Browse entries in the PDBbind-CN Database
HEADER 5DW1_COMPLEX COMPND 5DW1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 111 LYS LEU SER GLU GLN LEU LYS HIS CYS ASN GLY ILE LEU SEQRES 2 A 111 LYS GLU LEU LEU SER LYS LYS HIS ALA ALA TYR ALA TRP SEQRES 3 A 111 PRO PHE TYR LYS PRO VAL ASP ALA SER ALA LEU GLY LEU SEQRES 4 A 111 HIS ASP TYR HIS ASP ILE ILE LYS HIS PRO MET ASP LEU SEQRES 5 A 111 SER THR VAL LYS ARG LYS MET GLU ASN ARG ASP TYR ARG SEQRES 6 A 111 ASP ALA GLN GLU PHE ALA ALA ASP VAL ARG LEU MET PHE SEQRES 7 A 111 SER ASN CYS TYR LYS TYR ASN PRO PRO ASP HIS ASP VAL SEQRES 8 A 111 VAL ALA MET ALA ARG LYS LEU GLN ASP VAL PHE GLU PHE SEQRES 9 A 111 ARG TYR ALA LYS MET PRO ASP HET UNN A 264 61 ATOM 1 N LYS A 345 48.925 8.040 -28.551 1.00 64.98 N ATOM 2 CA LYS A 345 47.747 7.241 -28.141 1.00 71.89 C ATOM 3 C LYS A 345 46.411 7.919 -28.484 1.00 70.16 C ATOM 4 O LYS A 345 45.427 7.208 -28.675 1.00 83.30 O ATOM 5 CB LYS A 345 47.797 6.929 -26.632 1.00 71.91 C ATOM 6 CG LYS A 345 49.030 6.138 -26.182 1.00 71.72 C ATOM 7 CD LYS A 345 49.123 6.005 -24.661 1.00 71.08 C ATOM 8 CE LYS A 345 48.320 4.817 -24.137 1.00 74.71 C ATOM 9 NZ LYS A 345 48.060 4.862 -22.669 1.00 75.71 N ATOM 10 HZ1 LYS A 345 48.966 4.871 -22.158 1.00 0.00 H ATOM 11 HZ2 LYS A 345 47.522 5.722 -22.440 1.00 0.00 H ATOM 12 HZ3 LYS A 345 47.511 4.024 -22.390 1.00 0.00 H ATOM 13 HN3 LYS A 345 48.904 8.960 -28.067 1.00 0.00 H ATOM 14 HN2 LYS A 345 48.901 8.188 -29.580 1.00 0.00 H ATOM 15 HN1 LYS A 345 49.794 7.531 -28.293 1.00 0.00 H ATOM 16 N LEU A 346 46.362 9.258 -28.539 1.00 63.46 N ATOM 17 CA LEU A 346 45.090 9.980 -28.785 1.00 49.52 C ATOM 18 C LEU A 346 45.087 10.853 -30.019 1.00 42.94 C ATOM 19 O LEU A 346 45.974 11.671 -30.257 1.00 44.34 O ATOM 20 CB LEU A 346 44.656 10.866 -27.583 1.00 47.41 C ATOM 21 CG LEU A 346 44.282 10.286 -26.235 1.00 46.38 C ATOM 22 CD1 LEU A 346 43.944 11.438 -25.310 1.00 44.73 C ATOM 23 CD2 LEU A 346 43.148 9.303 -26.326 1.00 43.70 C ATOM 24 H LEU A 346 47.237 9.804 -28.406 1.00 0.00 H ATOM 25 N SER A 347 43.972 10.777 -30.741 1.00 45.65 N ATOM 26 CA SER A 347 43.705 11.669 -31.862 1.00 40.22 C ATOM 27 C SER A 347 43.625 13.133 -31.439 1.00 37.20 C ATOM 28 O SER A 347 43.417 13.464 -30.201 1.00 32.29 O ATOM 29 CB SER A 347 42.377 11.240 -32.503 1.00 41.15 C ATOM 30 OG SER A 347 41.247 11.565 -31.636 1.00 35.48 O ATOM 31 HG SER A 347 40.405 11.279 -32.072 1.00 0.00 H ATOM 32 H SER A 347 43.265 10.054 -30.496 1.00 0.00 H ATOM 33 N GLU A 348 43.697 14.018 -32.416 1.00 38.05 N ATOM 34 CA GLU A 348 43.577 15.410 -32.169 1.00 36.05 C ATOM 35 C GLU A 348 42.187 15.674 -31.455 1.00 31.10 C ATOM 36 O GLU A 348 42.098 16.552 -30.567 1.00 31.90 O ATOM 37 CB GLU A 348 43.740 16.241 -33.454 1.00 40.91 C ATOM 38 CG GLU A 348 43.890 17.726 -33.160 1.00 49.87 C ATOM 39 CD GLU A 348 43.855 18.678 -34.373 1.00 57.58 C ATOM 40 OE1 GLU A 348 44.274 19.836 -34.169 1.00 61.23 O ATOM 41 OE2 GLU A 348 43.395 18.316 -35.487 1.00 62.60 O ATOM 42 H GLU A 348 43.845 13.687 -33.391 1.00 0.00 H ATOM 43 N GLN A 349 41.179 14.904 -31.861 1.00 29.92 N ATOM 44 CA GLN A 349 39.842 15.178 -31.335 1.00 29.51 C ATOM 45 C GLN A 349 39.701 14.635 -29.921 1.00 33.08 C ATOM 46 O GLN A 349 39.095 15.305 -29.074 1.00 28.62 O ATOM 47 CB GLN A 349 38.740 14.677 -32.225 1.00 26.75 C ATOM 48 CG GLN A 349 38.590 15.492 -33.511 1.00 31.34 C ATOM 49 CD GLN A 349 37.300 15.205 -34.218 1.00 40.51 C ATOM 50 OE1 GLN A 349 36.731 14.135 -34.044 1.00 41.16 O ATOM 51 NE2 GLN A 349 36.786 16.196 -34.965 1.00 46.51 N ATOM 52 HE22 GLN A 349 37.311 17.086 -35.081 1.00 0.00 H ATOM 53 HE21 GLN A 349 35.863 16.073 -35.428 1.00 0.00 H ATOM 54 H GLN A 349 41.338 14.128 -32.535 1.00 0.00 H ATOM 55 N LEU A 350 40.239 13.469 -29.666 1.00 28.79 N ATOM 56 CA LEU A 350 40.169 12.908 -28.279 1.00 30.24 C ATOM 57 C LEU A 350 41.124 13.649 -27.334 1.00 29.51 C ATOM 58 O LEU A 350 40.794 13.860 -26.209 1.00 28.31 O ATOM 59 CB LEU A 350 40.334 11.402 -28.258 1.00 30.17 C ATOM 60 CG LEU A 350 39.078 10.651 -28.761 1.00 32.37 C ATOM 61 CD1 LEU A 350 39.476 9.218 -28.985 1.00 37.89 C ATOM 62 CD2 LEU A 350 37.993 10.676 -27.729 1.00 33.62 C ATOM 63 H LEU A 350 40.712 12.935 -30.423 1.00 0.00 H ATOM 64 N LYS A 351 42.259 14.193 -27.802 1.00 27.83 N ATOM 65 CA LYS A 351 42.975 15.137 -26.958 1.00 27.55 C ATOM 66 C LYS A 351 42.168 16.344 -26.582 1.00 28.70 C ATOM 67 O LYS A 351 42.242 16.829 -25.451 1.00 29.19 O ATOM 68 CB LYS A 351 44.249 15.629 -27.660 1.00 35.65 C ATOM 69 CG LYS A 351 45.361 14.611 -27.578 1.00 41.27 C ATOM 70 CD LYS A 351 46.591 15.227 -28.279 1.00 48.72 C ATOM 71 CE LYS A 351 47.579 14.194 -28.792 1.00 54.90 C ATOM 72 NZ LYS A 351 48.273 14.772 -29.995 1.00 56.48 N ATOM 73 HZ1 LYS A 351 47.569 14.991 -30.728 1.00 0.00 H ATOM 74 HZ2 LYS A 351 48.772 15.642 -29.721 1.00 0.00 H ATOM 75 HZ3 LYS A 351 48.956 14.081 -30.365 1.00 0.00 H ATOM 76 H LYS A 351 42.618 13.945 -28.746 1.00 0.00 H ATOM 77 N HIS A 352 41.411 16.875 -27.526 1.00 25.27 N ATOM 78 CA HIS A 352 40.581 18.032 -27.235 1.00 27.83 C ATOM 79 C HIS A 352 39.550 17.618 -26.105 1.00 23.30 C ATOM 80 O HIS A 352 39.341 18.390 -25.188 1.00 25.81 O ATOM 81 CB HIS A 352 39.862 18.544 -28.455 1.00 26.70 C ATOM 82 CG HIS A 352 38.975 19.720 -28.211 1.00 26.68 C ATOM 83 ND1 HIS A 352 39.424 21.035 -28.227 1.00 27.02 N ATOM 84 CD2 HIS A 352 37.637 19.792 -28.038 1.00 29.60 C ATOM 85 CE1 HIS A 352 38.417 21.855 -27.974 1.00 31.15 C ATOM 86 NE2 HIS A 352 37.322 21.111 -27.848 1.00 29.53 N ATOM 87 H HIS A 352 41.409 16.463 -28.481 1.00 0.00 H ATOM 88 N CYS A 353 39.007 16.435 -26.251 1.00 23.97 N ATOM 89 CA CYS A 353 38.065 15.878 -25.309 1.00 24.36 C ATOM 90 C CYS A 353 38.725 15.748 -23.910 1.00 23.72 C ATOM 91 O CYS A 353 38.126 16.046 -22.889 1.00 26.50 O ATOM 92 CB CYS A 353 37.503 14.555 -25.734 1.00 23.25 C ATOM 93 SG CYS A 353 36.341 14.677 -27.112 1.00 29.03 S ATOM 94 H CYS A 353 39.267 15.870 -27.085 1.00 0.00 H ATOM 95 N ASN A 354 39.947 15.241 -23.867 1.00 25.04 N ATOM 96 CA ASN A 354 40.670 15.099 -22.579 1.00 25.30 C ATOM 97 C ASN A 354 40.867 16.455 -21.968 1.00 24.85 C ATOM 98 O ASN A 354 40.683 16.639 -20.762 1.00 24.95 O ATOM 99 CB ASN A 354 42.014 14.399 -22.849 1.00 27.08 C ATOM 100 CG ASN A 354 42.555 13.732 -21.643 1.00 33.11 C ATOM 101 OD1 ASN A 354 41.851 13.278 -20.745 1.00 32.19 O ATOM 102 ND2 ASN A 354 43.857 13.670 -21.605 1.00 39.97 N ATOM 103 HD22 ASN A 354 44.419 14.066 -22.385 1.00 0.00 H ATOM 104 HD21 ASN A 354 44.333 13.225 -20.795 1.00 0.00 H ATOM 105 H ASN A 354 40.407 14.938 -24.749 1.00 0.00 H ATOM 106 N GLY A 355 41.160 17.461 -22.756 1.00 24.11 N ATOM 107 CA GLY A 355 41.221 18.796 -22.279 1.00 24.84 C ATOM 108 C GLY A 355 39.884 19.374 -21.725 1.00 24.36 C ATOM 109 O GLY A 355 39.824 20.114 -20.754 1.00 25.00 O ATOM 110 H GLY A 355 41.354 17.275 -23.761 1.00 0.00 H ATOM 111 N ILE A 356 38.774 19.004 -22.360 1.00 22.56 N ATOM 112 CA ILE A 356 37.480 19.325 -21.803 1.00 22.15 C ATOM 113 C ILE A 356 37.234 18.666 -20.456 1.00 20.47 C ATOM 114 O ILE A 356 36.765 19.316 -19.544 1.00 22.58 O ATOM 115 CB ILE A 356 36.325 18.890 -22.751 1.00 23.08 C ATOM 116 CG1 ILE A 356 36.439 19.705 -24.031 1.00 24.71 C ATOM 117 CG2 ILE A 356 34.997 19.090 -22.144 1.00 24.18 C ATOM 118 CD1 ILE A 356 35.528 19.238 -25.136 1.00 26.25 C ATOM 119 H ILE A 356 38.838 18.483 -23.258 1.00 0.00 H ATOM 120 N LEU A 357 37.589 17.388 -20.340 1.00 21.01 N ATOM 121 CA LEU A 357 37.489 16.649 -19.101 1.00 23.58 C ATOM 122 C LEU A 357 38.267 17.384 -17.996 1.00 20.84 C ATOM 123 O LEU A 357 37.700 17.601 -16.905 1.00 23.12 O ATOM 124 CB LEU A 357 37.924 15.215 -19.267 1.00 22.84 C ATOM 125 CG LEU A 357 37.889 14.321 -18.068 1.00 28.03 C ATOM 126 CD1 LEU A 357 36.454 14.322 -17.537 1.00 29.79 C ATOM 127 CD2 LEU A 357 38.358 12.947 -18.512 1.00 32.01 C ATOM 128 H LEU A 357 37.956 16.898 -21.181 1.00 0.00 H ATOM 129 N LYS A 358 39.517 17.739 -18.280 1.00 22.42 N ATOM 130 CA LYS A 358 40.333 18.516 -17.337 1.00 26.37 C ATOM 131 C LYS A 358 39.675 19.809 -16.937 1.00 25.90 C ATOM 132 O LYS A 358 39.651 20.133 -15.703 1.00 27.27 O ATOM 133 CB LYS A 358 41.770 18.659 -17.860 1.00 29.94 C ATOM 134 CG LYS A 358 42.440 17.309 -17.822 1.00 33.59 C ATOM 135 CD LYS A 358 43.810 17.457 -18.502 1.00 42.67 C ATOM 136 CE LYS A 358 44.357 16.083 -18.841 1.00 51.18 C ATOM 137 NZ LYS A 358 45.699 16.211 -19.506 1.00 55.37 N ATOM 138 HZ1 LYS A 358 45.600 16.765 -20.381 1.00 0.00 H ATOM 139 HZ2 LYS A 358 46.359 16.693 -18.862 1.00 0.00 H ATOM 140 HZ3 LYS A 358 46.064 15.264 -19.733 1.00 0.00 H ATOM 141 H LYS A 358 39.928 17.459 -19.194 1.00 0.00 H ATOM 142 N GLU A 359 39.070 20.519 -17.901 1.00 23.91 N ATOM 143 CA GLU A 359 38.354 21.714 -17.643 1.00 24.17 C ATOM 144 C GLU A 359 37.144 21.507 -16.740 1.00 23.27 C ATOM 145 O GLU A 359 36.916 22.273 -15.814 1.00 25.36 O ATOM 146 CB GLU A 359 37.936 22.339 -18.968 1.00 24.03 C ATOM 147 CG GLU A 359 37.165 23.631 -18.842 1.00 27.14 C ATOM 148 CD GLU A 359 38.034 24.811 -18.449 1.00 32.42 C ATOM 149 OE1 GLU A 359 39.262 24.762 -18.616 1.00 37.11 O ATOM 150 OE2 GLU A 359 37.470 25.790 -17.986 1.00 35.23 O ATOM 151 H GLU A 359 39.129 20.177 -18.881 1.00 0.00 H ATOM 152 N LEU A 360 36.404 20.429 -16.949 1.00 22.44 N ATOM 153 CA LEU A 360 35.232 20.184 -16.175 1.00 20.33 C ATOM 154 C LEU A 360 35.515 19.780 -14.732 1.00 22.60 C ATOM 155 O LEU A 360 34.715 20.002 -13.819 1.00 24.33 O ATOM 156 CB LEU A 360 34.369 19.079 -16.763 1.00 20.71 C ATOM 157 CG LEU A 360 33.766 19.378 -18.121 1.00 21.72 C ATOM 158 CD1 LEU A 360 32.986 18.159 -18.557 1.00 25.65 C ATOM 159 CD2 LEU A 360 32.932 20.612 -18.233 1.00 22.37 C ATOM 160 H LEU A 360 36.682 19.752 -17.688 1.00 0.00 H ATOM 161 N LEU A 361 36.725 19.255 -14.530 1.00 22.51 N ATOM 162 CA LEU A 361 37.203 18.858 -13.126 1.00 25.02 C ATOM 163 C LEU A 361 38.033 19.969 -12.482 1.00 28.68 C ATOM 164 O LEU A 361 38.541 19.776 -11.385 1.00 30.19 O ATOM 165 CB LEU A 361 38.064 17.630 -13.285 1.00 23.47 C ATOM 166 CG LEU A 361 37.411 16.288 -13.718 1.00 25.40 C ATOM 167 CD1 LEU A 361 38.358 15.122 -14.023 1.00 29.20 C ATOM 168 CD2 LEU A 361 36.414 15.888 -12.650 1.00 26.42 C ATOM 169 H LEU A 361 37.359 19.111 -15.342 1.00 0.00 H ATOM 170 N SER A 362 38.168 21.110 -13.106 1.00 25.13 N ATOM 171 CA SER A 362 39.103 22.211 -12.603 1.00 25.47 C ATOM 172 C SER A 362 38.385 23.004 -11.559 1.00 26.57 C ATOM 173 O SER A 362 37.168 23.105 -11.481 1.00 24.69 O ATOM 174 CB SER A 362 39.576 23.081 -13.767 1.00 28.28 C ATOM 175 OG SER A 362 38.606 23.960 -14.260 1.00 31.44 O ATOM 176 HG SER A 362 37.827 23.442 -14.583 1.00 0.00 H ATOM 177 H SER A 362 37.620 21.275 -13.975 1.00 0.00 H ATOM 178 N LYS A 363 39.184 23.650 -10.657 1.00 26.06 N ATOM 179 CA LYS A 363 38.626 24.394 -9.570 1.00 26.02 C ATOM 180 C LYS A 363 37.703 25.517 -9.972 1.00 22.18 C ATOM 181 O LYS A 363 36.777 25.841 -9.247 1.00 24.74 O ATOM 182 CB LYS A 363 39.863 24.803 -8.659 1.00 30.57 C ATOM 183 CG LYS A 363 39.919 26.116 -7.974 1.00 42.61 C ATOM 184 CD LYS A 363 41.363 26.226 -7.388 1.00 34.65 C ATOM 185 CE LYS A 363 42.315 27.061 -8.251 1.00 40.80 C ATOM 186 NZ LYS A 363 43.734 27.117 -7.740 1.00 37.03 N ATOM 187 HZ1 LYS A 363 43.742 27.535 -6.788 1.00 0.00 H ATOM 188 HZ2 LYS A 363 44.125 26.154 -7.701 1.00 0.00 H ATOM 189 HZ3 LYS A 363 44.309 27.700 -8.381 1.00 0.00 H ATOM 190 H LYS A 363 40.217 23.600 -10.763 1.00 0.00 H ATOM 191 N LYS A 364 37.949 26.128 -11.130 1.00 26.97 N ATOM 192 CA LYS A 364 37.169 27.206 -11.676 1.00 29.72 C ATOM 193 C LYS A 364 35.652 26.852 -11.659 1.00 28.25 C ATOM 194 O LYS A 364 34.793 27.714 -11.430 1.00 28.50 O ATOM 195 CB LYS A 364 37.639 27.363 -13.119 1.00 37.32 C ATOM 196 CG LYS A 364 36.902 28.245 -14.052 1.00 44.16 C ATOM 197 CD LYS A 364 37.480 28.130 -15.478 1.00 45.08 C ATOM 198 CE LYS A 364 39.003 28.034 -15.635 1.00 51.25 C ATOM 199 NZ LYS A 364 39.583 26.653 -15.765 1.00 48.90 N ATOM 200 HZ1 LYS A 364 39.351 26.099 -14.916 1.00 0.00 H ATOM 201 HZ2 LYS A 364 39.182 26.188 -16.604 1.00 0.00 H ATOM 202 HZ3 LYS A 364 40.616 26.720 -15.865 1.00 0.00 H ATOM 203 H LYS A 364 38.768 25.800 -11.681 1.00 0.00 H ATOM 204 N HIS A 365 35.355 25.558 -11.898 1.00 25.54 N ATOM 205 CA HIS A 365 33.911 25.175 -11.979 1.00 24.40 C ATOM 206 C HIS A 365 33.418 24.384 -10.782 1.00 23.01 C ATOM 207 O HIS A 365 32.327 23.867 -10.781 1.00 23.92 O ATOM 208 CB HIS A 365 33.658 24.317 -13.249 1.00 22.31 C ATOM 209 CG HIS A 365 34.078 24.977 -14.507 1.00 22.69 C ATOM 210 ND1 HIS A 365 33.490 26.123 -14.966 1.00 24.62 N ATOM 211 CD2 HIS A 365 35.122 24.726 -15.329 1.00 23.00 C ATOM 212 CE1 HIS A 365 34.131 26.530 -16.062 1.00 25.45 C ATOM 213 NE2 HIS A 365 35.104 25.694 -16.303 1.00 25.66 N ATOM 214 H HIS A 365 36.106 24.849 -12.022 1.00 0.00 H ATOM 215 N ALA A 366 34.230 24.345 -9.705 1.00 24.63 N ATOM 216 CA ALA A 366 33.853 23.463 -8.603 1.00 26.44 C ATOM 217 C ALA A 366 32.572 23.774 -7.920 1.00 27.88 C ATOM 218 O ALA A 366 31.966 22.854 -7.333 1.00 28.37 O ATOM 219 CB ALA A 366 34.996 23.448 -7.571 1.00 29.79 C ATOM 220 H ALA A 366 35.094 24.922 -9.661 1.00 0.00 H ATOM 221 N ALA A 367 32.106 25.013 -7.923 1.00 24.69 N ATOM 222 CA ALA A 367 30.879 25.316 -7.213 1.00 27.38 C ATOM 223 C ALA A 367 29.668 24.538 -7.698 1.00 24.70 C ATOM 224 O ALA A 367 28.676 24.373 -6.990 1.00 26.28 O ATOM 225 CB ALA A 367 30.562 26.832 -7.243 1.00 29.08 C ATOM 226 H ALA A 367 32.616 25.763 -8.431 1.00 0.00 H ATOM 227 N TYR A 368 29.696 24.216 -9.002 1.00 22.16 N ATOM 228 CA TYR A 368 28.592 23.522 -9.623 1.00 22.80 C ATOM 229 C TYR A 368 28.972 22.175 -10.229 1.00 22.61 C ATOM 230 O TYR A 368 28.052 21.408 -10.545 1.00 22.19 O ATOM 231 CB TYR A 368 27.884 24.392 -10.706 1.00 21.33 C ATOM 232 CG TYR A 368 28.782 25.164 -11.605 1.00 21.48 C ATOM 233 CD1 TYR A 368 29.207 26.461 -11.223 1.00 24.98 C ATOM 234 CD2 TYR A 368 29.283 24.674 -12.787 1.00 22.12 C ATOM 235 CE1 TYR A 368 30.077 27.177 -12.022 1.00 24.70 C ATOM 236 CE2 TYR A 368 30.135 25.425 -13.616 1.00 24.00 C ATOM 237 CZ TYR A 368 30.514 26.677 -13.203 1.00 25.85 C ATOM 238 OH TYR A 368 31.401 27.415 -14.003 1.00 27.24 O ATOM 239 HH TYR A 368 31.578 28.290 -13.576 1.00 0.00 H ATOM 240 H TYR A 368 30.526 24.471 -9.574 1.00 0.00 H ATOM 241 N ALA A 369 30.243 21.857 -10.403 1.00 19.14 N ATOM 242 CA ALA A 369 30.667 20.617 -11.029 1.00 20.65 C ATOM 243 C ALA A 369 30.716 19.490 -10.005 1.00 22.01 C ATOM 244 O ALA A 369 30.643 18.318 -10.351 1.00 20.34 O ATOM 245 CB ALA A 369 32.048 20.726 -11.615 1.00 21.52 C ATOM 246 H ALA A 369 30.971 22.524 -10.077 1.00 0.00 H ATOM 247 N TRP A 370 30.843 19.818 -8.685 1.00 20.63 N ATOM 248 CA TRP A 370 31.185 18.780 -7.760 1.00 19.93 C ATOM 249 C TRP A 370 30.174 17.616 -7.633 1.00 21.16 C ATOM 250 O TRP A 370 30.652 16.505 -7.380 1.00 20.72 O ATOM 251 CB TRP A 370 31.561 19.339 -6.315 1.00 20.03 C ATOM 252 CG TRP A 370 30.361 19.910 -5.615 1.00 20.24 C ATOM 253 CD1 TRP A 370 29.901 21.246 -5.638 1.00 20.71 C ATOM 254 CD2 TRP A 370 29.458 19.217 -4.827 1.00 21.30 C ATOM 255 NE1 TRP A 370 28.726 21.335 -4.941 1.00 22.71 N ATOM 256 CE2 TRP A 370 28.439 20.108 -4.401 1.00 22.04 C ATOM 257 CE3 TRP A 370 29.395 17.907 -4.413 1.00 19.54 C ATOM 258 CZ2 TRP A 370 27.366 19.685 -3.605 1.00 25.40 C ATOM 259 CZ3 TRP A 370 28.372 17.506 -3.645 1.00 20.28 C ATOM 260 CH2 TRP A 370 27.383 18.333 -3.233 1.00 23.35 C ATOM 261 HE1 TRP A 370 28.146 22.192 -4.838 1.00 0.00 H ATOM 262 H TRP A 370 30.695 20.795 -8.361 1.00 0.00 H ATOM 263 N PRO A 371 28.861 17.784 -7.864 1.00 19.00 N ATOM 264 CA PRO A 371 27.963 16.645 -7.686 1.00 19.12 C ATOM 265 C PRO A 371 28.252 15.610 -8.815 1.00 19.85 C ATOM 266 O PRO A 371 27.742 14.491 -8.676 1.00 20.62 O ATOM 267 CB PRO A 371 26.549 17.225 -7.891 1.00 18.71 C ATOM 268 CG PRO A 371 26.745 18.646 -7.489 1.00 19.30 C ATOM 269 CD PRO A 371 28.068 19.032 -8.003 1.00 17.90 C ATOM 270 N PHE A 372 29.008 16.012 -9.861 1.00 18.19 N ATOM 271 CA PHE A 372 29.272 15.134 -10.967 1.00 18.31 C ATOM 272 C PHE A 372 30.631 14.437 -10.910 1.00 21.01 C ATOM 273 O PHE A 372 30.997 13.684 -11.837 1.00 22.39 O ATOM 274 CB PHE A 372 29.101 15.953 -12.274 1.00 19.59 C ATOM 275 CG PHE A 372 27.767 16.623 -12.333 1.00 18.77 C ATOM 276 CD1 PHE A 372 26.617 15.879 -12.634 1.00 19.51 C ATOM 277 CD2 PHE A 372 27.577 17.934 -11.938 1.00 20.75 C ATOM 278 CE1 PHE A 372 25.343 16.505 -12.523 1.00 19.47 C ATOM 279 CE2 PHE A 372 26.286 18.543 -11.851 1.00 20.47 C ATOM 280 CZ PHE A 372 25.200 17.781 -12.089 1.00 24.02 C ATOM 281 H PHE A 372 29.405 16.973 -9.865 1.00 0.00 H ATOM 282 N TYR A 373 31.448 14.732 -9.885 1.00 18.64 N ATOM 283 CA TYR A 373 32.743 14.158 -9.810 1.00 19.50 C ATOM 284 C TYR A 373 32.763 12.657 -9.566 1.00 23.52 C ATOM 285 O TYR A 373 33.656 11.992 -10.106 1.00 25.32 O ATOM 286 CB TYR A 373 33.527 14.804 -8.667 1.00 19.90 C ATOM 287 CG TYR A 373 33.895 16.204 -8.845 1.00 21.10 C ATOM 288 CD1 TYR A 373 33.912 16.887 -10.068 1.00 21.22 C ATOM 289 CD2 TYR A 373 34.333 16.972 -7.744 1.00 21.27 C ATOM 290 CE1 TYR A 373 34.268 18.231 -10.179 1.00 22.79 C ATOM 291 CE2 TYR A 373 34.727 18.288 -7.900 1.00 22.06 C ATOM 292 CZ TYR A 373 34.695 18.942 -9.091 1.00 22.92 C ATOM 293 OH TYR A 373 35.131 20.242 -9.207 1.00 22.91 O ATOM 294 HH TYR A 373 35.029 20.541 -10.145 1.00 0.00 H ATOM 295 H TYR A 373 31.129 15.386 -9.142 1.00 0.00 H ATOM 296 N LYS A 374 31.840 12.154 -8.828 1.00 19.80 N ATOM 297 CA LYS A 374 31.826 10.730 -8.446 1.00 21.90 C ATOM 298 C LYS A 374 30.461 10.198 -8.744 1.00 20.78 C ATOM 299 O LYS A 374 29.482 10.954 -8.807 1.00 22.60 O ATOM 300 CB LYS A 374 32.163 10.605 -6.939 1.00 24.68 C ATOM 301 CG LYS A 374 33.422 11.296 -6.490 1.00 27.43 C ATOM 302 CD LYS A 374 34.643 10.622 -7.109 1.00 39.95 C ATOM 303 CE LYS A 374 35.959 11.376 -6.935 1.00 56.23 C ATOM 304 NZ LYS A 374 36.753 10.821 -5.787 1.00 62.65 N ATOM 305 HZ1 LYS A 374 36.200 10.909 -4.910 1.00 0.00 H ATOM 306 HZ2 LYS A 374 36.965 9.819 -5.966 1.00 0.00 H ATOM 307 HZ3 LYS A 374 37.642 11.353 -5.693 1.00 0.00 H ATOM 308 H LYS A 374 31.076 12.773 -8.488 1.00 0.00 H ATOM 309 N PRO A 375 30.287 8.840 -8.791 1.00 20.41 N ATOM 310 CA PRO A 375 28.961 8.304 -8.977 1.00 22.32 C ATOM 311 C PRO A 375 27.945 8.703 -7.937 1.00 21.88 C ATOM 312 O PRO A 375 28.271 8.892 -6.767 1.00 23.83 O ATOM 313 CB PRO A 375 29.208 6.777 -8.924 1.00 21.69 C ATOM 314 CG PRO A 375 30.622 6.617 -9.277 1.00 23.15 C ATOM 315 CD PRO A 375 31.317 7.868 -8.763 1.00 22.56 C ATOM 316 N VAL A 376 26.761 8.906 -8.344 1.00 19.92 N ATOM 317 CA VAL A 376 25.657 9.227 -7.464 1.00 18.82 C ATOM 318 C VAL A 376 25.582 8.107 -6.414 1.00 22.84 C ATOM 319 O VAL A 376 25.341 6.969 -6.805 1.00 24.96 O ATOM 320 CB VAL A 376 24.334 9.399 -8.123 1.00 22.12 C ATOM 321 CG1 VAL A 376 23.211 9.488 -7.116 1.00 24.50 C ATOM 322 CG2 VAL A 376 24.317 10.583 -9.076 1.00 21.92 C ATOM 323 H VAL A 376 26.573 8.838 -9.365 1.00 0.00 H ATOM 324 N ASP A 377 25.676 8.421 -5.133 1.00 23.18 N ATOM 325 CA ASP A 377 25.650 7.350 -4.098 1.00 24.32 C ATOM 326 C ASP A 377 24.234 7.341 -3.594 1.00 25.55 C ATOM 327 O ASP A 377 23.847 8.034 -2.665 1.00 24.45 O ATOM 328 CB ASP A 377 26.631 7.709 -2.995 1.00 27.75 C ATOM 329 CG ASP A 377 26.701 6.647 -1.900 1.00 29.05 C ATOM 330 OD1 ASP A 377 25.803 5.804 -1.808 1.00 30.54 O ATOM 331 OD2 ASP A 377 27.780 6.691 -1.179 1.00 34.59 O ATOM 332 H ASP A 377 25.768 9.417 -4.848 1.00 0.00 H ATOM 333 N ALA A 378 23.393 6.571 -4.243 1.00 23.18 N ATOM 334 CA ALA A 378 21.970 6.578 -4.016 1.00 22.97 C ATOM 335 C ALA A 378 21.694 6.151 -2.557 1.00 24.78 C ATOM 336 O ALA A 378 20.830 6.788 -1.954 1.00 25.69 O ATOM 337 CB ALA A 378 21.314 5.622 -4.969 1.00 26.26 C ATOM 338 H ALA A 378 23.774 5.921 -4.960 1.00 0.00 H ATOM 339 N SER A 379 22.424 5.183 -2.025 1.00 25.22 N ATOM 340 CA SER A 379 22.058 4.778 -0.640 1.00 29.92 C ATOM 341 C SER A 379 22.388 5.913 0.351 1.00 26.58 C ATOM 342 O SER A 379 21.618 6.188 1.245 1.00 27.28 O ATOM 343 CB SER A 379 22.730 3.501 -0.215 1.00 35.91 C ATOM 344 OG SER A 379 24.121 3.620 -0.215 1.00 43.25 O ATOM 345 HG SER A 379 24.432 3.846 -1.127 1.00 0.00 H ATOM 346 H SER A 379 23.205 4.733 -2.543 1.00 0.00 H ATOM 347 N ALA A 380 23.521 6.528 0.160 1.00 28.56 N ATOM 348 CA ALA A 380 23.933 7.571 1.094 1.00 26.26 C ATOM 349 C ALA A 380 23.027 8.764 1.047 1.00 28.02 C ATOM 350 O ALA A 380 22.793 9.440 2.069 1.00 25.70 O ATOM 351 CB ALA A 380 25.330 7.947 0.887 1.00 27.46 C ATOM 352 H ALA A 380 24.125 6.278 -0.649 1.00 0.00 H ATOM 353 N LEU A 381 22.456 9.051 -0.126 1.00 25.17 N ATOM 354 CA LEU A 381 21.464 10.106 -0.278 1.00 25.48 C ATOM 355 C LEU A 381 20.061 9.766 -0.003 1.00 27.69 C ATOM 356 O LEU A 381 19.190 10.639 -0.005 1.00 34.56 O ATOM 357 CB LEU A 381 21.596 10.703 -1.737 1.00 27.58 C ATOM 358 CG LEU A 381 22.943 11.219 -2.096 1.00 27.43 C ATOM 359 CD1 LEU A 381 23.141 11.351 -3.651 1.00 29.05 C ATOM 360 CD2 LEU A 381 23.201 12.613 -1.517 1.00 33.86 C ATOM 361 H LEU A 381 22.731 8.499 -0.964 1.00 0.00 H ATOM 362 N GLY A 382 19.766 8.491 0.230 1.00 25.86 N ATOM 363 CA GLY A 382 18.459 8.023 0.469 1.00 29.50 C ATOM 364 C GLY A 382 17.548 7.962 -0.753 1.00 32.31 C ATOM 365 O GLY A 382 16.344 8.114 -0.657 1.00 37.50 O ATOM 366 H GLY A 382 20.544 7.800 0.236 1.00 0.00 H ATOM 367 N LEU A 383 18.160 7.787 -1.947 1.00 30.26 N ATOM 368 CA LEU A 383 17.415 7.766 -3.166 1.00 29.97 C ATOM 369 C LEU A 383 17.174 6.336 -3.519 1.00 31.59 C ATOM 370 O LEU A 383 17.891 5.715 -4.332 1.00 31.35 O ATOM 371 CB LEU A 383 18.175 8.509 -4.284 1.00 28.34 C ATOM 372 CG LEU A 383 18.514 9.917 -4.022 1.00 27.94 C ATOM 373 CD1 LEU A 383 19.426 10.443 -5.162 1.00 29.96 C ATOM 374 CD2 LEU A 383 17.209 10.748 -3.768 1.00 31.10 C ATOM 375 H LEU A 383 19.192 7.665 -1.978 1.00 0.00 H ATOM 376 N HIS A 384 16.148 5.751 -2.889 1.00 30.37 N ATOM 377 CA HIS A 384 16.023 4.304 -2.987 1.00 35.34 C ATOM 378 C HIS A 384 15.517 3.821 -4.302 1.00 31.84 C ATOM 379 O HIS A 384 15.656 2.678 -4.583 1.00 34.22 O ATOM 380 CB HIS A 384 15.203 3.810 -1.793 1.00 41.55 C ATOM 381 CG HIS A 384 15.893 4.111 -0.489 1.00 52.91 C ATOM 382 ND1 HIS A 384 17.253 3.894 -0.293 1.00 52.41 N ATOM 383 CD2 HIS A 384 15.430 4.668 0.662 1.00 56.61 C ATOM 384 CE1 HIS A 384 17.590 4.307 0.918 1.00 57.11 C ATOM 385 NE2 HIS A 384 16.501 4.769 1.519 1.00 58.43 N ATOM 386 H HIS A 384 15.461 6.313 -2.346 1.00 0.00 H ATOM 387 N ASP A 385 14.999 4.718 -5.141 1.00 30.33 N ATOM 388 CA ASP A 385 14.523 4.343 -6.460 1.00 29.99 C ATOM 389 C ASP A 385 15.495 4.828 -7.598 1.00 27.59 C ATOM 390 O ASP A 385 15.119 4.683 -8.771 1.00 29.81 O ATOM 391 CB ASP A 385 13.150 4.942 -6.720 1.00 31.48 C ATOM 392 CG ASP A 385 13.139 6.448 -6.599 1.00 32.47 C ATOM 393 OD1 ASP A 385 14.139 7.057 -6.078 1.00 35.43 O ATOM 394 OD2 ASP A 385 12.059 7.017 -6.958 1.00 35.29 O ATOM 395 H ASP A 385 14.934 5.712 -4.843 1.00 0.00 H ATOM 396 N TYR A 386 16.664 5.356 -7.218 1.00 27.42 N ATOM 397 CA TYR A 386 17.525 5.945 -8.279 1.00 22.28 C ATOM 398 C TYR A 386 17.846 4.887 -9.366 1.00 25.22 C ATOM 399 O TYR A 386 17.786 5.201 -10.551 1.00 24.74 O ATOM 400 CB TYR A 386 18.791 6.518 -7.642 1.00 21.41 C ATOM 401 CG TYR A 386 19.630 7.269 -8.671 1.00 20.15 C ATOM 402 CD1 TYR A 386 19.331 8.555 -8.947 1.00 22.42 C ATOM 403 CD2 TYR A 386 20.701 6.696 -9.260 1.00 22.28 C ATOM 404 CE1 TYR A 386 20.075 9.304 -9.868 1.00 21.40 C ATOM 405 CE2 TYR A 386 21.471 7.417 -10.178 1.00 24.97 C ATOM 406 CZ TYR A 386 21.122 8.717 -10.474 1.00 20.97 C ATOM 407 OH TYR A 386 21.872 9.460 -11.392 1.00 21.67 O ATOM 408 HH TYR A 386 21.480 10.365 -11.481 1.00 0.00 H ATOM 409 H TYR A 386 16.959 5.355 -6.221 1.00 0.00 H ATOM 410 N HIS A 387 18.306 3.737 -8.955 1.00 25.58 N ATOM 411 CA HIS A 387 18.755 2.682 -9.886 1.00 26.26 C ATOM 412 C HIS A 387 17.591 1.945 -10.545 1.00 28.97 C ATOM 413 O HIS A 387 17.805 1.263 -11.542 1.00 31.48 O ATOM 414 CB HIS A 387 19.719 1.753 -9.187 1.00 27.99 C ATOM 415 CG HIS A 387 20.989 2.443 -8.835 1.00 26.65 C ATOM 416 ND1 HIS A 387 21.859 2.900 -9.805 1.00 28.04 N ATOM 417 CD2 HIS A 387 21.474 2.876 -7.653 1.00 28.47 C ATOM 418 CE1 HIS A 387 22.887 3.490 -9.214 1.00 27.19 C ATOM 419 NE2 HIS A 387 22.671 3.502 -7.892 1.00 26.13 N ATOM 420 H HIS A 387 18.358 3.556 -7.932 1.00 0.00 H ATOM 421 N ASP A 388 16.372 2.210 -10.089 1.00 27.72 N ATOM 422 CA ASP A 388 15.186 1.750 -10.823 1.00 32.82 C ATOM 423 C ASP A 388 14.848 2.672 -11.996 1.00 32.73 C ATOM 424 O ASP A 388 14.262 2.259 -12.992 1.00 33.81 O ATOM 425 CB ASP A 388 13.969 1.538 -9.921 1.00 35.36 C ATOM 426 CG ASP A 388 14.246 0.608 -8.754 1.00 40.47 C ATOM 427 OD1 ASP A 388 15.011 -0.376 -8.886 1.00 48.60 O ATOM 428 OD2 ASP A 388 13.753 0.918 -7.657 1.00 51.35 O ATOM 429 H ASP A 388 16.257 2.747 -9.206 1.00 0.00 H ATOM 430 N ILE A 389 15.162 3.948 -11.880 1.00 26.42 N ATOM 431 CA ILE A 389 14.810 4.972 -12.846 1.00 24.79 C ATOM 432 C ILE A 389 15.951 5.238 -13.811 1.00 28.17 C ATOM 433 O ILE A 389 15.708 5.379 -15.029 1.00 27.91 O ATOM 434 CB ILE A 389 14.358 6.273 -12.141 1.00 26.84 C ATOM 435 CG1 ILE A 389 13.025 5.995 -11.356 1.00 32.05 C ATOM 436 CG2 ILE A 389 14.251 7.450 -13.105 1.00 26.78 C ATOM 437 CD1 ILE A 389 12.676 7.084 -10.428 1.00 38.95 C ATOM 438 H ILE A 389 15.699 4.240 -11.038 1.00 0.00 H ATOM 439 N ILE A 390 17.149 5.289 -13.268 1.00 24.56 N ATOM 440 CA ILE A 390 18.394 5.522 -14.009 1.00 23.88 C ATOM 441 C ILE A 390 19.018 4.162 -14.220 1.00 24.18 C ATOM 442 O ILE A 390 19.711 3.602 -13.355 1.00 28.45 O ATOM 443 CB ILE A 390 19.317 6.503 -13.285 1.00 24.46 C ATOM 444 CG1 ILE A 390 18.591 7.856 -13.054 1.00 22.03 C ATOM 445 CG2 ILE A 390 20.626 6.606 -14.074 1.00 24.63 C ATOM 446 CD1 ILE A 390 17.903 8.516 -14.258 1.00 24.42 C ATOM 447 H ILE A 390 17.218 5.154 -12.239 1.00 0.00 H ATOM 448 N LYS A 391 18.946 3.772 -15.498 1.00 25.28 N ATOM 449 CA LYS A 391 19.427 2.441 -15.876 1.00 31.37 C ATOM 450 C LYS A 391 20.947 2.384 -16.160 1.00 26.54 C ATOM 451 O LYS A 391 21.569 1.330 -16.121 1.00 26.91 O ATOM 452 CB LYS A 391 18.653 1.964 -17.125 1.00 36.87 C ATOM 453 CG LYS A 391 17.115 1.704 -16.941 1.00 42.23 C ATOM 454 CD LYS A 391 16.695 1.085 -15.597 1.00 50.66 C ATOM 455 CE LYS A 391 17.412 -0.224 -15.254 1.00 61.48 C ATOM 456 NZ LYS A 391 17.749 -0.378 -13.802 1.00 66.23 N ATOM 457 HZ1 LYS A 391 18.375 0.399 -13.508 1.00 0.00 H ATOM 458 HZ2 LYS A 391 16.874 -0.352 -13.240 1.00 0.00 H ATOM 459 HZ3 LYS A 391 18.231 -1.288 -13.654 1.00 0.00 H ATOM 460 H LYS A 391 18.551 4.410 -16.218 1.00 0.00 H ATOM 461 N HIS A 392 21.555 3.532 -16.507 1.00 22.07 N ATOM 462 CA HIS A 392 22.952 3.581 -16.874 1.00 20.73 C ATOM 463 C HIS A 392 23.595 4.837 -16.227 1.00 20.84 C ATOM 464 O HIS A 392 23.708 5.924 -16.829 1.00 21.30 O ATOM 465 CB HIS A 392 23.223 3.679 -18.363 1.00 21.80 C ATOM 466 CG HIS A 392 24.594 3.227 -18.714 1.00 22.87 C ATOM 467 ND1 HIS A 392 24.878 1.884 -18.903 1.00 26.21 N ATOM 468 CD2 HIS A 392 25.769 3.885 -18.784 1.00 24.79 C ATOM 469 CE1 HIS A 392 26.176 1.752 -19.148 1.00 24.31 C ATOM 470 NE2 HIS A 392 26.747 2.953 -19.083 1.00 23.47 N ATOM 471 H HIS A 392 21.002 4.413 -16.511 1.00 0.00 H ATOM 472 N PRO A 393 24.010 4.697 -14.939 1.00 20.84 N ATOM 473 CA PRO A 393 24.673 5.796 -14.177 1.00 21.23 C ATOM 474 C PRO A 393 25.898 6.280 -14.925 1.00 23.00 C ATOM 475 O PRO A 393 26.596 5.496 -15.601 1.00 22.78 O ATOM 476 CB PRO A 393 24.989 5.148 -12.845 1.00 22.85 C ATOM 477 CG PRO A 393 23.954 4.099 -12.668 1.00 23.50 C ATOM 478 CD PRO A 393 23.764 3.509 -14.114 1.00 23.25 C ATOM 479 N MET A 394 26.182 7.593 -14.866 1.00 19.01 N ATOM 480 CA MET A 394 27.399 8.108 -15.395 1.00 19.62 C ATOM 481 C MET A 394 27.838 9.317 -14.616 1.00 19.34 C ATOM 482 O MET A 394 26.972 10.025 -14.057 1.00 20.99 O ATOM 483 CB MET A 394 27.215 8.525 -16.874 1.00 21.20 C ATOM 484 CG MET A 394 28.340 8.902 -17.696 1.00 22.20 C ATOM 485 SD MET A 394 29.739 7.788 -17.675 1.00 23.17 S ATOM 486 CE MET A 394 28.970 6.303 -18.322 1.00 25.89 C ATOM 487 H MET A 394 25.500 8.244 -14.426 1.00 0.00 H ATOM 488 N ASP A 395 29.147 9.515 -14.563 1.00 18.33 N ATOM 489 CA ASP A 395 29.758 10.623 -13.816 1.00 20.29 C ATOM 490 C ASP A 395 31.113 10.865 -14.372 1.00 21.22 C ATOM 491 O ASP A 395 31.645 10.097 -15.178 1.00 19.95 O ATOM 492 CB ASP A 395 29.818 10.254 -12.318 1.00 19.88 C ATOM 493 CG ASP A 395 30.830 9.235 -12.070 1.00 25.42 C ATOM 494 OD1 ASP A 395 30.699 8.020 -12.453 1.00 26.78 O ATOM 495 OD2 ASP A 395 31.922 9.591 -11.578 1.00 30.56 O ATOM 496 H ASP A 395 29.770 8.857 -15.073 1.00 0.00 H ATOM 497 N LEU A 396 31.739 11.994 -14.012 1.00 17.97 N ATOM 498 CA LEU A 396 33.046 12.394 -14.555 1.00 18.09 C ATOM 499 C LEU A 396 34.169 11.407 -14.189 1.00 21.73 C ATOM 500 O LEU A 396 35.068 11.227 -14.958 1.00 21.89 O ATOM 501 CB LEU A 396 33.401 13.829 -14.167 1.00 19.10 C ATOM 502 CG LEU A 396 32.486 14.863 -14.784 1.00 20.27 C ATOM 503 CD1 LEU A 396 32.874 16.253 -14.229 1.00 23.37 C ATOM 504 CD2 LEU A 396 32.536 14.825 -16.300 1.00 23.09 C ATOM 505 H LEU A 396 31.279 12.616 -13.317 1.00 0.00 H ATOM 506 N SER A 397 34.064 10.737 -13.038 1.00 21.32 N ATOM 507 CA SER A 397 35.131 9.749 -12.713 1.00 24.17 C ATOM 508 C SER A 397 35.081 8.526 -13.672 1.00 22.25 C ATOM 509 O SER A 397 36.144 7.994 -13.990 1.00 24.17 O ATOM 510 CB SER A 397 35.040 9.287 -11.210 1.00 24.21 C ATOM 511 OG SER A 397 33.959 8.392 -11.025 1.00 29.37 O ATOM 512 HG SER A 397 33.113 8.842 -11.273 1.00 0.00 H ATOM 513 H SER A 397 33.266 10.899 -12.392 1.00 0.00 H ATOM 514 N THR A 398 33.914 8.121 -14.101 1.00 22.63 N ATOM 515 CA THR A 398 33.726 7.061 -15.072 1.00 22.42 C ATOM 516 C THR A 398 34.295 7.519 -16.407 1.00 21.76 C ATOM 517 O THR A 398 35.048 6.785 -17.111 1.00 22.19 O ATOM 518 CB THR A 398 32.272 6.605 -15.167 1.00 28.26 C ATOM 519 OG1 THR A 398 31.875 6.104 -13.875 1.00 30.39 O ATOM 520 CG2 THR A 398 32.133 5.536 -16.164 1.00 28.55 C ATOM 521 HG1 THR A 398 31.964 6.824 -13.202 1.00 0.00 H ATOM 522 H THR A 398 33.067 8.589 -13.721 1.00 0.00 H ATOM 523 N VAL A 399 33.962 8.740 -16.835 1.00 20.51 N ATOM 524 CA VAL A 399 34.494 9.263 -18.063 1.00 20.15 C ATOM 525 C VAL A 399 36.014 9.284 -18.040 1.00 23.63 C ATOM 526 O VAL A 399 36.717 8.987 -19.011 1.00 22.63 O ATOM 527 CB VAL A 399 33.930 10.671 -18.376 1.00 20.34 C ATOM 528 CG1 VAL A 399 34.570 11.280 -19.621 1.00 22.51 C ATOM 529 CG2 VAL A 399 32.460 10.650 -18.529 1.00 20.03 C ATOM 530 H VAL A 399 33.308 9.320 -16.271 1.00 0.00 H ATOM 531 N LYS A 400 36.590 9.791 -16.938 1.00 20.41 N ATOM 532 CA LYS A 400 38.064 9.813 -16.757 1.00 24.04 C ATOM 533 C LYS A 400 38.701 8.388 -16.771 1.00 22.16 C ATOM 534 O LYS A 400 39.712 8.208 -17.459 1.00 24.80 O ATOM 535 CB LYS A 400 38.382 10.519 -15.408 1.00 24.44 C ATOM 536 CG LYS A 400 39.893 10.607 -15.103 1.00 30.28 C ATOM 537 CD LYS A 400 40.036 11.433 -13.793 1.00 39.76 C ATOM 538 CE LYS A 400 41.201 11.027 -12.907 1.00 48.15 C ATOM 539 NZ LYS A 400 42.398 11.694 -13.445 1.00 52.13 N ATOM 540 HZ1 LYS A 400 42.554 11.385 -14.426 1.00 0.00 H ATOM 541 HZ2 LYS A 400 42.259 12.724 -13.423 1.00 0.00 H ATOM 542 HZ3 LYS A 400 43.224 11.442 -12.865 1.00 0.00 H ATOM 543 H LYS A 400 35.985 10.181 -16.187 1.00 0.00 H ATOM 544 N ARG A 401 38.039 7.420 -16.177 1.00 24.16 N ATOM 545 CA ARG A 401 38.486 6.016 -16.211 1.00 25.06 C ATOM 546 C ARG A 401 38.540 5.524 -17.644 1.00 25.99 C ATOM 547 O ARG A 401 39.559 4.952 -18.121 1.00 27.78 O ATOM 548 CB ARG A 401 37.586 5.184 -15.356 1.00 29.32 C ATOM 549 CG ARG A 401 37.860 3.686 -15.182 1.00 39.95 C ATOM 550 CD ARG A 401 36.984 2.771 -16.025 1.00 41.03 C ATOM 551 NE ARG A 401 35.532 2.707 -15.737 1.00 38.54 N ATOM 552 CZ ARG A 401 34.645 2.079 -16.526 1.00 34.14 C ATOM 553 NH1 ARG A 401 33.355 2.097 -16.242 1.00 36.56 N ATOM 554 NH2 ARG A 401 35.022 1.526 -17.650 1.00 33.99 N ATOM 555 HE ARG A 401 35.180 3.174 -14.877 1.00 0.00 H ATOM 556 HH12 ARG A 401 32.679 1.606 -16.862 1.00 0.00 H ATOM 557 HH11 ARG A 401 33.015 2.602 -15.399 1.00 0.00 H ATOM 558 HH22 ARG A 401 34.325 1.043 -18.251 1.00 0.00 H ATOM 559 HH21 ARG A 401 36.019 1.570 -17.942 1.00 0.00 H ATOM 560 H ARG A 401 37.166 7.654 -15.663 1.00 0.00 H ATOM 561 N LYS A 402 37.475 5.815 -18.385 1.00 23.12 N ATOM 562 CA LYS A 402 37.438 5.400 -19.797 1.00 23.41 C ATOM 563 C LYS A 402 38.478 6.080 -20.617 1.00 22.37 C ATOM 564 O LYS A 402 39.099 5.455 -21.556 1.00 24.67 O ATOM 565 CB LYS A 402 36.097 5.694 -20.440 1.00 20.98 C ATOM 566 CG LYS A 402 35.071 4.685 -20.078 1.00 20.40 C ATOM 567 CD LYS A 402 33.675 4.954 -20.609 1.00 22.59 C ATOM 568 CE LYS A 402 33.624 4.701 -22.092 1.00 21.69 C ATOM 569 NZ LYS A 402 32.222 4.818 -22.625 1.00 24.87 N ATOM 570 HZ1 LYS A 402 31.613 4.121 -22.151 1.00 0.00 H ATOM 571 HZ2 LYS A 402 31.862 5.776 -22.442 1.00 0.00 H ATOM 572 HZ3 LYS A 402 32.226 4.637 -23.649 1.00 0.00 H ATOM 573 H LYS A 402 36.674 6.332 -17.970 1.00 0.00 H ATOM 574 N MET A 403 38.731 7.359 -20.429 1.00 22.09 N ATOM 575 CA MET A 403 39.672 8.074 -21.208 1.00 24.44 C ATOM 576 C MET A 403 41.063 7.520 -20.887 1.00 26.80 C ATOM 577 O MET A 403 41.840 7.289 -21.793 1.00 26.65 O ATOM 578 CB MET A 403 39.590 9.559 -20.902 1.00 26.98 C ATOM 579 CG MET A 403 40.513 10.490 -21.660 1.00 31.70 C ATOM 580 SD MET A 403 40.154 10.554 -23.442 1.00 36.29 S ATOM 581 CE MET A 403 38.504 11.177 -23.389 1.00 32.91 C ATOM 582 H MET A 403 38.219 7.864 -19.678 1.00 0.00 H ATOM 583 N GLU A 404 41.335 7.338 -19.620 1.00 24.77 N ATOM 584 CA GLU A 404 42.694 6.762 -19.230 1.00 28.83 C ATOM 585 C GLU A 404 42.942 5.378 -19.788 1.00 30.02 C ATOM 586 O GLU A 404 44.078 5.054 -20.087 1.00 32.81 O ATOM 587 CB GLU A 404 42.833 6.747 -17.671 1.00 28.46 C ATOM 588 CG GLU A 404 42.976 8.122 -17.059 1.00 34.38 C ATOM 589 CD GLU A 404 42.868 8.138 -15.497 1.00 44.72 C ATOM 590 OE1 GLU A 404 42.575 7.071 -14.865 1.00 46.26 O ATOM 591 OE2 GLU A 404 43.049 9.251 -14.914 1.00 50.97 O ATOM 592 H GLU A 404 40.636 7.582 -18.890 1.00 0.00 H ATOM 593 N ASN A 405 41.924 4.542 -19.849 1.00 25.08 N ATOM 594 CA ASN A 405 41.941 3.173 -20.397 1.00 24.94 C ATOM 595 C ASN A 405 41.826 3.164 -21.943 1.00 26.59 C ATOM 596 O ASN A 405 41.784 2.059 -22.519 1.00 28.78 O ATOM 597 CB ASN A 405 40.865 2.339 -19.780 1.00 30.54 C ATOM 598 CG ASN A 405 41.168 2.026 -18.356 1.00 41.37 C ATOM 599 OD1 ASN A 405 42.328 2.166 -17.949 1.00 43.42 O ATOM 600 ND2 ASN A 405 40.169 1.547 -17.609 1.00 41.49 N ATOM 601 HD22 ASN A 405 39.215 1.455 -18.013 1.00 0.00 H ATOM 602 HD21 ASN A 405 40.345 1.266 -16.623 1.00 0.00 H ATOM 603 H ASN A 405 41.017 4.883 -19.472 1.00 0.00 H ATOM 604 N ARG A 406 41.780 4.338 -22.588 1.00 26.47 N ATOM 605 CA ARG A 406 41.549 4.443 -24.086 1.00 27.66 C ATOM 606 C ARG A 406 40.356 3.666 -24.548 1.00 30.79 C ATOM 607 O ARG A 406 40.399 2.875 -25.516 1.00 32.73 O ATOM 608 CB ARG A 406 42.842 4.032 -24.829 1.00 31.01 C ATOM 609 CG ARG A 406 44.023 4.815 -24.355 1.00 34.63 C ATOM 610 CD ARG A 406 43.933 6.249 -24.716 1.00 40.37 C ATOM 611 NE ARG A 406 45.154 7.013 -24.386 1.00 41.43 N ATOM 612 CZ ARG A 406 45.306 7.870 -23.379 1.00 46.33 C ATOM 613 NH1 ARG A 406 46.455 8.506 -23.282 1.00 43.66 N ATOM 614 NH2 ARG A 406 44.361 8.085 -22.443 1.00 45.22 N ATOM 615 HE ARG A 406 45.978 6.866 -25.003 1.00 0.00 H ATOM 616 HH12 ARG A 406 46.611 9.183 -22.508 1.00 0.00 H ATOM 617 HH11 ARG A 406 47.207 8.331 -23.979 1.00 0.00 H ATOM 618 HH22 ARG A 406 44.533 8.767 -21.677 1.00 0.00 H ATOM 619 HH21 ARG A 406 43.459 7.569 -22.486 1.00 0.00 H ATOM 620 H ARG A 406 41.908 5.213 -22.041 1.00 0.00 H ATOM 621 N ASP A 407 39.222 3.796 -23.835 1.00 24.10 N ATOM 622 CA ASP A 407 38.031 3.109 -24.164 1.00 23.93 C ATOM 623 C ASP A 407 37.134 3.893 -25.104 1.00 22.70 C ATOM 624 O ASP A 407 36.132 3.320 -25.473 1.00 31.26 O ATOM 625 CB ASP A 407 37.268 2.695 -22.897 1.00 25.47 C ATOM 626 CG ASP A 407 37.712 1.329 -22.329 1.00 34.37 C ATOM 627 OD1 ASP A 407 38.565 0.621 -22.910 1.00 38.99 O ATOM 628 OD2 ASP A 407 37.093 0.868 -21.332 1.00 36.60 O ATOM 629 H ASP A 407 39.222 4.427 -23.009 1.00 0.00 H ATOM 630 N TYR A 408 37.394 5.146 -25.365 1.00 24.75 N ATOM 631 CA TYR A 408 36.462 5.923 -26.291 1.00 23.85 C ATOM 632 C TYR A 408 36.920 5.692 -27.766 1.00 24.65 C ATOM 633 O TYR A 408 38.111 5.898 -28.062 1.00 26.55 O ATOM 634 CB TYR A 408 36.552 7.436 -25.932 1.00 26.83 C ATOM 635 CG TYR A 408 35.752 7.710 -24.696 1.00 23.85 C ATOM 636 CD1 TYR A 408 34.411 7.463 -24.679 1.00 26.91 C ATOM 637 CD2 TYR A 408 36.357 8.173 -23.528 1.00 23.52 C ATOM 638 CE1 TYR A 408 33.627 7.661 -23.561 1.00 25.75 C ATOM 639 CE2 TYR A 408 35.581 8.381 -22.388 1.00 23.53 C ATOM 640 CZ TYR A 408 34.230 8.172 -22.412 1.00 26.10 C ATOM 641 OH TYR A 408 33.445 8.319 -21.299 1.00 23.56 O ATOM 642 HH TYR A 408 32.503 8.122 -21.532 1.00 0.00 H ATOM 643 H TYR A 408 38.226 5.609 -24.947 1.00 0.00 H ATOM 644 N ARG A 409 35.972 5.238 -28.579 1.00 24.03 N ATOM 645 CA ARG A 409 36.186 5.093 -30.068 1.00 24.19 C ATOM 646 C ARG A 409 36.430 6.396 -30.691 1.00 26.14 C ATOM 647 O ARG A 409 37.180 6.507 -31.677 1.00 28.10 O ATOM 648 CB ARG A 409 34.952 4.453 -30.752 1.00 29.11 C ATOM 649 CG ARG A 409 34.524 3.032 -30.415 1.00 33.96 C ATOM 650 CD ARG A 409 33.375 2.510 -31.286 1.00 35.80 C ATOM 651 NE ARG A 409 32.191 3.327 -31.133 1.00 37.12 N ATOM 652 CZ ARG A 409 31.241 3.178 -30.232 1.00 37.46 C ATOM 653 NH1 ARG A 409 31.197 2.141 -29.398 1.00 36.68 N ATOM 654 NH2 ARG A 409 30.248 4.077 -30.216 1.00 37.91 N ATOM 655 HE ARG A 409 32.078 4.114 -31.804 1.00 0.00 H ATOM 656 HH12 ARG A 409 30.427 2.065 -28.703 1.00 0.00 H ATOM 657 HH11 ARG A 409 31.932 1.407 -29.442 1.00 0.00 H ATOM 658 HH22 ARG A 409 29.481 3.992 -29.519 1.00 0.00 H ATOM 659 HH21 ARG A 409 30.244 4.860 -30.900 1.00 0.00 H ATOM 660 H ARG A 409 35.050 4.973 -28.176 1.00 0.00 H ATOM 661 N ASP A 410 35.768 7.471 -30.259 1.00 24.05 N ATOM 662 CA ASP A 410 35.792 8.753 -30.915 1.00 23.47 C ATOM 663 C ASP A 410 35.183 9.848 -30.051 1.00 23.38 C ATOM 664 O ASP A 410 34.706 9.519 -28.913 1.00 21.54 O ATOM 665 CB ASP A 410 35.118 8.709 -32.280 1.00 25.68 C ATOM 666 CG ASP A 410 33.675 8.233 -32.225 1.00 30.20 C ATOM 667 OD1 ASP A 410 32.939 8.330 -31.174 1.00 28.17 O ATOM 668 OD2 ASP A 410 33.215 7.648 -33.264 1.00 32.50 O ATOM 669 H ASP A 410 35.199 7.377 -29.394 1.00 0.00 H ATOM 670 N ALA A 411 35.312 11.075 -30.456 1.00 22.75 N ATOM 671 CA ALA A 411 34.839 12.152 -29.611 1.00 23.00 C ATOM 672 C ALA A 411 33.335 12.077 -29.415 1.00 24.32 C ATOM 673 O ALA A 411 32.802 12.533 -28.390 1.00 22.36 O ATOM 674 CB ALA A 411 35.137 13.420 -30.271 1.00 23.72 C ATOM 675 H ALA A 411 35.750 11.282 -31.376 1.00 0.00 H ATOM 676 N GLN A 412 32.624 11.523 -30.394 1.00 22.16 N ATOM 677 CA GLN A 412 31.155 11.362 -30.256 1.00 21.79 C ATOM 678 C GLN A 412 30.753 10.441 -29.112 1.00 21.05 C ATOM 679 O GLN A 412 29.769 10.709 -28.420 1.00 21.20 O ATOM 680 CB GLN A 412 30.493 10.909 -31.549 1.00 24.25 C ATOM 681 CG GLN A 412 30.591 11.960 -32.610 1.00 27.18 C ATOM 682 CD GLN A 412 31.976 12.085 -33.331 1.00 40.55 C ATOM 683 OE1 GLN A 412 32.951 11.272 -33.172 1.00 35.70 O ATOM 684 NE2 GLN A 412 32.088 13.163 -34.102 1.00 58.68 N ATOM 685 HE22 GLN A 412 31.280 13.808 -34.214 1.00 0.00 H ATOM 686 HE21 GLN A 412 32.984 13.361 -34.592 1.00 0.00 H ATOM 687 H GLN A 412 33.100 11.201 -31.261 1.00 0.00 H ATOM 688 N GLU A 413 31.508 9.376 -28.864 1.00 19.36 N ATOM 689 CA GLU A 413 31.229 8.515 -27.761 1.00 19.37 C ATOM 690 C GLU A 413 31.492 9.217 -26.426 1.00 20.89 C ATOM 691 O GLU A 413 30.719 9.053 -25.489 1.00 20.90 O ATOM 692 CB GLU A 413 32.091 7.217 -27.830 1.00 22.33 C ATOM 693 CG GLU A 413 31.561 6.181 -26.874 1.00 28.33 C ATOM 694 CD GLU A 413 32.393 4.899 -26.728 1.00 40.36 C ATOM 695 OE1 GLU A 413 31.941 4.043 -25.907 1.00 43.10 O ATOM 696 OE2 GLU A 413 33.387 4.713 -27.446 1.00 31.31 O ATOM 697 H GLU A 413 32.316 9.167 -29.484 1.00 0.00 H ATOM 698 N PHE A 414 32.549 10.040 -26.358 1.00 20.43 N ATOM 699 CA PHE A 414 32.845 10.859 -25.180 1.00 19.86 C ATOM 700 C PHE A 414 31.684 11.810 -24.918 1.00 21.54 C ATOM 701 O PHE A 414 31.189 11.834 -23.757 1.00 22.09 O ATOM 702 CB PHE A 414 34.136 11.598 -25.429 1.00 22.09 C ATOM 703 CG PHE A 414 34.466 12.647 -24.442 1.00 22.07 C ATOM 704 CD1 PHE A 414 35.125 12.344 -23.187 1.00 23.16 C ATOM 705 CD2 PHE A 414 34.115 13.974 -24.685 1.00 22.10 C ATOM 706 CE1 PHE A 414 35.411 13.362 -22.336 1.00 22.31 C ATOM 707 CE2 PHE A 414 34.448 15.011 -23.791 1.00 23.96 C ATOM 708 CZ PHE A 414 35.102 14.684 -22.616 1.00 21.80 C ATOM 709 H PHE A 414 33.186 10.099 -27.178 1.00 0.00 H ATOM 710 N ALA A 415 31.232 12.528 -25.944 1.00 20.39 N ATOM 711 CA ALA A 415 30.106 13.432 -25.785 1.00 18.73 C ATOM 712 C ALA A 415 28.862 12.680 -25.335 1.00 20.36 C ATOM 713 O ALA A 415 28.078 13.197 -24.515 1.00 19.88 O ATOM 714 CB ALA A 415 29.825 14.257 -27.073 1.00 20.26 C ATOM 715 H ALA A 415 31.692 12.440 -26.873 1.00 0.00 H ATOM 716 N ALA A 416 28.589 11.494 -25.889 1.00 18.87 N ATOM 717 CA ALA A 416 27.439 10.689 -25.447 1.00 19.46 C ATOM 718 C ALA A 416 27.454 10.354 -23.948 1.00 18.28 C ATOM 719 O ALA A 416 26.430 10.473 -23.307 1.00 20.05 O ATOM 720 CB ALA A 416 27.260 9.457 -26.289 1.00 20.81 C ATOM 721 H ALA A 416 29.202 11.133 -26.648 1.00 0.00 H ATOM 722 N ASP A 417 28.637 10.008 -23.424 1.00 17.76 N ATOM 723 CA ASP A 417 28.735 9.743 -21.960 1.00 17.31 C ATOM 724 C ASP A 417 28.555 11.008 -21.150 1.00 18.29 C ATOM 725 O ASP A 417 27.774 10.959 -20.171 1.00 19.31 O ATOM 726 CB ASP A 417 30.062 9.103 -21.593 1.00 18.86 C ATOM 727 CG ASP A 417 30.048 7.654 -21.835 1.00 26.43 C ATOM 728 OD1 ASP A 417 28.994 6.995 -22.079 1.00 24.05 O ATOM 729 OD2 ASP A 417 31.131 7.007 -21.591 1.00 27.85 O ATOM 730 H ASP A 417 29.477 9.925 -24.031 1.00 0.00 H ATOM 731 N VAL A 418 29.168 12.130 -21.580 1.00 18.40 N ATOM 732 CA VAL A 418 29.000 13.365 -20.785 1.00 19.18 C ATOM 733 C VAL A 418 27.507 13.785 -20.812 1.00 19.10 C ATOM 734 O VAL A 418 26.894 14.146 -19.777 1.00 19.95 O ATOM 735 CB VAL A 418 29.919 14.457 -21.258 1.00 19.20 C ATOM 736 CG1 VAL A 418 29.658 15.740 -20.494 1.00 21.93 C ATOM 737 CG2 VAL A 418 31.360 14.027 -21.060 1.00 20.79 C ATOM 738 H VAL A 418 29.743 12.126 -22.447 1.00 0.00 H ATOM 739 N ARG A 419 26.875 13.715 -21.984 1.00 18.99 N ATOM 740 CA ARG A 419 25.458 14.055 -22.097 1.00 18.06 C ATOM 741 C ARG A 419 24.548 13.118 -21.354 1.00 21.54 C ATOM 742 O ARG A 419 23.533 13.559 -20.767 1.00 21.13 O ATOM 743 CB ARG A 419 25.041 14.174 -23.572 1.00 19.74 C ATOM 744 CG ARG A 419 25.654 15.421 -24.185 1.00 20.37 C ATOM 745 CD ARG A 419 25.433 15.443 -25.640 1.00 23.06 C ATOM 746 NE ARG A 419 25.938 16.649 -26.284 1.00 21.75 N ATOM 747 CZ ARG A 419 26.292 16.708 -27.553 1.00 21.14 C ATOM 748 NH1 ARG A 419 26.290 15.622 -28.289 1.00 22.47 N ATOM 749 NH2 ARG A 419 26.680 17.894 -28.039 1.00 22.85 N ATOM 750 HE ARG A 419 26.024 17.512 -25.710 1.00 0.00 H ATOM 751 HH12 ARG A 419 26.570 15.671 -29.289 1.00 0.00 H ATOM 752 HH11 ARG A 419 26.009 14.712 -27.872 1.00 0.00 H ATOM 753 HH22 ARG A 419 26.966 17.979 -29.035 1.00 0.00 H ATOM 754 HH21 ARG A 419 26.695 18.730 -27.420 1.00 0.00 H ATOM 755 H ARG A 419 27.398 13.414 -22.831 1.00 0.00 H ATOM 756 N LEU A 420 24.894 11.855 -21.232 1.00 19.42 N ATOM 757 CA LEU A 420 24.142 10.885 -20.437 1.00 20.13 C ATOM 758 C LEU A 420 24.168 11.304 -18.963 1.00 19.28 C ATOM 759 O LEU A 420 23.155 11.195 -18.287 1.00 19.23 O ATOM 760 CB LEU A 420 24.734 9.509 -20.601 1.00 21.06 C ATOM 761 CG LEU A 420 24.086 8.360 -19.840 1.00 23.95 C ATOM 762 CD1 LEU A 420 22.626 8.270 -20.061 1.00 25.42 C ATOM 763 CD2 LEU A 420 24.909 7.107 -20.000 1.00 26.15 C ATOM 764 H LEU A 420 25.748 11.529 -21.727 1.00 0.00 H ATOM 765 N MET A 421 25.362 11.678 -18.470 1.00 19.16 N ATOM 766 CA MET A 421 25.506 12.189 -17.080 1.00 19.78 C ATOM 767 C MET A 421 24.438 13.273 -16.822 1.00 20.82 C ATOM 768 O MET A 421 23.699 13.217 -15.809 1.00 19.90 O ATOM 769 CB MET A 421 26.927 12.670 -16.860 1.00 22.39 C ATOM 770 CG MET A 421 27.098 13.308 -15.557 1.00 21.94 C ATOM 771 SD MET A 421 28.857 13.789 -15.436 1.00 23.26 S ATOM 772 CE MET A 421 28.727 15.314 -16.274 1.00 23.95 C ATOM 773 H MET A 421 26.205 11.608 -19.075 1.00 0.00 H ATOM 774 N PHE A 422 24.393 14.273 -17.695 1.00 19.06 N ATOM 775 CA PHE A 422 23.433 15.335 -17.522 1.00 18.07 C ATOM 776 C PHE A 422 22.012 14.872 -17.676 1.00 20.77 C ATOM 777 O PHE A 422 21.115 15.246 -16.914 1.00 20.38 O ATOM 778 CB PHE A 422 23.744 16.513 -18.462 1.00 18.97 C ATOM 779 CG PHE A 422 25.107 17.146 -18.224 1.00 18.99 C ATOM 780 CD1 PHE A 422 25.430 17.584 -16.947 1.00 21.22 C ATOM 781 CD2 PHE A 422 25.996 17.342 -19.226 1.00 21.06 C ATOM 782 CE1 PHE A 422 26.646 18.190 -16.707 1.00 21.90 C ATOM 783 CE2 PHE A 422 27.216 17.951 -18.996 1.00 21.95 C ATOM 784 CZ PHE A 422 27.506 18.439 -17.734 1.00 22.67 C ATOM 785 H PHE A 422 25.049 14.290 -18.502 1.00 0.00 H ATOM 786 N SER A 423 21.769 14.049 -18.703 1.00 18.30 N ATOM 787 CA SER A 423 20.421 13.559 -18.918 1.00 17.77 C ATOM 788 C SER A 423 19.900 12.725 -17.766 1.00 17.81 C ATOM 789 O SER A 423 18.737 12.841 -17.451 1.00 19.84 O ATOM 790 CB SER A 423 20.376 12.689 -20.201 1.00 21.06 C ATOM 791 OG SER A 423 20.529 13.541 -21.347 1.00 24.35 O ATOM 792 HG SER A 423 19.793 14.203 -21.365 1.00 0.00 H ATOM 793 H SER A 423 22.539 13.764 -19.341 1.00 0.00 H ATOM 794 N ASN A 424 20.733 11.943 -17.171 1.00 18.11 N ATOM 795 CA ASN A 424 20.263 11.208 -15.968 1.00 20.02 C ATOM 796 C ASN A 424 19.810 12.193 -14.860 1.00 19.84 C ATOM 797 O ASN A 424 18.820 11.899 -14.188 1.00 19.54 O ATOM 798 CB ASN A 424 21.385 10.329 -15.362 1.00 18.43 C ATOM 799 CG ASN A 424 21.736 9.117 -16.242 1.00 18.42 C ATOM 800 OD1 ASN A 424 20.953 8.708 -17.056 1.00 21.16 O ATOM 801 ND2 ASN A 424 22.904 8.551 -16.003 1.00 18.97 N ATOM 802 HD22 ASN A 424 23.539 8.953 -15.284 1.00 0.00 H ATOM 803 HD21 ASN A 424 23.189 7.703 -16.533 1.00 0.00 H ATOM 804 H ASN A 424 21.705 11.829 -17.522 1.00 0.00 H ATOM 805 N CYS A 425 20.516 13.254 -14.670 1.00 18.84 N ATOM 806 CA CYS A 425 20.172 14.230 -13.653 1.00 18.79 C ATOM 807 C CYS A 425 18.861 14.876 -14.015 1.00 20.23 C ATOM 808 O CYS A 425 17.965 15.012 -13.191 1.00 20.91 O ATOM 809 CB CYS A 425 21.291 15.212 -13.579 1.00 19.45 C ATOM 810 SG CYS A 425 21.140 16.413 -12.247 1.00 22.68 S ATOM 811 H CYS A 425 21.356 13.415 -15.262 1.00 0.00 H ATOM 812 N TYR A 426 18.637 15.214 -15.277 1.00 19.03 N ATOM 813 CA TYR A 426 17.341 15.830 -15.679 1.00 20.30 C ATOM 814 C TYR A 426 16.225 14.817 -15.596 1.00 21.76 C ATOM 815 O TYR A 426 15.109 15.204 -15.237 1.00 22.21 O ATOM 816 CB TYR A 426 17.448 16.332 -17.135 1.00 19.23 C ATOM 817 CG TYR A 426 18.548 17.388 -17.348 1.00 19.15 C ATOM 818 CD1 TYR A 426 18.954 18.261 -16.399 1.00 19.96 C ATOM 819 CD2 TYR A 426 19.243 17.408 -18.521 1.00 19.98 C ATOM 820 CE1 TYR A 426 19.985 19.124 -16.630 1.00 23.00 C ATOM 821 CE2 TYR A 426 20.336 18.216 -18.736 1.00 20.90 C ATOM 822 CZ TYR A 426 20.692 19.122 -17.783 1.00 21.55 C ATOM 823 OH TYR A 426 21.809 19.952 -18.005 1.00 22.37 O ATOM 824 HH TYR A 426 21.658 20.496 -18.818 1.00 0.00 H ATOM 825 H TYR A 426 19.373 15.048 -15.993 1.00 0.00 H ATOM 826 N LYS A 427 16.503 13.550 -15.903 1.00 18.88 N ATOM 827 CA LYS A 427 15.456 12.529 -15.862 1.00 19.48 C ATOM 828 C LYS A 427 15.014 12.312 -14.415 1.00 22.74 C ATOM 829 O LYS A 427 13.811 12.189 -14.164 1.00 23.38 O ATOM 830 CB LYS A 427 15.937 11.213 -16.391 1.00 22.12 C ATOM 831 CG LYS A 427 14.929 10.070 -16.411 1.00 25.05 C ATOM 832 CD LYS A 427 15.437 8.868 -17.157 1.00 24.99 C ATOM 833 CE LYS A 427 14.284 7.890 -17.254 1.00 34.99 C ATOM 834 NZ LYS A 427 14.655 6.709 -18.014 1.00 42.57 N ATOM 835 HZ1 LYS A 427 14.932 6.990 -18.976 1.00 0.00 H ATOM 836 HZ2 LYS A 427 15.454 6.234 -17.547 1.00 0.00 H ATOM 837 HZ3 LYS A 427 13.844 6.060 -18.062 1.00 0.00 H ATOM 838 H LYS A 427 17.472 13.285 -16.174 1.00 0.00 H ATOM 839 N TYR A 428 15.958 12.141 -13.494 1.00 22.11 N ATOM 840 CA TYR A 428 15.556 11.746 -12.130 1.00 21.03 C ATOM 841 C TYR A 428 14.916 12.864 -11.322 1.00 23.27 C ATOM 842 O TYR A 428 13.999 12.628 -10.490 1.00 24.73 O ATOM 843 CB TYR A 428 16.813 11.227 -11.380 1.00 20.19 C ATOM 844 CG TYR A 428 16.436 10.673 -9.998 1.00 20.35 C ATOM 845 CD1 TYR A 428 15.790 9.486 -9.912 1.00 22.28 C ATOM 846 CD2 TYR A 428 16.624 11.433 -8.855 1.00 24.84 C ATOM 847 CE1 TYR A 428 15.363 9.008 -8.647 1.00 25.29 C ATOM 848 CE2 TYR A 428 16.187 10.973 -7.622 1.00 27.51 C ATOM 849 CZ TYR A 428 15.635 9.759 -7.548 1.00 27.49 C ATOM 850 OH TYR A 428 15.193 9.384 -6.265 1.00 31.65 O ATOM 851 HH TYR A 428 14.801 8.476 -6.305 1.00 0.00 H ATOM 852 H TYR A 428 16.961 12.283 -13.731 1.00 0.00 H ATOM 853 N ASN A 429 15.331 14.091 -11.550 1.00 21.23 N ATOM 854 CA ASN A 429 15.027 15.208 -10.642 1.00 22.76 C ATOM 855 C ASN A 429 13.946 16.071 -11.158 1.00 24.49 C ATOM 856 O ASN A 429 13.761 16.284 -12.361 1.00 25.53 O ATOM 857 CB ASN A 429 16.268 16.026 -10.383 1.00 20.85 C ATOM 858 CG ASN A 429 17.361 15.234 -9.699 1.00 23.64 C ATOM 859 OD1 ASN A 429 17.188 14.784 -8.561 1.00 24.17 O ATOM 860 ND2 ASN A 429 18.433 14.882 -10.423 1.00 22.84 N ATOM 861 HD22 ASN A 429 18.565 15.269 -11.379 1.00 0.00 H ATOM 862 HD21 ASN A 429 19.133 14.222 -10.028 1.00 0.00 H ATOM 863 H ASN A 429 15.895 14.279 -12.404 1.00 0.00 H ATOM 864 N PRO A 430 13.251 16.789 -10.277 1.00 25.94 N ATOM 865 CA PRO A 430 12.328 17.809 -10.788 1.00 26.20 C ATOM 866 C PRO A 430 13.051 19.027 -11.325 1.00 26.79 C ATOM 867 O PRO A 430 14.218 19.236 -10.959 1.00 27.19 O ATOM 868 CB PRO A 430 11.505 18.164 -9.508 1.00 31.05 C ATOM 869 CG PRO A 430 12.192 17.603 -8.363 1.00 35.46 C ATOM 870 CD PRO A 430 13.250 16.618 -8.841 1.00 27.22 C ATOM 871 N PRO A 431 12.438 19.841 -12.163 1.00 27.67 N ATOM 872 CA PRO A 431 13.182 20.880 -12.886 1.00 26.07 C ATOM 873 C PRO A 431 13.681 22.021 -12.073 1.00 29.80 C ATOM 874 O PRO A 431 14.579 22.683 -12.511 1.00 29.77 O ATOM 875 CB PRO A 431 12.173 21.394 -13.898 1.00 35.12 C ATOM 876 CG PRO A 431 10.883 21.003 -13.361 1.00 32.40 C ATOM 877 CD PRO A 431 11.069 19.680 -12.731 1.00 31.72 C ATOM 878 N ASP A 432 13.084 22.240 -10.917 1.00 32.03 N ATOM 879 CA ASP A 432 13.597 23.319 -10.058 1.00 32.56 C ATOM 880 C ASP A 432 14.622 22.813 -9.031 1.00 32.86 C ATOM 881 O ASP A 432 14.955 23.541 -8.109 1.00 31.63 O ATOM 882 CB ASP A 432 12.406 23.917 -9.312 1.00 37.59 C ATOM 883 CG ASP A 432 11.722 22.878 -8.402 1.00 51.75 C ATOM 884 OD1 ASP A 432 11.649 21.687 -8.803 1.00 63.54 O ATOM 885 OD2 ASP A 432 11.266 23.223 -7.290 1.00 66.67 O ATOM 886 H ASP A 432 12.271 21.664 -10.620 1.00 0.00 H ATOM 887 N HIS A 433 15.132 21.596 -9.115 1.00 27.03 N ATOM 888 CA HIS A 433 16.044 21.036 -8.085 1.00 24.23 C ATOM 889 C HIS A 433 17.386 21.731 -8.209 1.00 24.79 C ATOM 890 O HIS A 433 17.870 22.084 -9.324 1.00 25.05 O ATOM 891 CB HIS A 433 16.204 19.548 -8.249 1.00 26.72 C ATOM 892 CG HIS A 433 16.796 18.883 -7.050 1.00 27.98 C ATOM 893 ND1 HIS A 433 18.149 18.831 -6.797 1.00 28.90 N ATOM 894 CD2 HIS A 433 16.206 18.266 -5.999 1.00 30.32 C ATOM 895 CE1 HIS A 433 18.360 18.258 -5.617 1.00 33.04 C ATOM 896 NE2 HIS A 433 17.185 17.884 -5.132 1.00 29.51 N ATOM 897 H HIS A 433 14.885 21.007 -9.936 1.00 0.00 H ATOM 898 N ASP A 434 18.022 22.023 -7.071 1.00 23.21 N ATOM 899 CA ASP A 434 19.304 22.641 -7.110 1.00 22.79 C ATOM 900 C ASP A 434 20.405 21.913 -7.947 1.00 21.02 C ATOM 901 O ASP A 434 21.221 22.539 -8.571 1.00 22.94 O ATOM 902 CB ASP A 434 19.878 22.811 -5.689 1.00 27.12 C ATOM 903 CG ASP A 434 19.118 23.856 -4.866 1.00 36.48 C ATOM 904 OD1 ASP A 434 18.316 24.675 -5.437 1.00 33.99 O ATOM 905 OD2 ASP A 434 19.275 23.752 -3.619 1.00 36.95 O ATOM 906 H ASP A 434 17.581 21.799 -6.156 1.00 0.00 H ATOM 907 N VAL A 435 20.445 20.577 -7.909 1.00 24.06 N ATOM 908 CA VAL A 435 21.408 19.798 -8.707 1.00 23.06 C ATOM 909 C VAL A 435 21.128 19.936 -10.198 1.00 21.84 C ATOM 910 O VAL A 435 22.064 19.865 -11.004 1.00 21.29 O ATOM 911 CB VAL A 435 21.518 18.308 -8.296 1.00 25.08 C ATOM 912 CG1 VAL A 435 22.541 17.593 -9.181 1.00 26.14 C ATOM 913 CG2 VAL A 435 21.948 18.205 -6.830 1.00 26.20 C ATOM 914 H VAL A 435 19.774 20.071 -7.296 1.00 0.00 H ATOM 915 N VAL A 436 19.882 20.142 -10.585 1.00 21.98 N ATOM 916 CA VAL A 436 19.572 20.370 -12.016 1.00 19.64 C ATOM 917 C VAL A 436 20.062 21.732 -12.440 1.00 22.14 C ATOM 918 O VAL A 436 20.659 21.842 -13.530 1.00 21.40 O ATOM 919 CB VAL A 436 18.084 20.335 -12.229 1.00 21.71 C ATOM 920 CG1 VAL A 436 17.697 20.871 -13.552 1.00 21.73 C ATOM 921 CG2 VAL A 436 17.639 18.909 -12.079 1.00 22.55 C ATOM 922 H VAL A 436 19.115 20.144 -9.882 1.00 0.00 H ATOM 923 N ALA A 437 20.013 22.723 -11.570 1.00 20.53 N ATOM 924 CA ALA A 437 20.615 23.971 -11.893 1.00 19.61 C ATOM 925 C ALA A 437 22.133 23.904 -12.095 1.00 17.71 C ATOM 926 O ALA A 437 22.730 24.518 -13.025 1.00 20.74 O ATOM 927 CB ALA A 437 20.283 25.059 -10.847 1.00 24.86 C ATOM 928 H ALA A 437 19.537 22.593 -10.654 1.00 0.00 H ATOM 929 N MET A 438 22.820 23.120 -11.241 1.00 19.33 N ATOM 930 CA MET A 438 24.235 22.849 -11.356 1.00 18.48 C ATOM 931 C MET A 438 24.564 22.111 -12.678 1.00 17.86 C ATOM 932 O MET A 438 25.519 22.469 -13.297 1.00 18.78 O ATOM 933 CB MET A 438 24.780 22.132 -10.133 1.00 20.08 C ATOM 934 CG MET A 438 24.745 23.015 -8.905 1.00 21.96 C ATOM 935 SD MET A 438 25.525 22.121 -7.499 1.00 26.30 S ATOM 936 CE MET A 438 24.137 21.517 -6.746 1.00 33.85 C ATOM 937 H MET A 438 22.301 22.684 -10.452 1.00 0.00 H ATOM 938 N ALA A 439 23.758 21.130 -12.972 1.00 19.21 N ATOM 939 CA ALA A 439 23.985 20.384 -14.225 1.00 17.90 C ATOM 940 C ALA A 439 23.893 21.324 -15.393 1.00 18.38 C ATOM 941 O ALA A 439 24.729 21.217 -16.323 1.00 19.95 O ATOM 942 CB ALA A 439 22.926 19.301 -14.384 1.00 19.04 C ATOM 943 H ALA A 439 22.973 20.879 -12.338 1.00 0.00 H ATOM 944 N ARG A 440 22.869 22.205 -15.413 1.00 20.11 N ATOM 945 CA ARG A 440 22.742 23.135 -16.593 1.00 21.44 C ATOM 946 C ARG A 440 23.940 24.037 -16.717 1.00 22.24 C ATOM 947 O ARG A 440 24.439 24.251 -17.812 1.00 22.32 O ATOM 948 CB ARG A 440 21.489 23.976 -16.455 1.00 21.67 C ATOM 949 CG ARG A 440 20.224 23.133 -16.590 1.00 24.67 C ATOM 950 CD ARG A 440 18.992 23.938 -16.146 1.00 28.79 C ATOM 951 NE ARG A 440 17.810 23.191 -16.449 1.00 30.60 N ATOM 952 CZ ARG A 440 16.616 23.446 -15.950 1.00 36.33 C ATOM 953 NH1 ARG A 440 15.629 22.664 -16.297 1.00 40.46 N ATOM 954 NH2 ARG A 440 16.426 24.428 -15.096 1.00 40.75 N ATOM 955 HE ARG A 440 17.898 22.392 -17.108 1.00 0.00 H ATOM 956 HH12 ARG A 440 14.674 22.835 -15.923 1.00 0.00 H ATOM 957 HH11 ARG A 440 15.798 21.870 -16.947 1.00 0.00 H ATOM 958 HH22 ARG A 440 15.475 24.610 -14.716 1.00 0.00 H ATOM 959 HH21 ARG A 440 17.227 25.023 -14.801 1.00 0.00 H ATOM 960 H ARG A 440 22.183 22.241 -14.632 1.00 0.00 H ATOM 961 N LYS A 441 24.513 24.500 -15.608 1.00 20.16 N ATOM 962 CA LYS A 441 25.684 25.388 -15.614 1.00 21.30 C ATOM 963 C LYS A 441 26.911 24.595 -16.156 1.00 19.69 C ATOM 964 O LYS A 441 27.667 25.074 -16.989 1.00 22.66 O ATOM 965 CB LYS A 441 25.975 25.954 -14.195 1.00 22.66 C ATOM 966 CG LYS A 441 24.995 27.057 -13.754 1.00 31.03 C ATOM 967 CD LYS A 441 25.486 27.577 -12.392 1.00 37.50 C ATOM 968 CE LYS A 441 24.493 28.554 -11.740 1.00 49.05 C ATOM 969 NZ LYS A 441 23.060 28.063 -11.610 1.00 53.39 N ATOM 970 HZ1 LYS A 441 22.680 27.853 -12.555 1.00 0.00 H ATOM 971 HZ2 LYS A 441 23.042 27.201 -11.028 1.00 0.00 H ATOM 972 HZ3 LYS A 441 22.482 28.800 -11.159 1.00 0.00 H ATOM 973 H LYS A 441 24.111 24.219 -14.691 1.00 0.00 H ATOM 974 N LEU A 442 27.109 23.364 -15.701 1.00 19.38 N ATOM 975 CA LEU A 442 28.235 22.588 -16.134 1.00 19.60 C ATOM 976 C LEU A 442 28.086 22.188 -17.633 1.00 18.38 C ATOM 977 O LEU A 442 29.049 22.112 -18.355 1.00 19.75 O ATOM 978 CB LEU A 442 28.461 21.336 -15.268 1.00 18.53 C ATOM 979 CG LEU A 442 29.827 20.642 -15.490 1.00 20.40 C ATOM 980 CD1 LEU A 442 30.959 21.604 -15.107 1.00 22.19 C ATOM 981 CD2 LEU A 442 29.894 19.360 -14.800 1.00 21.21 C ATOM 982 H LEU A 442 26.437 22.956 -15.020 1.00 0.00 H ATOM 983 N GLN A 443 26.858 21.911 -17.993 1.00 19.52 N ATOM 984 CA GLN A 443 26.588 21.514 -19.359 1.00 20.40 C ATOM 985 C GLN A 443 26.822 22.683 -20.299 1.00 18.51 C ATOM 986 O GLN A 443 27.395 22.454 -21.426 1.00 18.89 O ATOM 987 CB GLN A 443 25.195 20.951 -19.533 1.00 21.34 C ATOM 988 CG GLN A 443 24.980 20.488 -21.000 1.00 20.71 C ATOM 989 CD GLN A 443 23.849 19.501 -21.182 1.00 22.43 C ATOM 990 OE1 GLN A 443 22.904 19.510 -20.421 1.00 22.63 O ATOM 991 NE2 GLN A 443 23.906 18.726 -22.240 1.00 23.27 N ATOM 992 HE22 GLN A 443 24.739 18.755 -22.862 1.00 0.00 H ATOM 993 HE21 GLN A 443 23.118 18.083 -22.456 1.00 0.00 H ATOM 994 H GLN A 443 26.082 21.976 -17.303 1.00 0.00 H ATOM 995 N ASP A 444 26.595 23.884 -19.897 1.00 20.18 N ATOM 996 CA ASP A 444 26.938 25.043 -20.717 1.00 22.90 C ATOM 997 C ASP A 444 28.461 25.089 -21.007 1.00 22.31 C ATOM 998 O ASP A 444 28.861 25.385 -22.136 1.00 21.54 O ATOM 999 CB ASP A 444 26.383 26.263 -20.156 1.00 28.34 C ATOM 1000 CG ASP A 444 24.767 26.360 -20.357 1.00 26.79 C ATOM 1001 OD1 ASP A 444 24.120 25.635 -21.264 1.00 29.95 O ATOM 1002 OD2 ASP A 444 24.280 27.191 -19.645 1.00 33.12 O ATOM 1003 H ASP A 444 26.157 24.033 -18.966 1.00 0.00 H ATOM 1004 N VAL A 445 29.302 24.794 -20.022 1.00 19.85 N ATOM 1005 CA VAL A 445 30.730 24.740 -20.181 1.00 20.22 C ATOM 1006 C VAL A 445 31.079 23.646 -21.148 1.00 19.31 C ATOM 1007 O VAL A 445 31.809 23.809 -22.135 1.00 20.94 O ATOM 1008 CB VAL A 445 31.463 24.549 -18.825 1.00 21.76 C ATOM 1009 CG1 VAL A 445 32.941 24.382 -19.087 1.00 23.37 C ATOM 1010 CG2 VAL A 445 31.089 25.702 -17.889 1.00 24.30 C ATOM 1011 H VAL A 445 28.905 24.591 -19.083 1.00 0.00 H ATOM 1012 N PHE A 446 30.582 22.431 -20.872 1.00 18.10 N ATOM 1013 CA PHE A 446 30.814 21.302 -21.764 1.00 17.40 C ATOM 1014 C PHE A 446 30.460 21.553 -23.247 1.00 16.82 C ATOM 1015 O PHE A 446 31.267 21.381 -24.160 1.00 18.35 O ATOM 1016 CB PHE A 446 30.040 20.058 -21.326 1.00 17.42 C ATOM 1017 CG PHE A 446 30.123 18.956 -22.365 1.00 20.50 C ATOM 1018 CD1 PHE A 446 31.334 18.241 -22.645 1.00 20.26 C ATOM 1019 CD2 PHE A 446 28.997 18.710 -23.160 1.00 22.10 C ATOM 1020 CE1 PHE A 446 31.365 17.310 -23.641 1.00 21.19 C ATOM 1021 CE2 PHE A 446 29.041 17.766 -24.199 1.00 20.95 C ATOM 1022 CZ PHE A 446 30.250 17.104 -24.433 1.00 21.78 C ATOM 1023 H PHE A 446 30.022 22.292 -20.007 1.00 0.00 H ATOM 1024 N GLU A 447 29.230 22.025 -23.447 1.00 18.05 N ATOM 1025 CA GLU A 447 28.746 22.183 -24.867 1.00 18.73 C ATOM 1026 C GLU A 447 29.530 23.239 -25.572 1.00 17.70 C ATOM 1027 O GLU A 447 29.830 23.157 -26.800 1.00 19.25 O ATOM 1028 CB GLU A 447 27.236 22.475 -24.931 1.00 20.40 C ATOM 1029 CG GLU A 447 26.340 21.375 -24.400 1.00 21.99 C ATOM 1030 CD GLU A 447 26.286 20.159 -25.191 1.00 22.05 C ATOM 1031 OE1 GLU A 447 26.778 20.115 -26.419 1.00 23.37 O ATOM 1032 OE2 GLU A 447 25.833 19.076 -24.665 1.00 22.96 O ATOM 1033 H GLU A 447 28.619 22.278 -22.644 1.00 0.00 H ATOM 1034 N PHE A 448 29.902 24.287 -24.875 1.00 17.67 N ATOM 1035 CA PHE A 448 30.634 25.349 -25.511 1.00 21.07 C ATOM 1036 C PHE A 448 32.031 24.880 -25.922 1.00 21.42 C ATOM 1037 O PHE A 448 32.481 25.042 -27.083 1.00 21.89 O ATOM 1038 CB PHE A 448 30.767 26.588 -24.570 1.00 22.67 C ATOM 1039 CG PHE A 448 31.096 27.826 -25.360 1.00 26.29 C ATOM 1040 CD1 PHE A 448 30.083 28.574 -26.150 1.00 26.86 C ATOM 1041 CD2 PHE A 448 32.417 28.177 -25.439 1.00 28.92 C ATOM 1042 CE1 PHE A 448 30.490 29.680 -26.962 1.00 31.27 C ATOM 1043 CE2 PHE A 448 32.816 29.279 -26.226 1.00 29.89 C ATOM 1044 CZ PHE A 448 31.862 30.009 -26.949 1.00 31.28 C ATOM 1045 H PHE A 448 29.668 24.349 -23.864 1.00 0.00 H ATOM 1046 N ARG A 449 32.744 24.204 -25.038 1.00 20.87 N ATOM 1047 CA ARG A 449 34.065 23.654 -25.387 1.00 20.71 C ATOM 1048 C ARG A 449 34.019 22.568 -26.420 1.00 21.07 C ATOM 1049 O ARG A 449 34.900 22.492 -27.346 1.00 22.76 O ATOM 1050 CB ARG A 449 34.757 23.198 -24.107 1.00 23.77 C ATOM 1051 CG ARG A 449 35.028 24.301 -23.103 1.00 27.54 C ATOM 1052 CD ARG A 449 36.159 25.232 -23.493 1.00 32.54 C ATOM 1053 NE ARG A 449 37.219 24.547 -24.281 1.00 44.47 N ATOM 1054 CZ ARG A 449 38.094 23.563 -23.909 1.00 56.25 C ATOM 1055 NH1 ARG A 449 38.917 23.114 -24.846 1.00 58.26 N ATOM 1056 NH2 ARG A 449 38.201 23.007 -22.672 1.00 47.74 N ATOM 1057 HE ARG A 449 37.309 24.865 -25.267 1.00 0.00 H ATOM 1058 HH12 ARG A 449 39.604 22.366 -24.620 1.00 0.00 H ATOM 1059 HH11 ARG A 449 38.876 23.509 -25.807 1.00 0.00 H ATOM 1060 HH22 ARG A 449 38.904 22.261 -22.496 1.00 0.00 H ATOM 1061 HH21 ARG A 449 37.580 23.328 -21.902 1.00 0.00 H ATOM 1062 H ARG A 449 32.366 24.058 -24.080 1.00 0.00 H ATOM 1063 N TYR A 450 33.009 21.686 -26.327 1.00 18.45 N ATOM 1064 CA TYR A 450 32.809 20.607 -27.312 1.00 19.36 C ATOM 1065 C TYR A 450 32.620 21.173 -28.701 1.00 20.51 C ATOM 1066 O TYR A 450 33.103 20.632 -29.689 1.00 21.31 O ATOM 1067 CB TYR A 450 31.698 19.664 -26.884 1.00 20.01 C ATOM 1068 CG TYR A 450 31.576 18.457 -27.771 1.00 22.31 C ATOM 1069 CD1 TYR A 450 32.523 17.443 -27.731 1.00 23.28 C ATOM 1070 CD2 TYR A 450 30.516 18.353 -28.634 1.00 25.56 C ATOM 1071 CE1 TYR A 450 32.446 16.352 -28.590 1.00 24.01 C ATOM 1072 CE2 TYR A 450 30.385 17.204 -29.412 1.00 26.27 C ATOM 1073 CZ TYR A 450 31.404 16.264 -29.401 1.00 24.31 C ATOM 1074 OH TYR A 450 31.312 15.120 -30.202 1.00 26.61 O ATOM 1075 HH TYR A 450 32.119 14.562 -30.072 1.00 0.00 H ATOM 1076 H TYR A 450 32.344 21.768 -25.531 1.00 0.00 H ATOM 1077 N ALA A 451 31.921 22.286 -28.796 1.00 19.82 N ATOM 1078 CA ALA A 451 31.684 22.904 -30.085 1.00 20.63 C ATOM 1079 C ALA A 451 32.870 23.493 -30.758 1.00 24.56 C ATOM 1080 O ALA A 451 32.898 23.659 -32.016 1.00 24.11 O ATOM 1081 CB ALA A 451 30.616 23.969 -29.912 1.00 19.10 C ATOM 1082 H ALA A 451 31.535 22.726 -27.936 1.00 0.00 H ATOM 1083 N LYS A 452 33.912 23.748 -29.965 1.00 23.99 N ATOM 1084 CA LYS A 452 35.182 24.314 -30.505 1.00 29.24 C ATOM 1085 C LYS A 452 36.133 23.177 -30.877 1.00 28.72 C ATOM 1086 O LYS A 452 37.295 23.438 -31.216 1.00 35.58 O ATOM 1087 CB LYS A 452 35.773 25.247 -29.447 1.00 28.22 C ATOM 1088 CG LYS A 452 34.926 26.436 -28.997 1.00 29.66 C ATOM 1089 CD LYS A 452 34.527 27.467 -30.102 1.00 29.25 C ATOM 1090 CE LYS A 452 33.963 28.722 -29.477 1.00 33.86 C ATOM 1091 NZ LYS A 452 33.283 29.751 -30.313 1.00 32.28 N ATOM 1092 HZ1 LYS A 452 33.948 30.111 -31.027 1.00 0.00 H ATOM 1093 HZ2 LYS A 452 32.462 29.324 -30.787 1.00 0.00 H ATOM 1094 HZ3 LYS A 452 32.966 30.534 -29.707 1.00 0.00 H ATOM 1095 H LYS A 452 33.837 23.548 -28.947 1.00 0.00 H ATOM 1096 N MET A 453 35.672 21.938 -30.990 1.00 28.39 N ATOM 1097 CA MET A 453 36.545 20.858 -31.318 1.00 32.48 C ATOM 1098 C MET A 453 37.158 21.021 -32.725 1.00 35.09 C ATOM 1099 O MET A 453 36.451 21.269 -33.669 1.00 29.50 O ATOM 1100 CB MET A 453 35.813 19.575 -31.329 1.00 39.18 C ATOM 1101 CG MET A 453 36.880 18.492 -31.450 1.00 40.25 C ATOM 1102 SD MET A 453 36.371 17.034 -30.758 1.00 38.95 S ATOM 1103 CE MET A 453 34.903 16.774 -31.751 1.00 47.79 C ATOM 1104 H MET A 453 34.660 21.751 -30.837 1.00 0.00 H ATOM 1105 N PRO A 454 38.465 20.775 -32.851 1.00 39.50 N ATOM 1106 CA PRO A 454 39.031 20.793 -34.237 1.00 40.97 C ATOM 1107 C PRO A 454 38.470 19.775 -35.206 1.00 42.99 C ATOM 1108 O PRO A 454 38.022 18.675 -34.834 1.00 41.28 O ATOM 1109 CB PRO A 454 40.502 20.525 -34.018 1.00 42.81 C ATOM 1110 CG PRO A 454 40.662 19.993 -32.643 1.00 47.42 C ATOM 1111 CD PRO A 454 39.507 20.565 -31.829 1.00 47.45 C ATOM 1112 N ASP A 455 38.475 20.159 -36.475 1.00 55.98 N ATOM 1113 CA ASP A 455 38.198 19.216 -37.568 1.00 67.22 C ATOM 1114 C ASP A 455 39.379 18.254 -37.667 1.00 67.49 C ATOM 1115 O ASP A 455 39.177 17.033 -37.707 1.00 70.75 O ATOM 1116 CB ASP A 455 37.977 19.929 -38.917 1.00 74.47 C ATOM 1117 CG ASP A 455 36.838 20.929 -38.869 1.00 75.34 C ATOM 1118 OD1 ASP A 455 36.958 21.926 -38.129 1.00 81.21 O ATOM 1119 OD2 ASP A 455 35.831 20.730 -39.570 1.00 81.16 O ATOM 1120 H ASP A 455 38.680 21.153 -36.703 1.00 0.00 H TER 1121 ASP A 455 HETATM 1122 O HOH 1 30.428 4.581 -23.723 1.00 42.80 O HETATM 1123 O HOH 2 33.975 2.886 -26.238 1.00 30.51 O HETATM 1124 O HOH 3 40.150 21.104 -24.985 1.00 36.68 O HETATM 1125 O HOH 4 25.398 28.535 -18.044 1.00 46.41 O HETATM 1126 O HOH 5 37.539 26.217 -26.016 1.00 49.35 O HETATM 1127 O HOH 6 40.801 0.347 -23.980 1.00 30.69 O HETATM 1128 O HOH 7 26.262 3.383 -2.026 1.00 55.58 O HETATM 1129 O HOH 8 23.646 -0.032 -15.980 1.00 61.23 O HETATM 1130 O HOH 9 21.950 27.373 -18.734 1.00 31.42 O HETATM 1131 O HOH 10 29.937 7.804 -5.174 1.00 36.79 O HETATM 1132 O HOH 11 41.485 19.598 -13.981 1.00 38.10 O HETATM 1133 O HOH 12 43.569 18.605 -30.073 1.00 42.74 O HETATM 1134 O HOH 13 38.769 12.436 -5.758 1.00 35.45 O HETATM 1135 O HOH 14 37.511 1.274 -18.814 1.00 37.80 O HETATM 1136 O HOH 15 20.604 21.899 -2.397 1.00 37.15 O HETATM 1137 O HOH 16 31.878 2.245 -22.526 1.00 41.41 O HETATM 1138 O HOH 17 35.152 21.413 -11.535 1.00 21.45 O HETATM 1139 O HOH 18 13.565 4.704 -16.357 1.00 48.59 O HETATM 1140 O HOH 19 42.342 11.220 -19.189 1.00 50.65 O HETATM 1141 O HOH 20 18.755 15.278 -22.210 1.00 22.50 O HETATM 1142 O HOH 21 27.672 25.764 -4.997 1.00 41.85 O HETATM 1143 O HOH 22 41.868 21.542 -29.064 1.00 47.53 O HETATM 1144 O HOH 23 38.365 7.801 -12.574 1.00 39.69 O HETATM 1145 O HOH 24 32.621 29.440 -12.809 1.00 51.12 O HETATM 1146 O HOH 25 36.801 11.770 -32.849 1.00 32.72 O HETATM 1147 O HOH 26 21.636 12.099 -11.481 1.00 20.99 O HETATM 1148 O HOH 27 21.337 1.780 -12.305 1.00 28.90 O HETATM 1149 O HOH 28 29.672 2.827 -18.413 1.00 37.16 O HETATM 1150 O HOH 29 39.239 10.225 -32.758 1.00 41.92 O HETATM 1151 O HOH 30 19.950 -0.587 -12.315 1.00 51.16 O HETATM 1152 O HOH 31 29.807 28.790 -15.638 1.00 44.07 O HETATM 1153 O HOH 32 23.792 26.350 -9.696 1.00 39.28 O HETATM 1154 O HOH 33 26.431 12.090 -12.444 1.00 26.14 O HETATM 1155 O HOH 34 27.401 12.138 -10.013 1.00 22.45 O HETATM 1156 O HOH 35 45.450 3.018 -21.164 1.00 55.16 O HETATM 1157 O HOH 36 27.161 2.880 -15.393 1.00 40.78 O HETATM 1158 O HOH 37 34.889 6.918 -35.234 1.00 39.80 O HETATM 1159 O HOH 38 33.988 5.778 -11.665 1.00 54.54 O HETATM 1160 O HOH 39 42.007 1.555 -27.228 1.00 41.78 O HETATM 1161 O HOH 40 41.849 21.713 -19.964 1.00 38.84 O HETATM 1162 O HOH 41 11.709 9.518 -7.937 1.00 47.01 O HETATM 1163 O HOH 42 47.150 13.683 -32.219 1.00 53.61 O HETATM 1164 O HOH 43 17.122 25.624 -7.689 1.00 50.10 O HETATM 1165 O HOH 44 27.490 11.748 -29.482 1.00 24.07 O HETATM 1166 O HOH 45 30.571 6.993 -31.359 1.00 32.33 O HETATM 1167 O HOH 46 40.557 6.250 -26.908 1.00 42.38 O HETATM 1168 O HOH 47 34.511 3.692 -13.402 1.00 50.27 O HETATM 1169 O HOH 48 28.838 4.249 -21.484 1.00 30.67 O HETATM 1170 O HOH 49 28.219 6.872 -12.393 1.00 25.03 O HETATM 1171 O HOH 50 27.960 27.786 -17.199 1.00 33.74 O HETATM 1172 O HOH 51 34.579 10.680 -35.294 1.00 51.06 O HETATM 1173 O HOH 52 23.897 12.278 -13.243 1.00 22.38 O HETATM 1174 O HOH 53 9.888 5.631 -7.893 1.00 46.36 O HETATM 1175 O HOH 54 21.495 26.823 -13.887 1.00 29.29 O HETATM 1176 O HOH 55 27.032 4.438 0.251 1.00 43.58 O HETATM 1177 O HOH 56 19.100 9.251 -19.035 1.00 35.12 O HETATM 1178 O HOH 57 35.194 30.395 -10.877 1.00 51.18 O HETATM 1179 O HOH 58 17.001 21.539 -4.535 1.00 30.43 O HETATM 1180 O HOH 59 37.696 21.027 -8.472 1.00 34.49 O HETATM 1181 O HOH 60 23.790 10.523 -24.183 1.00 23.68 O HETATM 1182 O HOH 61 22.392 12.018 3.065 1.00 26.33 O HETATM 1183 O HOH 62 20.491 -1.035 -15.095 1.00 39.20 O HETATM 1184 O HOH 63 16.813 23.812 -11.266 1.00 30.32 O HETATM 1185 O HOH 64 24.101 9.167 -13.058 1.00 22.10 O HETATM 1186 O HOH 65 42.890 6.132 -28.187 1.00 51.13 O HETATM 1187 O HOH 66 30.503 13.815 -6.616 1.00 27.96 O HETATM 1188 O HOH 67 33.093 27.562 -9.209 1.00 33.70 O HETATM 1189 O HOH 68 27.207 26.774 -23.927 1.00 29.30 O HETATM 1190 O HOH 69 20.384 6.024 -17.658 1.00 25.44 O HETATM 1191 O HOH 70 25.345 5.964 -9.428 1.00 24.30 O HETATM 1192 O HOH 71 19.263 12.487 2.111 1.00 39.84 O HETATM 1193 O HOH 72 21.955 25.068 -7.551 1.00 28.93 O HETATM 1194 O HOH 73 12.302 10.374 -10.620 1.00 37.81 O HETATM 1195 O HOH 74 24.283 3.568 -3.409 1.00 43.58 O HETATM 1196 O HOH 75 21.538 12.237 -23.646 1.00 26.67 O HETATM 1197 O HOH 76 46.764 5.950 -19.776 1.00 60.72 O HETATM 1198 O HOH 77 24.641 4.323 -6.000 1.00 29.45 O HETATM 1199 O HOH 78 14.688 -2.264 -6.772 1.00 56.63 O HETATM 1200 O HOH 79 31.829 5.073 -33.374 1.00 39.03 O HETATM 1201 O HOH 80 17.438 -0.785 -7.403 1.00 55.86 O HETATM 1202 O HOH 81 31.488 3.223 -14.035 1.00 49.35 O HETATM 1203 O HOH 82 31.670 19.414 -31.913 1.00 36.09 O HETATM 1204 O HOH 83 11.591 10.390 -14.744 1.00 52.58 O HETATM 1205 O HOH 84 24.573 20.853 -28.181 1.00 24.58 O HETATM 1206 O HOH 85 45.941 12.804 -19.746 1.00 59.34 O HETATM 1207 O HOH 86 16.217 17.438 -2.379 1.00 50.51 O HETATM 1208 O HOH 87 41.233 13.801 -34.599 1.00 40.16 O HETATM 1209 O HOH 88 13.012 1.151 -4.807 1.00 57.30 O HETATM 1210 O HOH 89 28.005 12.448 -6.546 1.00 30.30 O HETATM 1211 O HOH 90 40.024 0.828 -14.731 1.00 53.36 O HETATM 1212 O HOH 91 26.153 8.126 -11.166 1.00 22.55 O HETATM 1213 O HOH 92 41.376 23.432 -16.970 1.00 53.67 O HETATM 1214 O HOH 93 41.979 22.573 -10.533 1.00 32.17 O HETATM 1215 O HOH 94 44.415 13.284 -35.234 1.00 42.92 O HETATM 1216 O HOH 95 25.416 12.765 -27.923 1.00 23.01 O HETATM 1217 O HOH 96 18.297 2.978 -5.996 1.00 36.31 O HETATM 1218 O HOH 97 30.711 22.004 -33.270 1.00 35.41 O HETATM 1219 O HOH 98 26.806 11.133 -4.450 1.00 35.29 O HETATM 1220 O HOH 99 20.290 9.794 3.730 1.00 38.05 O HETATM 1221 O HOH 100 40.675 26.376 -12.454 1.00 31.23 O HETATM 1222 O HOH 101 27.213 4.217 -29.996 1.00 44.32 O HETATM 1223 O HOH 102 44.634 10.137 -20.177 1.00 44.38 O HETATM 1224 O HOH 103 16.121 11.049 0.303 1.00 43.01 O HETATM 1225 O HOH 104 17.565 5.687 -17.634 1.00 31.43 O HETATM 1226 O HOH 105 41.646 19.698 -11.190 1.00 38.64 O HETATM 1227 O HOH 106 27.995 14.627 -30.702 1.00 36.87 O HETATM 1228 O HOH 107 18.494 26.594 -13.984 1.00 38.48 O HETATM 1229 O HOH 108 39.825 7.180 -24.923 1.00 36.99 O HETATM 1230 O HOH 109 41.524 -1.217 -22.573 1.00 50.68 O HETATM 1231 O HOH 110 42.807 0.180 -25.033 1.00 51.37 O HETATM 1232 O HOH 111 13.761 10.098 -1.338 1.00 59.92 O HETATM 1233 O HOH 112 36.199 4.533 -34.174 1.00 47.21 O HETATM 1234 O HOH 113 39.635 -1.227 -25.540 1.00 42.05 O HETATM 1235 O HOH 114 25.297 14.721 -31.436 1.00 28.14 O HETATM 1236 O HOH 115 19.735 26.836 -7.760 1.00 43.55 O HETATM 1237 O HOH 116 26.176 26.578 -8.163 1.00 42.76 O HETATM 1238 O HOH 117 31.443 3.776 -11.231 1.00 59.79 O HETATM 1239 O HOH 118 30.026 10.261 -3.988 1.00 49.44 O HETATM 1240 O HOH 119 36.745 5.400 -11.594 1.00 52.19 O HETATM 1241 O HOH 120 21.216 19.574 -4.400 1.00 49.83 O HETATM 1242 O HOH 121 23.354 0.283 -12.984 1.00 44.57 O HETATM 1243 O HOH 122 36.106 26.202 -33.600 1.00 42.74 O HETATM 1244 O HOH 123 23.051 -2.397 -18.048 1.00 48.69 O HETATM 1245 O HOH 124 44.816 26.418 -11.440 1.00 56.37 O HETATM 1246 O HOH 125 42.709 24.437 -12.207 1.00 43.73 O HETATM 1247 O HOH 126 29.324 8.171 -33.677 1.00 54.45 O HETATM 1248 O HOH 127 29.575 26.371 -3.644 1.00 44.12 O HETATM 1249 O HOH 128 28.596 5.365 -4.867 1.00 52.34 O HETATM 1250 O HOH 129 40.847 28.886 -11.332 1.00 44.78 O HETATM 1251 O HOH 130 33.513 3.364 -34.999 1.00 38.36 O HETATM 1252 O HOH 131 26.526 8.721 -29.931 1.00 42.70 O HETATM 1253 O HOH 132 19.579 10.317 -23.738 1.00 43.72 O HETATM 1254 O HOH 133 32.406 17.373 -33.556 1.00 52.13 O HETATM 1255 O HOH 134 22.284 28.113 -16.052 1.00 38.98 O HETATM 1256 O HOH 135 28.600 4.257 -11.897 1.00 34.53 O HETATM 1257 O HOH 136 29.111 4.919 -34.226 1.00 39.27 O HETATM 1258 O HOH 137 22.845 25.382 -5.341 1.00 42.58 O HETATM 1259 O HOH 138 27.265 12.302 -2.273 1.00 38.86 O HETATM 1260 O HOH 139 25.812 1.427 -10.944 1.00 53.30 O HETATM 1261 O HOH 140 31.430 29.567 -9.319 1.00 48.10 O HETATM 1262 O HOH 141 20.099 5.299 -20.319 1.00 36.23 O HETATM 1263 O HOH 142 10.408 3.539 -9.250 1.00 60.52 O HETATM 1264 O HOH 143 26.758 3.780 -9.733 1.00 32.55 O HETATM 1265 O HOH 144 41.946 16.372 -14.128 1.00 48.31 O HETATM 1266 O HOH 145 24.486 30.023 -15.671 1.00 54.12 O HETATM 1267 O HOH 146 29.280 13.957 -2.452 1.00 38.71 O HETATM 1268 O HOH 147 13.632 12.145 3.161 1.00 56.96 O HETATM 1269 O HOH 148 20.043 8.698 -21.844 1.00 48.52 O HETATM 1270 O HOH 149 27.729 28.870 -8.820 1.00 48.98 O HETATM 1271 O HOH 150 43.620 -2.453 -23.821 1.00 65.43 O HETATM 1272 O HOH 151 14.239 17.369 3.255 1.00 45.86 O HETATM 1273 O HOH 152 46.453 -2.321 -24.901 1.00 63.07 O HETATM 1274 C3 UNN A 153 22.043 14.350 -5.977 1.00 0.00 C HETATM 1275 C2 UNN A 153 23.279 14.559 -5.402 1.00 -0.03 C HETATM 1276 C1 UNN A 153 24.459 14.483 -6.073 1.00 0.08 C HETATM 1277 C23 UNN A 153 24.434 14.183 -7.451 1.00 -0.01 C HETATM 1278 C21 UNN A 153 23.197 14.015 -8.057 1.00 0.10 C HETATM 1279 C4 UNN A 153 22.040 14.038 -7.369 1.00 0.08 C HETATM 1280 C5 UNN A 153 20.708 13.866 -7.920 1.00 0.22 C HETATM 1281 O1 UNN A 153 20.519 13.470 -9.106 1.00 -0.40 O HETATM 1282 N UNN A 153 19.600 13.961 -7.128 1.00 -0.20 N HETATM 1283 C6 UNN A 153 19.707 14.298 -5.788 1.00 0.15 C HETATM 1284 N1 UNN A 153 20.911 14.476 -5.271 1.00 -0.31 N HETATM 1285 C7 UNN A 153 18.483 14.380 -4.962 1.00 0.02 C HETATM 1286 C8 UNN A 153 18.672 14.209 -3.556 1.00 -0.05 C HETATM 1287 C9 UNN A 153 17.553 14.253 -2.752 1.00 -0.01 C HETATM 1288 C11 UNN A 153 16.282 14.424 -3.287 1.00 0.10 C HETATM 1289 C18 UNN A 153 16.072 14.538 -4.690 1.00 -0.01 C HETATM 1290 C19 UNN A 153 14.719 14.605 -5.311 1.00 -0.03 C HETATM 1291 H12 UNN A 153 14.821 14.690 -6.403 1.00 0.04 H HETATM 1292 H13 UNN A 153 14.181 15.482 -4.923 1.00 0.04 H HETATM 1293 H14 UNN A 153 14.157 13.692 -5.065 1.00 0.04 H HETATM 1294 C20 UNN A 153 17.218 14.472 -5.462 1.00 -0.05 C HETATM 1295 H15 UNN A 153 17.102 14.495 -6.540 1.00 0.05 H HETATM 1296 O2 UNN A 153 15.162 14.431 -2.492 1.00 -0.31 O HETATM 1297 C12 UNN A 153 14.668 13.130 -2.152 1.00 0.11 C HETATM 1298 C13 UNN A 153 13.810 13.291 -0.876 1.00 -0.00 C HETATM 1299 N2 UNN A 153 13.030 14.514 -1.023 1.00 0.24 N HETATM 1300 C14 UNN A 153 12.261 14.794 0.210 1.00 -0.03 C HETATM 1301 C15 UNN A 153 10.905 14.189 -0.129 1.00 -0.01 C HETATM 1302 C16 UNN A 153 10.685 14.515 -1.591 1.00 -0.01 C HETATM 1303 C17 UNN A 153 12.085 14.363 -2.163 1.00 -0.03 C HETATM 1304 H16 UNN A 153 12.201 13.371 -2.623 1.00 0.08 H HETATM 1305 H17 UNN A 153 12.273 15.141 -2.917 1.00 0.08 H HETATM 1306 H27 UNN A 153 9.984 13.807 -2.057 1.00 0.03 H HETATM 1307 H28 UNN A 153 10.310 15.541 -1.720 1.00 0.03 H HETATM 1308 H29 UNN A 153 10.115 14.639 0.490 1.00 0.03 H HETATM 1309 H30 UNN A 153 10.918 13.100 0.027 1.00 0.03 H HETATM 1310 H10 UNN A 153 12.182 15.875 0.397 1.00 0.08 H HETATM 1311 H11 UNN A 153 12.712 14.303 1.085 1.00 0.08 H HETATM 1312 H26 UNN A 153 13.655 15.284 -1.205 1.00 0.20 H HETATM 1313 H8 UNN A 153 14.461 13.365 0.007 1.00 0.08 H HETATM 1314 H9 UNN A 153 13.137 12.428 -0.764 1.00 0.08 H HETATM 1315 H3 UNN A 153 14.053 12.733 -2.973 1.00 0.07 H HETATM 1316 H4 UNN A 153 15.508 12.446 -1.959 1.00 0.07 H HETATM 1317 C10 UNN A 153 17.863 14.154 -1.241 1.00 -0.03 C HETATM 1318 H5 UNN A 153 18.945 14.021 -1.097 1.00 0.04 H HETATM 1319 H6 UNN A 153 17.328 13.294 -0.812 1.00 0.04 H HETATM 1320 H7 UNN A 153 17.537 15.076 -0.739 1.00 0.04 H HETATM 1321 H2 UNN A 153 19.659 14.050 -3.137 1.00 0.05 H HETATM 1322 H25 UNN A 153 18.697 13.785 -7.521 1.00 0.25 H HETATM 1323 O3 UNN A 153 23.184 13.794 -9.455 1.00 -0.32 O HETATM 1324 C22 UNN A 153 24.412 14.021 -10.214 1.00 0.06 C HETATM 1325 H18 UNN A 153 24.231 13.805 -11.277 1.00 0.06 H HETATM 1326 H19 UNN A 153 25.205 13.359 -9.835 1.00 0.06 H HETATM 1327 H20 UNN A 153 24.724 15.070 -10.101 1.00 0.06 H HETATM 1328 H21 UNN A 153 25.352 14.087 -8.019 1.00 0.04 H HETATM 1329 O UNN A 153 25.720 14.613 -5.632 1.00 -0.32 O HETATM 1330 C UNN A 153 25.852 14.891 -4.219 1.00 0.06 C HETATM 1331 H22 UNN A 153 26.918 14.979 -3.961 1.00 0.06 H HETATM 1332 H23 UNN A 153 25.401 14.072 -3.640 1.00 0.06 H HETATM 1333 H24 UNN A 153 25.338 15.834 -3.981 1.00 0.06 H HETATM 1334 H1 UNN A 153 23.312 14.800 -4.346 1.00 0.04 H CONECT 1 2 13 14 15 CONECT 13 1 CONECT 14 1 CONECT 15 1 CONECT 1274 1275 1279 1284 CONECT 1275 1274 1276 1334 CONECT 1276 1275 1277 1329 CONECT 1277 1276 1278 1328 CONECT 1278 1277 1279 1323 CONECT 1279 1274 1278 1280 CONECT 1280 1279 1281 1282 CONECT 1281 1280 CONECT 1282 1280 1283 1322 CONECT 1283 1282 1284 1285 CONECT 1284 1274 1283 CONECT 1285 1283 1286 1294 CONECT 1286 1285 1287 1321 CONECT 1287 1286 1288 1317 CONECT 1288 1287 1289 1296 CONECT 1289 1288 1290 1294 CONECT 1290 1289 1291 1292 1293 CONECT 1291 1290 CONECT 1292 1290 CONECT 1293 1290 CONECT 1294 1285 1289 1295 CONECT 1295 1294 CONECT 1296 1288 1297 CONECT 1297 1296 1298 1315 1316 CONECT 1298 1297 1299 1313 1314 CONECT 1299 1298 1300 1303 1312 CONECT 1300 1299 1301 1310 1311 CONECT 1301 1300 1302 1308 1309 CONECT 1302 1301 1303 1306 1307 CONECT 1303 1299 1302 1304 1305 CONECT 1304 1303 CONECT 1305 1303 CONECT 1306 1302 CONECT 1307 1302 CONECT 1308 1301 CONECT 1309 1301 CONECT 1310 1300 CONECT 1311 1300 CONECT 1312 1299 CONECT 1313 1298 CONECT 1314 1298 CONECT 1315 1297 CONECT 1316 1297 CONECT 1317 1287 1318 1319 1320 CONECT 1318 1317 CONECT 1319 1317 CONECT 1320 1317 CONECT 1321 1286 CONECT 1322 1282 CONECT 1323 1278 1324 CONECT 1324 1323 1325 1326 1327 CONECT 1325 1324 CONECT 1326 1324 CONECT 1327 1324 CONECT 1328 1277 CONECT 1329 1276 1330 CONECT 1330 1329 1331 1332 1333 CONECT 1331 1330 CONECT 1332 1330 CONECT 1333 1330 CONECT 1334 1275 MASTER 0 0 0 0 0 0 0 0 1333 1 65 9 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5dw2
RCSB PDB
PDBbind
5GD
Entry Information
PDB ID
5dw1
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human BRD2(BD2)
Ligand Name
5GD
EC.Number
E.C.-.-.-.-
Resolution
1.55(Å)
Affinity (Kd/Ki/IC50)
IC50=0.08uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Biochem.Biophys.Res.Commun. Vol. 477: pp. 62-67
Ligand Properties
Formula
C
2
4
H
3
0
N
3
O
4
Molecular Weight
424.513
Exact Mass
424.224
No. of atoms
61
No. of bonds
64
Polar Surface Area
77.88
LOGP Value
3.52 (
Computed with XLOGP3
)
3.85 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
Canonical SMILES
COc1cc(OC)c2c(c1)nc([nH]c2=O)c1cc(C)c(c(c1)C)OCC[NH+]1CCCC1
InChI String
InChI=1S/C24H29N3O4/c1-15-11-17(12-16(2)22(15)31-10-9-27-7-5-6-8-27)23-25-19-13-18(29-3)14-20(30-4)21(19)24(28)26-23/h11-14H,5-10H2,1-4H3,(H,25,26,28)/p+1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P25440
Entrez Gene ID
NCBI Entrez Gene ID:
6046
ASD
Information of known allosteric effects of PDB entries
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