USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 597 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 Single : A 398 GLN : amide:sc= 0 X(o=0,f=0.055) USER MOD Single : A 399 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HE2:sc= 0.082 K(o=0.082,f=-0.47) USER MOD Single : A 414 GLN :FLIP amide:sc= -0.0814 F(o=-1.2!,f=-0.081) USER MOD Single : A 419 GLN : amide:sc= -0.165 K(o=-0.16,f=-1.4!) USER MOD Single : A 423 GLN :FLIP amide:sc= -0.0171 F(o=-1.1,f=-0.017) USER MOD Single : A 424 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 MET CE :methyl -156:sc= -1.79 (180deg=-3.29!) USER MOD Single : A 430 ASN : amide:sc= -0.0115 K(o=-0.012,f=-1.2) USER MOD Single : A 433 SER OG : rot 32:sc= -0.142 USER MOD Single : A 435 LYS NZ :NH3+ -170:sc= 1.19 (180deg=0.991) USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 453 TYR OH : rot -159:sc= 0.0832 USER MOD Single : A 455 ASN :FLIP amide:sc= -1.52 F(o=-2.4,f=-1.5) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 460 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 464 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.61) USER MOD Single : A 466 MET CE :methyl -165:sc= 0 (180deg=-0.339) USER MOD Single : A 467 ASN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 470 GLN : amide:sc= -0.486 X(o=-0.49,f=0) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 477 LYS NZ :NH3+ -168:sc= -0.33 (180deg=-0.595) USER MOD Single : A 479 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 481 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0643) USER MOD Single : A 483 SER OG : rot 180:sc= 0.119 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 -2.681 -7.666 7.724 1.00 23.55 N ATOM 57 CA GLN A 398 -1.691 -7.275 6.711 1.00 41.25 C ATOM 58 C GLN A 398 -0.752 -8.457 6.386 1.00 21.13 C ATOM 59 O GLN A 398 -0.153 -9.056 7.289 1.00 21.53 O ATOM 60 CB GLN A 398 -0.843 -6.025 7.168 1.00 4.41 C ATOM 61 CG GLN A 398 -0.197 -6.100 8.592 1.00 74.50 C ATOM 62 CD GLN A 398 -1.066 -5.485 9.698 1.00 52.34 C ATOM 63 OE1 GLN A 398 -1.928 -6.142 10.268 1.00 42.30 O ATOM 64 NE2 GLN A 398 -0.813 -4.225 10.035 1.00 74.25 N ATOM 0 HA GLN A 398 -2.242 -6.995 5.813 1.00 41.25 H new ATOM 0 HB2 GLN A 398 -0.047 -5.869 6.440 1.00 4.41 H new ATOM 0 HB3 GLN A 398 -1.486 -5.145 7.131 1.00 4.41 H new ATOM 0 HG2 GLN A 398 0.002 -7.143 8.836 1.00 74.50 H new ATOM 0 HG3 GLN A 398 0.765 -5.589 8.572 1.00 74.50 H new ATOM 0 HE21 GLN A 398 -0.089 -3.701 9.543 1.00 74.25 H new ATOM 0 HE22 GLN A 398 -1.343 -3.782 10.786 1.00 74.25 H new ATOM 73 N LYS A 399 -0.656 -8.809 5.101 1.00 41.24 N ATOM 74 CA LYS A 399 0.276 -9.858 4.675 1.00 64.13 C ATOM 75 C LYS A 399 1.556 -9.175 4.172 1.00 72.34 C ATOM 76 O LYS A 399 1.574 -8.592 3.081 1.00 13.14 O ATOM 77 CB LYS A 399 -0.370 -10.737 3.556 1.00 21.24 C ATOM 78 CG LYS A 399 -1.092 -12.048 4.001 1.00 54.30 C ATOM 79 CD LYS A 399 -0.139 -13.209 4.400 1.00 24.02 C ATOM 80 CE LYS A 399 0.631 -13.776 3.204 1.00 12.21 C ATOM 81 NZ LYS A 399 1.561 -14.859 3.615 1.00 50.50 N ATOM 0 H LYS A 399 -1.202 -8.391 4.348 1.00 41.24 H new ATOM 0 HA LYS A 399 0.514 -10.519 5.508 1.00 64.13 H new ATOM 0 HB2 LYS A 399 -1.091 -10.121 3.018 1.00 21.24 H new ATOM 0 HB3 LYS A 399 0.412 -11.007 2.846 1.00 21.24 H new ATOM 0 HG2 LYS A 399 -1.740 -11.821 4.847 1.00 54.30 H new ATOM 0 HG3 LYS A 399 -1.735 -12.386 3.189 1.00 54.30 H new ATOM 0 HD2 LYS A 399 0.570 -12.852 5.147 1.00 24.02 H new ATOM 0 HD3 LYS A 399 -0.719 -14.006 4.865 1.00 24.02 H new ATOM 0 HE2 LYS A 399 -0.073 -14.161 2.467 1.00 12.21 H new ATOM 0 HE3 LYS A 399 1.193 -12.977 2.721 1.00 12.21 H new ATOM 0 HZ1 LYS A 399 2.065 -15.219 2.780 1.00 50.50 H new ATOM 0 HZ2 LYS A 399 2.248 -14.485 4.300 1.00 50.50 H new ATOM 0 HZ3 LYS A 399 1.021 -15.632 4.054 1.00 50.50 H new ATOM 95 N GLU A 400 2.623 -9.254 4.983 1.00 72.12 N ATOM 96 CA GLU A 400 3.982 -8.912 4.534 1.00 11.35 C ATOM 97 C GLU A 400 4.507 -10.068 3.622 1.00 43.40 C ATOM 98 O GLU A 400 4.118 -11.224 3.862 1.00 72.34 O ATOM 99 CB GLU A 400 4.908 -8.645 5.799 1.00 14.25 C ATOM 100 CG GLU A 400 5.070 -9.830 6.787 1.00 71.20 C ATOM 101 CD GLU A 400 6.083 -9.549 7.889 1.00 44.01 C ATOM 102 OE1 GLU A 400 7.224 -9.139 7.576 1.00 52.14 O ATOM 103 OE2 GLU A 400 5.744 -9.757 9.077 1.00 5.32 O ATOM 0 H GLU A 400 2.570 -9.553 5.957 1.00 72.12 H new ATOM 0 HA GLU A 400 3.988 -7.995 3.944 1.00 11.35 H new ATOM 0 HB2 GLU A 400 5.897 -8.355 5.445 1.00 14.25 H new ATOM 0 HB3 GLU A 400 4.504 -7.794 6.347 1.00 14.25 H new ATOM 0 HG2 GLU A 400 4.103 -10.055 7.238 1.00 71.20 H new ATOM 0 HG3 GLU A 400 5.379 -10.717 6.234 1.00 71.20 H new ATOM 110 N GLY A 401 5.242 -9.763 2.491 1.00 13.22 N ATOM 111 CA GLY A 401 6.071 -10.761 1.817 1.00 71.25 C ATOM 112 C GLY A 401 6.808 -11.768 2.737 1.00 45.25 C ATOM 113 O GLY A 401 7.292 -11.362 3.803 1.00 24.54 O ATOM 0 H GLY A 401 5.258 -8.841 2.056 1.00 13.22 H new ATOM 0 HA2 GLY A 401 5.440 -11.323 1.129 1.00 71.25 H new ATOM 0 HA3 GLY A 401 6.814 -10.239 1.214 1.00 71.25 H new ATOM 117 N PRO A 402 6.961 -13.085 2.349 1.00 72.40 N ATOM 118 CA PRO A 402 7.671 -14.059 3.180 1.00 72.12 C ATOM 119 C PRO A 402 9.196 -13.851 3.154 1.00 22.44 C ATOM 120 O PRO A 402 9.693 -12.932 2.476 1.00 22.54 O ATOM 121 CB PRO A 402 7.302 -15.428 2.577 1.00 53.43 C ATOM 122 CG PRO A 402 6.886 -15.174 1.169 1.00 13.15 C ATOM 123 CD PRO A 402 6.517 -13.710 1.072 1.00 60.33 C ATOM 0 HA PRO A 402 7.385 -13.964 4.228 1.00 72.12 H new ATOM 0 HB2 PRO A 402 8.152 -16.109 2.613 1.00 53.43 H new ATOM 0 HB3 PRO A 402 6.495 -15.895 3.141 1.00 53.43 H new ATOM 0 HG2 PRO A 402 7.695 -15.414 0.479 1.00 13.15 H new ATOM 0 HG3 PRO A 402 6.039 -15.804 0.898 1.00 13.15 H new ATOM 0 HD2 PRO A 402 7.006 -13.241 0.218 1.00 60.33 H new ATOM 0 HD3 PRO A 402 5.443 -13.588 0.931 1.00 60.33 H new ATOM 131 N GLU A 403 9.899 -14.657 3.976 1.00 65.44 N ATOM 132 CA GLU A 403 11.369 -14.819 3.950 1.00 15.15 C ATOM 133 C GLU A 403 12.030 -14.593 2.526 1.00 74.31 C ATOM 134 O GLU A 403 11.866 -15.430 1.629 1.00 12.12 O ATOM 135 CB GLU A 403 11.575 -16.299 4.378 1.00 65.41 C ATOM 136 CG GLU A 403 11.818 -16.441 5.866 1.00 73.51 C ATOM 137 CD GLU A 403 11.438 -17.798 6.419 1.00 13.31 C ATOM 138 OE1 GLU A 403 12.229 -18.746 6.275 1.00 71.42 O ATOM 139 OE2 GLU A 403 10.352 -17.904 7.034 1.00 73.21 O ATOM 0 H GLU A 403 9.451 -15.227 4.693 1.00 65.44 H new ATOM 0 HA GLU A 403 11.841 -14.076 4.592 1.00 15.15 H new ATOM 0 HB2 GLU A 403 10.696 -16.881 4.099 1.00 65.41 H new ATOM 0 HB3 GLU A 403 12.421 -16.718 3.833 1.00 65.41 H new ATOM 0 HG2 GLU A 403 12.872 -16.257 6.072 1.00 73.51 H new ATOM 0 HG3 GLU A 403 11.252 -15.673 6.392 1.00 73.51 H new ATOM 146 N GLY A 404 12.768 -13.441 2.326 1.00 43.41 N ATOM 147 CA GLY A 404 13.700 -13.291 1.205 1.00 63.13 C ATOM 148 C GLY A 404 13.291 -12.240 0.192 1.00 3.12 C ATOM 149 O GLY A 404 14.179 -11.658 -0.443 1.00 73.15 O ATOM 0 H GLY A 404 12.717 -12.625 2.936 1.00 43.41 H new ATOM 0 HA2 GLY A 404 14.685 -13.037 1.598 1.00 63.13 H new ATOM 0 HA3 GLY A 404 13.797 -14.251 0.697 1.00 63.13 H new ATOM 153 N ALA A 405 11.994 -11.977 -0.012 1.00 40.00 N ATOM 154 CA ALA A 405 11.634 -10.811 -0.797 1.00 43.55 C ATOM 155 C ALA A 405 10.671 -9.949 -0.027 1.00 34.42 C ATOM 156 O ALA A 405 9.643 -10.438 0.454 1.00 63.14 O ATOM 157 CB ALA A 405 11.088 -11.169 -2.180 1.00 43.33 C ATOM 0 H ALA A 405 11.215 -12.533 0.341 1.00 40.00 H new ATOM 0 HA ALA A 405 12.547 -10.244 -0.978 1.00 43.55 H new ATOM 0 HB1 ALA A 405 10.836 -10.256 -2.719 1.00 43.33 H new ATOM 0 HB2 ALA A 405 11.843 -11.723 -2.737 1.00 43.33 H new ATOM 0 HB3 ALA A 405 10.194 -11.783 -2.070 1.00 43.33 H new ATOM 163 N ASN A 406 11.007 -8.683 0.094 1.00 5.20 N ATOM 164 CA ASN A 406 10.084 -7.701 0.618 1.00 61.15 C ATOM 165 C ASN A 406 10.181 -6.477 -0.292 1.00 41.11 C ATOM 166 O ASN A 406 11.198 -5.780 -0.248 1.00 42.20 O ATOM 167 CB ASN A 406 10.415 -7.428 2.099 1.00 15.44 C ATOM 168 CG ASN A 406 9.156 -7.380 2.931 1.00 55.10 C ATOM 169 OD1 ASN A 406 8.466 -6.359 2.979 1.00 34.13 O ATOM 170 ND2 ASN A 406 8.910 -8.462 3.666 1.00 0.31 N ATOM 0 H ASN A 406 11.919 -8.308 -0.166 1.00 5.20 H new ATOM 0 HA ASN A 406 9.048 -8.039 0.615 1.00 61.15 H new ATOM 0 HB2 ASN A 406 11.077 -8.207 2.478 1.00 15.44 H new ATOM 0 HB3 ASN A 406 10.951 -6.483 2.188 1.00 15.44 H new ATOM 0 HD21 ASN A 406 8.118 -8.473 4.308 1.00 0.31 H new ATOM 0 HD22 ASN A 406 9.514 -9.280 3.587 1.00 0.31 H new ATOM 177 N LEU A 407 9.157 -6.211 -1.144 1.00 61.24 N ATOM 178 CA LEU A 407 9.340 -5.273 -2.246 1.00 64.34 C ATOM 179 C LEU A 407 8.653 -3.987 -1.760 1.00 43.44 C ATOM 180 O LEU A 407 7.431 -3.990 -1.677 1.00 5.40 O ATOM 181 CB LEU A 407 8.666 -5.904 -3.572 1.00 54.03 C ATOM 182 CG LEU A 407 9.274 -7.191 -4.228 1.00 51.51 C ATOM 183 CD1 LEU A 407 9.127 -8.453 -3.381 1.00 74.24 C ATOM 184 CD2 LEU A 407 8.605 -7.473 -5.565 1.00 10.32 C ATOM 0 H LEU A 407 8.228 -6.627 -1.081 1.00 61.24 H new ATOM 0 HA LEU A 407 10.377 -5.067 -2.509 1.00 64.34 H new ATOM 0 HB2 LEU A 407 7.626 -6.124 -3.333 1.00 54.03 H new ATOM 0 HB3 LEU A 407 8.660 -5.125 -4.334 1.00 54.03 H new ATOM 0 HG LEU A 407 10.336 -6.972 -4.337 1.00 51.51 H new ATOM 0 HD11 LEU A 407 9.573 -9.298 -3.906 1.00 74.24 H new ATOM 0 HD12 LEU A 407 9.633 -8.311 -2.426 1.00 74.24 H new ATOM 0 HD13 LEU A 407 8.070 -8.652 -3.205 1.00 74.24 H new ATOM 0 HD21 LEU A 407 9.039 -8.370 -6.007 1.00 10.32 H new ATOM 0 HD22 LEU A 407 7.536 -7.624 -5.412 1.00 10.32 H new ATOM 0 HD23 LEU A 407 8.760 -6.627 -6.235 1.00 10.32 H new ATOM 196 N PHE A 408 9.369 -2.867 -1.377 1.00 31.41 N ATOM 197 CA PHE A 408 8.549 -1.737 -0.888 1.00 4.34 C ATOM 198 C PHE A 408 8.352 -0.665 -1.970 1.00 51.13 C ATOM 199 O PHE A 408 9.273 0.110 -2.208 1.00 22.20 O ATOM 200 CB PHE A 408 9.150 -1.027 0.348 1.00 72.54 C ATOM 201 CG PHE A 408 9.604 -1.861 1.527 1.00 61.02 C ATOM 202 CD1 PHE A 408 10.832 -2.510 1.512 1.00 34.51 C ATOM 203 CD2 PHE A 408 8.838 -1.932 2.678 1.00 11.03 C ATOM 204 CE1 PHE A 408 11.269 -3.222 2.611 1.00 13.41 C ATOM 205 CE2 PHE A 408 9.275 -2.630 3.783 1.00 71.11 C ATOM 206 CZ PHE A 408 10.492 -3.279 3.753 1.00 31.43 C ATOM 0 H PHE A 408 10.381 -2.742 -1.396 1.00 31.41 H new ATOM 0 HA PHE A 408 7.599 -2.195 -0.613 1.00 4.34 H new ATOM 0 HB2 PHE A 408 10.006 -0.444 0.008 1.00 72.54 H new ATOM 0 HB3 PHE A 408 8.407 -0.318 0.713 1.00 72.54 H new ATOM 0 HD1 PHE A 408 11.453 -2.457 0.630 1.00 34.51 H new ATOM 0 HD2 PHE A 408 7.881 -1.432 2.711 1.00 11.03 H new ATOM 0 HE1 PHE A 408 12.219 -3.735 2.579 1.00 13.41 H new ATOM 0 HE2 PHE A 408 8.664 -2.669 4.673 1.00 71.11 H new ATOM 0 HZ PHE A 408 10.836 -3.829 4.617 1.00 31.43 H new ATOM 216 N ILE A 409 7.129 -0.531 -2.557 1.00 21.02 N ATOM 217 CA ILE A 409 6.958 0.413 -3.690 1.00 63.32 C ATOM 218 C ILE A 409 6.259 1.692 -3.260 1.00 0.15 C ATOM 219 O ILE A 409 5.123 1.686 -2.790 1.00 63.21 O ATOM 220 CB ILE A 409 6.281 -0.245 -4.955 1.00 10.12 C ATOM 221 CG1 ILE A 409 5.739 -1.685 -4.712 1.00 15.14 C ATOM 222 CG2 ILE A 409 7.298 -0.285 -6.089 1.00 52.41 C ATOM 223 CD1 ILE A 409 4.219 -1.812 -4.777 1.00 65.14 C ATOM 0 H ILE A 409 6.288 -1.038 -2.280 1.00 21.02 H new ATOM 0 HA ILE A 409 7.964 0.687 -4.008 1.00 63.32 H new ATOM 0 HB ILE A 409 5.417 0.372 -5.201 1.00 10.12 H new ATOM 0 HG12 ILE A 409 6.178 -2.354 -5.452 1.00 15.14 H new ATOM 0 HG13 ILE A 409 6.077 -2.026 -3.734 1.00 15.14 H new ATOM 0 HG21 ILE A 409 6.843 -0.738 -6.970 1.00 52.41 H new ATOM 0 HG22 ILE A 409 7.618 0.729 -6.327 1.00 52.41 H new ATOM 0 HG23 ILE A 409 8.161 -0.875 -5.783 1.00 52.41 H new ATOM 0 HD11 ILE A 409 3.932 -2.848 -4.596 1.00 65.14 H new ATOM 0 HD12 ILE A 409 3.768 -1.173 -4.018 1.00 65.14 H new ATOM 0 HD13 ILE A 409 3.870 -1.506 -5.763 1.00 65.14 H new ATOM 235 N TYR A 410 6.993 2.801 -3.452 1.00 64.22 N ATOM 236 CA TYR A 410 6.641 4.096 -2.868 1.00 15.11 C ATOM 237 C TYR A 410 6.998 5.211 -3.870 1.00 11.21 C ATOM 238 O TYR A 410 7.676 4.903 -4.860 1.00 41.44 O ATOM 239 CB TYR A 410 7.365 4.282 -1.490 1.00 41.03 C ATOM 240 CG TYR A 410 8.911 4.334 -1.485 1.00 22.45 C ATOM 241 CD1 TYR A 410 9.611 5.477 -1.870 1.00 63.40 C ATOM 242 CD2 TYR A 410 9.667 3.229 -1.074 1.00 11.15 C ATOM 243 CE1 TYR A 410 10.997 5.520 -1.854 1.00 61.34 C ATOM 244 CE2 TYR A 410 11.053 3.269 -1.059 1.00 31.41 C ATOM 245 CZ TYR A 410 11.707 4.413 -1.452 1.00 11.55 C ATOM 246 OH TYR A 410 13.084 4.443 -1.438 1.00 22.42 O ATOM 0 H TYR A 410 7.843 2.820 -4.015 1.00 64.22 H new ATOM 0 HA TYR A 410 5.570 4.145 -2.673 1.00 15.11 H new ATOM 0 HB2 TYR A 410 6.998 5.205 -1.042 1.00 41.03 H new ATOM 0 HB3 TYR A 410 7.056 3.466 -0.837 1.00 41.03 H new ATOM 0 HD1 TYR A 410 9.060 6.350 -2.188 1.00 63.40 H new ATOM 0 HD2 TYR A 410 9.160 2.328 -0.762 1.00 11.15 H new ATOM 0 HE1 TYR A 410 11.516 6.418 -2.156 1.00 61.34 H new ATOM 0 HE2 TYR A 410 11.617 2.405 -0.740 1.00 31.41 H new ATOM 0 HH TYR A 410 13.427 3.579 -1.127 1.00 22.42 H new ATOM 256 N HIS A 411 6.553 6.499 -3.625 1.00 31.41 N ATOM 257 CA HIS A 411 6.859 7.647 -4.520 1.00 51.24 C ATOM 258 C HIS A 411 6.250 7.455 -5.937 1.00 52.12 C ATOM 259 O HIS A 411 6.799 7.969 -6.920 1.00 63.44 O ATOM 260 CB HIS A 411 8.391 7.913 -4.609 1.00 21.23 C ATOM 261 CG HIS A 411 8.887 9.069 -3.769 1.00 1.21 C ATOM 262 ND1 HIS A 411 9.744 8.894 -2.700 1.00 61.30 N ATOM 263 CD2 HIS A 411 8.673 10.415 -3.853 1.00 33.11 C ATOM 264 CE1 HIS A 411 10.030 10.066 -2.164 1.00 45.10 C ATOM 265 NE2 HIS A 411 9.394 10.999 -2.841 1.00 64.02 N ATOM 0 H HIS A 411 5.986 6.750 -2.815 1.00 31.41 H new ATOM 0 HA HIS A 411 6.391 8.525 -4.075 1.00 51.24 H new ATOM 0 HB2 HIS A 411 8.920 7.009 -4.306 1.00 21.23 H new ATOM 0 HB3 HIS A 411 8.652 8.101 -5.650 1.00 21.23 H new ATOM 0 HD1 HIS A 411 10.101 7.996 -2.374 1.00 61.30 H new ATOM 0 HD2 HIS A 411 8.054 10.923 -4.578 1.00 33.11 H new ATOM 0 HE1 HIS A 411 10.676 10.231 -1.314 1.00 45.10 H new ATOM 274 N LEU A 412 5.099 6.719 -6.015 1.00 52.02 N ATOM 275 CA LEU A 412 4.356 6.478 -7.281 1.00 73.22 C ATOM 276 C LEU A 412 3.944 7.772 -8.007 1.00 60.14 C ATOM 277 O LEU A 412 3.635 8.793 -7.382 1.00 62.13 O ATOM 278 CB LEU A 412 3.067 5.610 -7.031 1.00 2.23 C ATOM 279 CG LEU A 412 2.080 6.099 -5.923 1.00 11.51 C ATOM 280 CD1 LEU A 412 1.039 7.147 -6.351 1.00 35.55 C ATOM 281 CD2 LEU A 412 1.340 4.949 -5.263 1.00 35.41 C ATOM 0 H LEU A 412 4.667 6.280 -5.202 1.00 52.02 H new ATOM 0 HA LEU A 412 5.055 5.941 -7.922 1.00 73.22 H new ATOM 0 HB2 LEU A 412 2.516 5.545 -7.969 1.00 2.23 H new ATOM 0 HB3 LEU A 412 3.385 4.599 -6.778 1.00 2.23 H new ATOM 0 HG LEU A 412 2.755 6.592 -5.223 1.00 11.51 H new ATOM 0 HD11 LEU A 412 0.413 7.407 -5.498 1.00 35.55 H new ATOM 0 HD12 LEU A 412 1.549 8.040 -6.712 1.00 35.55 H new ATOM 0 HD13 LEU A 412 0.416 6.738 -7.147 1.00 35.55 H new ATOM 0 HD21 LEU A 412 0.666 5.340 -4.500 1.00 35.41 H new ATOM 0 HD22 LEU A 412 0.764 4.409 -6.014 1.00 35.41 H new ATOM 0 HD23 LEU A 412 2.058 4.272 -4.800 1.00 35.41 H new ATOM 293 N PRO A 413 4.024 7.734 -9.356 1.00 31.21 N ATOM 294 CA PRO A 413 3.464 8.749 -10.280 1.00 24.21 C ATOM 295 C PRO A 413 1.924 8.701 -10.345 1.00 43.31 C ATOM 296 O PRO A 413 1.315 7.754 -9.860 1.00 12.23 O ATOM 297 CB PRO A 413 4.124 8.361 -11.611 1.00 33.11 C ATOM 298 CG PRO A 413 4.253 6.897 -11.493 1.00 52.42 C ATOM 299 CD PRO A 413 4.750 6.698 -10.111 1.00 33.04 C ATOM 0 HA PRO A 413 3.667 9.776 -9.977 1.00 24.21 H new ATOM 0 HB2 PRO A 413 3.510 8.646 -12.466 1.00 33.11 H new ATOM 0 HB3 PRO A 413 5.093 8.844 -11.739 1.00 33.11 H new ATOM 0 HG2 PRO A 413 3.297 6.397 -11.651 1.00 52.42 H new ATOM 0 HG3 PRO A 413 4.948 6.496 -12.230 1.00 52.42 H new ATOM 0 HD2 PRO A 413 4.529 5.697 -9.741 1.00 33.04 H new ATOM 0 HD3 PRO A 413 5.830 6.831 -10.046 1.00 33.04 H new ATOM 307 N GLN A 414 1.323 9.765 -10.908 1.00 44.45 N ATOM 308 CA GLN A 414 -0.158 9.996 -10.903 1.00 41.42 C ATOM 309 C GLN A 414 -1.015 8.827 -11.532 1.00 50.15 C ATOM 310 O GLN A 414 -2.169 8.662 -11.132 1.00 31.42 O ATOM 311 CB GLN A 414 -0.475 11.416 -11.549 1.00 73.52 C ATOM 312 CG GLN A 414 -1.474 11.458 -12.748 1.00 74.43 C ATOM 313 CD GLN A 414 -0.834 11.125 -14.096 1.00 3.22 C ATOM 314 OE1 GLN A 414 0.410 11.544 -14.308 1.00 1.32 O flip ATOM 315 NE2 GLN A 414 -1.472 10.529 -14.955 1.00 60.03 N flip ATOM 0 H GLN A 414 1.843 10.501 -11.386 1.00 44.45 H new ATOM 0 HA GLN A 414 -0.476 9.999 -9.861 1.00 41.42 H new ATOM 0 HB2 GLN A 414 -0.866 12.063 -10.763 1.00 73.52 H new ATOM 0 HB3 GLN A 414 0.467 11.852 -11.881 1.00 73.52 H new ATOM 0 HG2 GLN A 414 -2.285 10.755 -12.558 1.00 74.43 H new ATOM 0 HG3 GLN A 414 -1.919 12.451 -12.803 1.00 74.43 H new ATOM 0 HE21 GLN A 414 -2.425 10.221 -14.761 1.00 60.03 H new ATOM 0 HE22 GLN A 414 -1.051 10.341 -15.865 1.00 60.03 H new ATOM 324 N GLU A 415 -0.463 8.027 -12.494 1.00 54.44 N ATOM 325 CA GLU A 415 -1.228 6.878 -13.075 1.00 50.35 C ATOM 326 C GLU A 415 -0.996 5.563 -12.261 1.00 21.50 C ATOM 327 O GLU A 415 -1.775 4.619 -12.386 1.00 3.43 O ATOM 328 CB GLU A 415 -0.894 6.685 -14.580 1.00 64.01 C ATOM 329 CG GLU A 415 -2.118 6.425 -15.499 1.00 2.03 C ATOM 330 CD GLU A 415 -1.706 5.970 -16.890 1.00 60.32 C ATOM 331 OE1 GLU A 415 -1.482 4.753 -17.079 1.00 63.33 O ATOM 332 OE2 GLU A 415 -1.615 6.828 -17.797 1.00 64.43 O ATOM 0 H GLU A 415 0.476 8.149 -12.873 1.00 54.44 H new ATOM 0 HA GLU A 415 -2.289 7.118 -13.002 1.00 50.35 H new ATOM 0 HB2 GLU A 415 -0.373 7.573 -14.937 1.00 64.01 H new ATOM 0 HB3 GLU A 415 -0.202 5.849 -14.678 1.00 64.01 H new ATOM 0 HG2 GLU A 415 -2.756 5.667 -15.045 1.00 2.03 H new ATOM 0 HG3 GLU A 415 -2.711 7.336 -15.578 1.00 2.03 H new ATOM 339 N PHE A 416 0.070 5.515 -11.428 1.00 55.12 N ATOM 340 CA PHE A 416 0.230 4.415 -10.404 1.00 41.04 C ATOM 341 C PHE A 416 -0.495 4.796 -9.063 1.00 50.31 C ATOM 342 O PHE A 416 -0.775 5.968 -8.816 1.00 54.22 O ATOM 343 CB PHE A 416 1.724 3.944 -10.152 1.00 12.14 C ATOM 344 CG PHE A 416 2.382 2.993 -11.155 1.00 44.22 C ATOM 345 CD1 PHE A 416 1.833 2.644 -12.399 1.00 62.02 C ATOM 346 CD2 PHE A 416 3.606 2.415 -10.798 1.00 53.01 C ATOM 347 CE1 PHE A 416 2.496 1.745 -13.238 1.00 20.23 C ATOM 348 CE2 PHE A 416 4.251 1.530 -11.627 1.00 51.23 C ATOM 349 CZ PHE A 416 3.705 1.205 -12.851 1.00 61.43 C ATOM 0 H PHE A 416 0.825 6.201 -11.430 1.00 55.12 H new ATOM 0 HA PHE A 416 -0.256 3.541 -10.838 1.00 41.04 H new ATOM 0 HB2 PHE A 416 2.345 4.838 -10.090 1.00 12.14 H new ATOM 0 HB3 PHE A 416 1.757 3.465 -9.174 1.00 12.14 H new ATOM 0 HD1 PHE A 416 0.892 3.073 -12.709 1.00 62.02 H new ATOM 0 HD2 PHE A 416 4.053 2.671 -9.849 1.00 53.01 H new ATOM 0 HE1 PHE A 416 2.062 1.473 -14.189 1.00 20.23 H new ATOM 0 HE2 PHE A 416 5.187 1.088 -11.320 1.00 51.23 H new ATOM 0 HZ PHE A 416 4.226 0.525 -13.509 1.00 61.43 H new ATOM 359 N GLY A 417 -0.831 3.776 -8.233 1.00 54.33 N ATOM 360 CA GLY A 417 -1.885 3.877 -7.175 1.00 15.12 C ATOM 361 C GLY A 417 -2.233 2.453 -6.660 1.00 4.12 C ATOM 362 O GLY A 417 -1.664 1.512 -7.207 1.00 30.51 O ATOM 0 H GLY A 417 -0.384 2.860 -8.273 1.00 54.33 H new ATOM 0 HA2 GLY A 417 -1.532 4.498 -6.352 1.00 15.12 H new ATOM 0 HA3 GLY A 417 -2.776 4.358 -7.578 1.00 15.12 H new ATOM 366 N ASP A 418 -3.137 2.229 -5.638 1.00 5.45 N ATOM 367 CA ASP A 418 -3.143 0.881 -4.979 1.00 32.32 C ATOM 368 C ASP A 418 -3.968 -0.233 -5.662 1.00 74.14 C ATOM 369 O ASP A 418 -3.475 -1.371 -5.694 1.00 34.50 O ATOM 370 CB ASP A 418 -3.441 0.856 -3.459 1.00 53.42 C ATOM 371 CG ASP A 418 -4.771 1.487 -3.052 1.00 72.24 C ATOM 372 OD1 ASP A 418 -4.878 2.734 -3.033 1.00 62.11 O ATOM 373 OD2 ASP A 418 -5.702 0.720 -2.726 1.00 64.24 O ATOM 0 H ASP A 418 -3.813 2.905 -5.282 1.00 5.45 H new ATOM 0 HA ASP A 418 -2.089 0.645 -5.125 1.00 32.32 H new ATOM 0 HB2 ASP A 418 -3.428 -0.179 -3.118 1.00 53.42 H new ATOM 0 HB3 ASP A 418 -2.636 1.373 -2.937 1.00 53.42 H new ATOM 378 N GLN A 419 -5.218 0.026 -6.151 1.00 31.11 N ATOM 379 CA GLN A 419 -5.976 -0.991 -6.877 1.00 54.14 C ATOM 380 C GLN A 419 -5.241 -1.355 -8.211 1.00 32.34 C ATOM 381 O GLN A 419 -5.240 -2.521 -8.650 1.00 60.04 O ATOM 382 CB GLN A 419 -7.480 -0.579 -7.052 1.00 11.11 C ATOM 383 CG GLN A 419 -8.302 -1.514 -7.948 1.00 73.51 C ATOM 384 CD GLN A 419 -8.381 -1.018 -9.379 1.00 32.41 C ATOM 385 OE1 GLN A 419 -8.383 0.184 -9.636 1.00 13.21 O ATOM 386 NE2 GLN A 419 -8.424 -1.939 -10.319 1.00 15.54 N ATOM 0 H GLN A 419 -5.698 0.920 -6.048 1.00 31.11 H new ATOM 0 HA GLN A 419 -6.013 -1.907 -6.288 1.00 54.14 H new ATOM 0 HB2 GLN A 419 -7.948 -0.537 -6.068 1.00 11.11 H new ATOM 0 HB3 GLN A 419 -7.521 0.428 -7.467 1.00 11.11 H new ATOM 0 HG2 GLN A 419 -7.858 -2.509 -7.935 1.00 73.51 H new ATOM 0 HG3 GLN A 419 -9.309 -1.609 -7.543 1.00 73.51 H new ATOM 0 HE21 GLN A 419 -8.421 -2.927 -10.065 1.00 15.54 H new ATOM 0 HE22 GLN A 419 -8.461 -1.664 -11.301 1.00 15.54 H new ATOM 395 N ASP A 420 -4.551 -0.339 -8.776 1.00 61.32 N ATOM 396 CA ASP A 420 -3.753 -0.444 -10.001 1.00 24.45 C ATOM 397 C ASP A 420 -2.306 -0.983 -9.762 1.00 51.31 C ATOM 398 O ASP A 420 -1.561 -1.131 -10.735 1.00 61.01 O ATOM 399 CB ASP A 420 -3.661 0.895 -10.780 1.00 2.10 C ATOM 400 CG ASP A 420 -4.508 2.057 -10.218 1.00 34.13 C ATOM 401 OD1 ASP A 420 -4.033 2.789 -9.317 1.00 62.32 O ATOM 402 OD2 ASP A 420 -5.650 2.256 -10.694 1.00 13.22 O ATOM 0 H ASP A 420 -4.539 0.599 -8.375 1.00 61.32 H new ATOM 0 HA ASP A 420 -4.298 -1.172 -10.602 1.00 24.45 H new ATOM 0 HB2 ASP A 420 -2.617 1.209 -10.804 1.00 2.10 H new ATOM 0 HB3 ASP A 420 -3.964 0.715 -11.812 1.00 2.10 H new ATOM 407 N ILE A 421 -1.865 -1.205 -8.486 1.00 31.43 N ATOM 408 CA ILE A 421 -0.461 -1.662 -8.191 1.00 10.12 C ATOM 409 C ILE A 421 -0.263 -3.117 -8.697 1.00 2.21 C ATOM 410 O ILE A 421 0.844 -3.539 -9.048 1.00 22.13 O ATOM 411 CB ILE A 421 -0.094 -1.480 -6.635 1.00 5.41 C ATOM 412 CG1 ILE A 421 0.969 -0.335 -6.435 1.00 72.55 C ATOM 413 CG2 ILE A 421 0.413 -2.783 -5.951 1.00 52.43 C ATOM 414 CD1 ILE A 421 0.860 0.441 -5.099 1.00 52.54 C ATOM 0 H ILE A 421 -2.446 -1.079 -7.657 1.00 31.43 H new ATOM 0 HA ILE A 421 0.241 -1.029 -8.733 1.00 10.12 H new ATOM 0 HB ILE A 421 -1.031 -1.209 -6.149 1.00 5.41 H new ATOM 0 HG12 ILE A 421 1.966 -0.771 -6.503 1.00 72.55 H new ATOM 0 HG13 ILE A 421 0.874 0.374 -7.257 1.00 72.55 H new ATOM 0 HG21 ILE A 421 0.640 -2.580 -4.904 1.00 52.43 H new ATOM 0 HG22 ILE A 421 -0.359 -3.550 -6.013 1.00 52.43 H new ATOM 0 HG23 ILE A 421 1.313 -3.132 -6.456 1.00 52.43 H new ATOM 0 HD11 ILE A 421 1.635 1.206 -5.059 1.00 52.54 H new ATOM 0 HD12 ILE A 421 -0.120 0.913 -5.031 1.00 52.54 H new ATOM 0 HD13 ILE A 421 0.988 -0.250 -4.266 1.00 52.54 H new ATOM 426 N LEU A 422 -1.385 -3.821 -8.801 1.00 53.32 N ATOM 427 CA LEU A 422 -1.461 -5.161 -9.306 1.00 34.31 C ATOM 428 C LEU A 422 -1.414 -5.130 -10.882 1.00 51.31 C ATOM 429 O LEU A 422 -1.038 -6.138 -11.489 1.00 5.40 O ATOM 430 CB LEU A 422 -2.728 -5.869 -8.627 1.00 44.21 C ATOM 431 CG LEU A 422 -3.436 -7.079 -9.283 1.00 52.33 C ATOM 432 CD1 LEU A 422 -4.446 -7.651 -8.306 1.00 44.31 C ATOM 433 CD2 LEU A 422 -4.193 -6.755 -10.578 1.00 62.30 C ATOM 0 H LEU A 422 -2.292 -3.448 -8.522 1.00 53.32 H new ATOM 0 HA LEU A 422 -0.605 -5.780 -9.036 1.00 34.31 H new ATOM 0 HB2 LEU A 422 -2.415 -6.188 -7.633 1.00 44.21 H new ATOM 0 HB3 LEU A 422 -3.485 -5.097 -8.491 1.00 44.21 H new ATOM 0 HG LEU A 422 -2.639 -7.778 -9.537 1.00 52.33 H new ATOM 0 HD11 LEU A 422 -4.949 -8.504 -8.761 1.00 44.31 H new ATOM 0 HD12 LEU A 422 -3.933 -7.973 -7.400 1.00 44.31 H new ATOM 0 HD13 LEU A 422 -5.182 -6.887 -8.055 1.00 44.31 H new ATOM 0 HD21 LEU A 422 -4.657 -7.662 -10.965 1.00 62.30 H new ATOM 0 HD22 LEU A 422 -4.964 -6.013 -10.373 1.00 62.30 H new ATOM 0 HD23 LEU A 422 -3.497 -6.359 -11.317 1.00 62.30 H new ATOM 445 N GLN A 423 -1.734 -3.948 -11.545 1.00 22.01 N ATOM 446 CA GLN A 423 -1.872 -3.876 -13.024 1.00 63.45 C ATOM 447 C GLN A 423 -0.548 -4.083 -13.776 1.00 4.11 C ATOM 448 O GLN A 423 -0.530 -4.827 -14.756 1.00 3.34 O ATOM 449 CB GLN A 423 -2.580 -2.589 -13.556 1.00 30.45 C ATOM 450 CG GLN A 423 -4.118 -2.554 -13.323 1.00 0.41 C ATOM 451 CD GLN A 423 -4.811 -1.408 -14.045 1.00 11.43 C ATOM 452 OE1 GLN A 423 -4.289 -0.998 -15.187 1.00 14.43 O flip ATOM 453 NE2 GLN A 423 -5.821 -0.890 -13.572 1.00 1.11 N flip ATOM 0 H GLN A 423 -1.894 -3.060 -11.069 1.00 22.01 H new ATOM 0 HA GLN A 423 -2.530 -4.717 -13.240 1.00 63.45 H new ATOM 0 HB2 GLN A 423 -2.133 -1.719 -13.075 1.00 30.45 H new ATOM 0 HB3 GLN A 423 -2.385 -2.498 -14.625 1.00 30.45 H new ATOM 0 HG2 GLN A 423 -4.550 -3.498 -13.655 1.00 0.41 H new ATOM 0 HG3 GLN A 423 -4.315 -2.472 -12.254 1.00 0.41 H new ATOM 0 HE21 GLN A 423 -6.201 -1.228 -12.688 1.00 1.11 H new ATOM 0 HE22 GLN A 423 -6.278 -0.122 -14.064 1.00 1.11 H new ATOM 462 N MET A 424 0.558 -3.445 -13.337 1.00 71.15 N ATOM 463 CA MET A 424 1.847 -3.601 -14.048 1.00 23.35 C ATOM 464 C MET A 424 2.659 -4.832 -13.559 1.00 21.25 C ATOM 465 O MET A 424 3.297 -5.490 -14.382 1.00 41.13 O ATOM 466 CB MET A 424 2.702 -2.308 -13.921 1.00 23.44 C ATOM 467 CG MET A 424 3.538 -1.912 -15.159 1.00 25.21 C ATOM 468 SD MET A 424 4.959 -2.977 -15.466 1.00 13.24 S ATOM 469 CE MET A 424 5.855 -2.021 -16.686 1.00 23.42 C ATOM 0 H MET A 424 0.588 -2.835 -12.520 1.00 71.15 H new ATOM 0 HA MET A 424 1.606 -3.774 -15.097 1.00 23.35 H new ATOM 0 HB2 MET A 424 2.035 -1.480 -13.680 1.00 23.44 H new ATOM 0 HB3 MET A 424 3.379 -2.428 -13.076 1.00 23.44 H new ATOM 0 HG2 MET A 424 2.893 -1.924 -16.038 1.00 25.21 H new ATOM 0 HG3 MET A 424 3.887 -0.887 -15.034 1.00 25.21 H new ATOM 0 HE1 MET A 424 6.761 -2.555 -16.973 1.00 23.42 H new ATOM 0 HE2 MET A 424 5.227 -1.873 -17.565 1.00 23.42 H new ATOM 0 HE3 MET A 424 6.123 -1.052 -16.264 1.00 23.42 H new ATOM 479 N PHE A 425 2.601 -5.189 -12.254 1.00 51.34 N ATOM 480 CA PHE A 425 3.579 -6.127 -11.679 1.00 2.32 C ATOM 481 C PHE A 425 3.262 -7.647 -11.922 1.00 10.43 C ATOM 482 O PHE A 425 4.038 -8.489 -11.474 1.00 73.11 O ATOM 483 CB PHE A 425 3.881 -5.786 -10.185 1.00 31.01 C ATOM 484 CG PHE A 425 5.283 -5.337 -9.920 1.00 43.11 C ATOM 485 CD1 PHE A 425 5.613 -4.011 -10.089 1.00 15.12 C ATOM 486 CD2 PHE A 425 6.256 -6.211 -9.459 1.00 65.53 C ATOM 487 CE1 PHE A 425 6.878 -3.553 -9.822 1.00 64.55 C ATOM 488 CE2 PHE A 425 7.531 -5.760 -9.181 1.00 20.33 C ATOM 489 CZ PHE A 425 7.849 -4.426 -9.361 1.00 45.41 C ATOM 0 H PHE A 425 1.901 -4.847 -11.596 1.00 51.34 H new ATOM 0 HA PHE A 425 4.500 -5.974 -12.242 1.00 2.32 H new ATOM 0 HB2 PHE A 425 3.195 -5.004 -9.859 1.00 31.01 H new ATOM 0 HB3 PHE A 425 3.674 -6.666 -9.576 1.00 31.01 H new ATOM 0 HD1 PHE A 425 4.862 -3.318 -10.438 1.00 15.12 H new ATOM 0 HD2 PHE A 425 6.014 -7.254 -9.316 1.00 65.53 H new ATOM 0 HE1 PHE A 425 7.117 -2.510 -9.971 1.00 64.55 H new ATOM 0 HE2 PHE A 425 8.281 -6.450 -8.823 1.00 20.33 H new ATOM 0 HZ PHE A 425 8.845 -4.069 -9.144 1.00 45.41 H new ATOM 499 N MET A 426 2.157 -8.011 -12.647 1.00 53.34 N ATOM 500 CA MET A 426 1.717 -9.416 -12.764 1.00 75.23 C ATOM 501 C MET A 426 2.567 -10.308 -13.704 1.00 12.44 C ATOM 502 O MET A 426 2.768 -11.467 -13.358 1.00 31.43 O ATOM 503 CB MET A 426 0.259 -9.516 -13.199 1.00 70.31 C ATOM 504 CG MET A 426 -0.710 -9.645 -12.047 1.00 53.41 C ATOM 505 SD MET A 426 -0.500 -11.184 -11.144 1.00 0.21 S ATOM 506 CE MET A 426 -1.828 -10.998 -9.981 1.00 34.04 C ATOM 0 H MET A 426 1.568 -7.347 -13.150 1.00 53.34 H new ATOM 0 HA MET A 426 1.854 -9.802 -11.754 1.00 75.23 H new ATOM 0 HB2 MET A 426 0.001 -8.632 -13.782 1.00 70.31 H new ATOM 0 HB3 MET A 426 0.144 -10.377 -13.858 1.00 70.31 H new ATOM 0 HG2 MET A 426 -0.574 -8.805 -11.365 1.00 53.41 H new ATOM 0 HG3 MET A 426 -1.730 -9.585 -12.426 1.00 53.41 H new ATOM 0 HE1 MET A 426 -1.622 -11.597 -9.094 1.00 34.04 H new ATOM 0 HE2 MET A 426 -1.919 -9.949 -9.698 1.00 34.04 H new ATOM 0 HE3 MET A 426 -2.760 -11.333 -10.436 1.00 34.04 H new ATOM 516 N PRO A 427 3.046 -9.871 -14.927 1.00 73.25 N ATOM 517 CA PRO A 427 3.885 -10.753 -15.762 1.00 4.21 C ATOM 518 C PRO A 427 5.312 -10.954 -15.235 1.00 22.15 C ATOM 519 O PRO A 427 6.056 -11.776 -15.773 1.00 5.12 O ATOM 520 CB PRO A 427 3.921 -10.089 -17.134 1.00 41.21 C ATOM 521 CG PRO A 427 3.403 -8.691 -16.966 1.00 61.25 C ATOM 522 CD PRO A 427 2.762 -8.586 -15.607 1.00 2.35 C ATOM 0 HA PRO A 427 3.457 -11.755 -15.772 1.00 4.21 H new ATOM 0 HB2 PRO A 427 4.937 -10.078 -17.529 1.00 41.21 H new ATOM 0 HB3 PRO A 427 3.309 -10.643 -17.845 1.00 41.21 H new ATOM 0 HG2 PRO A 427 4.216 -7.971 -17.059 1.00 61.25 H new ATOM 0 HG3 PRO A 427 2.679 -8.458 -17.747 1.00 61.25 H new ATOM 0 HD2 PRO A 427 3.172 -7.747 -15.045 1.00 2.35 H new ATOM 0 HD3 PRO A 427 1.688 -8.418 -15.693 1.00 2.35 H new ATOM 530 N PHE A 428 5.693 -10.203 -14.197 1.00 25.40 N ATOM 531 CA PHE A 428 6.946 -10.472 -13.491 1.00 71.13 C ATOM 532 C PHE A 428 6.708 -11.466 -12.312 1.00 74.04 C ATOM 533 O PHE A 428 7.689 -11.925 -11.720 1.00 3.31 O ATOM 534 CB PHE A 428 7.709 -9.154 -13.039 1.00 23.21 C ATOM 535 CG PHE A 428 8.193 -8.253 -14.172 1.00 34.04 C ATOM 536 CD1 PHE A 428 8.911 -8.775 -15.243 1.00 22.45 C ATOM 537 CD2 PHE A 428 7.941 -6.877 -14.158 1.00 62.52 C ATOM 538 CE1 PHE A 428 9.364 -7.956 -16.263 1.00 74.41 C ATOM 539 CE2 PHE A 428 8.397 -6.056 -15.180 1.00 44.42 C ATOM 540 CZ PHE A 428 9.100 -6.599 -16.234 1.00 22.11 C ATOM 0 H PHE A 428 5.159 -9.415 -13.832 1.00 25.40 H new ATOM 0 HA PHE A 428 7.619 -10.952 -14.201 1.00 71.13 H new ATOM 0 HB2 PHE A 428 7.047 -8.575 -12.395 1.00 23.21 H new ATOM 0 HB3 PHE A 428 8.569 -9.442 -12.435 1.00 23.21 H new ATOM 0 HD1 PHE A 428 9.118 -9.834 -15.279 1.00 22.45 H new ATOM 0 HD2 PHE A 428 7.383 -6.447 -13.339 1.00 62.52 H new ATOM 0 HE1 PHE A 428 9.925 -8.378 -17.084 1.00 74.41 H new ATOM 0 HE2 PHE A 428 8.201 -4.994 -15.149 1.00 44.42 H new ATOM 0 HZ PHE A 428 9.445 -5.965 -17.037 1.00 22.11 H new ATOM 550 N GLY A 429 5.423 -11.878 -12.003 1.00 0.42 N ATOM 551 CA GLY A 429 5.214 -12.808 -10.873 1.00 62.44 C ATOM 552 C GLY A 429 3.868 -12.577 -10.059 1.00 44.44 C ATOM 553 O GLY A 429 3.154 -11.623 -10.352 1.00 43.10 O ATOM 0 H GLY A 429 4.579 -11.591 -12.498 1.00 0.42 H new ATOM 0 HA2 GLY A 429 5.220 -13.829 -11.255 1.00 62.44 H new ATOM 0 HA3 GLY A 429 6.057 -12.719 -10.187 1.00 62.44 H new ATOM 557 N ASN A 430 3.528 -13.443 -9.029 1.00 13.03 N ATOM 558 CA ASN A 430 2.165 -13.439 -8.344 1.00 25.12 C ATOM 559 C ASN A 430 1.942 -12.259 -7.274 1.00 32.33 C ATOM 560 O ASN A 430 2.899 -11.844 -6.612 1.00 40.13 O ATOM 561 CB ASN A 430 1.930 -14.833 -7.665 1.00 4.14 C ATOM 562 CG ASN A 430 0.459 -15.268 -7.595 1.00 44.03 C ATOM 563 OD1 ASN A 430 -0.382 -14.814 -8.382 1.00 1.13 O ATOM 564 ND2 ASN A 430 0.159 -16.211 -6.688 1.00 30.15 N ATOM 0 H ASN A 430 4.169 -14.144 -8.658 1.00 13.03 H new ATOM 0 HA ASN A 430 1.433 -13.248 -9.129 1.00 25.12 H new ATOM 0 HB2 ASN A 430 2.493 -15.589 -8.212 1.00 4.14 H new ATOM 0 HB3 ASN A 430 2.335 -14.803 -6.654 1.00 4.14 H new ATOM 0 HD21 ASN A 430 -0.791 -16.579 -6.630 1.00 30.15 H new ATOM 0 HD22 ASN A 430 0.881 -16.560 -6.057 1.00 30.15 H new ATOM 571 N VAL A 431 0.667 -11.706 -7.122 1.00 72.52 N ATOM 572 CA VAL A 431 0.310 -10.703 -6.025 1.00 43.42 C ATOM 573 C VAL A 431 -0.197 -11.458 -4.741 1.00 31.44 C ATOM 574 O VAL A 431 -0.754 -12.552 -4.888 1.00 65.03 O ATOM 575 CB VAL A 431 -0.830 -9.639 -6.370 1.00 34.54 C ATOM 576 CG1 VAL A 431 -0.534 -8.760 -7.578 1.00 15.13 C ATOM 577 CG2 VAL A 431 -2.263 -10.214 -6.478 1.00 64.33 C ATOM 0 H VAL A 431 -0.115 -11.935 -7.735 1.00 72.52 H new ATOM 0 HA VAL A 431 1.243 -10.157 -5.888 1.00 43.42 H new ATOM 0 HB VAL A 431 -0.806 -9.007 -5.482 1.00 34.54 H new ATOM 0 HG11 VAL A 431 -1.362 -8.069 -7.737 1.00 15.13 H new ATOM 0 HG12 VAL A 431 0.381 -8.195 -7.401 1.00 15.13 H new ATOM 0 HG13 VAL A 431 -0.409 -9.386 -8.462 1.00 15.13 H new ATOM 0 HG21 VAL A 431 -2.960 -9.411 -6.715 1.00 64.33 H new ATOM 0 HG22 VAL A 431 -2.295 -10.966 -7.266 1.00 64.33 H new ATOM 0 HG23 VAL A 431 -2.544 -10.671 -5.529 1.00 64.33 H new ATOM 587 N ILE A 432 0.037 -10.970 -3.475 1.00 54.35 N ATOM 588 CA ILE A 432 -0.888 -11.418 -2.339 1.00 11.44 C ATOM 589 C ILE A 432 -1.608 -10.239 -1.603 1.00 3.41 C ATOM 590 O ILE A 432 -2.811 -10.350 -1.386 1.00 40.25 O ATOM 591 CB ILE A 432 -0.412 -12.584 -1.312 1.00 11.52 C ATOM 592 CG1 ILE A 432 0.905 -13.305 -1.714 1.00 21.14 C ATOM 593 CG2 ILE A 432 -1.485 -13.701 -1.210 1.00 12.42 C ATOM 594 CD1 ILE A 432 1.226 -14.621 -0.927 1.00 31.44 C ATOM 0 H ILE A 432 0.783 -10.325 -3.215 1.00 54.35 H new ATOM 0 HA ILE A 432 -1.615 -11.964 -2.940 1.00 11.44 H new ATOM 0 HB ILE A 432 -0.256 -12.053 -0.373 1.00 11.52 H new ATOM 0 HG12 ILE A 432 0.858 -13.541 -2.777 1.00 21.14 H new ATOM 0 HG13 ILE A 432 1.734 -12.611 -1.578 1.00 21.14 H new ATOM 0 HG21 ILE A 432 -1.144 -14.470 -0.517 1.00 12.42 H new ATOM 0 HG22 ILE A 432 -2.421 -13.275 -0.848 1.00 12.42 H new ATOM 0 HG23 ILE A 432 -1.644 -14.143 -2.193 1.00 12.42 H new ATOM 0 HD11 ILE A 432 2.165 -15.040 -1.287 1.00 31.44 H new ATOM 0 HD12 ILE A 432 1.313 -14.397 0.136 1.00 31.44 H new ATOM 0 HD13 ILE A 432 0.424 -15.342 -1.082 1.00 31.44 H new ATOM 606 N SER A 433 -0.918 -9.107 -1.219 1.00 64.31 N ATOM 607 CA SER A 433 -1.631 -7.987 -0.461 1.00 53.33 C ATOM 608 C SER A 433 -1.159 -6.526 -0.849 1.00 13.53 C ATOM 609 O SER A 433 0.030 -6.348 -1.130 1.00 45.34 O ATOM 610 CB SER A 433 -1.471 -8.185 1.073 1.00 64.24 C ATOM 611 OG SER A 433 -2.618 -8.817 1.614 1.00 31.42 O ATOM 0 H SER A 433 0.071 -8.941 -1.403 1.00 64.31 H new ATOM 0 HA SER A 433 -2.677 -8.063 -0.757 1.00 53.33 H new ATOM 0 HB2 SER A 433 -0.586 -8.788 1.278 1.00 64.24 H new ATOM 0 HB3 SER A 433 -1.318 -7.220 1.556 1.00 64.24 H new ATOM 0 HG SER A 433 -3.005 -9.420 0.946 1.00 31.42 H new ATOM 617 N ALA A 434 -2.081 -5.466 -0.873 1.00 15.43 N ATOM 618 CA ALA A 434 -1.632 -4.038 -1.116 1.00 63.12 C ATOM 619 C ALA A 434 -2.286 -2.962 -0.236 1.00 22.33 C ATOM 620 O ALA A 434 -3.487 -3.016 0.038 1.00 44.13 O ATOM 621 CB ALA A 434 -1.861 -3.648 -2.558 1.00 73.42 C ATOM 0 H ALA A 434 -3.085 -5.577 -0.733 1.00 15.43 H new ATOM 0 HA ALA A 434 -0.576 -4.058 -0.849 1.00 63.12 H new ATOM 0 HB1 ALA A 434 -1.533 -2.620 -2.713 1.00 73.42 H new ATOM 0 HB2 ALA A 434 -1.293 -4.313 -3.209 1.00 73.42 H new ATOM 0 HB3 ALA A 434 -2.922 -3.729 -2.793 1.00 73.42 H new ATOM 627 N LYS A 435 -1.440 -1.974 0.190 1.00 62.44 N ATOM 628 CA LYS A 435 -1.880 -0.713 0.840 1.00 30.01 C ATOM 629 C LYS A 435 -0.789 0.376 0.622 1.00 51.44 C ATOM 630 O LYS A 435 0.390 0.099 0.871 1.00 50.20 O ATOM 631 CB LYS A 435 -2.141 -0.908 2.370 1.00 73.04 C ATOM 632 CG LYS A 435 -1.289 -1.997 3.031 1.00 32.33 C ATOM 633 CD LYS A 435 -0.783 -1.609 4.422 1.00 31.32 C ATOM 634 CE LYS A 435 0.224 -0.452 4.411 1.00 63.52 C ATOM 635 NZ LYS A 435 1.371 -0.688 3.488 1.00 52.32 N ATOM 0 H LYS A 435 -0.427 -2.038 0.088 1.00 62.44 H new ATOM 0 HA LYS A 435 -2.821 -0.402 0.386 1.00 30.01 H new ATOM 0 HB2 LYS A 435 -1.957 0.038 2.880 1.00 73.04 H new ATOM 0 HB3 LYS A 435 -3.194 -1.150 2.517 1.00 73.04 H new ATOM 0 HG2 LYS A 435 -1.877 -2.912 3.108 1.00 32.33 H new ATOM 0 HG3 LYS A 435 -0.436 -2.220 2.391 1.00 32.33 H new ATOM 0 HD2 LYS A 435 -1.634 -1.332 5.044 1.00 31.32 H new ATOM 0 HD3 LYS A 435 -0.318 -2.479 4.886 1.00 31.32 H new ATOM 0 HE2 LYS A 435 -0.288 0.465 4.119 1.00 63.52 H new ATOM 0 HE3 LYS A 435 0.603 -0.298 5.421 1.00 63.52 H new ATOM 0 HZ1 LYS A 435 2.098 0.038 3.645 1.00 52.32 H new ATOM 0 HZ2 LYS A 435 1.776 -1.628 3.671 1.00 52.32 H new ATOM 0 HZ3 LYS A 435 1.040 -0.639 2.503 1.00 52.32 H new ATOM 649 N VAL A 436 -1.132 1.589 0.132 1.00 2.12 N ATOM 650 CA VAL A 436 -0.155 2.713 0.192 1.00 70.54 C ATOM 651 C VAL A 436 -0.571 3.621 1.331 1.00 53.44 C ATOM 652 O VAL A 436 -1.659 4.202 1.248 1.00 50.41 O ATOM 653 CB VAL A 436 -0.033 3.638 -1.111 1.00 72.44 C ATOM 654 CG1 VAL A 436 1.351 3.579 -1.773 1.00 73.25 C ATOM 655 CG2 VAL A 436 -1.093 3.381 -2.182 1.00 30.52 C ATOM 0 H VAL A 436 -2.032 1.815 -0.291 1.00 2.12 H new ATOM 0 HA VAL A 436 0.817 2.232 0.307 1.00 70.54 H new ATOM 0 HB VAL A 436 -0.201 4.636 -0.705 1.00 72.44 H new ATOM 0 HG11 VAL A 436 1.364 4.228 -2.648 1.00 73.25 H new ATOM 0 HG12 VAL A 436 2.108 3.912 -1.063 1.00 73.25 H new ATOM 0 HG13 VAL A 436 1.565 2.555 -2.078 1.00 73.25 H new ATOM 0 HG21 VAL A 436 -0.930 4.053 -3.024 1.00 30.52 H new ATOM 0 HG22 VAL A 436 -1.023 2.348 -2.523 1.00 30.52 H new ATOM 0 HG23 VAL A 436 -2.084 3.558 -1.763 1.00 30.52 H new ATOM 665 N PHE A 437 0.221 3.758 2.426 1.00 74.42 N ATOM 666 CA PHE A 437 -0.074 4.867 3.303 1.00 11.22 C ATOM 667 C PHE A 437 0.696 6.068 2.812 1.00 31.51 C ATOM 668 O PHE A 437 1.885 6.264 3.095 1.00 63.25 O ATOM 669 CB PHE A 437 0.257 4.564 4.757 1.00 51.40 C ATOM 670 CG PHE A 437 -0.603 3.488 5.419 1.00 21.24 C ATOM 671 CD1 PHE A 437 -1.929 3.255 5.033 1.00 63.42 C ATOM 672 CD2 PHE A 437 -0.077 2.708 6.444 1.00 12.22 C ATOM 673 CE1 PHE A 437 -2.696 2.285 5.656 1.00 23.51 C ATOM 674 CE2 PHE A 437 -0.848 1.736 7.067 1.00 70.44 C ATOM 675 CZ PHE A 437 -2.153 1.522 6.666 1.00 3.41 C ATOM 0 H PHE A 437 1.002 3.157 2.690 1.00 74.42 H new ATOM 0 HA PHE A 437 -1.146 5.064 3.277 1.00 11.22 H new ATOM 0 HB2 PHE A 437 1.301 4.257 4.817 1.00 51.40 H new ATOM 0 HB3 PHE A 437 0.162 5.485 5.332 1.00 51.40 H new ATOM 0 HD1 PHE A 437 -2.361 3.842 4.236 1.00 63.42 H new ATOM 0 HD2 PHE A 437 0.945 2.861 6.759 1.00 12.22 H new ATOM 0 HE1 PHE A 437 -3.720 2.127 5.350 1.00 23.51 H new ATOM 0 HE2 PHE A 437 -0.427 1.146 7.867 1.00 70.44 H new ATOM 0 HZ PHE A 437 -2.747 0.757 7.144 1.00 3.41 H new ATOM 846 N PHE A 448 5.156 5.679 1.374 1.00 24.13 N ATOM 847 CA PHE A 448 5.434 4.372 1.967 1.00 64.34 C ATOM 848 C PHE A 448 4.579 3.240 1.331 1.00 62.33 C ATOM 849 O PHE A 448 3.351 3.313 1.313 1.00 1.22 O ATOM 850 CB PHE A 448 5.227 4.473 3.512 1.00 0.11 C ATOM 851 CG PHE A 448 5.293 3.154 4.250 1.00 44.31 C ATOM 852 CD1 PHE A 448 6.513 2.554 4.524 1.00 14.34 C ATOM 853 CD2 PHE A 448 4.128 2.508 4.667 1.00 15.32 C ATOM 854 CE1 PHE A 448 6.570 1.341 5.178 1.00 71.34 C ATOM 855 CE2 PHE A 448 4.186 1.297 5.319 1.00 13.43 C ATOM 856 CZ PHE A 448 5.406 0.715 5.580 1.00 13.43 C ATOM 0 HA PHE A 448 6.469 4.099 1.760 1.00 64.34 H new ATOM 0 HB2 PHE A 448 5.984 5.141 3.923 1.00 0.11 H new ATOM 0 HB3 PHE A 448 4.258 4.933 3.705 1.00 0.11 H new ATOM 0 HD1 PHE A 448 7.428 3.042 4.222 1.00 14.34 H new ATOM 0 HD2 PHE A 448 3.168 2.964 4.476 1.00 15.32 H new ATOM 0 HE1 PHE A 448 7.526 0.880 5.376 1.00 71.34 H new ATOM 0 HE2 PHE A 448 3.275 0.804 5.625 1.00 13.43 H new ATOM 0 HZ PHE A 448 5.453 -0.231 6.099 1.00 13.43 H new ATOM 866 N GLY A 449 5.262 2.202 0.812 1.00 13.40 N ATOM 867 CA GLY A 449 4.591 0.927 0.401 1.00 44.04 C ATOM 868 C GLY A 449 5.298 -0.348 0.919 1.00 14.34 C ATOM 869 O GLY A 449 6.336 -0.238 1.553 1.00 43.54 O ATOM 0 H GLY A 449 6.271 2.208 0.663 1.00 13.40 H new ATOM 0 HA2 GLY A 449 3.564 0.935 0.765 1.00 44.04 H new ATOM 0 HA3 GLY A 449 4.543 0.887 -0.687 1.00 44.04 H new ATOM 873 N PHE A 450 4.650 -1.545 0.732 1.00 54.35 N ATOM 874 CA PHE A 450 5.288 -2.920 0.887 1.00 22.21 C ATOM 875 C PHE A 450 4.444 -3.945 0.056 1.00 2.10 C ATOM 876 O PHE A 450 3.257 -3.646 -0.147 1.00 11.42 O ATOM 877 CB PHE A 450 5.505 -3.335 2.396 1.00 21.21 C ATOM 878 CG PHE A 450 4.314 -3.829 3.202 1.00 72.44 C ATOM 879 CD1 PHE A 450 3.741 -5.080 2.977 1.00 75.32 C ATOM 880 CD2 PHE A 450 3.792 -3.042 4.223 1.00 74.34 C ATOM 881 CE1 PHE A 450 2.680 -5.515 3.728 1.00 51.25 C ATOM 882 CE2 PHE A 450 2.721 -3.485 4.978 1.00 72.23 C ATOM 883 CZ PHE A 450 2.167 -4.722 4.726 1.00 23.31 C ATOM 0 H PHE A 450 3.666 -1.594 0.468 1.00 54.35 H new ATOM 0 HA PHE A 450 6.302 -2.902 0.488 1.00 22.21 H new ATOM 0 HB2 PHE A 450 6.264 -4.117 2.417 1.00 21.21 H new ATOM 0 HB3 PHE A 450 5.921 -2.473 2.918 1.00 21.21 H new ATOM 0 HD1 PHE A 450 4.139 -5.716 2.200 1.00 75.32 H new ATOM 0 HD2 PHE A 450 4.227 -2.075 4.428 1.00 74.34 H new ATOM 0 HE1 PHE A 450 2.246 -6.485 3.535 1.00 51.25 H new ATOM 0 HE2 PHE A 450 2.319 -2.863 5.764 1.00 72.23 H new ATOM 0 HZ PHE A 450 1.329 -5.068 5.313 1.00 23.31 H new ATOM 893 N VAL A 451 4.968 -5.140 -0.426 1.00 32.22 N ATOM 894 CA VAL A 451 4.050 -6.070 -1.190 1.00 32.14 C ATOM 895 C VAL A 451 4.563 -7.539 -1.196 1.00 2.14 C ATOM 896 O VAL A 451 5.761 -7.775 -1.001 1.00 10.04 O ATOM 897 CB VAL A 451 3.664 -5.470 -2.637 1.00 60.02 C ATOM 898 CG1 VAL A 451 4.866 -5.156 -3.491 1.00 70.55 C ATOM 899 CG2 VAL A 451 2.740 -6.324 -3.517 1.00 64.10 C ATOM 0 H VAL A 451 5.931 -5.456 -0.312 1.00 32.22 H new ATOM 0 HA VAL A 451 3.104 -6.127 -0.652 1.00 32.14 H new ATOM 0 HB VAL A 451 3.123 -4.574 -2.335 1.00 60.02 H new ATOM 0 HG11 VAL A 451 4.537 -4.756 -4.450 1.00 70.55 H new ATOM 0 HG12 VAL A 451 5.489 -4.418 -2.985 1.00 70.55 H new ATOM 0 HG13 VAL A 451 5.443 -6.066 -3.656 1.00 70.55 H new ATOM 0 HG21 VAL A 451 2.558 -5.809 -4.460 1.00 64.10 H new ATOM 0 HG22 VAL A 451 3.212 -7.286 -3.714 1.00 64.10 H new ATOM 0 HG23 VAL A 451 1.793 -6.483 -3.002 1.00 64.10 H new ATOM 909 N SER A 452 3.647 -8.536 -1.391 1.00 53.44 N ATOM 910 CA SER A 452 3.930 -9.917 -1.052 1.00 32.05 C ATOM 911 C SER A 452 4.235 -10.708 -2.356 1.00 2.10 C ATOM 912 O SER A 452 3.346 -10.811 -3.206 1.00 34.32 O ATOM 913 CB SER A 452 2.665 -10.466 -0.300 1.00 31.24 C ATOM 914 OG SER A 452 2.981 -11.630 0.447 1.00 4.45 O ATOM 0 H SER A 452 2.717 -8.383 -1.781 1.00 53.44 H new ATOM 0 HA SER A 452 4.803 -10.019 -0.408 1.00 32.05 H new ATOM 0 HB2 SER A 452 2.272 -9.698 0.366 1.00 31.24 H new ATOM 0 HB3 SER A 452 1.880 -10.695 -1.021 1.00 31.24 H new ATOM 0 HG SER A 452 2.178 -11.951 0.907 1.00 4.45 H new ATOM 920 N TYR A 453 5.488 -11.248 -2.545 1.00 3.14 N ATOM 921 CA TYR A 453 5.835 -11.943 -3.798 1.00 73.41 C ATOM 922 C TYR A 453 6.273 -13.403 -3.454 1.00 45.21 C ATOM 923 O TYR A 453 7.027 -13.552 -2.485 1.00 31.24 O ATOM 924 CB TYR A 453 6.955 -11.030 -4.427 1.00 13.34 C ATOM 925 CG TYR A 453 6.994 -10.745 -5.931 1.00 71.41 C ATOM 926 CD1 TYR A 453 6.032 -9.979 -6.556 1.00 15.51 C ATOM 927 CD2 TYR A 453 8.087 -11.101 -6.683 1.00 13.22 C ATOM 928 CE1 TYR A 453 6.152 -9.614 -7.879 1.00 21.13 C ATOM 929 CE2 TYR A 453 8.199 -10.759 -8.009 1.00 32.12 C ATOM 930 CZ TYR A 453 7.227 -10.000 -8.592 1.00 50.12 C ATOM 931 OH TYR A 453 7.343 -9.602 -9.888 1.00 21.51 O ATOM 0 H TYR A 453 6.240 -11.208 -1.857 1.00 3.14 H new ATOM 0 HA TYR A 453 5.025 -12.068 -4.517 1.00 73.41 H new ATOM 0 HB2 TYR A 453 6.901 -10.066 -3.922 1.00 13.34 H new ATOM 0 HB3 TYR A 453 7.914 -11.475 -4.162 1.00 13.34 H new ATOM 0 HD1 TYR A 453 5.166 -9.658 -5.996 1.00 15.51 H new ATOM 0 HD2 TYR A 453 8.881 -11.666 -6.218 1.00 13.22 H new ATOM 0 HE1 TYR A 453 5.382 -9.017 -8.345 1.00 21.13 H new ATOM 0 HE2 TYR A 453 9.051 -11.089 -8.586 1.00 32.12 H new ATOM 0 HH TYR A 453 7.957 -10.202 -10.361 1.00 21.51 H new ATOM 941 N ASP A 454 5.753 -14.477 -4.209 1.00 63.32 N ATOM 942 CA ASP A 454 5.978 -15.939 -3.874 1.00 33.24 C ATOM 943 C ASP A 454 7.348 -16.311 -3.292 1.00 11.43 C ATOM 944 O ASP A 454 7.459 -16.534 -2.084 1.00 21.30 O ATOM 945 CB ASP A 454 5.711 -16.865 -5.085 1.00 63.40 C ATOM 946 CG ASP A 454 4.237 -17.036 -5.444 1.00 33.12 C ATOM 947 OD1 ASP A 454 3.375 -16.296 -4.913 1.00 12.43 O ATOM 948 OD2 ASP A 454 3.945 -17.921 -6.272 1.00 51.20 O ATOM 0 H ASP A 454 5.182 -14.338 -5.043 1.00 63.32 H new ATOM 0 HA ASP A 454 5.249 -16.096 -3.079 1.00 33.24 H new ATOM 0 HB2 ASP A 454 6.238 -16.468 -5.952 1.00 63.40 H new ATOM 0 HB3 ASP A 454 6.136 -17.847 -4.875 1.00 63.40 H new ATOM 953 N ASN A 455 8.384 -16.404 -4.124 1.00 33.21 N ATOM 954 CA ASN A 455 9.660 -16.911 -3.645 1.00 50.02 C ATOM 955 C ASN A 455 10.848 -16.179 -4.311 1.00 54.24 C ATOM 956 O ASN A 455 10.744 -15.837 -5.485 1.00 20.42 O ATOM 957 CB ASN A 455 9.732 -18.431 -3.887 1.00 22.41 C ATOM 958 CG ASN A 455 10.486 -19.159 -2.792 1.00 50.34 C ATOM 959 OD1 ASN A 455 10.128 -18.879 -1.533 1.00 72.43 O flip ATOM 960 ND2 ASN A 455 11.346 -19.995 -3.063 1.00 31.44 N flip ATOM 0 H ASN A 455 8.364 -16.141 -5.109 1.00 33.21 H new ATOM 0 HA ASN A 455 9.733 -16.719 -2.574 1.00 50.02 H new ATOM 0 HB2 ASN A 455 8.721 -18.833 -3.956 1.00 22.41 H new ATOM 0 HB3 ASN A 455 10.217 -18.620 -4.845 1.00 22.41 H new ATOM 0 HD21 ASN A 455 11.590 -20.179 -4.036 1.00 31.44 H new ATOM 0 HD22 ASN A 455 11.816 -20.505 -2.315 1.00 31.44 H new ATOM 967 N PRO A 456 11.967 -15.909 -3.545 1.00 3.32 N ATOM 968 CA PRO A 456 13.214 -15.192 -3.982 1.00 33.23 C ATOM 969 C PRO A 456 13.826 -15.335 -5.429 1.00 10.35 C ATOM 970 O PRO A 456 14.739 -14.554 -5.701 1.00 2.21 O ATOM 971 CB PRO A 456 14.268 -15.584 -2.934 1.00 63.21 C ATOM 972 CG PRO A 456 13.538 -16.236 -1.799 1.00 54.41 C ATOM 973 CD PRO A 456 12.067 -16.158 -2.078 1.00 64.34 C ATOM 0 HA PRO A 456 12.905 -14.149 -4.052 1.00 33.23 H new ATOM 0 HB2 PRO A 456 15.002 -16.266 -3.362 1.00 63.21 H new ATOM 0 HB3 PRO A 456 14.813 -14.706 -2.588 1.00 63.21 H new ATOM 0 HG2 PRO A 456 13.850 -17.275 -1.694 1.00 54.41 H new ATOM 0 HG3 PRO A 456 13.773 -15.736 -0.859 1.00 54.41 H new ATOM 0 HD2 PRO A 456 11.562 -17.083 -1.799 1.00 64.34 H new ATOM 0 HD3 PRO A 456 11.599 -15.355 -1.508 1.00 64.34 H new ATOM 981 N VAL A 457 13.427 -16.270 -6.354 1.00 30.44 N ATOM 982 CA VAL A 457 13.979 -16.202 -7.734 1.00 4.52 C ATOM 983 C VAL A 457 13.296 -15.062 -8.516 1.00 60.35 C ATOM 984 O VAL A 457 13.786 -14.613 -9.554 1.00 74.11 O ATOM 985 CB VAL A 457 14.002 -17.539 -8.592 1.00 40.12 C ATOM 986 CG1 VAL A 457 15.109 -18.481 -8.120 1.00 33.21 C ATOM 987 CG2 VAL A 457 12.690 -18.323 -8.660 1.00 60.12 C ATOM 0 H VAL A 457 12.768 -17.029 -6.179 1.00 30.44 H new ATOM 0 HA VAL A 457 15.039 -16.006 -7.575 1.00 4.52 H new ATOM 0 HB VAL A 457 14.188 -17.178 -9.603 1.00 40.12 H new ATOM 0 HG11 VAL A 457 15.099 -19.387 -8.726 1.00 33.21 H new ATOM 0 HG12 VAL A 457 16.075 -17.987 -8.222 1.00 33.21 H new ATOM 0 HG13 VAL A 457 14.943 -18.742 -7.075 1.00 33.21 H new ATOM 0 HG21 VAL A 457 12.830 -19.214 -9.272 1.00 60.12 H new ATOM 0 HG22 VAL A 457 12.390 -18.618 -7.654 1.00 60.12 H new ATOM 0 HG23 VAL A 457 11.915 -17.697 -9.102 1.00 60.12 H new ATOM 997 N SER A 458 12.151 -14.606 -7.992 1.00 1.53 N ATOM 998 CA SER A 458 11.492 -13.401 -8.439 1.00 70.11 C ATOM 999 C SER A 458 12.014 -12.091 -7.687 1.00 25.04 C ATOM 1000 O SER A 458 11.598 -11.004 -8.101 1.00 74.23 O ATOM 1001 CB SER A 458 9.946 -13.606 -8.362 1.00 60.14 C ATOM 1002 OG SER A 458 9.593 -14.952 -8.655 1.00 32.22 O ATOM 0 H SER A 458 11.660 -15.081 -7.235 1.00 1.53 H new ATOM 0 HA SER A 458 11.752 -13.218 -9.481 1.00 70.11 H new ATOM 0 HB2 SER A 458 9.590 -13.342 -7.366 1.00 60.14 H new ATOM 0 HB3 SER A 458 9.452 -12.936 -9.065 1.00 60.14 H new ATOM 0 HG SER A 458 8.620 -15.055 -8.598 1.00 32.22 H new ATOM 1008 N ALA A 459 12.864 -12.168 -6.539 1.00 14.04 N ATOM 1009 CA ALA A 459 13.472 -10.938 -5.898 1.00 32.13 C ATOM 1010 C ALA A 459 14.161 -10.026 -6.896 1.00 0.13 C ATOM 1011 O ALA A 459 13.634 -9.011 -7.321 1.00 4.54 O ATOM 1012 CB ALA A 459 14.576 -11.300 -4.851 1.00 1.30 C ATOM 0 H ALA A 459 13.115 -13.044 -6.080 1.00 14.04 H new ATOM 0 HA ALA A 459 12.620 -10.441 -5.435 1.00 32.13 H new ATOM 0 HB1 ALA A 459 14.982 -10.385 -4.419 1.00 1.30 H new ATOM 0 HB2 ALA A 459 14.141 -11.913 -4.061 1.00 1.30 H new ATOM 0 HB3 ALA A 459 15.375 -11.855 -5.342 1.00 1.30 H new ATOM 1018 N GLN A 460 15.262 -10.527 -7.371 1.00 53.45 N ATOM 1019 CA GLN A 460 16.281 -9.762 -8.010 1.00 62.42 C ATOM 1020 C GLN A 460 15.993 -9.341 -9.463 1.00 54.13 C ATOM 1021 O GLN A 460 16.513 -8.300 -9.870 1.00 52.54 O ATOM 1022 CB GLN A 460 17.574 -10.552 -7.872 1.00 71.41 C ATOM 1023 CG GLN A 460 18.015 -10.738 -6.399 1.00 74.03 C ATOM 1024 CD GLN A 460 18.776 -12.025 -6.180 1.00 21.22 C ATOM 1025 OE1 GLN A 460 18.181 -13.076 -5.937 1.00 12.23 O ATOM 1026 NE2 GLN A 460 20.091 -11.949 -6.224 1.00 33.33 N ATOM 0 H GLN A 460 15.480 -11.522 -7.320 1.00 53.45 H new ATOM 0 HA GLN A 460 16.345 -8.795 -7.510 1.00 62.42 H new ATOM 0 HB2 GLN A 460 17.446 -11.531 -8.334 1.00 71.41 H new ATOM 0 HB3 GLN A 460 18.365 -10.042 -8.421 1.00 71.41 H new ATOM 0 HG2 GLN A 460 18.639 -9.896 -6.101 1.00 74.03 H new ATOM 0 HG3 GLN A 460 17.135 -10.726 -5.756 1.00 74.03 H new ATOM 0 HE21 GLN A 460 20.544 -11.058 -6.429 1.00 33.33 H new ATOM 0 HE22 GLN A 460 20.656 -12.781 -6.053 1.00 33.33 H new ATOM 1035 N ALA A 461 15.169 -10.082 -10.256 1.00 61.32 N ATOM 1036 CA ALA A 461 15.015 -9.696 -11.649 1.00 44.34 C ATOM 1037 C ALA A 461 13.981 -8.488 -11.894 1.00 31.24 C ATOM 1038 O ALA A 461 14.096 -7.845 -12.944 1.00 1.31 O ATOM 1039 CB ALA A 461 14.921 -10.938 -12.609 1.00 54.12 C ATOM 0 H ALA A 461 14.638 -10.900 -9.959 1.00 61.32 H new ATOM 0 HA ALA A 461 15.947 -9.220 -11.954 1.00 44.34 H new ATOM 0 HB1 ALA A 461 14.807 -10.595 -13.637 1.00 54.12 H new ATOM 0 HB2 ALA A 461 15.830 -11.533 -12.524 1.00 54.12 H new ATOM 0 HB3 ALA A 461 14.061 -11.548 -12.332 1.00 54.12 H new ATOM 1045 N ALA A 462 13.007 -8.118 -10.931 1.00 43.52 N ATOM 1046 CA ALA A 462 12.216 -6.807 -11.037 1.00 71.41 C ATOM 1047 C ALA A 462 12.883 -5.597 -10.293 1.00 44.34 C ATOM 1048 O ALA A 462 12.917 -4.504 -10.865 1.00 61.42 O ATOM 1049 CB ALA A 462 10.760 -6.970 -10.591 1.00 71.42 C ATOM 0 H ALA A 462 12.769 -8.686 -10.118 1.00 43.52 H new ATOM 0 HA ALA A 462 12.229 -6.566 -12.100 1.00 71.41 H new ATOM 0 HB1 ALA A 462 10.242 -6.016 -10.684 1.00 71.42 H new ATOM 0 HB2 ALA A 462 10.268 -7.713 -11.219 1.00 71.42 H new ATOM 0 HB3 ALA A 462 10.732 -7.298 -9.552 1.00 71.42 H new ATOM 1055 N ILE A 463 13.354 -5.802 -9.005 1.00 33.31 N ATOM 1056 CA ILE A 463 14.073 -4.781 -8.151 1.00 43.32 C ATOM 1057 C ILE A 463 15.080 -3.843 -8.917 1.00 53.33 C ATOM 1058 O ILE A 463 15.032 -2.633 -8.692 1.00 62.31 O ATOM 1059 CB ILE A 463 14.751 -5.425 -6.813 1.00 61.12 C ATOM 1060 CG1 ILE A 463 13.773 -6.346 -6.029 1.00 11.02 C ATOM 1061 CG2 ILE A 463 15.289 -4.380 -5.800 1.00 55.03 C ATOM 1062 CD1 ILE A 463 12.530 -5.698 -5.405 1.00 25.24 C ATOM 0 H ILE A 463 13.241 -6.696 -8.528 1.00 33.31 H new ATOM 0 HA ILE A 463 13.267 -4.122 -7.829 1.00 43.32 H new ATOM 0 HB ILE A 463 15.587 -5.996 -7.217 1.00 61.12 H new ATOM 0 HG12 ILE A 463 13.438 -7.132 -6.705 1.00 11.02 H new ATOM 0 HG13 ILE A 463 14.335 -6.830 -5.231 1.00 11.02 H new ATOM 0 HG21 ILE A 463 15.722 -4.894 -4.942 1.00 55.03 H new ATOM 0 HG22 ILE A 463 16.053 -3.768 -6.280 1.00 55.03 H new ATOM 0 HG23 ILE A 463 14.471 -3.743 -5.466 1.00 55.03 H new ATOM 0 HD11 ILE A 463 11.942 -6.459 -4.891 1.00 25.24 H new ATOM 0 HD12 ILE A 463 12.838 -4.934 -4.691 1.00 25.24 H new ATOM 0 HD13 ILE A 463 11.926 -5.240 -6.189 1.00 25.24 H new ATOM 1074 N GLN A 464 15.952 -4.352 -9.827 1.00 64.40 N ATOM 1075 CA GLN A 464 16.871 -3.468 -10.585 1.00 23.44 C ATOM 1076 C GLN A 464 16.307 -2.877 -11.939 1.00 54.20 C ATOM 1077 O GLN A 464 16.830 -1.850 -12.348 1.00 25.34 O ATOM 1078 CB GLN A 464 18.320 -4.076 -10.761 1.00 2.05 C ATOM 1079 CG GLN A 464 19.046 -4.459 -9.449 1.00 70.32 C ATOM 1080 CD GLN A 464 19.084 -3.349 -8.406 1.00 43.31 C ATOM 1081 OE1 GLN A 464 19.090 -2.161 -8.713 1.00 64.44 O ATOM 1082 NE2 GLN A 464 19.119 -3.745 -7.148 1.00 74.14 N ATOM 0 H GLN A 464 16.036 -5.344 -10.048 1.00 64.40 H new ATOM 0 HA GLN A 464 16.957 -2.600 -9.932 1.00 23.44 H new ATOM 0 HB2 GLN A 464 18.249 -4.964 -11.389 1.00 2.05 H new ATOM 0 HB3 GLN A 464 18.935 -3.354 -11.299 1.00 2.05 H new ATOM 0 HG2 GLN A 464 18.555 -5.331 -9.017 1.00 70.32 H new ATOM 0 HG3 GLN A 464 20.068 -4.754 -9.686 1.00 70.32 H new ATOM 0 HE21 GLN A 464 19.113 -4.741 -6.926 1.00 74.14 H new ATOM 0 HE22 GLN A 464 19.152 -3.056 -6.397 1.00 74.14 H new ATOM 1091 N ALA A 465 15.265 -3.456 -12.653 1.00 73.21 N ATOM 1092 CA ALA A 465 14.617 -2.706 -13.798 1.00 34.32 C ATOM 1093 C ALA A 465 13.823 -1.441 -13.316 1.00 13.15 C ATOM 1094 O ALA A 465 13.702 -0.466 -14.058 1.00 2.14 O ATOM 1095 CB ALA A 465 13.752 -3.628 -14.758 1.00 54.11 C ATOM 0 H ALA A 465 14.879 -4.382 -12.469 1.00 73.21 H new ATOM 0 HA ALA A 465 15.446 -2.347 -14.408 1.00 34.32 H new ATOM 0 HB1 ALA A 465 13.320 -3.021 -15.553 1.00 54.11 H new ATOM 0 HB2 ALA A 465 14.389 -4.398 -15.194 1.00 54.11 H new ATOM 0 HB3 ALA A 465 12.953 -4.100 -14.186 1.00 54.11 H new ATOM 1101 N MET A 466 13.320 -1.461 -12.063 1.00 35.01 N ATOM 1102 CA MET A 466 12.634 -0.292 -11.403 1.00 55.15 C ATOM 1103 C MET A 466 13.586 0.658 -10.595 1.00 64.43 C ATOM 1104 O MET A 466 13.103 1.431 -9.767 1.00 4.40 O ATOM 1105 CB MET A 466 11.545 -0.809 -10.423 1.00 23.12 C ATOM 1106 CG MET A 466 10.084 -0.518 -10.802 1.00 12.34 C ATOM 1107 SD MET A 466 9.397 -1.652 -12.035 1.00 43.14 S ATOM 1108 CE MET A 466 9.952 -0.929 -13.577 1.00 3.23 C ATOM 0 H MET A 466 13.371 -2.285 -11.465 1.00 35.01 H new ATOM 0 HA MET A 466 12.216 0.291 -12.224 1.00 55.15 H new ATOM 0 HB2 MET A 466 11.662 -1.888 -10.322 1.00 23.12 H new ATOM 0 HB3 MET A 466 11.736 -0.374 -9.442 1.00 23.12 H new ATOM 0 HG2 MET A 466 9.471 -0.563 -9.902 1.00 12.34 H new ATOM 0 HG3 MET A 466 10.015 0.501 -11.184 1.00 12.34 H new ATOM 0 HE1 MET A 466 9.389 -1.361 -14.405 1.00 3.23 H new ATOM 0 HE2 MET A 466 9.791 0.149 -13.552 1.00 3.23 H new ATOM 0 HE3 MET A 466 11.014 -1.134 -13.714 1.00 3.23 H new ATOM 1118 N ASN A 467 14.910 0.629 -10.826 1.00 21.53 N ATOM 1119 CA ASN A 467 15.880 1.391 -9.987 1.00 51.44 C ATOM 1120 C ASN A 467 16.105 2.844 -10.543 1.00 41.33 C ATOM 1121 O ASN A 467 16.725 2.942 -11.607 1.00 32.31 O ATOM 1122 CB ASN A 467 17.214 0.608 -9.945 1.00 51.14 C ATOM 1123 CG ASN A 467 18.224 1.168 -8.930 1.00 33.51 C ATOM 1124 OD1 ASN A 467 19.415 1.203 -9.219 1.00 34.05 O ATOM 1125 ND2 ASN A 467 17.786 1.561 -7.716 1.00 51.41 N ATOM 0 H ASN A 467 15.341 0.093 -11.579 1.00 21.53 H new ATOM 0 HA ASN A 467 15.478 1.496 -8.979 1.00 51.44 H new ATOM 0 HB2 ASN A 467 17.007 -0.434 -9.702 1.00 51.14 H new ATOM 0 HB3 ASN A 467 17.664 0.620 -10.938 1.00 51.14 H new ATOM 0 HD21 ASN A 467 18.450 1.895 -7.018 1.00 51.41 H new ATOM 0 HD22 ASN A 467 16.791 1.524 -7.496 1.00 51.41 H new ATOM 1132 N GLY A 468 15.625 3.988 -9.886 1.00 2.40 N ATOM 1133 CA GLY A 468 15.996 5.320 -10.416 1.00 73.12 C ATOM 1134 C GLY A 468 15.293 5.752 -11.716 1.00 50.42 C ATOM 1135 O GLY A 468 15.802 6.616 -12.429 1.00 60.31 O ATOM 0 H GLY A 468 15.030 3.989 -9.057 1.00 2.40 H new ATOM 0 HA2 GLY A 468 15.786 6.065 -9.649 1.00 73.12 H new ATOM 0 HA3 GLY A 468 17.072 5.333 -10.587 1.00 73.12 H new ATOM 1139 N PHE A 469 14.139 5.165 -12.018 1.00 32.11 N ATOM 1140 CA PHE A 469 13.596 5.143 -13.379 1.00 44.23 C ATOM 1141 C PHE A 469 12.523 6.264 -13.472 1.00 72.23 C ATOM 1142 O PHE A 469 11.487 6.164 -12.802 1.00 21.24 O ATOM 1143 CB PHE A 469 13.048 3.676 -13.639 1.00 53.24 C ATOM 1144 CG PHE A 469 12.566 3.342 -15.027 1.00 23.15 C ATOM 1145 CD1 PHE A 469 11.288 3.679 -15.439 1.00 24.31 C ATOM 1146 CD2 PHE A 469 13.375 2.620 -15.904 1.00 0.32 C ATOM 1147 CE1 PHE A 469 10.824 3.319 -16.679 1.00 33.52 C ATOM 1148 CE2 PHE A 469 12.912 2.266 -17.157 1.00 42.15 C ATOM 1149 CZ PHE A 469 11.631 2.616 -17.544 1.00 40.51 C ATOM 0 H PHE A 469 13.553 4.691 -11.331 1.00 32.11 H new ATOM 0 HA PHE A 469 14.330 5.351 -14.157 1.00 44.23 H new ATOM 0 HB2 PHE A 469 13.839 2.972 -13.381 1.00 53.24 H new ATOM 0 HB3 PHE A 469 12.225 3.498 -12.947 1.00 53.24 H new ATOM 0 HD1 PHE A 469 10.645 4.235 -14.773 1.00 24.31 H new ATOM 0 HD2 PHE A 469 14.372 2.335 -15.601 1.00 0.32 H new ATOM 0 HE1 PHE A 469 9.822 3.588 -16.977 1.00 33.52 H new ATOM 0 HE2 PHE A 469 13.550 1.717 -17.834 1.00 42.15 H new ATOM 0 HZ PHE A 469 11.265 2.339 -18.522 1.00 40.51 H new ATOM 1159 N GLN A 470 12.777 7.364 -14.247 1.00 55.42 N ATOM 1160 CA GLN A 470 11.818 8.488 -14.298 1.00 1.10 C ATOM 1161 C GLN A 470 10.555 8.184 -15.134 1.00 53.01 C ATOM 1162 O GLN A 470 10.660 7.765 -16.288 1.00 14.34 O ATOM 1163 CB GLN A 470 12.517 9.736 -14.853 1.00 64.03 C ATOM 1164 CG GLN A 470 13.076 10.691 -13.786 1.00 71.41 C ATOM 1165 CD GLN A 470 12.086 11.768 -13.337 1.00 51.33 C ATOM 1166 OE1 GLN A 470 12.493 12.839 -12.897 1.00 23.01 O ATOM 1167 NE2 GLN A 470 10.789 11.519 -13.473 1.00 35.43 N ATOM 0 H GLN A 470 13.611 7.485 -14.822 1.00 55.42 H new ATOM 0 HA GLN A 470 11.480 8.657 -13.275 1.00 1.10 H new ATOM 0 HB2 GLN A 470 13.334 9.419 -15.501 1.00 64.03 H new ATOM 0 HB3 GLN A 470 11.810 10.284 -15.476 1.00 64.03 H new ATOM 0 HG2 GLN A 470 13.383 10.109 -12.917 1.00 71.41 H new ATOM 0 HG3 GLN A 470 13.971 11.175 -14.178 1.00 71.41 H new ATOM 0 HE21 GLN A 470 10.478 10.620 -13.841 1.00 35.43 H new ATOM 0 HE22 GLN A 470 10.103 12.227 -13.209 1.00 35.43 H new ATOM 1176 N ILE A 471 9.364 8.421 -14.537 1.00 20.45 N ATOM 1177 CA ILE A 471 8.073 8.279 -15.229 1.00 61.32 C ATOM 1178 C ILE A 471 7.218 9.555 -14.894 1.00 14.04 C ATOM 1179 O ILE A 471 6.637 9.617 -13.798 1.00 12.11 O ATOM 1180 CB ILE A 471 7.322 6.903 -14.808 1.00 41.45 C ATOM 1181 CG1 ILE A 471 8.024 5.660 -15.479 1.00 14.44 C ATOM 1182 CG2 ILE A 471 5.789 6.900 -15.085 1.00 71.30 C ATOM 1183 CD1 ILE A 471 7.248 4.336 -15.465 1.00 64.22 C ATOM 0 H ILE A 471 9.277 8.715 -13.564 1.00 20.45 H new ATOM 0 HA ILE A 471 8.221 8.210 -16.307 1.00 61.32 H new ATOM 0 HB ILE A 471 7.418 6.830 -13.725 1.00 41.45 H new ATOM 0 HG12 ILE A 471 8.245 5.913 -16.516 1.00 14.44 H new ATOM 0 HG13 ILE A 471 8.979 5.499 -14.980 1.00 14.44 H new ATOM 0 HG21 ILE A 471 5.365 5.945 -14.775 1.00 71.30 H new ATOM 0 HG22 ILE A 471 5.316 7.706 -14.524 1.00 71.30 H new ATOM 0 HG23 ILE A 471 5.611 7.047 -16.150 1.00 71.30 H new ATOM 0 HD11 ILE A 471 7.839 3.563 -15.956 1.00 64.22 H new ATOM 0 HD12 ILE A 471 7.050 4.041 -14.434 1.00 64.22 H new ATOM 0 HD13 ILE A 471 6.304 4.462 -15.994 1.00 64.22 H new ATOM 1195 N GLY A 472 7.221 10.641 -15.751 1.00 60.55 N ATOM 1196 CA GLY A 472 6.343 11.781 -15.474 1.00 61.32 C ATOM 1197 C GLY A 472 6.935 12.723 -14.444 1.00 33.25 C ATOM 1198 O GLY A 472 8.141 12.980 -14.437 1.00 60.31 O ATOM 0 H GLY A 472 7.798 10.726 -16.588 1.00 60.55 H new ATOM 0 HA2 GLY A 472 6.157 12.327 -16.399 1.00 61.32 H new ATOM 0 HA3 GLY A 472 5.379 11.417 -15.119 1.00 61.32 H new ATOM 1202 N MET A 473 6.076 13.209 -13.553 1.00 22.30 N ATOM 1203 CA MET A 473 6.498 14.143 -12.489 1.00 61.02 C ATOM 1204 C MET A 473 6.918 13.422 -11.179 1.00 32.25 C ATOM 1205 O MET A 473 7.066 14.071 -10.138 1.00 22.41 O ATOM 1206 CB MET A 473 5.394 15.222 -12.227 1.00 62.10 C ATOM 1207 CG MET A 473 4.009 14.663 -11.889 1.00 42.22 C ATOM 1208 SD MET A 473 3.529 14.935 -10.170 1.00 40.42 S ATOM 1209 CE MET A 473 3.147 16.689 -10.189 1.00 62.10 C ATOM 0 H MET A 473 5.083 12.978 -13.538 1.00 22.30 H new ATOM 0 HA MET A 473 7.393 14.649 -12.850 1.00 61.02 H new ATOM 0 HB2 MET A 473 5.720 15.862 -11.408 1.00 62.10 H new ATOM 0 HB3 MET A 473 5.308 15.854 -13.111 1.00 62.10 H new ATOM 0 HG2 MET A 473 3.269 15.125 -12.543 1.00 42.22 H new ATOM 0 HG3 MET A 473 3.996 13.593 -12.098 1.00 42.22 H new ATOM 0 HE1 MET A 473 2.834 17.004 -9.193 1.00 62.10 H new ATOM 0 HE2 MET A 473 4.032 17.251 -10.486 1.00 62.10 H new ATOM 0 HE3 MET A 473 2.342 16.878 -10.899 1.00 62.10 H new ATOM 1219 N LYS A 474 7.156 12.092 -11.240 1.00 43.21 N ATOM 1220 CA LYS A 474 7.618 11.318 -10.043 1.00 51.30 C ATOM 1221 C LYS A 474 8.743 10.322 -10.432 1.00 4.34 C ATOM 1222 O LYS A 474 8.893 10.017 -11.619 1.00 32.22 O ATOM 1223 CB LYS A 474 6.460 10.515 -9.360 1.00 34.01 C ATOM 1224 CG LYS A 474 5.287 11.314 -8.738 1.00 70.34 C ATOM 1225 CD LYS A 474 5.699 12.271 -7.593 1.00 32.40 C ATOM 1226 CE LYS A 474 4.577 12.437 -6.561 1.00 24.42 C ATOM 1227 NZ LYS A 474 4.697 13.721 -5.821 1.00 4.32 N ATOM 0 H LYS A 474 7.041 11.532 -12.085 1.00 43.21 H new ATOM 0 HA LYS A 474 7.992 12.056 -9.333 1.00 51.30 H new ATOM 0 HB2 LYS A 474 6.043 9.834 -10.102 1.00 34.01 H new ATOM 0 HB3 LYS A 474 6.899 9.900 -8.574 1.00 34.01 H new ATOM 0 HG2 LYS A 474 4.802 11.894 -9.523 1.00 70.34 H new ATOM 0 HG3 LYS A 474 4.546 10.611 -8.358 1.00 70.34 H new ATOM 0 HD2 LYS A 474 6.592 11.886 -7.101 1.00 32.40 H new ATOM 0 HD3 LYS A 474 5.958 13.245 -8.008 1.00 32.40 H new ATOM 0 HE2 LYS A 474 3.611 12.396 -7.064 1.00 24.42 H new ATOM 0 HE3 LYS A 474 4.605 11.606 -5.856 1.00 24.42 H new ATOM 0 HZ1 LYS A 474 3.922 13.798 -5.132 1.00 4.32 H new ATOM 0 HZ2 LYS A 474 5.608 13.750 -5.321 1.00 4.32 H new ATOM 0 HZ3 LYS A 474 4.645 14.514 -6.492 1.00 4.32 H new ATOM 1241 N ARG A 475 9.518 9.787 -9.447 1.00 42.31 N ATOM 1242 CA ARG A 475 10.594 8.807 -9.768 1.00 75.50 C ATOM 1243 C ARG A 475 10.450 7.528 -8.915 1.00 43.01 C ATOM 1244 O ARG A 475 10.068 7.608 -7.742 1.00 71.13 O ATOM 1245 CB ARG A 475 12.025 9.475 -9.613 1.00 22.20 C ATOM 1246 CG ARG A 475 12.534 9.797 -8.152 1.00 61.33 C ATOM 1247 CD ARG A 475 13.164 11.209 -7.944 1.00 64.41 C ATOM 1248 NE ARG A 475 14.469 11.341 -8.609 1.00 41.34 N ATOM 1249 CZ ARG A 475 14.988 12.494 -9.068 1.00 61.42 C ATOM 1250 NH1 ARG A 475 14.338 13.649 -8.946 1.00 74.15 N ATOM 1251 NH2 ARG A 475 16.190 12.484 -9.627 1.00 13.32 N ATOM 0 H ARG A 475 9.423 10.009 -8.456 1.00 42.31 H new ATOM 0 HA ARG A 475 10.490 8.506 -10.810 1.00 75.50 H new ATOM 0 HB2 ARG A 475 12.755 8.817 -10.084 1.00 22.20 H new ATOM 0 HB3 ARG A 475 12.023 10.406 -10.180 1.00 22.20 H new ATOM 0 HG2 ARG A 475 11.695 9.690 -7.464 1.00 61.33 H new ATOM 0 HG3 ARG A 475 13.273 9.046 -7.872 1.00 61.33 H new ATOM 0 HD2 ARG A 475 12.484 11.968 -8.330 1.00 64.41 H new ATOM 0 HD3 ARG A 475 13.282 11.398 -6.877 1.00 64.41 H new ATOM 0 HE ARG A 475 15.023 10.493 -8.732 1.00 41.34 H new ATOM 0 HH11 ARG A 475 13.423 13.674 -8.495 1.00 74.15 H new ATOM 0 HH12 ARG A 475 14.755 14.509 -9.303 1.00 74.15 H new ATOM 0 HH21 ARG A 475 16.709 11.609 -9.705 1.00 13.32 H new ATOM 0 HH22 ARG A 475 16.596 13.351 -9.979 1.00 13.32 H new ATOM 1265 N LEU A 476 10.735 6.342 -9.505 1.00 63.43 N ATOM 1266 CA LEU A 476 10.527 5.053 -8.758 1.00 13.11 C ATOM 1267 C LEU A 476 11.905 4.576 -8.146 1.00 12.41 C ATOM 1268 O LEU A 476 12.802 4.236 -8.918 1.00 51.30 O ATOM 1269 CB LEU A 476 9.918 3.893 -9.698 1.00 52.20 C ATOM 1270 CG LEU A 476 8.416 3.945 -10.257 1.00 64.03 C ATOM 1271 CD1 LEU A 476 7.368 4.106 -9.167 1.00 23.20 C ATOM 1272 CD2 LEU A 476 8.225 5.027 -11.326 1.00 62.44 C ATOM 0 H LEU A 476 11.095 6.238 -10.454 1.00 63.43 H new ATOM 0 HA LEU A 476 9.803 5.241 -7.965 1.00 13.11 H new ATOM 0 HB2 LEU A 476 10.573 3.818 -10.566 1.00 52.20 H new ATOM 0 HB3 LEU A 476 10.014 2.959 -9.144 1.00 52.20 H new ATOM 0 HG LEU A 476 8.262 2.969 -10.718 1.00 64.03 H new ATOM 0 HD11 LEU A 476 6.376 4.134 -9.617 1.00 23.20 H new ATOM 0 HD12 LEU A 476 7.430 3.265 -8.476 1.00 23.20 H new ATOM 0 HD13 LEU A 476 7.546 5.035 -8.625 1.00 23.20 H new ATOM 0 HD21 LEU A 476 7.191 5.019 -11.671 1.00 62.44 H new ATOM 0 HD22 LEU A 476 8.459 6.003 -10.901 1.00 62.44 H new ATOM 0 HD23 LEU A 476 8.889 4.829 -12.167 1.00 62.44 H new ATOM 1284 N LYS A 477 12.118 4.599 -6.770 1.00 53.45 N ATOM 1285 CA LYS A 477 13.341 3.957 -6.157 1.00 2.11 C ATOM 1286 C LYS A 477 12.983 2.761 -5.221 1.00 10.34 C ATOM 1287 O LYS A 477 12.068 2.893 -4.414 1.00 32.30 O ATOM 1288 CB LYS A 477 14.139 4.999 -5.340 1.00 35.21 C ATOM 1289 CG LYS A 477 15.472 5.447 -5.964 1.00 53.30 C ATOM 1290 CD LYS A 477 16.607 5.617 -4.927 1.00 60.33 C ATOM 1291 CE LYS A 477 17.317 4.300 -4.550 1.00 22.03 C ATOM 1292 NZ LYS A 477 16.475 3.378 -3.729 1.00 54.11 N ATOM 0 H LYS A 477 11.486 5.036 -6.099 1.00 53.45 H new ATOM 0 HA LYS A 477 13.939 3.576 -6.985 1.00 2.11 H new ATOM 0 HB2 LYS A 477 13.512 5.879 -5.194 1.00 35.21 H new ATOM 0 HB3 LYS A 477 14.341 4.584 -4.353 1.00 35.21 H new ATOM 0 HG2 LYS A 477 15.779 4.716 -6.712 1.00 53.30 H new ATOM 0 HG3 LYS A 477 15.321 6.392 -6.486 1.00 53.30 H new ATOM 0 HD2 LYS A 477 17.345 6.315 -5.323 1.00 60.33 H new ATOM 0 HD3 LYS A 477 16.195 6.067 -4.024 1.00 60.33 H new ATOM 0 HE2 LYS A 477 17.619 3.786 -5.463 1.00 22.03 H new ATOM 0 HE3 LYS A 477 18.228 4.533 -3.999 1.00 22.03 H new ATOM 0 HZ1 LYS A 477 17.069 2.616 -3.343 1.00 54.11 H new ATOM 0 HZ2 LYS A 477 16.041 3.908 -2.947 1.00 54.11 H new ATOM 0 HZ3 LYS A 477 15.728 2.967 -4.325 1.00 54.11 H new ATOM 1306 N VAL A 478 13.712 1.588 -5.329 1.00 1.03 N ATOM 1307 CA VAL A 478 13.323 0.346 -4.611 1.00 32.50 C ATOM 1308 C VAL A 478 14.583 -0.509 -4.193 1.00 60.11 C ATOM 1309 O VAL A 478 15.653 -0.316 -4.780 1.00 1.13 O ATOM 1310 CB VAL A 478 12.236 -0.427 -5.447 1.00 3.12 C ATOM 1311 CG1 VAL A 478 12.568 -1.884 -5.731 1.00 4.31 C ATOM 1312 CG2 VAL A 478 10.896 -0.376 -4.754 1.00 60.12 C ATOM 0 H VAL A 478 14.553 1.495 -5.899 1.00 1.03 H new ATOM 0 HA VAL A 478 12.854 0.596 -3.659 1.00 32.50 H new ATOM 0 HB VAL A 478 12.211 0.090 -6.406 1.00 3.12 H new ATOM 0 HG11 VAL A 478 11.763 -2.334 -6.311 1.00 4.31 H new ATOM 0 HG12 VAL A 478 13.498 -1.942 -6.296 1.00 4.31 H new ATOM 0 HG13 VAL A 478 12.681 -2.422 -4.790 1.00 4.31 H new ATOM 0 HG21 VAL A 478 10.158 -0.916 -5.348 1.00 60.12 H new ATOM 0 HG22 VAL A 478 10.978 -0.837 -3.770 1.00 60.12 H new ATOM 0 HG23 VAL A 478 10.583 0.662 -4.643 1.00 60.12 H new ATOM 1322 N GLN A 479 14.468 -1.403 -3.154 1.00 0.04 N ATOM 1323 CA GLN A 479 15.624 -2.219 -2.656 1.00 3.52 C ATOM 1324 C GLN A 479 15.161 -3.539 -1.968 1.00 1.41 C ATOM 1325 O GLN A 479 13.984 -3.679 -1.606 1.00 65.04 O ATOM 1326 CB GLN A 479 16.524 -1.415 -1.698 1.00 4.14 C ATOM 1327 CG GLN A 479 18.000 -1.797 -1.815 1.00 43.31 C ATOM 1328 CD GLN A 479 18.733 -1.027 -2.895 1.00 74.21 C ATOM 1329 OE1 GLN A 479 18.741 -1.411 -4.064 1.00 15.40 O ATOM 1330 NE2 GLN A 479 19.393 0.036 -2.492 1.00 73.11 N ATOM 0 H GLN A 479 13.596 -1.573 -2.653 1.00 0.04 H new ATOM 0 HA GLN A 479 16.207 -2.483 -3.538 1.00 3.52 H new ATOM 0 HB2 GLN A 479 16.411 -0.351 -1.907 1.00 4.14 H new ATOM 0 HB3 GLN A 479 16.191 -1.576 -0.673 1.00 4.14 H new ATOM 0 HG2 GLN A 479 18.491 -1.623 -0.857 1.00 43.31 H new ATOM 0 HG3 GLN A 479 18.077 -2.864 -2.023 1.00 43.31 H new ATOM 0 HE21 GLN A 479 19.357 0.317 -1.512 1.00 73.11 H new ATOM 0 HE22 GLN A 479 19.941 0.580 -3.159 1.00 73.11 H new ATOM 1339 N LEU A 480 16.136 -4.484 -1.763 1.00 42.42 N ATOM 1340 CA LEU A 480 15.903 -5.831 -1.102 1.00 21.52 C ATOM 1341 C LEU A 480 15.709 -5.509 0.425 1.00 11.13 C ATOM 1342 O LEU A 480 16.251 -4.476 0.841 1.00 4.44 O ATOM 1343 CB LEU A 480 17.188 -6.735 -1.438 1.00 0.44 C ATOM 1344 CG LEU A 480 17.244 -8.331 -1.300 1.00 22.34 C ATOM 1345 CD1 LEU A 480 18.116 -8.895 -2.423 1.00 63.55 C ATOM 1346 CD2 LEU A 480 17.894 -8.757 0.026 1.00 2.52 C ATOM 0 H LEU A 480 17.105 -4.341 -2.048 1.00 42.42 H new ATOM 0 HA LEU A 480 15.031 -6.387 -1.445 1.00 21.52 H new ATOM 0 HB2 LEU A 480 17.449 -6.513 -2.473 1.00 0.44 H new ATOM 0 HB3 LEU A 480 17.997 -6.351 -0.816 1.00 0.44 H new ATOM 0 HG LEU A 480 16.221 -8.704 -1.345 1.00 22.34 H new ATOM 0 HD11 LEU A 480 18.161 -9.981 -2.338 1.00 63.55 H new ATOM 0 HD12 LEU A 480 17.687 -8.624 -3.388 1.00 63.55 H new ATOM 0 HD13 LEU A 480 19.122 -8.483 -2.344 1.00 63.55 H new ATOM 0 HD21 LEU A 480 17.916 -9.845 0.087 1.00 2.52 H new ATOM 0 HD22 LEU A 480 18.912 -8.370 0.073 1.00 2.52 H new ATOM 0 HD23 LEU A 480 17.316 -8.358 0.859 1.00 2.52 H new ATOM 1358 N LYS A 481 14.913 -6.320 1.238 1.00 14.41 N ATOM 1359 CA LYS A 481 14.562 -5.956 2.678 1.00 52.40 C ATOM 1360 C LYS A 481 15.794 -5.579 3.504 1.00 42.44 C ATOM 1361 O LYS A 481 16.606 -6.419 3.906 1.00 44.54 O ATOM 1362 CB LYS A 481 13.753 -7.144 3.388 1.00 50.02 C ATOM 1363 CG LYS A 481 13.553 -7.220 4.987 1.00 74.33 C ATOM 1364 CD LYS A 481 13.260 -5.891 5.719 1.00 10.40 C ATOM 1365 CE LYS A 481 12.680 -6.112 7.140 1.00 22.43 C ATOM 1366 NZ LYS A 481 13.455 -7.102 7.946 1.00 71.22 N ATOM 0 H LYS A 481 14.514 -7.206 0.927 1.00 14.41 H new ATOM 0 HA LYS A 481 13.924 -5.074 2.631 1.00 52.40 H new ATOM 0 HB2 LYS A 481 12.756 -7.149 2.948 1.00 50.02 H new ATOM 0 HB3 LYS A 481 14.238 -8.074 3.090 1.00 50.02 H new ATOM 0 HG2 LYS A 481 12.734 -7.909 5.194 1.00 74.33 H new ATOM 0 HG3 LYS A 481 14.453 -7.655 5.421 1.00 74.33 H new ATOM 0 HD2 LYS A 481 14.179 -5.309 5.791 1.00 10.40 H new ATOM 0 HD3 LYS A 481 12.556 -5.303 5.130 1.00 10.40 H new ATOM 0 HE2 LYS A 481 12.660 -5.159 7.669 1.00 22.43 H new ATOM 0 HE3 LYS A 481 11.648 -6.451 7.055 1.00 22.43 H new ATOM 0 HZ1 LYS A 481 13.091 -7.118 8.920 1.00 71.22 H new ATOM 0 HZ2 LYS A 481 13.355 -8.047 7.524 1.00 71.22 H new ATOM 0 HZ3 LYS A 481 14.459 -6.831 7.956 1.00 71.22 H new ATOM 1380 N ARG A 482 15.887 -4.262 3.695 1.00 32.55 N ATOM 1381 CA ARG A 482 16.887 -3.632 4.519 1.00 44.45 C ATOM 1382 C ARG A 482 16.257 -3.244 5.863 1.00 62.51 C ATOM 1383 O ARG A 482 15.021 -3.144 5.948 1.00 74.24 O ATOM 1384 CB ARG A 482 17.501 -2.421 3.736 1.00 52.40 C ATOM 1385 CG ARG A 482 16.636 -1.137 3.508 1.00 34.43 C ATOM 1386 CD ARG A 482 15.670 -1.186 2.294 1.00 32.52 C ATOM 1387 NE ARG A 482 15.192 0.159 1.940 1.00 15.30 N ATOM 1388 CZ ARG A 482 14.279 0.435 0.993 1.00 34.10 C ATOM 1389 NH1 ARG A 482 13.690 -0.536 0.294 1.00 12.31 N ATOM 1390 NH2 ARG A 482 13.948 1.701 0.758 1.00 1.30 N ATOM 0 H ARG A 482 15.245 -3.597 3.263 1.00 32.55 H new ATOM 0 HA ARG A 482 17.710 -4.311 4.744 1.00 44.45 H new ATOM 0 HB2 ARG A 482 18.406 -2.117 4.261 1.00 52.40 H new ATOM 0 HB3 ARG A 482 17.809 -2.787 2.756 1.00 52.40 H new ATOM 0 HG2 ARG A 482 16.050 -0.951 4.408 1.00 34.43 H new ATOM 0 HG3 ARG A 482 17.306 -0.287 3.382 1.00 34.43 H new ATOM 0 HD2 ARG A 482 16.179 -1.631 1.439 1.00 32.52 H new ATOM 0 HD3 ARG A 482 14.820 -1.827 2.528 1.00 32.52 H new ATOM 0 HE ARG A 482 15.585 0.947 2.455 1.00 15.30 H new ATOM 0 HH11 ARG A 482 13.930 -1.511 0.474 1.00 12.31 H new ATOM 0 HH12 ARG A 482 13.000 -0.304 -0.420 1.00 12.31 H new ATOM 0 HH21 ARG A 482 14.386 2.450 1.294 1.00 1.30 H new ATOM 0 HH22 ARG A 482 13.256 1.923 0.042 1.00 1.30 H new ATOM 1404 N SER A 483 17.108 -3.076 6.908 1.00 21.40 N ATOM 1405 CA SER A 483 16.655 -2.785 8.295 1.00 42.43 C ATOM 1406 C SER A 483 15.726 -1.551 8.333 1.00 44.04 C ATOM 1407 O SER A 483 16.087 -0.500 7.786 1.00 31.02 O ATOM 1408 CB SER A 483 17.910 -2.543 9.201 1.00 23.03 C ATOM 1409 OG SER A 483 19.095 -2.998 8.565 1.00 31.43 O ATOM 0 H SER A 483 18.122 -3.138 6.815 1.00 21.40 H new ATOM 0 HA SER A 483 16.087 -3.638 8.666 1.00 42.43 H new ATOM 0 HB2 SER A 483 18.000 -1.480 9.427 1.00 23.03 H new ATOM 0 HB3 SER A 483 17.782 -3.061 10.151 1.00 23.03 H new ATOM 0 HG SER A 483 19.864 -2.834 9.150 1.00 31.43 H new