USER MOD reduce.3.24.130724 H: found=0, std=0, add=316, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 317 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 474 HIS HE2 : A 474 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 478 HIS HE2 : A 478 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 445 SER OG : rot 5:sc= 0.845 USER MOD Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 449 SER OG : rot 180:sc= -0.0883 USER MOD Single : A 451 THR OG1 : rot 41:sc= 0.423 USER MOD Single : A 454 LYS NZ :NH3+ -126:sc= -0.0695 (180deg=-0.814) USER MOD Single : A 456 TYR OH : rot 180:sc= 0 USER MOD Single : A 457 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.053) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 463 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 SER OG : rot 180:sc= 0 USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 470 CYS SG : rot 180:sc= 0 USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 482 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 484 SER OG : rot 180:sc= 0 USER MOD Single : A 487 SER OG : rot 180:sc= 0 USER MOD Single : A 488 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 444 25.022 32.496 21.440 1.00 0.00 N ATOM 2 CA GLY A 444 24.000 31.468 21.356 1.00 0.00 C ATOM 3 C GLY A 444 23.666 31.097 19.925 1.00 0.00 C ATOM 4 O GLY A 444 23.331 31.961 19.115 1.00 0.00 O ATOM 0 HA2 GLY A 444 24.339 30.579 21.889 1.00 0.00 H new ATOM 0 HA3 GLY A 444 23.097 31.816 21.858 1.00 0.00 H new ATOM 8 N SER A 445 23.760 29.809 19.612 1.00 0.00 N ATOM 9 CA SER A 445 23.471 29.326 18.266 1.00 0.00 C ATOM 10 C SER A 445 23.290 27.811 18.260 1.00 0.00 C ATOM 11 O SER A 445 24.182 27.067 18.667 1.00 0.00 O ATOM 12 CB SER A 445 24.596 29.720 17.308 1.00 0.00 C ATOM 13 OG SER A 445 25.731 28.890 17.484 1.00 0.00 O ATOM 0 H SER A 445 24.034 29.081 20.272 1.00 0.00 H new ATOM 0 HA SER A 445 22.541 29.787 17.933 1.00 0.00 H new ATOM 0 HB2 SER A 445 24.244 29.646 16.279 1.00 0.00 H new ATOM 0 HB3 SER A 445 24.873 30.761 17.476 1.00 0.00 H new ATOM 0 HG SER A 445 25.524 28.187 18.135 1.00 0.00 H new ATOM 19 N SER A 446 22.128 27.363 17.797 1.00 0.00 N ATOM 20 CA SER A 446 21.826 25.937 17.741 1.00 0.00 C ATOM 21 C SER A 446 20.555 25.682 16.937 1.00 0.00 C ATOM 22 O SER A 446 19.924 26.614 16.439 1.00 0.00 O ATOM 23 CB SER A 446 21.671 25.371 19.154 1.00 0.00 C ATOM 24 OG SER A 446 21.027 26.301 20.008 1.00 0.00 O ATOM 0 H SER A 446 21.380 27.966 17.455 1.00 0.00 H new ATOM 0 HA SER A 446 22.656 25.434 17.245 1.00 0.00 H new ATOM 0 HB2 SER A 446 21.095 24.446 19.118 1.00 0.00 H new ATOM 0 HB3 SER A 446 22.652 25.120 19.558 1.00 0.00 H new ATOM 0 HG SER A 446 20.938 25.915 20.904 1.00 0.00 H new ATOM 30 N GLY A 447 20.184 24.411 16.814 1.00 0.00 N ATOM 31 CA GLY A 447 18.990 24.055 16.070 1.00 0.00 C ATOM 32 C GLY A 447 19.221 24.050 14.572 1.00 0.00 C ATOM 33 O GLY A 447 18.755 24.941 13.862 1.00 0.00 O ATOM 0 H GLY A 447 20.689 23.622 17.216 1.00 0.00 H new ATOM 0 HA2 GLY A 447 18.650 23.069 16.385 1.00 0.00 H new ATOM 0 HA3 GLY A 447 18.193 24.759 16.309 1.00 0.00 H new ATOM 37 N SER A 448 19.945 23.045 14.089 1.00 0.00 N ATOM 38 CA SER A 448 20.242 22.931 12.666 1.00 0.00 C ATOM 39 C SER A 448 19.241 22.010 11.974 1.00 0.00 C ATOM 40 O SER A 448 19.522 20.835 11.739 1.00 0.00 O ATOM 41 CB SER A 448 21.663 22.404 12.461 1.00 0.00 C ATOM 42 OG SER A 448 22.608 23.201 13.154 1.00 0.00 O ATOM 0 H SER A 448 20.337 22.298 14.663 1.00 0.00 H new ATOM 0 HA SER A 448 20.163 23.924 12.223 1.00 0.00 H new ATOM 0 HB2 SER A 448 21.726 21.373 12.811 1.00 0.00 H new ATOM 0 HB3 SER A 448 21.901 22.395 11.397 1.00 0.00 H new ATOM 0 HG SER A 448 23.508 22.842 13.008 1.00 0.00 H new ATOM 48 N SER A 449 18.072 22.553 11.652 1.00 0.00 N ATOM 49 CA SER A 449 17.026 21.780 10.991 1.00 0.00 C ATOM 50 C SER A 449 17.544 21.164 9.694 1.00 0.00 C ATOM 51 O SER A 449 18.623 21.512 9.216 1.00 0.00 O ATOM 52 CB SER A 449 15.814 22.667 10.699 1.00 0.00 C ATOM 53 OG SER A 449 14.725 21.900 10.218 1.00 0.00 O ATOM 0 H SER A 449 17.825 23.525 11.838 1.00 0.00 H new ATOM 0 HA SER A 449 16.725 20.975 11.661 1.00 0.00 H new ATOM 0 HB2 SER A 449 15.519 23.195 11.606 1.00 0.00 H new ATOM 0 HB3 SER A 449 16.083 23.424 9.963 1.00 0.00 H new ATOM 0 HG SER A 449 13.963 22.490 10.041 1.00 0.00 H new ATOM 59 N GLY A 450 16.765 20.246 9.130 1.00 0.00 N ATOM 60 CA GLY A 450 17.160 19.595 7.895 1.00 0.00 C ATOM 61 C GLY A 450 16.901 18.102 7.917 1.00 0.00 C ATOM 62 O GLY A 450 16.775 17.501 8.985 1.00 0.00 O ATOM 0 H GLY A 450 15.867 19.942 9.507 1.00 0.00 H new ATOM 0 HA2 GLY A 450 16.617 20.042 7.063 1.00 0.00 H new ATOM 0 HA3 GLY A 450 18.220 19.774 7.717 1.00 0.00 H new ATOM 66 N THR A 451 16.818 17.499 6.735 1.00 0.00 N ATOM 67 CA THR A 451 16.569 16.068 6.622 1.00 0.00 C ATOM 68 C THR A 451 17.618 15.394 5.746 1.00 0.00 C ATOM 69 O THR A 451 17.649 15.595 4.532 1.00 0.00 O ATOM 70 CB THR A 451 15.171 15.785 6.040 1.00 0.00 C ATOM 71 OG1 THR A 451 14.993 16.512 4.819 1.00 0.00 O ATOM 72 CG2 THR A 451 14.084 16.173 7.030 1.00 0.00 C ATOM 0 H THR A 451 16.920 17.981 5.842 1.00 0.00 H new ATOM 0 HA THR A 451 16.625 15.658 7.630 1.00 0.00 H new ATOM 0 HB THR A 451 15.094 14.716 5.841 1.00 0.00 H new ATOM 0 HG1 THR A 451 15.821 16.480 4.296 1.00 0.00 H new ATOM 0 HG21 THR A 451 13.106 15.964 6.597 1.00 0.00 H new ATOM 0 HG22 THR A 451 14.205 15.597 7.947 1.00 0.00 H new ATOM 0 HG23 THR A 451 14.161 17.236 7.256 1.00 0.00 H new ATOM 80 N GLY A 452 18.477 14.593 6.368 1.00 0.00 N ATOM 81 CA GLY A 452 19.516 13.901 5.628 1.00 0.00 C ATOM 82 C GLY A 452 19.276 12.406 5.551 1.00 0.00 C ATOM 83 O GLY A 452 19.524 11.784 4.518 1.00 0.00 O ATOM 0 H GLY A 452 18.472 14.411 7.372 1.00 0.00 H new ATOM 0 HA2 GLY A 452 19.572 14.309 4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 452 20.480 14.087 6.101 1.00 0.00 H new ATOM 87 N GLU A 453 18.793 11.828 6.646 1.00 0.00 N ATOM 88 CA GLU A 453 18.522 10.396 6.698 1.00 0.00 C ATOM 89 C GLU A 453 17.026 10.121 6.578 1.00 0.00 C ATOM 90 O GLU A 453 16.199 10.911 7.033 1.00 0.00 O ATOM 91 CB GLU A 453 19.059 9.800 8.000 1.00 0.00 C ATOM 92 CG GLU A 453 18.604 10.545 9.244 1.00 0.00 C ATOM 93 CD GLU A 453 19.132 9.923 10.522 1.00 0.00 C ATOM 94 OE1 GLU A 453 20.253 9.372 10.496 1.00 0.00 O ATOM 95 OE2 GLU A 453 18.425 9.989 11.550 1.00 0.00 O ATOM 0 H GLU A 453 18.581 12.329 7.509 1.00 0.00 H new ATOM 0 HA GLU A 453 19.029 9.925 5.856 1.00 0.00 H new ATOM 0 HB2 GLU A 453 18.740 8.760 8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 453 20.148 9.798 7.966 1.00 0.00 H new ATOM 0 HG2 GLU A 453 18.937 11.581 9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 453 17.515 10.561 9.275 1.00 0.00 H new ATOM 102 N LYS A 454 16.685 8.995 5.961 1.00 0.00 N ATOM 103 CA LYS A 454 15.290 8.613 5.781 1.00 0.00 C ATOM 104 C LYS A 454 15.084 7.136 6.102 1.00 0.00 C ATOM 105 O LYS A 454 15.931 6.298 5.790 1.00 0.00 O ATOM 106 CB LYS A 454 14.842 8.900 4.346 1.00 0.00 C ATOM 107 CG LYS A 454 13.383 8.568 4.085 1.00 0.00 C ATOM 108 CD LYS A 454 12.864 9.273 2.843 1.00 0.00 C ATOM 109 CE LYS A 454 13.521 8.735 1.581 1.00 0.00 C ATOM 110 NZ LYS A 454 14.768 9.477 1.245 1.00 0.00 N ATOM 0 H LYS A 454 17.357 8.330 5.577 1.00 0.00 H new ATOM 0 HA LYS A 454 14.686 9.204 6.469 1.00 0.00 H new ATOM 0 HB2 LYS A 454 15.011 9.954 4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 454 15.465 8.327 3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 454 13.270 7.490 3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 454 12.783 8.859 4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 454 11.784 9.145 2.775 1.00 0.00 H new ATOM 0 HD3 LYS A 454 13.053 10.343 2.925 1.00 0.00 H new ATOM 0 HE2 LYS A 454 13.752 7.678 1.714 1.00 0.00 H new ATOM 0 HE3 LYS A 454 12.821 8.806 0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 14.712 9.826 0.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 14.878 10.282 1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 15.586 8.842 1.340 1.00 0.00 H new ATOM 124 N LEU A 455 13.954 6.823 6.727 1.00 0.00 N ATOM 125 CA LEU A 455 13.636 5.446 7.089 1.00 0.00 C ATOM 126 C LEU A 455 12.259 5.050 6.567 1.00 0.00 C ATOM 127 O LEU A 455 11.256 5.690 6.883 1.00 0.00 O ATOM 128 CB LEU A 455 13.687 5.274 8.608 1.00 0.00 C ATOM 129 CG LEU A 455 15.015 5.626 9.280 1.00 0.00 C ATOM 130 CD1 LEU A 455 15.072 7.111 9.603 1.00 0.00 C ATOM 131 CD2 LEU A 455 15.212 4.796 10.540 1.00 0.00 C ATOM 0 H LEU A 455 13.243 7.504 6.994 1.00 0.00 H new ATOM 0 HA LEU A 455 14.379 4.794 6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 455 12.905 5.891 9.050 1.00 0.00 H new ATOM 0 HB3 LEU A 455 13.447 4.237 8.844 1.00 0.00 H new ATOM 0 HG LEU A 455 15.824 5.394 8.587 1.00 0.00 H new ATOM 0 HD11 LEU A 455 16.024 7.343 10.081 1.00 0.00 H new ATOM 0 HD12 LEU A 455 14.978 7.687 8.683 1.00 0.00 H new ATOM 0 HD13 LEU A 455 14.255 7.368 10.278 1.00 0.00 H new ATOM 0 HD21 LEU A 455 16.162 5.060 11.005 1.00 0.00 H new ATOM 0 HD22 LEU A 455 14.399 4.995 11.238 1.00 0.00 H new ATOM 0 HD23 LEU A 455 15.217 3.737 10.281 1.00 0.00 H new ATOM 143 N TYR A 456 12.218 3.990 5.768 1.00 0.00 N ATOM 144 CA TYR A 456 10.964 3.507 5.201 1.00 0.00 C ATOM 145 C TYR A 456 10.055 2.944 6.290 1.00 0.00 C ATOM 146 O TYR A 456 10.403 1.976 6.965 1.00 0.00 O ATOM 147 CB TYR A 456 11.236 2.436 4.144 1.00 0.00 C ATOM 148 CG TYR A 456 12.325 2.814 3.165 1.00 0.00 C ATOM 149 CD1 TYR A 456 12.386 4.091 2.622 1.00 0.00 C ATOM 150 CD2 TYR A 456 13.294 1.893 2.785 1.00 0.00 C ATOM 151 CE1 TYR A 456 13.378 4.440 1.727 1.00 0.00 C ATOM 152 CE2 TYR A 456 14.291 2.234 1.891 1.00 0.00 C ATOM 153 CZ TYR A 456 14.328 3.509 1.365 1.00 0.00 C ATOM 154 OH TYR A 456 15.320 3.853 0.475 1.00 0.00 O ATOM 0 H TYR A 456 13.039 3.448 5.498 1.00 0.00 H new ATOM 0 HA TYR A 456 10.459 4.351 4.731 1.00 0.00 H new ATOM 0 HB2 TYR A 456 11.514 1.507 4.643 1.00 0.00 H new ATOM 0 HB3 TYR A 456 10.316 2.239 3.593 1.00 0.00 H new ATOM 0 HD1 TYR A 456 11.645 4.824 2.905 1.00 0.00 H new ATOM 0 HD2 TYR A 456 13.267 0.894 3.195 1.00 0.00 H new ATOM 0 HE1 TYR A 456 13.409 5.437 1.313 1.00 0.00 H new ATOM 0 HE2 TYR A 456 15.037 1.507 1.606 1.00 0.00 H new ATOM 0 HH TYR A 456 15.908 3.083 0.327 1.00 0.00 H new ATOM 164 N ASN A 457 8.888 3.559 6.454 1.00 0.00 N ATOM 165 CA ASN A 457 7.928 3.121 7.460 1.00 0.00 C ATOM 166 C ASN A 457 6.575 3.794 7.251 1.00 0.00 C ATOM 167 O ASN A 457 6.441 5.007 7.415 1.00 0.00 O ATOM 168 CB ASN A 457 8.452 3.429 8.864 1.00 0.00 C ATOM 169 CG ASN A 457 7.709 2.661 9.940 1.00 0.00 C ATOM 170 OD1 ASN A 457 6.595 3.023 10.320 1.00 0.00 O ATOM 171 ND2 ASN A 457 8.324 1.594 10.437 1.00 0.00 N ATOM 0 H ASN A 457 8.585 4.362 5.903 1.00 0.00 H new ATOM 0 HA ASN A 457 7.798 2.044 7.356 1.00 0.00 H new ATOM 0 HB2 ASN A 457 9.513 3.185 8.914 1.00 0.00 H new ATOM 0 HB3 ASN A 457 8.361 4.498 9.056 1.00 0.00 H new ATOM 0 HD21 ASN A 457 7.873 1.038 11.163 1.00 0.00 H new ATOM 0 HD22 ASN A 457 9.247 1.331 10.092 1.00 0.00 H new ATOM 178 N CYS A 458 5.574 2.999 6.888 1.00 0.00 N ATOM 179 CA CYS A 458 4.231 3.516 6.656 1.00 0.00 C ATOM 180 C CYS A 458 3.571 3.925 7.970 1.00 0.00 C ATOM 181 O CYS A 458 3.035 3.087 8.695 1.00 0.00 O ATOM 182 CB CYS A 458 3.373 2.467 5.946 1.00 0.00 C ATOM 183 SG CYS A 458 1.864 3.137 5.178 1.00 0.00 S ATOM 0 H CYS A 458 5.668 1.993 6.748 1.00 0.00 H new ATOM 0 HA CYS A 458 4.313 4.398 6.021 1.00 0.00 H new ATOM 0 HB2 CYS A 458 3.974 1.981 5.177 1.00 0.00 H new ATOM 0 HB3 CYS A 458 3.091 1.697 6.664 1.00 0.00 H new ATOM 188 N LYS A 459 3.615 5.218 8.271 1.00 0.00 N ATOM 189 CA LYS A 459 3.021 5.740 9.496 1.00 0.00 C ATOM 190 C LYS A 459 1.504 5.840 9.365 1.00 0.00 C ATOM 191 O LYS A 459 0.782 5.781 10.360 1.00 0.00 O ATOM 192 CB LYS A 459 3.606 7.115 9.826 1.00 0.00 C ATOM 193 CG LYS A 459 5.117 7.111 9.979 1.00 0.00 C ATOM 194 CD LYS A 459 5.603 8.326 10.752 1.00 0.00 C ATOM 195 CE LYS A 459 7.105 8.276 10.984 1.00 0.00 C ATOM 196 NZ LYS A 459 7.867 8.648 9.760 1.00 0.00 N ATOM 0 H LYS A 459 4.056 5.925 7.683 1.00 0.00 H new ATOM 0 HA LYS A 459 3.254 5.049 10.306 1.00 0.00 H new ATOM 0 HB2 LYS A 459 3.331 7.816 9.038 1.00 0.00 H new ATOM 0 HB3 LYS A 459 3.156 7.480 10.749 1.00 0.00 H new ATOM 0 HG2 LYS A 459 5.429 6.202 10.494 1.00 0.00 H new ATOM 0 HG3 LYS A 459 5.583 7.095 8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 459 5.349 9.233 10.203 1.00 0.00 H new ATOM 0 HD3 LYS A 459 5.087 8.378 11.711 1.00 0.00 H new ATOM 0 HE2 LYS A 459 7.370 8.953 11.797 1.00 0.00 H new ATOM 0 HE3 LYS A 459 7.391 7.272 11.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 459 8.887 8.602 9.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 459 7.634 7.987 8.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 459 7.613 9.615 9.474 1.00 0.00 H new ATOM 210 N GLU A 460 1.029 5.990 8.133 1.00 0.00 N ATOM 211 CA GLU A 460 -0.402 6.097 7.874 1.00 0.00 C ATOM 212 C GLU A 460 -1.160 4.944 8.525 1.00 0.00 C ATOM 213 O GLU A 460 -1.906 5.139 9.485 1.00 0.00 O ATOM 214 CB GLU A 460 -0.670 6.113 6.368 1.00 0.00 C ATOM 215 CG GLU A 460 0.008 7.262 5.641 1.00 0.00 C ATOM 216 CD GLU A 460 0.286 6.947 4.183 1.00 0.00 C ATOM 217 OE1 GLU A 460 1.289 6.256 3.907 1.00 0.00 O ATOM 218 OE2 GLU A 460 -0.499 7.392 3.320 1.00 0.00 O ATOM 0 H GLU A 460 1.614 6.040 7.299 1.00 0.00 H new ATOM 0 HA GLU A 460 -0.755 7.032 8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -0.331 5.171 5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -1.745 6.172 6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -0.622 8.149 5.703 1.00 0.00 H new ATOM 0 HG3 GLU A 460 0.946 7.501 6.142 1.00 0.00 H new ATOM 225 N CYS A 461 -0.965 3.741 7.994 1.00 0.00 N ATOM 226 CA CYS A 461 -1.630 2.555 8.521 1.00 0.00 C ATOM 227 C CYS A 461 -0.797 1.909 9.625 1.00 0.00 C ATOM 228 O CYS A 461 -1.328 1.227 10.499 1.00 0.00 O ATOM 229 CB CYS A 461 -1.881 1.545 7.400 1.00 0.00 C ATOM 230 SG CYS A 461 -0.374 0.730 6.781 1.00 0.00 S ATOM 0 H CYS A 461 -0.352 3.562 7.199 1.00 0.00 H new ATOM 0 HA CYS A 461 -2.586 2.863 8.944 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -2.571 0.782 7.761 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -2.373 2.054 6.571 1.00 0.00 H new ATOM 235 N GLY A 462 0.514 2.130 9.576 1.00 0.00 N ATOM 236 CA GLY A 462 1.399 1.564 10.576 1.00 0.00 C ATOM 237 C GLY A 462 1.862 0.166 10.215 1.00 0.00 C ATOM 238 O GLY A 462 1.509 -0.805 10.884 1.00 0.00 O ATOM 0 H GLY A 462 0.978 2.691 8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 462 2.268 2.211 10.696 1.00 0.00 H new ATOM 0 HA3 GLY A 462 0.886 1.537 11.537 1.00 0.00 H new ATOM 242 N LYS A 463 2.655 0.063 9.154 1.00 0.00 N ATOM 243 CA LYS A 463 3.168 -1.226 8.704 1.00 0.00 C ATOM 244 C LYS A 463 4.572 -1.081 8.125 1.00 0.00 C ATOM 245 O LYS A 463 4.881 -0.090 7.463 1.00 0.00 O ATOM 246 CB LYS A 463 2.232 -1.832 7.656 1.00 0.00 C ATOM 247 CG LYS A 463 0.920 -2.336 8.231 1.00 0.00 C ATOM 248 CD LYS A 463 0.119 -3.111 7.199 1.00 0.00 C ATOM 249 CE LYS A 463 -0.847 -4.084 7.858 1.00 0.00 C ATOM 250 NZ LYS A 463 -2.036 -3.387 8.422 1.00 0.00 N ATOM 0 H LYS A 463 2.957 0.857 8.589 1.00 0.00 H new ATOM 0 HA LYS A 463 3.217 -1.891 9.566 1.00 0.00 H new ATOM 0 HB2 LYS A 463 2.021 -1.083 6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 463 2.742 -2.657 7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 463 1.120 -2.974 9.091 1.00 0.00 H new ATOM 0 HG3 LYS A 463 0.331 -1.492 8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -0.436 -2.415 6.571 1.00 0.00 H new ATOM 0 HD3 LYS A 463 0.799 -3.658 6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -1.173 -4.824 7.127 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -0.332 -4.625 8.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -2.670 -4.084 8.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -1.728 -2.699 9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -2.542 -2.891 7.660 1.00 0.00 H new ATOM 264 N SER A 464 5.417 -2.075 8.377 1.00 0.00 N ATOM 265 CA SER A 464 6.788 -2.057 7.882 1.00 0.00 C ATOM 266 C SER A 464 7.195 -3.430 7.358 1.00 0.00 C ATOM 267 O SER A 464 7.311 -4.390 8.121 1.00 0.00 O ATOM 268 CB SER A 464 7.747 -1.617 8.991 1.00 0.00 C ATOM 269 OG SER A 464 7.293 -2.052 10.260 1.00 0.00 O ATOM 0 H SER A 464 5.176 -2.903 8.921 1.00 0.00 H new ATOM 0 HA SER A 464 6.842 -1.343 7.060 1.00 0.00 H new ATOM 0 HB2 SER A 464 8.741 -2.022 8.799 1.00 0.00 H new ATOM 0 HB3 SER A 464 7.839 -0.531 8.987 1.00 0.00 H new ATOM 0 HG SER A 464 7.924 -1.760 10.951 1.00 0.00 H new ATOM 275 N PHE A 465 7.411 -3.517 6.050 1.00 0.00 N ATOM 276 CA PHE A 465 7.804 -4.773 5.421 1.00 0.00 C ATOM 277 C PHE A 465 9.321 -4.934 5.430 1.00 0.00 C ATOM 278 O PHE A 465 10.043 -4.091 5.963 1.00 0.00 O ATOM 279 CB PHE A 465 7.281 -4.835 3.985 1.00 0.00 C ATOM 280 CG PHE A 465 5.830 -4.470 3.859 1.00 0.00 C ATOM 281 CD1 PHE A 465 4.842 -5.419 4.067 1.00 0.00 C ATOM 282 CD2 PHE A 465 5.453 -3.177 3.534 1.00 0.00 C ATOM 283 CE1 PHE A 465 3.506 -5.086 3.951 1.00 0.00 C ATOM 284 CE2 PHE A 465 4.118 -2.837 3.417 1.00 0.00 C ATOM 285 CZ PHE A 465 3.143 -3.793 3.627 1.00 0.00 C ATOM 0 H PHE A 465 7.321 -2.733 5.404 1.00 0.00 H new ATOM 0 HA PHE A 465 7.366 -5.590 5.994 1.00 0.00 H new ATOM 0 HB2 PHE A 465 7.872 -4.163 3.362 1.00 0.00 H new ATOM 0 HB3 PHE A 465 7.429 -5.842 3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 465 5.119 -6.431 4.323 1.00 0.00 H new ATOM 0 HD2 PHE A 465 6.211 -2.426 3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 465 2.746 -5.836 4.114 1.00 0.00 H new ATOM 0 HE2 PHE A 465 3.838 -1.826 3.162 1.00 0.00 H new ATOM 0 HZ PHE A 465 2.099 -3.530 3.538 1.00 0.00 H new ATOM 295 N SER A 466 9.798 -6.023 4.835 1.00 0.00 N ATOM 296 CA SER A 466 11.229 -6.298 4.777 1.00 0.00 C ATOM 297 C SER A 466 11.859 -5.645 3.550 1.00 0.00 C ATOM 298 O SER A 466 12.862 -4.939 3.655 1.00 0.00 O ATOM 299 CB SER A 466 11.480 -7.807 4.751 1.00 0.00 C ATOM 300 OG SER A 466 12.822 -8.095 4.399 1.00 0.00 O ATOM 0 H SER A 466 9.214 -6.729 4.386 1.00 0.00 H new ATOM 0 HA SER A 466 11.691 -5.876 5.669 1.00 0.00 H new ATOM 0 HB2 SER A 466 11.258 -8.233 5.730 1.00 0.00 H new ATOM 0 HB3 SER A 466 10.804 -8.279 4.038 1.00 0.00 H new ATOM 0 HG SER A 466 12.957 -9.066 4.391 1.00 0.00 H new ATOM 306 N ARG A 467 11.262 -5.886 2.388 1.00 0.00 N ATOM 307 CA ARG A 467 11.764 -5.323 1.140 1.00 0.00 C ATOM 308 C ARG A 467 11.506 -3.820 1.079 1.00 0.00 C ATOM 309 O ARG A 467 10.377 -3.366 1.260 1.00 0.00 O ATOM 310 CB ARG A 467 11.106 -6.013 -0.056 1.00 0.00 C ATOM 311 CG ARG A 467 11.463 -7.485 -0.182 1.00 0.00 C ATOM 312 CD ARG A 467 10.822 -8.111 -1.412 1.00 0.00 C ATOM 313 NE ARG A 467 11.622 -7.896 -2.614 1.00 0.00 N ATOM 314 CZ ARG A 467 11.488 -8.615 -3.724 1.00 0.00 C ATOM 315 NH1 ARG A 467 10.590 -9.589 -3.782 1.00 0.00 N ATOM 316 NH2 ARG A 467 12.253 -8.359 -4.777 1.00 0.00 N ATOM 0 H ARG A 467 10.430 -6.467 2.284 1.00 0.00 H new ATOM 0 HA ARG A 467 12.840 -5.491 1.101 1.00 0.00 H new ATOM 0 HB2 ARG A 467 10.024 -5.916 0.030 1.00 0.00 H new ATOM 0 HB3 ARG A 467 11.401 -5.497 -0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 467 12.546 -7.594 -0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 467 11.136 -8.018 0.711 1.00 0.00 H new ATOM 0 HD2 ARG A 467 10.693 -9.181 -1.249 1.00 0.00 H new ATOM 0 HD3 ARG A 467 9.828 -7.689 -1.558 1.00 0.00 H new ATOM 0 HE ARG A 467 12.322 -7.154 -2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 467 10.000 -9.788 -2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 467 10.489 -10.139 -4.635 1.00 0.00 H new ATOM 0 HH21 ARG A 467 12.944 -7.610 -4.735 1.00 0.00 H new ATOM 0 HH22 ARG A 467 12.150 -8.911 -5.629 1.00 0.00 H new ATOM 330 N ALA A 468 12.562 -3.054 0.823 1.00 0.00 N ATOM 331 CA ALA A 468 12.450 -1.604 0.737 1.00 0.00 C ATOM 332 C ALA A 468 11.475 -1.193 -0.362 1.00 0.00 C ATOM 333 O ALA A 468 10.517 -0.455 -0.131 1.00 0.00 O ATOM 334 CB ALA A 468 13.817 -0.982 0.492 1.00 0.00 C ATOM 0 H ALA A 468 13.504 -3.414 0.672 1.00 0.00 H new ATOM 0 HA ALA A 468 12.062 -1.238 1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 468 13.718 0.102 0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 468 14.486 -1.239 1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 468 14.228 -1.363 -0.443 1.00 0.00 H new ATOM 340 N PRO A 469 11.724 -1.679 -1.587 1.00 0.00 N ATOM 341 CA PRO A 469 10.879 -1.375 -2.746 1.00 0.00 C ATOM 342 C PRO A 469 9.396 -1.559 -2.446 1.00 0.00 C ATOM 343 O PRO A 469 8.568 -0.731 -2.827 1.00 0.00 O ATOM 344 CB PRO A 469 11.342 -2.386 -3.797 1.00 0.00 C ATOM 345 CG PRO A 469 12.747 -2.709 -3.419 1.00 0.00 C ATOM 346 CD PRO A 469 12.849 -2.564 -1.935 1.00 0.00 C ATOM 0 HA PRO A 469 10.978 -0.336 -3.062 1.00 0.00 H new ATOM 0 HB2 PRO A 469 10.715 -3.278 -3.791 1.00 0.00 H new ATOM 0 HB3 PRO A 469 11.289 -1.966 -4.801 1.00 0.00 H new ATOM 0 HG2 PRO A 469 13.005 -3.723 -3.725 1.00 0.00 H new ATOM 0 HG3 PRO A 469 13.444 -2.038 -3.920 1.00 0.00 H new ATOM 0 HD2 PRO A 469 12.769 -3.528 -1.433 1.00 0.00 H new ATOM 0 HD3 PRO A 469 13.805 -2.130 -1.641 1.00 0.00 H new ATOM 354 N CYS A 470 9.066 -2.649 -1.762 1.00 0.00 N ATOM 355 CA CYS A 470 7.681 -2.942 -1.411 1.00 0.00 C ATOM 356 C CYS A 470 7.109 -1.859 -0.503 1.00 0.00 C ATOM 357 O CYS A 470 6.125 -1.202 -0.845 1.00 0.00 O ATOM 358 CB CYS A 470 7.585 -4.305 -0.723 1.00 0.00 C ATOM 359 SG CYS A 470 7.332 -5.689 -1.859 1.00 0.00 S ATOM 0 H CYS A 470 9.739 -3.345 -1.439 1.00 0.00 H new ATOM 0 HA CYS A 470 7.096 -2.965 -2.331 1.00 0.00 H new ATOM 0 HB2 CYS A 470 8.499 -4.478 -0.154 1.00 0.00 H new ATOM 0 HB3 CYS A 470 6.763 -4.282 -0.007 1.00 0.00 H new ATOM 0 HG CYS A 470 7.266 -6.798 -1.184 1.00 0.00 H new ATOM 365 N LEU A 471 7.731 -1.679 0.658 1.00 0.00 N ATOM 366 CA LEU A 471 7.283 -0.676 1.617 1.00 0.00 C ATOM 367 C LEU A 471 7.186 0.699 0.964 1.00 0.00 C ATOM 368 O LEU A 471 6.211 1.425 1.160 1.00 0.00 O ATOM 369 CB LEU A 471 8.239 -0.620 2.810 1.00 0.00 C ATOM 370 CG LEU A 471 7.845 0.329 3.943 1.00 0.00 C ATOM 371 CD1 LEU A 471 6.419 0.055 4.397 1.00 0.00 C ATOM 372 CD2 LEU A 471 8.813 0.198 5.110 1.00 0.00 C ATOM 0 H LEU A 471 8.546 -2.214 0.957 1.00 0.00 H new ATOM 0 HA LEU A 471 6.291 -0.962 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 471 8.334 -1.625 3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 471 9.225 -0.330 2.447 1.00 0.00 H new ATOM 0 HG LEU A 471 7.895 1.352 3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 471 6.156 0.740 5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 471 5.736 0.201 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 471 6.342 -0.972 4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 471 8.517 0.881 5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 471 8.796 -0.826 5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 471 9.821 0.445 4.776 1.00 0.00 H new ATOM 384 N LEU A 472 8.203 1.050 0.184 1.00 0.00 N ATOM 385 CA LEU A 472 8.233 2.337 -0.502 1.00 0.00 C ATOM 386 C LEU A 472 7.030 2.489 -1.428 1.00 0.00 C ATOM 387 O LEU A 472 6.396 3.543 -1.472 1.00 0.00 O ATOM 388 CB LEU A 472 9.528 2.482 -1.302 1.00 0.00 C ATOM 389 CG LEU A 472 10.777 2.847 -0.498 1.00 0.00 C ATOM 390 CD1 LEU A 472 12.017 2.232 -1.128 1.00 0.00 C ATOM 391 CD2 LEU A 472 10.922 4.358 -0.395 1.00 0.00 C ATOM 0 H LEU A 472 9.018 0.461 0.011 1.00 0.00 H new ATOM 0 HA LEU A 472 8.190 3.123 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 472 9.717 1.543 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 472 9.376 3.245 -2.066 1.00 0.00 H new ATOM 0 HG LEU A 472 10.668 2.443 0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 472 12.895 2.503 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 472 11.915 1.147 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 472 12.131 2.605 -2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 472 11.816 4.599 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 472 11.008 4.784 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 472 10.046 4.774 0.103 1.00 0.00 H new ATOM 403 N LYS A 473 6.720 1.428 -2.165 1.00 0.00 N ATOM 404 CA LYS A 473 5.592 1.440 -3.088 1.00 0.00 C ATOM 405 C LYS A 473 4.268 1.449 -2.329 1.00 0.00 C ATOM 406 O LYS A 473 3.292 2.056 -2.771 1.00 0.00 O ATOM 407 CB LYS A 473 5.651 0.223 -4.015 1.00 0.00 C ATOM 408 CG LYS A 473 6.729 0.323 -5.080 1.00 0.00 C ATOM 409 CD LYS A 473 6.925 -1.000 -5.801 1.00 0.00 C ATOM 410 CE LYS A 473 8.323 -1.112 -6.390 1.00 0.00 C ATOM 411 NZ LYS A 473 8.412 -0.473 -7.732 1.00 0.00 N ATOM 0 H LYS A 473 7.235 0.548 -2.141 1.00 0.00 H new ATOM 0 HA LYS A 473 5.655 2.349 -3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 473 5.825 -0.671 -3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 473 4.683 0.099 -4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 473 6.459 1.095 -5.801 1.00 0.00 H new ATOM 0 HG3 LYS A 473 7.668 0.631 -4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 473 6.755 -1.823 -5.107 1.00 0.00 H new ATOM 0 HD3 LYS A 473 6.185 -1.095 -6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 473 9.040 -0.643 -5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 473 8.601 -2.163 -6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 9.380 -0.571 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 7.746 -0.937 -8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 8.172 0.536 -7.653 1.00 0.00 H new ATOM 425 N HIS A 474 4.243 0.775 -1.184 1.00 0.00 N ATOM 426 CA HIS A 474 3.039 0.708 -0.362 1.00 0.00 C ATOM 427 C HIS A 474 2.628 2.098 0.113 1.00 0.00 C ATOM 428 O HIS A 474 1.441 2.416 0.177 1.00 0.00 O ATOM 429 CB HIS A 474 3.268 -0.208 0.840 1.00 0.00 C ATOM 430 CG HIS A 474 2.141 -0.193 1.827 1.00 0.00 C ATOM 431 ND1 HIS A 474 0.940 -0.834 1.607 1.00 0.00 N ATOM 432 CD2 HIS A 474 2.038 0.389 3.044 1.00 0.00 C ATOM 433 CE1 HIS A 474 0.146 -0.646 2.646 1.00 0.00 C ATOM 434 NE2 HIS A 474 0.789 0.093 3.533 1.00 0.00 N ATOM 0 H HIS A 474 5.042 0.268 -0.804 1.00 0.00 H new ATOM 0 HA HIS A 474 2.234 0.299 -0.972 1.00 0.00 H new ATOM 0 HB2 HIS A 474 3.417 -1.228 0.486 1.00 0.00 H new ATOM 0 HB3 HIS A 474 4.186 0.091 1.345 1.00 0.00 H new ATOM 0 HD1 HIS A 474 0.702 -1.370 0.772 1.00 0.00 H new ATOM 0 HD2 HIS A 474 2.797 0.977 3.539 1.00 0.00 H new ATOM 0 HE1 HIS A 474 -0.858 -1.031 2.752 1.00 0.00 H new ATOM 442 N GLU A 475 3.617 2.921 0.446 1.00 0.00 N ATOM 443 CA GLU A 475 3.357 4.277 0.917 1.00 0.00 C ATOM 444 C GLU A 475 2.705 5.117 -0.177 1.00 0.00 C ATOM 445 O GLU A 475 1.947 6.045 0.107 1.00 0.00 O ATOM 446 CB GLU A 475 4.657 4.939 1.377 1.00 0.00 C ATOM 447 CG GLU A 475 5.312 4.240 2.557 1.00 0.00 C ATOM 448 CD GLU A 475 6.758 4.653 2.751 1.00 0.00 C ATOM 449 OE1 GLU A 475 7.020 5.870 2.843 1.00 0.00 O ATOM 450 OE2 GLU A 475 7.627 3.758 2.810 1.00 0.00 O ATOM 0 H GLU A 475 4.605 2.673 0.399 1.00 0.00 H new ATOM 0 HA GLU A 475 2.671 4.215 1.762 1.00 0.00 H new ATOM 0 HB2 GLU A 475 5.359 4.961 0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 475 4.451 5.975 1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 475 4.750 4.463 3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 475 5.263 3.161 2.408 1.00 0.00 H new ATOM 457 N ARG A 476 3.005 4.785 -1.429 1.00 0.00 N ATOM 458 CA ARG A 476 2.450 5.509 -2.566 1.00 0.00 C ATOM 459 C ARG A 476 1.045 5.014 -2.892 1.00 0.00 C ATOM 460 O ARG A 476 0.226 5.753 -3.441 1.00 0.00 O ATOM 461 CB ARG A 476 3.355 5.351 -3.789 1.00 0.00 C ATOM 462 CG ARG A 476 4.797 5.762 -3.537 1.00 0.00 C ATOM 463 CD ARG A 476 4.932 7.272 -3.412 1.00 0.00 C ATOM 464 NE ARG A 476 4.839 7.939 -4.708 1.00 0.00 N ATOM 465 CZ ARG A 476 4.714 9.254 -4.851 1.00 0.00 C ATOM 466 NH1 ARG A 476 4.668 10.038 -3.783 1.00 0.00 N ATOM 467 NH2 ARG A 476 4.635 9.786 -6.064 1.00 0.00 N ATOM 0 H ARG A 476 3.630 4.019 -1.681 1.00 0.00 H new ATOM 0 HA ARG A 476 2.392 6.564 -2.300 1.00 0.00 H new ATOM 0 HB2 ARG A 476 3.334 4.311 -4.114 1.00 0.00 H new ATOM 0 HB3 ARG A 476 2.953 5.949 -4.607 1.00 0.00 H new ATOM 0 HG2 ARG A 476 5.158 5.287 -2.625 1.00 0.00 H new ATOM 0 HG3 ARG A 476 5.426 5.406 -4.353 1.00 0.00 H new ATOM 0 HD2 ARG A 476 4.152 7.652 -2.752 1.00 0.00 H new ATOM 0 HD3 ARG A 476 5.888 7.513 -2.948 1.00 0.00 H new ATOM 0 HE ARG A 476 4.872 7.364 -5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 476 4.729 9.632 -2.849 1.00 0.00 H new ATOM 0 HH12 ARG A 476 4.572 11.047 -3.895 1.00 0.00 H new ATOM 0 HH21 ARG A 476 4.670 9.185 -6.888 1.00 0.00 H new ATOM 0 HH22 ARG A 476 4.539 10.796 -6.173 1.00 0.00 H new ATOM 481 N LEU A 477 0.771 3.759 -2.552 1.00 0.00 N ATOM 482 CA LEU A 477 -0.536 3.164 -2.809 1.00 0.00 C ATOM 483 C LEU A 477 -1.627 3.890 -2.030 1.00 0.00 C ATOM 484 O LEU A 477 -2.709 4.154 -2.556 1.00 0.00 O ATOM 485 CB LEU A 477 -0.525 1.681 -2.434 1.00 0.00 C ATOM 486 CG LEU A 477 0.160 0.742 -3.427 1.00 0.00 C ATOM 487 CD1 LEU A 477 0.277 -0.658 -2.845 1.00 0.00 C ATOM 488 CD2 LEU A 477 -0.600 0.712 -4.745 1.00 0.00 C ATOM 0 H LEU A 477 1.437 3.134 -2.098 1.00 0.00 H new ATOM 0 HA LEU A 477 -0.750 3.261 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -0.034 1.575 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -1.556 1.352 -2.306 1.00 0.00 H new ATOM 0 HG LEU A 477 1.165 1.118 -3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 477 0.767 -1.312 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 477 0.866 -0.623 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -0.718 -1.044 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -0.098 0.038 -5.439 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -1.617 0.361 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -0.630 1.715 -5.170 1.00 0.00 H new ATOM 500 N HIS A 478 -1.336 4.212 -0.773 1.00 0.00 N ATOM 501 CA HIS A 478 -2.293 4.910 0.078 1.00 0.00 C ATOM 502 C HIS A 478 -2.792 6.184 -0.597 1.00 0.00 C ATOM 503 O HIS A 478 -2.056 7.163 -0.720 1.00 0.00 O ATOM 504 CB HIS A 478 -1.654 5.250 1.425 1.00 0.00 C ATOM 505 CG HIS A 478 -1.653 4.107 2.393 1.00 0.00 C ATOM 506 ND1 HIS A 478 -2.740 3.782 3.176 1.00 0.00 N ATOM 507 CD2 HIS A 478 -0.688 3.209 2.700 1.00 0.00 C ATOM 508 CE1 HIS A 478 -2.444 2.735 3.925 1.00 0.00 C ATOM 509 NE2 HIS A 478 -1.204 2.367 3.655 1.00 0.00 N ATOM 0 H HIS A 478 -0.446 4.001 -0.322 1.00 0.00 H new ATOM 0 HA HIS A 478 -3.145 4.250 0.243 1.00 0.00 H new ATOM 0 HB2 HIS A 478 -0.627 5.576 1.259 1.00 0.00 H new ATOM 0 HB3 HIS A 478 -2.187 6.091 1.869 1.00 0.00 H new ATOM 0 HD1 HIS A 478 -3.634 4.274 3.177 1.00 0.00 H new ATOM 0 HD2 HIS A 478 0.303 3.163 2.274 1.00 0.00 H new ATOM 0 HE1 HIS A 478 -3.103 2.261 4.637 1.00 0.00 H new ATOM 517 N SER A 479 -4.048 6.163 -1.034 1.00 0.00 N ATOM 518 CA SER A 479 -4.644 7.314 -1.701 1.00 0.00 C ATOM 519 C SER A 479 -4.894 8.447 -0.711 1.00 0.00 C ATOM 520 O SER A 479 -5.905 8.462 -0.009 1.00 0.00 O ATOM 521 CB SER A 479 -5.957 6.914 -2.378 1.00 0.00 C ATOM 522 OG SER A 479 -5.751 5.869 -3.312 1.00 0.00 O ATOM 0 H SER A 479 -4.672 5.362 -0.938 1.00 0.00 H new ATOM 0 HA SER A 479 -3.944 7.666 -2.459 1.00 0.00 H new ATOM 0 HB2 SER A 479 -6.676 6.595 -1.624 1.00 0.00 H new ATOM 0 HB3 SER A 479 -6.387 7.778 -2.884 1.00 0.00 H new ATOM 0 HG SER A 479 -6.605 5.630 -3.730 1.00 0.00 H new ATOM 528 N GLY A 480 -3.963 9.395 -0.659 1.00 0.00 N ATOM 529 CA GLY A 480 -4.100 10.520 0.249 1.00 0.00 C ATOM 530 C GLY A 480 -3.238 11.699 -0.156 1.00 0.00 C ATOM 531 O GLY A 480 -2.090 11.526 -0.562 1.00 0.00 O ATOM 0 H GLY A 480 -3.117 9.404 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 480 -5.144 10.831 0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 480 -3.829 10.205 1.257 1.00 0.00 H new ATOM 535 N GLU A 481 -3.795 12.902 -0.047 1.00 0.00 N ATOM 536 CA GLU A 481 -3.070 14.114 -0.408 1.00 0.00 C ATOM 537 C GLU A 481 -2.963 15.060 0.785 1.00 0.00 C ATOM 538 O GLU A 481 -3.176 16.265 0.657 1.00 0.00 O ATOM 539 CB GLU A 481 -3.763 14.822 -1.574 1.00 0.00 C ATOM 540 CG GLU A 481 -3.809 13.996 -2.848 1.00 0.00 C ATOM 541 CD GLU A 481 -4.896 12.939 -2.820 1.00 0.00 C ATOM 542 OE1 GLU A 481 -6.084 13.306 -2.938 1.00 0.00 O ATOM 543 OE2 GLU A 481 -4.558 11.745 -2.680 1.00 0.00 O ATOM 0 H GLU A 481 -4.745 13.062 0.288 1.00 0.00 H new ATOM 0 HA GLU A 481 -2.064 13.827 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 481 -4.781 15.077 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 481 -3.246 15.760 -1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 481 -3.972 14.657 -3.699 1.00 0.00 H new ATOM 0 HG3 GLU A 481 -2.843 13.514 -2.999 1.00 0.00 H new ATOM 550 N LYS A 482 -2.632 14.503 1.945 1.00 0.00 N ATOM 551 CA LYS A 482 -2.495 15.294 3.162 1.00 0.00 C ATOM 552 C LYS A 482 -3.780 16.061 3.460 1.00 0.00 C ATOM 553 O LYS A 482 -3.836 17.287 3.368 1.00 0.00 O ATOM 554 CB LYS A 482 -1.325 16.272 3.031 1.00 0.00 C ATOM 555 CG LYS A 482 -0.911 16.904 4.349 1.00 0.00 C ATOM 556 CD LYS A 482 0.131 16.064 5.068 1.00 0.00 C ATOM 557 CE LYS A 482 1.510 16.237 4.449 1.00 0.00 C ATOM 558 NZ LYS A 482 2.258 17.367 5.067 1.00 0.00 N ATOM 0 H LYS A 482 -2.454 13.506 2.068 1.00 0.00 H new ATOM 0 HA LYS A 482 -2.299 14.611 3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 482 -0.470 15.748 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 482 -1.598 17.060 2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 482 -0.512 17.902 4.166 1.00 0.00 H new ATOM 0 HG3 LYS A 482 -1.787 17.023 4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 482 0.165 16.347 6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 482 -0.157 15.013 5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 482 2.080 15.316 4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 482 1.408 16.412 3.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 482 3.192 17.452 4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 482 1.727 18.251 4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 482 2.378 17.189 6.085 1.00 0.00 H new ATOM 572 N PRO A 483 -4.839 15.323 3.827 1.00 0.00 N ATOM 573 CA PRO A 483 -6.142 15.913 4.147 1.00 0.00 C ATOM 574 C PRO A 483 -6.116 16.702 5.452 1.00 0.00 C ATOM 575 O PRO A 483 -6.952 17.577 5.676 1.00 0.00 O ATOM 576 CB PRO A 483 -7.060 14.695 4.277 1.00 0.00 C ATOM 577 CG PRO A 483 -6.152 13.573 4.645 1.00 0.00 C ATOM 578 CD PRO A 483 -4.845 13.856 3.957 1.00 0.00 C ATOM 0 HA PRO A 483 -6.463 16.627 3.389 1.00 0.00 H new ATOM 0 HB2 PRO A 483 -7.822 14.854 5.040 1.00 0.00 H new ATOM 0 HB3 PRO A 483 -7.582 14.491 3.342 1.00 0.00 H new ATOM 0 HG2 PRO A 483 -6.020 13.516 5.725 1.00 0.00 H new ATOM 0 HG3 PRO A 483 -6.563 12.616 4.323 1.00 0.00 H new ATOM 0 HD2 PRO A 483 -3.997 13.501 4.543 1.00 0.00 H new ATOM 0 HD3 PRO A 483 -4.788 13.366 2.985 1.00 0.00 H new ATOM 586 N SER A 484 -5.150 16.387 6.310 1.00 0.00 N ATOM 587 CA SER A 484 -5.018 17.064 7.594 1.00 0.00 C ATOM 588 C SER A 484 -4.096 18.274 7.477 1.00 0.00 C ATOM 589 O SER A 484 -2.999 18.183 6.928 1.00 0.00 O ATOM 590 CB SER A 484 -4.478 16.098 8.651 1.00 0.00 C ATOM 591 OG SER A 484 -5.486 15.199 9.082 1.00 0.00 O ATOM 0 H SER A 484 -4.448 15.667 6.138 1.00 0.00 H new ATOM 0 HA SER A 484 -6.006 17.409 7.898 1.00 0.00 H new ATOM 0 HB2 SER A 484 -3.638 15.538 8.241 1.00 0.00 H new ATOM 0 HB3 SER A 484 -4.100 16.661 9.504 1.00 0.00 H new ATOM 0 HG SER A 484 -5.116 14.591 9.756 1.00 0.00 H new ATOM 597 N GLY A 485 -4.551 19.410 7.999 1.00 0.00 N ATOM 598 CA GLY A 485 -3.756 20.623 7.943 1.00 0.00 C ATOM 599 C GLY A 485 -3.787 21.274 6.575 1.00 0.00 C ATOM 600 O GLY A 485 -4.250 20.688 5.595 1.00 0.00 O ATOM 0 H GLY A 485 -5.456 19.511 8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 485 -4.124 21.330 8.687 1.00 0.00 H new ATOM 0 HA3 GLY A 485 -2.725 20.390 8.208 1.00 0.00 H new ATOM 604 N PRO A 486 -3.286 22.516 6.494 1.00 0.00 N ATOM 605 CA PRO A 486 -3.248 23.274 5.241 1.00 0.00 C ATOM 606 C PRO A 486 -2.245 22.700 4.246 1.00 0.00 C ATOM 607 O PRO A 486 -1.689 21.623 4.462 1.00 0.00 O ATOM 608 CB PRO A 486 -2.818 24.674 5.686 1.00 0.00 C ATOM 609 CG PRO A 486 -2.067 24.454 6.954 1.00 0.00 C ATOM 610 CD PRO A 486 -2.718 23.274 7.621 1.00 0.00 C ATOM 0 HA PRO A 486 -4.207 23.252 4.723 1.00 0.00 H new ATOM 0 HB2 PRO A 486 -2.192 25.154 4.933 1.00 0.00 H new ATOM 0 HB3 PRO A 486 -3.680 25.322 5.844 1.00 0.00 H new ATOM 0 HG2 PRO A 486 -1.014 24.257 6.755 1.00 0.00 H new ATOM 0 HG3 PRO A 486 -2.111 25.337 7.592 1.00 0.00 H new ATOM 0 HD2 PRO A 486 -1.996 22.680 8.181 1.00 0.00 H new ATOM 0 HD3 PRO A 486 -3.489 23.586 8.325 1.00 0.00 H new ATOM 618 N SER A 487 -2.018 23.426 3.156 1.00 0.00 N ATOM 619 CA SER A 487 -1.084 22.986 2.126 1.00 0.00 C ATOM 620 C SER A 487 -0.161 24.127 1.707 1.00 0.00 C ATOM 621 O SER A 487 -0.618 25.171 1.242 1.00 0.00 O ATOM 622 CB SER A 487 -1.845 22.458 0.909 1.00 0.00 C ATOM 623 OG SER A 487 -2.909 21.609 1.302 1.00 0.00 O ATOM 0 H SER A 487 -2.468 24.321 2.963 1.00 0.00 H new ATOM 0 HA SER A 487 -0.476 22.183 2.541 1.00 0.00 H new ATOM 0 HB2 SER A 487 -2.238 23.294 0.331 1.00 0.00 H new ATOM 0 HB3 SER A 487 -1.162 21.913 0.258 1.00 0.00 H new ATOM 0 HG SER A 487 -3.381 21.286 0.506 1.00 0.00 H new ATOM 629 N SER A 488 1.141 23.919 1.876 1.00 0.00 N ATOM 630 CA SER A 488 2.129 24.930 1.520 1.00 0.00 C ATOM 631 C SER A 488 2.956 24.482 0.318 1.00 0.00 C ATOM 632 O SER A 488 4.183 24.428 0.381 1.00 0.00 O ATOM 633 CB SER A 488 3.049 25.216 2.708 1.00 0.00 C ATOM 634 OG SER A 488 3.426 24.016 3.362 1.00 0.00 O ATOM 0 H SER A 488 1.536 23.059 2.257 1.00 0.00 H new ATOM 0 HA SER A 488 1.597 25.844 1.254 1.00 0.00 H new ATOM 0 HB2 SER A 488 3.940 25.742 2.364 1.00 0.00 H new ATOM 0 HB3 SER A 488 2.543 25.875 3.414 1.00 0.00 H new ATOM 0 HG SER A 488 4.015 24.226 4.116 1.00 0.00 H new ATOM 640 N GLY A 489 2.273 24.162 -0.776 1.00 0.00 N ATOM 641 CA GLY A 489 2.959 23.723 -1.977 1.00 0.00 C ATOM 642 C GLY A 489 2.957 24.778 -3.065 1.00 0.00 C ATOM 643 O GLY A 489 3.057 25.963 -2.750 1.00 0.00 O ATOM 0 H GLY A 489 1.257 24.199 -0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 489 3.988 23.463 -1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 489 2.483 22.817 -2.353 1.00 0.00 H new TER 647 GLY A 489 HETATM 648 ZN ZN A 201 0.241 1.645 4.823 1.00 0.00 ZN