ATOM 1193 C LYS A 142 409.893 106.544 566.192 1.00 86.05 C ATOM 1194 O LYS A 142 409.661 107.724 566.481 1.00 83.73 O ATOM 1195 CB LYS A 142 412.222 105.996 566.873 1.00 89.31 C ATOM 1196 H LYS A 142 411.014 103.710 566.336 1.00 0.00 H ATOM 1197 N THR A 143 409.425 105.980 565.080 1.00 82.80 N ATOM 1198 CA THR A 143 408.709 106.766 564.081 1.00 79.64 C ATOM 1199 C THR A 143 407.356 107.217 564.623 1.00 77.62 C ATOM 1200 O THR A 143 406.526 106.390 565.016 1.00 82.25 O ATOM 1201 CB THR A 143 408.530 105.958 562.797 1.00 82.01 C ATOM 1202 OG1 THR A 143 409.813 105.538 562.312 1.00 86.93 O ATOM 1203 CG2 THR A 143 407.846 106.805 561.728 1.00 70.50 C ATOM 1204 HG1 THR A 143 409.695 105.015 561.480 1.00 0.00 H ATOM 1205 H THR A 143 409.572 104.963 564.921 1.00 0.00 H ATOM 1206 N HIS A 144 407.137 108.530 564.643 1.00 69.72 N ATOM 1207 CA HIS A 144 405.865 109.080 565.092 1.00 69.68 C ATOM 1208 C HIS A 144 404.783 108.836 564.048 1.00 73.52 C ATOM 1209 O HIS A 144 405.037 108.885 562.842 1.00 70.77 O ATOM 1210 CB HIS A 144 406.006 110.577 565.364 1.00 65.26 C ATOM 1211 CG HIS A 144 405.078 111.093 566.417 1.00 68.48 C ATOM 1212 ND1 HIS A 144 405.257 110.830 567.759 1.00 76.38 N ATOM 1213 CD2 HIS A 144 403.967 111.862 566.330 1.00 69.27 C ATOM 1214 CE1 HIS A 144 404.296 111.414 568.453 1.00 70.68 C ATOM 1215 NE2 HIS A 144 403.497 112.043 567.609 1.00 73.15 N ATOM 1216 H HIS A 144 407.890 109.177 564.332 1.00 0.00 H ATOM 1217 N ILE A 145 403.565 108.578 564.516 1.00 69.25 N ATOM 1218 CA ILE A 145 402.441 108.253 563.648 1.00 67.09 C ATOM 1219 C ILE A 145 401.356 109.305 563.847 1.00 63.19 C ATOM 1220 O ILE A 145 401.022 109.647 564.987 1.00 57.31 O ATOM 1221 CB ILE A 145 401.896 106.842 563.936 1.00 70.28 C ATOM 1222 CG1 ILE A 145 402.957 105.768 563.712 1.00 76.86 C ATOM 1223 CG2 ILE A 145 400.788 106.529 563.010 1.00 64.68 C ATOM 1224 CD1 ILE A 145 402.374 104.351 563.701 1.00 77.06 C ATOM 1225 H ILE A 145 403.409 108.610 565.544 1.00 0.00 H ATOM 1226 N HIS A 146 400.811 109.820 562.742 1.00 57.63 N ATOM 1227 CA HIS A 146 399.700 110.770 562.785 1.00 60.94 C ATOM 1228 C HIS A 146 398.664 110.362 561.747 1.00 67.96 C ATOM 1229 O HIS A 146 398.956 110.354 560.546 1.00 71.31 O ATOM 1230 CB HIS A 146 400.177 112.207 562.537 1.00 62.46 C ATOM 1231 CG HIS A 146 399.222 113.253 563.029 1.00 58.91 C ATOM 1232 ND1 HIS A 146 399.639 114.412 563.650 1.00 52.03 N ATOM 1233 CD2 HIS A 146 397.869 113.312 562.994 1.00 55.59 C ATOM 1234 CE1 HIS A 146 398.584 115.141 563.973 1.00 53.17 C ATOM 1235 NE2 HIS A 146 397.498 114.494 563.588 1.00 56.94 N ATOM 1236 H HIS A 146 401.191 109.535 561.817 1.00 0.00 H ATOM 1237 N ILE A 147 397.456 110.036 562.211 1.00 69.12 N ATOM 1238 CA ILE A 147 396.363 109.554 561.368 1.00 70.20 C ATOM 1239 C ILE A 147 395.336 110.664 561.206 1.00 65.61 C ATOM 1240 O ILE A 147 394.966 111.324 562.183 1.00 65.58 O ATOM 1241 CB ILE A 147 395.690 108.300 561.959 1.00 81.14 C ATOM 1242 CG1 ILE A 147 396.656 107.129 562.012 1.00 91.96 C ATOM 1243 CG2 ILE A 147 394.474 107.887 561.149 1.00 78.57 C ATOM 1244 CD1 ILE A 147 397.736 107.334 562.954 1.00 98.60 C ATOM 1245 H ILE A 147 397.282 110.130 563.232 1.00 0.00 H ATOM 1246 N PHE A 148 394.862 110.851 559.979 1.00 65.56 N ATOM 1247 CA PHE A 148 393.716 111.699 559.693 1.00 65.15 C ATOM 1248 C PHE A 148 392.645 110.871 558.997 1.00 72.98 C ATOM 1249 O PHE A 148 392.953 110.015 558.162 1.00 67.08 O ATOM 1250 CB PHE A 148 394.098 112.882 558.805 1.00 61.30 C ATOM 1251 CG PHE A 148 395.026 113.862 559.457 1.00 59.87 C ATOM 1252 CD1 PHE A 148 396.383 113.838 559.180 1.00 53.24 C ATOM 1253 CD2 PHE A 148 394.540 114.822 560.328 1.00 64.02 C ATOM 1254 CE1 PHE A 148 397.242 114.747 559.770 1.00 55.88 C ATOM 1255 CE2 PHE A 148 395.394 115.736 560.922 1.00 66.73 C ATOM 1256 CZ PHE A 148 396.748 115.698 560.641 1.00 63.53 C ATOM 1257 H PHE A 148 395.332 110.369 559.187 1.00 0.00 H ATOM 1258 N SER A 149 391.389 111.131 559.339 1.00 76.23 N ATOM 1259 CA SER A 149 390.259 110.490 558.687 1.00 75.36 C ATOM 1260 C SER A 149 389.474 111.514 557.877 1.00 67.60 C ATOM 1261 O SER A 149 389.592 112.726 558.077 1.00 63.72 O ATOM 1262 CB SER A 149 389.338 109.819 559.711 1.00 74.61 C ATOM 1263 OG SER A 149 388.360 110.730 560.179 1.00 74.46 O ATOM 1264 HG SER A 149 387.777 110.277 560.838 1.00 0.00 H ATOM 1265 H SER A 149 391.207 111.817 560.099 1.00 0.00 H ATOM 1266 N PHE A 150 388.662 111.005 556.954 1.00 69.41 N ATOM 1267 CA PHE A 150 387.786 111.849 556.152 1.00 73.06 C ATOM 1268 C PHE A 150 386.565 112.339 556.920 1.00 82.00 C ATOM 1269 O PHE A 150 385.753 113.076 556.351 1.00 89.96 O ATOM 1270 CB PHE A 150 387.337 111.094 554.898 1.00 71.69 C ATOM 1271 CG PHE A 150 388.375 111.048 553.815 1.00 74.08 C ATOM 1272 CD1 PHE A 150 389.326 110.042 553.792 1.00 73.32 C ATOM 1273 CD2 PHE A 150 388.399 112.011 552.819 1.00 70.53 C ATOM 1274 CE1 PHE A 150 390.282 109.998 552.797 1.00 66.98 C ATOM 1275 CE2 PHE A 150 389.353 111.972 551.822 1.00 68.20 C ATOM 1276 CZ PHE A 150 390.296 110.964 551.811 1.00 68.39 C ATOM 1277 H PHE A 150 388.652 109.976 556.801 1.00 0.00 H ATOM 1278 N THR A 151 386.410 111.952 558.187 1.00 79.11 N ATOM 1279 CA THR A 151 385.284 112.395 558.997 1.00 79.33 C ATOM 1280 C THR A 151 385.650 113.502 559.976 1.00 74.51 C ATOM 1281 O THR A 151 384.753 114.060 560.617 1.00 83.93 O ATOM 1282 CB THR A 151 384.683 111.214 559.772 1.00 83.84 C ATOM 1283 OG1 THR A 151 385.722 110.507 560.460 1.00 91.51 O ATOM 1284 CG2 THR A 151 383.979 110.263 558.824 1.00 80.40 C ATOM 1285 HG1 THR A 151 386.173 111.120 561.093 1.00 0.00 H ATOM 1286 H THR A 151 387.115 111.314 558.609 1.00 0.00 H ATOM 1287 N GLY A 152 386.931 113.832 560.109 1.00 68.42 N ATOM 1288 CA GLY A 152 387.366 114.890 560.995 1.00 73.48 C ATOM 1289 C GLY A 152 388.059 114.436 562.260 1.00 82.07 C ATOM 1290 O GLY A 152 388.358 115.277 563.116 1.00 91.69 O ATOM 1291 H GLY A 152 387.644 113.313 559.558 1.00 0.00 H ATOM 1292 N GLU A 153 388.319 113.145 562.411 1.00 77.34 N ATOM 1293 CA GLU A 153 389.009 112.623 563.578 1.00 76.20 C ATOM 1294 C GLU A 153 390.486 112.415 563.269 1.00 75.86 C ATOM 1295 O GLU A 153 390.875 112.176 562.123 1.00 77.90 O ATOM 1296 CB GLU A 153 388.379 111.309 564.043 1.00 85.45 C ATOM 1297 CG GLU A 153 386.870 111.382 564.225 1.00 96.67 C ATOM 1298 CD GLU A 153 386.159 110.160 563.681 1.00105.31 C ATOM 1299 OE1 GLU A 153 386.576 109.651 562.620 1.00107.72 O ATOM 1300 OE2 GLU A 153 385.182 109.709 564.315 1.00110.44 O ATOM 1301 H GLU A 153 388.018 112.482 561.668 1.00 0.00 H ATOM 1302 N GLU A 154 391.307 112.521 564.310 1.00 75.71 N ATOM 1303 CA GLU A 154 392.743 112.331 564.187 1.00 77.40 C ATOM 1304 C GLU A 154 393.252 111.595 565.418 1.00 79.12 C ATOM 1305 O GLU A 154 392.581 111.530 566.451 1.00 79.55 O ATOM 1306 CB GLU A 154 393.476 113.668 564.003 1.00 75.22 C ATOM 1307 CG GLU A 154 393.758 114.409 565.296 1.00 78.44 C ATOM 1308 CD GLU A 154 394.269 115.819 565.062 1.00 79.05 C ATOM 1309 OE1 GLU A 154 393.676 116.768 565.618 1.00 75.58 O ATOM 1310 OE2 GLU A 154 395.262 115.978 564.320 1.00 72.27 O ATOM 1311 H GLU A 154 390.908 112.747 565.243 1.00 0.00 H ATOM 1312 N MET A 155 394.454 111.034 565.293 1.00 82.15 N ATOM 1313 CA MET A 155 395.044 110.220 566.350 1.00 82.07 C ATOM 1314 C MET A 155 396.541 110.131 566.103 1.00 79.91 C ATOM 1315 O MET A 155 396.965 109.739 565.011 1.00 79.95 O ATOM 1316 CB MET A 155 394.410 108.823 566.379 1.00 88.88 C ATOM 1317 CG MET A 155 395.157 107.758 567.188 1.00 98.77 C ATOM 1318 SD MET A 155 394.310 106.164 567.011 1.00103.20 S ATOM 1319 CE MET A 155 395.347 105.025 567.929 1.00106.69 C ATOM 1320 H MET A 155 394.989 111.181 564.413 1.00 0.00 H ATOM 1321 N ALA A 156 397.332 110.500 567.107 1.00 71.51 N ATOM 1322 CA ALA A 156 398.779 110.536 566.975 1.00 71.02 C ATOM 1323 C ALA A 156 399.429 109.784 568.128 1.00 73.41 C ATOM 1324 O ALA A 156 398.805 109.518 569.158 1.00 72.52 O ATOM 1325 CB ALA A 156 399.307 111.978 566.920 1.00 57.27 C ATOM 1326 H ALA A 156 396.902 110.771 568.014 1.00 0.00 H ATOM 1327 N THR A 157 400.702 109.445 567.933 1.00 74.57 N ATOM 1328 CA THR A 157 401.449 108.704 568.939 1.00 78.11 C ATOM 1329 C THR A 157 401.585 109.521 570.216 1.00 78.15 C ATOM 1330 O THR A 157 401.865 110.723 570.178 1.00 69.04 O ATOM 1331 CB THR A 157 402.833 108.332 568.403 1.00 71.29 C ATOM 1332 OG1 THR A 157 402.704 107.788 567.085 1.00 64.47 O ATOM 1333 CG2 THR A 157 403.502 107.306 569.304 1.00 73.74 C ATOM 1334 HG1 THR A 157 402.134 106.979 567.117 1.00 0.00 H ATOM 1335 H THR A 157 401.171 109.715 567.045 1.00 0.00 H ATOM 1336 N LYS A 158 401.366 108.856 571.353 1.00 81.45 N ATOM 1337 CA LYS A 158 401.499 109.460 572.679 1.00 82.35 C ATOM 1338 C LYS A 158 400.615 110.693 572.840 1.00 77.38 C ATOM 1339 O LYS A 158 400.916 111.576 573.651 1.00 76.26 O ATOM 1340 CB LYS A 158 402.960 109.810 572.984 1.00 68.46 C ATOM 1341 H LYS A 158 401.086 107.856 571.293 1.00 0.00 H ATOM 1342 N ALA A 159 399.527 110.766 572.072 1.00 73.83 N ATOM 1343 CA ALA A 159 398.626 111.916 572.052 1.00 71.66 C ATOM 1344 C ALA A 159 399.357 113.225 571.752 1.00 70.34 C ATOM 1345 O ALA A 159 398.882 114.301 572.128 1.00 70.75 O ATOM 1346 CB ALA A 159 397.844 112.032 573.369 1.00 69.92 C ATOM 1347 H ALA A 159 399.308 109.960 571.453 1.00 0.00 H ATOM 1348 N ASP A 160 400.512 113.157 571.082 1.00 62.78 N ATOM 1349 CA ASP A 160 401.300 114.335 570.729 1.00 64.81 C ATOM 1350 C ASP A 160 401.024 114.654 569.263 1.00 66.35 C ATOM 1351 O ASP A 160 401.454 113.920 568.367 1.00 58.39 O ATOM 1352 CB ASP A 160 402.791 114.097 570.977 1.00 74.12 C ATOM 1353 CG ASP A 160 403.650 115.347 570.735 1.00 85.28 C ATOM 1354 OD1 ASP A 160 403.156 116.327 570.138 1.00 85.66 O ATOM 1355 OD2 ASP A 160 404.836 115.338 571.131 1.00 91.02 O ATOM 1356 H ASP A 160 400.866 112.221 570.799 1.00 0.00 H ATOM 1357 N TYR A 161 400.324 115.759 569.024 1.00 66.64 N ATOM 1358 CA TYR A 161 399.828 116.111 567.701 1.00 64.77 C ATOM 1359 C TYR A 161 400.738 117.076 566.951 1.00 63.10 C ATOM 1360 O TYR A 161 400.339 117.584 565.898 1.00 61.47 O ATOM 1361 CB TYR A 161 398.403 116.672 567.832 1.00 63.82 C ATOM 1362 CG TYR A 161 397.442 115.625 568.362 1.00 71.70 C ATOM 1363 CD1 TYR A 161 396.731 114.810 567.492 1.00 70.79 C ATOM 1364 CD2 TYR A 161 397.274 115.426 569.730 1.00 80.15 C ATOM 1365 CE1 TYR A 161 395.869 113.833 567.965 1.00 65.37 C ATOM 1366 CE2 TYR A 161 396.409 114.448 570.215 1.00 78.96 C ATOM 1367 CZ TYR A 161 395.709 113.656 569.324 1.00 75.16 C ATOM 1368 OH TYR A 161 394.850 112.686 569.796 1.00 73.35 O ATOM 1369 HH TYR A 161 394.434 112.215 569.031 1.00 0.00 H ATOM 1370 H TYR A 161 400.122 116.400 569.817 1.00 0.00 H ATOM 1371 N THR A 162 401.948 117.322 567.459 1.00 64.37 N ATOM 1372 CA THR A 162 402.986 118.079 566.759 1.00 60.08 C ATOM 1373 C THR A 162 402.572 119.514 566.455 1.00 59.60 C ATOM 1374 O THR A 162 403.168 120.459 566.979 1.00 63.89 O ATOM 1375 CB THR A 162 403.389 117.368 565.462 1.00 64.08 C ATOM 1376 OG1 THR A 162 403.730 116.005 565.747 1.00 70.02 O ATOM 1377 CG2 THR A 162 404.578 118.061 564.814 1.00 62.35 C ATOM 1378 HG1 THR A 162 403.990 115.549 564.908 1.00 0.00 H ATOM 1379 H THR A 162 402.165 116.954 568.407 1.00 0.00 H ATOM 1380 N LEU A 163 401.565 119.693 565.610 1.00 63.64 N ATOM 1381 CA LEU A 163 401.126 121.020 565.209 1.00 61.20 C ATOM 1382 C LEU A 163 400.091 121.570 566.189 1.00 62.64 C ATOM 1383 O LEU A 163 399.521 120.845 567.005 1.00 76.53 O ATOM 1384 CB LEU A 163 400.552 120.982 563.790 1.00 58.40 C ATOM 1385 CG LEU A 163 401.426 120.371 562.685 1.00 61.80 C ATOM 1386 CD1 LEU A 163 400.631 120.216 561.395 1.00 57.31 C ATOM 1387 CD2 LEU A 163 402.679 121.203 562.440 1.00 58.82 C ATOM 1388 H LEU A 163 401.076 118.861 565.223 1.00 0.00 H ATOM 1389 N ASP A 164 399.859 122.879 566.106 1.00 63.12 N ATOM 1390 CA ASP A 164 398.775 123.488 566.861 1.00 65.45 C ATOM 1391 C ASP A 164 397.435 123.209 566.182 1.00 68.56 C ATOM 1392 O ASP A 164 397.367 122.787 565.028 1.00 72.37 O ATOM 1393 CB ASP A 164 399.004 124.995 567.051 1.00 73.57 C ATOM 1394 CG ASP A 164 399.189 125.750 565.741 1.00 85.80 C ATOM 1395 OD1 ASP A 164 398.956 125.178 564.652 1.00 86.29 O ATOM 1396 OD2 ASP A 164 399.582 126.935 565.809 1.00 92.16 O ATOM 1397 H ASP A 164 400.458 123.471 565.496 1.00 0.00 H ATOM 1398 N GLU A 165 396.358 123.457 566.929 1.00 66.64 N ATOM 1399 CA GLU A 165 395.035 122.980 566.532 1.00 64.74 C ATOM 1400 C GLU A 165 394.611 123.538 565.178 1.00 61.55 C ATOM 1401 O GLU A 165 393.961 122.842 564.390 1.00 63.77 O ATOM 1402 CB GLU A 165 394.006 123.340 567.607 1.00 61.46 C ATOM 1403 H GLU A 165 396.462 124.000 567.810 1.00 0.00 H ATOM 1404 N GLU A 166 394.976 124.788 564.885 1.00 61.62 N ATOM 1405 CA GLU A 166 394.485 125.435 563.671 1.00 63.15 C ATOM 1406 C GLU A 166 395.089 124.811 562.418 1.00 63.53 C ATOM 1407 O GLU A 166 394.406 124.675 561.396 1.00 61.30 O ATOM 1408 CB GLU A 166 394.776 126.935 563.724 1.00 71.16 C ATOM 1409 CG GLU A 166 394.348 127.602 565.024 1.00 83.98 C ATOM 1410 CD GLU A 166 395.461 127.646 566.056 1.00 90.97 C ATOM 1411 OE1 GLU A 166 396.145 126.617 566.240 1.00 90.94 O ATOM 1412 OE2 GLU A 166 395.650 128.710 566.682 1.00 95.78 O ATOM 1413 H GLU A 166 395.613 125.304 565.525 1.00 0.00 H ATOM 1414 N SER A 167 396.367 124.428 562.473 1.00 61.60 N ATOM 1415 CA SER A 167 396.985 123.779 561.321 1.00 58.87 C ATOM 1416 C SER A 167 396.361 122.415 561.061 1.00 57.41 C ATOM 1417 O SER A 167 396.223 122.000 559.905 1.00 50.02 O ATOM 1418 CB SER A 167 398.492 123.648 561.535 1.00 56.19 C ATOM 1419 OG SER A 167 399.127 124.914 561.506 1.00 60.76 O ATOM 1420 HG SER A 167 400.100 124.797 561.647 1.00 0.00 H ATOM 1421 H SER A 167 396.922 124.592 563.337 1.00 0.00 H ATOM 1422 N ARG A 168 395.974 121.703 562.122 1.00 56.37 N ATOM 1423 CA ARG A 168 395.325 120.410 561.938 1.00 55.58 C ATOM 1424 C ARG A 168 393.890 120.581 561.455 1.00 58.53 C ATOM 1425 O ARG A 168 393.420 119.815 560.605 1.00 56.07 O ATOM 1426 CB ARG A 168 395.366 119.610 563.240 1.00 60.12 C ATOM 1427 CG ARG A 168 396.736 119.032 563.566 1.00 61.42 C ATOM 1428 CD ARG A 168 397.092 119.247 565.027 1.00 62.01 C ATOM 1429 NE ARG A 168 396.136 118.602 565.921 1.00 65.58 N ATOM 1430 CZ ARG A 168 395.972 118.931 567.198 1.00 67.84 C ATOM 1431 NH1 ARG A 168 396.704 119.897 567.733 1.00 67.84 N ATOM 1432 NH2 ARG A 168 395.079 118.290 567.940 1.00 72.14 N ATOM 1433 HE ARG A 168 395.546 117.837 565.535 1.00 0.00 H ATOM 1434 HH12 ARG A 168 396.575 120.154 568.732 1.00 0.00 H ATOM 1435 HH11 ARG A 168 397.407 120.398 567.154 1.00 0.00 H ATOM 1436 HH22 ARG A 168 394.952 118.548 568.939 1.00 0.00 H ATOM 1437 HH21 ARG A 168 394.506 117.529 567.523 1.00 0.00 H ATOM 1438 H ARG A 168 396.136 122.071 563.081 1.00 0.00 H ATOM 1439 N ALA A 169 393.181 121.584 561.983 1.00 59.93 N ATOM 1440 CA ALA A 169 391.805 121.825 561.562 1.00 58.57 C ATOM 1441 C ALA A 169 391.722 122.165 560.079 1.00 55.26 C ATOM 1442 O ALA A 169 390.748 121.798 559.412 1.00 56.22 O ATOM 1443 CB ALA A 169 391.188 122.945 562.403 1.00 53.97 C ATOM 1444 H ALA A 169 393.615 122.199 562.701 1.00 0.00 H ATOM 1445 N ARG A 170 392.728 122.862 559.548 1.00 57.80 N ATOM 1446 CA ARG A 170 392.755 123.147 558.116 1.00 62.58 C ATOM 1447 C ARG A 170 392.845 121.862 557.302 1.00 57.72 C ATOM 1448 O ARG A 170 392.211 121.738 556.248 1.00 54.26 O ATOM 1449 CB ARG A 170 393.926 124.073 557.791 1.00 68.10 C ATOM 1450 CG ARG A 170 393.556 125.265 556.929 1.00 84.27 C ATOM 1451 CD ARG A 170 394.717 126.237 556.818 1.00 93.81 C ATOM 1452 NE ARG A 170 395.925 125.585 556.320 1.00 97.42 N ATOM 1453 CZ ARG A 170 396.242 125.480 555.033 1.00 93.88 C ATOM 1454 NH1 ARG A 170 397.362 124.869 554.673 1.00 89.30 N ATOM 1455 NH2 ARG A 170 395.438 125.986 554.107 1.00 96.59 N ATOM 1456 HE ARG A 170 396.580 125.176 557.017 1.00 0.00 H ATOM 1457 HH12 ARG A 170 397.609 124.787 553.666 1.00 0.00 H ATOM 1458 HH11 ARG A 170 397.993 124.471 555.397 1.00 0.00 H ATOM 1459 HH22 ARG A 170 395.687 125.903 553.101 1.00 0.00 H ATOM 1460 HH21 ARG A 170 394.559 126.465 554.387 1.00 0.00 H ATOM 1461 H ARG A 170 393.498 123.204 560.158 1.00 0.00 H ATOM 1462 N ILE A 171 393.629 120.894 557.780 1.00 57.33 N ATOM 1463 CA ILE A 171 393.749 119.619 557.080 1.00 58.11 C ATOM 1464 C ILE A 171 392.425 118.864 557.108 1.00 61.88 C ATOM 1465 O ILE A 171 391.984 118.318 556.088 1.00 61.00 O ATOM 1466 CB ILE A 171 394.892 118.788 557.692 1.00 58.06 C ATOM 1467 CG1 ILE A 171 396.250 119.375 557.297 1.00 58.50 C ATOM 1468 CG2 ILE A 171 394.785 117.332 557.270 1.00 55.53 C ATOM 1469 CD1 ILE A 171 397.430 118.691 557.956 1.00 56.62 C ATOM 1470 H ILE A 171 394.160 121.050 558.661 1.00 0.00 H ATOM 1471 N LYS A 172 391.768 118.823 558.271 1.00 58.44 N ATOM 1472 CA LYS A 172 390.506 118.096 558.386 1.00 57.84 C ATOM 1473 C LYS A 172 389.420 118.724 557.521 1.00 55.91 C ATOM 1474 O LYS A 172 388.577 118.012 556.962 1.00 49.91 O ATOM 1475 CB LYS A 172 390.052 118.047 559.845 1.00 54.16 C ATOM 1476 CG LYS A 172 391.060 117.458 560.815 1.00 56.84 C ATOM 1477 CD LYS A 172 390.710 117.848 562.243 1.00 60.79 C ATOM 1478 CE LYS A 172 391.432 116.977 563.256 1.00 64.51 C ATOM 1479 NZ LYS A 172 391.294 117.512 564.642 1.00 65.49 N ATOM 1480 HZ1 LYS A 172 391.699 118.469 564.685 1.00 0.00 H ATOM 1481 HZ2 LYS A 172 390.287 117.548 564.900 1.00 0.00 H ATOM 1482 HZ3 LYS A 172 391.800 116.890 565.304 1.00 0.00 H ATOM 1483 H LYS A 172 392.158 119.313 559.101 1.00 0.00 H ATOM 1484 N THR A 173 389.414 120.056 557.415 1.00 57.09 N ATOM 1485 CA THR A 173 388.453 120.732 556.548 1.00 61.29 C ATOM 1486 C THR A 173 388.655 120.329 555.093 1.00 51.94 C ATOM 1487 O THR A 173 387.695 120.003 554.385 1.00 48.02 O ATOM 1488 CB THR A 173 388.580 122.249 556.703 1.00 65.68 C ATOM 1489 OG1 THR A 173 388.225 122.631 558.039 1.00 62.18 O ATOM 1490 CG2 THR A 173 387.675 122.968 555.707 1.00 64.14 C ATOM 1491 HG1 THR A 173 388.831 122.183 558.681 1.00 0.00 H ATOM 1492 H THR A 173 390.102 120.618 557.956 1.00 0.00 H ATOM 1493 N ARG A 174 389.906 120.343 554.631 1.00 49.14 N ATOM 1494 CA ARG A 174 390.192 119.942 553.258 1.00 48.73 C ATOM 1495 C ARG A 174 389.783 118.495 553.013 1.00 54.46 C ATOM 1496 O ARG A 174 389.221 118.170 551.960 1.00 53.00 O ATOM 1497 CB ARG A 174 391.677 120.144 552.956 1.00 45.03 C ATOM 1498 CG ARG A 174 392.120 119.600 551.609 1.00 52.13 C ATOM 1499 CD ARG A 174 391.452 120.336 550.458 1.00 53.14 C ATOM 1500 NE ARG A 174 392.005 119.925 549.171 1.00 64.29 N ATOM 1501 CZ ARG A 174 391.352 119.994 548.016 1.00 60.53 C ATOM 1502 NH1 ARG A 174 390.112 120.465 547.976 1.00 58.65 N ATOM 1503 NH2 ARG A 174 391.940 119.591 546.898 1.00 62.81 N ATOM 1504 HE ARG A 174 392.976 119.553 549.157 1.00 0.00 H ATOM 1505 HH12 ARG A 174 389.605 120.517 547.070 1.00 0.00 H ATOM 1506 HH11 ARG A 174 389.648 120.782 548.851 1.00 0.00 H ATOM 1507 HH22 ARG A 174 391.430 119.645 545.993 1.00 0.00 H ATOM 1508 HH21 ARG A 174 392.912 119.221 546.926 1.00 0.00 H ATOM 1509 H ARG A 174 390.683 120.642 555.254 1.00 0.00 H ATOM 1510 N LEU A 175 390.040 117.614 553.985 1.00 61.92 N ATOM 1511 CA LEU A 175 389.675 116.209 553.829 1.00 66.38 C ATOM 1512 C LEU A 175 388.168 116.039 553.682 1.00 65.69 C ATOM 1513 O LEU A 175 387.704 115.231 552.870 1.00 62.55 O ATOM 1514 CB LEU A 175 390.190 115.400 555.017 1.00 66.09 C ATOM 1515 CG LEU A 175 391.680 115.069 555.012 1.00 57.89 C ATOM 1516 CD1 LEU A 175 392.014 114.146 556.170 1.00 58.72 C ATOM 1517 CD2 LEU A 175 392.065 114.431 553.694 1.00 51.26 C ATOM 1518 H LEU A 175 390.504 117.932 554.860 1.00 0.00 H ATOM 1519 N PHE A 176 387.386 116.792 554.459 1.00 64.06 N ATOM 1520 CA PHE A 176 385.936 116.678 554.350 1.00 65.62 C ATOM 1521 C PHE A 176 385.418 117.313 553.067 1.00 62.78 C ATOM 1522 O PHE A 176 384.392 116.877 552.534 1.00 60.66 O ATOM 1523 CB PHE A 176 385.255 117.310 555.565 1.00 63.50 C ATOM 1524 CG PHE A 176 383.876 116.775 555.826 1.00 67.21 C ATOM 1525 CD1 PHE A 176 383.692 115.645 556.607 1.00 70.76 C ATOM 1526 CD2 PHE A 176 382.763 117.394 555.279 1.00 74.41 C ATOM 1527 CE1 PHE A 176 382.424 115.148 556.844 1.00 79.51 C ATOM 1528 CE2 PHE A 176 381.492 116.901 555.511 1.00 77.49 C ATOM 1529 CZ PHE A 176 381.323 115.776 556.293 1.00 81.38 C ATOM 1530 H PHE A 176 387.808 117.456 555.138 1.00 0.00 H ATOM 1531 N THR A 177 386.102 118.342 552.562 1.00 58.12 N ATOM 1532 CA THR A 177 385.707 118.929 551.286 1.00 58.32 C ATOM 1533 C THR A 177 385.914 117.942 550.145 1.00 58.49 C ATOM 1534 O THR A 177 385.055 117.813 549.264 1.00 55.34 O ATOM 1535 CB THR A 177 386.490 120.218 551.031 1.00 56.67 C ATOM 1536 OG1 THR A 177 386.076 121.220 551.968 1.00 55.15 O ATOM 1537 CG2 THR A 177 386.250 120.724 549.610 1.00 48.85 C ATOM 1538 HG1 THR A 177 386.252 120.902 552.889 1.00 0.00 H ATOM 1539 H THR A 177 386.918 118.726 553.079 1.00 0.00 H ATOM 1540 N ILE A 178 387.046 117.233 550.150 1.00 52.56 N ATOM 1541 CA ILE A 178 387.301 116.221 549.130 1.00 58.71 C ATOM 1542 C ILE A 178 386.198 115.173 549.138 1.00 66.56 C ATOM 1543 O ILE A 178 385.686 114.779 548.083 1.00 60.57 O ATOM 1544 CB ILE A 178 388.690 115.588 549.343 1.00 57.96 C ATOM 1545 CG1 ILE A 178 389.790 116.534 548.858 1.00 61.16 C ATOM 1546 CG2 ILE A 178 388.787 114.247 548.629 1.00 59.44 C ATOM 1547 CD1 ILE A 178 391.129 116.309 549.523 1.00 57.21 C ATOM 1548 H ILE A 178 387.755 117.405 550.891 1.00 0.00 H ATOM 1549 N ARG A 179 385.795 114.724 550.328 1.00 67.06 N ATOM 1550 CA ARG A 179 384.772 113.689 550.416 1.00 71.11 C ATOM 1551 C ARG A 179 383.425 114.191 549.906 1.00 70.08 C ATOM 1552 O ARG A 179 382.695 113.449 549.238 1.00 69.34 O ATOM 1553 CB ARG A 179 384.665 113.190 551.856 1.00 72.12 C ATOM 1554 CG ARG A 179 383.256 112.900 552.322 1.00 78.17 C ATOM 1555 CD ARG A 179 383.281 112.069 553.587 1.00 81.34 C ATOM 1556 NE ARG A 179 381.962 111.960 554.196 1.00 86.09 N ATOM 1557 CZ ARG A 179 381.702 111.228 555.272 1.00 96.24 C ATOM 1558 NH1 ARG A 179 382.674 110.539 555.853 1.00101.61 N ATOM 1559 NH2 ARG A 179 380.473 111.182 555.765 1.00 99.35 N ATOM 1560 HE ARG A 179 381.178 112.487 553.762 1.00 0.00 H ATOM 1561 HH12 ARG A 179 382.472 109.965 556.696 1.00 0.00 H ATOM 1562 HH11 ARG A 179 383.639 110.573 555.466 1.00 0.00 H ATOM 1563 HH22 ARG A 179 380.272 110.607 556.608 1.00 0.00 H ATOM 1564 HH21 ARG A 179 379.709 111.720 555.309 1.00 0.00 H ATOM 1565 H ARG A 179 386.213 115.114 551.197 1.00 0.00 H ATOM 1566 N GLN A 180 383.080 115.448 550.202 1.00 68.13 N ATOM 1567 CA GLN A 180 381.839 116.013 549.676 1.00 71.71 C ATOM 1568 C GLN A 180 381.867 116.091 548.153 1.00 64.71 C ATOM 1569 O GLN A 180 380.850 115.853 547.491 1.00 62.73 O ATOM 1570 CB GLN A 180 381.593 117.402 550.264 1.00 70.18 C ATOM 1571 CG GLN A 180 381.341 117.437 551.758 1.00 75.50 C ATOM 1572 CD GLN A 180 380.960 118.825 552.235 1.00 71.76 C ATOM 1573 OE1 GLN A 180 381.770 119.531 552.835 1.00 74.10 O ATOM 1574 NE2 GLN A 180 379.722 119.224 551.966 1.00 69.08 N ATOM 1575 HE22 GLN A 180 379.071 118.593 551.456 1.00 0.00 H ATOM 1576 HE21 GLN A 180 379.403 120.168 552.265 1.00 0.00 H ATOM 1577 H GLN A 180 383.697 116.026 550.808 1.00 0.00 H ATOM 1578 N GLU A 181 383.023 116.435 547.581 1.00 60.42 N ATOM 1579 CA GLU A 181 383.116 116.582 546.133 1.00 60.49 C ATOM 1580 C GLU A 181 382.931 115.245 545.426 1.00 66.97 C ATOM 1581 O GLU A 181 382.291 115.178 544.370 1.00 71.47 O ATOM 1582 CB GLU A 181 384.455 117.214 545.759 1.00 56.92 C ATOM 1583 CG GLU A 181 384.547 118.701 546.068 1.00 70.54 C ATOM 1584 CD GLU A 181 383.441 119.505 545.409 1.00 85.56 C ATOM 1585 OE1 GLU A 181 383.577 119.837 544.213 1.00 90.62 O ATOM 1586 OE2 GLU A 181 382.436 119.805 546.088 1.00 91.66 O ATOM 1587 H GLU A 181 383.863 116.599 548.172 1.00 0.00 H ATOM 1588 N MET A 182 383.480 114.168 545.993 1.00 65.26 N ATOM 1589 CA MET A 182 383.275 112.845 545.411 1.00 69.37 C ATOM 1590 C MET A 182 381.847 112.365 545.621 1.00 71.75 C ATOM 1591 O MET A 182 381.275 111.702 544.748 1.00 73.63 O ATOM 1592 CB MET A 182 384.265 111.849 546.008 1.00 65.31 C ATOM 1593 CG MET A 182 385.662 112.396 546.132 1.00 70.99 C ATOM 1594 SD MET A 182 386.903 111.099 546.126 1.00 84.01 S ATOM 1595 CE MET A 182 387.005 110.764 547.866 1.00 83.10 C ATOM 1596 H MET A 182 384.056 114.272 546.853 1.00 0.00 H ATOM 1597 N ALA A 183 381.258 112.681 546.777 1.00 75.85 N ATOM 1598 CA ALA A 183 379.877 112.286 547.031 1.00 76.85 C ATOM 1599 C ALA A 183 378.922 112.980 546.070 1.00 75.79 C ATOM 1600 O ALA A 183 377.943 112.379 545.613 1.00 77.47 O ATOM 1601 CB ALA A 183 379.502 112.589 548.481 1.00 76.68 C ATOM 1602 H ALA A 183 381.786 113.211 547.499 1.00 0.00 H ATOM 1603 N SER A 184 379.198 114.245 545.740 1.00 76.87 N ATOM 1604 CA SER A 184 378.352 114.969 544.799 1.00 84.27 C ATOM 1605 C SER A 184 378.448 114.402 543.388 1.00 83.77 C ATOM 1606 O SER A 184 377.555 114.649 542.569 1.00 85.94 O ATOM 1607 CB SER A 184 378.721 116.454 544.797 1.00 87.14 C ATOM 1608 OG SER A 184 378.485 117.043 543.529 1.00 84.97 O ATOM 1609 HG SER A 184 377.526 116.956 543.300 1.00 0.00 H ATOM 1610 H SER A 184 380.024 114.718 546.159 1.00 0.00 H ATOM 1611 N ARG A 185 379.507 113.651 543.085 1.00 75.91 N ATOM 1612 CA ARG A 185 379.656 112.973 541.804 1.00 74.92 C ATOM 1613 C ARG A 185 379.498 111.462 541.920 1.00 79.41 C ATOM 1614 O ARG A 185 379.843 110.740 540.979 1.00 81.31 O ATOM 1615 CB ARG A 185 381.009 113.312 541.175 1.00 68.66 C ATOM 1616 CG ARG A 185 381.408 114.768 541.312 1.00 65.31 C ATOM 1617 CD ARG A 185 382.896 114.954 541.076 1.00 64.89 C ATOM 1618 NE ARG A 185 383.192 116.225 540.422 1.00 67.76 N ATOM 1619 CZ ARG A 185 383.263 117.391 541.057 1.00 68.06 C ATOM 1620 NH1 ARG A 185 383.055 117.450 542.367 1.00 62.95 N ATOM 1621 NH2 ARG A 185 383.540 118.499 540.381 1.00 64.11 N ATOM 1622 HE ARG A 185 383.358 116.218 539.395 1.00 0.00 H ATOM 1623 HH12 ARG A 185 383.111 118.363 542.862 1.00 0.00 H ATOM 1624 HH11 ARG A 185 382.836 116.583 542.898 1.00 0.00 H ATOM 1625 HH22 ARG A 185 383.596 119.411 540.878 1.00 0.00 H ATOM 1626 HH21 ARG A 185 383.702 118.455 539.355 1.00 0.00 H ATOM 1627 H ARG A 185 380.260 113.544 543.794 1.00 0.00 H ATOM 1628 N SER A 186 378.998 110.971 543.056 1.00 78.37 N ATOM 1629 CA SER A 186 378.682 109.559 543.273 1.00 83.98 C ATOM 1630 C SER A 186 379.912 108.656 543.213 1.00 84.35 C ATOM 1631 O SER A 186 379.792 107.460 542.927 1.00 90.06 O ATOM 1632 CB SER A 186 377.623 109.066 542.279 1.00 88.45 C ATOM 1633 OG SER A 186 376.536 109.970 542.203 1.00 90.17 O ATOM 1634 HG SER A 186 375.869 109.629 541.556 1.00 0.00 H ATOM 1635 H SER A 186 378.822 111.635 543.837 1.00 0.00 H ATOM 1636 N LEU A 187 381.097 109.195 543.486 1.00 75.80 N ATOM 1637 CA LEU A 187 382.317 108.400 543.524 1.00 73.74 C ATOM 1638 C LEU A 187 382.788 108.105 544.939 1.00 75.59 C ATOM 1639 O LEU A 187 383.797 107.413 545.109 1.00 73.56 O ATOM 1640 CB LEU A 187 383.437 109.103 542.750 1.00 74.40 C ATOM 1641 CG LEU A 187 383.037 109.788 541.443 1.00 71.79 C ATOM 1642 CD1 LEU A 187 384.120 110.757 541.006 1.00 69.66 C ATOM 1643 CD2 LEU A 187 382.756 108.752 540.358 1.00 69.28 C ATOM 1644 H LEU A 187 381.154 110.215 543.678 1.00 0.00 H ATOM 1645 N TRP A 188 382.086 108.609 545.956 1.00 79.31 N ATOM 1646 CA TRP A 188 382.518 108.384 547.332 1.00 79.29 C ATOM 1647 C TRP A 188 382.333 106.929 547.739 1.00 85.14 C ATOM 1648 O TRP A 188 383.219 106.332 548.362 1.00 84.13 O ATOM 1649 CB TRP A 188 381.754 109.298 548.288 1.00 75.34 C ATOM 1650 CG TRP A 188 382.046 108.970 549.713 1.00 75.67 C ATOM 1651 CD1 TRP A 188 381.204 108.386 550.614 1.00 81.68 C ATOM 1652 CD2 TRP A 188 383.283 109.182 550.400 1.00 74.66 C ATOM 1653 NE1 TRP A 188 381.838 108.231 551.823 1.00 81.16 N ATOM 1654 CE2 TRP A 188 383.117 108.712 551.717 1.00 76.51 C ATOM 1655 CE3 TRP A 188 384.515 109.730 550.030 1.00 72.90 C ATOM 1656 CZ2 TRP A 188 384.136 108.774 552.665 1.00 75.15 C ATOM 1657 CZ3 TRP A 188 385.524 109.791 550.971 1.00 72.16 C ATOM 1658 CH2 TRP A 188 385.330 109.316 552.273 1.00 70.49 C ATOM 1659 HE1 TRP A 188 381.416 107.817 552.679 1.00 0.00 H ATOM 1660 H TRP A 188 381.227 109.165 545.767 1.00 0.00 H ATOM 1661 N ASP A 189 381.179 106.345 547.404 1.00 90.88 N ATOM 1662 CA ASP A 189 380.892 104.971 547.805 1.00 95.65 C ATOM 1663 C ASP A 189 381.944 104.009 547.266 1.00 92.45 C ATOM 1664 O ASP A 189 382.459 103.158 548.001 1.00 91.02 O ATOM 1665 CB ASP A 189 379.497 104.567 547.328 1.00102.47 C ATOM 1666 CG ASP A 189 378.399 105.069 548.246 1.00111.30 C ATOM 1667 OD1 ASP A 189 378.693 105.361 549.424 1.00113.48 O ATOM 1668 OD2 ASP A 189 377.241 105.169 547.789 1.00116.09 O ATOM 1669 H ASP A 189 380.476 106.876 546.851 1.00 0.00 H ATOM 1670 N SER A 190 382.281 104.135 545.980 1.00 89.16 N ATOM 1671 CA SER A 190 383.304 103.273 545.401 1.00 89.56 C ATOM 1672 C SER A 190 384.677 103.549 545.999 1.00 89.62 C ATOM 1673 O SER A 190 385.509 102.639 546.085 1.00 92.09 O ATOM 1674 CB SER A 190 383.342 103.449 543.884 1.00 91.21 C ATOM 1675 OG SER A 190 384.510 102.863 543.336 1.00 94.74 O ATOM 1676 HG SER A 190 385.310 103.296 543.727 1.00 0.00 H ATOM 1677 H SER A 190 381.812 104.851 545.389 1.00 0.00 H ATOM 1678 N PHE A 191 384.931 104.790 546.419 1.00 88.81 N ATOM 1679 CA PHE A 191 386.216 105.128 547.021 1.00 87.96 C ATOM 1680 C PHE A 191 386.327 104.587 548.442 1.00 90.14 C ATOM 1681 O PHE A 191 387.370 104.042 548.819 1.00 91.34 O ATOM 1682 CB PHE A 191 386.415 106.643 547.008 1.00 81.72 C ATOM 1683 CG PHE A 191 387.772 107.084 547.480 1.00 73.71 C ATOM 1684 CD1 PHE A 191 388.892 106.892 546.691 1.00 63.30 C ATOM 1685 CD2 PHE A 191 387.926 107.691 548.714 1.00 73.85 C ATOM 1686 CE1 PHE A 191 390.141 107.302 547.123 1.00 60.18 C ATOM 1687 CE2 PHE A 191 389.172 108.110 549.148 1.00 71.81 C ATOM 1688 CZ PHE A 191 390.280 107.910 548.353 1.00 66.09 C ATOM 1689 H PHE A 191 384.203 105.526 546.316 1.00 0.00 H ATOM 1690 N ARG A 192 385.267 104.731 549.242 1.00 92.88 N ATOM 1691 CA ARG A 192 385.291 104.206 550.605 1.00 96.03 C ATOM 1692 C ARG A 192 385.370 102.684 550.604 1.00103.64 C ATOM 1693 O ARG A 192 386.051 102.089 551.448 1.00109.80 O ATOM 1694 CB ARG A 192 384.058 104.685 551.374 1.00 94.90 C ATOM 1695 CG ARG A 192 383.827 103.976 552.701 1.00101.65 C ATOM 1696 CD ARG A 192 383.491 104.962 553.811 1.00107.63 C ATOM 1697 NE ARG A 192 382.128 105.475 553.702 1.00112.08 N ATOM 1698 CZ ARG A 192 381.561 106.287 554.590 1.00109.38 C ATOM 1699 NH1 ARG A 192 382.239 106.682 555.659 1.00108.59 N ATOM 1700 NH2 ARG A 192 380.315 106.704 554.409 1.00106.18 N ATOM 1701 HE ARG A 192 381.564 105.187 552.877 1.00 0.00 H ATOM 1702 HH12 ARG A 192 381.794 107.317 556.352 1.00 0.00 H ATOM 1703 HH11 ARG A 192 383.216 106.357 555.804 1.00 0.00 H ATOM 1704 HH22 ARG A 192 379.873 107.339 555.104 1.00 0.00 H ATOM 1705 HH21 ARG A 192 379.780 106.396 553.572 1.00 0.00 H ATOM 1706 H ARG A 192 384.419 105.220 548.892 1.00 0.00 H ATOM 1707 N GLN A 193 384.690 102.037 549.659 1.00102.15 N ATOM 1708 CA GLN A 193 384.738 100.587 549.528 1.00101.22 C ATOM 1709 C GLN A 193 386.042 100.089 548.919 1.00101.30 C ATOM 1710 O GLN A 193 386.215 98.875 548.773 1.00105.42 O ATOM 1711 CB GLN A 193 383.558 100.095 548.686 1.00 99.01 C ATOM 1712 H GLN A 193 384.107 102.584 548.994 1.00 0.00 H ATOM 1713 N SER A 194 386.957 100.989 548.564 1.00 98.52 N ATOM 1714 CA SER A 194 388.223 100.606 547.956 1.00103.32 C ATOM 1715 C SER A 194 389.346 100.424 548.968 1.00107.82 C ATOM 1716 O SER A 194 390.358 99.795 548.639 1.00114.83 O ATOM 1717 CB SER A 194 388.639 101.649 546.914 1.00102.98 C ATOM 1718 OG SER A 194 389.972 101.440 546.484 1.00104.10 O ATOM 1719 HG SER A 194 390.582 101.508 547.260 1.00 0.00 H ATOM 1720 H SER A 194 386.761 101.997 548.726 1.00 0.00 H ATOM 1721 N GLU A 195 389.200 100.952 550.179 1.00104.68 N ATOM 1722 CA GLU A 195 390.229 100.797 551.201 1.00104.38 C ATOM 1723 C GLU A 195 389.968 99.562 552.060 1.00109.75 C ATOM 1724 O GLU A 195 390.730 98.596 552.023 1.00113.58 O ATOM 1725 CB GLU A 195 390.310 102.043 552.085 1.00 99.96 C ATOM 1726 CG GLU A 195 391.574 102.111 552.929 1.00102.03 C ATOM 1727 CD GLU A 195 391.447 103.060 554.105 1.00 99.51 C ATOM 1728 OE1 GLU A 195 390.561 103.936 554.072 1.00 96.65 O ATOM 1729 OE2 GLU A 195 392.235 102.927 555.064 1.00 96.68 O ATOM 1730 H GLU A 195 388.336 101.486 550.402 1.00 0.00 H TER 1731 GLU A 195 HETATM 1732 MN MN A 1 402.082 108.196 555.027 1.00 68.15 MN HETATM 1733 MN MN A 2 405.057 107.926 552.650 1.00 81.86 MN HETATM 1734 O HOH 3 407.542 108.011 552.581 1.00 66.69 O HETATM 1735 O HOH 4 405.754 106.949 554.639 1.00 53.95 O HETATM 1736 O HOH 5 401.201 124.704 563.471 1.00 94.96 O HETATM 1737 O HOH 6 391.646 120.158 564.764 1.00 74.67 O HETATM 1738 O HOH 7 397.683 106.979 554.311 1.00 67.75 O HETATM 1739 O HOH 8 395.479 108.643 551.341 1.00 65.48 O HETATM 1740 O HOH 9 414.316 114.817 545.668 1.00 81.24 O HETATM 1741 O HOH 10 408.964 123.130 557.510 1.00 62.93 O HETATM 1742 O HOH 11 408.852 108.993 548.773 1.00 90.06 O HETATM 1743 O HOH 12 396.073 120.340 545.723 1.00 73.97 O HETATM 1744 O HOH 13 413.267 113.686 544.327 1.00 80.47 O HETATM 1745 O HOH 14 378.809 108.208 546.298 1.00 64.12 O HETATM 1746 O HOH 15 402.839 128.345 555.945 1.00 82.66 O HETATM 1747 O HOH 16 411.031 101.821 550.154 1.00 94.72 O HETATM 1748 O HOH 17 383.171 106.117 535.303 1.00 81.63 O HETATM 1749 O HOH 18 409.502 121.605 572.081 1.00 84.28 O HETATM 1750 O HOH 19 408.730 131.198 560.669 1.00 85.72 O HETATM 1751 C1 GYA A 20 400.889 105.815 553.765 1.00 0.26 C HETATM 1752 C2 GYA A 20 402.171 105.991 553.253 1.00 0.18 C HETATM 1753 C3 GYA A 20 402.689 105.075 552.388 1.00 0.11 C HETATM 1754 C4 GYA A 20 404.073 105.254 551.832 1.00 0.20 C HETATM 1755 N1 GYA A 20 404.557 104.235 551.107 1.00 -0.28 N HETATM 1756 C5 GYA A 20 405.890 104.271 550.534 1.00 0.06 C HETATM 1757 C15 GYA A 20 406.755 103.122 551.087 1.00 -0.00 C HETATM 1758 C14 GYA A 20 406.325 101.956 550.236 1.00 -0.06 C HETATM 1759 C13 GYA A 20 406.397 100.595 550.497 1.00 -0.05 C HETATM 1760 C11 GYA A 20 405.931 99.708 549.537 1.00 0.11 C HETATM 1761 C9 GYA A 20 405.381 100.189 548.327 1.00 0.11 C HETATM 1762 C8 GYA A 20 405.320 101.551 548.076 1.00 -0.05 C HETATM 1763 C7 GYA A 20 405.787 102.429 549.045 1.00 -0.06 C HETATM 1764 C6 GYA A 20 405.841 103.933 549.031 1.00 -0.00 C HETATM 1765 H24 GYA A 20 406.740 104.295 548.511 1.00 0.04 H HETATM 1766 H25 GYA A 20 404.946 104.360 548.555 1.00 0.04 H HETATM 1767 H26 GYA A 20 404.916 101.923 547.142 1.00 0.04 H HETATM 1768 O3 GYA A 20 404.957 99.210 547.467 1.00 -0.33 O HETATM 1769 C10 GYA A 20 404.411 99.635 546.223 1.00 0.06 C HETATM 1770 H1 GYA A 20 404.113 98.755 545.634 1.00 0.06 H HETATM 1771 H2 GYA A 20 405.167 100.209 545.668 1.00 0.06 H HETATM 1772 H3 GYA A 20 403.531 100.269 546.406 1.00 0.06 H HETATM 1773 O4 GYA A 20 405.933 98.344 549.655 1.00 -0.33 O HETATM 1774 C12 GYA A 20 407.199 97.695 549.587 1.00 0.06 C HETATM 1775 H4 GYA A 20 407.061 96.609 549.695 1.00 0.06 H HETATM 1776 H5 GYA A 20 407.844 98.064 550.398 1.00 0.06 H HETATM 1777 H6 GYA A 20 407.670 97.910 548.616 1.00 0.06 H HETATM 1778 H7 GYA A 20 406.809 100.232 551.432 1.00 0.04 H HETATM 1779 H8 GYA A 20 407.827 103.334 550.960 1.00 0.04 H HETATM 1780 H9 GYA A 20 406.541 102.939 552.150 1.00 0.04 H HETATM 1781 H23 GYA A 20 406.352 105.252 550.717 1.00 0.06 H HETATM 1782 H27 GYA A 20 403.984 103.429 550.957 1.00 0.18 H HETATM 1783 O5 GYA A 20 404.722 106.277 552.042 1.00 -0.39 O HETATM 1784 N2 GYA A 20 402.001 103.994 551.995 1.00 -0.30 N HETATM 1785 C16 GYA A 20 400.766 103.803 552.465 1.00 0.16 C HETATM 1786 C17 GYA A 20 400.028 102.566 552.002 1.00 0.13 C HETATM 1787 C28 GYA A 20 399.842 101.519 553.111 1.00 -0.01 C HETATM 1788 C27 GYA A 20 401.226 100.890 553.164 1.00 -0.03 C HETATM 1789 C26 GYA A 20 401.527 100.673 551.696 1.00 0.04 C HETATM 1790 N3 GYA A 20 400.815 101.778 551.037 1.00 -0.25 N HETATM 1791 C18 GYA A 20 400.842 102.034 549.718 1.00 0.19 C HETATM 1792 C19 GYA A 20 401.694 101.146 548.834 1.00 0.10 C HETATM 1793 S1 GYA A 20 401.322 101.274 547.061 1.00 -0.08 S HETATM 1794 C20 GYA A 20 401.929 102.849 546.538 1.00 0.03 C HETATM 1795 C21 GYA A 20 402.617 103.687 547.416 1.00 -0.05 C HETATM 1796 C22 GYA A 20 403.082 104.914 546.976 1.00 -0.07 C HETATM 1797 C23 GYA A 20 402.871 105.312 545.674 1.00 -0.07 C HETATM 1798 C24 GYA A 20 402.197 104.495 544.794 1.00 -0.05 C HETATM 1799 C25 GYA A 20 401.730 103.270 545.228 1.00 0.05 C HETATM 1800 CL1 GYA A 20 400.884 102.262 544.103 1.00 -0.08 CL HETATM 1801 H16 GYA A 20 402.034 104.811 543.770 1.00 0.06 H HETATM 1802 H15 GYA A 20 403.238 106.276 545.340 1.00 0.06 H HETATM 1803 H14 GYA A 20 403.615 105.565 547.659 1.00 0.06 H HETATM 1804 H13 GYA A 20 402.787 103.378 548.441 1.00 0.06 H HETATM 1805 H11 GYA A 20 401.539 100.102 549.144 1.00 0.06 H HETATM 1806 H12 GYA A 20 402.748 101.420 548.985 1.00 0.06 H HETATM 1807 O6 GYA A 20 400.168 102.939 549.235 1.00 -0.40 O HETATM 1808 H17 GYA A 20 401.145 99.699 551.355 1.00 0.05 H HETATM 1809 H18 GYA A 20 402.608 100.731 551.503 1.00 0.05 H HETATM 1810 H19 GYA A 20 401.957 101.570 553.626 1.00 0.03 H HETATM 1811 H20 GYA A 20 401.212 99.938 553.715 1.00 0.03 H HETATM 1812 H21 GYA A 20 399.074 100.779 552.841 1.00 0.03 H HETATM 1813 H22 GYA A 20 399.577 101.990 554.069 1.00 0.03 H HETATM 1814 H10 GYA A 20 399.060 102.870 551.577 1.00 0.08 H HETATM 1815 N4 GYA A 20 400.206 104.694 553.343 1.00 -0.19 N HETATM 1816 H28 GYA A 20 399.281 104.527 553.685 1.00 0.25 H HETATM 1817 O2 GYA A 20 402.833 107.081 553.666 1.00 -0.33 O HETATM 1818 H29 GYA A 20 403.629 106.817 554.111 1.00 0.25 H HETATM 1819 O1 GYA A 20 400.351 106.602 554.559 1.00 -0.40 O CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 427 425 426 1732 CONECT 614 613 1733 CONECT 862 861 1733 CONECT 863 861 1732 CONECT 989 988 1732 CONECT 995 994 1732 CONECT 1732 427 863 989 995 CONECT 1733 614 862 CONECT 1751 1752 1815 1819 CONECT 1752 1751 1753 1817 CONECT 1753 1752 1754 1784 CONECT 1754 1753 1755 1783 CONECT 1755 1754 1756 1782 CONECT 1756 1755 1757 1764 1781 CONECT 1757 1756 1758 1779 1780 CONECT 1758 1757 1759 1763 CONECT 1759 1758 1760 1778 CONECT 1760 1759 1761 1773 CONECT 1761 1760 1762 1768 CONECT 1762 1761 1763 1767 CONECT 1763 1758 1762 1764 CONECT 1764 1756 1763 1765 1766 CONECT 1765 1764 CONECT 1766 1764 CONECT 1767 1762 CONECT 1768 1761 1769 CONECT 1769 1768 1770 1771 1772 CONECT 1770 1769 CONECT 1771 1769 CONECT 1772 1769 CONECT 1773 1760 1774 CONECT 1774 1773 1775 1776 1777 CONECT 1775 1774 CONECT 1776 1774 CONECT 1777 1774 CONECT 1778 1759 CONECT 1779 1757 CONECT 1780 1757 CONECT 1781 1756 CONECT 1782 1755 CONECT 1783 1754 CONECT 1784 1753 1785 CONECT 1785 1784 1786 1815 CONECT 1786 1785 1787 1790 1814 CONECT 1787 1786 1788 1812 1813 CONECT 1788 1787 1789 1810 1811 CONECT 1789 1788 1790 1808 1809 CONECT 1790 1786 1789 1791 CONECT 1791 1790 1792 1807 CONECT 1792 1791 1793 1805 1806 CONECT 1793 1792 1794 CONECT 1794 1793 1795 1799 CONECT 1795 1794 1796 1804 CONECT 1796 1795 1797 1803 CONECT 1797 1796 1798 1802 CONECT 1798 1797 1799 1801 CONECT 1799 1794 1798 1800 CONECT 1800 1799 CONECT 1801 1798 CONECT 1802 1797 CONECT 1803 1796 CONECT 1804 1795 CONECT 1805 1792 CONECT 1806 1792 CONECT 1807 1791 CONECT 1808 1789 CONECT 1809 1789 CONECT 1810 1788 CONECT 1811 1788 CONECT 1812 1787 CONECT 1813 1787 CONECT 1814 1786 CONECT 1815 1751 1785 1816 CONECT 1816 1815 CONECT 1817 1752 1818 CONECT 1818 1817 CONECT 1819 1751 MASTER 0 0 0 0 0 0 0 0 1818 1 81 14 END
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Related entries of code: 5wfw
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
204aa, >4AVG_1|Chains... at 97%
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PDBbind
204aa, >4AWF_1|Chains... at 97%
4awg
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204aa, >4AWG_1|Chains... at 97%
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192aa, >4AWM_1|Chain... at 96%
4e5f
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PDBbind
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4e5g
RCSB PDB
PDBbind
187aa, >4E5G_1|Chains... at 91%
4e5h
RCSB PDB
PDBbind
187aa, >4E5H_1|Chains... at 91%
4e5i
RCSB PDB
PDBbind
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4e5j
RCSB PDB
PDBbind
187aa, >4E5J_1|Chains... at 91%
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RCSB PDB
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RCSB PDB
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209aa, >4LN7_1|Chain... at 100%
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RCSB PDB
PDBbind
241aa, >4M4Q_1|Chain... *
4m5o
RCSB PDB
PDBbind
241aa, >4M5O_1|Chain... at 100%
4m5r
RCSB PDB
PDBbind
241aa, >4M5R_1|Chain... at 100%
4m5u
RCSB PDB
PDBbind
241aa, >4M5U_1|Chain... at 100%
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RCSB PDB
PDBbind
241aa, >4MK1_1|Chain... at 100%
4mk2
RCSB PDB
PDBbind
241aa, >4MK2_1|Chain... at 100%
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241aa, >4MK5_1|Chain... at 100%
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241aa, >4W9S_1|Chain... at 100%
5cgv
RCSB PDB
PDBbind
187aa, >5CGV_1|Chain... at 94%
5ega
RCSB PDB
PDBbind
187aa, >5EGA_1|Chain... at 94%
5w44
RCSB PDB
PDBbind
178aa, >5W44_1|Chain... at 98%
5w73
RCSB PDB
PDBbind
197aa, >5W73_1|Chain... at 93%
5w7u
RCSB PDB
PDBbind
197aa, >5W7U_1|Chain... at 93%
5w92
RCSB PDB
PDBbind
197aa, >5W92_1|Chain... at 93%
5w9g
RCSB PDB
PDBbind
197aa, >5W9G_1|Chain... at 93%
5wa7
RCSB PDB
PDBbind
197aa, >5WA7_1|Chain... at 93%
5wap
RCSB PDB
PDBbind
197aa, >5WAP_1|Chain... at 93%
5wb3
RCSB PDB
PDBbind
197aa, >5WB3_1|Chain... at 93%
5wdc
RCSB PDB
PDBbind
197aa, >5WDC_1|Chain... at 93%
5wdw
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PDBbind
197aa, >5WDW_1|Chain... at 93%
5we9
RCSB PDB
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187aa, >5WE9_1|Chain... at 94%
5web
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197aa, >5WEB_1|Chain... at 93%
5wef
RCSB PDB
PDBbind
187aa, >5WEF_1|Chain... at 93%
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RCSB PDB
PDBbind
197aa, >5WEI_1|Chain... at 92%
5wf3
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PDBbind
197aa, >5WF3_1|Chain... at 92%
5wfm
RCSB PDB
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197aa, >5WFM_1|Chain... at 92%
5wfz
RCSB PDB
PDBbind
197aa, >5WFZ_1|Chain... at 92%
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RCSB PDB
PDBbind
197aa, >5WG9_1|Chain... at 92%
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192aa, >6DCY_1|Chain... at 96%
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192aa, >6DCZ_1|Chain... at 96%
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192aa, >6DZQ_1|Chain... at 96%
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192aa, >6E0Q_1|Chain... at 96%
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241aa, >6NEM_1|Chain... at 100%
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RCSB PDB
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192aa, >6E6W_1|Chain... at 96%
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RCSB PDB
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192aa, >6E3P_1|Chain... at 96%
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RCSB PDB
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5wb3
RCSB PDB
PDBbind
GYA
Entry Information
PDB ID
5wfw
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Polymerase acidic protein
Ligand Name
GYA
EC.Number
E.C.3.1.-.-
Resolution
2.29(Å)
Affinity (Kd/Ki/IC50)
Ki=0.8uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Sci Rep Vol. 7: pp. 17139-17139
Ligand Properties
Formula
C
2
8
H
2
9
ClN
4
O
6
S
Molecular Weight
585.071
Exact Mass
584.150
No. of atoms
69
No. of bonds
73
Polar Surface Area
159.15
LOGP Value
4.08 (
Computed with XLOGP3
)
3.83 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
Canonical SMILES
COc1cc2CC(Cc2cc1OC)NC(=O)c1nc([nH]c(=O)c1O)[C@@H]1CCCN1C(=O)CSc1ccccc1Cl
InChI String
InChI=1S/C28H29ClN4O6S/c1-38-20-12-15-10-17(11-16(15)13-21(20)39-2)30-27(36)24-25(35)28(37)32-26(31-24)19-7-5-9-33(19)23(34)14-40-22-8-4-3-6-18(22)29/h3-4,6,8,12-13,17,19,35H,5,7,9-11,14H2,1-2H3,(H,30,36)(H,31,32,37)/t19-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
C3W5S0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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