USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 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 Set 1.1: A 464 GLN : amide:sc= -0.0648 K(o=-0.35,f=-1.2) USER MOD Set 1.2: A 467 ASN : amide:sc= -0.281 K(o=-0.35,f=-2.8!) USER MOD Set 2.1: A 453 TYR OH : rot 64:sc= -1.46! USER MOD Set 2.2: A 458 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 399 LYS NZ :NH3+ -119:sc= 0.989 (180deg=-0.0668) USER MOD Set 3.2: A 452 SER OG : rot 180:sc= -0.879 USER MOD Single : A 398 GLN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 406 ASN : amide:sc= -1.71! C(o=-1.7!,f=-3.4!) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HE2:sc= -0.889 K(o=-0.89,f=-2.5!) USER MOD Single : A 414 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 419 GLN : amide:sc= -0.0689 X(o=-0.069,f=-0.29) USER MOD Single : A 423 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 424 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 MET CE :methyl 145:sc= -0.042 (180deg=-0.276) USER MOD Single : A 430 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.42) USER MOD Single : A 433 SER OG : rot -170:sc= -0.0751 USER MOD Single : A 435 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.683) USER MOD Single : A 455 ASN : amide:sc= -0.0607 X(o=-0.061,f=-0.061) USER MOD Single : A 460 GLN : amide:sc= -0.172 K(o=-0.17,f=-4.2!) USER MOD Single : A 466 MET CE :methyl 167:sc= -0.018 (180deg=-0.227) USER MOD Single : A 470 GLN :FLIP amide:sc= -0.0323 F(o=-1,f=-0.032) USER MOD Single : A 473 MET CE :methyl -113:sc= -0.0331 (180deg=-0.305) USER MOD Single : A 474 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0989) USER MOD Single : A 477 LYS NZ :NH3+ -149:sc= -0.492 (180deg=-0.941) USER MOD Single : A 479 GLN :FLIP amide:sc=-0.00165 F(o=-0.86,f=-0.0017) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 483 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 -2.400 -6.705 7.536 1.00 72.32 N ATOM 57 CA GLN A 398 -1.557 -6.440 6.355 1.00 63.44 C ATOM 58 C GLN A 398 -0.609 -7.608 6.060 1.00 15.10 C ATOM 59 O GLN A 398 0.162 -8.034 6.925 1.00 73.40 O ATOM 60 CB GLN A 398 -0.714 -5.119 6.519 1.00 14.31 C ATOM 61 CG GLN A 398 0.129 -4.965 7.848 1.00 64.33 C ATOM 62 CD GLN A 398 -0.598 -4.250 8.994 1.00 61.03 C ATOM 63 OE1 GLN A 398 -1.831 -4.239 9.070 1.00 24.05 O ATOM 64 NE2 GLN A 398 0.179 -3.657 9.912 1.00 3.05 N ATOM 0 HA GLN A 398 -2.242 -6.318 5.516 1.00 63.44 H new ATOM 0 HB2 GLN A 398 -0.030 -5.047 5.674 1.00 14.31 H new ATOM 0 HB3 GLN A 398 -1.396 -4.271 6.450 1.00 14.31 H new ATOM 0 HG2 GLN A 398 0.427 -5.956 8.189 1.00 64.33 H new ATOM 0 HG3 GLN A 398 1.044 -4.418 7.620 1.00 64.33 H new ATOM 0 HE21 GLN A 398 1.194 -3.686 9.817 1.00 3.05 H new ATOM 0 HE22 GLN A 398 -0.245 -3.177 10.706 1.00 3.05 H new ATOM 73 N LYS A 399 -0.696 -8.144 4.842 1.00 51.23 N ATOM 74 CA LYS A 399 0.230 -9.205 4.439 1.00 72.30 C ATOM 75 C LYS A 399 1.467 -8.465 3.863 1.00 54.35 C ATOM 76 O LYS A 399 1.433 -7.982 2.728 1.00 10.43 O ATOM 77 CB LYS A 399 -0.564 -10.106 3.376 1.00 15.11 C ATOM 78 CG LYS A 399 0.001 -11.462 2.754 1.00 31.51 C ATOM 79 CD LYS A 399 0.241 -12.631 3.746 1.00 31.20 C ATOM 80 CE LYS A 399 1.517 -12.485 4.575 1.00 61.41 C ATOM 81 NZ LYS A 399 2.731 -12.753 3.760 1.00 21.11 N ATOM 0 H LYS A 399 -1.378 -7.871 4.134 1.00 51.23 H new ATOM 0 HA LYS A 399 0.574 -9.871 5.230 1.00 72.30 H new ATOM 0 HB2 LYS A 399 -1.516 -10.359 3.843 1.00 15.11 H new ATOM 0 HB3 LYS A 399 -0.787 -9.454 2.531 1.00 15.11 H new ATOM 0 HG2 LYS A 399 -0.696 -11.802 1.988 1.00 31.51 H new ATOM 0 HG3 LYS A 399 0.943 -11.241 2.253 1.00 31.51 H new ATOM 0 HD2 LYS A 399 -0.613 -12.704 4.420 1.00 31.20 H new ATOM 0 HD3 LYS A 399 0.287 -13.566 3.187 1.00 31.20 H new ATOM 0 HE2 LYS A 399 1.570 -11.478 4.988 1.00 61.41 H new ATOM 0 HE3 LYS A 399 1.485 -13.174 5.419 1.00 61.41 H new ATOM 0 HZ1 LYS A 399 3.246 -13.563 4.160 1.00 21.11 H new ATOM 0 HZ2 LYS A 399 2.452 -12.969 2.782 1.00 21.11 H new ATOM 0 HZ3 LYS A 399 3.346 -11.914 3.767 1.00 21.11 H new ATOM 95 N GLU A 400 2.560 -8.347 4.681 1.00 12.30 N ATOM 96 CA GLU A 400 3.890 -7.945 4.150 1.00 73.45 C ATOM 97 C GLU A 400 4.569 -9.216 3.623 1.00 61.05 C ATOM 98 O GLU A 400 4.183 -10.294 4.092 1.00 43.23 O ATOM 99 CB GLU A 400 4.769 -7.192 5.229 1.00 54.53 C ATOM 100 CG GLU A 400 4.790 -7.768 6.671 1.00 62.31 C ATOM 101 CD GLU A 400 5.970 -7.235 7.467 1.00 44.51 C ATOM 102 OE1 GLU A 400 7.072 -7.819 7.366 1.00 41.42 O ATOM 103 OE2 GLU A 400 5.806 -6.231 8.197 1.00 32.22 O ATOM 0 H GLU A 400 2.542 -8.521 5.686 1.00 12.30 H new ATOM 0 HA GLU A 400 3.769 -7.222 3.343 1.00 73.45 H new ATOM 0 HB2 GLU A 400 5.796 -7.163 4.864 1.00 54.53 H new ATOM 0 HB3 GLU A 400 4.421 -6.161 5.285 1.00 54.53 H new ATOM 0 HG2 GLU A 400 3.861 -7.511 7.180 1.00 62.31 H new ATOM 0 HG3 GLU A 400 4.840 -8.856 6.629 1.00 62.31 H new ATOM 110 N GLY A 401 5.512 -9.150 2.612 1.00 64.53 N ATOM 111 CA GLY A 401 5.982 -10.366 1.985 1.00 2.24 C ATOM 112 C GLY A 401 6.651 -11.387 2.909 1.00 43.32 C ATOM 113 O GLY A 401 7.218 -11.007 3.941 1.00 71.44 O ATOM 0 H GLY A 401 5.923 -8.288 2.253 1.00 64.53 H new ATOM 0 HA2 GLY A 401 5.136 -10.849 1.496 1.00 2.24 H new ATOM 0 HA3 GLY A 401 6.691 -10.096 1.202 1.00 2.24 H new ATOM 117 N PRO A 402 6.613 -12.701 2.534 1.00 51.12 N ATOM 118 CA PRO A 402 7.026 -13.807 3.389 1.00 14.54 C ATOM 119 C PRO A 402 8.542 -13.919 3.476 1.00 3.03 C ATOM 120 O PRO A 402 9.247 -13.046 2.964 1.00 12.12 O ATOM 121 CB PRO A 402 6.403 -15.025 2.699 1.00 55.01 C ATOM 122 CG PRO A 402 6.557 -14.717 1.268 1.00 74.35 C ATOM 123 CD PRO A 402 6.263 -13.237 1.180 1.00 22.21 C ATOM 0 HA PRO A 402 6.703 -13.691 4.424 1.00 14.54 H new ATOM 0 HB2 PRO A 402 6.917 -15.947 2.970 1.00 55.01 H new ATOM 0 HB3 PRO A 402 5.356 -15.151 2.973 1.00 55.01 H new ATOM 0 HG2 PRO A 402 7.563 -14.946 0.916 1.00 74.35 H new ATOM 0 HG3 PRO A 402 5.866 -15.298 0.658 1.00 74.35 H new ATOM 0 HD2 PRO A 402 6.856 -12.761 0.400 1.00 22.21 H new ATOM 0 HD3 PRO A 402 5.216 -13.055 0.940 1.00 22.21 H new ATOM 131 N GLU A 403 8.991 -14.962 4.173 1.00 33.43 N ATOM 132 CA GLU A 403 10.405 -15.318 4.391 1.00 40.34 C ATOM 133 C GLU A 403 11.422 -14.828 3.270 1.00 13.23 C ATOM 134 O GLU A 403 11.511 -15.425 2.195 1.00 25.32 O ATOM 135 CB GLU A 403 10.303 -16.879 4.392 1.00 32.50 C ATOM 136 CG GLU A 403 10.722 -17.498 5.713 1.00 61.14 C ATOM 137 CD GLU A 403 10.324 -18.959 5.839 1.00 33.51 C ATOM 138 OE1 GLU A 403 9.108 -19.232 5.883 1.00 60.04 O ATOM 139 OE2 GLU A 403 11.222 -19.831 5.887 1.00 12.31 O ATOM 0 H GLU A 403 8.353 -15.617 4.625 1.00 33.43 H new ATOM 0 HA GLU A 403 10.810 -14.847 5.287 1.00 40.34 H new ATOM 0 HB2 GLU A 403 9.277 -17.171 4.169 1.00 32.50 H new ATOM 0 HB3 GLU A 403 10.929 -17.279 3.594 1.00 32.50 H new ATOM 0 HG2 GLU A 403 11.803 -17.411 5.821 1.00 61.14 H new ATOM 0 HG3 GLU A 403 10.273 -16.934 6.531 1.00 61.14 H new ATOM 146 N GLY A 404 12.156 -13.685 3.535 1.00 74.43 N ATOM 147 CA GLY A 404 13.333 -13.291 2.763 1.00 64.43 C ATOM 148 C GLY A 404 13.086 -12.163 1.790 1.00 64.14 C ATOM 149 O GLY A 404 13.984 -11.352 1.588 1.00 1.45 O ATOM 0 H GLY A 404 11.926 -13.037 4.289 1.00 74.43 H new ATOM 0 HA2 GLY A 404 14.123 -12.994 3.453 1.00 64.43 H new ATOM 0 HA3 GLY A 404 13.699 -14.157 2.212 1.00 64.43 H new ATOM 153 N ALA A 405 11.904 -12.092 1.158 1.00 22.21 N ATOM 154 CA ALA A 405 11.618 -10.908 0.351 1.00 5.45 C ATOM 155 C ALA A 405 10.330 -10.179 0.739 1.00 73.14 C ATOM 156 O ALA A 405 9.241 -10.755 0.798 1.00 74.34 O ATOM 157 CB ALA A 405 11.661 -11.225 -1.131 1.00 31.00 C ATOM 0 H ALA A 405 11.171 -12.800 1.188 1.00 22.21 H new ATOM 0 HA ALA A 405 12.419 -10.204 0.574 1.00 5.45 H new ATOM 0 HB1 ALA A 405 11.444 -10.323 -1.703 1.00 31.00 H new ATOM 0 HB2 ALA A 405 12.652 -11.593 -1.396 1.00 31.00 H new ATOM 0 HB3 ALA A 405 10.918 -11.988 -1.362 1.00 31.00 H new ATOM 163 N ASN A 406 10.503 -8.883 0.951 1.00 54.15 N ATOM 164 CA ASN A 406 9.385 -7.909 1.188 1.00 45.30 C ATOM 165 C ASN A 406 9.661 -6.601 0.316 1.00 40.34 C ATOM 166 O ASN A 406 10.552 -5.830 0.688 1.00 70.13 O ATOM 167 CB ASN A 406 9.185 -7.689 2.783 1.00 63.10 C ATOM 168 CG ASN A 406 10.468 -7.801 3.631 1.00 4.14 C ATOM 169 OD1 ASN A 406 11.560 -7.467 3.192 1.00 5.10 O ATOM 170 ND2 ASN A 406 10.341 -8.312 4.869 1.00 71.14 N ATOM 0 H ASN A 406 11.425 -8.447 0.968 1.00 54.15 H new ATOM 0 HA ASN A 406 8.419 -8.282 0.849 1.00 45.30 H new ATOM 0 HB2 ASN A 406 8.747 -6.704 2.945 1.00 63.10 H new ATOM 0 HB3 ASN A 406 8.464 -8.422 3.146 1.00 63.10 H new ATOM 0 HD21 ASN A 406 11.164 -8.427 5.460 1.00 71.14 H new ATOM 0 HD22 ASN A 406 9.421 -8.584 5.216 1.00 71.14 H new ATOM 177 N LEU A 407 8.925 -6.311 -0.856 1.00 74.11 N ATOM 178 CA LEU A 407 9.571 -5.478 -1.929 1.00 32.22 C ATOM 179 C LEU A 407 8.819 -4.067 -1.953 1.00 51.51 C ATOM 180 O LEU A 407 7.635 -4.068 -2.267 1.00 51.34 O ATOM 181 CB LEU A 407 9.551 -6.320 -3.337 1.00 45.04 C ATOM 182 CG LEU A 407 10.264 -7.754 -3.425 1.00 54.43 C ATOM 183 CD1 LEU A 407 11.649 -7.810 -2.739 1.00 62.21 C ATOM 184 CD2 LEU A 407 9.364 -8.860 -2.836 1.00 63.03 C ATOM 0 H LEU A 407 7.972 -6.621 -1.048 1.00 74.11 H new ATOM 0 HA LEU A 407 10.624 -5.265 -1.744 1.00 32.22 H new ATOM 0 HB2 LEU A 407 8.507 -6.460 -3.616 1.00 45.04 H new ATOM 0 HB3 LEU A 407 10.003 -5.686 -4.100 1.00 45.04 H new ATOM 0 HG LEU A 407 10.424 -7.925 -4.490 1.00 54.43 H new ATOM 0 HD11 LEU A 407 12.066 -8.812 -2.842 1.00 62.21 H new ATOM 0 HD12 LEU A 407 12.317 -7.089 -3.209 1.00 62.21 H new ATOM 0 HD13 LEU A 407 11.541 -7.569 -1.682 1.00 62.21 H new ATOM 0 HD21 LEU A 407 9.873 -9.821 -2.909 1.00 63.03 H new ATOM 0 HD22 LEU A 407 9.154 -8.639 -1.789 1.00 63.03 H new ATOM 0 HD23 LEU A 407 8.428 -8.902 -3.393 1.00 63.03 H new ATOM 196 N PHE A 408 9.462 -2.839 -1.589 1.00 60.35 N ATOM 197 CA PHE A 408 8.610 -1.618 -1.252 1.00 10.14 C ATOM 198 C PHE A 408 8.479 -0.579 -2.408 1.00 24.35 C ATOM 199 O PHE A 408 9.379 0.244 -2.567 1.00 51.31 O ATOM 200 CB PHE A 408 9.265 -0.833 -0.069 1.00 61.21 C ATOM 201 CG PHE A 408 8.866 -1.215 1.344 1.00 34.23 C ATOM 202 CD1 PHE A 408 9.331 -2.383 1.923 1.00 23.01 C ATOM 203 CD2 PHE A 408 8.038 -0.392 2.104 1.00 10.13 C ATOM 204 CE1 PHE A 408 8.966 -2.730 3.201 1.00 51.35 C ATOM 205 CE2 PHE A 408 7.672 -0.739 3.385 1.00 14.04 C ATOM 206 CZ PHE A 408 8.137 -1.911 3.937 1.00 31.03 C ATOM 0 H PHE A 408 10.471 -2.699 -1.532 1.00 60.35 H new ATOM 0 HA PHE A 408 7.624 -2.025 -1.025 1.00 10.14 H new ATOM 0 HB2 PHE A 408 10.346 -0.943 -0.153 1.00 61.21 H new ATOM 0 HB3 PHE A 408 9.041 0.225 -0.205 1.00 61.21 H new ATOM 0 HD1 PHE A 408 9.989 -3.030 1.363 1.00 23.01 H new ATOM 0 HD2 PHE A 408 7.677 0.534 1.681 1.00 10.13 H new ATOM 0 HE1 PHE A 408 9.331 -3.651 3.632 1.00 51.35 H new ATOM 0 HE2 PHE A 408 7.021 -0.093 3.956 1.00 14.04 H new ATOM 0 HZ PHE A 408 7.854 -2.187 4.942 1.00 31.03 H new ATOM 216 N ILE A 409 7.305 -0.469 -3.094 1.00 1.11 N ATOM 217 CA ILE A 409 7.235 0.387 -4.329 1.00 32.54 C ATOM 218 C ILE A 409 6.663 1.770 -3.977 1.00 23.40 C ATOM 219 O ILE A 409 5.487 1.897 -3.641 1.00 33.55 O ATOM 220 CB ILE A 409 6.438 -0.339 -5.522 1.00 11.53 C ATOM 221 CG1 ILE A 409 6.193 -1.852 -5.210 1.00 23.44 C ATOM 222 CG2 ILE A 409 7.229 -0.213 -6.848 1.00 2.44 C ATOM 223 CD1 ILE A 409 5.039 -2.502 -5.969 1.00 34.22 C ATOM 0 H ILE A 409 6.434 -0.933 -2.836 1.00 1.11 H new ATOM 0 HA ILE A 409 8.246 0.536 -4.708 1.00 32.54 H new ATOM 0 HB ILE A 409 5.471 0.155 -5.619 1.00 11.53 H new ATOM 0 HG12 ILE A 409 7.107 -2.403 -5.432 1.00 23.44 H new ATOM 0 HG13 ILE A 409 6.008 -1.959 -4.141 1.00 23.44 H new ATOM 0 HG21 ILE A 409 6.679 -0.708 -7.648 1.00 2.44 H new ATOM 0 HG22 ILE A 409 7.359 0.841 -7.095 1.00 2.44 H new ATOM 0 HG23 ILE A 409 8.206 -0.682 -6.735 1.00 2.44 H new ATOM 0 HD11 ILE A 409 4.957 -3.549 -5.679 1.00 34.22 H new ATOM 0 HD12 ILE A 409 4.110 -1.985 -5.730 1.00 34.22 H new ATOM 0 HD13 ILE A 409 5.226 -2.436 -7.041 1.00 34.22 H new ATOM 235 N TYR A 410 7.539 2.815 -4.014 1.00 65.23 N ATOM 236 CA TYR A 410 7.133 4.165 -3.565 1.00 23.02 C ATOM 237 C TYR A 410 7.467 5.171 -4.674 1.00 5.24 C ATOM 238 O TYR A 410 8.382 4.862 -5.441 1.00 32.04 O ATOM 239 CB TYR A 410 7.824 4.540 -2.206 1.00 64.13 C ATOM 240 CG TYR A 410 9.273 5.086 -2.255 1.00 62.15 C ATOM 241 CD1 TYR A 410 10.393 4.241 -2.191 1.00 45.23 C ATOM 242 CD2 TYR A 410 9.524 6.462 -2.340 1.00 45.21 C ATOM 243 CE1 TYR A 410 11.684 4.754 -2.218 1.00 60.35 C ATOM 244 CE2 TYR A 410 10.814 6.962 -2.376 1.00 53.11 C ATOM 245 CZ TYR A 410 11.883 6.106 -2.316 1.00 73.25 C ATOM 246 OH TYR A 410 13.168 6.598 -2.376 1.00 72.52 O ATOM 0 H TYR A 410 8.503 2.746 -4.342 1.00 65.23 H new ATOM 0 HA TYR A 410 6.059 4.186 -3.380 1.00 23.02 H new ATOM 0 HB2 TYR A 410 7.203 5.285 -1.710 1.00 64.13 H new ATOM 0 HB3 TYR A 410 7.823 3.652 -1.574 1.00 64.13 H new ATOM 0 HD1 TYR A 410 10.248 3.173 -2.120 1.00 45.23 H new ATOM 0 HD2 TYR A 410 8.691 7.149 -2.378 1.00 45.21 H new ATOM 0 HE1 TYR A 410 12.531 4.087 -2.162 1.00 60.35 H new ATOM 0 HE2 TYR A 410 10.978 8.027 -2.451 1.00 53.11 H new ATOM 0 HH TYR A 410 13.141 7.575 -2.445 1.00 72.52 H new ATOM 256 N HIS A 411 6.743 6.357 -4.767 1.00 25.43 N ATOM 257 CA HIS A 411 6.961 7.375 -5.840 1.00 74.15 C ATOM 258 C HIS A 411 6.274 6.944 -7.158 1.00 70.54 C ATOM 259 O HIS A 411 6.730 7.267 -8.256 1.00 64.20 O ATOM 260 CB HIS A 411 8.458 7.728 -6.046 1.00 5.02 C ATOM 261 CG HIS A 411 8.985 8.818 -5.137 1.00 15.52 C ATOM 262 ND1 HIS A 411 10.325 9.145 -5.086 1.00 70.23 N ATOM 263 CD2 HIS A 411 8.374 9.683 -4.264 1.00 33.31 C ATOM 264 CE1 HIS A 411 10.512 10.142 -4.249 1.00 14.22 C ATOM 265 NE2 HIS A 411 9.350 10.486 -3.734 1.00 61.34 N ATOM 0 H HIS A 411 6.010 6.614 -4.105 1.00 25.43 H new ATOM 0 HA HIS A 411 6.488 8.298 -5.504 1.00 74.15 H new ATOM 0 HB2 HIS A 411 9.053 6.828 -5.893 1.00 5.02 H new ATOM 0 HB3 HIS A 411 8.605 8.035 -7.081 1.00 5.02 H new ATOM 0 HD1 HIS A 411 11.061 8.682 -5.619 1.00 70.23 H new ATOM 0 HD2 HIS A 411 7.319 9.723 -4.037 1.00 33.31 H new ATOM 0 HE1 HIS A 411 11.462 10.603 -4.022 1.00 14.22 H new ATOM 274 N LEU A 412 5.146 6.224 -6.983 1.00 52.34 N ATOM 275 CA LEU A 412 4.146 5.894 -8.030 1.00 3.42 C ATOM 276 C LEU A 412 3.596 7.171 -8.738 1.00 14.03 C ATOM 277 O LEU A 412 3.462 8.227 -8.101 1.00 62.53 O ATOM 278 CB LEU A 412 2.953 5.115 -7.354 1.00 21.25 C ATOM 279 CG LEU A 412 2.444 5.724 -6.023 1.00 60.25 C ATOM 280 CD1 LEU A 412 0.928 5.759 -5.913 1.00 31.14 C ATOM 281 CD2 LEU A 412 3.010 5.012 -4.782 1.00 4.34 C ATOM 0 H LEU A 412 4.893 5.839 -6.073 1.00 52.34 H new ATOM 0 HA LEU A 412 4.633 5.283 -8.790 1.00 3.42 H new ATOM 0 HB2 LEU A 412 2.122 5.072 -8.058 1.00 21.25 H new ATOM 0 HB3 LEU A 412 3.268 4.088 -7.169 1.00 21.25 H new ATOM 0 HG LEU A 412 2.814 6.749 -6.048 1.00 60.25 H new ATOM 0 HD11 LEU A 412 0.643 6.197 -4.957 1.00 31.14 H new ATOM 0 HD12 LEU A 412 0.518 6.360 -6.725 1.00 31.14 H new ATOM 0 HD13 LEU A 412 0.535 4.744 -5.979 1.00 31.14 H new ATOM 0 HD21 LEU A 412 2.617 5.484 -3.881 1.00 4.34 H new ATOM 0 HD22 LEU A 412 2.717 3.962 -4.799 1.00 4.34 H new ATOM 0 HD23 LEU A 412 4.098 5.085 -4.785 1.00 4.34 H new ATOM 293 N PRO A 413 3.323 7.101 -10.087 1.00 20.33 N ATOM 294 CA PRO A 413 2.709 8.208 -10.875 1.00 13.21 C ATOM 295 C PRO A 413 1.275 8.536 -10.431 1.00 44.14 C ATOM 296 O PRO A 413 0.688 7.799 -9.661 1.00 41.52 O ATOM 297 CB PRO A 413 2.726 7.686 -12.323 1.00 34.45 C ATOM 298 CG PRO A 413 2.766 6.215 -12.181 1.00 74.03 C ATOM 299 CD PRO A 413 3.617 5.948 -10.973 1.00 51.31 C ATOM 0 HA PRO A 413 3.257 9.141 -10.743 1.00 13.21 H new ATOM 0 HB2 PRO A 413 1.842 8.009 -12.872 1.00 34.45 H new ATOM 0 HB3 PRO A 413 3.593 8.057 -12.869 1.00 34.45 H new ATOM 0 HG2 PRO A 413 1.764 5.806 -12.052 1.00 74.03 H new ATOM 0 HG3 PRO A 413 3.189 5.747 -13.070 1.00 74.03 H new ATOM 0 HD2 PRO A 413 3.358 5.001 -10.500 1.00 51.31 H new ATOM 0 HD3 PRO A 413 4.675 5.897 -11.230 1.00 51.31 H new ATOM 307 N GLN A 414 0.750 9.677 -10.890 1.00 5.44 N ATOM 308 CA GLN A 414 -0.605 10.152 -10.523 1.00 22.21 C ATOM 309 C GLN A 414 -1.734 9.238 -11.132 1.00 11.23 C ATOM 310 O GLN A 414 -2.863 9.267 -10.644 1.00 61.44 O ATOM 311 CB GLN A 414 -0.737 11.655 -10.966 1.00 53.44 C ATOM 312 CG GLN A 414 -1.340 11.927 -12.393 1.00 4.23 C ATOM 313 CD GLN A 414 -0.416 11.567 -13.556 1.00 75.31 C ATOM 314 OE1 GLN A 414 0.882 11.799 -13.406 1.00 73.02 O flip ATOM 315 NE2 GLN A 414 -0.879 11.126 -14.605 1.00 73.03 N flip ATOM 0 H GLN A 414 1.245 10.302 -11.526 1.00 5.44 H new ATOM 0 HA GLN A 414 -0.739 10.087 -9.443 1.00 22.21 H new ATOM 0 HB2 GLN A 414 -1.356 12.172 -10.232 1.00 53.44 H new ATOM 0 HB3 GLN A 414 0.253 12.109 -10.924 1.00 53.44 H new ATOM 0 HG2 GLN A 414 -2.267 11.362 -12.495 1.00 4.23 H new ATOM 0 HG3 GLN A 414 -1.601 12.983 -12.467 1.00 4.23 H new ATOM 0 HE21 GLN A 414 -1.882 10.958 -14.689 1.00 73.03 H new ATOM 0 HE22 GLN A 414 -0.261 10.928 -15.392 1.00 73.03 H new ATOM 324 N GLU A 415 -1.426 8.430 -12.199 1.00 43.14 N ATOM 325 CA GLU A 415 -2.391 7.424 -12.731 1.00 75.34 C ATOM 326 C GLU A 415 -2.307 6.107 -11.922 1.00 21.33 C ATOM 327 O GLU A 415 -3.303 5.392 -11.800 1.00 4.51 O ATOM 328 CB GLU A 415 -2.174 7.149 -14.248 1.00 65.31 C ATOM 329 CG GLU A 415 -3.173 7.841 -15.209 1.00 31.51 C ATOM 330 CD GLU A 415 -2.660 7.859 -16.633 1.00 25.15 C ATOM 331 OE1 GLU A 415 -2.743 6.821 -17.320 1.00 2.01 O ATOM 332 OE2 GLU A 415 -2.175 8.921 -17.068 1.00 60.10 O ATOM 0 H GLU A 415 -0.535 8.459 -12.694 1.00 43.14 H new ATOM 0 HA GLU A 415 -3.390 7.844 -12.618 1.00 75.34 H new ATOM 0 HB2 GLU A 415 -1.165 7.464 -14.514 1.00 65.31 H new ATOM 0 HB3 GLU A 415 -2.226 6.073 -14.414 1.00 65.31 H new ATOM 0 HG2 GLU A 415 -4.131 7.322 -15.174 1.00 31.51 H new ATOM 0 HG3 GLU A 415 -3.352 8.863 -14.874 1.00 31.51 H new ATOM 339 N PHE A 416 -1.116 5.791 -11.384 1.00 40.12 N ATOM 340 CA PHE A 416 -0.978 4.693 -10.372 1.00 50.41 C ATOM 341 C PHE A 416 -1.336 5.181 -8.929 1.00 72.44 C ATOM 342 O PHE A 416 -1.449 6.379 -8.667 1.00 24.43 O ATOM 343 CB PHE A 416 0.378 3.902 -10.438 1.00 32.44 C ATOM 344 CG PHE A 416 0.625 3.017 -11.666 1.00 2.54 C ATOM 345 CD1 PHE A 416 -0.368 2.648 -12.602 1.00 13.14 C ATOM 346 CD2 PHE A 416 1.906 2.530 -11.861 1.00 15.43 C ATOM 347 CE1 PHE A 416 -0.051 1.822 -13.686 1.00 11.30 C ATOM 348 CE2 PHE A 416 2.211 1.716 -12.936 1.00 54.14 C ATOM 349 CZ PHE A 416 1.237 1.364 -13.845 1.00 64.23 C ATOM 0 H PHE A 416 -0.242 6.262 -11.618 1.00 40.12 H new ATOM 0 HA PHE A 416 -1.724 3.950 -10.654 1.00 50.41 H new ATOM 0 HB2 PHE A 416 1.192 4.625 -10.376 1.00 32.44 H new ATOM 0 HB3 PHE A 416 0.443 3.272 -9.551 1.00 32.44 H new ATOM 0 HD1 PHE A 416 -1.379 3.006 -12.479 1.00 13.14 H new ATOM 0 HD2 PHE A 416 2.684 2.791 -11.159 1.00 15.43 H new ATOM 0 HE1 PHE A 416 -0.816 1.544 -14.396 1.00 11.30 H new ATOM 0 HE2 PHE A 416 3.220 1.353 -13.064 1.00 54.14 H new ATOM 0 HZ PHE A 416 1.484 0.729 -14.682 1.00 64.23 H new ATOM 359 N GLY A 417 -1.584 4.221 -8.027 1.00 4.45 N ATOM 360 CA GLY A 417 -2.465 4.401 -6.865 1.00 34.10 C ATOM 361 C GLY A 417 -2.807 2.997 -6.316 1.00 22.55 C ATOM 362 O GLY A 417 -2.125 2.066 -6.706 1.00 44.41 O ATOM 0 H GLY A 417 -1.174 3.289 -8.084 1.00 4.45 H new ATOM 0 HA2 GLY A 417 -1.972 5.002 -6.100 1.00 34.10 H new ATOM 0 HA3 GLY A 417 -3.373 4.932 -7.151 1.00 34.10 H new ATOM 366 N ASP A 418 -3.828 2.796 -5.446 1.00 61.44 N ATOM 367 CA ASP A 418 -3.928 1.492 -4.712 1.00 40.41 C ATOM 368 C ASP A 418 -4.664 0.319 -5.397 1.00 52.22 C ATOM 369 O ASP A 418 -4.071 -0.751 -5.453 1.00 54.12 O ATOM 370 CB ASP A 418 -4.392 1.567 -3.249 1.00 1.04 C ATOM 371 CG ASP A 418 -5.694 2.315 -3.023 1.00 64.33 C ATOM 372 OD1 ASP A 418 -5.641 3.546 -2.821 1.00 20.30 O ATOM 373 OD2 ASP A 418 -6.764 1.673 -3.006 1.00 22.42 O ATOM 0 H ASP A 418 -4.561 3.474 -5.237 1.00 61.44 H new ATOM 0 HA ASP A 418 -2.865 1.254 -4.741 1.00 40.41 H new ATOM 0 HB2 ASP A 418 -4.503 0.552 -2.867 1.00 1.04 H new ATOM 0 HB3 ASP A 418 -3.609 2.045 -2.660 1.00 1.04 H new ATOM 378 N GLN A 419 -5.947 0.443 -5.853 1.00 54.21 N ATOM 379 CA GLN A 419 -6.645 -0.719 -6.439 1.00 53.10 C ATOM 380 C GLN A 419 -5.928 -1.123 -7.767 1.00 0.32 C ATOM 381 O GLN A 419 -5.799 -2.312 -8.073 1.00 63.30 O ATOM 382 CB GLN A 419 -8.207 -0.474 -6.573 1.00 4.34 C ATOM 383 CG GLN A 419 -8.893 -0.982 -7.868 1.00 0.21 C ATOM 384 CD GLN A 419 -8.911 -2.503 -8.028 1.00 71.42 C ATOM 385 OE1 GLN A 419 -9.012 -3.254 -7.057 1.00 14.23 O ATOM 386 NE2 GLN A 419 -8.798 -2.950 -9.273 1.00 64.21 N ATOM 0 H GLN A 419 -6.492 1.305 -5.824 1.00 54.21 H new ATOM 0 HA GLN A 419 -6.579 -1.574 -5.766 1.00 53.10 H new ATOM 0 HB2 GLN A 419 -8.698 -0.947 -5.722 1.00 4.34 H new ATOM 0 HB3 GLN A 419 -8.390 0.597 -6.491 1.00 4.34 H new ATOM 0 HG2 GLN A 419 -9.920 -0.616 -7.886 1.00 0.21 H new ATOM 0 HG3 GLN A 419 -8.384 -0.546 -8.728 1.00 0.21 H new ATOM 0 HE21 GLN A 419 -8.717 -2.290 -10.046 1.00 64.21 H new ATOM 0 HE22 GLN A 419 -8.792 -3.953 -9.456 1.00 64.21 H new ATOM 395 N ASP A 420 -5.358 -0.119 -8.469 1.00 54.33 N ATOM 396 CA ASP A 420 -4.649 -0.314 -9.745 1.00 72.51 C ATOM 397 C ASP A 420 -3.186 -0.813 -9.580 1.00 52.30 C ATOM 398 O ASP A 420 -2.533 -1.118 -10.571 1.00 13.20 O ATOM 399 CB ASP A 420 -4.659 0.968 -10.582 1.00 73.33 C ATOM 400 CG ASP A 420 -4.372 2.196 -9.769 1.00 31.34 C ATOM 401 OD1 ASP A 420 -5.323 2.765 -9.180 1.00 75.41 O ATOM 402 OD2 ASP A 420 -3.208 2.579 -9.706 1.00 22.13 O ATOM 0 H ASP A 420 -5.379 0.853 -8.161 1.00 54.33 H new ATOM 0 HA ASP A 420 -5.199 -1.101 -10.262 1.00 72.51 H new ATOM 0 HB2 ASP A 420 -3.918 0.883 -11.377 1.00 73.33 H new ATOM 0 HB3 ASP A 420 -5.632 1.075 -11.062 1.00 73.33 H new ATOM 407 N ILE A 421 -2.669 -0.852 -8.330 1.00 13.50 N ATOM 408 CA ILE A 421 -1.191 -1.069 -8.061 1.00 71.43 C ATOM 409 C ILE A 421 -0.788 -2.521 -8.374 1.00 55.30 C ATOM 410 O ILE A 421 0.367 -2.812 -8.721 1.00 10.23 O ATOM 411 CB ILE A 421 -0.821 -0.681 -6.573 1.00 52.32 C ATOM 412 CG1 ILE A 421 0.644 -0.155 -6.394 1.00 72.43 C ATOM 413 CG2 ILE A 421 -1.066 -1.855 -5.585 1.00 62.43 C ATOM 414 CD1 ILE A 421 0.755 0.892 -5.282 1.00 30.32 C ATOM 0 H ILE A 421 -3.231 -0.739 -7.486 1.00 13.50 H new ATOM 0 HA ILE A 421 -0.626 -0.413 -8.723 1.00 71.43 H new ATOM 0 HB ILE A 421 -1.494 0.143 -6.337 1.00 52.32 H new ATOM 0 HG12 ILE A 421 1.303 -0.993 -6.168 1.00 72.43 H new ATOM 0 HG13 ILE A 421 0.989 0.278 -7.333 1.00 72.43 H new ATOM 0 HG21 ILE A 421 -0.798 -1.543 -4.576 1.00 62.43 H new ATOM 0 HG22 ILE A 421 -2.118 -2.138 -5.610 1.00 62.43 H new ATOM 0 HG23 ILE A 421 -0.454 -2.709 -5.875 1.00 62.43 H new ATOM 0 HD11 ILE A 421 1.789 1.225 -5.198 1.00 30.32 H new ATOM 0 HD12 ILE A 421 0.118 1.744 -5.519 1.00 30.32 H new ATOM 0 HD13 ILE A 421 0.437 0.453 -4.336 1.00 30.32 H new ATOM 426 N LEU A 422 -1.791 -3.399 -8.271 1.00 14.41 N ATOM 427 CA LEU A 422 -1.712 -4.788 -8.639 1.00 1.31 C ATOM 428 C LEU A 422 -1.440 -4.965 -10.174 1.00 54.13 C ATOM 429 O LEU A 422 -0.957 -6.013 -10.556 1.00 61.43 O ATOM 430 CB LEU A 422 -2.991 -5.534 -8.125 1.00 65.53 C ATOM 431 CG LEU A 422 -2.764 -6.669 -7.074 1.00 64.40 C ATOM 432 CD1 LEU A 422 -1.974 -6.238 -5.825 1.00 34.22 C ATOM 433 CD2 LEU A 422 -4.092 -7.256 -6.612 1.00 5.20 C ATOM 0 H LEU A 422 -2.709 -3.136 -7.913 1.00 14.41 H new ATOM 0 HA LEU A 422 -0.853 -5.251 -8.153 1.00 1.31 H new ATOM 0 HB2 LEU A 422 -3.664 -4.796 -7.689 1.00 65.53 H new ATOM 0 HB3 LEU A 422 -3.504 -5.964 -8.985 1.00 65.53 H new ATOM 0 HG LEU A 422 -2.163 -7.410 -7.602 1.00 64.40 H new ATOM 0 HD11 LEU A 422 -1.865 -7.089 -5.152 1.00 34.22 H new ATOM 0 HD12 LEU A 422 -0.988 -5.882 -6.123 1.00 34.22 H new ATOM 0 HD13 LEU A 422 -2.509 -5.438 -5.314 1.00 34.22 H new ATOM 0 HD21 LEU A 422 -3.907 -8.043 -5.881 1.00 5.20 H new ATOM 0 HD22 LEU A 422 -4.697 -6.472 -6.156 1.00 5.20 H new ATOM 0 HD23 LEU A 422 -4.623 -7.673 -7.468 1.00 5.20 H new ATOM 445 N GLN A 423 -1.645 -3.896 -11.036 1.00 73.40 N ATOM 446 CA GLN A 423 -1.624 -4.057 -12.513 1.00 42.14 C ATOM 447 C GLN A 423 -0.158 -4.047 -13.057 1.00 25.14 C ATOM 448 O GLN A 423 0.103 -4.579 -14.138 1.00 5.25 O ATOM 449 CB GLN A 423 -2.478 -2.963 -13.265 1.00 33.13 C ATOM 450 CG GLN A 423 -2.768 -3.245 -14.760 1.00 21.34 C ATOM 451 CD GLN A 423 -3.674 -2.193 -15.369 1.00 15.35 C ATOM 452 OE1 GLN A 423 -3.664 -1.025 -14.975 1.00 13.12 O ATOM 453 NE2 GLN A 423 -4.472 -2.602 -16.336 1.00 32.40 N ATOM 0 H GLN A 423 -1.821 -2.942 -10.722 1.00 73.40 H new ATOM 0 HA GLN A 423 -2.082 -5.025 -12.716 1.00 42.14 H new ATOM 0 HB2 GLN A 423 -3.429 -2.851 -12.745 1.00 33.13 H new ATOM 0 HB3 GLN A 423 -1.958 -2.008 -13.189 1.00 33.13 H new ATOM 0 HG2 GLN A 423 -1.829 -3.278 -15.312 1.00 21.34 H new ATOM 0 HG3 GLN A 423 -3.232 -4.226 -14.861 1.00 21.34 H new ATOM 0 HE21 GLN A 423 -4.452 -3.577 -16.636 1.00 32.40 H new ATOM 0 HE22 GLN A 423 -5.109 -1.943 -16.784 1.00 32.40 H new ATOM 462 N MET A 424 0.811 -3.504 -12.271 1.00 22.14 N ATOM 463 CA MET A 424 2.183 -3.232 -12.789 1.00 65.30 C ATOM 464 C MET A 424 3.036 -4.523 -12.825 1.00 73.11 C ATOM 465 O MET A 424 3.719 -4.792 -13.814 1.00 24.21 O ATOM 466 CB MET A 424 2.880 -2.091 -11.969 1.00 31.43 C ATOM 467 CG MET A 424 4.006 -1.321 -12.709 1.00 75.32 C ATOM 468 SD MET A 424 5.534 -2.258 -12.913 1.00 64.21 S ATOM 469 CE MET A 424 6.419 -1.195 -14.049 1.00 3.33 C ATOM 0 H MET A 424 0.673 -3.249 -11.293 1.00 22.14 H new ATOM 0 HA MET A 424 2.091 -2.881 -13.817 1.00 65.30 H new ATOM 0 HB2 MET A 424 2.119 -1.375 -11.659 1.00 31.43 H new ATOM 0 HB3 MET A 424 3.298 -2.525 -11.061 1.00 31.43 H new ATOM 0 HG2 MET A 424 3.642 -1.024 -13.692 1.00 75.32 H new ATOM 0 HG3 MET A 424 4.225 -0.405 -12.160 1.00 75.32 H new ATOM 0 HE1 MET A 424 7.390 -1.635 -14.277 1.00 3.33 H new ATOM 0 HE2 MET A 424 5.844 -1.087 -14.969 1.00 3.33 H new ATOM 0 HE3 MET A 424 6.563 -0.215 -13.594 1.00 3.33 H new ATOM 479 N PHE A 425 2.952 -5.331 -11.770 1.00 34.20 N ATOM 480 CA PHE A 425 3.643 -6.607 -11.691 1.00 52.24 C ATOM 481 C PHE A 425 2.722 -7.745 -12.160 1.00 25.12 C ATOM 482 O PHE A 425 3.054 -8.910 -11.954 1.00 53.51 O ATOM 483 CB PHE A 425 4.251 -6.876 -10.288 1.00 71.52 C ATOM 484 CG PHE A 425 5.409 -5.977 -9.839 1.00 10.02 C ATOM 485 CD1 PHE A 425 5.295 -4.577 -9.768 1.00 3.51 C ATOM 486 CD2 PHE A 425 6.618 -6.544 -9.447 1.00 53.04 C ATOM 487 CE1 PHE A 425 6.352 -3.799 -9.333 1.00 61.13 C ATOM 488 CE2 PHE A 425 7.658 -5.758 -9.005 1.00 13.32 C ATOM 489 CZ PHE A 425 7.531 -4.388 -8.955 1.00 70.21 C ATOM 0 H PHE A 425 2.397 -5.113 -10.942 1.00 34.20 H new ATOM 0 HA PHE A 425 4.495 -6.563 -12.370 1.00 52.24 H new ATOM 0 HB2 PHE A 425 3.452 -6.789 -9.552 1.00 71.52 H new ATOM 0 HB3 PHE A 425 4.597 -7.909 -10.263 1.00 71.52 H new ATOM 0 HD1 PHE A 425 4.369 -4.103 -10.057 1.00 3.51 H new ATOM 0 HD2 PHE A 425 6.742 -7.616 -9.490 1.00 53.04 H new ATOM 0 HE1 PHE A 425 6.249 -2.725 -9.291 1.00 61.13 H new ATOM 0 HE2 PHE A 425 8.583 -6.221 -8.694 1.00 13.32 H new ATOM 0 HZ PHE A 425 8.357 -3.779 -8.619 1.00 70.21 H new ATOM 499 N MET A 426 1.520 -7.414 -12.733 1.00 4.21 N ATOM 500 CA MET A 426 0.593 -8.461 -13.189 1.00 14.01 C ATOM 501 C MET A 426 1.233 -9.291 -14.345 1.00 44.10 C ATOM 502 O MET A 426 1.004 -10.500 -14.406 1.00 2.34 O ATOM 503 CB MET A 426 -0.769 -7.899 -13.599 1.00 13.10 C ATOM 504 CG MET A 426 -1.845 -8.160 -12.543 1.00 51.24 C ATOM 505 SD MET A 426 -2.218 -9.917 -12.364 1.00 4.03 S ATOM 506 CE MET A 426 -2.350 -10.071 -10.586 1.00 72.33 C ATOM 0 H MET A 426 1.194 -6.459 -12.879 1.00 4.21 H new ATOM 0 HA MET A 426 0.412 -9.124 -12.343 1.00 14.01 H new ATOM 0 HB2 MET A 426 -0.681 -6.826 -13.768 1.00 13.10 H new ATOM 0 HB3 MET A 426 -1.075 -8.346 -14.545 1.00 13.10 H new ATOM 0 HG2 MET A 426 -1.514 -7.762 -11.584 1.00 51.24 H new ATOM 0 HG3 MET A 426 -2.754 -7.624 -12.814 1.00 51.24 H new ATOM 0 HE1 MET A 426 -3.118 -10.804 -10.340 1.00 72.33 H new ATOM 0 HE2 MET A 426 -1.393 -10.396 -10.177 1.00 72.33 H new ATOM 0 HE3 MET A 426 -2.619 -9.106 -10.156 1.00 72.33 H new ATOM 516 N PRO A 427 2.059 -8.678 -15.300 1.00 12.00 N ATOM 517 CA PRO A 427 2.926 -9.476 -16.186 1.00 34.44 C ATOM 518 C PRO A 427 4.253 -9.939 -15.533 1.00 33.25 C ATOM 519 O PRO A 427 4.763 -10.999 -15.894 1.00 51.14 O ATOM 520 CB PRO A 427 3.226 -8.559 -17.377 1.00 61.22 C ATOM 521 CG PRO A 427 2.671 -7.209 -17.079 1.00 4.34 C ATOM 522 CD PRO A 427 2.130 -7.234 -15.674 1.00 60.43 C ATOM 0 HA PRO A 427 2.416 -10.401 -16.456 1.00 34.44 H new ATOM 0 HB2 PRO A 427 4.301 -8.498 -17.548 1.00 61.22 H new ATOM 0 HB3 PRO A 427 2.780 -8.960 -18.287 1.00 61.22 H new ATOM 0 HG2 PRO A 427 3.445 -6.448 -17.177 1.00 4.34 H new ATOM 0 HG3 PRO A 427 1.883 -6.955 -17.788 1.00 4.34 H new ATOM 0 HD2 PRO A 427 2.780 -6.684 -14.993 1.00 60.43 H new ATOM 0 HD3 PRO A 427 1.147 -6.767 -15.624 1.00 60.43 H new ATOM 530 N PHE A 428 4.808 -9.150 -14.588 1.00 0.14 N ATOM 531 CA PHE A 428 6.051 -9.523 -13.857 1.00 71.54 C ATOM 532 C PHE A 428 5.858 -10.667 -12.780 1.00 21.02 C ATOM 533 O PHE A 428 6.709 -10.783 -11.883 1.00 23.44 O ATOM 534 CB PHE A 428 6.805 -8.263 -13.234 1.00 55.54 C ATOM 535 CG PHE A 428 7.360 -7.265 -14.249 1.00 62.25 C ATOM 536 CD1 PHE A 428 8.067 -7.709 -15.358 1.00 14.14 C ATOM 537 CD2 PHE A 428 7.212 -5.876 -14.082 1.00 23.50 C ATOM 538 CE1 PHE A 428 8.599 -6.820 -16.274 1.00 31.32 C ATOM 539 CE2 PHE A 428 7.747 -4.987 -15.009 1.00 70.44 C ATOM 540 CZ PHE A 428 8.437 -5.464 -16.098 1.00 21.35 C ATOM 0 H PHE A 428 4.419 -8.249 -14.309 1.00 0.14 H new ATOM 0 HA PHE A 428 6.694 -9.946 -14.629 1.00 71.54 H new ATOM 0 HB2 PHE A 428 6.115 -7.738 -12.573 1.00 55.54 H new ATOM 0 HB3 PHE A 428 7.628 -8.622 -12.616 1.00 55.54 H new ATOM 0 HD1 PHE A 428 8.204 -8.770 -15.508 1.00 14.14 H new ATOM 0 HD2 PHE A 428 6.677 -5.495 -13.224 1.00 23.50 H new ATOM 0 HE1 PHE A 428 9.143 -7.190 -17.130 1.00 31.32 H new ATOM 0 HE2 PHE A 428 7.620 -3.923 -14.873 1.00 70.44 H new ATOM 0 HZ PHE A 428 8.853 -4.774 -16.817 1.00 21.35 H new ATOM 550 N GLY A 429 4.764 -11.519 -12.844 1.00 4.33 N ATOM 551 CA GLY A 429 4.682 -12.675 -11.921 1.00 4.34 C ATOM 552 C GLY A 429 3.532 -12.684 -10.815 1.00 32.21 C ATOM 553 O GLY A 429 2.562 -11.939 -10.929 1.00 45.22 O ATOM 0 H GLY A 429 3.982 -11.420 -13.491 1.00 4.33 H new ATOM 0 HA2 GLY A 429 4.568 -13.575 -12.526 1.00 4.34 H new ATOM 0 HA3 GLY A 429 5.639 -12.756 -11.405 1.00 4.34 H new ATOM 557 N ASN A 430 3.667 -13.595 -9.763 1.00 13.44 N ATOM 558 CA ASN A 430 2.685 -13.819 -8.607 1.00 42.40 C ATOM 559 C ASN A 430 2.426 -12.517 -7.700 1.00 22.53 C ATOM 560 O ASN A 430 3.396 -11.949 -7.188 1.00 22.14 O ATOM 561 CB ASN A 430 3.257 -14.978 -7.711 1.00 51.34 C ATOM 562 CG ASN A 430 2.345 -15.384 -6.547 1.00 42.25 C ATOM 563 OD1 ASN A 430 1.133 -15.167 -6.570 1.00 12.22 O ATOM 564 ND2 ASN A 430 2.924 -16.065 -5.564 1.00 44.31 N ATOM 0 H ASN A 430 4.480 -14.207 -9.695 1.00 13.44 H new ATOM 0 HA ASN A 430 1.718 -14.070 -9.043 1.00 42.40 H new ATOM 0 HB2 ASN A 430 3.437 -15.851 -8.338 1.00 51.34 H new ATOM 0 HB3 ASN A 430 4.222 -14.669 -7.310 1.00 51.34 H new ATOM 0 HD21 ASN A 430 2.361 -16.428 -4.794 1.00 44.31 H new ATOM 0 HD22 ASN A 430 3.931 -16.225 -5.579 1.00 44.31 H new ATOM 571 N VAL A 431 1.122 -12.046 -7.493 1.00 52.21 N ATOM 572 CA VAL A 431 0.802 -11.006 -6.422 1.00 24.20 C ATOM 573 C VAL A 431 0.199 -11.713 -5.169 1.00 72.43 C ATOM 574 O VAL A 431 -0.443 -12.758 -5.330 1.00 64.45 O ATOM 575 CB VAL A 431 -0.224 -9.842 -6.797 1.00 50.21 C ATOM 576 CG1 VAL A 431 0.221 -8.998 -7.968 1.00 23.35 C ATOM 577 CG2 VAL A 431 -1.686 -10.287 -7.015 1.00 13.14 C ATOM 0 H VAL A 431 0.313 -12.358 -8.031 1.00 52.21 H new ATOM 0 HA VAL A 431 1.769 -10.528 -6.265 1.00 24.20 H new ATOM 0 HB VAL A 431 -0.211 -9.233 -5.893 1.00 50.21 H new ATOM 0 HG11 VAL A 431 -0.525 -8.228 -8.166 1.00 23.35 H new ATOM 0 HG12 VAL A 431 1.176 -8.527 -7.735 1.00 23.35 H new ATOM 0 HG13 VAL A 431 0.333 -9.629 -8.850 1.00 23.35 H new ATOM 0 HG21 VAL A 431 -2.297 -9.420 -7.265 1.00 13.14 H new ATOM 0 HG22 VAL A 431 -1.729 -11.008 -7.831 1.00 13.14 H new ATOM 0 HG23 VAL A 431 -2.066 -10.748 -6.103 1.00 13.14 H new ATOM 587 N ILE A 432 0.423 -11.227 -3.912 1.00 75.31 N ATOM 588 CA ILE A 432 -0.490 -11.713 -2.788 1.00 60.32 C ATOM 589 C ILE A 432 -1.314 -10.533 -2.175 1.00 4.31 C ATOM 590 O ILE A 432 -2.543 -10.587 -2.227 1.00 54.44 O ATOM 591 CB ILE A 432 0.153 -12.714 -1.679 1.00 14.25 C ATOM 592 CG1 ILE A 432 1.276 -13.634 -2.290 1.00 41.00 C ATOM 593 CG2 ILE A 432 -0.923 -13.654 -1.061 1.00 33.53 C ATOM 594 CD1 ILE A 432 1.633 -14.936 -1.499 1.00 71.13 C ATOM 0 H ILE A 432 1.150 -10.562 -3.647 1.00 75.31 H new ATOM 0 HA ILE A 432 -1.181 -12.391 -3.289 1.00 60.32 H new ATOM 0 HB ILE A 432 0.578 -12.063 -0.914 1.00 14.25 H new ATOM 0 HG12 ILE A 432 0.969 -13.921 -3.296 1.00 41.00 H new ATOM 0 HG13 ILE A 432 2.184 -13.039 -2.392 1.00 41.00 H new ATOM 0 HG21 ILE A 432 -0.455 -14.308 -0.325 1.00 33.53 H new ATOM 0 HG22 ILE A 432 -1.694 -13.055 -0.577 1.00 33.53 H new ATOM 0 HG23 ILE A 432 -1.374 -14.258 -1.848 1.00 33.53 H new ATOM 0 HD11 ILE A 432 2.419 -15.478 -2.026 1.00 71.13 H new ATOM 0 HD12 ILE A 432 1.981 -14.671 -0.501 1.00 71.13 H new ATOM 0 HD13 ILE A 432 0.748 -15.567 -1.419 1.00 71.13 H new ATOM 606 N SER A 433 -0.671 -9.451 -1.627 1.00 44.34 N ATOM 607 CA SER A 433 -1.472 -8.246 -1.098 1.00 25.00 C ATOM 608 C SER A 433 -0.737 -6.859 -1.214 1.00 14.15 C ATOM 609 O SER A 433 0.495 -6.839 -1.335 1.00 4.40 O ATOM 610 CB SER A 433 -1.836 -8.409 0.400 1.00 35.33 C ATOM 611 OG SER A 433 -2.419 -9.673 0.687 1.00 13.41 O ATOM 0 H SER A 433 0.341 -9.368 -1.533 1.00 44.34 H new ATOM 0 HA SER A 433 -2.352 -8.239 -1.741 1.00 25.00 H new ATOM 0 HB2 SER A 433 -0.938 -8.282 1.004 1.00 35.33 H new ATOM 0 HB3 SER A 433 -2.529 -7.619 0.690 1.00 35.33 H new ATOM 0 HG SER A 433 -2.773 -9.670 1.601 1.00 13.41 H new ATOM 617 N ALA A 434 -1.520 -5.698 -1.154 1.00 42.32 N ATOM 618 CA ALA A 434 -0.923 -4.296 -1.027 1.00 32.11 C ATOM 619 C ALA A 434 -1.878 -3.196 -0.537 1.00 45.02 C ATOM 620 O ALA A 434 -3.099 -3.272 -0.708 1.00 54.33 O ATOM 621 CB ALA A 434 -0.307 -3.820 -2.329 1.00 52.34 C ATOM 0 H ALA A 434 -2.539 -5.709 -1.191 1.00 42.32 H new ATOM 0 HA ALA A 434 -0.169 -4.436 -0.252 1.00 32.11 H new ATOM 0 HB1 ALA A 434 0.105 -2.820 -2.193 1.00 52.34 H new ATOM 0 HB2 ALA A 434 0.489 -4.503 -2.626 1.00 52.34 H new ATOM 0 HB3 ALA A 434 -1.072 -3.795 -3.105 1.00 52.34 H new ATOM 627 N LYS A 435 -1.249 -2.162 0.096 1.00 3.21 N ATOM 628 CA LYS A 435 -1.924 -0.965 0.645 1.00 35.25 C ATOM 629 C LYS A 435 -0.888 0.214 0.702 1.00 11.30 C ATOM 630 O LYS A 435 0.210 0.017 1.238 1.00 74.00 O ATOM 631 CB LYS A 435 -2.497 -1.258 2.067 1.00 24.53 C ATOM 632 CG LYS A 435 -1.847 -2.444 2.811 1.00 60.32 C ATOM 633 CD LYS A 435 -2.345 -2.581 4.248 1.00 14.21 C ATOM 634 CE LYS A 435 -1.887 -1.422 5.137 1.00 41.54 C ATOM 635 NZ LYS A 435 -2.243 -1.634 6.577 1.00 11.22 N ATOM 0 H LYS A 435 -0.239 -2.145 0.237 1.00 3.21 H new ATOM 0 HA LYS A 435 -2.760 -0.690 0.002 1.00 35.25 H new ATOM 0 HB2 LYS A 435 -2.384 -0.362 2.677 1.00 24.53 H new ATOM 0 HB3 LYS A 435 -3.566 -1.450 1.977 1.00 24.53 H new ATOM 0 HG2 LYS A 435 -2.056 -3.366 2.269 1.00 60.32 H new ATOM 0 HG3 LYS A 435 -0.765 -2.315 2.816 1.00 60.32 H new ATOM 0 HD2 LYS A 435 -3.434 -2.628 4.249 1.00 14.21 H new ATOM 0 HD3 LYS A 435 -1.985 -3.521 4.667 1.00 14.21 H new ATOM 0 HE2 LYS A 435 -0.807 -1.302 5.046 1.00 41.54 H new ATOM 0 HE3 LYS A 435 -2.342 -0.496 4.785 1.00 41.54 H new ATOM 0 HZ1 LYS A 435 -2.347 -0.713 7.048 1.00 11.22 H new ATOM 0 HZ2 LYS A 435 -3.139 -2.158 6.640 1.00 11.22 H new ATOM 0 HZ3 LYS A 435 -1.490 -2.178 7.044 1.00 11.22 H new ATOM 649 N VAL A 436 -1.212 1.422 0.157 1.00 24.15 N ATOM 650 CA VAL A 436 -0.277 2.594 0.223 1.00 74.12 C ATOM 651 C VAL A 436 -0.416 3.281 1.583 1.00 44.51 C ATOM 652 O VAL A 436 -1.503 3.795 1.874 1.00 54.31 O ATOM 653 CB VAL A 436 -0.484 3.696 -0.935 1.00 43.43 C ATOM 654 CG1 VAL A 436 0.523 3.549 -2.068 1.00 63.44 C ATOM 655 CG2 VAL A 436 -1.870 3.725 -1.571 1.00 13.21 C ATOM 0 H VAL A 436 -2.092 1.612 -0.323 1.00 24.15 H new ATOM 0 HA VAL A 436 0.719 2.178 0.073 1.00 74.12 H new ATOM 0 HB VAL A 436 -0.338 4.630 -0.392 1.00 43.43 H new ATOM 0 HG11 VAL A 436 0.339 4.316 -2.821 1.00 63.44 H new ATOM 0 HG12 VAL A 436 1.533 3.663 -1.674 1.00 63.44 H new ATOM 0 HG13 VAL A 436 0.419 2.563 -2.521 1.00 63.44 H new ATOM 0 HG21 VAL A 436 -1.903 4.500 -2.336 1.00 13.21 H new ATOM 0 HG22 VAL A 436 -2.082 2.757 -2.026 1.00 13.21 H new ATOM 0 HG23 VAL A 436 -2.617 3.938 -0.806 1.00 13.21 H new ATOM 665 N PHE A 437 0.638 3.269 2.468 1.00 75.25 N ATOM 666 CA PHE A 437 0.551 4.101 3.644 1.00 72.34 C ATOM 667 C PHE A 437 0.901 5.556 3.249 1.00 30.51 C ATOM 668 O PHE A 437 2.061 5.934 3.054 1.00 73.12 O ATOM 669 CB PHE A 437 1.369 3.518 4.860 1.00 4.10 C ATOM 670 CG PHE A 437 2.890 3.495 4.816 1.00 60.03 C ATOM 671 CD1 PHE A 437 3.594 2.514 4.118 1.00 31.13 C ATOM 672 CD2 PHE A 437 3.613 4.419 5.558 1.00 64.21 C ATOM 673 CE1 PHE A 437 4.977 2.474 4.155 1.00 32.34 C ATOM 674 CE2 PHE A 437 4.989 4.373 5.607 1.00 33.42 C ATOM 675 CZ PHE A 437 5.674 3.403 4.909 1.00 22.11 C ATOM 0 H PHE A 437 1.491 2.718 2.371 1.00 75.25 H new ATOM 0 HA PHE A 437 -0.471 4.109 4.024 1.00 72.34 H new ATOM 0 HB2 PHE A 437 1.079 4.083 5.746 1.00 4.10 H new ATOM 0 HB3 PHE A 437 1.034 2.492 5.013 1.00 4.10 H new ATOM 0 HD1 PHE A 437 3.054 1.777 3.542 1.00 31.13 H new ATOM 0 HD2 PHE A 437 3.088 5.187 6.106 1.00 64.21 H new ATOM 0 HE1 PHE A 437 5.512 1.720 3.597 1.00 32.34 H new ATOM 0 HE2 PHE A 437 5.532 5.099 6.194 1.00 33.42 H new ATOM 0 HZ PHE A 437 6.753 3.367 4.950 1.00 22.11 H new ATOM 846 N PHE A 448 4.141 5.717 0.086 1.00 22.30 N ATOM 847 CA PHE A 448 5.020 4.576 0.352 1.00 52.54 C ATOM 848 C PHE A 448 4.188 3.243 0.357 1.00 62.03 C ATOM 849 O PHE A 448 3.170 3.166 1.024 1.00 61.33 O ATOM 850 CB PHE A 448 5.753 4.880 1.699 1.00 62.21 C ATOM 851 CG PHE A 448 7.270 4.762 1.659 1.00 41.40 C ATOM 852 CD1 PHE A 448 7.900 3.521 1.588 1.00 1.43 C ATOM 853 CD2 PHE A 448 8.078 5.908 1.690 1.00 72.33 C ATOM 854 CE1 PHE A 448 9.282 3.429 1.545 1.00 72.32 C ATOM 855 CE2 PHE A 448 9.457 5.809 1.651 1.00 41.43 C ATOM 856 CZ PHE A 448 10.057 4.571 1.572 1.00 53.21 C ATOM 0 HA PHE A 448 5.771 4.434 -0.425 1.00 52.54 H new ATOM 0 HB2 PHE A 448 5.493 5.890 2.015 1.00 62.21 H new ATOM 0 HB3 PHE A 448 5.373 4.200 2.461 1.00 62.21 H new ATOM 0 HD1 PHE A 448 7.304 2.620 1.566 1.00 1.43 H new ATOM 0 HD2 PHE A 448 7.616 6.883 1.745 1.00 72.33 H new ATOM 0 HE1 PHE A 448 9.755 2.460 1.490 1.00 72.32 H new ATOM 0 HE2 PHE A 448 10.064 6.702 1.682 1.00 41.43 H new ATOM 0 HZ PHE A 448 11.133 4.494 1.531 1.00 53.21 H new ATOM 866 N GLY A 449 4.608 2.231 -0.442 1.00 4.35 N ATOM 867 CA GLY A 449 3.853 0.917 -0.585 1.00 41.33 C ATOM 868 C GLY A 449 4.704 -0.347 -0.282 1.00 74.41 C ATOM 869 O GLY A 449 5.913 -0.218 -0.223 1.00 21.54 O ATOM 0 H GLY A 449 5.459 2.279 -1.003 1.00 4.35 H new ATOM 0 HA2 GLY A 449 2.993 0.931 0.085 1.00 41.33 H new ATOM 0 HA3 GLY A 449 3.464 0.844 -1.601 1.00 41.33 H new ATOM 873 N PHE A 450 4.090 -1.579 -0.125 1.00 4.43 N ATOM 874 CA PHE A 450 4.904 -2.864 0.084 1.00 42.44 C ATOM 875 C PHE A 450 4.171 -4.136 -0.445 1.00 61.21 C ATOM 876 O PHE A 450 2.939 -4.095 -0.549 1.00 34.11 O ATOM 877 CB PHE A 450 5.369 -3.061 1.566 1.00 41.22 C ATOM 878 CG PHE A 450 4.316 -3.055 2.691 1.00 20.22 C ATOM 879 CD1 PHE A 450 3.333 -4.046 2.817 1.00 54.34 C ATOM 880 CD2 PHE A 450 4.323 -2.031 3.639 1.00 1.51 C ATOM 881 CE1 PHE A 450 2.402 -4.006 3.844 1.00 71.20 C ATOM 882 CE2 PHE A 450 3.393 -1.991 4.659 1.00 31.24 C ATOM 883 CZ PHE A 450 2.431 -2.970 4.759 1.00 32.33 C ATOM 0 H PHE A 450 3.079 -1.717 -0.137 1.00 4.43 H new ATOM 0 HA PHE A 450 5.802 -2.731 -0.519 1.00 42.44 H new ATOM 0 HB2 PHE A 450 5.901 -4.011 1.619 1.00 41.22 H new ATOM 0 HB3 PHE A 450 6.093 -2.277 1.790 1.00 41.22 H new ATOM 0 HD1 PHE A 450 3.300 -4.855 2.102 1.00 54.34 H new ATOM 0 HD2 PHE A 450 5.071 -1.254 3.574 1.00 1.51 H new ATOM 0 HE1 PHE A 450 1.656 -4.782 3.929 1.00 71.20 H new ATOM 0 HE2 PHE A 450 3.421 -1.188 5.381 1.00 31.24 H new ATOM 0 HZ PHE A 450 1.699 -2.929 5.552 1.00 32.33 H new ATOM 893 N VAL A 451 4.889 -5.297 -0.768 1.00 14.23 N ATOM 894 CA VAL A 451 4.123 -6.469 -1.365 1.00 24.45 C ATOM 895 C VAL A 451 4.782 -7.879 -1.155 1.00 42.24 C ATOM 896 O VAL A 451 5.973 -7.978 -0.841 1.00 14.33 O ATOM 897 CB VAL A 451 3.747 -6.150 -2.889 1.00 63.34 C ATOM 898 CG1 VAL A 451 4.961 -5.682 -3.649 1.00 32.30 C ATOM 899 CG2 VAL A 451 3.082 -7.300 -3.689 1.00 31.43 C ATOM 0 H VAL A 451 5.892 -5.434 -0.639 1.00 14.23 H new ATOM 0 HA VAL A 451 3.200 -6.565 -0.794 1.00 24.45 H new ATOM 0 HB VAL A 451 2.990 -5.370 -2.804 1.00 63.34 H new ATOM 0 HG11 VAL A 451 4.684 -5.471 -4.682 1.00 32.30 H new ATOM 0 HG12 VAL A 451 5.354 -4.777 -3.186 1.00 32.30 H new ATOM 0 HG13 VAL A 451 5.724 -6.460 -3.630 1.00 32.30 H new ATOM 0 HG21 VAL A 451 2.875 -6.964 -4.705 1.00 31.43 H new ATOM 0 HG22 VAL A 451 3.754 -8.158 -3.720 1.00 31.43 H new ATOM 0 HG23 VAL A 451 2.149 -7.588 -3.205 1.00 31.43 H new ATOM 909 N SER A 452 3.947 -8.967 -1.315 1.00 71.23 N ATOM 910 CA SER A 452 4.270 -10.346 -0.996 1.00 12.22 C ATOM 911 C SER A 452 4.642 -11.118 -2.292 1.00 61.44 C ATOM 912 O SER A 452 3.830 -11.127 -3.220 1.00 65.51 O ATOM 913 CB SER A 452 2.961 -10.954 -0.406 1.00 64.44 C ATOM 914 OG SER A 452 3.219 -11.941 0.576 1.00 52.01 O ATOM 0 H SER A 452 3.002 -8.867 -1.686 1.00 71.23 H new ATOM 0 HA SER A 452 5.111 -10.410 -0.305 1.00 12.22 H new ATOM 0 HB2 SER A 452 2.359 -10.158 0.032 1.00 64.44 H new ATOM 0 HB3 SER A 452 2.372 -11.392 -1.212 1.00 64.44 H new ATOM 0 HG SER A 452 2.370 -12.292 0.918 1.00 52.01 H new ATOM 920 N TYR A 453 5.844 -11.772 -2.385 1.00 53.30 N ATOM 921 CA TYR A 453 6.148 -12.581 -3.608 1.00 42.14 C ATOM 922 C TYR A 453 6.711 -13.971 -3.173 1.00 4.24 C ATOM 923 O TYR A 453 7.559 -13.947 -2.271 1.00 70.11 O ATOM 924 CB TYR A 453 7.117 -11.765 -4.594 1.00 51.42 C ATOM 925 CG TYR A 453 7.177 -12.292 -6.056 1.00 24.33 C ATOM 926 CD1 TYR A 453 7.477 -13.622 -6.417 1.00 2.31 C ATOM 927 CD2 TYR A 453 6.878 -11.420 -7.101 1.00 41.30 C ATOM 928 CE1 TYR A 453 7.475 -14.025 -7.750 1.00 4.24 C ATOM 929 CE2 TYR A 453 6.870 -11.805 -8.397 1.00 10.51 C ATOM 930 CZ TYR A 453 7.165 -13.107 -8.738 1.00 35.15 C ATOM 931 OH TYR A 453 7.155 -13.490 -10.060 1.00 33.21 O ATOM 0 H TYR A 453 6.576 -11.759 -1.675 1.00 53.30 H new ATOM 0 HA TYR A 453 5.241 -12.770 -4.182 1.00 42.14 H new ATOM 0 HB2 TYR A 453 6.794 -10.724 -4.614 1.00 51.42 H new ATOM 0 HB3 TYR A 453 8.125 -11.779 -4.179 1.00 51.42 H new ATOM 0 HD1 TYR A 453 7.712 -14.341 -5.646 1.00 2.31 H new ATOM 0 HD2 TYR A 453 6.643 -10.393 -6.866 1.00 41.30 H new ATOM 0 HE1 TYR A 453 7.713 -15.046 -8.011 1.00 4.24 H new ATOM 0 HE2 TYR A 453 6.631 -11.088 -9.169 1.00 10.51 H new ATOM 0 HH TYR A 453 6.454 -14.160 -10.201 1.00 33.21 H new ATOM 941 N ASP A 454 6.197 -15.167 -3.780 1.00 72.24 N ATOM 942 CA ASP A 454 6.680 -16.572 -3.452 1.00 12.13 C ATOM 943 C ASP A 454 7.963 -16.692 -2.608 1.00 4.01 C ATOM 944 O ASP A 454 7.893 -16.895 -1.388 1.00 3.44 O ATOM 945 CB ASP A 454 6.941 -17.405 -4.719 1.00 23.11 C ATOM 946 CG ASP A 454 5.683 -17.844 -5.419 1.00 51.22 C ATOM 947 OD1 ASP A 454 4.950 -18.679 -4.857 1.00 12.22 O ATOM 948 OD2 ASP A 454 5.425 -17.350 -6.530 1.00 74.31 O ATOM 0 H ASP A 454 5.460 -15.151 -4.485 1.00 72.24 H new ATOM 0 HA ASP A 454 5.847 -16.942 -2.855 1.00 12.13 H new ATOM 0 HB2 ASP A 454 7.547 -16.820 -5.411 1.00 23.11 H new ATOM 0 HB3 ASP A 454 7.525 -18.286 -4.451 1.00 23.11 H new ATOM 953 N ASN A 455 9.130 -16.584 -3.276 1.00 52.11 N ATOM 954 CA ASN A 455 10.428 -16.741 -2.630 1.00 53.12 C ATOM 955 C ASN A 455 11.500 -15.937 -3.398 1.00 75.11 C ATOM 956 O ASN A 455 11.454 -15.896 -4.632 1.00 53.24 O ATOM 957 CB ASN A 455 10.782 -18.232 -2.584 1.00 73.22 C ATOM 958 CG ASN A 455 11.490 -18.625 -1.297 1.00 10.40 C ATOM 959 OD1 ASN A 455 12.716 -18.684 -1.237 1.00 72.41 O ATOM 960 ND2 ASN A 455 10.701 -18.872 -0.255 1.00 51.43 N ATOM 0 H ASN A 455 9.188 -16.386 -4.275 1.00 52.11 H new ATOM 0 HA ASN A 455 10.389 -16.356 -1.611 1.00 53.12 H new ATOM 0 HB2 ASN A 455 9.871 -18.821 -2.688 1.00 73.22 H new ATOM 0 HB3 ASN A 455 11.419 -18.477 -3.434 1.00 73.22 H new ATOM 0 HD21 ASN A 455 11.109 -19.124 0.645 1.00 51.43 H new ATOM 0 HD22 ASN A 455 9.688 -18.810 -0.356 1.00 51.43 H new ATOM 967 N PRO A 456 12.412 -15.217 -2.669 1.00 61.33 N ATOM 968 CA PRO A 456 13.502 -14.343 -3.239 1.00 31.44 C ATOM 969 C PRO A 456 14.261 -14.714 -4.578 1.00 34.11 C ATOM 970 O PRO A 456 14.823 -13.793 -5.187 1.00 32.50 O ATOM 971 CB PRO A 456 14.516 -14.283 -2.093 1.00 34.40 C ATOM 972 CG PRO A 456 13.771 -14.570 -0.816 1.00 22.31 C ATOM 973 CD PRO A 456 12.385 -15.045 -1.172 1.00 71.45 C ATOM 0 HA PRO A 456 13.008 -13.430 -3.570 1.00 31.44 H new ATOM 0 HB2 PRO A 456 15.311 -15.013 -2.246 1.00 34.40 H new ATOM 0 HB3 PRO A 456 14.988 -13.302 -2.049 1.00 34.40 H new ATOM 0 HG2 PRO A 456 14.294 -15.328 -0.234 1.00 22.31 H new ATOM 0 HG3 PRO A 456 13.718 -13.674 -0.198 1.00 22.31 H new ATOM 0 HD2 PRO A 456 12.147 -15.983 -0.670 1.00 71.45 H new ATOM 0 HD3 PRO A 456 11.628 -14.321 -0.870 1.00 71.45 H new ATOM 981 N VAL A 457 14.299 -15.986 -5.068 1.00 21.11 N ATOM 982 CA VAL A 457 15.137 -16.291 -6.266 1.00 14.34 C ATOM 983 C VAL A 457 14.477 -15.883 -7.629 1.00 34.31 C ATOM 984 O VAL A 457 15.183 -15.866 -8.628 1.00 53.23 O ATOM 985 CB VAL A 457 15.826 -17.737 -6.358 1.00 3.22 C ATOM 986 CG1 VAL A 457 17.045 -17.858 -5.441 1.00 73.03 C ATOM 987 CG2 VAL A 457 14.910 -18.923 -6.092 1.00 23.30 C ATOM 0 H VAL A 457 13.789 -16.779 -4.678 1.00 21.11 H new ATOM 0 HA VAL A 457 15.979 -15.625 -6.077 1.00 14.34 H new ATOM 0 HB VAL A 457 16.122 -17.791 -7.406 1.00 3.22 H new ATOM 0 HG11 VAL A 457 17.476 -18.854 -5.539 1.00 73.03 H new ATOM 0 HG12 VAL A 457 17.788 -17.112 -5.723 1.00 73.03 H new ATOM 0 HG13 VAL A 457 16.740 -17.694 -4.407 1.00 73.03 H new ATOM 0 HG21 VAL A 457 15.479 -19.849 -6.180 1.00 23.30 H new ATOM 0 HG22 VAL A 457 14.497 -18.845 -5.086 1.00 23.30 H new ATOM 0 HG23 VAL A 457 14.098 -18.925 -6.819 1.00 23.30 H new ATOM 997 N SER A 458 13.146 -15.540 -7.710 1.00 70.54 N ATOM 998 CA SER A 458 12.631 -14.940 -8.957 1.00 24.34 C ATOM 999 C SER A 458 12.815 -13.393 -8.915 1.00 5.44 C ATOM 1000 O SER A 458 12.909 -12.756 -9.969 1.00 42.10 O ATOM 1001 CB SER A 458 11.110 -15.278 -9.303 1.00 22.51 C ATOM 1002 OG SER A 458 10.699 -14.636 -10.500 1.00 15.42 O ATOM 0 H SER A 458 12.460 -15.665 -6.966 1.00 70.54 H new ATOM 0 HA SER A 458 13.222 -15.395 -9.752 1.00 24.34 H new ATOM 0 HB2 SER A 458 10.989 -16.356 -9.406 1.00 22.51 H new ATOM 0 HB3 SER A 458 10.469 -14.963 -8.480 1.00 22.51 H new ATOM 0 HG SER A 458 9.764 -14.862 -10.688 1.00 15.42 H new ATOM 1008 N ALA A 459 12.917 -12.786 -7.690 1.00 53.22 N ATOM 1009 CA ALA A 459 12.530 -11.395 -7.503 1.00 42.33 C ATOM 1010 C ALA A 459 13.425 -10.315 -8.128 1.00 52.31 C ATOM 1011 O ALA A 459 12.890 -9.301 -8.583 1.00 24.03 O ATOM 1012 CB ALA A 459 12.293 -11.101 -6.013 1.00 72.05 C ATOM 0 H ALA A 459 13.260 -13.249 -6.848 1.00 53.22 H new ATOM 0 HA ALA A 459 11.608 -11.314 -8.079 1.00 42.33 H new ATOM 0 HB1 ALA A 459 12.004 -10.057 -5.890 1.00 72.05 H new ATOM 0 HB2 ALA A 459 11.497 -11.744 -5.637 1.00 72.05 H new ATOM 0 HB3 ALA A 459 13.209 -11.293 -5.454 1.00 72.05 H new ATOM 1018 N GLN A 460 14.750 -10.514 -8.164 1.00 73.12 N ATOM 1019 CA GLN A 460 15.694 -9.487 -8.658 1.00 74.11 C ATOM 1020 C GLN A 460 15.448 -9.083 -10.146 1.00 40.05 C ATOM 1021 O GLN A 460 15.916 -8.021 -10.574 1.00 75.33 O ATOM 1022 CB GLN A 460 17.168 -9.885 -8.373 1.00 51.11 C ATOM 1023 CG GLN A 460 17.762 -9.321 -7.055 1.00 43.31 C ATOM 1024 CD GLN A 460 17.275 -9.967 -5.743 1.00 24.11 C ATOM 1025 OE1 GLN A 460 16.153 -10.452 -5.615 1.00 44.41 O ATOM 1026 NE2 GLN A 460 18.150 -9.984 -4.744 1.00 45.12 N ATOM 0 H GLN A 460 15.199 -11.377 -7.857 1.00 73.12 H new ATOM 0 HA GLN A 460 15.493 -8.581 -8.087 1.00 74.11 H new ATOM 0 HB2 GLN A 460 17.235 -10.973 -8.347 1.00 51.11 H new ATOM 0 HB3 GLN A 460 17.786 -9.547 -9.205 1.00 51.11 H new ATOM 0 HG2 GLN A 460 18.846 -9.420 -7.101 1.00 43.31 H new ATOM 0 HG3 GLN A 460 17.541 -8.255 -7.011 1.00 43.31 H new ATOM 0 HE21 GLN A 460 19.076 -9.576 -4.870 1.00 45.12 H new ATOM 0 HE22 GLN A 460 17.896 -10.405 -3.850 1.00 45.12 H new ATOM 1035 N ALA A 461 14.712 -9.943 -10.907 1.00 72.45 N ATOM 1036 CA ALA A 461 14.213 -9.626 -12.259 1.00 44.13 C ATOM 1037 C ALA A 461 13.398 -8.235 -12.364 1.00 43.35 C ATOM 1038 O ALA A 461 13.587 -7.532 -13.358 1.00 11.31 O ATOM 1039 CB ALA A 461 13.477 -10.874 -12.866 1.00 53.02 C ATOM 0 H ALA A 461 14.452 -10.877 -10.590 1.00 72.45 H new ATOM 0 HA ALA A 461 15.077 -9.424 -12.892 1.00 44.13 H new ATOM 0 HB1 ALA A 461 13.112 -10.631 -13.864 1.00 53.02 H new ATOM 0 HB2 ALA A 461 14.172 -11.712 -12.928 1.00 53.02 H new ATOM 0 HB3 ALA A 461 12.636 -11.146 -12.228 1.00 53.02 H new ATOM 1045 N ALA A 462 12.494 -7.809 -11.387 1.00 11.33 N ATOM 1046 CA ALA A 462 11.897 -6.401 -11.405 1.00 25.44 C ATOM 1047 C ALA A 462 12.725 -5.381 -10.597 1.00 74.35 C ATOM 1048 O ALA A 462 12.867 -4.235 -11.047 1.00 3.13 O ATOM 1049 CB ALA A 462 10.437 -6.416 -10.941 1.00 20.24 C ATOM 0 H ALA A 462 12.176 -8.392 -10.612 1.00 11.33 H new ATOM 0 HA ALA A 462 11.929 -6.068 -12.442 1.00 25.44 H new ATOM 0 HB1 ALA A 462 10.038 -5.402 -10.964 1.00 20.24 H new ATOM 0 HB2 ALA A 462 9.851 -7.052 -11.605 1.00 20.24 H new ATOM 0 HB3 ALA A 462 10.382 -6.805 -9.924 1.00 20.24 H new ATOM 1055 N ILE A 463 13.175 -5.789 -9.378 1.00 52.01 N ATOM 1056 CA ILE A 463 14.074 -4.987 -8.480 1.00 54.22 C ATOM 1057 C ILE A 463 15.211 -4.154 -9.212 1.00 65.24 C ATOM 1058 O ILE A 463 15.392 -2.990 -8.845 1.00 72.10 O ATOM 1059 CB ILE A 463 14.661 -5.851 -7.239 1.00 62.11 C ATOM 1060 CG1 ILE A 463 13.580 -6.852 -6.718 1.00 21.33 C ATOM 1061 CG2 ILE A 463 15.119 -4.962 -6.053 1.00 55.14 C ATOM 1062 CD1 ILE A 463 14.011 -7.806 -5.592 1.00 5.22 C ATOM 0 H ILE A 463 12.924 -6.694 -8.981 1.00 52.01 H new ATOM 0 HA ILE A 463 13.405 -4.231 -8.070 1.00 54.22 H new ATOM 0 HB ILE A 463 15.531 -6.385 -7.621 1.00 62.11 H new ATOM 0 HG12 ILE A 463 12.723 -6.276 -6.368 1.00 21.33 H new ATOM 0 HG13 ILE A 463 13.237 -7.452 -7.561 1.00 21.33 H new ATOM 0 HG21 ILE A 463 15.502 -5.594 -5.252 1.00 55.14 H new ATOM 0 HG22 ILE A 463 15.904 -4.284 -6.388 1.00 55.14 H new ATOM 0 HG23 ILE A 463 14.273 -4.382 -5.685 1.00 55.14 H new ATOM 0 HD11 ILE A 463 13.174 -8.449 -5.319 1.00 5.22 H new ATOM 0 HD12 ILE A 463 14.844 -8.421 -5.935 1.00 5.22 H new ATOM 0 HD13 ILE A 463 14.322 -7.226 -4.723 1.00 5.22 H new ATOM 1074 N GLN A 464 15.967 -4.691 -10.230 1.00 61.14 N ATOM 1075 CA GLN A 464 16.954 -3.858 -10.979 1.00 74.52 C ATOM 1076 C GLN A 464 16.423 -3.121 -12.288 1.00 60.31 C ATOM 1077 O GLN A 464 17.059 -2.136 -12.673 1.00 52.31 O ATOM 1078 CB GLN A 464 18.319 -4.626 -11.231 1.00 70.33 C ATOM 1079 CG GLN A 464 19.058 -5.085 -9.953 1.00 4.42 C ATOM 1080 CD GLN A 464 19.373 -3.953 -8.992 1.00 1.44 C ATOM 1081 OE1 GLN A 464 19.600 -2.809 -9.386 1.00 61.14 O ATOM 1082 NE2 GLN A 464 19.384 -4.278 -7.710 1.00 53.31 N ATOM 0 H GLN A 464 15.910 -5.662 -10.536 1.00 61.14 H new ATOM 0 HA GLN A 464 17.145 -3.031 -10.296 1.00 74.52 H new ATOM 0 HB2 GLN A 464 18.117 -5.501 -11.849 1.00 70.33 H new ATOM 0 HB3 GLN A 464 18.983 -3.978 -11.803 1.00 70.33 H new ATOM 0 HG2 GLN A 464 18.449 -5.828 -9.438 1.00 4.42 H new ATOM 0 HG3 GLN A 464 19.988 -5.577 -10.238 1.00 4.42 H new ATOM 0 HE21 GLN A 464 19.190 -5.238 -7.426 1.00 53.31 H new ATOM 0 HE22 GLN A 464 19.586 -3.568 -7.006 1.00 53.31 H new ATOM 1091 N ALA A 465 15.312 -3.554 -13.008 1.00 53.43 N ATOM 1092 CA ALA A 465 14.756 -2.725 -14.154 1.00 31.12 C ATOM 1093 C ALA A 465 14.157 -1.352 -13.701 1.00 61.00 C ATOM 1094 O ALA A 465 14.196 -0.383 -14.466 1.00 10.45 O ATOM 1095 CB ALA A 465 13.742 -3.499 -15.068 1.00 64.45 C ATOM 0 H ALA A 465 14.811 -4.424 -12.826 1.00 53.43 H new ATOM 0 HA ALA A 465 15.634 -2.511 -14.764 1.00 31.12 H new ATOM 0 HB1 ALA A 465 13.391 -2.839 -15.862 1.00 64.45 H new ATOM 0 HB2 ALA A 465 14.237 -4.365 -15.508 1.00 64.45 H new ATOM 0 HB3 ALA A 465 12.893 -3.831 -14.470 1.00 64.45 H new ATOM 1101 N MET A 466 13.633 -1.264 -12.462 1.00 31.31 N ATOM 1102 CA MET A 466 13.037 -0.002 -11.925 1.00 22.31 C ATOM 1103 C MET A 466 13.963 0.782 -10.938 1.00 71.44 C ATOM 1104 O MET A 466 13.458 1.597 -10.166 1.00 44.42 O ATOM 1105 CB MET A 466 11.694 -0.271 -11.191 1.00 31.15 C ATOM 1106 CG MET A 466 10.434 0.052 -11.997 1.00 61.14 C ATOM 1107 SD MET A 466 10.259 -0.923 -13.511 1.00 75.32 S ATOM 1108 CE MET A 466 10.043 -2.574 -12.846 1.00 21.01 C ATOM 0 H MET A 466 13.606 -2.045 -11.807 1.00 31.31 H new ATOM 0 HA MET A 466 12.886 0.613 -12.812 1.00 22.31 H new ATOM 0 HB2 MET A 466 11.661 -1.321 -10.901 1.00 31.15 H new ATOM 0 HB3 MET A 466 11.678 0.314 -10.272 1.00 31.15 H new ATOM 0 HG2 MET A 466 9.560 -0.114 -11.367 1.00 61.14 H new ATOM 0 HG3 MET A 466 10.443 1.110 -12.258 1.00 61.14 H new ATOM 0 HE1 MET A 466 9.696 -3.241 -13.635 1.00 21.01 H new ATOM 0 HE2 MET A 466 10.994 -2.937 -12.456 1.00 21.01 H new ATOM 0 HE3 MET A 466 9.307 -2.549 -12.042 1.00 21.01 H new ATOM 1118 N ASN A 467 15.284 0.558 -10.950 1.00 13.14 N ATOM 1119 CA ASN A 467 16.203 1.200 -9.998 1.00 12.52 C ATOM 1120 C ASN A 467 16.640 2.613 -10.488 1.00 61.12 C ATOM 1121 O ASN A 467 17.428 2.690 -11.432 1.00 25.11 O ATOM 1122 CB ASN A 467 17.420 0.253 -9.758 1.00 11.13 C ATOM 1123 CG ASN A 467 17.948 0.412 -8.333 1.00 13.31 C ATOM 1124 OD1 ASN A 467 17.197 0.784 -7.421 1.00 31.12 O ATOM 1125 ND2 ASN A 467 19.230 0.142 -8.122 1.00 12.30 N ATOM 0 H ASN A 467 15.743 -0.067 -11.613 1.00 13.14 H new ATOM 0 HA ASN A 467 15.692 1.360 -9.049 1.00 12.52 H new ATOM 0 HB2 ASN A 467 17.123 -0.782 -9.929 1.00 11.13 H new ATOM 0 HB3 ASN A 467 18.211 0.479 -10.473 1.00 11.13 H new ATOM 0 HD21 ASN A 467 19.624 0.239 -7.186 1.00 12.30 H new ATOM 0 HD22 ASN A 467 19.821 -0.162 -8.896 1.00 12.30 H new ATOM 1132 N GLY A 468 16.137 3.759 -9.878 1.00 14.42 N ATOM 1133 CA GLY A 468 16.549 5.073 -10.386 1.00 51.20 C ATOM 1134 C GLY A 468 15.765 5.555 -11.607 1.00 60.14 C ATOM 1135 O GLY A 468 16.177 6.501 -12.276 1.00 52.12 O ATOM 0 H GLY A 468 15.491 3.772 -9.089 1.00 14.42 H new ATOM 0 HA2 GLY A 468 16.441 5.807 -9.588 1.00 51.20 H new ATOM 0 HA3 GLY A 468 17.608 5.034 -10.642 1.00 51.20 H new ATOM 1139 N PHE A 469 14.623 4.934 -11.855 1.00 52.43 N ATOM 1140 CA PHE A 469 13.901 5.062 -13.128 1.00 32.25 C ATOM 1141 C PHE A 469 12.895 6.239 -12.970 1.00 61.44 C ATOM 1142 O PHE A 469 11.990 6.144 -12.136 1.00 33.44 O ATOM 1143 CB PHE A 469 13.227 3.657 -13.454 1.00 1.23 C ATOM 1144 CG PHE A 469 12.378 3.552 -14.712 1.00 73.41 C ATOM 1145 CD1 PHE A 469 12.946 3.358 -15.971 1.00 3.35 C ATOM 1146 CD2 PHE A 469 10.993 3.587 -14.623 1.00 3.51 C ATOM 1147 CE1 PHE A 469 12.143 3.209 -17.090 1.00 64.41 C ATOM 1148 CE2 PHE A 469 10.198 3.445 -15.731 1.00 61.44 C ATOM 1149 CZ PHE A 469 10.769 3.252 -16.970 1.00 24.35 C ATOM 0 H PHE A 469 14.162 4.322 -11.181 1.00 52.43 H new ATOM 0 HA PHE A 469 14.543 5.299 -13.976 1.00 32.25 H new ATOM 0 HB2 PHE A 469 14.020 2.913 -13.522 1.00 1.23 H new ATOM 0 HB3 PHE A 469 12.603 3.380 -12.605 1.00 1.23 H new ATOM 0 HD1 PHE A 469 14.020 3.324 -16.074 1.00 3.35 H new ATOM 0 HD2 PHE A 469 10.531 3.730 -13.657 1.00 3.51 H new ATOM 0 HE1 PHE A 469 12.594 3.059 -18.060 1.00 64.41 H new ATOM 0 HE2 PHE A 469 9.123 3.484 -15.633 1.00 61.44 H new ATOM 0 HZ PHE A 469 10.144 3.135 -17.843 1.00 24.35 H new ATOM 1159 N GLN A 470 13.098 7.385 -13.706 1.00 11.22 N ATOM 1160 CA GLN A 470 12.234 8.569 -13.534 1.00 63.10 C ATOM 1161 C GLN A 470 10.840 8.387 -14.153 1.00 4.21 C ATOM 1162 O GLN A 470 10.698 7.810 -15.233 1.00 33.31 O ATOM 1163 CB GLN A 470 12.929 9.806 -14.118 1.00 2.10 C ATOM 1164 CG GLN A 470 13.621 10.676 -13.062 1.00 25.20 C ATOM 1165 CD GLN A 470 12.782 11.859 -12.581 1.00 70.44 C ATOM 1166 OE1 GLN A 470 11.462 11.782 -12.720 1.00 63.34 O flip ATOM 1167 NE2 GLN A 470 13.330 12.859 -12.123 1.00 72.21 N flip ATOM 0 H GLN A 470 13.836 7.496 -14.401 1.00 11.22 H new ATOM 0 HA GLN A 470 12.078 8.705 -12.464 1.00 63.10 H new ATOM 0 HB2 GLN A 470 13.667 9.485 -14.853 1.00 2.10 H new ATOM 0 HB3 GLN A 470 12.193 10.410 -14.649 1.00 2.10 H new ATOM 0 HG2 GLN A 470 13.877 10.053 -12.205 1.00 25.20 H new ATOM 0 HG3 GLN A 470 14.558 11.052 -13.474 1.00 25.20 H new ATOM 0 HE21 GLN A 470 14.345 12.886 -12.029 1.00 72.21 H new ATOM 0 HE22 GLN A 470 12.770 13.662 -11.837 1.00 72.21 H new ATOM 1176 N ILE A 471 9.820 8.928 -13.457 1.00 63.41 N ATOM 1177 CA ILE A 471 8.398 8.649 -13.750 1.00 61.02 C ATOM 1178 C ILE A 471 7.602 9.949 -13.389 1.00 21.01 C ATOM 1179 O ILE A 471 7.190 10.091 -12.224 1.00 72.21 O ATOM 1180 CB ILE A 471 7.821 7.386 -12.899 1.00 44.51 C ATOM 1181 CG1 ILE A 471 8.665 6.082 -13.128 1.00 71.15 C ATOM 1182 CG2 ILE A 471 6.338 7.118 -13.230 1.00 0.41 C ATOM 1183 CD1 ILE A 471 8.376 4.897 -12.190 1.00 14.10 C ATOM 0 H ILE A 471 9.958 9.570 -12.677 1.00 63.41 H new ATOM 0 HA ILE A 471 8.288 8.381 -14.801 1.00 61.02 H new ATOM 0 HB ILE A 471 7.904 7.659 -11.847 1.00 44.51 H new ATOM 0 HG12 ILE A 471 8.506 5.750 -14.154 1.00 71.15 H new ATOM 0 HG13 ILE A 471 9.720 6.339 -13.036 1.00 71.15 H new ATOM 0 HG21 ILE A 471 5.982 6.269 -12.646 1.00 0.41 H new ATOM 0 HG22 ILE A 471 5.746 8.000 -12.986 1.00 0.41 H new ATOM 0 HG23 ILE A 471 6.237 6.895 -14.292 1.00 0.41 H new ATOM 0 HD11 ILE A 471 9.023 4.060 -12.451 1.00 14.10 H new ATOM 0 HD12 ILE A 471 8.566 5.194 -11.159 1.00 14.10 H new ATOM 0 HD13 ILE A 471 7.334 4.596 -12.294 1.00 14.10 H new ATOM 1195 N GLY A 472 7.414 10.934 -14.339 1.00 21.43 N ATOM 1196 CA GLY A 472 6.673 12.155 -13.997 1.00 72.13 C ATOM 1197 C GLY A 472 7.495 13.065 -13.099 1.00 74.51 C ATOM 1198 O GLY A 472 8.682 13.278 -13.349 1.00 22.42 O ATOM 0 H GLY A 472 7.757 10.890 -15.298 1.00 21.43 H new ATOM 0 HA2 GLY A 472 6.404 12.687 -14.909 1.00 72.13 H new ATOM 0 HA3 GLY A 472 5.742 11.890 -13.496 1.00 72.13 H new ATOM 1202 N MET A 473 6.874 13.577 -12.038 1.00 23.51 N ATOM 1203 CA MET A 473 7.599 14.418 -11.069 1.00 45.41 C ATOM 1204 C MET A 473 8.164 13.617 -9.861 1.00 51.34 C ATOM 1205 O MET A 473 8.535 14.218 -8.852 1.00 42.24 O ATOM 1206 CB MET A 473 6.734 15.621 -10.583 1.00 2.44 C ATOM 1207 CG MET A 473 5.354 15.263 -10.021 1.00 25.43 C ATOM 1208 SD MET A 473 4.665 16.561 -8.972 1.00 33.35 S ATOM 1209 CE MET A 473 5.693 16.430 -7.505 1.00 32.31 C ATOM 0 H MET A 473 5.887 13.432 -11.823 1.00 23.51 H new ATOM 0 HA MET A 473 8.459 14.813 -11.611 1.00 45.41 H new ATOM 0 HB2 MET A 473 7.291 16.158 -9.815 1.00 2.44 H new ATOM 0 HB3 MET A 473 6.599 16.308 -11.418 1.00 2.44 H new ATOM 0 HG2 MET A 473 4.670 15.069 -10.847 1.00 25.43 H new ATOM 0 HG3 MET A 473 5.430 14.340 -9.446 1.00 25.43 H new ATOM 0 HE1 MET A 473 5.089 16.082 -6.667 1.00 32.31 H new ATOM 0 HE2 MET A 473 6.501 15.722 -7.689 1.00 32.31 H new ATOM 0 HE3 MET A 473 6.114 17.407 -7.267 1.00 32.31 H new ATOM 1219 N LYS A 474 8.279 12.272 -9.969 1.00 1.43 N ATOM 1220 CA LYS A 474 8.896 11.450 -8.868 1.00 22.31 C ATOM 1221 C LYS A 474 9.881 10.410 -9.502 1.00 65.15 C ATOM 1222 O LYS A 474 9.749 10.126 -10.688 1.00 73.14 O ATOM 1223 CB LYS A 474 7.858 10.633 -7.990 1.00 11.32 C ATOM 1224 CG LYS A 474 6.497 11.243 -7.511 1.00 63.53 C ATOM 1225 CD LYS A 474 6.588 12.581 -6.708 1.00 43.54 C ATOM 1226 CE LYS A 474 5.409 12.751 -5.732 1.00 51.43 C ATOM 1227 NZ LYS A 474 4.093 12.453 -6.364 1.00 12.31 N ATOM 0 H LYS A 474 7.967 11.734 -10.777 1.00 1.43 H new ATOM 0 HA LYS A 474 9.388 12.166 -8.210 1.00 22.31 H new ATOM 0 HB2 LYS A 474 7.615 9.732 -8.553 1.00 11.32 H new ATOM 0 HB3 LYS A 474 8.390 10.315 -7.093 1.00 11.32 H new ATOM 0 HG2 LYS A 474 5.869 11.410 -8.386 1.00 63.53 H new ATOM 0 HG3 LYS A 474 5.989 10.504 -6.891 1.00 63.53 H new ATOM 0 HD2 LYS A 474 7.525 12.607 -6.152 1.00 43.54 H new ATOM 0 HD3 LYS A 474 6.607 13.420 -7.403 1.00 43.54 H new ATOM 0 HE2 LYS A 474 5.554 12.093 -4.875 1.00 51.43 H new ATOM 0 HE3 LYS A 474 5.402 13.772 -5.351 1.00 51.43 H new ATOM 0 HZ1 LYS A 474 3.327 12.758 -5.731 1.00 12.31 H new ATOM 0 HZ2 LYS A 474 4.019 12.962 -7.268 1.00 12.31 H new ATOM 0 HZ3 LYS A 474 4.014 11.430 -6.535 1.00 12.31 H new ATOM 1241 N ARG A 475 10.877 9.842 -8.746 1.00 43.12 N ATOM 1242 CA ARG A 475 11.711 8.741 -9.302 1.00 73.34 C ATOM 1243 C ARG A 475 11.569 7.462 -8.454 1.00 11.35 C ATOM 1244 O ARG A 475 11.567 7.529 -7.221 1.00 41.10 O ATOM 1245 CB ARG A 475 13.220 9.157 -9.401 1.00 42.44 C ATOM 1246 CG ARG A 475 13.948 9.474 -8.054 1.00 25.32 C ATOM 1247 CD ARG A 475 13.994 10.977 -7.671 1.00 11.52 C ATOM 1248 NE ARG A 475 15.247 11.588 -8.111 1.00 3.12 N ATOM 1249 CZ ARG A 475 16.019 12.382 -7.351 1.00 24.23 C ATOM 1250 NH1 ARG A 475 15.704 12.659 -6.085 1.00 21.45 N ATOM 1251 NH2 ARG A 475 17.156 12.842 -7.844 1.00 11.13 N ATOM 0 H ARG A 475 11.109 10.119 -7.792 1.00 43.12 H new ATOM 0 HA ARG A 475 11.348 8.536 -10.309 1.00 73.34 H new ATOM 0 HB2 ARG A 475 13.763 8.355 -9.901 1.00 42.44 H new ATOM 0 HB3 ARG A 475 13.290 10.036 -10.041 1.00 42.44 H new ATOM 0 HG2 ARG A 475 13.453 8.925 -7.253 1.00 25.32 H new ATOM 0 HG3 ARG A 475 14.969 9.098 -8.113 1.00 25.32 H new ATOM 0 HD2 ARG A 475 13.151 11.498 -8.125 1.00 11.52 H new ATOM 0 HD3 ARG A 475 13.891 11.085 -6.591 1.00 11.52 H new ATOM 0 HE ARG A 475 15.557 11.398 -9.064 1.00 3.12 H new ATOM 0 HH11 ARG A 475 14.859 12.265 -5.672 1.00 21.45 H new ATOM 0 HH12 ARG A 475 16.308 13.265 -5.530 1.00 21.45 H new ATOM 0 HH21 ARG A 475 17.439 12.593 -8.792 1.00 11.13 H new ATOM 0 HH22 ARG A 475 17.751 13.446 -7.276 1.00 11.13 H new ATOM 1265 N LEU A 476 11.471 6.292 -9.103 1.00 53.10 N ATOM 1266 CA LEU A 476 11.250 5.030 -8.352 1.00 20.44 C ATOM 1267 C LEU A 476 12.632 4.422 -7.972 1.00 30.11 C ATOM 1268 O LEU A 476 13.391 4.090 -8.869 1.00 62.41 O ATOM 1269 CB LEU A 476 10.436 4.037 -9.251 1.00 52.02 C ATOM 1270 CG LEU A 476 9.378 3.084 -8.604 1.00 55.25 C ATOM 1271 CD1 LEU A 476 9.841 2.478 -7.296 1.00 24.32 C ATOM 1272 CD2 LEU A 476 8.030 3.768 -8.444 1.00 64.14 C ATOM 0 H LEU A 476 11.538 6.185 -10.115 1.00 53.10 H new ATOM 0 HA LEU A 476 10.685 5.220 -7.440 1.00 20.44 H new ATOM 0 HB2 LEU A 476 9.919 4.631 -10.004 1.00 52.02 H new ATOM 0 HB3 LEU A 476 11.157 3.411 -9.778 1.00 52.02 H new ATOM 0 HG LEU A 476 9.258 2.256 -9.302 1.00 55.25 H new ATOM 0 HD11 LEU A 476 9.061 1.828 -6.900 1.00 24.32 H new ATOM 0 HD12 LEU A 476 10.747 1.896 -7.465 1.00 24.32 H new ATOM 0 HD13 LEU A 476 10.048 3.273 -6.580 1.00 24.32 H new ATOM 0 HD21 LEU A 476 7.321 3.074 -7.991 1.00 64.14 H new ATOM 0 HD22 LEU A 476 8.140 4.644 -7.804 1.00 64.14 H new ATOM 0 HD23 LEU A 476 7.661 4.077 -9.422 1.00 64.14 H new ATOM 1284 N LYS A 477 13.009 4.345 -6.665 1.00 22.10 N ATOM 1285 CA LYS A 477 14.250 3.578 -6.291 1.00 41.41 C ATOM 1286 C LYS A 477 13.920 2.433 -5.308 1.00 60.34 C ATOM 1287 O LYS A 477 13.208 2.677 -4.335 1.00 22.15 O ATOM 1288 CB LYS A 477 15.286 4.515 -5.631 1.00 31.13 C ATOM 1289 CG LYS A 477 16.722 3.935 -5.577 1.00 13.12 C ATOM 1290 CD LYS A 477 17.487 4.264 -4.279 1.00 13.55 C ATOM 1291 CE LYS A 477 17.227 3.255 -3.148 1.00 43.44 C ATOM 1292 NZ LYS A 477 15.835 3.312 -2.617 1.00 30.51 N ATOM 0 H LYS A 477 12.510 4.775 -5.886 1.00 22.10 H new ATOM 0 HA LYS A 477 14.663 3.157 -7.208 1.00 41.41 H new ATOM 0 HB2 LYS A 477 15.307 5.458 -6.178 1.00 31.13 H new ATOM 0 HB3 LYS A 477 14.959 4.742 -4.616 1.00 31.13 H new ATOM 0 HG2 LYS A 477 16.669 2.852 -5.690 1.00 13.12 H new ATOM 0 HG3 LYS A 477 17.288 4.317 -6.426 1.00 13.12 H new ATOM 0 HD2 LYS A 477 18.556 4.293 -4.492 1.00 13.55 H new ATOM 0 HD3 LYS A 477 17.203 5.260 -3.940 1.00 13.55 H new ATOM 0 HE2 LYS A 477 17.428 2.248 -3.515 1.00 43.44 H new ATOM 0 HE3 LYS A 477 17.927 3.443 -2.334 1.00 43.44 H new ATOM 0 HZ1 LYS A 477 15.837 3.056 -1.609 1.00 30.51 H new ATOM 0 HZ2 LYS A 477 15.460 4.276 -2.728 1.00 30.51 H new ATOM 0 HZ3 LYS A 477 15.235 2.644 -3.143 1.00 30.51 H new ATOM 1306 N VAL A 478 14.444 1.191 -5.526 1.00 33.43 N ATOM 1307 CA VAL A 478 14.059 0.062 -4.674 1.00 33.35 C ATOM 1308 C VAL A 478 15.271 -0.878 -4.389 1.00 10.31 C ATOM 1309 O VAL A 478 16.164 -1.007 -5.225 1.00 14.12 O ATOM 1310 CB VAL A 478 12.803 -0.677 -5.281 1.00 73.23 C ATOM 1311 CG1 VAL A 478 13.034 -2.144 -5.623 1.00 33.31 C ATOM 1312 CG2 VAL A 478 11.634 -0.604 -4.330 1.00 20.53 C ATOM 0 H VAL A 478 15.112 0.966 -6.264 1.00 33.43 H new ATOM 0 HA VAL A 478 13.755 0.437 -3.697 1.00 33.35 H new ATOM 0 HB VAL A 478 12.600 -0.151 -6.214 1.00 73.23 H new ATOM 0 HG11 VAL A 478 12.119 -2.570 -6.034 1.00 33.31 H new ATOM 0 HG12 VAL A 478 13.834 -2.224 -6.359 1.00 33.31 H new ATOM 0 HG13 VAL A 478 13.315 -2.688 -4.721 1.00 33.31 H new ATOM 0 HG21 VAL A 478 10.778 -1.119 -4.766 1.00 20.53 H new ATOM 0 HG22 VAL A 478 11.902 -1.080 -3.387 1.00 20.53 H new ATOM 0 HG23 VAL A 478 11.376 0.440 -4.149 1.00 20.53 H new ATOM 1322 N GLN A 479 15.290 -1.502 -3.190 1.00 55.22 N ATOM 1323 CA GLN A 479 16.370 -2.438 -2.767 1.00 14.40 C ATOM 1324 C GLN A 479 15.838 -3.555 -1.833 1.00 31.00 C ATOM 1325 O GLN A 479 14.652 -3.521 -1.484 1.00 54.00 O ATOM 1326 CB GLN A 479 17.545 -1.706 -2.115 1.00 55.42 C ATOM 1327 CG GLN A 479 18.739 -1.603 -3.059 1.00 35.32 C ATOM 1328 CD GLN A 479 19.973 -0.987 -2.426 1.00 53.24 C ATOM 1329 OE1 GLN A 479 20.181 -1.224 -1.138 1.00 73.20 O flip ATOM 1330 NE2 GLN A 479 20.752 -0.331 -3.106 1.00 24.02 N flip ATOM 0 H GLN A 479 14.562 -1.375 -2.486 1.00 55.22 H new ATOM 0 HA GLN A 479 16.737 -2.910 -3.678 1.00 14.40 H new ATOM 0 HB2 GLN A 479 17.230 -0.706 -1.816 1.00 55.42 H new ATOM 0 HB3 GLN A 479 17.843 -2.231 -1.208 1.00 55.42 H new ATOM 0 HG2 GLN A 479 18.989 -2.600 -3.423 1.00 35.32 H new ATOM 0 HG3 GLN A 479 18.453 -1.009 -3.927 1.00 35.32 H new ATOM 0 HE21 GLN A 479 20.556 -0.171 -4.094 1.00 24.02 H new ATOM 0 HE22 GLN A 479 21.597 0.055 -2.684 1.00 24.02 H new ATOM 1339 N LEU A 480 16.695 -4.582 -1.482 1.00 35.23 N ATOM 1340 CA LEU A 480 16.274 -5.631 -0.451 1.00 54.13 C ATOM 1341 C LEU A 480 15.983 -4.861 0.877 1.00 53.13 C ATOM 1342 O LEU A 480 16.778 -3.983 1.220 1.00 31.21 O ATOM 1343 CB LEU A 480 17.416 -6.704 -0.183 1.00 25.23 C ATOM 1344 CG LEU A 480 17.110 -8.263 -0.226 1.00 73.21 C ATOM 1345 CD1 LEU A 480 16.870 -8.785 -1.656 1.00 51.11 C ATOM 1346 CD2 LEU A 480 18.307 -8.994 0.370 1.00 33.21 C ATOM 0 H LEU A 480 17.630 -4.710 -1.868 1.00 35.23 H new ATOM 0 HA LEU A 480 15.404 -6.173 -0.822 1.00 54.13 H new ATOM 0 HB2 LEU A 480 18.206 -6.515 -0.909 1.00 25.23 H new ATOM 0 HB3 LEU A 480 17.830 -6.488 0.802 1.00 25.23 H new ATOM 0 HG LEU A 480 16.196 -8.444 0.340 1.00 73.21 H new ATOM 0 HD11 LEU A 480 16.666 -9.855 -1.623 1.00 51.11 H new ATOM 0 HD12 LEU A 480 16.017 -8.266 -2.094 1.00 51.11 H new ATOM 0 HD13 LEU A 480 17.757 -8.603 -2.263 1.00 51.11 H new ATOM 0 HD21 LEU A 480 18.123 -10.068 0.353 1.00 33.21 H new ATOM 0 HD22 LEU A 480 19.199 -8.769 -0.215 1.00 33.21 H new ATOM 0 HD23 LEU A 480 18.457 -8.668 1.399 1.00 33.21 H new ATOM 1358 N LYS A 481 14.832 -5.143 1.580 1.00 64.02 N ATOM 1359 CA LYS A 481 14.375 -4.306 2.738 1.00 62.34 C ATOM 1360 C LYS A 481 15.386 -4.386 3.879 1.00 54.14 C ATOM 1361 O LYS A 481 15.501 -5.385 4.596 1.00 65.22 O ATOM 1362 CB LYS A 481 12.916 -4.713 3.189 1.00 22.31 C ATOM 1363 CG LYS A 481 12.315 -4.167 4.575 1.00 60.31 C ATOM 1364 CD LYS A 481 12.398 -2.619 4.815 1.00 65.52 C ATOM 1365 CE LYS A 481 11.292 -2.094 5.780 1.00 4.43 C ATOM 1366 NZ LYS A 481 11.517 -0.688 6.167 1.00 54.22 N ATOM 0 H LYS A 481 14.218 -5.929 1.366 1.00 64.02 H new ATOM 0 HA LYS A 481 14.322 -3.263 2.425 1.00 62.34 H new ATOM 0 HB2 LYS A 481 12.235 -4.402 2.397 1.00 22.31 H new ATOM 0 HB3 LYS A 481 12.882 -5.802 3.229 1.00 22.31 H new ATOM 0 HG2 LYS A 481 11.268 -4.465 4.633 1.00 60.31 H new ATOM 0 HG3 LYS A 481 12.835 -4.667 5.392 1.00 60.31 H new ATOM 0 HD2 LYS A 481 13.377 -2.372 5.225 1.00 65.52 H new ATOM 0 HD3 LYS A 481 12.313 -2.103 3.859 1.00 65.52 H new ATOM 0 HE2 LYS A 481 10.318 -2.186 5.299 1.00 4.43 H new ATOM 0 HE3 LYS A 481 11.266 -2.716 6.674 1.00 4.43 H new ATOM 0 HZ1 LYS A 481 10.759 -0.379 6.809 1.00 54.22 H new ATOM 0 HZ2 LYS A 481 12.435 -0.603 6.649 1.00 54.22 H new ATOM 0 HZ3 LYS A 481 11.516 -0.089 5.317 1.00 54.22 H new ATOM 1380 N ARG A 482 16.127 -3.295 3.987 1.00 64.43 N ATOM 1381 CA ARG A 482 17.301 -3.205 4.812 1.00 41.33 C ATOM 1382 C ARG A 482 16.989 -2.405 6.091 1.00 5.22 C ATOM 1383 O ARG A 482 16.345 -1.354 5.997 1.00 60.33 O ATOM 1384 CB ARG A 482 18.456 -2.610 3.906 1.00 0.35 C ATOM 1385 CG ARG A 482 18.499 -1.083 3.627 1.00 50.42 C ATOM 1386 CD ARG A 482 17.358 -0.541 2.739 1.00 12.15 C ATOM 1387 NE ARG A 482 17.561 0.871 2.412 1.00 51.53 N ATOM 1388 CZ ARG A 482 17.023 1.895 3.086 1.00 54.23 C ATOM 1389 NH1 ARG A 482 16.232 1.684 4.129 1.00 32.01 N ATOM 1390 NH2 ARG A 482 17.277 3.141 2.708 1.00 75.05 N ATOM 0 H ARG A 482 15.916 -2.431 3.487 1.00 64.43 H new ATOM 0 HA ARG A 482 17.639 -4.174 5.179 1.00 41.33 H new ATOM 0 HB2 ARG A 482 19.406 -2.885 4.365 1.00 0.35 H new ATOM 0 HB3 ARG A 482 18.409 -3.117 2.942 1.00 0.35 H new ATOM 0 HG2 ARG A 482 18.477 -0.556 4.581 1.00 50.42 H new ATOM 0 HG3 ARG A 482 19.451 -0.844 3.153 1.00 50.42 H new ATOM 0 HD2 ARG A 482 17.302 -1.124 1.820 1.00 12.15 H new ATOM 0 HD3 ARG A 482 16.405 -0.664 3.253 1.00 12.15 H new ATOM 0 HE ARG A 482 18.155 1.091 1.613 1.00 51.53 H new ATOM 0 HH11 ARG A 482 16.026 0.731 4.428 1.00 32.01 H new ATOM 0 HH12 ARG A 482 15.830 2.475 4.632 1.00 32.01 H new ATOM 0 HH21 ARG A 482 17.881 3.317 1.905 1.00 75.05 H new ATOM 0 HH22 ARG A 482 16.868 3.923 3.220 1.00 75.05 H new ATOM 1404 N SER A 483 17.318 -3.001 7.284 1.00 35.34 N ATOM 1405 CA SER A 483 17.225 -2.363 8.619 1.00 33.50 C ATOM 1406 C SER A 483 15.814 -2.522 9.228 1.00 12.42 C ATOM 1407 O SER A 483 15.694 -2.668 10.445 1.00 74.14 O ATOM 1408 CB SER A 483 17.727 -0.882 8.647 1.00 65.11 C ATOM 1409 OG SER A 483 17.711 -0.364 9.971 1.00 1.35 O ATOM 0 H SER A 483 17.662 -3.960 7.332 1.00 35.34 H new ATOM 0 HA SER A 483 17.920 -2.906 9.260 1.00 33.50 H new ATOM 0 HB2 SER A 483 18.738 -0.829 8.244 1.00 65.11 H new ATOM 0 HB3 SER A 483 17.096 -0.268 8.005 1.00 65.11 H new ATOM 0 HG SER A 483 18.030 0.562 9.964 1.00 1.35 H new