USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=12 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 460 GLN : amide:sc= 0.0182 K(o=-0.017,f=-1.5) USER MOD Set 1.2: A 464 GLN : amide:sc= -0.0356 K(o=-0.017,f=-3.1!) USER MOD Set 2.1: A 453 TYR OH : rot -151:sc= -0.849 USER MOD Set 2.2: A 458 SER OG : rot -25:sc= 0.195 USER MOD Single : A 398 GLN : amide:sc= 0.148 X(o=0.15,f=0) USER MOD Single : A 399 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.101) USER MOD Single : A 406 ASN : amide:sc= -0.0281 K(o=-0.028,f=-1) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.57) USER MOD Single : A 414 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 419 GLN : amide:sc= -0.496 K(o=-0.5,f=-1.1) USER MOD Single : A 423 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 424 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 MET CE :methyl -115:sc= -1.58 (180deg=-5.59!) USER MOD Single : A 430 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.37) USER MOD Single : A 433 SER OG : rot 160:sc= 0 USER MOD Single : A 435 LYS NZ :NH3+ -160:sc= -0.103 (180deg=-0.501) USER MOD Single : A 452 SER OG : rot 10:sc= -0.125 USER MOD Single : A 455 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 466 MET CE :methyl 169:sc= 0 (180deg=-0.106) USER MOD Single : A 467 ASN : amide:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 470 GLN :FLIP amide:sc=-0.00239 F(o=-0.81,f=-0.0024) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ -159:sc= 0.00208 (180deg=0) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 GLN : amide:sc= 0 X(o=0,f=-0.38) 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 -4.053 -8.399 4.672 1.00 3.23 N ATOM 57 CA GLN A 398 -2.866 -7.872 3.985 1.00 31.12 C ATOM 58 C GLN A 398 -1.689 -8.856 4.069 1.00 51.53 C ATOM 59 O GLN A 398 -1.353 -9.357 5.149 1.00 71.22 O ATOM 60 CB GLN A 398 -2.485 -6.472 4.569 1.00 34.25 C ATOM 61 CG GLN A 398 -2.375 -6.396 6.129 1.00 22.23 C ATOM 62 CD GLN A 398 -0.945 -6.058 6.625 1.00 35.22 C ATOM 63 OE1 GLN A 398 -0.593 -4.892 6.826 1.00 54.22 O ATOM 64 NE2 GLN A 398 -0.115 -7.094 6.817 1.00 71.13 N ATOM 0 HA GLN A 398 -3.104 -7.749 2.928 1.00 31.12 H new ATOM 0 HB2 GLN A 398 -1.530 -6.167 4.140 1.00 34.25 H new ATOM 0 HB3 GLN A 398 -3.229 -5.746 4.239 1.00 34.25 H new ATOM 0 HG2 GLN A 398 -3.069 -5.641 6.499 1.00 22.23 H new ATOM 0 HG3 GLN A 398 -2.684 -7.350 6.555 1.00 22.23 H new ATOM 0 HE21 GLN A 398 -0.438 -8.045 6.641 1.00 71.13 H new ATOM 0 HE22 GLN A 398 0.839 -6.930 7.139 1.00 71.13 H new ATOM 73 N LYS A 399 -1.094 -9.171 2.912 1.00 63.14 N ATOM 74 CA LYS A 399 0.037 -10.111 2.902 1.00 3.42 C ATOM 75 C LYS A 399 1.329 -9.270 2.879 1.00 53.22 C ATOM 76 O LYS A 399 1.676 -8.686 1.839 1.00 21.32 O ATOM 77 CB LYS A 399 -0.046 -11.039 1.629 1.00 43.53 C ATOM 78 CG LYS A 399 0.332 -12.567 1.721 1.00 34.41 C ATOM 79 CD LYS A 399 1.514 -12.928 2.649 1.00 33.53 C ATOM 80 CE LYS A 399 2.043 -14.343 2.379 1.00 2.15 C ATOM 81 NZ LYS A 399 0.960 -15.370 2.352 1.00 53.43 N ATOM 0 H LYS A 399 -1.363 -8.804 1.999 1.00 63.14 H new ATOM 0 HA LYS A 399 0.019 -10.755 3.782 1.00 3.42 H new ATOM 0 HB2 LYS A 399 -1.069 -10.984 1.258 1.00 43.53 H new ATOM 0 HB3 LYS A 399 0.594 -10.596 0.866 1.00 43.53 H new ATOM 0 HG2 LYS A 399 -0.547 -13.117 2.058 1.00 34.41 H new ATOM 0 HG3 LYS A 399 0.565 -12.922 0.717 1.00 34.41 H new ATOM 0 HD2 LYS A 399 2.319 -12.207 2.509 1.00 33.53 H new ATOM 0 HD3 LYS A 399 1.196 -12.852 3.689 1.00 33.53 H new ATOM 0 HE2 LYS A 399 2.571 -14.353 1.425 1.00 2.15 H new ATOM 0 HE3 LYS A 399 2.769 -14.607 3.148 1.00 2.15 H new ATOM 0 HZ1 LYS A 399 1.383 -16.320 2.336 1.00 53.43 H new ATOM 0 HZ2 LYS A 399 0.365 -15.270 3.199 1.00 53.43 H new ATOM 0 HZ3 LYS A 399 0.376 -15.237 1.502 1.00 53.43 H new ATOM 95 N GLU A 400 2.041 -9.203 4.016 1.00 24.33 N ATOM 96 CA GLU A 400 3.444 -8.737 3.989 1.00 51.35 C ATOM 97 C GLU A 400 4.338 -9.977 3.839 1.00 40.45 C ATOM 98 O GLU A 400 4.078 -10.992 4.510 1.00 44.13 O ATOM 99 CB GLU A 400 3.818 -7.829 5.223 1.00 2.52 C ATOM 100 CG GLU A 400 3.574 -8.414 6.626 1.00 61.41 C ATOM 101 CD GLU A 400 4.169 -7.536 7.703 1.00 31.24 C ATOM 102 OE1 GLU A 400 5.406 -7.340 7.707 1.00 14.11 O ATOM 103 OE2 GLU A 400 3.403 -7.053 8.556 1.00 53.44 O ATOM 0 H GLU A 400 1.687 -9.456 4.939 1.00 24.33 H new ATOM 0 HA GLU A 400 3.601 -8.075 3.137 1.00 51.35 H new ATOM 0 HB2 GLU A 400 4.874 -7.570 5.144 1.00 2.52 H new ATOM 0 HB3 GLU A 400 3.254 -6.900 5.142 1.00 2.52 H new ATOM 0 HG2 GLU A 400 2.503 -8.523 6.795 1.00 61.41 H new ATOM 0 HG3 GLU A 400 4.009 -9.411 6.686 1.00 61.41 H new ATOM 110 N GLY A 401 5.319 -9.936 2.895 1.00 72.21 N ATOM 111 CA GLY A 401 6.053 -11.124 2.505 1.00 11.34 C ATOM 112 C GLY A 401 6.786 -11.928 3.613 1.00 51.54 C ATOM 113 O GLY A 401 7.229 -11.345 4.604 1.00 14.20 O ATOM 0 H GLY A 401 5.602 -9.087 2.405 1.00 72.21 H new ATOM 0 HA2 GLY A 401 5.355 -11.799 2.009 1.00 11.34 H new ATOM 0 HA3 GLY A 401 6.794 -10.829 1.762 1.00 11.34 H new ATOM 117 N PRO A 402 6.938 -13.290 3.444 1.00 22.23 N ATOM 118 CA PRO A 402 7.632 -14.177 4.388 1.00 45.41 C ATOM 119 C PRO A 402 9.146 -14.056 4.294 1.00 63.15 C ATOM 120 O PRO A 402 9.665 -13.178 3.593 1.00 23.14 O ATOM 121 CB PRO A 402 7.172 -15.571 3.958 1.00 63.40 C ATOM 122 CG PRO A 402 7.101 -15.451 2.492 1.00 65.22 C ATOM 123 CD PRO A 402 6.448 -14.118 2.298 1.00 41.13 C ATOM 0 HA PRO A 402 7.398 -13.937 5.425 1.00 45.41 H new ATOM 0 HB2 PRO A 402 7.876 -16.343 4.267 1.00 63.40 H new ATOM 0 HB3 PRO A 402 6.205 -15.830 4.390 1.00 63.40 H new ATOM 0 HG2 PRO A 402 8.090 -15.487 2.035 1.00 65.22 H new ATOM 0 HG3 PRO A 402 6.516 -16.256 2.048 1.00 65.22 H new ATOM 0 HD2 PRO A 402 6.726 -13.676 1.341 1.00 41.13 H new ATOM 0 HD3 PRO A 402 5.361 -14.203 2.306 1.00 41.13 H new ATOM 131 N GLU A 403 9.795 -14.919 5.078 1.00 41.53 N ATOM 132 CA GLU A 403 11.254 -15.095 5.170 1.00 55.15 C ATOM 133 C GLU A 403 12.058 -14.677 3.868 1.00 51.45 C ATOM 134 O GLU A 403 12.050 -15.408 2.876 1.00 63.13 O ATOM 135 CB GLU A 403 11.341 -16.656 5.388 1.00 1.44 C ATOM 136 CG GLU A 403 11.945 -17.070 6.724 1.00 53.31 C ATOM 137 CD GLU A 403 11.591 -18.495 7.123 1.00 21.43 C ATOM 138 OE1 GLU A 403 12.335 -19.428 6.749 1.00 74.21 O ATOM 139 OE2 GLU A 403 10.564 -18.677 7.808 1.00 61.44 O ATOM 0 H GLU A 403 9.293 -15.551 5.702 1.00 41.53 H new ATOM 0 HA GLU A 403 11.698 -14.467 5.942 1.00 55.15 H new ATOM 0 HB2 GLU A 403 10.339 -17.078 5.309 1.00 1.44 H new ATOM 0 HB3 GLU A 403 11.935 -17.091 4.584 1.00 1.44 H new ATOM 0 HG2 GLU A 403 13.029 -16.972 6.672 1.00 53.31 H new ATOM 0 HG3 GLU A 403 11.601 -16.386 7.499 1.00 53.31 H new ATOM 146 N GLY A 404 12.708 -13.451 3.869 1.00 5.41 N ATOM 147 CA GLY A 404 13.730 -13.098 2.891 1.00 52.33 C ATOM 148 C GLY A 404 13.292 -12.058 1.862 1.00 65.11 C ATOM 149 O GLY A 404 14.127 -11.229 1.490 1.00 54.43 O ATOM 0 H GLY A 404 12.517 -12.716 4.550 1.00 5.41 H new ATOM 0 HA2 GLY A 404 14.605 -12.721 3.420 1.00 52.33 H new ATOM 0 HA3 GLY A 404 14.040 -14.002 2.366 1.00 52.33 H new ATOM 153 N ALA A 405 12.023 -12.033 1.383 1.00 10.11 N ATOM 154 CA ALA A 405 11.641 -10.887 0.542 1.00 61.55 C ATOM 155 C ALA A 405 10.392 -10.124 1.015 1.00 62.52 C ATOM 156 O ALA A 405 9.316 -10.692 1.213 1.00 71.02 O ATOM 157 CB ALA A 405 11.553 -11.291 -0.926 1.00 44.41 C ATOM 0 H ALA A 405 11.302 -12.735 1.550 1.00 10.11 H new ATOM 0 HA ALA A 405 12.448 -10.163 0.653 1.00 61.55 H new ATOM 0 HB1 ALA A 405 11.269 -10.426 -1.525 1.00 44.41 H new ATOM 0 HB2 ALA A 405 12.522 -11.662 -1.260 1.00 44.41 H new ATOM 0 HB3 ALA A 405 10.805 -12.075 -1.043 1.00 44.41 H new ATOM 163 N ASN A 406 10.591 -8.813 1.180 1.00 24.03 N ATOM 164 CA ASN A 406 9.489 -7.802 1.371 1.00 40.52 C ATOM 165 C ASN A 406 9.823 -6.517 0.493 1.00 42.44 C ATOM 166 O ASN A 406 10.743 -5.786 0.862 1.00 41.31 O ATOM 167 CB ASN A 406 9.203 -7.540 2.935 1.00 54.42 C ATOM 168 CG ASN A 406 10.414 -7.625 3.844 1.00 44.45 C ATOM 169 OD1 ASN A 406 11.522 -7.267 3.475 1.00 54.44 O ATOM 170 ND2 ASN A 406 10.191 -8.158 5.058 1.00 34.44 N ATOM 0 H ASN A 406 11.522 -8.396 1.188 1.00 24.03 H new ATOM 0 HA ASN A 406 8.533 -8.177 1.005 1.00 40.52 H new ATOM 0 HB2 ASN A 406 8.757 -6.551 3.044 1.00 54.42 H new ATOM 0 HB3 ASN A 406 8.462 -8.263 3.277 1.00 54.42 H new ATOM 0 HD21 ASN A 406 10.964 -8.277 5.713 1.00 34.44 H new ATOM 0 HD22 ASN A 406 9.249 -8.443 5.324 1.00 34.44 H new ATOM 177 N LEU A 407 9.102 -6.195 -0.668 1.00 53.11 N ATOM 178 CA LEU A 407 9.733 -5.334 -1.700 1.00 51.33 C ATOM 179 C LEU A 407 8.970 -3.931 -1.629 1.00 4.21 C ATOM 180 O LEU A 407 7.773 -3.935 -1.925 1.00 11.34 O ATOM 181 CB LEU A 407 9.669 -6.112 -3.143 1.00 22.14 C ATOM 182 CG LEU A 407 10.344 -7.564 -3.327 1.00 10.52 C ATOM 183 CD1 LEU A 407 11.664 -7.782 -2.558 1.00 12.41 C ATOM 184 CD2 LEU A 407 9.368 -8.694 -2.963 1.00 72.04 C ATOM 0 H LEU A 407 8.154 -6.507 -0.876 1.00 53.11 H new ATOM 0 HA LEU A 407 10.793 -5.135 -1.542 1.00 51.33 H new ATOM 0 HB2 LEU A 407 8.616 -6.212 -3.407 1.00 22.14 H new ATOM 0 HB3 LEU A 407 10.121 -5.452 -3.883 1.00 22.14 H new ATOM 0 HG LEU A 407 10.592 -7.594 -4.388 1.00 10.52 H new ATOM 0 HD11 LEU A 407 12.035 -8.789 -2.749 1.00 12.41 H new ATOM 0 HD12 LEU A 407 12.404 -7.054 -2.891 1.00 12.41 H new ATOM 0 HD13 LEU A 407 11.488 -7.657 -1.490 1.00 12.41 H new ATOM 0 HD21 LEU A 407 9.859 -9.657 -3.100 1.00 72.04 H new ATOM 0 HD22 LEU A 407 9.060 -8.588 -1.923 1.00 72.04 H new ATOM 0 HD23 LEU A 407 8.491 -8.639 -3.608 1.00 72.04 H new ATOM 196 N PHE A 408 9.596 -2.723 -1.213 1.00 3.14 N ATOM 197 CA PHE A 408 8.746 -1.538 -0.835 1.00 33.32 C ATOM 198 C PHE A 408 8.549 -0.517 -1.992 1.00 75.33 C ATOM 199 O PHE A 408 9.496 0.187 -2.315 1.00 30.32 O ATOM 200 CB PHE A 408 9.424 -0.694 0.266 1.00 12.15 C ATOM 201 CG PHE A 408 9.503 -1.227 1.661 1.00 23.03 C ATOM 202 CD1 PHE A 408 10.368 -2.257 1.987 1.00 73.52 C ATOM 203 CD2 PHE A 408 8.753 -0.651 2.671 1.00 24.02 C ATOM 204 CE1 PHE A 408 10.472 -2.694 3.276 1.00 1.54 C ATOM 205 CE2 PHE A 408 8.847 -1.091 3.956 1.00 54.42 C ATOM 206 CZ PHE A 408 9.704 -2.115 4.265 1.00 74.23 C ATOM 0 H PHE A 408 10.603 -2.579 -1.144 1.00 3.14 H new ATOM 0 HA PHE A 408 7.800 -1.987 -0.531 1.00 33.32 H new ATOM 0 HB2 PHE A 408 10.443 -0.487 -0.062 1.00 12.15 H new ATOM 0 HB3 PHE A 408 8.903 0.262 0.311 1.00 12.15 H new ATOM 0 HD1 PHE A 408 10.966 -2.719 1.215 1.00 73.52 H new ATOM 0 HD2 PHE A 408 8.081 0.162 2.436 1.00 24.02 H new ATOM 0 HE1 PHE A 408 11.156 -3.493 3.522 1.00 1.54 H new ATOM 0 HE2 PHE A 408 8.248 -0.634 4.730 1.00 54.42 H new ATOM 0 HZ PHE A 408 9.778 -2.469 5.283 1.00 74.23 H new ATOM 216 N ILE A 409 7.322 -0.326 -2.546 1.00 20.15 N ATOM 217 CA ILE A 409 7.208 0.453 -3.816 1.00 0.40 C ATOM 218 C ILE A 409 6.506 1.807 -3.626 1.00 70.03 C ATOM 219 O ILE A 409 5.380 1.869 -3.135 1.00 62.21 O ATOM 220 CB ILE A 409 6.567 -0.410 -4.982 1.00 40.00 C ATOM 221 CG1 ILE A 409 6.031 -1.803 -4.501 1.00 55.24 C ATOM 222 CG2 ILE A 409 7.616 -0.645 -6.070 1.00 70.44 C ATOM 223 CD1 ILE A 409 4.527 -2.043 -4.639 1.00 43.44 C ATOM 0 H ILE A 409 6.443 -0.676 -2.164 1.00 20.15 H new ATOM 0 HA ILE A 409 8.226 0.692 -4.125 1.00 0.40 H new ATOM 0 HB ILE A 409 5.715 0.157 -5.358 1.00 40.00 H new ATOM 0 HG12 ILE A 409 6.553 -2.580 -5.060 1.00 55.24 H new ATOM 0 HG13 ILE A 409 6.301 -1.928 -3.452 1.00 55.24 H new ATOM 0 HG21 ILE A 409 7.180 -1.238 -6.874 1.00 70.44 H new ATOM 0 HG22 ILE A 409 7.950 0.314 -6.466 1.00 70.44 H new ATOM 0 HG23 ILE A 409 8.467 -1.179 -5.646 1.00 70.44 H new ATOM 0 HD11 ILE A 409 4.283 -3.040 -4.273 1.00 43.44 H new ATOM 0 HD12 ILE A 409 3.985 -1.299 -4.055 1.00 43.44 H new ATOM 0 HD13 ILE A 409 4.240 -1.961 -5.687 1.00 43.44 H new ATOM 235 N TYR A 410 7.213 2.911 -4.020 1.00 54.51 N ATOM 236 CA TYR A 410 6.788 4.289 -3.663 1.00 64.32 C ATOM 237 C TYR A 410 7.083 5.264 -4.823 1.00 54.13 C ATOM 238 O TYR A 410 7.864 4.898 -5.693 1.00 53.13 O ATOM 239 CB TYR A 410 7.493 4.723 -2.324 1.00 43.25 C ATOM 240 CG TYR A 410 8.941 5.258 -2.413 1.00 61.22 C ATOM 241 CD1 TYR A 410 10.047 4.405 -2.445 1.00 74.44 C ATOM 242 CD2 TYR A 410 9.207 6.635 -2.407 1.00 71.32 C ATOM 243 CE1 TYR A 410 11.346 4.904 -2.480 1.00 13.24 C ATOM 244 CE2 TYR A 410 10.503 7.124 -2.448 1.00 45.21 C ATOM 245 CZ TYR A 410 11.563 6.257 -2.484 1.00 2.24 C ATOM 246 OH TYR A 410 12.852 6.752 -2.521 1.00 14.44 O ATOM 0 H TYR A 410 8.067 2.868 -4.577 1.00 54.51 H new ATOM 0 HA TYR A 410 5.711 4.313 -3.499 1.00 64.32 H new ATOM 0 HB2 TYR A 410 6.879 5.493 -1.857 1.00 43.25 H new ATOM 0 HB3 TYR A 410 7.494 3.865 -1.652 1.00 43.25 H new ATOM 0 HD1 TYR A 410 9.891 3.336 -2.443 1.00 74.44 H new ATOM 0 HD2 TYR A 410 8.382 7.331 -2.370 1.00 71.32 H new ATOM 0 HE1 TYR A 410 12.184 4.224 -2.504 1.00 13.24 H new ATOM 0 HE2 TYR A 410 10.678 8.190 -2.452 1.00 45.21 H new ATOM 0 HH TYR A 410 12.826 7.732 -2.520 1.00 14.44 H new ATOM 256 N HIS A 411 6.450 6.496 -4.842 1.00 33.21 N ATOM 257 CA HIS A 411 6.688 7.518 -5.890 1.00 41.43 C ATOM 258 C HIS A 411 5.959 7.174 -7.219 1.00 34.04 C ATOM 259 O HIS A 411 6.453 7.483 -8.304 1.00 63.24 O ATOM 260 CB HIS A 411 8.215 7.794 -6.109 1.00 1.03 C ATOM 261 CG HIS A 411 8.774 8.912 -5.232 1.00 74.02 C ATOM 262 ND1 HIS A 411 8.046 9.501 -4.212 1.00 44.42 N ATOM 263 CD2 HIS A 411 9.990 9.555 -5.227 1.00 30.21 C ATOM 264 CE1 HIS A 411 8.772 10.439 -3.627 1.00 35.44 C ATOM 265 NE2 HIS A 411 9.947 10.496 -4.221 1.00 53.20 N ATOM 0 H HIS A 411 5.775 6.786 -4.135 1.00 33.21 H new ATOM 0 HA HIS A 411 6.251 8.448 -5.525 1.00 41.43 H new ATOM 0 HB2 HIS A 411 8.772 6.878 -5.911 1.00 1.03 H new ATOM 0 HB3 HIS A 411 8.382 8.049 -7.156 1.00 1.03 H new ATOM 0 HD2 HIS A 411 10.822 9.359 -5.887 1.00 30.21 H new ATOM 0 HE1 HIS A 411 8.454 11.056 -2.799 1.00 35.44 H new ATOM 0 HE2 HIS A 411 10.704 11.134 -3.975 1.00 53.20 H new ATOM 274 N LEU A 412 4.760 6.557 -7.090 1.00 71.32 N ATOM 275 CA LEU A 412 3.813 6.281 -8.218 1.00 3.12 C ATOM 276 C LEU A 412 3.392 7.558 -8.987 1.00 2.22 C ATOM 277 O LEU A 412 3.351 8.656 -8.411 1.00 40.04 O ATOM 278 CB LEU A 412 2.531 5.585 -7.662 1.00 63.33 C ATOM 279 CG LEU A 412 2.004 6.222 -6.374 1.00 50.41 C ATOM 280 CD1 LEU A 412 0.749 7.076 -6.530 1.00 12.44 C ATOM 281 CD2 LEU A 412 1.822 5.223 -5.235 1.00 23.24 C ATOM 0 H LEU A 412 4.410 6.229 -6.190 1.00 71.32 H new ATOM 0 HA LEU A 412 4.341 5.636 -8.920 1.00 3.12 H new ATOM 0 HB2 LEU A 412 1.750 5.619 -8.421 1.00 63.33 H new ATOM 0 HB3 LEU A 412 2.749 4.533 -7.476 1.00 63.33 H new ATOM 0 HG LEU A 412 2.807 6.909 -6.109 1.00 50.41 H new ATOM 0 HD11 LEU A 412 0.460 7.479 -5.559 1.00 12.44 H new ATOM 0 HD12 LEU A 412 0.951 7.897 -7.219 1.00 12.44 H new ATOM 0 HD13 LEU A 412 -0.062 6.463 -6.924 1.00 12.44 H new ATOM 0 HD21 LEU A 412 1.446 5.741 -4.353 1.00 23.24 H new ATOM 0 HD22 LEU A 412 1.110 4.455 -5.535 1.00 23.24 H new ATOM 0 HD23 LEU A 412 2.780 4.758 -5.002 1.00 23.24 H new ATOM 293 N PRO A 413 3.090 7.420 -10.309 1.00 4.10 N ATOM 294 CA PRO A 413 2.506 8.500 -11.136 1.00 2.43 C ATOM 295 C PRO A 413 1.035 8.817 -10.759 1.00 74.20 C ATOM 296 O PRO A 413 0.414 8.069 -10.018 1.00 72.10 O ATOM 297 CB PRO A 413 2.610 7.923 -12.560 1.00 22.13 C ATOM 298 CG PRO A 413 2.512 6.467 -12.360 1.00 71.32 C ATOM 299 CD PRO A 413 3.324 6.202 -11.136 1.00 31.33 C ATOM 0 HA PRO A 413 3.020 9.452 -11.006 1.00 2.43 H new ATOM 0 HB2 PRO A 413 1.809 8.293 -13.201 1.00 22.13 H new ATOM 0 HB3 PRO A 413 3.552 8.199 -13.035 1.00 22.13 H new ATOM 0 HG2 PRO A 413 1.477 6.154 -12.225 1.00 71.32 H new ATOM 0 HG3 PRO A 413 2.901 5.921 -13.220 1.00 71.32 H new ATOM 0 HD2 PRO A 413 2.998 5.297 -10.623 1.00 31.33 H new ATOM 0 HD3 PRO A 413 4.380 6.071 -11.373 1.00 31.33 H new ATOM 307 N GLN A 414 0.525 9.959 -11.228 1.00 2.02 N ATOM 308 CA GLN A 414 -0.884 10.402 -10.963 1.00 3.12 C ATOM 309 C GLN A 414 -1.960 9.384 -11.515 1.00 54.30 C ATOM 310 O GLN A 414 -3.090 9.369 -11.023 1.00 33.11 O ATOM 311 CB GLN A 414 -1.079 11.853 -11.533 1.00 11.02 C ATOM 312 CG GLN A 414 -1.872 11.990 -12.873 1.00 43.43 C ATOM 313 CD GLN A 414 -1.400 13.190 -13.674 1.00 24.52 C ATOM 314 OE1 GLN A 414 -1.914 14.294 -13.521 1.00 51.35 O ATOM 315 NE2 GLN A 414 -0.410 12.981 -14.531 1.00 74.22 N ATOM 0 H GLN A 414 1.058 10.613 -11.801 1.00 2.02 H new ATOM 0 HA GLN A 414 -1.047 10.421 -9.885 1.00 3.12 H new ATOM 0 HB2 GLN A 414 -1.589 12.448 -10.776 1.00 11.02 H new ATOM 0 HB3 GLN A 414 -0.093 12.296 -11.676 1.00 11.02 H new ATOM 0 HG2 GLN A 414 -1.748 11.083 -13.465 1.00 43.43 H new ATOM 0 HG3 GLN A 414 -2.936 12.089 -12.660 1.00 43.43 H new ATOM 0 HE21 GLN A 414 -0.009 12.048 -14.629 1.00 74.22 H new ATOM 0 HE22 GLN A 414 -0.049 13.753 -15.092 1.00 74.22 H new ATOM 324 N GLU A 415 -1.606 8.539 -12.534 1.00 30.04 N ATOM 325 CA GLU A 415 -2.500 7.459 -13.042 1.00 4.31 C ATOM 326 C GLU A 415 -2.399 6.158 -12.179 1.00 3.52 C ATOM 327 O GLU A 415 -3.288 5.302 -12.237 1.00 60.25 O ATOM 328 CB GLU A 415 -2.176 7.153 -14.532 1.00 35.22 C ATOM 329 CG GLU A 415 -3.174 7.712 -15.580 1.00 74.43 C ATOM 330 CD GLU A 415 -2.579 7.757 -16.977 1.00 52.01 C ATOM 331 OE1 GLU A 415 -2.511 6.702 -17.645 1.00 53.43 O ATOM 332 OE2 GLU A 415 -2.177 8.855 -17.411 1.00 63.52 O ATOM 0 H GLU A 415 -0.708 8.589 -13.015 1.00 30.04 H new ATOM 0 HA GLU A 415 -3.527 7.817 -12.965 1.00 4.31 H new ATOM 0 HB2 GLU A 415 -1.186 7.551 -14.756 1.00 35.22 H new ATOM 0 HB3 GLU A 415 -2.120 6.071 -14.655 1.00 35.22 H new ATOM 0 HG2 GLU A 415 -4.071 7.093 -15.590 1.00 74.43 H new ATOM 0 HG3 GLU A 415 -3.482 8.716 -15.286 1.00 74.43 H new ATOM 339 N PHE A 416 -1.310 6.017 -11.404 1.00 43.54 N ATOM 340 CA PHE A 416 -1.128 4.873 -10.429 1.00 10.51 C ATOM 341 C PHE A 416 -1.424 5.317 -8.957 1.00 44.15 C ATOM 342 O PHE A 416 -1.587 6.506 -8.697 1.00 34.13 O ATOM 343 CB PHE A 416 0.238 4.100 -10.588 1.00 11.14 C ATOM 344 CG PHE A 416 0.289 2.914 -11.556 1.00 43.04 C ATOM 345 CD1 PHE A 416 -0.533 2.767 -12.684 1.00 32.12 C ATOM 346 CD2 PHE A 416 1.200 1.910 -11.283 1.00 3.35 C ATOM 347 CE1 PHE A 416 -0.417 1.643 -13.507 1.00 43.50 C ATOM 348 CE2 PHE A 416 1.307 0.795 -12.090 1.00 71.45 C ATOM 349 CZ PHE A 416 0.502 0.663 -13.198 1.00 15.34 C ATOM 0 H PHE A 416 -0.528 6.671 -11.418 1.00 43.54 H new ATOM 0 HA PHE A 416 -1.881 4.130 -10.693 1.00 10.51 H new ATOM 0 HB2 PHE A 416 0.993 4.820 -10.903 1.00 11.14 H new ATOM 0 HB3 PHE A 416 0.533 3.739 -9.603 1.00 11.14 H new ATOM 0 HD1 PHE A 416 -1.262 3.529 -12.918 1.00 32.12 H new ATOM 0 HD2 PHE A 416 1.842 2.000 -10.419 1.00 3.35 H new ATOM 0 HE1 PHE A 416 -1.044 1.543 -14.381 1.00 43.50 H new ATOM 0 HE2 PHE A 416 2.025 0.024 -11.851 1.00 71.45 H new ATOM 0 HZ PHE A 416 0.590 -0.210 -13.827 1.00 15.34 H new ATOM 359 N GLY A 417 -1.615 4.350 -8.024 1.00 53.13 N ATOM 360 CA GLY A 417 -2.330 4.593 -6.751 1.00 31.12 C ATOM 361 C GLY A 417 -2.501 3.268 -5.973 1.00 21.22 C ATOM 362 O GLY A 417 -1.623 2.421 -6.085 1.00 4.41 O ATOM 0 H GLY A 417 -1.281 3.392 -8.133 1.00 53.13 H new ATOM 0 HA2 GLY A 417 -1.776 5.310 -6.145 1.00 31.12 H new ATOM 0 HA3 GLY A 417 -3.306 5.034 -6.952 1.00 31.12 H new ATOM 366 N ASP A 418 -3.600 3.070 -5.195 1.00 72.41 N ATOM 367 CA ASP A 418 -3.692 1.889 -4.282 1.00 32.00 C ATOM 368 C ASP A 418 -4.237 0.566 -4.890 1.00 43.44 C ATOM 369 O ASP A 418 -3.536 -0.453 -4.794 1.00 21.45 O ATOM 370 CB ASP A 418 -4.400 2.198 -2.931 1.00 63.15 C ATOM 371 CG ASP A 418 -5.772 2.832 -3.071 1.00 53.15 C ATOM 372 OD1 ASP A 418 -5.845 4.075 -3.169 1.00 51.23 O ATOM 373 OD2 ASP A 418 -6.772 2.090 -3.055 1.00 21.42 O ATOM 0 H ASP A 418 -4.411 3.688 -5.177 1.00 72.41 H new ATOM 0 HA ASP A 418 -2.636 1.694 -4.093 1.00 32.00 H new ATOM 0 HB2 ASP A 418 -4.498 1.271 -2.366 1.00 63.15 H new ATOM 0 HB3 ASP A 418 -3.764 2.862 -2.346 1.00 63.15 H new ATOM 378 N GLN A 419 -5.475 0.525 -5.468 1.00 60.22 N ATOM 379 CA GLN A 419 -6.013 -0.717 -6.040 1.00 0.21 C ATOM 380 C GLN A 419 -5.293 -1.033 -7.375 1.00 14.04 C ATOM 381 O GLN A 419 -4.969 -2.192 -7.666 1.00 61.44 O ATOM 382 CB GLN A 419 -7.570 -0.651 -6.221 1.00 31.15 C ATOM 383 CG GLN A 419 -8.186 -1.864 -6.961 1.00 13.40 C ATOM 384 CD GLN A 419 -8.179 -1.737 -8.490 1.00 45.51 C ATOM 385 OE1 GLN A 419 -8.328 -0.647 -9.042 1.00 32.53 O ATOM 386 NE2 GLN A 419 -7.927 -2.848 -9.165 1.00 25.01 N ATOM 0 H GLN A 419 -6.098 1.330 -5.542 1.00 60.22 H new ATOM 0 HA GLN A 419 -5.821 -1.530 -5.340 1.00 0.21 H new ATOM 0 HB2 GLN A 419 -8.033 -0.568 -5.238 1.00 31.15 H new ATOM 0 HB3 GLN A 419 -7.821 0.257 -6.769 1.00 31.15 H new ATOM 0 HG2 GLN A 419 -7.638 -2.763 -6.680 1.00 13.40 H new ATOM 0 HG3 GLN A 419 -9.214 -1.998 -6.623 1.00 13.40 H new ATOM 0 HE21 GLN A 419 -7.810 -3.731 -8.668 1.00 25.01 H new ATOM 0 HE22 GLN A 419 -7.850 -2.821 -10.182 1.00 25.01 H new ATOM 395 N ASP A 420 -5.021 0.027 -8.158 1.00 63.44 N ATOM 396 CA ASP A 420 -4.351 -0.058 -9.485 1.00 61.42 C ATOM 397 C ASP A 420 -2.859 -0.478 -9.409 1.00 1.41 C ATOM 398 O ASP A 420 -2.195 -0.579 -10.437 1.00 71.44 O ATOM 399 CB ASP A 420 -4.488 1.232 -10.331 1.00 1.13 C ATOM 400 CG ASP A 420 -4.891 2.450 -9.522 1.00 42.43 C ATOM 401 OD1 ASP A 420 -4.075 2.941 -8.747 1.00 1.12 O ATOM 402 OD2 ASP A 420 -6.056 2.889 -9.646 1.00 21.05 O ATOM 0 H ASP A 420 -5.260 0.982 -7.891 1.00 63.44 H new ATOM 0 HA ASP A 420 -4.895 -0.855 -9.992 1.00 61.42 H new ATOM 0 HB2 ASP A 420 -3.538 1.434 -10.827 1.00 1.13 H new ATOM 0 HB3 ASP A 420 -5.228 1.066 -11.114 1.00 1.13 H new ATOM 407 N ILE A 421 -2.312 -0.669 -8.191 1.00 72.52 N ATOM 408 CA ILE A 421 -0.829 -0.841 -7.990 1.00 34.42 C ATOM 409 C ILE A 421 -0.430 -2.285 -8.404 1.00 31.15 C ATOM 410 O ILE A 421 0.737 -2.607 -8.651 1.00 52.20 O ATOM 411 CB ILE A 421 -0.397 -0.493 -6.500 1.00 65.24 C ATOM 412 CG1 ILE A 421 1.039 0.187 -6.387 1.00 50.15 C ATOM 413 CG2 ILE A 421 -0.475 -1.736 -5.591 1.00 35.41 C ATOM 414 CD1 ILE A 421 1.264 0.980 -5.067 1.00 73.25 C ATOM 0 H ILE A 421 -2.856 -0.710 -7.329 1.00 72.52 H new ATOM 0 HA ILE A 421 -0.290 -0.137 -8.625 1.00 34.42 H new ATOM 0 HB ILE A 421 -1.117 0.250 -6.156 1.00 65.24 H new ATOM 0 HG12 ILE A 421 1.803 -0.586 -6.468 1.00 50.15 H new ATOM 0 HG13 ILE A 421 1.177 0.862 -7.232 1.00 50.15 H new ATOM 0 HG21 ILE A 421 -0.174 -1.466 -4.579 1.00 35.41 H new ATOM 0 HG22 ILE A 421 -1.498 -2.113 -5.577 1.00 35.41 H new ATOM 0 HG23 ILE A 421 0.191 -2.509 -5.974 1.00 35.41 H new ATOM 0 HD11 ILE A 421 2.265 1.412 -5.068 1.00 73.25 H new ATOM 0 HD12 ILE A 421 0.525 1.777 -4.991 1.00 73.25 H new ATOM 0 HD13 ILE A 421 1.160 0.307 -4.216 1.00 73.25 H new ATOM 426 N LEU A 422 -1.474 -3.108 -8.491 1.00 20.31 N ATOM 427 CA LEU A 422 -1.422 -4.487 -8.889 1.00 40.11 C ATOM 428 C LEU A 422 -1.266 -4.581 -10.459 1.00 72.42 C ATOM 429 O LEU A 422 -0.844 -5.623 -10.952 1.00 62.45 O ATOM 430 CB LEU A 422 -2.680 -5.229 -8.249 1.00 1.42 C ATOM 431 CG LEU A 422 -3.126 -6.625 -8.757 1.00 42.12 C ATOM 432 CD1 LEU A 422 -3.862 -7.385 -7.649 1.00 41.43 C ATOM 433 CD2 LEU A 422 -4.089 -6.505 -9.936 1.00 72.04 C ATOM 0 H LEU A 422 -2.422 -2.801 -8.271 1.00 20.31 H new ATOM 0 HA LEU A 422 -0.546 -5.012 -8.509 1.00 40.11 H new ATOM 0 HB2 LEU A 422 -2.485 -5.325 -7.181 1.00 1.42 H new ATOM 0 HB3 LEU A 422 -3.535 -4.561 -8.358 1.00 1.42 H new ATOM 0 HG LEU A 422 -2.223 -7.154 -9.062 1.00 42.12 H new ATOM 0 HD11 LEU A 422 -4.169 -8.363 -8.020 1.00 41.43 H new ATOM 0 HD12 LEU A 422 -3.199 -7.514 -6.794 1.00 41.43 H new ATOM 0 HD13 LEU A 422 -4.743 -6.820 -7.344 1.00 41.43 H new ATOM 0 HD21 LEU A 422 -4.383 -7.501 -10.269 1.00 72.04 H new ATOM 0 HD22 LEU A 422 -4.975 -5.950 -9.627 1.00 72.04 H new ATOM 0 HD23 LEU A 422 -3.598 -5.979 -10.755 1.00 72.04 H new ATOM 445 N GLN A 423 -1.556 -3.464 -11.238 1.00 20.01 N ATOM 446 CA GLN A 423 -1.456 -3.445 -12.714 1.00 21.33 C ATOM 447 C GLN A 423 0.015 -3.618 -13.229 1.00 73.31 C ATOM 448 O GLN A 423 0.201 -3.929 -14.402 1.00 34.12 O ATOM 449 CB GLN A 423 -2.069 -2.143 -13.309 1.00 63.35 C ATOM 450 CG GLN A 423 -3.583 -1.987 -13.099 1.00 50.23 C ATOM 451 CD GLN A 423 -4.198 -1.054 -14.110 1.00 72.21 C ATOM 452 OE1 GLN A 423 -4.313 0.143 -13.877 1.00 62.43 O ATOM 453 NE2 GLN A 423 -4.583 -1.605 -15.245 1.00 43.43 N ATOM 0 H GLN A 423 -1.860 -2.575 -10.840 1.00 20.01 H new ATOM 0 HA GLN A 423 -2.031 -4.304 -13.060 1.00 21.33 H new ATOM 0 HB2 GLN A 423 -1.565 -1.285 -12.864 1.00 63.35 H new ATOM 0 HB3 GLN A 423 -1.860 -2.116 -14.379 1.00 63.35 H new ATOM 0 HG2 GLN A 423 -4.062 -2.964 -13.168 1.00 50.23 H new ATOM 0 HG3 GLN A 423 -3.773 -1.610 -12.094 1.00 50.23 H new ATOM 0 HE21 GLN A 423 -4.466 -2.608 -15.391 1.00 43.43 H new ATOM 0 HE22 GLN A 423 -4.998 -1.028 -15.977 1.00 43.43 H new ATOM 462 N MET A 424 1.050 -3.439 -12.353 1.00 60.43 N ATOM 463 CA MET A 424 2.482 -3.442 -12.794 1.00 31.15 C ATOM 464 C MET A 424 3.169 -4.841 -12.708 1.00 33.05 C ATOM 465 O MET A 424 3.739 -5.293 -13.705 1.00 63.43 O ATOM 466 CB MET A 424 3.337 -2.402 -12.009 1.00 2.51 C ATOM 467 CG MET A 424 4.038 -1.303 -12.848 1.00 62.31 C ATOM 468 SD MET A 424 5.401 -1.927 -13.850 1.00 1.35 S ATOM 469 CE MET A 424 6.046 -0.393 -14.521 1.00 24.53 C ATOM 0 H MET A 424 0.923 -3.293 -11.352 1.00 60.43 H new ATOM 0 HA MET A 424 2.441 -3.162 -13.847 1.00 31.15 H new ATOM 0 HB2 MET A 424 2.692 -1.913 -11.278 1.00 2.51 H new ATOM 0 HB3 MET A 424 4.101 -2.942 -11.449 1.00 2.51 H new ATOM 0 HG2 MET A 424 3.304 -0.831 -13.501 1.00 62.31 H new ATOM 0 HG3 MET A 424 4.414 -0.529 -12.178 1.00 62.31 H new ATOM 0 HE1 MET A 424 6.898 -0.608 -15.166 1.00 24.53 H new ATOM 0 HE2 MET A 424 5.269 0.106 -15.100 1.00 24.53 H new ATOM 0 HE3 MET A 424 6.363 0.256 -13.705 1.00 24.53 H new ATOM 479 N PHE A 425 3.146 -5.522 -11.521 1.00 32.04 N ATOM 480 CA PHE A 425 3.910 -6.779 -11.288 1.00 62.22 C ATOM 481 C PHE A 425 3.144 -8.056 -11.704 1.00 24.22 C ATOM 482 O PHE A 425 3.645 -9.160 -11.513 1.00 73.15 O ATOM 483 CB PHE A 425 4.377 -6.896 -9.826 1.00 20.11 C ATOM 484 CG PHE A 425 5.479 -5.939 -9.381 1.00 41.45 C ATOM 485 CD1 PHE A 425 5.256 -4.564 -9.168 1.00 44.33 C ATOM 486 CD2 PHE A 425 6.758 -6.433 -9.129 1.00 35.11 C ATOM 487 CE1 PHE A 425 6.269 -3.752 -8.728 1.00 24.24 C ATOM 488 CE2 PHE A 425 7.762 -5.602 -8.695 1.00 64.25 C ATOM 489 CZ PHE A 425 7.522 -4.265 -8.491 1.00 22.23 C ATOM 0 H PHE A 425 2.604 -5.216 -10.713 1.00 32.04 H new ATOM 0 HA PHE A 425 4.783 -6.707 -11.937 1.00 62.22 H new ATOM 0 HB2 PHE A 425 3.513 -6.744 -9.179 1.00 20.11 H new ATOM 0 HB3 PHE A 425 4.724 -7.916 -9.660 1.00 20.11 H new ATOM 0 HD1 PHE A 425 4.278 -4.146 -9.353 1.00 44.33 H new ATOM 0 HD2 PHE A 425 6.962 -7.483 -9.277 1.00 35.11 H new ATOM 0 HE1 PHE A 425 6.081 -2.701 -8.566 1.00 24.24 H new ATOM 0 HE2 PHE A 425 8.748 -6.003 -8.513 1.00 64.25 H new ATOM 0 HZ PHE A 425 8.315 -3.619 -8.145 1.00 22.23 H new ATOM 499 N MET A 426 1.913 -7.889 -12.219 1.00 72.43 N ATOM 500 CA MET A 426 1.059 -8.987 -12.703 1.00 22.31 C ATOM 501 C MET A 426 1.699 -9.689 -13.932 1.00 54.31 C ATOM 502 O MET A 426 1.768 -10.921 -13.939 1.00 21.40 O ATOM 503 CB MET A 426 -0.356 -8.478 -13.051 1.00 23.40 C ATOM 504 CG MET A 426 -1.365 -8.664 -11.930 1.00 74.55 C ATOM 505 SD MET A 426 -1.761 -10.405 -11.674 1.00 41.42 S ATOM 506 CE MET A 426 -2.287 -10.414 -9.968 1.00 24.13 C ATOM 0 H MET A 426 1.477 -6.972 -12.312 1.00 72.43 H new ATOM 0 HA MET A 426 0.971 -9.716 -11.898 1.00 22.31 H new ATOM 0 HB2 MET A 426 -0.299 -7.420 -13.305 1.00 23.40 H new ATOM 0 HB3 MET A 426 -0.712 -9.000 -13.939 1.00 23.40 H new ATOM 0 HG2 MET A 426 -0.967 -8.242 -11.008 1.00 74.55 H new ATOM 0 HG3 MET A 426 -2.276 -8.114 -12.165 1.00 74.55 H new ATOM 0 HE1 MET A 426 -1.588 -11.003 -9.375 1.00 24.13 H new ATOM 0 HE2 MET A 426 -2.312 -9.392 -9.590 1.00 24.13 H new ATOM 0 HE3 MET A 426 -3.283 -10.852 -9.897 1.00 24.13 H new ATOM 516 N PRO A 427 2.188 -8.942 -15.004 1.00 50.21 N ATOM 517 CA PRO A 427 2.994 -9.565 -16.065 1.00 14.54 C ATOM 518 C PRO A 427 4.376 -10.014 -15.575 1.00 14.23 C ATOM 519 O PRO A 427 4.922 -10.993 -16.077 1.00 75.20 O ATOM 520 CB PRO A 427 3.155 -8.490 -17.156 1.00 1.04 C ATOM 521 CG PRO A 427 2.351 -7.306 -16.743 1.00 32.41 C ATOM 522 CD PRO A 427 1.936 -7.499 -15.311 1.00 23.01 C ATOM 0 HA PRO A 427 2.497 -10.465 -16.426 1.00 14.54 H new ATOM 0 HB2 PRO A 427 4.204 -8.218 -17.274 1.00 1.04 H new ATOM 0 HB3 PRO A 427 2.813 -8.868 -18.120 1.00 1.04 H new ATOM 0 HG2 PRO A 427 2.936 -6.393 -16.850 1.00 32.41 H new ATOM 0 HG3 PRO A 427 1.475 -7.200 -17.382 1.00 32.41 H new ATOM 0 HD2 PRO A 427 2.510 -6.852 -14.647 1.00 23.01 H new ATOM 0 HD3 PRO A 427 0.885 -7.247 -15.171 1.00 23.01 H new ATOM 530 N PHE A 428 4.938 -9.287 -14.591 1.00 64.12 N ATOM 531 CA PHE A 428 6.203 -9.666 -13.967 1.00 45.33 C ATOM 532 C PHE A 428 6.052 -10.798 -12.879 1.00 52.32 C ATOM 533 O PHE A 428 7.011 -11.017 -12.128 1.00 14.04 O ATOM 534 CB PHE A 428 6.981 -8.413 -13.383 1.00 74.43 C ATOM 535 CG PHE A 428 7.458 -7.368 -14.398 1.00 74.24 C ATOM 536 CD1 PHE A 428 8.316 -7.721 -15.433 1.00 3.40 C ATOM 537 CD2 PHE A 428 7.080 -6.024 -14.295 1.00 14.20 C ATOM 538 CE1 PHE A 428 8.781 -6.770 -16.334 1.00 52.44 C ATOM 539 CE2 PHE A 428 7.549 -5.079 -15.197 1.00 22.00 C ATOM 540 CZ PHE A 428 8.398 -5.455 -16.211 1.00 4.35 C ATOM 0 H PHE A 428 4.528 -8.432 -14.215 1.00 64.12 H new ATOM 0 HA PHE A 428 6.804 -10.089 -14.772 1.00 45.33 H new ATOM 0 HB2 PHE A 428 6.333 -7.916 -12.661 1.00 74.43 H new ATOM 0 HB3 PHE A 428 7.850 -8.777 -12.834 1.00 74.43 H new ATOM 0 HD1 PHE A 428 8.626 -8.750 -15.539 1.00 3.40 H new ATOM 0 HD2 PHE A 428 6.414 -5.718 -13.502 1.00 14.20 H new ATOM 0 HE1 PHE A 428 9.445 -7.065 -17.133 1.00 52.44 H new ATOM 0 HE2 PHE A 428 7.247 -4.047 -15.102 1.00 22.00 H new ATOM 0 HZ PHE A 428 8.764 -4.718 -16.911 1.00 4.35 H new ATOM 550 N GLY A 429 4.893 -11.558 -12.790 1.00 23.44 N ATOM 551 CA GLY A 429 4.876 -12.737 -11.887 1.00 31.51 C ATOM 552 C GLY A 429 3.742 -12.795 -10.768 1.00 11.33 C ATOM 553 O GLY A 429 2.734 -12.094 -10.892 1.00 2.55 O ATOM 0 H GLY A 429 4.028 -11.378 -13.300 1.00 23.44 H new ATOM 0 HA2 GLY A 429 4.785 -13.631 -12.504 1.00 31.51 H new ATOM 0 HA3 GLY A 429 5.843 -12.791 -11.388 1.00 31.51 H new ATOM 557 N ASN A 430 3.889 -13.704 -9.702 1.00 24.13 N ATOM 558 CA ASN A 430 2.909 -13.870 -8.535 1.00 23.41 C ATOM 559 C ASN A 430 2.710 -12.532 -7.670 1.00 52.33 C ATOM 560 O ASN A 430 3.576 -12.229 -6.841 1.00 4.22 O ATOM 561 CB ASN A 430 3.441 -15.022 -7.586 1.00 45.00 C ATOM 562 CG ASN A 430 2.530 -15.319 -6.379 1.00 64.13 C ATOM 563 OD1 ASN A 430 3.010 -15.456 -5.256 1.00 33.45 O ATOM 564 ND2 ASN A 430 1.223 -15.466 -6.605 1.00 10.31 N ATOM 0 H ASN A 430 4.688 -14.335 -9.636 1.00 24.13 H new ATOM 0 HA ASN A 430 1.938 -14.115 -8.965 1.00 23.41 H new ATOM 0 HB2 ASN A 430 3.558 -15.934 -8.171 1.00 45.00 H new ATOM 0 HB3 ASN A 430 4.431 -14.748 -7.221 1.00 45.00 H new ATOM 0 HD21 ASN A 430 0.595 -15.698 -5.835 1.00 10.31 H new ATOM 0 HD22 ASN A 430 0.852 -15.346 -7.548 1.00 10.31 H new ATOM 571 N VAL A 431 1.605 -11.697 -7.861 1.00 2.41 N ATOM 572 CA VAL A 431 1.225 -10.641 -6.845 1.00 24.35 C ATOM 573 C VAL A 431 -0.105 -11.040 -6.099 1.00 34.34 C ATOM 574 O VAL A 431 -1.123 -11.220 -6.762 1.00 5.43 O ATOM 575 CB VAL A 431 1.194 -9.144 -7.428 1.00 22.30 C ATOM 576 CG1 VAL A 431 0.745 -8.990 -8.880 1.00 63.33 C ATOM 577 CG2 VAL A 431 0.339 -8.196 -6.604 1.00 11.44 C ATOM 0 H VAL A 431 0.993 -11.739 -8.676 1.00 2.41 H new ATOM 0 HA VAL A 431 2.029 -10.616 -6.109 1.00 24.35 H new ATOM 0 HB VAL A 431 2.251 -8.883 -7.371 1.00 22.30 H new ATOM 0 HG11 VAL A 431 0.766 -7.936 -9.157 1.00 63.33 H new ATOM 0 HG12 VAL A 431 1.417 -9.550 -9.530 1.00 63.33 H new ATOM 0 HG13 VAL A 431 -0.269 -9.374 -8.990 1.00 63.33 H new ATOM 0 HG21 VAL A 431 0.362 -7.203 -7.052 1.00 11.44 H new ATOM 0 HG22 VAL A 431 -0.688 -8.560 -6.580 1.00 11.44 H new ATOM 0 HG23 VAL A 431 0.729 -8.144 -5.588 1.00 11.44 H new ATOM 587 N ILE A 432 -0.102 -11.197 -4.721 1.00 3.31 N ATOM 588 CA ILE A 432 -1.302 -11.784 -3.989 1.00 21.34 C ATOM 589 C ILE A 432 -2.151 -10.767 -3.154 1.00 4.43 C ATOM 590 O ILE A 432 -3.300 -11.091 -2.837 1.00 34.12 O ATOM 591 CB ILE A 432 -0.907 -13.037 -3.062 1.00 62.23 C ATOM 592 CG1 ILE A 432 0.551 -12.864 -2.488 1.00 32.21 C ATOM 593 CG2 ILE A 432 -1.084 -14.385 -3.792 1.00 63.32 C ATOM 594 CD1 ILE A 432 1.193 -14.069 -1.756 1.00 51.11 C ATOM 0 H ILE A 432 0.679 -10.939 -4.117 1.00 3.31 H new ATOM 0 HA ILE A 432 -1.941 -12.116 -4.807 1.00 21.34 H new ATOM 0 HB ILE A 432 -1.600 -13.056 -2.221 1.00 62.23 H new ATOM 0 HG12 ILE A 432 1.205 -12.589 -3.316 1.00 32.21 H new ATOM 0 HG13 ILE A 432 0.540 -12.021 -1.797 1.00 32.21 H new ATOM 0 HG21 ILE A 432 -0.804 -15.200 -3.124 1.00 63.32 H new ATOM 0 HG22 ILE A 432 -2.125 -14.502 -4.092 1.00 63.32 H new ATOM 0 HG23 ILE A 432 -0.447 -14.406 -4.676 1.00 63.32 H new ATOM 0 HD11 ILE A 432 2.194 -13.799 -1.419 1.00 51.11 H new ATOM 0 HD12 ILE A 432 0.581 -14.340 -0.896 1.00 51.11 H new ATOM 0 HD13 ILE A 432 1.257 -14.917 -2.438 1.00 51.11 H new ATOM 606 N SER A 433 -1.649 -9.550 -2.834 1.00 24.43 N ATOM 607 CA SER A 433 -2.384 -8.617 -1.912 1.00 55.42 C ATOM 608 C SER A 433 -1.679 -7.228 -1.899 1.00 74.14 C ATOM 609 O SER A 433 -0.465 -7.231 -1.636 1.00 42.03 O ATOM 610 CB SER A 433 -2.331 -9.161 -0.460 1.00 50.45 C ATOM 611 OG SER A 433 -3.278 -8.512 0.369 1.00 45.22 O ATOM 0 H SER A 433 -0.762 -9.188 -3.184 1.00 24.43 H new ATOM 0 HA SER A 433 -3.413 -8.533 -2.261 1.00 55.42 H new ATOM 0 HB2 SER A 433 -2.524 -10.234 -0.464 1.00 50.45 H new ATOM 0 HB3 SER A 433 -1.330 -9.018 -0.053 1.00 50.45 H new ATOM 0 HG SER A 433 -3.454 -9.065 1.159 1.00 45.22 H new ATOM 617 N ALA A 434 -2.361 -6.028 -2.124 1.00 24.23 N ATOM 618 CA ALA A 434 -1.552 -4.772 -2.221 1.00 55.51 C ATOM 619 C ALA A 434 -2.281 -3.432 -2.089 1.00 1.50 C ATOM 620 O ALA A 434 -3.373 -3.230 -2.629 1.00 44.32 O ATOM 621 CB ALA A 434 -0.774 -4.777 -3.504 1.00 72.23 C ATOM 0 H ALA A 434 -3.370 -5.924 -2.230 1.00 24.23 H new ATOM 0 HA ALA A 434 -0.923 -4.814 -1.332 1.00 55.51 H new ATOM 0 HB1 ALA A 434 -0.185 -3.863 -3.576 1.00 72.23 H new ATOM 0 HB2 ALA A 434 -0.109 -5.640 -3.523 1.00 72.23 H new ATOM 0 HB3 ALA A 434 -1.463 -4.832 -4.347 1.00 72.23 H new ATOM 627 N LYS A 435 -1.600 -2.508 -1.361 1.00 62.11 N ATOM 628 CA LYS A 435 -2.079 -1.106 -1.123 1.00 43.25 C ATOM 629 C LYS A 435 -0.922 -0.093 -0.799 1.00 25.31 C ATOM 630 O LYS A 435 0.145 -0.529 -0.362 1.00 22.22 O ATOM 631 CB LYS A 435 -3.058 -1.103 0.061 1.00 12.15 C ATOM 632 CG LYS A 435 -2.882 -2.279 1.024 1.00 20.11 C ATOM 633 CD LYS A 435 -3.974 -2.321 2.074 1.00 53.01 C ATOM 634 CE LYS A 435 -3.809 -1.200 3.089 1.00 61.14 C ATOM 635 NZ LYS A 435 -2.531 -1.326 3.839 1.00 34.43 N ATOM 0 H LYS A 435 -0.702 -2.707 -0.919 1.00 62.11 H new ATOM 0 HA LYS A 435 -2.552 -0.780 -2.049 1.00 43.25 H new ATOM 0 HB2 LYS A 435 -2.937 -0.173 0.616 1.00 12.15 H new ATOM 0 HB3 LYS A 435 -4.077 -1.114 -0.325 1.00 12.15 H new ATOM 0 HG2 LYS A 435 -2.884 -3.212 0.461 1.00 20.11 H new ATOM 0 HG3 LYS A 435 -1.911 -2.205 1.514 1.00 20.11 H new ATOM 0 HD2 LYS A 435 -4.948 -2.237 1.592 1.00 53.01 H new ATOM 0 HD3 LYS A 435 -3.953 -3.283 2.585 1.00 53.01 H new ATOM 0 HE2 LYS A 435 -3.838 -0.238 2.578 1.00 61.14 H new ATOM 0 HE3 LYS A 435 -4.645 -1.215 3.788 1.00 61.14 H new ATOM 0 HZ1 LYS A 435 -2.592 -0.782 4.723 1.00 34.43 H new ATOM 0 HZ2 LYS A 435 -2.355 -2.327 4.060 1.00 34.43 H new ATOM 0 HZ3 LYS A 435 -1.750 -0.957 3.259 1.00 34.43 H new ATOM 649 N VAL A 436 -1.133 1.265 -1.001 1.00 55.51 N ATOM 650 CA VAL A 436 -0.236 2.296 -0.385 1.00 63.13 C ATOM 651 C VAL A 436 -0.547 2.477 1.113 1.00 74.31 C ATOM 652 O VAL A 436 -1.684 2.816 1.451 1.00 42.42 O ATOM 653 CB VAL A 436 -0.263 3.749 -1.069 1.00 21.22 C ATOM 654 CG1 VAL A 436 0.865 3.916 -2.058 1.00 53.22 C ATOM 655 CG2 VAL A 436 -1.574 4.178 -1.763 1.00 43.53 C ATOM 0 H VAL A 436 -1.891 1.647 -1.566 1.00 55.51 H new ATOM 0 HA VAL A 436 0.761 1.888 -0.550 1.00 63.13 H new ATOM 0 HB VAL A 436 -0.155 4.406 -0.206 1.00 21.22 H new ATOM 0 HG11 VAL A 436 0.816 4.910 -2.501 1.00 53.22 H new ATOM 0 HG12 VAL A 436 1.819 3.794 -1.546 1.00 53.22 H new ATOM 0 HG13 VAL A 436 0.776 3.164 -2.842 1.00 53.22 H new ATOM 0 HG21 VAL A 436 -1.454 5.177 -2.181 1.00 43.53 H new ATOM 0 HG22 VAL A 436 -1.809 3.476 -2.563 1.00 43.53 H new ATOM 0 HG23 VAL A 436 -2.386 4.184 -1.036 1.00 43.53 H new ATOM 665 N PHE A 437 0.433 2.227 2.044 1.00 54.54 N ATOM 666 CA PHE A 437 0.222 2.663 3.409 1.00 44.15 C ATOM 667 C PHE A 437 0.643 4.143 3.541 1.00 2.43 C ATOM 668 O PHE A 437 1.831 4.491 3.580 1.00 20.14 O ATOM 669 CB PHE A 437 0.911 1.737 4.482 1.00 22.42 C ATOM 670 CG PHE A 437 2.430 1.695 4.544 1.00 72.24 C ATOM 671 CD1 PHE A 437 3.182 1.012 3.595 1.00 15.34 C ATOM 672 CD2 PHE A 437 3.099 2.299 5.603 1.00 71.11 C ATOM 673 CE1 PHE A 437 4.562 0.943 3.706 1.00 52.31 C ATOM 674 CE2 PHE A 437 4.472 2.237 5.706 1.00 24.12 C ATOM 675 CZ PHE A 437 5.205 1.557 4.758 1.00 24.10 C ATOM 0 H PHE A 437 1.317 1.752 1.861 1.00 54.54 H new ATOM 0 HA PHE A 437 -0.842 2.576 3.628 1.00 44.15 H new ATOM 0 HB2 PHE A 437 0.549 2.043 5.464 1.00 22.42 H new ATOM 0 HB3 PHE A 437 0.559 0.719 4.315 1.00 22.42 H new ATOM 0 HD1 PHE A 437 2.687 0.531 2.764 1.00 15.34 H new ATOM 0 HD2 PHE A 437 2.533 2.825 6.357 1.00 71.11 H new ATOM 0 HE1 PHE A 437 5.135 0.406 2.965 1.00 52.31 H new ATOM 0 HE2 PHE A 437 4.974 2.722 6.530 1.00 24.12 H new ATOM 0 HZ PHE A 437 6.281 1.506 4.840 1.00 24.10 H new ATOM 846 N PHE A 448 4.353 5.787 0.693 1.00 54.11 N ATOM 847 CA PHE A 448 5.201 4.582 0.747 1.00 4.22 C ATOM 848 C PHE A 448 4.386 3.251 0.662 1.00 64.52 C ATOM 849 O PHE A 448 3.161 3.265 0.784 1.00 43.41 O ATOM 850 CB PHE A 448 6.091 4.697 2.015 1.00 2.12 C ATOM 851 CG PHE A 448 7.548 4.372 1.763 1.00 53.12 C ATOM 852 CD1 PHE A 448 8.417 5.350 1.292 1.00 52.33 C ATOM 853 CD2 PHE A 448 8.051 3.093 1.969 1.00 41.23 C ATOM 854 CE1 PHE A 448 9.738 5.060 1.038 1.00 41.54 C ATOM 855 CE2 PHE A 448 9.379 2.806 1.709 1.00 12.14 C ATOM 856 CZ PHE A 448 10.220 3.788 1.242 1.00 2.33 C ATOM 0 HA PHE A 448 5.838 4.534 -0.136 1.00 4.22 H new ATOM 0 HB2 PHE A 448 6.016 5.710 2.411 1.00 2.12 H new ATOM 0 HB3 PHE A 448 5.705 4.026 2.782 1.00 2.12 H new ATOM 0 HD1 PHE A 448 8.050 6.352 1.123 1.00 52.33 H new ATOM 0 HD2 PHE A 448 7.398 2.315 2.336 1.00 41.23 H new ATOM 0 HE1 PHE A 448 10.399 5.834 0.677 1.00 41.54 H new ATOM 0 HE2 PHE A 448 9.756 1.807 1.873 1.00 12.14 H new ATOM 0 HZ PHE A 448 11.256 3.562 1.036 1.00 2.33 H new ATOM 866 N GLY A 449 5.090 2.106 0.463 1.00 35.43 N ATOM 867 CA GLY A 449 4.427 0.799 0.063 1.00 74.52 C ATOM 868 C GLY A 449 5.136 -0.485 0.583 1.00 52.45 C ATOM 869 O GLY A 449 6.223 -0.379 1.103 1.00 3.53 O ATOM 0 H GLY A 449 6.103 2.043 0.567 1.00 35.43 H new ATOM 0 HA2 GLY A 449 3.401 0.803 0.430 1.00 74.52 H new ATOM 0 HA3 GLY A 449 4.377 0.753 -1.025 1.00 74.52 H new ATOM 873 N PHE A 450 4.507 -1.697 0.436 1.00 13.12 N ATOM 874 CA PHE A 450 5.151 -3.016 0.846 1.00 11.22 C ATOM 875 C PHE A 450 4.589 -4.187 -0.037 1.00 21.31 C ATOM 876 O PHE A 450 3.451 -4.013 -0.492 1.00 61.05 O ATOM 877 CB PHE A 450 4.957 -3.288 2.407 1.00 34.03 C ATOM 878 CG PHE A 450 3.578 -3.789 2.930 1.00 62.01 C ATOM 879 CD1 PHE A 450 3.031 -5.037 2.574 1.00 55.05 C ATOM 880 CD2 PHE A 450 2.814 -3.001 3.806 1.00 20.34 C ATOM 881 CE1 PHE A 450 1.812 -5.451 3.057 1.00 25.11 C ATOM 882 CE2 PHE A 450 1.594 -3.434 4.277 1.00 42.40 C ATOM 883 CZ PHE A 450 1.094 -4.653 3.901 1.00 53.34 C ATOM 0 H PHE A 450 3.571 -1.799 0.045 1.00 13.12 H new ATOM 0 HA PHE A 450 6.225 -2.956 0.671 1.00 11.22 H new ATOM 0 HB2 PHE A 450 5.706 -4.020 2.707 1.00 34.03 H new ATOM 0 HB3 PHE A 450 5.189 -2.361 2.932 1.00 34.03 H new ATOM 0 HD1 PHE A 450 3.581 -5.683 1.907 1.00 55.05 H new ATOM 0 HD2 PHE A 450 3.190 -2.037 4.116 1.00 20.34 H new ATOM 0 HE1 PHE A 450 1.420 -6.414 2.767 1.00 25.11 H new ATOM 0 HE2 PHE A 450 1.027 -2.807 4.949 1.00 42.40 H new ATOM 0 HZ PHE A 450 0.134 -4.982 4.271 1.00 53.34 H new ATOM 893 N VAL A 451 5.302 -5.374 -0.324 1.00 13.24 N ATOM 894 CA VAL A 451 4.521 -6.518 -0.957 1.00 32.43 C ATOM 895 C VAL A 451 5.182 -7.940 -0.800 1.00 3.41 C ATOM 896 O VAL A 451 6.381 -8.038 -0.536 1.00 41.05 O ATOM 897 CB VAL A 451 4.116 -6.148 -2.473 1.00 65.21 C ATOM 898 CG1 VAL A 451 5.326 -5.827 -3.326 1.00 12.01 C ATOM 899 CG2 VAL A 451 3.233 -7.177 -3.225 1.00 25.35 C ATOM 0 H VAL A 451 6.293 -5.541 -0.148 1.00 13.24 H new ATOM 0 HA VAL A 451 3.601 -6.624 -0.383 1.00 32.43 H new ATOM 0 HB VAL A 451 3.493 -5.265 -2.333 1.00 65.21 H new ATOM 0 HG11 VAL A 451 5.003 -5.584 -4.338 1.00 12.01 H new ATOM 0 HG12 VAL A 451 5.856 -4.975 -2.900 1.00 12.01 H new ATOM 0 HG13 VAL A 451 5.991 -6.691 -3.354 1.00 12.01 H new ATOM 0 HG21 VAL A 451 3.030 -6.814 -4.233 1.00 25.35 H new ATOM 0 HG22 VAL A 451 3.755 -8.132 -3.282 1.00 25.35 H new ATOM 0 HG23 VAL A 451 2.292 -7.309 -2.690 1.00 25.35 H new ATOM 909 N SER A 452 4.360 -9.041 -0.938 1.00 42.25 N ATOM 910 CA SER A 452 4.795 -10.437 -0.820 1.00 12.32 C ATOM 911 C SER A 452 5.070 -11.054 -2.221 1.00 41.34 C ATOM 912 O SER A 452 4.167 -11.043 -3.058 1.00 1.42 O ATOM 913 CB SER A 452 3.612 -11.218 -0.145 1.00 64.42 C ATOM 914 OG SER A 452 3.981 -12.563 0.120 1.00 52.13 O ATOM 0 H SER A 452 3.364 -8.953 -1.138 1.00 42.25 H new ATOM 0 HA SER A 452 5.715 -10.498 -0.239 1.00 12.32 H new ATOM 0 HB2 SER A 452 3.328 -10.724 0.784 1.00 64.42 H new ATOM 0 HB3 SER A 452 2.738 -11.198 -0.797 1.00 64.42 H new ATOM 0 HG SER A 452 4.943 -12.674 -0.030 1.00 52.13 H new ATOM 920 N TYR A 453 6.306 -11.589 -2.507 1.00 11.40 N ATOM 921 CA TYR A 453 6.488 -12.377 -3.737 1.00 62.51 C ATOM 922 C TYR A 453 7.005 -13.791 -3.322 1.00 61.44 C ATOM 923 O TYR A 453 7.929 -13.777 -2.508 1.00 42.25 O ATOM 924 CB TYR A 453 7.470 -11.578 -4.692 1.00 75.31 C ATOM 925 CG TYR A 453 7.543 -12.110 -6.136 1.00 42.44 C ATOM 926 CD1 TYR A 453 7.920 -13.428 -6.483 1.00 44.21 C ATOM 927 CD2 TYR A 453 7.196 -11.267 -7.186 1.00 21.01 C ATOM 928 CE1 TYR A 453 7.936 -13.841 -7.801 1.00 13.52 C ATOM 929 CE2 TYR A 453 7.211 -11.664 -8.466 1.00 32.25 C ATOM 930 CZ TYR A 453 7.583 -12.953 -8.793 1.00 72.10 C ATOM 931 OH TYR A 453 7.606 -13.366 -10.105 1.00 11.40 O ATOM 0 H TYR A 453 7.138 -11.487 -1.925 1.00 11.40 H new ATOM 0 HA TYR A 453 5.564 -12.527 -4.295 1.00 62.51 H new ATOM 0 HB2 TYR A 453 7.157 -10.534 -4.720 1.00 75.31 H new ATOM 0 HB3 TYR A 453 8.471 -11.600 -4.261 1.00 75.31 H new ATOM 0 HD1 TYR A 453 8.200 -14.123 -5.705 1.00 44.21 H new ATOM 0 HD2 TYR A 453 6.903 -10.252 -6.961 1.00 21.01 H new ATOM 0 HE1 TYR A 453 8.223 -14.852 -8.052 1.00 13.52 H new ATOM 0 HE2 TYR A 453 6.931 -10.972 -9.246 1.00 32.25 H new ATOM 0 HH TYR A 453 7.792 -12.599 -10.686 1.00 11.40 H new ATOM 941 N ASP A 454 6.405 -14.985 -3.840 1.00 21.21 N ATOM 942 CA ASP A 454 6.835 -16.390 -3.470 1.00 32.43 C ATOM 943 C ASP A 454 8.068 -16.542 -2.554 1.00 15.05 C ATOM 944 O ASP A 454 7.928 -16.694 -1.343 1.00 24.43 O ATOM 945 CB ASP A 454 7.088 -17.235 -4.711 1.00 54.43 C ATOM 946 CG ASP A 454 5.848 -17.607 -5.492 1.00 73.13 C ATOM 947 OD1 ASP A 454 5.034 -18.404 -4.985 1.00 13.22 O ATOM 948 OD2 ASP A 454 5.720 -17.130 -6.635 1.00 60.41 O ATOM 0 H ASP A 454 5.633 -14.966 -4.506 1.00 21.21 H new ATOM 0 HA ASP A 454 5.981 -16.733 -2.886 1.00 32.43 H new ATOM 0 HB2 ASP A 454 7.766 -16.692 -5.370 1.00 54.43 H new ATOM 0 HB3 ASP A 454 7.599 -18.150 -4.412 1.00 54.43 H new ATOM 953 N ASN A 455 9.267 -16.482 -3.158 1.00 45.23 N ATOM 954 CA ASN A 455 10.538 -16.670 -2.473 1.00 73.14 C ATOM 955 C ASN A 455 11.660 -15.930 -3.238 1.00 1.51 C ATOM 956 O ASN A 455 11.626 -15.889 -4.471 1.00 63.51 O ATOM 957 CB ASN A 455 10.836 -18.176 -2.327 1.00 60.43 C ATOM 958 CG ASN A 455 11.415 -18.496 -0.965 1.00 33.51 C ATOM 959 OD1 ASN A 455 12.628 -18.604 -0.791 1.00 62.24 O ATOM 960 ND2 ASN A 455 10.528 -18.607 0.016 1.00 42.14 N ATOM 0 H ASN A 455 9.372 -16.297 -4.156 1.00 45.23 H new ATOM 0 HA ASN A 455 10.485 -16.245 -1.471 1.00 73.14 H new ATOM 0 HB2 ASN A 455 9.919 -18.746 -2.477 1.00 60.43 H new ATOM 0 HB3 ASN A 455 11.535 -18.487 -3.103 1.00 60.43 H new ATOM 0 HD21 ASN A 455 10.842 -18.791 0.969 1.00 42.14 H new ATOM 0 HD22 ASN A 455 9.532 -18.509 -0.183 1.00 42.14 H new ATOM 967 N PRO A 456 12.604 -15.237 -2.518 1.00 13.43 N ATOM 968 CA PRO A 456 13.729 -14.428 -3.097 1.00 11.51 C ATOM 969 C PRO A 456 14.515 -14.897 -4.382 1.00 21.41 C ATOM 970 O PRO A 456 15.268 -14.072 -4.907 1.00 61.25 O ATOM 971 CB PRO A 456 14.714 -14.282 -1.915 1.00 62.34 C ATOM 972 CG PRO A 456 14.064 -14.926 -0.728 1.00 74.44 C ATOM 973 CD PRO A 456 12.604 -15.036 -1.036 1.00 63.52 C ATOM 0 HA PRO A 456 13.262 -13.531 -3.503 1.00 11.51 H new ATOM 0 HB2 PRO A 456 15.665 -14.763 -2.143 1.00 62.34 H new ATOM 0 HB3 PRO A 456 14.927 -13.232 -1.717 1.00 62.34 H new ATOM 0 HG2 PRO A 456 14.494 -15.910 -0.539 1.00 74.44 H new ATOM 0 HG3 PRO A 456 14.225 -14.330 0.170 1.00 74.44 H new ATOM 0 HD2 PRO A 456 12.140 -15.872 -0.512 1.00 63.52 H new ATOM 0 HD3 PRO A 456 12.059 -14.137 -0.748 1.00 63.52 H new ATOM 981 N VAL A 457 14.412 -16.156 -4.905 1.00 24.51 N ATOM 982 CA VAL A 457 15.238 -16.518 -6.084 1.00 30.33 C ATOM 983 C VAL A 457 14.578 -16.131 -7.449 1.00 30.42 C ATOM 984 O VAL A 457 15.289 -16.079 -8.448 1.00 54.33 O ATOM 985 CB VAL A 457 15.890 -17.983 -6.116 1.00 32.44 C ATOM 986 CG1 VAL A 457 16.965 -18.151 -5.038 1.00 32.44 C ATOM 987 CG2 VAL A 457 14.905 -19.143 -6.000 1.00 75.03 C ATOM 0 H VAL A 457 13.802 -16.893 -4.551 1.00 24.51 H new ATOM 0 HA VAL A 457 16.107 -15.877 -5.935 1.00 30.33 H new ATOM 0 HB VAL A 457 16.327 -18.037 -7.113 1.00 32.44 H new ATOM 0 HG11 VAL A 457 17.382 -19.157 -5.093 1.00 32.44 H new ATOM 0 HG12 VAL A 457 17.758 -17.420 -5.198 1.00 32.44 H new ATOM 0 HG13 VAL A 457 16.521 -17.996 -4.055 1.00 32.44 H new ATOM 0 HG21 VAL A 457 15.449 -20.087 -6.032 1.00 75.03 H new ATOM 0 HG22 VAL A 457 14.364 -19.068 -5.057 1.00 75.03 H new ATOM 0 HG23 VAL A 457 14.197 -19.104 -6.828 1.00 75.03 H new ATOM 997 N SER A 458 13.238 -15.837 -7.520 1.00 1.32 N ATOM 998 CA SER A 458 12.692 -15.228 -8.743 1.00 44.12 C ATOM 999 C SER A 458 12.728 -13.665 -8.611 1.00 40.23 C ATOM 1000 O SER A 458 12.611 -12.967 -9.625 1.00 52.50 O ATOM 1001 CB SER A 458 11.249 -15.722 -9.169 1.00 24.54 C ATOM 1002 OG SER A 458 10.908 -15.234 -10.463 1.00 22.45 O ATOM 0 H SER A 458 12.561 -16.008 -6.776 1.00 1.32 H new ATOM 0 HA SER A 458 13.339 -15.566 -9.552 1.00 44.12 H new ATOM 0 HB2 SER A 458 11.217 -16.812 -9.167 1.00 24.54 H new ATOM 0 HB3 SER A 458 10.513 -15.380 -8.441 1.00 24.54 H new ATOM 0 HG SER A 458 11.410 -14.413 -10.646 1.00 22.45 H new ATOM 1008 N ALA A 459 12.926 -13.124 -7.351 1.00 73.23 N ATOM 1009 CA ALA A 459 12.577 -11.744 -6.993 1.00 15.45 C ATOM 1010 C ALA A 459 13.248 -10.643 -7.832 1.00 41.45 C ATOM 1011 O ALA A 459 12.556 -9.768 -8.364 1.00 55.34 O ATOM 1012 CB ALA A 459 12.867 -11.475 -5.522 1.00 30.13 C ATOM 0 H ALA A 459 13.332 -13.653 -6.579 1.00 73.23 H new ATOM 0 HA ALA A 459 11.511 -11.685 -7.211 1.00 15.45 H new ATOM 0 HB1 ALA A 459 12.600 -10.446 -5.281 1.00 30.13 H new ATOM 0 HB2 ALA A 459 12.281 -12.156 -4.905 1.00 30.13 H new ATOM 0 HB3 ALA A 459 13.928 -11.630 -5.326 1.00 30.13 H new ATOM 1018 N GLN A 460 14.590 -10.696 -7.947 1.00 2.34 N ATOM 1019 CA GLN A 460 15.400 -9.561 -8.439 1.00 54.14 C ATOM 1020 C GLN A 460 15.184 -9.188 -9.930 1.00 1.21 C ATOM 1021 O GLN A 460 15.526 -8.063 -10.313 1.00 51.30 O ATOM 1022 CB GLN A 460 16.906 -9.715 -8.077 1.00 65.30 C ATOM 1023 CG GLN A 460 17.247 -9.368 -6.609 1.00 63.25 C ATOM 1024 CD GLN A 460 18.722 -9.490 -6.294 1.00 71.43 C ATOM 1025 OE1 GLN A 460 19.578 -9.267 -7.146 1.00 62.55 O ATOM 1026 NE2 GLN A 460 19.027 -9.852 -5.057 1.00 60.33 N ATOM 0 H GLN A 460 15.140 -11.520 -7.704 1.00 2.34 H new ATOM 0 HA GLN A 460 15.014 -8.699 -7.895 1.00 54.14 H new ATOM 0 HB2 GLN A 460 17.212 -10.742 -8.276 1.00 65.30 H new ATOM 0 HB3 GLN A 460 17.493 -9.074 -8.735 1.00 65.30 H new ATOM 0 HG2 GLN A 460 16.920 -8.350 -6.398 1.00 63.25 H new ATOM 0 HG3 GLN A 460 16.685 -10.027 -5.947 1.00 63.25 H new ATOM 0 HE21 GLN A 460 18.285 -10.028 -4.379 1.00 60.33 H new ATOM 0 HE22 GLN A 460 20.004 -9.955 -4.782 1.00 60.33 H new ATOM 1035 N ALA A 461 14.631 -10.114 -10.761 1.00 34.22 N ATOM 1036 CA ALA A 461 14.193 -9.822 -12.135 1.00 4.31 C ATOM 1037 C ALA A 461 13.292 -8.480 -12.321 1.00 23.03 C ATOM 1038 O ALA A 461 13.370 -7.890 -13.401 1.00 20.34 O ATOM 1039 CB ALA A 461 13.600 -11.116 -12.783 1.00 34.44 C ATOM 0 H ALA A 461 14.480 -11.085 -10.486 1.00 34.22 H new ATOM 0 HA ALA A 461 15.081 -9.541 -12.701 1.00 4.31 H new ATOM 0 HB1 ALA A 461 13.276 -10.898 -13.801 1.00 34.44 H new ATOM 0 HB2 ALA A 461 14.362 -11.895 -12.804 1.00 34.44 H new ATOM 0 HB3 ALA A 461 12.748 -11.459 -12.197 1.00 34.44 H new ATOM 1045 N ALA A 462 12.445 -7.981 -11.305 1.00 13.45 N ATOM 1046 CA ALA A 462 11.848 -6.573 -11.346 1.00 72.24 C ATOM 1047 C ALA A 462 12.769 -5.544 -10.681 1.00 14.52 C ATOM 1048 O ALA A 462 12.984 -4.459 -11.228 1.00 4.44 O ATOM 1049 CB ALA A 462 10.471 -6.494 -10.673 1.00 42.44 C ATOM 0 H ALA A 462 12.176 -8.521 -10.482 1.00 13.45 H new ATOM 0 HA ALA A 462 11.737 -6.340 -12.405 1.00 72.24 H new ATOM 0 HB1 ALA A 462 10.095 -5.472 -10.732 1.00 42.44 H new ATOM 0 HB2 ALA A 462 9.779 -7.165 -11.181 1.00 42.44 H new ATOM 0 HB3 ALA A 462 10.560 -6.788 -9.627 1.00 42.44 H new ATOM 1055 N ILE A 463 13.232 -5.898 -9.460 1.00 40.11 N ATOM 1056 CA ILE A 463 14.095 -5.064 -8.583 1.00 45.41 C ATOM 1057 C ILE A 463 15.247 -4.250 -9.332 1.00 10.11 C ATOM 1058 O ILE A 463 15.493 -3.111 -8.935 1.00 54.13 O ATOM 1059 CB ILE A 463 14.613 -5.893 -7.279 1.00 5.14 C ATOM 1060 CG1 ILE A 463 13.534 -6.946 -6.851 1.00 72.45 C ATOM 1061 CG2 ILE A 463 14.929 -5.001 -6.029 1.00 41.25 C ATOM 1062 CD1 ILE A 463 13.795 -7.697 -5.541 1.00 42.12 C ATOM 0 H ILE A 463 13.009 -6.801 -9.042 1.00 40.11 H new ATOM 0 HA ILE A 463 13.445 -4.270 -8.216 1.00 45.41 H new ATOM 0 HB ILE A 463 15.545 -6.363 -7.592 1.00 5.14 H new ATOM 0 HG12 ILE A 463 12.574 -6.436 -6.767 1.00 72.45 H new ATOM 0 HG13 ILE A 463 13.436 -7.679 -7.651 1.00 72.45 H new ATOM 0 HG21 ILE A 463 15.267 -5.633 -5.207 1.00 41.25 H new ATOM 0 HG22 ILE A 463 15.711 -4.285 -6.281 1.00 41.25 H new ATOM 0 HG23 ILE A 463 14.029 -4.465 -5.728 1.00 41.25 H new ATOM 0 HD11 ILE A 463 12.980 -8.396 -5.354 1.00 42.12 H new ATOM 0 HD12 ILE A 463 14.733 -8.246 -5.617 1.00 42.12 H new ATOM 0 HD13 ILE A 463 13.858 -6.984 -4.719 1.00 42.12 H new ATOM 1074 N GLN A 464 15.949 -4.785 -10.394 1.00 61.35 N ATOM 1075 CA GLN A 464 16.831 -3.945 -11.283 1.00 53.34 C ATOM 1076 C GLN A 464 16.152 -3.326 -12.586 1.00 53.43 C ATOM 1077 O GLN A 464 16.585 -2.242 -12.992 1.00 14.13 O ATOM 1078 CB GLN A 464 18.218 -4.630 -11.590 1.00 40.22 C ATOM 1079 CG GLN A 464 19.058 -4.937 -10.343 1.00 72.11 C ATOM 1080 CD GLN A 464 18.738 -6.276 -9.705 1.00 12.31 C ATOM 1081 OE1 GLN A 464 18.340 -7.221 -10.381 1.00 10.41 O ATOM 1082 NE2 GLN A 464 18.914 -6.365 -8.402 1.00 72.14 N ATOM 0 H GLN A 464 15.921 -5.772 -10.649 1.00 61.35 H new ATOM 0 HA GLN A 464 17.022 -3.066 -10.667 1.00 53.34 H new ATOM 0 HB2 GLN A 464 18.040 -5.559 -12.132 1.00 40.22 H new ATOM 0 HB3 GLN A 464 18.793 -3.981 -12.251 1.00 40.22 H new ATOM 0 HG2 GLN A 464 20.114 -4.917 -10.613 1.00 72.11 H new ATOM 0 HG3 GLN A 464 18.902 -4.148 -9.608 1.00 72.11 H new ATOM 0 HE21 GLN A 464 19.246 -5.557 -7.876 1.00 72.14 H new ATOM 0 HE22 GLN A 464 18.718 -7.242 -7.920 1.00 72.14 H new ATOM 1091 N ALA A 465 15.121 -3.967 -13.267 1.00 51.41 N ATOM 1092 CA ALA A 465 14.330 -3.293 -14.393 1.00 33.20 C ATOM 1093 C ALA A 465 13.585 -1.975 -13.987 1.00 64.33 C ATOM 1094 O ALA A 465 13.144 -1.222 -14.856 1.00 52.15 O ATOM 1095 CB ALA A 465 13.316 -4.256 -15.093 1.00 50.22 C ATOM 0 H ALA A 465 14.823 -4.921 -13.066 1.00 51.41 H new ATOM 0 HA ALA A 465 15.114 -3.016 -15.098 1.00 33.20 H new ATOM 0 HB1 ALA A 465 12.788 -3.718 -15.880 1.00 50.22 H new ATOM 0 HB2 ALA A 465 13.855 -5.098 -15.527 1.00 50.22 H new ATOM 0 HB3 ALA A 465 12.598 -4.623 -14.360 1.00 50.22 H new ATOM 1101 N MET A 466 13.462 -1.703 -12.686 1.00 1.33 N ATOM 1102 CA MET A 466 12.663 -0.577 -12.143 1.00 20.11 C ATOM 1103 C MET A 466 13.537 0.353 -11.230 1.00 54.42 C ATOM 1104 O MET A 466 13.006 1.263 -10.587 1.00 42.22 O ATOM 1105 CB MET A 466 11.469 -1.208 -11.363 1.00 21.33 C ATOM 1106 CG MET A 466 10.193 -0.364 -11.158 1.00 2.13 C ATOM 1107 SD MET A 466 8.946 -1.288 -10.237 1.00 62.33 S ATOM 1108 CE MET A 466 7.544 -0.180 -10.330 1.00 15.13 C ATOM 0 H MET A 466 13.916 -2.260 -11.962 1.00 1.33 H new ATOM 0 HA MET A 466 12.294 0.062 -12.945 1.00 20.11 H new ATOM 0 HB2 MET A 466 11.181 -2.123 -11.881 1.00 21.33 H new ATOM 0 HB3 MET A 466 11.834 -1.501 -10.379 1.00 21.33 H new ATOM 0 HG2 MET A 466 10.441 0.552 -10.622 1.00 2.13 H new ATOM 0 HG3 MET A 466 9.789 -0.068 -12.126 1.00 2.13 H new ATOM 0 HE1 MET A 466 6.650 -0.695 -9.979 1.00 15.13 H new ATOM 0 HE2 MET A 466 7.729 0.694 -9.705 1.00 15.13 H new ATOM 0 HE3 MET A 466 7.399 0.137 -11.363 1.00 15.13 H new ATOM 1118 N ASN A 467 14.880 0.134 -11.200 1.00 42.44 N ATOM 1119 CA ASN A 467 15.787 0.789 -10.218 1.00 75.23 C ATOM 1120 C ASN A 467 16.216 2.201 -10.718 1.00 72.13 C ATOM 1121 O ASN A 467 16.958 2.248 -11.703 1.00 51.53 O ATOM 1122 CB ASN A 467 17.051 -0.105 -10.012 1.00 44.34 C ATOM 1123 CG ASN A 467 17.947 0.341 -8.824 1.00 53.33 C ATOM 1124 OD1 ASN A 467 19.173 0.267 -8.928 1.00 23.11 O ATOM 1125 ND2 ASN A 467 17.378 0.752 -7.670 1.00 71.31 N ATOM 0 H ASN A 467 15.359 -0.493 -11.847 1.00 42.44 H new ATOM 0 HA ASN A 467 15.257 0.907 -9.273 1.00 75.23 H new ATOM 0 HB2 ASN A 467 16.734 -1.135 -9.849 1.00 44.34 H new ATOM 0 HB3 ASN A 467 17.644 -0.095 -10.926 1.00 44.34 H new ATOM 0 HD21 ASN A 467 17.964 1.005 -6.874 1.00 71.31 H new ATOM 0 HD22 ASN A 467 16.362 0.810 -7.594 1.00 71.31 H new ATOM 1132 N GLY A 468 15.788 3.362 -10.101 1.00 11.34 N ATOM 1133 CA GLY A 468 16.299 4.639 -10.618 1.00 0.21 C ATOM 1134 C GLY A 468 15.567 5.169 -11.857 1.00 21.43 C ATOM 1135 O GLY A 468 16.093 6.030 -12.563 1.00 60.14 O ATOM 0 H GLY A 468 15.144 3.419 -9.312 1.00 11.34 H new ATOM 0 HA2 GLY A 468 16.235 5.387 -9.828 1.00 0.21 H new ATOM 0 HA3 GLY A 468 17.355 4.521 -10.860 1.00 0.21 H new ATOM 1139 N PHE A 469 14.356 4.681 -12.094 1.00 1.51 N ATOM 1140 CA PHE A 469 13.709 4.784 -13.401 1.00 1.44 C ATOM 1141 C PHE A 469 12.703 5.962 -13.317 1.00 32.14 C ATOM 1142 O PHE A 469 11.767 5.891 -12.513 1.00 12.55 O ATOM 1143 CB PHE A 469 13.064 3.375 -13.770 1.00 22.04 C ATOM 1144 CG PHE A 469 12.284 3.280 -15.080 1.00 12.42 C ATOM 1145 CD1 PHE A 469 12.854 3.582 -16.319 1.00 13.10 C ATOM 1146 CD2 PHE A 469 10.964 2.860 -15.062 1.00 45.32 C ATOM 1147 CE1 PHE A 469 12.107 3.466 -17.483 1.00 34.05 C ATOM 1148 CE2 PHE A 469 10.225 2.748 -16.211 1.00 61.13 C ATOM 1149 CZ PHE A 469 10.791 3.051 -17.425 1.00 44.35 C ATOM 0 H PHE A 469 13.794 4.203 -11.389 1.00 1.51 H new ATOM 0 HA PHE A 469 14.401 5.006 -14.213 1.00 1.44 H new ATOM 0 HB2 PHE A 469 13.864 2.636 -13.800 1.00 22.04 H new ATOM 0 HB3 PHE A 469 12.395 3.088 -12.958 1.00 22.04 H new ATOM 0 HD1 PHE A 469 13.882 3.908 -16.372 1.00 13.10 H new ATOM 0 HD2 PHE A 469 10.504 2.614 -14.116 1.00 45.32 H new ATOM 0 HE1 PHE A 469 12.556 3.701 -18.437 1.00 34.05 H new ATOM 0 HE2 PHE A 469 9.197 2.421 -16.162 1.00 61.13 H new ATOM 0 HZ PHE A 469 10.209 2.965 -18.331 1.00 44.35 H new ATOM 1159 N GLN A 470 12.930 7.081 -14.073 1.00 73.31 N ATOM 1160 CA GLN A 470 12.085 8.281 -13.932 1.00 34.32 C ATOM 1161 C GLN A 470 10.689 8.088 -14.528 1.00 21.12 C ATOM 1162 O GLN A 470 10.538 7.545 -15.623 1.00 20.35 O ATOM 1163 CB GLN A 470 12.773 9.485 -14.586 1.00 3.31 C ATOM 1164 CG GLN A 470 13.569 10.354 -13.612 1.00 43.10 C ATOM 1165 CD GLN A 470 12.768 11.509 -13.009 1.00 54.13 C ATOM 1166 OE1 GLN A 470 11.442 11.398 -12.975 1.00 10.12 O flip ATOM 1167 NE2 GLN A 470 13.343 12.518 -12.615 1.00 11.02 N flip ATOM 0 H GLN A 470 13.674 7.164 -14.765 1.00 73.31 H new ATOM 0 HA GLN A 470 11.957 8.462 -12.865 1.00 34.32 H new ATOM 0 HB2 GLN A 470 13.443 9.127 -15.367 1.00 3.31 H new ATOM 0 HB3 GLN A 470 12.017 10.102 -15.072 1.00 3.31 H new ATOM 0 HG2 GLN A 470 13.944 9.726 -12.804 1.00 43.10 H new ATOM 0 HG3 GLN A 470 14.438 10.760 -14.130 1.00 43.10 H new ATOM 0 HE21 GLN A 470 14.361 12.573 -12.654 1.00 11.02 H new ATOM 0 HE22 GLN A 470 12.803 13.302 -12.248 1.00 11.02 H new ATOM 1176 N ILE A 471 9.676 8.578 -13.796 1.00 1.10 N ATOM 1177 CA ILE A 471 8.263 8.296 -14.080 1.00 41.43 C ATOM 1178 C ILE A 471 7.450 9.586 -13.677 1.00 44.50 C ATOM 1179 O ILE A 471 7.089 9.729 -12.501 1.00 62.31 O ATOM 1180 CB ILE A 471 7.747 6.975 -13.270 1.00 23.53 C ATOM 1181 CG1 ILE A 471 8.492 5.668 -13.743 1.00 53.13 C ATOM 1182 CG2 ILE A 471 6.220 6.784 -13.389 1.00 62.42 C ATOM 1183 CD1 ILE A 471 8.224 4.372 -12.949 1.00 43.51 C ATOM 0 H ILE A 471 9.816 9.183 -12.987 1.00 1.10 H new ATOM 0 HA ILE A 471 8.117 8.071 -15.136 1.00 41.43 H new ATOM 0 HB ILE A 471 7.988 7.148 -12.221 1.00 23.53 H new ATOM 0 HG12 ILE A 471 8.226 5.486 -14.784 1.00 53.13 H new ATOM 0 HG13 ILE A 471 9.564 5.863 -13.718 1.00 53.13 H new ATOM 0 HG21 ILE A 471 5.920 5.894 -12.836 1.00 62.42 H new ATOM 0 HG22 ILE A 471 5.711 7.656 -12.977 1.00 62.42 H new ATOM 0 HG23 ILE A 471 5.949 6.667 -14.438 1.00 62.42 H new ATOM 0 HD11 ILE A 471 8.800 3.554 -13.382 1.00 43.51 H new ATOM 0 HD12 ILE A 471 8.521 4.514 -11.910 1.00 43.51 H new ATOM 0 HD13 ILE A 471 7.162 4.131 -12.993 1.00 43.51 H new ATOM 1195 N GLY A 472 7.226 10.583 -14.618 1.00 73.23 N ATOM 1196 CA GLY A 472 6.456 11.781 -14.249 1.00 3.40 C ATOM 1197 C GLY A 472 7.326 12.794 -13.537 1.00 24.05 C ATOM 1198 O GLY A 472 8.462 13.038 -13.942 1.00 44.22 O ATOM 0 H GLY A 472 7.560 10.560 -15.582 1.00 73.23 H new ATOM 0 HA2 GLY A 472 6.028 12.231 -15.145 1.00 3.40 H new ATOM 0 HA3 GLY A 472 5.623 11.497 -13.606 1.00 3.40 H new ATOM 1202 N MET A 473 6.803 13.360 -12.457 1.00 4.03 N ATOM 1203 CA MET A 473 7.595 14.269 -11.611 1.00 41.30 C ATOM 1204 C MET A 473 8.221 13.523 -10.403 1.00 64.54 C ATOM 1205 O MET A 473 8.680 14.156 -9.452 1.00 21.40 O ATOM 1206 CB MET A 473 6.760 15.513 -11.162 1.00 40.14 C ATOM 1207 CG MET A 473 5.444 15.219 -10.434 1.00 73.00 C ATOM 1208 SD MET A 473 5.564 15.466 -8.651 1.00 1.34 S ATOM 1209 CE MET A 473 3.867 15.157 -8.174 1.00 23.34 C ATOM 0 H MET A 473 5.844 13.213 -12.141 1.00 4.03 H new ATOM 0 HA MET A 473 8.420 14.643 -12.218 1.00 41.30 H new ATOM 0 HB2 MET A 473 7.382 16.126 -10.510 1.00 40.14 H new ATOM 0 HB3 MET A 473 6.537 16.112 -12.045 1.00 40.14 H new ATOM 0 HG2 MET A 473 4.661 15.863 -10.834 1.00 73.00 H new ATOM 0 HG3 MET A 473 5.144 14.190 -10.635 1.00 73.00 H new ATOM 0 HE1 MET A 473 3.766 15.269 -7.094 1.00 23.34 H new ATOM 0 HE2 MET A 473 3.213 15.870 -8.675 1.00 23.34 H new ATOM 0 HE3 MET A 473 3.587 14.143 -8.461 1.00 23.34 H new ATOM 1219 N LYS A 474 8.294 12.174 -10.473 1.00 23.44 N ATOM 1220 CA LYS A 474 8.826 11.371 -9.337 1.00 40.33 C ATOM 1221 C LYS A 474 9.799 10.280 -9.844 1.00 30.24 C ATOM 1222 O LYS A 474 9.694 9.848 -10.986 1.00 42.51 O ATOM 1223 CB LYS A 474 7.693 10.701 -8.480 1.00 71.52 C ATOM 1224 CG LYS A 474 6.721 11.627 -7.695 1.00 15.14 C ATOM 1225 CD LYS A 474 7.447 12.661 -6.778 1.00 31.31 C ATOM 1226 CE LYS A 474 6.482 13.397 -5.829 1.00 72.14 C ATOM 1227 NZ LYS A 474 7.012 14.733 -5.420 1.00 71.30 N ATOM 0 H LYS A 474 8.000 11.625 -11.281 1.00 23.44 H new ATOM 0 HA LYS A 474 9.358 12.072 -8.693 1.00 40.33 H new ATOM 0 HB2 LYS A 474 7.095 10.079 -9.146 1.00 71.52 H new ATOM 0 HB3 LYS A 474 8.169 10.033 -7.762 1.00 71.52 H new ATOM 0 HG2 LYS A 474 6.091 12.163 -8.405 1.00 15.14 H new ATOM 0 HG3 LYS A 474 6.061 11.012 -7.083 1.00 15.14 H new ATOM 0 HD2 LYS A 474 8.207 12.147 -6.189 1.00 31.31 H new ATOM 0 HD3 LYS A 474 7.965 13.391 -7.400 1.00 31.31 H new ATOM 0 HE2 LYS A 474 5.517 13.524 -6.320 1.00 72.14 H new ATOM 0 HE3 LYS A 474 6.310 12.788 -4.942 1.00 72.14 H new ATOM 0 HZ1 LYS A 474 6.546 15.037 -4.542 1.00 71.30 H new ATOM 0 HZ2 LYS A 474 8.038 14.666 -5.262 1.00 71.30 H new ATOM 0 HZ3 LYS A 474 6.822 15.427 -6.171 1.00 71.30 H new ATOM 1241 N ARG A 475 10.740 9.833 -8.988 1.00 1.35 N ATOM 1242 CA ARG A 475 11.735 8.797 -9.391 1.00 14.32 C ATOM 1243 C ARG A 475 11.547 7.516 -8.566 1.00 63.04 C ATOM 1244 O ARG A 475 11.501 7.578 -7.341 1.00 33.41 O ATOM 1245 CB ARG A 475 13.226 9.303 -9.299 1.00 71.00 C ATOM 1246 CG ARG A 475 13.605 10.344 -8.172 1.00 12.21 C ATOM 1247 CD ARG A 475 14.514 9.817 -7.010 1.00 12.24 C ATOM 1248 NE ARG A 475 15.693 9.068 -7.479 1.00 74.24 N ATOM 1249 CZ ARG A 475 16.973 9.369 -7.155 1.00 0.01 C ATOM 1250 NH1 ARG A 475 17.247 10.404 -6.367 1.00 54.50 N ATOM 1251 NH2 ARG A 475 17.969 8.616 -7.604 1.00 23.22 N ATOM 0 H ARG A 475 10.839 10.161 -8.027 1.00 1.35 H new ATOM 0 HA ARG A 475 11.546 8.578 -10.442 1.00 14.32 H new ATOM 0 HB2 ARG A 475 13.864 8.429 -9.170 1.00 71.00 H new ATOM 0 HB3 ARG A 475 13.484 9.747 -10.260 1.00 71.00 H new ATOM 0 HG2 ARG A 475 14.109 11.188 -8.643 1.00 12.21 H new ATOM 0 HG3 ARG A 475 12.682 10.726 -7.736 1.00 12.21 H new ATOM 0 HD2 ARG A 475 14.847 10.662 -6.408 1.00 12.24 H new ATOM 0 HD3 ARG A 475 13.921 9.175 -6.358 1.00 12.24 H new ATOM 0 HE ARG A 475 15.534 8.267 -8.090 1.00 74.24 H new ATOM 0 HH11 ARG A 475 16.490 10.980 -6.000 1.00 54.50 H new ATOM 0 HH12 ARG A 475 18.215 10.622 -6.129 1.00 54.50 H new ATOM 0 HH21 ARG A 475 17.771 7.808 -8.195 1.00 23.22 H new ATOM 0 HH22 ARG A 475 18.932 8.845 -7.358 1.00 23.22 H new ATOM 1265 N LEU A 476 11.456 6.344 -9.233 1.00 64.53 N ATOM 1266 CA LEU A 476 11.114 5.081 -8.511 1.00 50.01 C ATOM 1267 C LEU A 476 12.414 4.391 -7.995 1.00 40.03 C ATOM 1268 O LEU A 476 13.183 3.895 -8.811 1.00 44.43 O ATOM 1269 CB LEU A 476 10.339 4.121 -9.493 1.00 62.31 C ATOM 1270 CG LEU A 476 8.963 3.510 -9.054 1.00 73.54 C ATOM 1271 CD1 LEU A 476 9.051 2.715 -7.766 1.00 53.31 C ATOM 1272 CD2 LEU A 476 7.883 4.565 -8.945 1.00 11.44 C ATOM 0 H LEU A 476 11.607 6.237 -10.236 1.00 64.53 H new ATOM 0 HA LEU A 476 10.482 5.309 -7.653 1.00 50.01 H new ATOM 0 HB2 LEU A 476 10.171 4.669 -10.420 1.00 62.31 H new ATOM 0 HB3 LEU A 476 11.004 3.290 -9.729 1.00 62.31 H new ATOM 0 HG LEU A 476 8.689 2.815 -9.847 1.00 73.54 H new ATOM 0 HD11 LEU A 476 8.067 2.318 -7.515 1.00 53.31 H new ATOM 0 HD12 LEU A 476 9.753 1.891 -7.894 1.00 53.31 H new ATOM 0 HD13 LEU A 476 9.396 3.364 -6.961 1.00 53.31 H new ATOM 0 HD21 LEU A 476 6.947 4.097 -8.639 1.00 11.44 H new ATOM 0 HD22 LEU A 476 8.176 5.310 -8.205 1.00 11.44 H new ATOM 0 HD23 LEU A 476 7.747 5.048 -9.913 1.00 11.44 H new ATOM 1284 N LYS A 477 12.702 4.359 -6.658 1.00 40.51 N ATOM 1285 CA LYS A 477 13.894 3.582 -6.176 1.00 50.04 C ATOM 1286 C LYS A 477 13.517 2.421 -5.222 1.00 33.20 C ATOM 1287 O LYS A 477 12.701 2.605 -4.324 1.00 12.11 O ATOM 1288 CB LYS A 477 14.923 4.509 -5.493 1.00 43.41 C ATOM 1289 CG LYS A 477 16.219 3.771 -5.092 1.00 74.13 C ATOM 1290 CD LYS A 477 17.514 4.535 -5.374 1.00 74.34 C ATOM 1291 CE LYS A 477 17.814 5.615 -4.355 1.00 50.33 C ATOM 1292 NZ LYS A 477 19.232 6.060 -4.463 1.00 51.41 N ATOM 0 H LYS A 477 12.164 4.831 -5.931 1.00 40.51 H new ATOM 0 HA LYS A 477 14.341 3.138 -7.065 1.00 50.04 H new ATOM 0 HB2 LYS A 477 15.171 5.329 -6.167 1.00 43.41 H new ATOM 0 HB3 LYS A 477 14.473 4.952 -4.605 1.00 43.41 H new ATOM 0 HG2 LYS A 477 16.174 3.543 -4.027 1.00 74.13 H new ATOM 0 HG3 LYS A 477 16.255 2.818 -5.621 1.00 74.13 H new ATOM 0 HD2 LYS A 477 18.344 3.829 -5.399 1.00 74.34 H new ATOM 0 HD3 LYS A 477 17.451 4.988 -6.363 1.00 74.34 H new ATOM 0 HE2 LYS A 477 17.148 6.464 -4.510 1.00 50.33 H new ATOM 0 HE3 LYS A 477 17.621 5.238 -3.351 1.00 50.33 H new ATOM 0 HZ1 LYS A 477 19.418 6.800 -3.757 1.00 51.41 H new ATOM 0 HZ2 LYS A 477 19.864 5.252 -4.292 1.00 51.41 H new ATOM 0 HZ3 LYS A 477 19.405 6.439 -5.416 1.00 51.41 H new ATOM 1306 N VAL A 478 14.125 1.213 -5.402 1.00 12.11 N ATOM 1307 CA VAL A 478 13.776 0.051 -4.594 1.00 2.23 C ATOM 1308 C VAL A 478 15.069 -0.768 -4.283 1.00 44.11 C ATOM 1309 O VAL A 478 16.004 -0.763 -5.097 1.00 53.43 O ATOM 1310 CB VAL A 478 12.652 -0.794 -5.300 1.00 0.25 C ATOM 1311 CG1 VAL A 478 12.919 -2.279 -5.288 1.00 15.52 C ATOM 1312 CG2 VAL A 478 11.287 -0.593 -4.678 1.00 21.23 C ATOM 0 H VAL A 478 14.850 1.039 -6.098 1.00 12.11 H new ATOM 0 HA VAL A 478 13.356 0.365 -3.638 1.00 2.23 H new ATOM 0 HB VAL A 478 12.665 -0.423 -6.325 1.00 0.25 H new ATOM 0 HG11 VAL A 478 12.104 -2.799 -5.791 1.00 15.52 H new ATOM 0 HG12 VAL A 478 13.856 -2.484 -5.806 1.00 15.52 H new ATOM 0 HG13 VAL A 478 12.990 -2.628 -4.258 1.00 15.52 H new ATOM 0 HG21 VAL A 478 10.553 -1.201 -5.207 1.00 21.23 H new ATOM 0 HG22 VAL A 478 11.317 -0.891 -3.630 1.00 21.23 H new ATOM 0 HG23 VAL A 478 11.006 0.458 -4.749 1.00 21.23 H new ATOM 1322 N GLN A 479 15.125 -1.435 -3.106 1.00 51.43 N ATOM 1323 CA GLN A 479 16.233 -2.355 -2.750 1.00 32.21 C ATOM 1324 C GLN A 479 15.764 -3.495 -1.804 1.00 53.43 C ATOM 1325 O GLN A 479 14.612 -3.461 -1.356 1.00 22.13 O ATOM 1326 CB GLN A 479 17.407 -1.614 -2.117 1.00 10.13 C ATOM 1327 CG GLN A 479 18.711 -1.875 -2.845 1.00 44.13 C ATOM 1328 CD GLN A 479 19.905 -1.400 -2.059 1.00 52.42 C ATOM 1329 OE1 GLN A 479 19.817 -0.448 -1.289 1.00 72.14 O ATOM 1330 NE2 GLN A 479 21.032 -2.072 -2.222 1.00 22.03 N ATOM 0 H GLN A 479 14.411 -1.352 -2.382 1.00 51.43 H new ATOM 0 HA GLN A 479 16.567 -2.800 -3.687 1.00 32.21 H new ATOM 0 HB2 GLN A 479 17.201 -0.544 -2.117 1.00 10.13 H new ATOM 0 HB3 GLN A 479 17.507 -1.919 -1.075 1.00 10.13 H new ATOM 0 HG2 GLN A 479 18.808 -2.943 -3.041 1.00 44.13 H new ATOM 0 HG3 GLN A 479 18.692 -1.374 -3.813 1.00 44.13 H new ATOM 0 HE21 GLN A 479 21.068 -2.858 -2.871 1.00 22.03 H new ATOM 0 HE22 GLN A 479 21.866 -1.804 -1.699 1.00 22.03 H new ATOM 1339 N LEU A 480 16.648 -4.518 -1.523 1.00 55.35 N ATOM 1340 CA LEU A 480 16.302 -5.586 -0.481 1.00 75.23 C ATOM 1341 C LEU A 480 16.137 -4.861 0.882 1.00 64.11 C ATOM 1342 O LEU A 480 16.807 -3.840 1.063 1.00 1.12 O ATOM 1343 CB LEU A 480 17.426 -6.687 -0.326 1.00 45.22 C ATOM 1344 CG LEU A 480 17.119 -8.215 -0.619 1.00 15.43 C ATOM 1345 CD1 LEU A 480 16.803 -8.478 -2.098 1.00 52.44 C ATOM 1346 CD2 LEU A 480 18.350 -9.027 -0.230 1.00 75.24 C ATOM 0 H LEU A 480 17.558 -4.633 -1.969 1.00 55.35 H new ATOM 0 HA LEU A 480 15.395 -6.097 -0.804 1.00 75.23 H new ATOM 0 HB2 LEU A 480 18.250 -6.396 -0.978 1.00 45.22 H new ATOM 0 HB3 LEU A 480 17.793 -6.626 0.698 1.00 45.22 H new ATOM 0 HG LEU A 480 16.241 -8.502 -0.041 1.00 15.43 H new ATOM 0 HD11 LEU A 480 16.600 -9.539 -2.244 1.00 52.44 H new ATOM 0 HD12 LEU A 480 15.928 -7.898 -2.392 1.00 52.44 H new ATOM 0 HD13 LEU A 480 17.656 -8.184 -2.710 1.00 52.44 H new ATOM 0 HD21 LEU A 480 18.164 -10.084 -0.422 1.00 75.24 H new ATOM 0 HD22 LEU A 480 19.205 -8.696 -0.819 1.00 75.24 H new ATOM 0 HD23 LEU A 480 18.561 -8.883 0.830 1.00 75.24 H new ATOM 1358 N LYS A 481 15.236 -5.336 1.804 1.00 25.11 N ATOM 1359 CA LYS A 481 14.930 -4.581 3.075 1.00 4.04 C ATOM 1360 C LYS A 481 16.199 -4.308 3.859 1.00 13.43 C ATOM 1361 O LYS A 481 16.868 -5.204 4.370 1.00 31.31 O ATOM 1362 CB LYS A 481 13.836 -5.307 3.960 1.00 12.02 C ATOM 1363 CG LYS A 481 13.698 -4.935 5.515 1.00 31.15 C ATOM 1364 CD LYS A 481 14.673 -5.689 6.464 1.00 45.23 C ATOM 1365 CE LYS A 481 13.978 -6.202 7.745 1.00 1.15 C ATOM 1366 NZ LYS A 481 14.885 -7.007 8.592 1.00 21.54 N ATOM 0 H LYS A 481 14.722 -6.211 1.699 1.00 25.11 H new ATOM 0 HA LYS A 481 14.500 -3.622 2.787 1.00 4.04 H new ATOM 0 HB2 LYS A 481 12.867 -5.126 3.494 1.00 12.02 H new ATOM 0 HB3 LYS A 481 14.024 -6.379 3.897 1.00 12.02 H new ATOM 0 HG2 LYS A 481 13.859 -3.863 5.632 1.00 31.15 H new ATOM 0 HG3 LYS A 481 12.676 -5.140 5.832 1.00 31.15 H new ATOM 0 HD2 LYS A 481 15.113 -6.532 5.931 1.00 45.23 H new ATOM 0 HD3 LYS A 481 15.491 -5.024 6.741 1.00 45.23 H new ATOM 0 HE2 LYS A 481 13.607 -5.353 8.319 1.00 1.15 H new ATOM 0 HE3 LYS A 481 13.112 -6.804 7.470 1.00 1.15 H new ATOM 0 HZ1 LYS A 481 14.375 -7.329 9.439 1.00 21.54 H new ATOM 0 HZ2 LYS A 481 15.220 -7.832 8.055 1.00 21.54 H new ATOM 0 HZ3 LYS A 481 15.699 -6.427 8.878 1.00 21.54 H new ATOM 1380 N ARG A 482 16.565 -3.046 3.803 1.00 73.42 N ATOM 1381 CA ARG A 482 17.638 -2.508 4.561 1.00 40.10 C ATOM 1382 C ARG A 482 17.046 -1.588 5.671 1.00 5.31 C ATOM 1383 O ARG A 482 16.517 -0.515 5.356 1.00 72.21 O ATOM 1384 CB ARG A 482 18.616 -1.839 3.498 1.00 14.23 C ATOM 1385 CG ARG A 482 18.211 -0.506 2.777 1.00 54.13 C ATOM 1386 CD ARG A 482 16.846 -0.472 2.027 1.00 65.21 C ATOM 1387 NE ARG A 482 16.601 0.827 1.405 1.00 23.31 N ATOM 1388 CZ ARG A 482 15.582 1.111 0.579 1.00 43.43 C ATOM 1389 NH1 ARG A 482 14.683 0.178 0.263 1.00 33.21 N ATOM 1390 NH2 ARG A 482 15.454 2.329 0.075 1.00 4.00 N ATOM 0 H ARG A 482 16.102 -2.359 3.208 1.00 73.42 H new ATOM 0 HA ARG A 482 18.234 -3.230 5.120 1.00 40.10 H new ATOM 0 HB2 ARG A 482 19.565 -1.657 4.003 1.00 14.23 H new ATOM 0 HB3 ARG A 482 18.805 -2.581 2.722 1.00 14.23 H new ATOM 0 HG2 ARG A 482 18.203 0.289 3.523 1.00 54.13 H new ATOM 0 HG3 ARG A 482 18.994 -0.262 2.059 1.00 54.13 H new ATOM 0 HD2 ARG A 482 16.832 -1.249 1.263 1.00 65.21 H new ATOM 0 HD3 ARG A 482 16.041 -0.698 2.727 1.00 65.21 H new ATOM 0 HE ARG A 482 17.257 1.579 1.615 1.00 23.31 H new ATOM 0 HH11 ARG A 482 14.766 -0.762 0.650 1.00 33.21 H new ATOM 0 HH12 ARG A 482 13.912 0.404 -0.366 1.00 33.21 H new ATOM 0 HH21 ARG A 482 16.131 3.054 0.314 1.00 4.00 H new ATOM 0 HH22 ARG A 482 14.679 2.542 -0.553 1.00 4.00 H new ATOM 1404 N SER A 483 17.107 -2.038 6.962 1.00 1.11 N ATOM 1405 CA SER A 483 16.576 -1.294 8.146 1.00 60.13 C ATOM 1406 C SER A 483 15.066 -0.915 8.026 1.00 53.12 C ATOM 1407 O SER A 483 14.721 0.128 7.463 1.00 30.33 O ATOM 1408 CB SER A 483 17.471 -0.054 8.449 1.00 61.54 C ATOM 1409 OG SER A 483 18.770 -0.466 8.834 1.00 22.24 O ATOM 0 H SER A 483 17.529 -2.933 7.210 1.00 1.11 H new ATOM 0 HA SER A 483 16.624 -1.975 8.995 1.00 60.13 H new ATOM 0 HB2 SER A 483 17.531 0.584 7.567 1.00 61.54 H new ATOM 0 HB3 SER A 483 17.021 0.542 9.243 1.00 61.54 H new ATOM 0 HG SER A 483 19.322 0.322 9.020 1.00 22.24 H new