Browse entries in the PDBbind-CN Database
HEADER 4QEV_COMPLEX COMPND 4QEV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 110 LEU SER GLU GLN LEU LYS HIS CYS ASN GLY ILE LEU LYS SEQRES 2 A 110 GLU LEU LEU SER LYS LYS HIS ALA ALA TYR ALA TRP PRO SEQRES 3 A 110 PHE TYR LYS PRO VAL ASP ALA SER ALA LEU GLY ALA HIS SEQRES 4 A 110 ASP TYR HIS ASP ILE ILE LYS HIS PRO MET ASP LEU SER SEQRES 5 A 110 THR VAL LYS ARG LYS MET GLU ASN ARG ASP TYR ARG ASP SEQRES 6 A 110 ALA GLN GLU PHE ALA ALA ASP VAL ARG LEU MET PHE SER SEQRES 7 A 110 ASN CYS TYR LYS TYR ASN PRO PRO ASP HIS ASP VAL VAL SEQRES 8 A 110 ALA MET ALA ARG LYS LEU GLN ASP VAL PHE GLU PHE ARG SEQRES 9 A 110 TYR ALA LYS MET PRO ASP HET NI A 1 1 HET UNN A 181 51 ATOM 1 N LEU A 346 51.711 15.923 52.323 1.00 25.07 N ATOM 2 CA LEU A 346 52.616 14.787 51.939 1.00 25.40 C ATOM 3 C LEU A 346 54.099 15.121 52.164 1.00 24.03 C ATOM 4 O LEU A 346 54.816 14.409 52.872 1.00 23.37 O ATOM 5 CB LEU A 346 52.394 14.365 50.483 1.00 26.29 C ATOM 6 CG LEU A 346 53.274 13.185 50.027 1.00 26.89 C ATOM 7 CD1 LEU A 346 53.212 12.030 51.024 1.00 27.18 C ATOM 8 CD2 LEU A 346 52.882 12.698 48.640 1.00 27.94 C ATOM 9 HN3 LEU A 346 51.944 16.759 51.750 1.00 0.00 H ATOM 10 HN2 LEU A 346 51.843 16.144 53.331 1.00 0.00 H ATOM 11 HN1 LEU A 346 50.722 15.649 52.153 1.00 0.00 H ATOM 12 N SER A 347 54.553 16.190 51.522 1.00 23.04 N ATOM 13 CA SER A 347 55.749 16.892 51.966 1.00 21.59 C ATOM 14 C SER A 347 55.556 17.211 53.439 1.00 19.05 C ATOM 15 O SER A 347 56.400 16.883 54.271 1.00 17.25 O ATOM 16 CB SER A 347 55.943 18.180 51.158 1.00 22.84 C ATOM 17 OG SER A 347 56.739 17.919 50.009 1.00 24.70 O ATOM 18 HG SER A 347 56.858 18.756 49.494 1.00 0.00 H ATOM 19 H SER A 347 54.043 16.534 50.683 1.00 0.00 H ATOM 20 N GLU A 348 54.418 17.823 53.739 1.00 17.66 N ATOM 21 CA GLU A 348 54.018 18.121 55.105 1.00 16.97 C ATOM 22 C GLU A 348 54.009 16.879 56.014 1.00 15.43 C ATOM 23 O GLU A 348 54.491 16.921 57.147 1.00 14.43 O ATOM 24 CB GLU A 348 52.644 18.778 55.091 1.00 18.08 C ATOM 25 CG GLU A 348 52.226 19.322 56.426 1.00 19.10 C ATOM 26 CD GLU A 348 50.932 20.115 56.393 1.00 20.25 C ATOM 27 OE1 GLU A 348 50.329 20.289 55.313 1.00 23.55 O ATOM 28 OE2 GLU A 348 50.509 20.570 57.469 1.00 21.02 O ATOM 29 H GLU A 348 53.784 18.102 52.963 1.00 0.00 H ATOM 30 N GLN A 349 53.446 15.781 55.518 1.00 14.25 N ATOM 31 CA GLN A 349 53.406 14.542 56.274 1.00 13.47 C ATOM 32 C GLN A 349 54.802 14.015 56.525 1.00 12.17 C ATOM 33 O GLN A 349 55.082 13.546 57.617 1.00 11.70 O ATOM 34 CB GLN A 349 52.537 13.504 55.571 1.00 14.72 C ATOM 35 CG GLN A 349 51.086 13.950 55.555 1.00 15.72 C ATOM 36 CD GLN A 349 50.166 12.967 54.886 1.00 17.24 C ATOM 37 OE1 GLN A 349 50.583 12.180 54.030 1.00 18.14 O ATOM 38 NE2 GLN A 349 48.900 13.013 55.258 1.00 18.26 N ATOM 39 HE22 GLN A 349 48.596 13.693 55.983 1.00 0.00 H ATOM 40 HE21 GLN A 349 48.207 12.369 54.826 1.00 0.00 H ATOM 41 H GLN A 349 53.025 15.810 54.567 1.00 0.00 H ATOM 42 N LEU A 350 55.680 14.129 55.536 1.00 11.29 N ATOM 43 CA LEU A 350 57.065 13.673 55.696 1.00 10.50 C ATOM 44 C LEU A 350 57.882 14.554 56.660 1.00 9.93 C ATOM 45 O LEU A 350 58.754 14.056 57.376 1.00 9.05 O ATOM 46 CB LEU A 350 57.760 13.533 54.338 1.00 10.92 C ATOM 47 CG LEU A 350 57.360 12.287 53.542 1.00 11.11 C ATOM 48 CD1 LEU A 350 57.861 12.397 52.107 1.00 11.80 C ATOM 49 CD2 LEU A 350 57.881 11.026 54.206 1.00 10.83 C ATOM 50 H LEU A 350 55.381 14.549 54.633 1.00 0.00 H ATOM 51 N LYS A 351 57.592 15.844 56.709 1.00 9.68 N ATOM 52 CA LYS A 351 58.207 16.709 57.723 1.00 9.78 C ATOM 53 C LYS A 351 57.795 16.303 59.125 1.00 8.76 C ATOM 54 O LYS A 351 58.620 16.292 60.026 1.00 8.14 O ATOM 55 CB LYS A 351 57.799 18.157 57.553 1.00 10.95 C ATOM 56 CG LYS A 351 58.166 18.760 56.229 1.00 12.46 C ATOM 57 CD LYS A 351 59.592 19.224 56.234 1.00 13.58 C ATOM 58 CE LYS A 351 59.778 20.297 55.185 1.00 14.97 C ATOM 59 NZ LYS A 351 61.146 20.190 54.653 1.00 15.99 N ATOM 60 HZ1 LYS A 351 61.829 20.324 55.426 1.00 0.00 H ATOM 61 HZ2 LYS A 351 61.279 19.249 54.230 1.00 0.00 H ATOM 62 HZ3 LYS A 351 61.293 20.922 53.929 1.00 0.00 H ATOM 63 H LYS A 351 56.923 16.248 56.023 1.00 0.00 H ATOM 64 N HIS A 352 56.507 15.995 59.308 1.00 8.15 N ATOM 65 CA HIS A 352 56.018 15.453 60.570 1.00 7.66 C ATOM 66 C HIS A 352 56.819 14.199 60.936 1.00 6.94 C ATOM 67 O HIS A 352 57.300 14.064 62.056 1.00 6.74 O ATOM 68 CB HIS A 352 54.517 15.131 60.456 1.00 8.04 C ATOM 69 CG HIS A 352 53.918 14.521 61.684 1.00 8.27 C ATOM 70 ND1 HIS A 352 53.960 15.131 62.918 1.00 8.62 N ATOM 71 CD2 HIS A 352 53.211 13.379 61.856 1.00 8.43 C ATOM 72 CE1 HIS A 352 53.349 14.367 63.806 1.00 8.49 C ATOM 73 NE2 HIS A 352 52.877 13.307 63.186 1.00 8.48 N ATOM 74 H HIS A 352 55.835 16.146 58.529 1.00 0.00 H ATOM 75 N CYS A 353 56.959 13.286 59.985 1.00 6.51 N ATOM 76 CA CYS A 353 57.784 12.089 60.189 1.00 6.00 C ATOM 77 C CYS A 353 59.230 12.429 60.559 1.00 5.78 C ATOM 78 O CYS A 353 59.796 11.826 61.491 1.00 5.65 O ATOM 79 CB CYS A 353 57.785 11.202 58.938 1.00 6.05 C ATOM 80 SG CYS A 353 56.197 10.401 58.601 1.00 6.01 S ATOM 81 H CYS A 353 56.474 13.421 59.075 1.00 0.00 H ATOM 82 N ASN A 354 59.829 13.390 59.863 1.00 5.71 N ATOM 83 CA ASN A 354 61.204 13.802 60.210 1.00 5.62 C ATOM 84 C ASN A 354 61.311 14.372 61.643 1.00 5.45 C ATOM 85 O ASN A 354 62.303 14.140 62.340 1.00 5.34 O ATOM 86 CB ASN A 354 61.760 14.821 59.215 1.00 5.85 C ATOM 87 CG ASN A 354 63.268 14.961 59.305 1.00 5.97 C ATOM 88 OD1 ASN A 354 64.011 13.964 59.333 1.00 6.09 O ATOM 89 ND2 ASN A 354 63.741 16.205 59.357 1.00 6.10 N ATOM 90 HD22 ASN A 354 63.086 17.012 59.331 1.00 0.00 H ATOM 91 HD21 ASN A 354 64.766 16.369 59.424 1.00 0.00 H ATOM 92 H ASN A 354 59.330 13.851 59.075 1.00 0.00 H ATOM 93 N GLY A 355 60.310 15.144 62.055 1.00 5.33 N ATOM 94 CA GLY A 355 60.246 15.691 63.408 1.00 5.32 C ATOM 95 C GLY A 355 60.206 14.597 64.463 1.00 5.27 C ATOM 96 O GLY A 355 60.951 14.616 65.446 1.00 5.21 O ATOM 97 H GLY A 355 59.543 15.367 61.389 1.00 0.00 H ATOM 98 N ILE A 356 59.335 13.616 64.228 1.00 5.23 N ATOM 99 CA ILE A 356 59.259 12.432 65.076 1.00 5.29 C ATOM 100 C ILE A 356 60.629 11.770 65.184 1.00 5.36 C ATOM 101 O ILE A 356 61.100 11.465 66.282 1.00 5.42 O ATOM 102 CB ILE A 356 58.250 11.411 64.530 1.00 5.21 C ATOM 103 CG1 ILE A 356 56.835 11.990 64.595 1.00 5.33 C ATOM 104 CG2 ILE A 356 58.315 10.128 65.339 1.00 5.18 C ATOM 105 CD1 ILE A 356 55.767 11.142 63.937 1.00 5.32 C ATOM 106 H ILE A 356 58.690 13.697 63.416 1.00 0.00 H ATOM 107 N LEU A 357 61.252 11.532 64.042 1.00 5.51 N ATOM 108 CA LEU A 357 62.563 10.865 64.004 1.00 5.65 C ATOM 109 C LEU A 357 63.597 11.607 64.845 1.00 5.82 C ATOM 110 O LEU A 357 64.315 11.009 65.637 1.00 5.78 O ATOM 111 CB LEU A 357 63.046 10.721 62.546 1.00 5.75 C ATOM 112 CG LEU A 357 64.489 10.218 62.377 1.00 5.91 C ATOM 113 CD1 LEU A 357 64.619 8.819 62.976 1.00 5.86 C ATOM 114 CD2 LEU A 357 64.844 10.247 60.895 1.00 6.07 C ATOM 115 H LEU A 357 60.805 11.823 63.149 1.00 0.00 H ATOM 116 N LYS A 358 63.682 12.914 64.655 1.00 6.17 N ATOM 117 CA LYS A 358 64.573 13.747 65.445 1.00 6.47 C ATOM 118 C LYS A 358 64.248 13.624 66.944 1.00 6.44 C ATOM 119 O LYS A 358 65.144 13.523 67.771 1.00 6.45 O ATOM 120 CB LYS A 358 64.458 15.222 65.022 1.00 6.92 C ATOM 121 CG LYS A 358 64.899 15.543 63.600 1.00 7.29 C ATOM 122 CD LYS A 358 66.384 15.308 63.405 1.00 7.80 C ATOM 123 CE LYS A 358 66.838 15.753 62.025 1.00 8.27 C ATOM 124 NZ LYS A 358 68.127 15.118 61.712 1.00 8.83 N ATOM 125 HZ1 LYS A 358 68.833 15.402 62.421 1.00 0.00 H ATOM 126 HZ2 LYS A 358 68.015 14.084 61.727 1.00 0.00 H ATOM 127 HZ3 LYS A 358 68.441 15.420 60.768 1.00 0.00 H ATOM 128 H LYS A 358 63.095 13.357 63.920 1.00 0.00 H ATOM 129 N GLU A 359 62.960 13.643 67.296 1.00 6.26 N ATOM 130 CA GLU A 359 62.572 13.429 68.684 1.00 6.41 C ATOM 131 C GLU A 359 63.089 12.088 69.214 1.00 6.50 C ATOM 132 O GLU A 359 63.663 12.028 70.299 1.00 6.73 O ATOM 133 CB GLU A 359 61.045 13.523 68.890 1.00 6.37 C ATOM 134 CG GLU A 359 60.674 13.231 70.341 1.00 6.52 C ATOM 135 CD GLU A 359 59.285 13.668 70.773 1.00 6.63 C ATOM 136 OE1 GLU A 359 58.492 14.182 69.949 1.00 6.63 O ATOM 137 OE2 GLU A 359 59.001 13.464 71.973 1.00 6.69 O ATOM 138 H GLU A 359 62.230 13.812 66.575 1.00 0.00 H ATOM 139 N LEU A 360 62.904 11.020 68.442 1.00 6.50 N ATOM 140 CA LEU A 360 63.312 9.677 68.891 1.00 6.67 C ATOM 141 C LEU A 360 64.819 9.583 69.124 1.00 7.02 C ATOM 142 O LEU A 360 65.289 8.782 69.933 1.00 7.01 O ATOM 143 CB LEU A 360 62.856 8.612 67.892 1.00 6.58 C ATOM 144 CG LEU A 360 61.356 8.439 67.588 1.00 6.52 C ATOM 145 CD1 LEU A 360 61.161 7.241 66.653 1.00 6.51 C ATOM 146 CD2 LEU A 360 60.524 8.262 68.842 1.00 6.74 C ATOM 147 H LEU A 360 62.464 11.135 67.507 1.00 0.00 H ATOM 148 N LEU A 361 65.560 10.422 68.415 1.00 7.41 N ATOM 149 CA LEU A 361 67.024 10.523 68.542 1.00 7.86 C ATOM 150 C LEU A 361 67.519 11.552 69.560 1.00 8.38 C ATOM 151 O LEU A 361 68.724 11.641 69.800 1.00 8.45 O ATOM 152 CB LEU A 361 67.599 10.867 67.167 1.00 7.98 C ATOM 153 CG LEU A 361 67.416 9.783 66.103 1.00 7.95 C ATOM 154 CD1 LEU A 361 67.815 10.286 64.730 1.00 8.17 C ATOM 155 CD2 LEU A 361 68.268 8.577 66.468 1.00 8.02 C ATOM 156 H LEU A 361 65.082 11.043 67.732 1.00 0.00 H ATOM 157 N SER A 362 66.609 12.316 70.155 1.00 8.84 N ATOM 158 CA SER A 362 66.970 13.414 71.032 1.00 9.71 C ATOM 159 C SER A 362 67.322 12.953 72.449 1.00 10.66 C ATOM 160 O SER A 362 66.994 11.848 72.878 1.00 10.13 O ATOM 161 CB SER A 362 65.846 14.446 71.079 1.00 9.60 C ATOM 162 OG SER A 362 64.783 14.001 71.902 1.00 9.47 O ATOM 163 HG SER A 362 64.421 13.153 71.542 1.00 0.00 H ATOM 164 H SER A 362 65.602 12.120 69.986 1.00 0.00 H ATOM 165 N LYS A 363 68.001 13.830 73.174 1.00 12.35 N ATOM 166 CA LYS A 363 68.456 13.550 74.538 1.00 14.01 C ATOM 167 C LYS A 363 67.292 13.192 75.471 1.00 13.73 C ATOM 168 O LYS A 363 67.440 12.352 76.360 1.00 13.33 O ATOM 169 CB LYS A 363 69.231 14.774 75.075 1.00 16.22 C ATOM 170 CG LYS A 363 70.014 14.532 76.353 1.00 18.86 C ATOM 171 CD LYS A 363 70.698 15.817 76.844 1.00 21.39 C ATOM 172 CE LYS A 363 71.563 15.568 78.084 1.00 23.16 C ATOM 173 NZ LYS A 363 71.824 16.818 78.857 1.00 24.87 N ATOM 174 HZ1 LYS A 363 72.320 17.502 78.251 1.00 0.00 H ATOM 175 HZ2 LYS A 363 70.920 17.224 79.172 1.00 0.00 H ATOM 176 HZ3 LYS A 363 72.413 16.596 79.685 1.00 0.00 H ATOM 177 H LYS A 363 68.220 14.757 72.757 1.00 0.00 H ATOM 178 N LYS A 364 66.137 13.828 75.251 1.00 13.53 N ATOM 179 CA LYS A 364 64.926 13.595 76.060 1.00 13.70 C ATOM 180 C LYS A 364 64.586 12.104 76.229 1.00 12.23 C ATOM 181 O LYS A 364 64.123 11.698 77.306 1.00 12.39 O ATOM 182 CB LYS A 364 63.738 14.372 75.452 1.00 15.19 C ATOM 183 CG LYS A 364 62.355 13.905 75.875 1.00 16.57 C ATOM 184 CD LYS A 364 61.262 14.941 75.634 1.00 18.06 C ATOM 185 CE LYS A 364 60.984 15.221 74.165 1.00 18.75 C ATOM 186 NZ LYS A 364 59.627 15.862 73.989 1.00 20.07 N ATOM 187 HZ1 LYS A 364 58.893 15.222 74.354 1.00 0.00 H ATOM 188 HZ2 LYS A 364 59.598 16.760 74.513 1.00 0.00 H ATOM 189 HZ3 LYS A 364 59.459 16.044 72.979 1.00 0.00 H ATOM 190 H LYS A 364 66.090 14.518 74.474 1.00 0.00 H ATOM 191 N HIS A 365 64.843 11.296 75.196 1.00 10.32 N ATOM 192 CA HIS A 365 64.455 9.885 75.188 1.00 9.36 C ATOM 193 C HIS A 365 65.649 8.920 75.219 1.00 8.88 C ATOM 194 O HIS A 365 65.484 7.710 75.089 1.00 8.41 O ATOM 195 CB HIS A 365 63.593 9.591 73.951 1.00 8.95 C ATOM 196 CG HIS A 365 62.342 10.409 73.877 1.00 8.73 C ATOM 197 ND1 HIS A 365 61.313 10.282 74.785 1.00 8.84 N ATOM 198 CD2 HIS A 365 61.956 11.372 73.006 1.00 8.54 C ATOM 199 CE1 HIS A 365 60.345 11.127 74.478 1.00 8.76 C ATOM 200 NE2 HIS A 365 60.707 11.794 73.397 1.00 8.63 N ATOM 201 H HIS A 365 65.337 11.684 74.367 1.00 0.00 H ATOM 202 N ALA A 366 66.856 9.452 75.374 1.00 8.69 N ATOM 203 CA ALA A 366 68.065 8.628 75.268 1.00 8.66 C ATOM 204 C ALA A 366 68.136 7.439 76.241 1.00 8.78 C ATOM 205 O ALA A 366 68.777 6.414 75.924 1.00 8.64 O ATOM 206 CB ALA A 366 69.294 9.503 75.426 1.00 8.96 C ATOM 207 H ALA A 366 66.945 10.469 75.574 1.00 0.00 H ATOM 208 N ALA A 367 67.530 7.567 77.430 1.00 8.90 N ATOM 209 CA ALA A 367 67.627 6.506 78.450 1.00 9.12 C ATOM 210 C ALA A 367 67.039 5.175 77.975 1.00 8.81 C ATOM 211 O ALA A 367 67.513 4.115 78.383 1.00 9.08 O ATOM 212 CB ALA A 367 66.960 6.945 79.754 1.00 9.48 C ATOM 213 H ALA A 367 66.983 8.427 77.636 1.00 0.00 H ATOM 214 N TYR A 368 65.998 5.240 77.130 1.00 8.50 N ATOM 215 CA TYR A 368 65.386 4.045 76.546 1.00 8.24 C ATOM 216 C TYR A 368 65.583 3.905 75.018 1.00 7.83 C ATOM 217 O TYR A 368 65.374 2.815 74.478 1.00 7.89 O ATOM 218 CB TYR A 368 63.886 3.930 76.910 1.00 8.24 C ATOM 219 CG TYR A 368 63.135 5.247 76.953 1.00 8.28 C ATOM 220 CD1 TYR A 368 62.443 5.731 75.830 1.00 7.96 C ATOM 221 CD2 TYR A 368 63.124 6.015 78.112 1.00 8.60 C ATOM 222 CE1 TYR A 368 61.767 6.929 75.878 1.00 8.05 C ATOM 223 CE2 TYR A 368 62.454 7.219 78.160 1.00 8.68 C ATOM 224 CZ TYR A 368 61.778 7.669 77.042 1.00 8.43 C ATOM 225 OH TYR A 368 61.100 8.875 77.090 1.00 8.66 O ATOM 226 HH TYR A 368 60.674 9.048 76.213 1.00 0.00 H ATOM 227 H TYR A 368 65.612 6.173 76.881 1.00 0.00 H ATOM 228 N ALA A 369 65.984 4.968 74.323 1.00 7.64 N ATOM 229 CA ALA A 369 66.125 4.896 72.864 1.00 7.38 C ATOM 230 C ALA A 369 67.485 4.349 72.402 1.00 7.44 C ATOM 231 O ALA A 369 67.603 3.852 71.286 1.00 7.34 O ATOM 232 CB ALA A 369 65.851 6.243 72.223 1.00 7.32 C ATOM 233 H ALA A 369 66.199 5.857 74.818 1.00 0.00 H ATOM 234 N TRP A 370 68.490 4.394 73.265 1.00 7.77 N ATOM 235 CA TRP A 370 69.867 4.140 72.810 1.00 7.95 C ATOM 236 C TRP A 370 70.111 2.766 72.173 1.00 7.58 C ATOM 237 O TRP A 370 70.953 2.658 71.267 1.00 7.52 O ATOM 238 CB TRP A 370 70.911 4.426 73.926 1.00 8.57 C ATOM 239 CG TRP A 370 70.854 3.454 75.055 1.00 8.98 C ATOM 240 CD1 TRP A 370 70.177 3.608 76.221 1.00 9.26 C ATOM 241 CD2 TRP A 370 71.471 2.151 75.115 1.00 9.23 C ATOM 242 NE1 TRP A 370 70.325 2.487 77.015 1.00 9.58 N ATOM 243 CE2 TRP A 370 71.120 1.581 76.365 1.00 9.50 C ATOM 244 CE3 TRP A 370 72.292 1.418 74.247 1.00 9.33 C ATOM 245 CZ2 TRP A 370 71.547 0.306 76.757 1.00 9.73 C ATOM 246 CZ3 TRP A 370 72.716 0.141 74.640 1.00 9.45 C ATOM 247 CH2 TRP A 370 72.351 -0.391 75.885 1.00 9.74 C ATOM 248 HE1 TRP A 370 69.901 2.353 77.955 1.00 0.00 H ATOM 249 H TRP A 370 68.305 4.609 74.266 1.00 0.00 H ATOM 250 N PRO A 371 69.399 1.705 72.612 1.00 7.35 N ATOM 251 CA PRO A 371 69.674 0.457 71.900 1.00 7.21 C ATOM 252 C PRO A 371 69.256 0.485 70.413 1.00 7.00 C ATOM 253 O PRO A 371 69.682 -0.361 69.656 1.00 6.77 O ATOM 254 CB PRO A 371 68.836 -0.581 72.653 1.00 7.28 C ATOM 255 CG PRO A 371 68.509 0.037 73.962 1.00 7.44 C ATOM 256 CD PRO A 371 68.413 1.512 73.684 1.00 7.39 C ATOM 257 N PHE A 372 68.404 1.441 70.026 1.00 6.79 N ATOM 258 CA PHE A 372 67.871 1.517 68.671 1.00 6.67 C ATOM 259 C PHE A 372 68.583 2.510 67.750 1.00 6.76 C ATOM 260 O PHE A 372 68.160 2.712 66.606 1.00 6.51 O ATOM 261 CB PHE A 372 66.378 1.833 68.793 1.00 6.53 C ATOM 262 CG PHE A 372 65.697 0.907 69.749 1.00 6.64 C ATOM 263 CD1 PHE A 372 65.460 1.285 71.055 1.00 6.78 C ATOM 264 CD2 PHE A 372 65.383 -0.381 69.350 1.00 6.72 C ATOM 265 CE1 PHE A 372 64.890 0.403 71.957 1.00 6.96 C ATOM 266 CE2 PHE A 372 64.809 -1.274 70.242 1.00 6.85 C ATOM 267 CZ PHE A 372 64.564 -0.878 71.553 1.00 6.94 C ATOM 268 H PHE A 372 68.110 2.158 70.719 1.00 0.00 H ATOM 269 N TYR A 373 69.691 3.077 68.233 1.00 7.10 N ATOM 270 CA TYR A 373 70.402 4.118 67.512 1.00 7.50 C ATOM 271 C TYR A 373 71.163 3.587 66.300 1.00 7.96 C ATOM 272 O TYR A 373 71.253 4.282 65.283 1.00 7.94 O ATOM 273 CB TYR A 373 71.391 4.839 68.448 1.00 7.61 C ATOM 274 CG TYR A 373 70.825 5.848 69.451 1.00 7.55 C ATOM 275 CD1 TYR A 373 69.521 6.339 69.368 1.00 7.39 C ATOM 276 CD2 TYR A 373 71.643 6.352 70.461 1.00 7.78 C ATOM 277 CE1 TYR A 373 69.050 7.280 70.284 1.00 7.50 C ATOM 278 CE2 TYR A 373 71.178 7.285 71.371 1.00 7.91 C ATOM 279 CZ TYR A 373 69.885 7.751 71.275 1.00 7.70 C ATOM 280 OH TYR A 373 69.439 8.672 72.197 1.00 7.89 O ATOM 281 HH TYR A 373 68.498 8.908 71.998 1.00 0.00 H ATOM 282 H TYR A 373 70.057 2.763 69.155 1.00 0.00 H ATOM 283 N LYS A 374 71.721 2.375 66.413 1.00 8.45 N ATOM 284 CA LYS A 374 72.578 1.822 65.382 1.00 9.04 C ATOM 285 C LYS A 374 72.175 0.391 65.046 1.00 8.74 C ATOM 286 O LYS A 374 71.482 -0.265 65.827 1.00 8.35 O ATOM 287 CB LYS A 374 74.046 1.875 65.839 1.00 9.78 C ATOM 288 CG LYS A 374 74.627 3.291 65.913 1.00 10.65 C ATOM 289 CD LYS A 374 74.524 3.999 64.569 1.00 11.41 C ATOM 290 CE LYS A 374 75.274 5.328 64.468 1.00 12.31 C ATOM 291 NZ LYS A 374 75.399 6.129 65.719 1.00 13.08 N ATOM 292 HZ1 LYS A 374 74.451 6.368 66.073 1.00 0.00 H ATOM 293 HZ2 LYS A 374 75.908 5.573 66.436 1.00 0.00 H ATOM 294 HZ3 LYS A 374 75.926 7.003 65.518 1.00 0.00 H ATOM 295 H LYS A 374 71.534 1.812 67.267 1.00 0.00 H ATOM 296 N PRO A 375 72.597 -0.100 63.875 1.00 8.78 N ATOM 297 CA PRO A 375 72.228 -1.490 63.581 1.00 8.61 C ATOM 298 C PRO A 375 72.693 -2.452 64.652 1.00 8.81 C ATOM 299 O PRO A 375 73.786 -2.280 65.210 1.00 8.91 O ATOM 300 CB PRO A 375 72.948 -1.787 62.262 1.00 8.88 C ATOM 301 CG PRO A 375 73.293 -0.468 61.667 1.00 8.97 C ATOM 302 CD PRO A 375 73.400 0.505 62.799 1.00 8.90 C ATOM 303 N VAL A 376 71.890 -3.485 64.919 1.00 8.76 N ATOM 304 CA VAL A 376 72.317 -4.559 65.808 1.00 9.09 C ATOM 305 C VAL A 376 73.627 -5.155 65.301 1.00 9.69 C ATOM 306 O VAL A 376 73.717 -5.556 64.133 1.00 10.00 O ATOM 307 CB VAL A 376 71.241 -5.655 65.938 1.00 8.95 C ATOM 308 CG1 VAL A 376 71.764 -6.888 66.671 1.00 9.09 C ATOM 309 CG2 VAL A 376 70.055 -5.095 66.694 1.00 8.72 C ATOM 310 H VAL A 376 70.945 -3.524 64.486 1.00 0.00 H ATOM 311 N ASP A 377 74.636 -5.194 66.173 1.00 10.17 N ATOM 312 CA ASP A 377 75.905 -5.870 65.859 1.00 10.82 C ATOM 313 C ASP A 377 75.870 -7.238 66.540 1.00 11.27 C ATOM 314 O ASP A 377 76.236 -7.375 67.720 1.00 11.16 O ATOM 315 CB ASP A 377 77.112 -5.036 66.333 1.00 11.21 C ATOM 316 CG ASP A 377 78.439 -5.604 65.859 1.00 11.64 C ATOM 317 OD1 ASP A 377 78.497 -6.808 65.516 1.00 11.48 O ATOM 318 OD2 ASP A 377 79.437 -4.845 65.844 1.00 12.05 O ATOM 319 H ASP A 377 74.523 -4.735 67.099 1.00 0.00 H ATOM 320 N ALA A 378 75.377 -8.237 65.808 1.00 11.82 N ATOM 321 CA ALA A 378 75.102 -9.532 66.401 1.00 12.64 C ATOM 322 C ALA A 378 76.361 -10.163 66.984 1.00 13.59 C ATOM 323 O ALA A 378 76.325 -10.647 68.115 1.00 14.02 O ATOM 324 CB ALA A 378 74.448 -10.469 65.392 1.00 12.64 C ATOM 325 H ALA A 378 75.187 -8.086 64.797 1.00 0.00 H ATOM 326 N SER A 379 77.467 -10.136 66.234 1.00 15.03 N ATOM 327 CA SER A 379 78.728 -10.730 66.707 1.00 16.43 C ATOM 328 C SER A 379 79.177 -10.064 67.998 1.00 16.33 C ATOM 329 O SER A 379 79.539 -10.735 68.960 1.00 16.96 O ATOM 330 CB SER A 379 79.875 -10.591 65.692 1.00 17.69 C ATOM 331 OG SER A 379 79.500 -10.973 64.387 1.00 19.10 O ATOM 332 HG SER A 379 78.752 -10.402 64.079 1.00 0.00 H ATOM 333 H SER A 379 77.436 -9.686 65.297 1.00 0.00 H ATOM 334 N ALA A 380 79.145 -8.735 68.011 1.00 16.03 N ATOM 335 CA ALA A 380 79.577 -7.976 69.177 1.00 15.95 C ATOM 336 C ALA A 380 78.827 -8.381 70.432 1.00 15.51 C ATOM 337 O ALA A 380 79.409 -8.427 71.513 1.00 16.08 O ATOM 338 CB ALA A 380 79.429 -6.483 68.932 1.00 15.90 C ATOM 339 H ALA A 380 78.804 -8.226 67.170 1.00 0.00 H ATOM 340 N LEU A 381 77.543 -8.688 70.282 1.00 14.10 N ATOM 341 CA LEU A 381 76.695 -9.014 71.404 1.00 13.73 C ATOM 342 C LEU A 381 76.690 -10.497 71.733 1.00 12.98 C ATOM 343 O LEU A 381 76.054 -10.893 72.695 1.00 13.42 O ATOM 344 CB LEU A 381 75.260 -8.555 71.104 1.00 13.71 C ATOM 345 CG LEU A 381 75.120 -7.038 70.944 1.00 14.14 C ATOM 346 CD1 LEU A 381 73.731 -6.682 70.444 1.00 14.24 C ATOM 347 CD2 LEU A 381 75.411 -6.326 72.250 1.00 14.46 C ATOM 348 H LEU A 381 77.136 -8.694 69.325 1.00 0.00 H ATOM 349 N GLY A 382 77.370 -11.314 70.940 1.00 12.32 N ATOM 350 CA GLY A 382 77.282 -12.776 71.097 1.00 11.98 C ATOM 351 C GLY A 382 75.924 -13.365 70.705 1.00 11.18 C ATOM 352 O GLY A 382 75.597 -14.497 71.063 1.00 11.04 O ATOM 353 H GLY A 382 77.976 -10.916 70.194 1.00 0.00 H ATOM 354 N ALA A 383 75.140 -12.608 69.947 1.00 10.46 N ATOM 355 CA ALA A 383 73.806 -13.037 69.527 1.00 9.91 C ATOM 356 C ALA A 383 73.886 -13.735 68.166 1.00 9.55 C ATOM 357 O ALA A 383 73.391 -13.227 67.167 1.00 9.28 O ATOM 358 CB ALA A 383 72.873 -11.824 69.470 1.00 9.60 C ATOM 359 H ALA A 383 75.487 -11.677 69.641 1.00 0.00 H ATOM 360 N HIS A 384 74.486 -14.926 68.131 1.00 9.58 N ATOM 361 CA HIS A 384 74.827 -15.570 66.845 1.00 9.50 C ATOM 362 C HIS A 384 73.633 -16.159 66.095 1.00 8.98 C ATOM 363 O HIS A 384 73.777 -16.595 64.945 1.00 8.93 O ATOM 364 CB HIS A 384 75.932 -16.620 67.055 1.00 10.10 C ATOM 365 CG HIS A 384 77.165 -16.040 67.648 1.00 10.56 C ATOM 366 ND1 HIS A 384 77.956 -15.152 66.958 1.00 10.92 N ATOM 367 CD2 HIS A 384 77.702 -16.142 68.886 1.00 10.83 C ATOM 368 CE1 HIS A 384 78.950 -14.757 67.730 1.00 11.13 C ATOM 369 NE2 HIS A 384 78.820 -15.342 68.905 1.00 11.11 N ATOM 370 H HIS A 384 74.717 -15.409 69.023 1.00 0.00 H ATOM 371 N ASP A 385 72.458 -16.116 66.732 1.00 8.23 N ATOM 372 CA ASP A 385 71.203 -16.517 66.115 1.00 7.84 C ATOM 373 C ASP A 385 70.362 -15.331 65.610 1.00 7.31 C ATOM 374 O ASP A 385 69.277 -15.537 65.090 1.00 7.18 O ATOM 375 CB ASP A 385 70.351 -17.356 67.097 1.00 7.82 C ATOM 376 CG ASP A 385 70.125 -16.664 68.448 1.00 7.72 C ATOM 377 OD1 ASP A 385 70.685 -15.570 68.687 1.00 7.70 O ATOM 378 OD2 ASP A 385 69.363 -17.214 69.272 1.00 7.77 O ATOM 379 H ASP A 385 72.440 -15.780 67.716 1.00 0.00 H ATOM 380 N TYR A 386 70.861 -14.110 65.776 1.00 7.00 N ATOM 381 CA TYR A 386 70.050 -12.908 65.513 1.00 6.79 C ATOM 382 C TYR A 386 69.553 -12.855 64.056 1.00 6.89 C ATOM 383 O TYR A 386 68.362 -12.668 63.789 1.00 6.78 O ATOM 384 CB TYR A 386 70.833 -11.644 65.853 1.00 6.61 C ATOM 385 CG TYR A 386 69.940 -10.424 65.764 1.00 6.30 C ATOM 386 CD1 TYR A 386 69.061 -10.126 66.789 1.00 6.12 C ATOM 387 CD2 TYR A 386 69.939 -9.619 64.622 1.00 6.24 C ATOM 388 CE1 TYR A 386 68.214 -9.031 66.714 1.00 5.96 C ATOM 389 CE2 TYR A 386 69.088 -8.523 64.524 1.00 6.02 C ATOM 390 CZ TYR A 386 68.227 -8.239 65.567 1.00 5.86 C ATOM 391 OH TYR A 386 67.362 -7.172 65.481 1.00 5.64 O ATOM 392 HH TYR A 386 66.824 -7.117 66.310 1.00 0.00 H ATOM 393 H TYR A 386 71.844 -14.001 66.098 1.00 0.00 H ATOM 394 N HIS A 387 70.470 -13.041 63.107 1.00 7.19 N ATOM 395 CA HIS A 387 70.107 -12.909 61.685 1.00 7.30 C ATOM 396 C HIS A 387 69.392 -14.142 61.129 1.00 7.44 C ATOM 397 O HIS A 387 68.933 -14.130 59.994 1.00 7.52 O ATOM 398 CB HIS A 387 71.331 -12.526 60.834 1.00 7.52 C ATOM 399 CG HIS A 387 71.888 -11.182 61.188 1.00 7.42 C ATOM 400 ND1 HIS A 387 71.224 -10.011 60.885 1.00 7.27 N ATOM 401 CD2 HIS A 387 72.989 -10.819 61.890 1.00 7.46 C ATOM 402 CE1 HIS A 387 71.907 -8.985 61.358 1.00 7.23 C ATOM 403 NE2 HIS A 387 72.980 -9.448 61.978 1.00 7.31 N ATOM 404 H HIS A 387 71.447 -13.281 63.371 1.00 0.00 H ATOM 405 N ASP A 388 69.289 -15.197 61.931 1.00 7.51 N ATOM 406 CA ASP A 388 68.479 -16.349 61.583 1.00 7.68 C ATOM 407 C ASP A 388 67.031 -16.110 62.004 1.00 7.72 C ATOM 408 O ASP A 388 66.113 -16.687 61.432 1.00 7.99 O ATOM 409 CB ASP A 388 69.012 -17.601 62.258 1.00 7.74 C ATOM 410 CG ASP A 388 70.438 -17.907 61.853 1.00 7.92 C ATOM 411 OD1 ASP A 388 70.652 -18.315 60.694 1.00 8.03 O ATOM 412 OD2 ASP A 388 71.341 -17.725 62.687 1.00 7.94 O ATOM 413 H ASP A 388 69.804 -15.197 62.834 1.00 0.00 H ATOM 414 N ILE A 389 66.839 -15.270 63.009 1.00 7.66 N ATOM 415 CA ILE A 389 65.498 -14.972 63.549 1.00 7.67 C ATOM 416 C ILE A 389 64.927 -13.703 62.919 1.00 7.89 C ATOM 417 O ILE A 389 63.734 -13.646 62.553 1.00 7.88 O ATOM 418 CB ILE A 389 65.576 -14.875 65.090 1.00 7.45 C ATOM 419 CG1 ILE A 389 66.004 -16.247 65.655 1.00 7.51 C ATOM 420 CG2 ILE A 389 64.277 -14.365 65.695 1.00 7.31 C ATOM 421 CD1 ILE A 389 66.351 -16.259 67.134 1.00 7.42 C ATOM 422 H ILE A 389 67.665 -14.802 63.434 1.00 0.00 H ATOM 423 N ILE A 390 65.785 -12.702 62.787 1.00 8.29 N ATOM 424 CA ILE A 390 65.441 -11.409 62.219 1.00 8.66 C ATOM 425 C ILE A 390 65.936 -11.310 60.776 1.00 9.76 C ATOM 426 O ILE A 390 67.132 -11.137 60.522 1.00 10.24 O ATOM 427 CB ILE A 390 66.054 -10.282 63.090 1.00 8.23 C ATOM 428 CG1 ILE A 390 65.555 -10.387 64.541 1.00 7.94 C ATOM 429 CG2 ILE A 390 65.787 -8.892 62.503 1.00 8.08 C ATOM 430 CD1 ILE A 390 64.047 -10.355 64.704 1.00 7.81 C ATOM 431 H ILE A 390 66.763 -12.850 63.109 1.00 0.00 H ATOM 432 N LYS A 391 65.017 -11.434 59.827 1.00 11.16 N ATOM 433 CA LYS A 391 65.360 -11.377 58.405 1.00 12.56 C ATOM 434 C LYS A 391 65.448 -9.964 57.832 1.00 11.79 C ATOM 435 O LYS A 391 66.052 -9.772 56.776 1.00 11.44 O ATOM 436 CB LYS A 391 64.361 -12.193 57.586 1.00 14.50 C ATOM 437 CG LYS A 391 64.275 -13.644 58.030 1.00 16.62 C ATOM 438 CD LYS A 391 65.632 -14.327 58.030 1.00 18.57 C ATOM 439 CE LYS A 391 65.482 -15.820 57.773 1.00 21.11 C ATOM 440 NZ LYS A 391 64.607 -16.455 58.790 1.00 22.43 N ATOM 441 HZ1 LYS A 391 65.021 -16.320 59.734 1.00 0.00 H ATOM 442 HZ2 LYS A 391 63.665 -16.016 58.758 1.00 0.00 H ATOM 443 HZ3 LYS A 391 64.524 -17.472 58.588 1.00 0.00 H ATOM 444 H LYS A 391 64.024 -11.576 60.101 1.00 0.00 H ATOM 445 N HIS A 392 64.857 -8.988 58.525 1.00 10.91 N ATOM 446 CA HIS A 392 64.863 -7.610 58.058 1.00 10.78 C ATOM 447 C HIS A 392 65.263 -6.655 59.153 1.00 9.54 C ATOM 448 O HIS A 392 64.413 -6.048 59.772 1.00 9.15 O ATOM 449 CB HIS A 392 63.479 -7.242 57.503 1.00 11.63 C ATOM 450 CG HIS A 392 63.138 -8.022 56.281 1.00 12.99 C ATOM 451 ND1 HIS A 392 62.381 -9.173 56.324 1.00 13.88 N ATOM 452 CD2 HIS A 392 63.553 -7.887 55.002 1.00 13.64 C ATOM 453 CE1 HIS A 392 62.289 -9.679 55.105 1.00 14.37 C ATOM 454 NE2 HIS A 392 62.993 -8.917 54.286 1.00 14.69 N ATOM 455 H HIS A 392 64.381 -9.218 59.420 1.00 0.00 H ATOM 456 N PRO A 393 66.567 -6.536 59.406 1.00 8.75 N ATOM 457 CA PRO A 393 66.994 -5.626 60.468 1.00 8.08 C ATOM 458 C PRO A 393 66.641 -4.160 60.166 1.00 7.48 C ATOM 459 O PRO A 393 66.538 -3.763 59.009 1.00 7.45 O ATOM 460 CB PRO A 393 68.514 -5.852 60.545 1.00 8.40 C ATOM 461 CG PRO A 393 68.750 -7.154 59.839 1.00 8.70 C ATOM 462 CD PRO A 393 67.710 -7.209 58.763 1.00 8.90 C ATOM 463 N MET A 394 66.408 -3.383 61.213 1.00 6.78 N ATOM 464 CA MET A 394 66.125 -1.967 61.076 1.00 6.39 C ATOM 465 C MET A 394 66.517 -1.260 62.346 1.00 6.08 C ATOM 466 O MET A 394 66.477 -1.857 63.425 1.00 6.09 O ATOM 467 CB MET A 394 64.632 -1.756 60.799 1.00 6.26 C ATOM 468 CG MET A 394 64.268 -0.315 60.434 1.00 6.20 C ATOM 469 SD MET A 394 65.234 0.444 59.108 1.00 6.42 S ATOM 470 CE MET A 394 65.034 -0.700 57.752 1.00 6.62 C ATOM 471 H MET A 394 66.429 -3.802 62.165 1.00 0.00 H ATOM 472 N ASP A 395 66.881 0.022 62.217 1.00 5.85 N ATOM 473 CA ASP A 395 67.347 0.814 63.339 1.00 5.62 C ATOM 474 C ASP A 395 67.224 2.289 62.958 1.00 5.44 C ATOM 475 O ASP A 395 67.076 2.613 61.766 1.00 5.38 O ATOM 476 CB ASP A 395 68.804 0.470 63.641 1.00 5.81 C ATOM 477 CG ASP A 395 69.734 0.976 62.578 1.00 6.00 C ATOM 478 OD1 ASP A 395 69.852 0.314 61.526 1.00 6.24 O ATOM 479 OD2 ASP A 395 70.349 2.038 62.800 1.00 6.09 O ATOM 480 H ASP A 395 66.828 0.466 61.278 1.00 0.00 H ATOM 481 N LEU A 396 67.307 3.171 63.940 1.00 5.30 N ATOM 482 CA LEU A 396 67.107 4.601 63.685 1.00 5.29 C ATOM 483 C LEU A 396 68.124 5.298 62.765 1.00 5.44 C ATOM 484 O LEU A 396 67.779 6.284 62.079 1.00 5.47 O ATOM 485 CB LEU A 396 66.937 5.371 65.000 1.00 5.31 C ATOM 486 CG LEU A 396 65.685 5.029 65.846 1.00 5.21 C ATOM 487 CD1 LEU A 396 65.768 5.706 67.212 1.00 5.31 C ATOM 488 CD2 LEU A 396 64.352 5.331 65.172 1.00 5.17 C ATOM 489 H LEU A 396 67.517 2.846 64.905 1.00 0.00 H ATOM 490 N SER A 397 69.373 4.833 62.739 1.00 5.62 N ATOM 491 CA SER A 397 70.354 5.424 61.818 1.00 5.88 C ATOM 492 C SER A 397 69.983 5.093 60.386 1.00 5.94 C ATOM 493 O SER A 397 70.169 5.914 59.498 1.00 6.08 O ATOM 494 CB SER A 397 71.799 4.983 62.111 1.00 6.15 C ATOM 495 OG SER A 397 72.044 3.644 61.673 1.00 6.33 O ATOM 496 HG SER A 397 71.429 3.027 62.142 1.00 0.00 H ATOM 497 H SER A 397 69.653 4.054 63.369 1.00 0.00 H ATOM 498 N THR A 398 69.448 3.893 60.156 1.00 5.93 N ATOM 499 CA THR A 398 68.984 3.511 58.820 1.00 6.09 C ATOM 500 C THR A 398 67.743 4.301 58.395 1.00 6.11 C ATOM 501 O THR A 398 67.633 4.776 57.239 1.00 6.21 O ATOM 502 CB THR A 398 68.715 2.002 58.779 1.00 6.06 C ATOM 503 OG1 THR A 398 69.950 1.339 59.046 1.00 6.13 O ATOM 504 CG2 THR A 398 68.188 1.565 57.423 1.00 6.24 C ATOM 505 HG1 THR A 398 70.281 1.608 59.939 1.00 0.00 H ATOM 506 H THR A 398 69.359 3.216 60.940 1.00 0.00 H ATOM 507 N VAL A 399 66.812 4.454 59.325 1.00 6.06 N ATOM 508 CA VAL A 399 65.640 5.298 59.084 1.00 6.28 C ATOM 509 C VAL A 399 66.122 6.708 58.729 1.00 6.85 C ATOM 510 O VAL A 399 65.639 7.312 57.769 1.00 6.86 O ATOM 511 CB VAL A 399 64.682 5.324 60.302 1.00 5.98 C ATOM 512 CG1 VAL A 399 63.498 6.253 60.066 1.00 5.88 C ATOM 513 CG2 VAL A 399 64.151 3.925 60.606 1.00 5.88 C ATOM 514 H VAL A 399 66.915 3.968 60.239 1.00 0.00 H ATOM 515 N LYS A 400 67.117 7.205 59.464 1.00 7.70 N ATOM 516 CA LYS A 400 67.641 8.552 59.240 1.00 8.60 C ATOM 517 C LYS A 400 68.280 8.690 57.857 1.00 9.16 C ATOM 518 O LYS A 400 68.019 9.651 57.163 1.00 9.03 O ATOM 519 CB LYS A 400 68.649 8.927 60.329 1.00 9.34 C ATOM 520 CG LYS A 400 69.218 10.335 60.248 1.00 10.40 C ATOM 521 CD LYS A 400 70.369 10.454 61.244 1.00 11.29 C ATOM 522 CE LYS A 400 71.184 11.722 61.080 1.00 12.05 C ATOM 523 NZ LYS A 400 70.279 12.897 61.052 1.00 12.49 N ATOM 524 HZ1 LYS A 400 69.618 12.805 60.254 1.00 0.00 H ATOM 525 HZ2 LYS A 400 69.744 12.943 61.943 1.00 0.00 H ATOM 526 HZ3 LYS A 400 70.842 13.764 60.939 1.00 0.00 H ATOM 527 H LYS A 400 67.532 6.619 60.217 1.00 0.00 H ATOM 528 N ARG A 401 69.151 7.755 57.493 1.00 9.90 N ATOM 529 CA ARG A 401 69.748 7.731 56.156 1.00 11.09 C ATOM 530 C ARG A 401 68.686 7.717 55.053 1.00 10.47 C ATOM 531 O ARG A 401 68.777 8.460 54.075 1.00 10.33 O ATOM 532 CB ARG A 401 70.653 6.503 55.992 1.00 12.74 C ATOM 533 CG ARG A 401 71.171 6.321 54.571 1.00 15.04 C ATOM 534 CD ARG A 401 72.027 5.078 54.385 1.00 17.15 C ATOM 535 NE ARG A 401 71.316 3.813 54.632 1.00 19.19 N ATOM 536 CZ ARG A 401 70.509 3.184 53.774 1.00 20.82 C ATOM 537 NH1 ARG A 401 70.255 3.674 52.562 1.00 22.58 N ATOM 538 NH2 ARG A 401 69.953 2.031 54.131 1.00 21.59 N ATOM 539 HE ARG A 401 71.455 3.368 55.561 1.00 0.00 H ATOM 540 HH12 ARG A 401 69.622 3.161 51.916 1.00 0.00 H ATOM 541 HH11 ARG A 401 70.690 4.570 52.262 1.00 0.00 H ATOM 542 HH22 ARG A 401 69.323 1.531 53.472 1.00 0.00 H ATOM 543 HH21 ARG A 401 70.148 1.628 55.070 1.00 0.00 H ATOM 544 H ARG A 401 69.417 7.019 58.178 1.00 0.00 H ATOM 545 N LYS A 402 67.686 6.853 55.203 1.00 9.78 N ATOM 546 CA LYS A 402 66.612 6.794 54.231 1.00 9.62 C ATOM 547 C LYS A 402 65.865 8.128 54.133 1.00 9.81 C ATOM 548 O LYS A 402 65.522 8.557 53.036 1.00 9.89 O ATOM 549 CB LYS A 402 65.667 5.632 54.547 1.00 9.26 C ATOM 550 CG LYS A 402 66.342 4.302 54.228 1.00 9.28 C ATOM 551 CD LYS A 402 65.521 3.075 54.588 1.00 9.02 C ATOM 552 CE LYS A 402 64.348 2.905 53.647 1.00 9.17 C ATOM 553 NZ LYS A 402 63.688 1.580 53.866 1.00 8.96 N ATOM 554 HZ1 LYS A 402 64.375 0.819 53.691 1.00 0.00 H ATOM 555 HZ2 LYS A 402 63.346 1.522 54.847 1.00 0.00 H ATOM 556 HZ3 LYS A 402 62.886 1.481 53.212 1.00 0.00 H ATOM 557 H LYS A 402 67.674 6.215 56.024 1.00 0.00 H ATOM 558 N MET A 403 65.644 8.793 55.266 1.00 9.70 N ATOM 559 CA MET A 403 64.966 10.084 55.236 1.00 10.00 C ATOM 560 C MET A 403 65.850 11.137 54.559 1.00 10.53 C ATOM 561 O MET A 403 65.368 11.894 53.727 1.00 10.11 O ATOM 562 CB MET A 403 64.571 10.536 56.637 1.00 9.89 C ATOM 563 CG MET A 403 63.768 11.828 56.679 1.00 9.97 C ATOM 564 SD MET A 403 62.113 11.720 56.004 1.00 10.37 S ATOM 565 CE MET A 403 61.311 10.754 57.263 1.00 10.24 C ATOM 566 H MET A 403 65.955 8.391 56.173 1.00 0.00 H ATOM 567 N GLU A 404 67.128 11.182 54.924 1.00 11.53 N ATOM 568 CA GLU A 404 68.050 12.181 54.366 1.00 12.64 C ATOM 569 C GLU A 404 68.185 11.972 52.856 1.00 12.93 C ATOM 570 O GLU A 404 68.304 12.935 52.099 1.00 12.90 O ATOM 571 CB GLU A 404 69.433 12.070 54.997 1.00 13.77 C ATOM 572 CG GLU A 404 69.480 12.415 56.475 1.00 15.00 C ATOM 573 CD GLU A 404 70.818 12.062 57.122 1.00 16.83 C ATOM 574 OE1 GLU A 404 71.499 11.103 56.663 1.00 18.19 O ATOM 575 OE2 GLU A 404 71.188 12.751 58.108 1.00 18.99 O ATOM 576 H GLU A 404 67.483 10.495 55.620 1.00 0.00 H ATOM 577 N ASN A 405 68.176 10.707 52.434 1.00 12.84 N ATOM 578 CA ASN A 405 68.274 10.338 51.017 1.00 13.62 C ATOM 579 C ASN A 405 66.956 10.473 50.248 1.00 13.26 C ATOM 580 O ASN A 405 66.921 10.173 49.059 1.00 13.29 O ATOM 581 CB ASN A 405 68.731 8.875 50.878 1.00 14.20 C ATOM 582 CG ASN A 405 70.179 8.641 51.263 1.00 15.16 C ATOM 583 OD1 ASN A 405 70.613 7.486 51.342 1.00 16.79 O ATOM 584 ND2 ASN A 405 70.939 9.692 51.457 1.00 15.62 N ATOM 585 HD22 ASN A 405 70.535 10.647 51.381 1.00 0.00 H ATOM 586 HD21 ASN A 405 71.946 9.570 51.687 1.00 0.00 H ATOM 587 H ASN A 405 68.096 9.948 53.141 1.00 0.00 H ATOM 588 N ARG A 406 65.878 10.903 50.918 1.00 12.83 N ATOM 589 CA ARG A 406 64.567 11.029 50.274 1.00 13.03 C ATOM 590 C ARG A 406 64.048 9.678 49.764 1.00 12.67 C ATOM 591 O ARG A 406 63.311 9.617 48.784 1.00 13.09 O ATOM 592 CB ARG A 406 64.622 12.044 49.119 1.00 13.88 C ATOM 593 CG ARG A 406 65.135 13.411 49.525 1.00 14.27 C ATOM 594 CD ARG A 406 63.979 14.366 49.723 1.00 14.64 C ATOM 595 NE ARG A 406 63.374 14.706 48.441 1.00 15.34 N ATOM 596 CZ ARG A 406 62.349 15.530 48.303 1.00 15.78 C ATOM 597 NH1 ARG A 406 61.813 16.089 49.369 1.00 15.87 N ATOM 598 NH2 ARG A 406 61.860 15.789 47.104 1.00 16.33 N ATOM 599 HE ARG A 406 63.773 14.274 47.583 1.00 0.00 H ATOM 600 HH12 ARG A 406 61.007 16.738 49.266 1.00 0.00 H ATOM 601 HH11 ARG A 406 62.196 15.881 50.313 1.00 0.00 H ATOM 602 HH22 ARG A 406 61.054 16.438 47.000 1.00 0.00 H ATOM 603 HH21 ARG A 406 62.281 15.344 46.263 1.00 0.00 H ATOM 604 H ARG A 406 65.974 11.154 51.923 1.00 0.00 H ATOM 605 N ASP A 407 64.434 8.601 50.445 1.00 11.89 N ATOM 606 CA ASP A 407 64.021 7.245 50.102 1.00 11.90 C ATOM 607 C ASP A 407 62.524 7.072 50.388 1.00 11.46 C ATOM 608 O ASP A 407 61.799 6.474 49.583 1.00 11.72 O ATOM 609 CB ASP A 407 64.860 6.246 50.910 1.00 12.02 C ATOM 610 CG ASP A 407 64.940 4.861 50.280 1.00 12.60 C ATOM 611 OD1 ASP A 407 66.003 4.235 50.369 1.00 12.91 O ATOM 612 OD2 ASP A 407 63.961 4.381 49.710 1.00 13.57 O ATOM 613 H ASP A 407 65.062 8.733 51.263 1.00 0.00 H ATOM 614 N TYR A 408 62.056 7.603 51.521 1.00 10.79 N ATOM 615 CA TYR A 408 60.644 7.450 51.911 1.00 10.54 C ATOM 616 C TYR A 408 59.778 8.294 51.025 1.00 11.30 C ATOM 617 O TYR A 408 60.004 9.506 50.901 1.00 11.41 O ATOM 618 CB TYR A 408 60.403 7.839 53.380 1.00 9.75 C ATOM 619 CG TYR A 408 61.105 6.945 54.361 1.00 9.14 C ATOM 620 CD1 TYR A 408 60.840 5.583 54.379 1.00 9.00 C ATOM 621 CD2 TYR A 408 62.054 7.446 55.257 1.00 8.74 C ATOM 622 CE1 TYR A 408 61.493 4.740 55.253 1.00 8.75 C ATOM 623 CE2 TYR A 408 62.711 6.606 56.150 1.00 8.52 C ATOM 624 CZ TYR A 408 62.421 5.252 56.144 1.00 8.53 C ATOM 625 OH TYR A 408 63.050 4.370 57.009 1.00 8.31 O ATOM 626 HH TYR A 408 62.709 3.454 56.851 1.00 0.00 H ATOM 627 H TYR A 408 62.701 8.135 52.140 1.00 0.00 H ATOM 628 N ARG A 409 58.763 7.674 50.427 1.00 12.16 N ATOM 629 CA ARG A 409 57.866 8.418 49.539 1.00 13.10 C ATOM 630 C ARG A 409 56.588 8.875 50.246 1.00 12.45 C ATOM 631 O ARG A 409 55.905 9.787 49.768 1.00 12.58 O ATOM 632 CB ARG A 409 57.558 7.602 48.284 1.00 14.45 C ATOM 633 CG ARG A 409 58.763 7.491 47.344 1.00 15.75 C ATOM 634 CD ARG A 409 58.368 7.104 45.924 1.00 17.30 C ATOM 635 NE ARG A 409 57.582 8.159 45.279 1.00 18.95 N ATOM 636 CZ ARG A 409 56.349 8.016 44.789 1.00 20.15 C ATOM 637 NH1 ARG A 409 55.717 6.846 44.825 1.00 21.28 N ATOM 638 NH2 ARG A 409 55.741 9.055 44.236 1.00 20.77 N ATOM 639 HE ARG A 409 58.022 9.098 45.196 1.00 0.00 H ATOM 640 HH12 ARG A 409 54.756 6.762 44.436 1.00 0.00 H ATOM 641 HH11 ARG A 409 56.184 6.015 45.242 1.00 0.00 H ATOM 642 HH22 ARG A 409 54.780 8.951 43.852 1.00 0.00 H ATOM 643 HH21 ARG A 409 56.225 9.974 44.186 1.00 0.00 H ATOM 644 H ARG A 409 58.606 6.659 50.591 1.00 0.00 H ATOM 645 N ASP A 410 56.272 8.265 51.387 1.00 11.71 N ATOM 646 CA ASP A 410 55.116 8.693 52.184 1.00 11.33 C ATOM 647 C ASP A 410 55.286 8.349 53.666 1.00 10.33 C ATOM 648 O ASP A 410 56.217 7.624 54.038 1.00 9.64 O ATOM 649 CB ASP A 410 53.821 8.089 51.623 1.00 12.07 C ATOM 650 CG ASP A 410 53.909 6.607 51.419 1.00 12.51 C ATOM 651 OD1 ASP A 410 54.385 5.873 52.305 1.00 12.30 O ATOM 652 OD2 ASP A 410 53.478 6.150 50.337 1.00 14.04 O ATOM 653 H ASP A 410 56.855 7.471 51.719 1.00 0.00 H ATOM 654 N ALA A 411 54.374 8.859 54.496 1.00 9.44 N ATOM 655 CA ALA A 411 54.443 8.607 55.933 1.00 9.02 C ATOM 656 C ALA A 411 54.290 7.125 56.281 1.00 8.78 C ATOM 657 O ALA A 411 54.923 6.638 57.224 1.00 8.48 O ATOM 658 CB ALA A 411 53.398 9.423 56.672 1.00 8.97 C ATOM 659 H ALA A 411 53.603 9.444 54.114 1.00 0.00 H ATOM 660 N GLN A 412 53.434 6.427 55.538 1.00 8.86 N ATOM 661 CA GLN A 412 53.180 5.010 55.786 1.00 8.91 C ATOM 662 C GLN A 412 54.439 4.179 55.631 1.00 8.23 C ATOM 663 O GLN A 412 54.671 3.255 56.401 1.00 7.74 O ATOM 664 CB GLN A 412 52.093 4.490 54.842 1.00 9.99 C ATOM 665 CG GLN A 412 50.710 5.063 55.138 1.00 10.81 C ATOM 666 CD GLN A 412 50.394 6.388 54.445 1.00 11.98 C ATOM 667 OE1 GLN A 412 51.271 7.117 53.962 1.00 12.79 O ATOM 668 NE2 GLN A 412 49.103 6.721 54.413 1.00 13.36 N ATOM 669 HE22 GLN A 412 48.392 6.086 54.828 1.00 0.00 H ATOM 670 HE21 GLN A 412 48.808 7.616 53.973 1.00 0.00 H ATOM 671 H GLN A 412 52.933 6.903 54.761 1.00 0.00 H ATOM 672 N GLU A 413 55.237 4.508 54.625 1.00 7.77 N ATOM 673 CA GLU A 413 56.496 3.788 54.388 1.00 7.50 C ATOM 674 C GLU A 413 57.469 3.983 55.554 1.00 6.67 C ATOM 675 O GLU A 413 58.119 3.030 56.037 1.00 6.41 O ATOM 676 CB GLU A 413 57.130 4.236 53.057 1.00 7.98 C ATOM 677 CG GLU A 413 58.283 3.357 52.616 1.00 8.33 C ATOM 678 CD GLU A 413 58.974 3.817 51.331 1.00 8.91 C ATOM 679 OE1 GLU A 413 59.946 3.137 50.954 1.00 9.66 O ATOM 680 OE2 GLU A 413 58.600 4.840 50.713 1.00 9.23 O ATOM 681 H GLU A 413 54.968 5.289 53.993 1.00 0.00 H ATOM 682 N PHE A 414 57.579 5.226 56.008 1.00 6.13 N ATOM 683 CA PHE A 414 58.416 5.566 57.167 1.00 5.59 C ATOM 684 C PHE A 414 57.950 4.816 58.421 1.00 5.21 C ATOM 685 O PHE A 414 58.741 4.208 59.142 1.00 4.99 O ATOM 686 CB PHE A 414 58.372 7.093 57.372 1.00 5.52 C ATOM 687 CG PHE A 414 58.838 7.568 58.722 1.00 5.29 C ATOM 688 CD1 PHE A 414 60.174 7.889 58.940 1.00 5.26 C ATOM 689 CD2 PHE A 414 57.934 7.765 59.765 1.00 5.19 C ATOM 690 CE1 PHE A 414 60.599 8.366 60.164 1.00 5.15 C ATOM 691 CE2 PHE A 414 58.365 8.220 60.999 1.00 5.06 C ATOM 692 CZ PHE A 414 59.699 8.535 61.197 1.00 5.05 C ATOM 693 H PHE A 414 57.055 5.985 55.527 1.00 0.00 H ATOM 694 N ALA A 415 56.643 4.840 58.658 1.00 4.98 N ATOM 695 CA ALA A 415 56.078 4.241 59.859 1.00 4.72 C ATOM 696 C ALA A 415 56.333 2.741 59.866 1.00 4.58 C ATOM 697 O ALA A 415 56.618 2.179 60.918 1.00 4.40 O ATOM 698 CB ALA A 415 54.584 4.510 59.934 1.00 4.83 C ATOM 699 H ALA A 415 56.010 5.296 57.971 1.00 0.00 H ATOM 700 N ALA A 416 56.247 2.118 58.686 1.00 4.63 N ATOM 701 CA ALA A 416 56.454 0.682 58.568 1.00 4.59 C ATOM 702 C ALA A 416 57.870 0.293 58.992 1.00 4.39 C ATOM 703 O ALA A 416 58.052 -0.760 59.609 1.00 4.34 O ATOM 704 CB ALA A 416 56.155 0.202 57.144 1.00 4.88 C ATOM 705 H ALA A 416 56.027 2.672 57.834 1.00 0.00 H ATOM 706 N ASP A 417 58.872 1.111 58.653 1.00 4.23 N ATOM 707 CA ASP A 417 60.274 0.833 59.078 1.00 4.07 C ATOM 708 C ASP A 417 60.459 1.024 60.582 1.00 3.77 C ATOM 709 O ASP A 417 61.141 0.235 61.254 1.00 3.68 O ATOM 710 CB ASP A 417 61.272 1.743 58.351 1.00 4.20 C ATOM 711 CG ASP A 417 61.753 1.187 57.017 1.00 4.49 C ATOM 712 OD1 ASP A 417 61.403 0.033 56.636 1.00 4.64 O ATOM 713 OD2 ASP A 417 62.515 1.933 56.356 1.00 4.61 O ATOM 714 H ASP A 417 58.670 1.957 58.082 1.00 0.00 H ATOM 715 N VAL A 418 59.870 2.085 61.134 1.00 3.59 N ATOM 716 CA VAL A 418 60.014 2.341 62.556 1.00 3.42 C ATOM 717 C VAL A 418 59.396 1.192 63.340 1.00 3.40 C ATOM 718 O VAL A 418 59.968 0.710 64.304 1.00 3.38 O ATOM 719 CB VAL A 418 59.393 3.687 62.983 1.00 3.37 C ATOM 720 CG1 VAL A 418 59.466 3.858 64.507 1.00 3.33 C ATOM 721 CG2 VAL A 418 60.099 4.818 62.267 1.00 3.39 C ATOM 722 H VAL A 418 59.306 2.731 60.545 1.00 0.00 H ATOM 723 N ARG A 419 58.241 0.728 62.880 1.00 3.48 N ATOM 724 CA ARG A 419 57.526 -0.334 63.530 1.00 3.53 C ATOM 725 C ARG A 419 58.218 -1.673 63.361 1.00 3.54 C ATOM 726 O ARG A 419 58.226 -2.479 64.298 1.00 3.64 O ATOM 727 CB ARG A 419 56.086 -0.372 63.020 1.00 3.63 C ATOM 728 CG ARG A 419 55.241 0.741 63.615 1.00 3.64 C ATOM 729 CD ARG A 419 54.024 1.025 62.789 1.00 3.80 C ATOM 730 NE ARG A 419 53.126 1.963 63.459 1.00 3.84 N ATOM 731 CZ ARG A 419 52.128 2.608 62.856 1.00 3.98 C ATOM 732 NH1 ARG A 419 51.889 2.447 61.560 1.00 4.08 N ATOM 733 NH2 ARG A 419 51.381 3.448 63.560 1.00 4.06 N ATOM 734 HE ARG A 419 53.276 2.139 64.473 1.00 0.00 H ATOM 735 HH12 ARG A 419 51.105 2.960 61.108 1.00 0.00 H ATOM 736 HH11 ARG A 419 52.486 1.808 60.997 1.00 0.00 H ATOM 737 HH22 ARG A 419 50.599 3.958 63.102 1.00 0.00 H ATOM 738 HH21 ARG A 419 51.577 3.597 64.570 1.00 0.00 H ATOM 739 H ARG A 419 57.839 1.149 62.018 1.00 0.00 H ATOM 740 N LEU A 420 58.809 -1.916 62.186 1.00 3.56 N ATOM 741 CA LEU A 420 59.669 -3.093 61.973 1.00 3.56 C ATOM 742 C LEU A 420 60.784 -3.206 63.022 1.00 3.45 C ATOM 743 O LEU A 420 61.048 -4.278 63.570 1.00 3.46 O ATOM 744 CB LEU A 420 60.281 -3.038 60.568 1.00 3.66 C ATOM 745 CG LEU A 420 61.372 -4.037 60.193 1.00 3.74 C ATOM 746 CD1 LEU A 420 60.836 -5.463 60.299 1.00 3.85 C ATOM 747 CD2 LEU A 420 61.913 -3.765 58.793 1.00 3.93 C ATOM 748 H LEU A 420 58.657 -1.254 61.399 1.00 0.00 H ATOM 749 N MET A 421 61.471 -2.101 63.254 1.00 3.37 N ATOM 750 CA MET A 421 62.485 -2.016 64.291 1.00 3.35 C ATOM 751 C MET A 421 61.984 -2.509 65.653 1.00 3.35 C ATOM 752 O MET A 421 62.650 -3.321 66.327 1.00 3.41 O ATOM 753 CB MET A 421 62.969 -0.571 64.385 1.00 3.32 C ATOM 754 CG MET A 421 64.063 -0.331 65.412 1.00 3.36 C ATOM 755 SD MET A 421 64.449 1.423 65.543 1.00 3.44 S ATOM 756 CE MET A 421 62.969 1.966 66.397 1.00 3.39 C ATOM 757 H MET A 421 61.278 -1.261 62.672 1.00 0.00 H ATOM 758 N PHE A 422 60.800 -2.056 66.063 1.00 3.33 N ATOM 759 CA PHE A 422 60.246 -2.515 67.330 1.00 3.41 C ATOM 760 C PHE A 422 59.863 -4.013 67.268 1.00 3.55 C ATOM 761 O PHE A 422 60.127 -4.770 68.219 1.00 3.62 O ATOM 762 CB PHE A 422 59.047 -1.650 67.735 1.00 3.43 C ATOM 763 CG PHE A 422 59.391 -0.203 67.988 1.00 3.38 C ATOM 764 CD1 PHE A 422 60.403 0.135 68.878 1.00 3.41 C ATOM 765 CD2 PHE A 422 58.663 0.824 67.382 1.00 3.37 C ATOM 766 CE1 PHE A 422 60.730 1.455 69.123 1.00 3.40 C ATOM 767 CE2 PHE A 422 58.980 2.158 67.633 1.00 3.36 C ATOM 768 CZ PHE A 422 60.026 2.464 68.507 1.00 3.38 C ATOM 769 H PHE A 422 60.272 -1.376 65.480 1.00 0.00 H ATOM 770 N SER A 423 59.274 -4.432 66.147 1.00 3.64 N ATOM 771 CA SER A 423 58.840 -5.827 65.970 1.00 3.82 C ATOM 772 C SER A 423 60.029 -6.761 66.045 1.00 3.94 C ATOM 773 O SER A 423 59.954 -7.826 66.658 1.00 4.05 O ATOM 774 CB SER A 423 58.140 -6.057 64.630 1.00 3.90 C ATOM 775 OG SER A 423 57.013 -5.212 64.491 1.00 3.94 O ATOM 776 HG SER A 423 57.303 -4.267 64.539 1.00 0.00 H ATOM 777 H SER A 423 59.117 -3.753 65.375 1.00 0.00 H ATOM 778 N ASN A 424 61.132 -6.359 65.437 1.00 4.00 N ATOM 779 CA ASN A 424 62.340 -7.173 65.537 1.00 4.18 C ATOM 780 C ASN A 424 62.732 -7.419 67.006 1.00 4.36 C ATOM 781 O ASN A 424 63.130 -8.527 67.392 1.00 4.48 O ATOM 782 CB ASN A 424 63.489 -6.513 64.776 1.00 4.12 C ATOM 783 CG ASN A 424 63.313 -6.589 63.274 1.00 4.16 C ATOM 784 OD1 ASN A 424 62.558 -7.411 62.750 1.00 4.31 O ATOM 785 ND2 ASN A 424 64.022 -5.761 62.582 1.00 4.13 N ATOM 786 HD22 ASN A 424 64.647 -5.083 63.063 1.00 0.00 H ATOM 787 HD21 ASN A 424 63.968 -5.772 61.543 1.00 0.00 H ATOM 788 H ASN A 424 61.139 -5.472 64.893 1.00 0.00 H ATOM 789 N CYS A 425 62.631 -6.379 67.815 1.00 4.55 N ATOM 790 CA CYS A 425 62.938 -6.478 69.238 1.00 4.89 C ATOM 791 C CYS A 425 61.956 -7.403 69.963 1.00 5.20 C ATOM 792 O CYS A 425 62.370 -8.244 70.774 1.00 5.41 O ATOM 793 CB CYS A 425 62.976 -5.061 69.847 1.00 4.85 C ATOM 794 SG CYS A 425 63.474 -4.930 71.564 1.00 5.16 S ATOM 795 H CYS A 425 62.324 -5.464 67.427 1.00 0.00 H ATOM 796 N TYR A 426 60.660 -7.264 69.662 1.00 5.47 N ATOM 797 CA TYR A 426 59.641 -8.104 70.272 1.00 5.88 C ATOM 798 C TYR A 426 59.742 -9.559 69.841 1.00 6.41 C ATOM 799 O TYR A 426 59.350 -10.436 70.602 1.00 6.76 O ATOM 800 CB TYR A 426 58.234 -7.600 69.968 1.00 5.80 C ATOM 801 CG TYR A 426 57.984 -6.144 70.327 1.00 5.71 C ATOM 802 CD1 TYR A 426 58.586 -5.551 71.448 1.00 5.74 C ATOM 803 CD2 TYR A 426 57.120 -5.369 69.568 1.00 5.63 C ATOM 804 CE1 TYR A 426 58.349 -4.213 71.765 1.00 5.76 C ATOM 805 CE2 TYR A 426 56.892 -4.035 69.872 1.00 5.63 C ATOM 806 CZ TYR A 426 57.501 -3.464 70.976 1.00 5.68 C ATOM 807 OH TYR A 426 57.266 -2.126 71.274 1.00 5.71 O ATOM 808 HH TYR A 426 57.561 -1.563 70.515 1.00 0.00 H ATOM 809 H TYR A 426 60.374 -6.538 68.975 1.00 0.00 H ATOM 810 N LYS A 427 60.249 -9.810 68.632 1.00 6.84 N ATOM 811 CA LYS A 427 60.425 -11.175 68.144 1.00 7.51 C ATOM 812 C LYS A 427 61.637 -11.855 68.759 1.00 7.86 C ATOM 813 O LYS A 427 61.550 -13.018 69.143 1.00 7.94 O ATOM 814 CB LYS A 427 60.554 -11.211 66.619 1.00 7.81 C ATOM 815 CG LYS A 427 60.595 -12.629 66.077 1.00 8.27 C ATOM 816 CD LYS A 427 60.796 -12.676 64.581 1.00 8.71 C ATOM 817 CE LYS A 427 60.702 -14.132 64.119 1.00 9.21 C ATOM 818 NZ LYS A 427 61.002 -14.238 62.664 1.00 9.64 N ATOM 819 HZ1 LYS A 427 60.317 -13.668 62.128 1.00 0.00 H ATOM 820 HZ2 LYS A 427 61.964 -13.887 62.483 1.00 0.00 H ATOM 821 HZ3 LYS A 427 60.933 -15.233 62.369 1.00 0.00 H ATOM 822 H LYS A 427 60.525 -9.014 68.023 1.00 0.00 H ATOM 823 N TYR A 428 62.764 -11.152 68.830 1.00 8.22 N ATOM 824 CA TYR A 428 64.014 -11.791 69.227 1.00 8.78 C ATOM 825 C TYR A 428 64.138 -12.021 70.732 1.00 9.56 C ATOM 826 O TYR A 428 64.656 -13.055 71.157 1.00 9.55 O ATOM 827 CB TYR A 428 65.212 -10.974 68.753 1.00 8.71 C ATOM 828 CG TYR A 428 66.529 -11.634 69.118 1.00 8.73 C ATOM 829 CD1 TYR A 428 66.974 -12.781 68.451 1.00 8.79 C ATOM 830 CD2 TYR A 428 67.300 -11.151 70.169 1.00 8.87 C ATOM 831 CE1 TYR A 428 68.174 -13.390 68.802 1.00 8.95 C ATOM 832 CE2 TYR A 428 68.486 -11.763 70.530 1.00 9.05 C ATOM 833 CZ TYR A 428 68.927 -12.877 69.835 1.00 9.03 C ATOM 834 OH TYR A 428 70.122 -13.470 70.205 1.00 9.11 O ATOM 835 HH TYR A 428 70.299 -14.248 69.619 1.00 0.00 H ATOM 836 H TYR A 428 62.754 -10.138 68.600 1.00 0.00 H ATOM 837 N ASN A 429 63.674 -11.054 71.522 1.00 10.48 N ATOM 838 CA ASN A 429 63.911 -11.013 72.978 1.00 11.49 C ATOM 839 C ASN A 429 62.733 -11.528 73.799 1.00 12.94 C ATOM 840 O ASN A 429 61.583 -11.273 73.447 1.00 12.96 O ATOM 841 CB ASN A 429 64.208 -9.579 73.415 1.00 11.46 C ATOM 842 CG ASN A 429 65.498 -9.038 72.812 1.00 11.38 C ATOM 843 OD1 ASN A 429 66.587 -9.386 73.249 1.00 11.88 O ATOM 844 ND2 ASN A 429 65.379 -8.199 71.799 1.00 11.40 N ATOM 845 HD22 ASN A 429 64.435 -7.928 71.457 1.00 0.00 H ATOM 846 HD21 ASN A 429 66.229 -7.810 71.344 1.00 0.00 H ATOM 847 H ASN A 429 63.116 -10.289 71.091 1.00 0.00 H ATOM 848 N PRO A 430 63.004 -12.229 74.917 1.00 14.59 N ATOM 849 CA PRO A 430 61.874 -12.557 75.813 1.00 15.52 C ATOM 850 C PRO A 430 61.145 -11.292 76.265 1.00 15.81 C ATOM 851 O PRO A 430 61.794 -10.254 76.445 1.00 15.54 O ATOM 852 CB PRO A 430 62.552 -13.255 76.997 1.00 15.81 C ATOM 853 CG PRO A 430 63.830 -13.803 76.438 1.00 15.75 C ATOM 854 CD PRO A 430 64.266 -12.841 75.364 1.00 15.09 C ATOM 855 N PRO A 431 59.803 -11.364 76.423 1.00 16.59 N ATOM 856 CA PRO A 431 59.009 -10.159 76.686 1.00 16.98 C ATOM 857 C PRO A 431 59.265 -9.494 78.040 1.00 17.91 C ATOM 858 O PRO A 431 58.838 -8.361 78.240 1.00 17.62 O ATOM 859 CB PRO A 431 57.555 -10.656 76.597 1.00 17.05 C ATOM 860 CG PRO A 431 57.625 -12.134 76.802 1.00 17.01 C ATOM 861 CD PRO A 431 58.951 -12.551 76.235 1.00 16.79 C ATOM 862 N ASP A 432 59.961 -10.179 78.943 1.00 19.17 N ATOM 863 CA ASP A 432 60.310 -9.612 80.254 1.00 20.11 C ATOM 864 C ASP A 432 61.728 -9.003 80.326 1.00 19.31 C ATOM 865 O ASP A 432 62.151 -8.549 81.388 1.00 19.49 O ATOM 866 CB ASP A 432 60.146 -10.679 81.344 1.00 21.91 C ATOM 867 CG ASP A 432 61.091 -11.857 81.155 1.00 23.26 C ATOM 868 OD1 ASP A 432 61.289 -12.273 79.995 1.00 24.77 O ATOM 869 OD2 ASP A 432 61.631 -12.368 82.158 1.00 26.20 O ATOM 870 H ASP A 432 60.268 -11.146 78.715 1.00 0.00 H ATOM 871 N HIS A 433 62.445 -8.956 79.206 1.00 17.85 N ATOM 872 CA HIS A 433 63.788 -8.377 79.189 1.00 17.09 C ATOM 873 C HIS A 433 63.733 -6.847 79.154 1.00 15.48 C ATOM 874 O HIS A 433 62.787 -6.258 78.644 1.00 14.92 O ATOM 875 CB HIS A 433 64.604 -8.937 78.016 1.00 17.92 C ATOM 876 CG HIS A 433 65.187 -10.291 78.285 1.00 19.19 C ATOM 877 ND1 HIS A 433 66.424 -10.679 77.815 1.00 19.70 N ATOM 878 CD2 HIS A 433 64.722 -11.332 79.020 1.00 20.40 C ATOM 879 CE1 HIS A 433 66.685 -11.909 78.225 1.00 20.25 C ATOM 880 NE2 HIS A 433 65.669 -12.328 78.960 1.00 20.51 N ATOM 881 H HIS A 433 62.043 -9.338 78.326 1.00 0.00 H ATOM 882 N ASP A 434 64.734 -6.210 79.743 1.00 14.41 N ATOM 883 CA ASP A 434 64.800 -4.745 79.772 1.00 13.74 C ATOM 884 C ASP A 434 64.706 -4.084 78.385 1.00 12.23 C ATOM 885 O ASP A 434 64.060 -3.044 78.239 1.00 11.48 O ATOM 886 CB ASP A 434 66.097 -4.282 80.458 1.00 14.79 C ATOM 887 CG ASP A 434 66.012 -4.325 81.992 1.00 16.07 C ATOM 888 OD1 ASP A 434 64.920 -4.565 82.553 1.00 16.79 O ATOM 889 OD2 ASP A 434 67.053 -4.113 82.638 1.00 17.31 O ATOM 890 H ASP A 434 65.491 -6.762 80.195 1.00 0.00 H ATOM 891 N VAL A 435 65.342 -4.680 77.374 1.00 10.88 N ATOM 892 CA VAL A 435 65.357 -4.073 76.047 1.00 9.94 C ATOM 893 C VAL A 435 63.943 -3.983 75.451 1.00 9.11 C ATOM 894 O VAL A 435 63.623 -3.056 74.683 1.00 8.73 O ATOM 895 CB VAL A 435 66.321 -4.781 75.069 1.00 9.82 C ATOM 896 CG1 VAL A 435 65.771 -6.117 74.591 1.00 9.85 C ATOM 897 CG2 VAL A 435 66.596 -3.874 73.879 1.00 9.67 C ATOM 898 H VAL A 435 65.831 -5.584 77.533 1.00 0.00 H ATOM 899 N VAL A 436 63.104 -4.941 75.830 1.00 8.70 N ATOM 900 CA VAL A 436 61.700 -4.947 75.405 1.00 8.29 C ATOM 901 C VAL A 436 60.902 -3.834 76.071 1.00 8.34 C ATOM 902 O VAL A 436 60.088 -3.183 75.413 1.00 8.00 O ATOM 903 CB VAL A 436 61.055 -6.327 75.621 1.00 8.30 C ATOM 904 CG1 VAL A 436 59.549 -6.269 75.384 1.00 8.32 C ATOM 905 CG2 VAL A 436 61.694 -7.344 74.684 1.00 8.16 C ATOM 906 H VAL A 436 63.451 -5.706 76.443 1.00 0.00 H ATOM 907 N ALA A 437 61.138 -3.601 77.362 1.00 8.56 N ATOM 908 CA ALA A 437 60.539 -2.472 78.055 1.00 8.69 C ATOM 909 C ALA A 437 60.954 -1.145 77.414 1.00 8.56 C ATOM 910 O ALA A 437 60.144 -0.242 77.299 1.00 8.31 O ATOM 911 CB ALA A 437 60.925 -2.469 79.523 1.00 9.19 C ATOM 912 H ALA A 437 61.766 -4.243 77.887 1.00 0.00 H ATOM 913 N MET A 438 62.219 -1.042 77.017 1.00 8.69 N ATOM 914 CA MET A 438 62.729 0.172 76.376 1.00 8.78 C ATOM 915 C MET A 438 62.066 0.415 75.017 1.00 8.31 C ATOM 916 O MET A 438 61.670 1.542 74.705 1.00 7.92 O ATOM 917 CB MET A 438 64.247 0.080 76.242 1.00 9.40 C ATOM 918 CG MET A 438 64.950 0.066 77.585 1.00 10.19 C ATOM 919 SD MET A 438 66.700 -0.349 77.444 1.00 11.70 S ATOM 920 CE MET A 438 67.366 1.113 76.768 1.00 11.22 C ATOM 921 H MET A 438 62.863 -1.845 77.166 1.00 0.00 H ATOM 922 N ALA A 439 61.928 -0.652 74.235 1.00 7.91 N ATOM 923 CA ALA A 439 61.204 -0.618 72.955 1.00 7.74 C ATOM 924 C ALA A 439 59.757 -0.153 73.107 1.00 7.91 C ATOM 925 O ALA A 439 59.315 0.760 72.410 1.00 7.63 O ATOM 926 CB ALA A 439 61.230 -2.002 72.323 1.00 7.54 C ATOM 927 H ALA A 439 62.351 -1.551 74.542 1.00 0.00 H ATOM 928 N ARG A 440 59.031 -0.767 74.052 1.00 8.51 N ATOM 929 CA ARG A 440 57.630 -0.387 74.338 1.00 9.07 C ATOM 930 C ARG A 440 57.497 1.096 74.683 1.00 8.59 C ATOM 931 O ARG A 440 56.602 1.766 74.192 1.00 8.53 O ATOM 932 CB ARG A 440 57.054 -1.243 75.472 1.00 10.36 C ATOM 933 CG ARG A 440 56.818 -2.694 75.087 1.00 11.57 C ATOM 934 CD ARG A 440 56.358 -3.542 76.259 1.00 13.42 C ATOM 935 NE ARG A 440 54.970 -3.283 76.643 1.00 15.85 N ATOM 936 CZ ARG A 440 54.382 -3.761 77.742 1.00 18.22 C ATOM 937 NH1 ARG A 440 55.057 -4.536 78.599 1.00 19.70 N ATOM 938 NH2 ARG A 440 53.101 -3.466 77.994 1.00 20.08 N ATOM 939 HE ARG A 440 54.400 -2.683 76.014 1.00 0.00 H ATOM 940 HH12 ARG A 440 54.586 -4.901 79.451 1.00 0.00 H ATOM 941 HH11 ARG A 440 56.052 -4.773 78.413 1.00 0.00 H ATOM 942 HH22 ARG A 440 52.641 -3.837 78.849 1.00 0.00 H ATOM 943 HH21 ARG A 440 52.566 -2.866 77.334 1.00 0.00 H ATOM 944 H ARG A 440 59.466 -1.535 74.602 1.00 0.00 H ATOM 945 N LYS A 441 58.409 1.604 75.504 1.00 8.24 N ATOM 946 CA LYS A 441 58.429 3.031 75.870 1.00 7.96 C ATOM 947 C LYS A 441 58.712 3.929 74.659 1.00 7.39 C ATOM 948 O LYS A 441 58.055 4.953 74.459 1.00 7.18 O ATOM 949 CB LYS A 441 59.461 3.268 76.972 1.00 8.25 C ATOM 950 CG LYS A 441 58.990 2.724 78.320 1.00 8.75 C ATOM 951 CD LYS A 441 60.105 2.619 79.342 1.00 9.11 C ATOM 952 CE LYS A 441 60.503 3.987 79.875 1.00 9.32 C ATOM 953 NZ LYS A 441 61.541 3.867 80.933 1.00 9.63 N ATOM 954 HZ1 LYS A 441 61.168 3.298 81.720 1.00 0.00 H ATOM 955 HZ2 LYS A 441 62.385 3.404 80.538 1.00 0.00 H ATOM 956 HZ3 LYS A 441 61.793 4.815 81.278 1.00 0.00 H ATOM 957 H LYS A 441 59.134 0.973 75.902 1.00 0.00 H ATOM 958 N LEU A 442 59.705 3.554 73.859 1.00 6.87 N ATOM 959 CA LEU A 442 60.011 4.320 72.646 1.00 6.45 C ATOM 960 C LEU A 442 58.868 4.232 71.632 1.00 6.15 C ATOM 961 O LEU A 442 58.525 5.236 70.993 1.00 5.98 O ATOM 962 CB LEU A 442 61.355 3.912 72.020 1.00 6.31 C ATOM 963 CG LEU A 442 61.882 4.906 70.976 1.00 6.20 C ATOM 964 CD1 LEU A 442 62.181 6.257 71.628 1.00 6.39 C ATOM 965 CD2 LEU A 442 63.113 4.354 70.270 1.00 6.18 C ATOM 966 H LEU A 442 60.269 2.712 74.095 1.00 0.00 H ATOM 967 N GLN A 443 58.248 3.061 71.516 1.00 6.00 N ATOM 968 CA GLN A 443 57.112 2.912 70.625 1.00 5.83 C ATOM 969 C GLN A 443 55.937 3.780 71.071 1.00 5.95 C ATOM 970 O GLN A 443 55.260 4.372 70.236 1.00 5.90 O ATOM 971 CB GLN A 443 56.671 1.451 70.453 1.00 5.89 C ATOM 972 CG GLN A 443 55.570 1.341 69.408 1.00 5.85 C ATOM 973 CD GLN A 443 55.373 -0.028 68.799 1.00 5.90 C ATOM 974 OE1 GLN A 443 55.836 -1.039 69.309 1.00 5.88 O ATOM 975 NE2 GLN A 443 54.653 -0.057 67.683 1.00 5.96 N ATOM 976 HE22 GLN A 443 54.278 0.827 67.283 1.00 0.00 H ATOM 977 HE21 GLN A 443 54.464 -0.963 67.209 1.00 0.00 H ATOM 978 H GLN A 443 58.580 2.245 72.069 1.00 0.00 H ATOM 979 N ASP A 444 55.713 3.893 72.379 1.00 6.10 N ATOM 980 CA ASP A 444 54.647 4.740 72.875 1.00 6.29 C ATOM 981 C ASP A 444 54.883 6.195 72.436 1.00 6.15 C ATOM 982 O ASP A 444 53.948 6.875 72.034 1.00 6.14 O ATOM 983 CB ASP A 444 54.532 4.590 74.401 1.00 6.65 C ATOM 984 CG ASP A 444 53.254 5.161 74.950 1.00 7.01 C ATOM 985 OD1 ASP A 444 52.197 4.504 74.831 1.00 7.20 O ATOM 986 OD2 ASP A 444 53.318 6.263 75.521 1.00 7.19 O ATOM 987 H ASP A 444 56.309 3.368 73.051 1.00 0.00 H ATOM 988 N VAL A 445 56.126 6.651 72.489 1.00 5.88 N ATOM 989 CA VAL A 445 56.455 8.006 72.066 1.00 5.69 C ATOM 990 C VAL A 445 56.165 8.165 70.570 1.00 5.33 C ATOM 991 O VAL A 445 55.561 9.141 70.133 1.00 5.35 O ATOM 992 CB VAL A 445 57.920 8.346 72.357 1.00 5.70 C ATOM 993 CG1 VAL A 445 58.290 9.664 71.698 1.00 5.65 C ATOM 994 CG2 VAL A 445 58.155 8.396 73.859 1.00 6.02 C ATOM 995 H VAL A 445 56.882 6.029 72.840 1.00 0.00 H ATOM 996 N PHE A 446 56.570 7.173 69.795 1.00 4.94 N ATOM 997 CA PHE A 446 56.360 7.195 68.363 1.00 4.68 C ATOM 998 C PHE A 446 54.846 7.230 68.035 1.00 4.76 C ATOM 999 O PHE A 446 54.374 8.125 67.321 1.00 4.66 O ATOM 1000 CB PHE A 446 57.035 5.975 67.696 1.00 4.49 C ATOM 1001 CG PHE A 446 56.602 5.785 66.267 1.00 4.42 C ATOM 1002 CD1 PHE A 446 57.086 6.594 65.276 1.00 4.36 C ATOM 1003 CD2 PHE A 446 55.641 4.847 65.936 1.00 4.42 C ATOM 1004 CE1 PHE A 446 56.643 6.462 63.960 1.00 4.35 C ATOM 1005 CE2 PHE A 446 55.215 4.690 64.631 1.00 4.44 C ATOM 1006 CZ PHE A 446 55.708 5.498 63.637 1.00 4.42 C ATOM 1007 H PHE A 446 57.051 6.357 70.225 1.00 0.00 H ATOM 1008 N GLU A 447 54.094 6.276 68.579 1.00 4.86 N ATOM 1009 CA GLU A 447 52.708 6.097 68.149 1.00 5.05 C ATOM 1010 C GLU A 447 51.853 7.305 68.502 1.00 5.41 C ATOM 1011 O GLU A 447 50.986 7.710 67.710 1.00 5.52 O ATOM 1012 CB GLU A 447 52.077 4.852 68.748 1.00 5.14 C ATOM 1013 CG GLU A 447 52.718 3.522 68.340 1.00 4.97 C ATOM 1014 CD GLU A 447 52.514 3.163 66.878 1.00 4.93 C ATOM 1015 OE1 GLU A 447 51.611 3.744 66.229 1.00 4.98 O ATOM 1016 OE2 GLU A 447 53.271 2.295 66.361 1.00 4.81 O ATOM 1017 H GLU A 447 54.493 5.656 69.312 1.00 0.00 H ATOM 1018 N PHE A 448 52.063 7.854 69.694 1.00 5.71 N ATOM 1019 CA PHE A 448 51.254 9.011 70.101 1.00 6.14 C ATOM 1020 C PHE A 448 51.534 10.243 69.254 1.00 6.08 C ATOM 1021 O PHE A 448 50.608 10.978 68.918 1.00 6.16 O ATOM 1022 CB PHE A 448 51.351 9.273 71.609 1.00 6.51 C ATOM 1023 CG PHE A 448 50.451 8.371 72.409 1.00 6.92 C ATOM 1024 CD1 PHE A 448 49.183 8.784 72.764 1.00 7.35 C ATOM 1025 CD2 PHE A 448 50.832 7.071 72.718 1.00 7.00 C ATOM 1026 CE1 PHE A 448 48.333 7.953 73.480 1.00 7.67 C ATOM 1027 CE2 PHE A 448 49.984 6.225 73.408 1.00 7.28 C ATOM 1028 CZ PHE A 448 48.729 6.668 73.794 1.00 7.63 C ATOM 1029 H PHE A 448 52.790 7.470 70.330 1.00 0.00 H ATOM 1030 N ARG A 449 52.784 10.471 68.853 1.00 5.99 N ATOM 1031 CA ARG A 449 53.023 11.630 68.006 1.00 6.03 C ATOM 1032 C ARG A 449 52.685 11.348 66.534 1.00 6.10 C ATOM 1033 O ARG A 449 52.170 12.216 65.843 1.00 6.10 O ATOM 1034 CB ARG A 449 54.449 12.152 68.171 1.00 5.93 C ATOM 1035 CG ARG A 449 54.691 13.406 67.365 1.00 5.98 C ATOM 1036 CD ARG A 449 56.013 14.041 67.698 1.00 5.96 C ATOM 1037 NE ARG A 449 56.265 15.135 66.766 1.00 6.07 N ATOM 1038 CZ ARG A 449 57.397 15.819 66.682 1.00 6.10 C ATOM 1039 NH1 ARG A 449 58.420 15.538 67.474 1.00 6.19 N ATOM 1040 NH2 ARG A 449 57.494 16.789 65.772 1.00 6.21 N ATOM 1041 HE ARG A 449 55.496 15.399 66.117 1.00 0.00 H ATOM 1042 HH12 ARG A 449 59.302 16.083 67.397 1.00 0.00 H ATOM 1043 HH11 ARG A 449 58.341 14.772 68.173 1.00 0.00 H ATOM 1044 HH22 ARG A 449 58.373 17.338 65.689 1.00 0.00 H ATOM 1045 HH21 ARG A 449 56.690 16.996 65.145 1.00 0.00 H ATOM 1046 H ARG A 449 53.562 9.842 69.136 1.00 0.00 H ATOM 1047 N TYR A 450 52.958 10.133 66.055 1.00 6.19 N ATOM 1048 CA TYR A 450 52.601 9.746 64.685 1.00 6.45 C ATOM 1049 C TYR A 450 51.098 9.954 64.446 1.00 7.16 C ATOM 1050 O TYR A 450 50.675 10.413 63.369 1.00 6.98 O ATOM 1051 CB TYR A 450 52.962 8.278 64.416 1.00 6.34 C ATOM 1052 CG TYR A 450 52.711 7.829 62.997 1.00 6.41 C ATOM 1053 CD1 TYR A 450 53.511 8.274 61.952 1.00 6.38 C ATOM 1054 CD2 TYR A 450 51.690 6.934 62.697 1.00 6.67 C ATOM 1055 CE1 TYR A 450 53.288 7.866 60.652 1.00 6.58 C ATOM 1056 CE2 TYR A 450 51.449 6.530 61.387 1.00 6.81 C ATOM 1057 CZ TYR A 450 52.249 6.991 60.369 1.00 6.80 C ATOM 1058 OH TYR A 450 52.023 6.592 59.060 1.00 7.17 O ATOM 1059 HH TYR A 450 52.106 5.608 58.997 1.00 0.00 H ATOM 1060 H TYR A 450 53.436 9.442 66.668 1.00 0.00 H ATOM 1061 N ALA A 451 50.311 9.651 65.481 1.00 7.98 N ATOM 1062 CA ALA A 451 48.851 9.775 65.415 1.00 9.12 C ATOM 1063 C ALA A 451 48.373 11.195 65.090 1.00 10.35 C ATOM 1064 O ALA A 451 47.246 11.373 64.602 1.00 10.52 O ATOM 1065 CB ALA A 451 48.226 9.315 66.718 1.00 9.19 C ATOM 1066 H ALA A 451 50.748 9.316 66.363 1.00 0.00 H ATOM 1067 N LYS A 452 49.202 12.191 65.390 1.00 12.12 N ATOM 1068 CA LYS A 452 48.888 13.600 65.107 1.00 14.34 C ATOM 1069 C LYS A 452 49.314 13.992 63.708 1.00 15.68 C ATOM 1070 O LYS A 452 49.789 15.101 63.479 1.00 16.04 O ATOM 1071 CB LYS A 452 49.577 14.509 66.122 1.00 15.11 C ATOM 1072 CG LYS A 452 49.266 14.135 67.561 1.00 16.18 C ATOM 1073 CD LYS A 452 49.860 15.140 68.529 1.00 17.84 C ATOM 1074 CE LYS A 452 49.602 14.723 69.968 1.00 19.26 C ATOM 1075 NZ LYS A 452 50.658 15.306 70.839 1.00 20.92 N ATOM 1076 HZ1 LYS A 452 51.589 14.957 70.534 1.00 0.00 H ATOM 1077 HZ2 LYS A 452 50.634 16.343 70.764 1.00 0.00 H ATOM 1078 HZ3 LYS A 452 50.487 15.024 71.825 1.00 0.00 H ATOM 1079 H LYS A 452 50.110 11.964 65.844 1.00 0.00 H ATOM 1080 N MET A 453 49.120 13.069 62.776 1.00 17.63 N ATOM 1081 CA MET A 453 49.471 13.249 61.377 1.00 19.08 C ATOM 1082 C MET A 453 48.695 14.429 60.793 1.00 19.91 C ATOM 1083 O MET A 453 47.471 14.479 60.909 1.00 19.21 O ATOM 1084 CB MET A 453 49.108 11.965 60.617 1.00 20.49 C ATOM 1085 CG MET A 453 49.537 11.916 59.152 1.00 21.55 C ATOM 1086 SD MET A 453 51.315 12.029 58.931 1.00 22.93 S ATOM 1087 CE MET A 453 51.860 10.520 59.733 1.00 22.59 C ATOM 1088 H MET A 453 48.693 12.165 63.062 1.00 0.00 H ATOM 1089 N PRO A 454 49.400 15.388 60.174 1.00 21.13 N ATOM 1090 CA PRO A 454 48.656 16.443 59.472 1.00 22.79 C ATOM 1091 C PRO A 454 47.882 15.865 58.290 1.00 24.68 C ATOM 1092 O PRO A 454 48.402 15.014 57.565 1.00 23.97 O ATOM 1093 CB PRO A 454 49.748 17.424 59.011 1.00 22.28 C ATOM 1094 CG PRO A 454 51.047 16.697 59.136 1.00 21.71 C ATOM 1095 CD PRO A 454 50.861 15.590 60.133 1.00 21.19 C ATOM 1096 N ASP A 455 46.640 16.312 58.118 1.00 27.62 N ATOM 1097 CA ASP A 455 45.745 15.763 57.093 1.00 30.72 C ATOM 1098 C ASP A 455 44.998 16.877 56.347 1.00 32.38 C ATOM 1099 O ASP A 455 43.941 16.645 55.751 1.00 35.04 O ATOM 1100 CB ASP A 455 44.765 14.749 57.723 1.00 32.34 C ATOM 1101 CG ASP A 455 43.914 15.353 58.846 1.00 33.30 C ATOM 1102 OD1 ASP A 455 43.729 16.587 58.877 1.00 34.33 O ATOM 1103 OD2 ASP A 455 43.421 14.585 59.702 1.00 34.42 O ATOM 1104 H ASP A 455 46.292 17.077 58.731 1.00 0.00 H TER 1105 ASP A 455 HETATM 1106 O HOH 2 61.428 10.974 47.232 1.00 13.41 O HETATM 1107 O HOH 3 48.962 4.361 61.981 1.00 7.05 O HETATM 1108 O HOH 4 59.112 0.700 54.724 1.00 7.65 O HETATM 1109 O HOH 5 52.374 2.240 57.408 1.00 6.46 O HETATM 1110 O HOH 6 48.780 8.822 56.544 1.00 24.99 O HETATM 1111 O HOH 7 52.138 10.409 53.585 1.00 13.47 O HETATM 1112 O HOH 8 50.769 3.983 59.031 1.00 13.85 O HETATM 1113 O HOH 9 68.524 5.168 51.043 1.00 15.95 O HETATM 1114 O HOH 10 48.605 7.791 59.033 1.00 28.16 O HETATM 1115 O HOH 11 72.464 7.877 59.634 1.00 25.48 O HETATM 1116 O HOH 12 61.981 10.807 52.559 1.00 19.80 O HETATM 1117 O HOH 13 48.284 3.241 59.538 1.00 11.59 O HETATM 1118 O HOH 14 46.856 4.244 57.169 1.00 20.23 O HETATM 1119 O HOH 15 47.423 8.071 61.379 1.00 27.19 O HETATM 1120 O HOH 16 66.558 16.824 58.667 1.00 20.16 O HETATM 1121 O HOH 17 53.948 10.007 42.444 1.00 29.12 O HETATM 1122 O HOH 18 53.773 2.990 51.466 1.00 30.18 O HETATM 1123 O HOH 19 57.281 11.922 48.301 1.00 25.67 O HETATM 1124 O HOH 20 65.775 2.613 48.022 1.00 23.38 O HETATM 1125 O HOH 21 66.490 13.085 58.868 1.00 22.44 O HETATM 1126 O HOH 22 54.726 11.166 39.804 1.00 11.17 O HETATM 1127 O HOH 23 56.711 13.009 40.967 1.00 20.27 O HETATM 1128 O HOH 24 57.313 12.119 43.582 1.00 19.20 O HETATM 1129 O HOH 25 56.460 4.368 49.240 1.00 27.47 O HETATM 1130 O HOH 26 66.389 1.490 51.071 1.00 37.44 O HETATM 1131 O HOH 27 68.750 13.909 59.543 1.00 32.73 O HETATM 1132 O HOH 28 70.511 -2.957 58.644 1.00 22.50 O HETATM 1133 O HOH 29 69.378 -2.210 61.101 1.00 7.95 O HETATM 1134 O HOH 30 69.567 -3.908 63.285 1.00 6.71 O HETATM 1135 O HOH 31 71.641 -5.658 62.311 1.00 6.06 O HETATM 1136 O HOH 32 66.929 -4.805 63.990 1.00 4.73 O HETATM 1137 O HOH 33 74.924 -7.941 63.063 1.00 10.79 O HETATM 1138 O HOH 34 72.303 -5.195 59.763 1.00 18.48 O HETATM 1139 O HOH 35 69.294 -10.356 58.984 1.00 9.37 O HETATM 1140 O HOH 36 67.251 -2.189 66.063 1.00 12.25 O HETATM 1141 O HOH 37 69.531 -1.542 67.179 1.00 6.98 O HETATM 1142 O HOH 38 74.622 -3.743 68.641 1.00 16.22 O HETATM 1143 O HOH 39 65.997 -6.320 67.500 1.00 9.94 O HETATM 1144 O HOH 40 65.155 -3.754 66.920 1.00 15.21 O HETATM 1145 O HOH 41 62.716 -8.974 60.439 1.00 8.84 O HETATM 1146 O HOH 42 62.237 -11.821 60.409 1.00 15.32 O HETATM 1147 O HOH 43 76.330 -1.471 64.615 1.00 19.03 O HETATM 1148 O HOH 44 67.020 9.381 71.991 1.00 5.73 O HETATM 1149 O HOH 45 65.758 9.529 78.491 1.00 13.03 O HETATM 1150 O HOH 46 67.332 -6.770 77.594 1.00 18.41 O HETATM 1151 O HOH 47 59.031 -10.545 73.388 1.00 13.64 O HETATM 1152 O HOH 48 57.002 -11.751 69.974 1.00 17.19 O HETATM 1153 O HOH 49 56.243 -12.241 72.968 1.00 42.19 O HETATM 1154 O HOH 50 66.695 -7.923 81.006 1.00 25.45 O HETATM 1155 O HOH 51 60.051 -6.183 79.440 1.00 22.09 O HETATM 1156 O HOH 52 62.699 -1.352 54.818 1.00 17.96 O HETATM 1157 O HOH 53 61.027 1.375 52.607 1.00 16.78 O HETATM 1158 O HOH 54 49.986 5.941 66.055 1.00 10.61 O HETATM 1159 O HOH 55 55.834 -2.275 66.025 1.00 11.02 O HETATM 1160 O HOH 56 62.397 16.810 69.588 1.00 12.90 O HETATM 1161 O HOH 57 72.719 -15.190 62.605 1.00 13.09 O HETATM 1162 O HOH 58 66.246 -18.660 59.493 1.00 16.81 O HETATM 1163 O HOH 59 68.868 16.164 71.910 1.00 21.22 O HETATM 1164 O HOH 60 66.041 16.489 73.953 1.00 21.23 O HETATM 1165 O HOH 61 70.998 11.300 72.435 1.00 36.90 O HETATM 1166 O HOH 62 73.133 -1.195 68.173 1.00 30.24 O HETATM 1167 O HOH 63 55.158 17.117 64.430 1.00 26.15 O HETATM 1168 O HOH 64 67.519 14.717 67.534 1.00 20.73 O HETATM 1169 O HOH 65 45.443 6.550 56.384 1.00 28.13 O HETATM 1170 O HOH 66 52.540 12.841 71.324 1.00 25.91 O HETATM 1171 O HOH 67 75.364 -14.721 74.387 1.00 24.28 O HETATM 1172 O HOH 68 74.041 -12.857 73.889 1.00 34.74 O HETATM 1173 O HOH 69 77.518 -9.259 63.383 1.00 29.77 O HETATM 1174 O HOH 70 77.461 -13.993 64.547 1.00 25.73 O HETATM 1175 CAW UNN A 71 71.958 -11.265 73.107 1.00 0.07 C HETATM 1176 OAU UNN A 71 70.747 -10.615 72.718 1.00 -0.28 O HETATM 1177 CAT UNN A 71 70.833 -9.259 72.676 1.00 0.24 C HETATM 1178 OAV UNN A 71 71.655 -8.620 73.341 1.00 -0.37 O HETATM 1179 CAS UNN A 71 69.801 -8.565 71.741 1.00 0.09 C HETATM 1180 CBD UNN A 71 70.078 -8.929 70.270 1.00 -0.04 C HETATM 1181 H5 UNN A 71 69.995 -10.018 70.140 1.00 0.03 H HETATM 1182 H6 UNN A 71 71.092 -8.603 69.996 1.00 0.03 H HETATM 1183 H7 UNN A 71 69.344 -8.426 69.623 1.00 0.03 H HETATM 1184 CAI UNN A 71 69.927 -7.056 71.869 1.00 0.11 C HETATM 1185 NAH UNN A 71 69.848 -6.529 73.274 1.00 -0.32 N HETATM 1186 CAG UNN A 71 70.301 -5.298 73.594 1.00 0.05 C HETATM 1187 CAD UNN A 71 70.794 -4.463 72.587 1.00 0.04 C HETATM 1188 CAE UNN A 71 70.205 -4.317 71.317 1.00 0.11 C HETATM 1189 NAK UNN A 71 69.112 -4.997 70.880 1.00 -0.17 N HETATM 1190 CAJ UNN A 71 68.987 -6.304 71.127 1.00 0.16 C HETATM 1191 NAN UNN A 71 67.834 -6.755 70.603 1.00 -0.28 N HETATM 1192 NAO UNN A 71 67.260 -5.825 70.055 1.00 -0.28 N HETATM 1193 CAP UNN A 71 68.010 -4.716 70.187 1.00 0.14 C HETATM 1194 CAR UNN A 71 67.634 -3.349 69.623 1.00 0.02 C HETATM 1195 H9 UNN A 71 66.670 -3.421 69.099 1.00 0.05 H HETATM 1196 H10 UNN A 71 68.411 -3.017 68.918 1.00 0.05 H HETATM 1197 H11 UNN A 71 67.550 -2.623 70.445 1.00 0.05 H HETATM 1198 CAF UNN A 71 70.823 -3.466 70.394 1.00 -0.03 C HETATM 1199 CAA UNN A 71 71.979 -2.759 70.748 1.00 -0.03 C HETATM 1200 CAB UNN A 71 72.556 -2.908 72.014 1.00 0.09 C HETATM 1201 OAL UNN A 71 73.690 -2.249 72.433 1.00 -0.32 O HETATM 1202 CAM UNN A 71 74.485 -1.512 71.487 1.00 0.06 C HETATM 1203 H14 UNN A 71 75.343 -1.058 72.004 1.00 0.06 H HETATM 1204 H15 UNN A 71 73.872 -0.721 71.030 1.00 0.06 H HETATM 1205 H16 UNN A 71 74.848 -2.193 70.704 1.00 0.06 H HETATM 1206 CAC UNN A 71 71.953 -3.766 72.928 1.00 -0.02 C HETATM 1207 H17 UNN A 71 72.387 -3.894 73.913 1.00 0.06 H HETATM 1208 H13 UNN A 71 72.434 -2.086 70.030 1.00 0.06 H HETATM 1209 H12 UNN A 71 70.405 -3.353 69.400 1.00 0.06 H HETATM 1210 CAQ UNN A 71 70.174 -4.838 74.916 1.00 0.01 C HETATM 1211 CAX UNN A 71 70.300 -5.726 75.993 1.00 -0.04 C HETATM 1212 CAY UNN A 71 70.163 -5.268 77.304 1.00 -0.04 C HETATM 1213 CAZ UNN A 71 69.895 -3.922 77.555 1.00 0.05 C HETATM 1214 CL1 UNN A 71 69.721 -3.356 79.188 1.00 -0.06 CL HETATM 1215 CBA UNN A 71 69.768 -3.036 76.495 1.00 -0.04 C HETATM 1216 CBB UNN A 71 69.906 -3.491 75.185 1.00 -0.04 C HETATM 1217 H21 UNN A 71 69.804 -2.792 74.363 1.00 0.07 H HETATM 1218 H20 UNN A 71 69.561 -1.989 76.686 1.00 0.06 H HETATM 1219 H19 UNN A 71 70.265 -5.961 78.131 1.00 0.06 H HETATM 1220 H18 UNN A 71 70.505 -6.774 75.807 1.00 0.07 H HETATM 1221 H8 UNN A 71 70.926 -6.809 71.480 1.00 0.07 H HETATM 1222 H4 UNN A 71 68.785 -8.882 72.019 1.00 0.06 H HETATM 1223 H1 UNN A 71 71.803 -12.354 73.115 1.00 0.06 H HETATM 1224 H2 UNN A 71 72.248 -10.928 74.113 1.00 0.06 H HETATM 1225 H3 UNN A 71 72.755 -11.014 72.392 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1175 1176 1223 1224 1225 CONECT 1176 1175 1177 CONECT 1177 1176 1178 1179 CONECT 1178 1177 CONECT 1179 1177 1180 1184 1222 CONECT 1180 1179 1181 1182 1183 CONECT 1181 1180 CONECT 1182 1180 CONECT 1183 1180 CONECT 1184 1179 1185 1190 1221 CONECT 1185 1184 1186 CONECT 1186 1185 1187 1210 CONECT 1187 1186 1188 1206 CONECT 1188 1187 1189 1198 CONECT 1189 1188 1190 1193 CONECT 1190 1184 1189 1191 CONECT 1191 1190 1192 CONECT 1192 1191 1193 CONECT 1193 1189 1192 1194 CONECT 1194 1193 1195 1196 1197 CONECT 1195 1194 CONECT 1196 1194 CONECT 1197 1194 CONECT 1198 1188 1199 1209 CONECT 1199 1198 1200 1208 CONECT 1200 1199 1201 1206 CONECT 1201 1200 1202 CONECT 1202 1201 1203 1204 1205 CONECT 1203 1202 CONECT 1204 1202 CONECT 1205 1202 CONECT 1206 1187 1200 1207 CONECT 1207 1206 CONECT 1208 1199 CONECT 1209 1198 CONECT 1210 1186 1211 1216 CONECT 1211 1210 1212 1220 CONECT 1212 1211 1213 1219 CONECT 1213 1212 1214 1215 CONECT 1214 1213 CONECT 1215 1213 1216 1218 CONECT 1216 1210 1215 1217 CONECT 1217 1216 CONECT 1218 1215 CONECT 1219 1212 CONECT 1220 1211 CONECT 1221 1184 CONECT 1222 1179 CONECT 1223 1175 CONECT 1224 1175 CONECT 1225 1175 MASTER 0 0 0 0 0 0 0 0 1224 1 55 9 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 4qev
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4j1p
RCSB PDB
PDBbind
114aa, >4J1P_1|Chain... at 98%
4mr5
RCSB PDB
PDBbind
114aa, >4MR5_1|Chain... at 98%
4mr6
RCSB PDB
PDBbind
114aa, >4MR6_1|Chain... at 98%
4qew
RCSB PDB
PDBbind
114aa, >4QEW_1|Chain... at 97%
4uyg
RCSB PDB
PDBbind
157aa, >4UYG_1|Chains... *
5dw1
RCSB PDB
PDBbind
113aa, >5DW1_1|Chains... at 98%
5ek9
RCSB PDB
PDBbind
114aa, >5EK9_1|Chains... at 98%
5u6v
RCSB PDB
PDBbind
110aa, >5U6V_1|Chain... at 99%
6moa
RCSB PDB
PDBbind
110aa, >6MOA_1|Chain... at 100%
6k04
RCSB PDB
PDBbind
112aa, >6K04_1|Chain... at 100%
6ffg
RCSB PDB
PDBbind
115aa, >6FFG_1|Chain... at 97%
6fff
RCSB PDB
PDBbind
115aa, >6FFF_1|Chain... at 97%
6ffe
RCSB PDB
PDBbind
115aa, >6FFE_1|Chain... at 97%
6e6j
RCSB PDB
PDBbind
112aa, >6E6J_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4qev
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Bromodomain-containing protein 2, BRD2(BD2) L383A mutant
Ligand Name
31O
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=22nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Science Vol. 346: pp. 638-641
Ligand Properties
Formula
C
2
2
H
2
1
ClN
4
O
3
Molecular Weight
424.880
Exact Mass
424.130
No. of atoms
51
No. of bonds
54
Polar Surface Area
78.6
LOGP Value
3.63 (
Computed with XLOGP3
)
3.37 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
Canonical SMILES
COC(=O)[C@@H]([C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC)C
InChI String
InChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-10-9-16(29-3)11-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P25440
Entrez Gene ID
NCBI Entrez Gene ID:
6046
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓