USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 709 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 478 HIS : no HE2:sc= 0.415 K(o=0.42,f=-1.5) USER MOD Set 1.2: A 528 MET CE :methyl 174:sc= 0 (180deg=-0.00952) USER MOD Set 2.1: A 446 CYS SG : rot 18:sc= 1.87 USER MOD Set 2.2: A 494 GLN : amide:sc= 1.94 K(o=3.8,f=-6.7!) USER MOD Single : A 454 TYR OH : rot 30:sc= 0 USER MOD Single : A 457 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 470 THR OG1 : rot 180:sc= 0 USER MOD Single : A 474 THR OG1 : rot 180:sc= 0.0785 USER MOD Single : A 475 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.1) USER MOD Single : A 479 MET CE :methyl -161:sc= -0.117 (180deg=-0.583) USER MOD Single : A 482 ASN : amide:sc= 0.581 K(o=0.58,f=-7.9!) USER MOD Single : A 483 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 484 GLN : amide:sc= -2.74! C(o=-2.7!,f=-4.1!) USER MOD Single : A 488 SER OG : rot 180:sc= 0 USER MOD Single : A 495 MET CE :methyl -117:sc= -0.0371 (180deg=-0.259) USER MOD Single : A 496 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 497 SER OG : rot 180:sc= -0.0641 USER MOD Single : A 503 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 506 GLN : amide:sc= 0.126 X(o=0.13,f=-0.12) USER MOD Single : A 507 LYS NZ :NH3+ 165:sc= 1.25 (180deg=1.16) USER MOD Single : A 508 CYS SG : rot 180:sc= 0 USER MOD Single : A 509 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 513 MET CE :methyl 174:sc= -0.0815 (180deg=-0.142) USER MOD Single : A 514 LYS NZ :NH3+ -117:sc= 1.07 (180deg=0.285) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 522 GLN : amide:sc= -2.87 K(o=-2.9,f=-3.9!) USER MOD Single : A 523 CYS SG : rot -105:sc= -0.454 USER MOD Single : A 524 SER OG : rot 180:sc= 0.3 USER MOD Single : A 529 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 443 2.590 7.820 -4.440 1.00 73.23 N ATOM 77 CA VAL A 443 1.940 8.326 -3.254 1.00 62.55 C ATOM 78 C VAL A 443 1.198 7.212 -2.535 1.00 53.35 C ATOM 79 O VAL A 443 0.814 6.187 -3.147 1.00 21.03 O ATOM 80 CB VAL A 443 0.947 9.486 -3.620 1.00 10.53 C ATOM 81 CG1 VAL A 443 0.365 10.174 -2.384 1.00 62.45 C ATOM 82 CG2 VAL A 443 1.619 10.504 -4.524 1.00 24.34 C ATOM 0 HA VAL A 443 2.708 8.721 -2.589 1.00 62.55 H new ATOM 0 HB VAL A 443 0.114 9.029 -4.154 1.00 10.53 H new ATOM 0 HG11 VAL A 443 -0.314 10.967 -2.695 1.00 62.45 H new ATOM 0 HG12 VAL A 443 -0.179 9.445 -1.784 1.00 62.45 H new ATOM 0 HG13 VAL A 443 1.174 10.601 -1.791 1.00 62.45 H new ATOM 0 HG21 VAL A 443 0.913 11.299 -4.765 1.00 24.34 H new ATOM 0 HG22 VAL A 443 2.483 10.929 -4.014 1.00 24.34 H new ATOM 0 HG23 VAL A 443 1.944 10.016 -5.443 1.00 24.34 H new ATOM 92 N ARG A 444 1.034 7.370 -1.247 1.00 3.14 N ATOM 93 CA ARG A 444 0.268 6.461 -0.489 1.00 43.10 C ATOM 94 C ARG A 444 -1.220 6.852 -0.599 1.00 73.14 C ATOM 95 O ARG A 444 -1.817 7.341 0.339 1.00 51.44 O ATOM 96 CB ARG A 444 0.774 6.396 0.969 1.00 32.23 C ATOM 97 CG ARG A 444 0.188 5.254 1.763 1.00 42.53 C ATOM 98 CD ARG A 444 0.714 5.182 3.184 1.00 74.00 C ATOM 99 NE ARG A 444 0.103 4.058 3.923 1.00 53.13 N ATOM 100 CZ ARG A 444 0.496 3.600 5.121 1.00 63.13 C ATOM 101 NH1 ARG A 444 1.567 4.096 5.724 1.00 74.24 N ATOM 102 NH2 ARG A 444 -0.180 2.620 5.701 1.00 1.12 N ATOM 0 H ARG A 444 1.435 8.138 -0.709 1.00 3.14 H new ATOM 0 HA ARG A 444 0.379 5.451 -0.884 1.00 43.10 H new ATOM 0 HB2 ARG A 444 1.860 6.304 0.964 1.00 32.23 H new ATOM 0 HB3 ARG A 444 0.536 7.335 1.469 1.00 32.23 H new ATOM 0 HG2 ARG A 444 -0.897 5.357 1.789 1.00 42.53 H new ATOM 0 HG3 ARG A 444 0.407 4.316 1.253 1.00 42.53 H new ATOM 0 HD2 ARG A 444 1.797 5.064 3.168 1.00 74.00 H new ATOM 0 HD3 ARG A 444 0.503 6.118 3.701 1.00 74.00 H new ATOM 0 HE ARG A 444 -0.688 3.588 3.483 1.00 53.13 H new ATOM 0 HH11 ARG A 444 2.106 4.838 5.277 1.00 74.24 H new ATOM 0 HH12 ARG A 444 1.852 3.736 6.635 1.00 74.24 H new ATOM 0 HH21 ARG A 444 -0.994 2.218 5.237 1.00 1.12 H new ATOM 0 HH22 ARG A 444 0.114 2.267 6.612 1.00 1.12 H new ATOM 116 N ASP A 445 -1.769 6.682 -1.799 1.00 22.54 N ATOM 117 CA ASP A 445 -3.175 7.018 -2.128 1.00 71.11 C ATOM 118 C ASP A 445 -3.931 5.797 -2.585 1.00 42.12 C ATOM 119 O ASP A 445 -5.040 5.891 -3.139 1.00 31.11 O ATOM 120 CB ASP A 445 -3.264 8.103 -3.235 1.00 3.53 C ATOM 121 CG ASP A 445 -2.460 7.798 -4.497 1.00 33.22 C ATOM 122 OD1 ASP A 445 -1.930 8.761 -5.120 1.00 70.15 O ATOM 123 OD2 ASP A 445 -2.308 6.614 -4.886 1.00 3.41 O ATOM 0 H ASP A 445 -1.251 6.302 -2.591 1.00 22.54 H new ATOM 0 HA ASP A 445 -3.623 7.407 -1.214 1.00 71.11 H new ATOM 0 HB2 ASP A 445 -4.310 8.236 -3.511 1.00 3.53 H new ATOM 0 HB3 ASP A 445 -2.920 9.052 -2.823 1.00 3.53 H new ATOM 128 N CYS A 446 -3.381 4.656 -2.310 1.00 35.34 N ATOM 129 CA CYS A 446 -3.962 3.450 -2.765 1.00 61.22 C ATOM 130 C CYS A 446 -4.472 2.689 -1.571 1.00 60.14 C ATOM 131 O CYS A 446 -4.140 3.017 -0.430 1.00 74.31 O ATOM 132 CB CYS A 446 -2.912 2.654 -3.526 1.00 41.34 C ATOM 133 SG CYS A 446 -2.094 3.608 -4.833 1.00 54.22 S ATOM 0 H CYS A 446 -2.524 4.543 -1.768 1.00 35.34 H new ATOM 0 HA CYS A 446 -4.797 3.643 -3.439 1.00 61.22 H new ATOM 0 HB2 CYS A 446 -2.160 2.294 -2.824 1.00 41.34 H new ATOM 0 HB3 CYS A 446 -3.382 1.775 -3.968 1.00 41.34 H new ATOM 0 HG CYS A 446 -2.289 4.877 -4.631 1.00 54.22 H new ATOM 139 N ILE A 447 -5.318 1.760 -1.794 1.00 14.02 N ATOM 140 CA ILE A 447 -5.821 0.942 -0.754 1.00 10.01 C ATOM 141 C ILE A 447 -5.631 -0.489 -1.180 1.00 64.51 C ATOM 142 O ILE A 447 -5.844 -0.815 -2.346 1.00 42.24 O ATOM 143 CB ILE A 447 -7.335 1.154 -0.557 1.00 45.25 C ATOM 144 CG1 ILE A 447 -7.750 2.575 -0.943 1.00 12.02 C ATOM 145 CG2 ILE A 447 -7.682 0.897 0.892 1.00 61.41 C ATOM 146 CD1 ILE A 447 -9.196 2.912 -0.637 1.00 4.23 C ATOM 0 H ILE A 447 -5.689 1.540 -2.718 1.00 14.02 H new ATOM 0 HA ILE A 447 -5.300 1.187 0.172 1.00 10.01 H new ATOM 0 HB ILE A 447 -7.873 0.460 -1.203 1.00 45.25 H new ATOM 0 HG12 ILE A 447 -7.107 3.283 -0.420 1.00 12.02 H new ATOM 0 HG13 ILE A 447 -7.576 2.714 -2.010 1.00 12.02 H new ATOM 0 HG21 ILE A 447 -8.752 1.045 1.042 1.00 61.41 H new ATOM 0 HG22 ILE A 447 -7.417 -0.127 1.153 1.00 61.41 H new ATOM 0 HG23 ILE A 447 -7.128 1.588 1.527 1.00 61.41 H new ATOM 0 HD11 ILE A 447 -9.403 3.938 -0.943 1.00 4.23 H new ATOM 0 HD12 ILE A 447 -9.851 2.232 -1.181 1.00 4.23 H new ATOM 0 HD13 ILE A 447 -9.375 2.809 0.433 1.00 4.23 H new ATOM 158 N ARG A 448 -5.224 -1.322 -0.291 1.00 73.42 N ATOM 159 CA ARG A 448 -5.110 -2.704 -0.596 1.00 11.54 C ATOM 160 C ARG A 448 -6.160 -3.416 0.180 1.00 32.14 C ATOM 161 O ARG A 448 -6.209 -3.316 1.412 1.00 72.44 O ATOM 162 CB ARG A 448 -3.740 -3.279 -0.252 1.00 21.10 C ATOM 163 CG ARG A 448 -3.562 -4.711 -0.746 1.00 5.02 C ATOM 164 CD ARG A 448 -2.204 -5.279 -0.390 1.00 31.14 C ATOM 165 NE ARG A 448 -1.962 -6.553 -1.094 1.00 25.35 N ATOM 166 CZ ARG A 448 -0.867 -7.316 -0.970 1.00 52.13 C ATOM 167 NH1 ARG A 448 0.099 -6.982 -0.137 1.00 13.22 N ATOM 168 NH2 ARG A 448 -0.752 -8.406 -1.707 1.00 12.43 N ATOM 0 H ARG A 448 -4.962 -1.069 0.662 1.00 73.42 H new ATOM 0 HA ARG A 448 -5.235 -2.835 -1.671 1.00 11.54 H new ATOM 0 HB2 ARG A 448 -2.966 -2.649 -0.690 1.00 21.10 H new ATOM 0 HB3 ARG A 448 -3.600 -3.252 0.829 1.00 21.10 H new ATOM 0 HG2 ARG A 448 -4.341 -5.341 -0.315 1.00 5.02 H new ATOM 0 HG3 ARG A 448 -3.692 -4.738 -1.828 1.00 5.02 H new ATOM 0 HD2 ARG A 448 -1.426 -4.562 -0.651 1.00 31.14 H new ATOM 0 HD3 ARG A 448 -2.143 -5.437 0.687 1.00 31.14 H new ATOM 0 HE ARG A 448 -2.690 -6.881 -1.729 1.00 25.35 H new ATOM 0 HH11 ARG A 448 0.019 -6.133 0.423 1.00 13.22 H new ATOM 0 HH12 ARG A 448 0.927 -7.572 -0.053 1.00 13.22 H new ATOM 0 HH21 ARG A 448 -1.492 -8.659 -2.362 1.00 12.43 H new ATOM 0 HH22 ARG A 448 0.077 -8.994 -1.621 1.00 12.43 H new ATOM 182 N LEU A 449 -7.019 -4.075 -0.508 1.00 64.33 N ATOM 183 CA LEU A 449 -8.035 -4.823 0.149 1.00 63.52 C ATOM 184 C LEU A 449 -7.550 -6.236 0.200 1.00 22.21 C ATOM 185 O LEU A 449 -6.963 -6.713 -0.763 1.00 44.01 O ATOM 186 CB LEU A 449 -9.342 -4.810 -0.622 1.00 64.34 C ATOM 187 CG LEU A 449 -9.803 -3.497 -1.253 1.00 22.51 C ATOM 188 CD1 LEU A 449 -11.194 -3.666 -1.815 1.00 34.21 C ATOM 189 CD2 LEU A 449 -9.778 -2.342 -0.275 1.00 54.11 C ATOM 0 H LEU A 449 -7.042 -4.114 -1.527 1.00 64.33 H new ATOM 0 HA LEU A 449 -8.221 -4.391 1.132 1.00 63.52 H new ATOM 0 HB2 LEU A 449 -9.265 -5.551 -1.418 1.00 64.34 H new ATOM 0 HB3 LEU A 449 -10.128 -5.148 0.053 1.00 64.34 H new ATOM 0 HG LEU A 449 -9.102 -3.255 -2.052 1.00 22.51 H new ATOM 0 HD11 LEU A 449 -11.521 -2.728 -2.265 1.00 34.21 H new ATOM 0 HD12 LEU A 449 -11.187 -4.449 -2.573 1.00 34.21 H new ATOM 0 HD13 LEU A 449 -11.879 -3.943 -1.014 1.00 34.21 H new ATOM 0 HD21 LEU A 449 -10.115 -1.434 -0.775 1.00 54.11 H new ATOM 0 HD22 LEU A 449 -10.439 -2.561 0.563 1.00 54.11 H new ATOM 0 HD23 LEU A 449 -8.762 -2.198 0.092 1.00 54.11 H new ATOM 201 N ARG A 450 -7.758 -6.886 1.280 1.00 72.23 N ATOM 202 CA ARG A 450 -7.337 -8.253 1.425 1.00 63.12 C ATOM 203 C ARG A 450 -8.417 -9.032 2.118 1.00 64.45 C ATOM 204 O ARG A 450 -8.964 -8.596 3.112 1.00 53.54 O ATOM 205 CB ARG A 450 -5.973 -8.323 2.151 1.00 20.21 C ATOM 206 CG ARG A 450 -5.344 -9.717 2.308 1.00 4.42 C ATOM 207 CD ARG A 450 -5.850 -10.471 3.535 1.00 42.12 C ATOM 208 NE ARG A 450 -5.452 -9.813 4.791 1.00 54.22 N ATOM 209 CZ ARG A 450 -5.330 -10.434 5.972 1.00 54.40 C ATOM 210 NH1 ARG A 450 -5.607 -11.733 6.089 1.00 23.20 N ATOM 211 NH2 ARG A 450 -4.939 -9.748 7.027 1.00 34.13 N ATOM 0 H ARG A 450 -8.225 -6.498 2.099 1.00 72.23 H new ATOM 0 HA ARG A 450 -7.183 -8.709 0.447 1.00 63.12 H new ATOM 0 HB2 ARG A 450 -5.268 -7.691 1.612 1.00 20.21 H new ATOM 0 HB3 ARG A 450 -6.094 -7.891 3.144 1.00 20.21 H new ATOM 0 HG2 ARG A 450 -5.555 -10.306 1.415 1.00 4.42 H new ATOM 0 HG3 ARG A 450 -4.261 -9.614 2.374 1.00 4.42 H new ATOM 0 HD2 ARG A 450 -6.937 -10.544 3.493 1.00 42.12 H new ATOM 0 HD3 ARG A 450 -5.461 -11.489 3.520 1.00 42.12 H new ATOM 0 HE ARG A 450 -5.255 -8.813 4.760 1.00 54.22 H new ATOM 0 HH11 ARG A 450 -5.915 -12.264 5.275 1.00 23.20 H new ATOM 0 HH12 ARG A 450 -5.511 -12.196 6.993 1.00 23.20 H new ATOM 0 HH21 ARG A 450 -4.732 -8.753 6.940 1.00 34.13 H new ATOM 0 HH22 ARG A 450 -4.843 -10.212 7.930 1.00 34.13 H new ATOM 225 N GLY A 451 -8.725 -10.155 1.566 1.00 64.04 N ATOM 226 CA GLY A 451 -9.778 -10.985 2.088 1.00 4.10 C ATOM 227 C GLY A 451 -11.021 -10.852 1.244 1.00 63.34 C ATOM 228 O GLY A 451 -12.132 -10.824 1.756 1.00 24.53 O ATOM 0 H GLY A 451 -8.260 -10.532 0.740 1.00 64.04 H new ATOM 0 HA2 GLY A 451 -9.454 -12.025 2.107 1.00 4.10 H new ATOM 0 HA3 GLY A 451 -9.998 -10.700 3.117 1.00 4.10 H new ATOM 232 N LEU A 452 -10.815 -10.759 -0.062 1.00 42.32 N ATOM 233 CA LEU A 452 -11.904 -10.605 -1.015 1.00 13.54 C ATOM 234 C LEU A 452 -12.799 -11.839 -1.055 1.00 0.21 C ATOM 235 O LEU A 452 -12.303 -12.977 -0.987 1.00 13.04 O ATOM 236 CB LEU A 452 -11.367 -10.320 -2.422 1.00 23.54 C ATOM 237 CG LEU A 452 -10.585 -9.023 -2.614 1.00 70.21 C ATOM 238 CD1 LEU A 452 -10.099 -8.920 -4.046 1.00 55.13 C ATOM 239 CD2 LEU A 452 -11.437 -7.811 -2.254 1.00 34.14 C ATOM 0 H LEU A 452 -9.890 -10.788 -0.490 1.00 42.32 H new ATOM 0 HA LEU A 452 -12.500 -9.756 -0.678 1.00 13.54 H new ATOM 0 HB2 LEU A 452 -10.724 -11.150 -2.714 1.00 23.54 H new ATOM 0 HB3 LEU A 452 -12.211 -10.313 -3.112 1.00 23.54 H new ATOM 0 HG LEU A 452 -9.724 -9.038 -1.945 1.00 70.21 H new ATOM 0 HD11 LEU A 452 -9.542 -7.992 -4.175 1.00 55.13 H new ATOM 0 HD12 LEU A 452 -9.451 -9.767 -4.272 1.00 55.13 H new ATOM 0 HD13 LEU A 452 -10.954 -8.927 -4.722 1.00 55.13 H new ATOM 0 HD21 LEU A 452 -10.855 -6.901 -2.400 1.00 34.14 H new ATOM 0 HD22 LEU A 452 -12.320 -7.784 -2.893 1.00 34.14 H new ATOM 0 HD23 LEU A 452 -11.746 -7.880 -1.211 1.00 34.14 H new ATOM 251 N PRO A 453 -14.131 -11.628 -1.114 1.00 24.34 N ATOM 252 CA PRO A 453 -15.105 -12.700 -1.238 1.00 40.34 C ATOM 253 C PRO A 453 -14.991 -13.467 -2.533 1.00 44.12 C ATOM 254 O PRO A 453 -14.294 -13.078 -3.487 1.00 44.34 O ATOM 255 CB PRO A 453 -16.451 -11.994 -1.269 1.00 14.32 C ATOM 256 CG PRO A 453 -16.219 -10.646 -0.731 1.00 14.33 C ATOM 257 CD PRO A 453 -14.785 -10.319 -1.001 1.00 63.23 C ATOM 0 HA PRO A 453 -14.962 -13.411 -0.425 1.00 40.34 H new ATOM 0 HB2 PRO A 453 -16.842 -11.946 -2.285 1.00 14.32 H new ATOM 0 HB3 PRO A 453 -17.186 -12.531 -0.670 1.00 14.32 H new ATOM 0 HG2 PRO A 453 -16.878 -9.920 -1.207 1.00 14.33 H new ATOM 0 HG3 PRO A 453 -16.429 -10.614 0.338 1.00 14.33 H new ATOM 0 HD2 PRO A 453 -14.675 -9.739 -1.917 1.00 63.23 H new ATOM 0 HD3 PRO A 453 -14.353 -9.727 -0.194 1.00 63.23 H new ATOM 265 N TYR A 454 -15.736 -14.512 -2.575 1.00 74.01 N ATOM 266 CA TYR A 454 -15.844 -15.351 -3.683 1.00 73.43 C ATOM 267 C TYR A 454 -16.728 -14.707 -4.693 1.00 15.20 C ATOM 268 O TYR A 454 -17.954 -14.597 -4.516 1.00 44.01 O ATOM 269 CB TYR A 454 -16.368 -16.731 -3.313 1.00 13.34 C ATOM 270 CG TYR A 454 -16.426 -17.691 -4.495 1.00 14.42 C ATOM 271 CD1 TYR A 454 -17.632 -17.987 -5.125 1.00 44.13 C ATOM 272 CD2 TYR A 454 -15.267 -18.283 -4.993 1.00 51.23 C ATOM 273 CE1 TYR A 454 -17.681 -18.839 -6.209 1.00 70.11 C ATOM 274 CE2 TYR A 454 -15.311 -19.139 -6.075 1.00 54.44 C ATOM 275 CZ TYR A 454 -16.519 -19.411 -6.678 1.00 61.13 C ATOM 276 OH TYR A 454 -16.565 -20.266 -7.763 1.00 64.14 O ATOM 0 H TYR A 454 -16.312 -14.809 -1.788 1.00 74.01 H new ATOM 0 HA TYR A 454 -14.848 -15.499 -4.099 1.00 73.43 H new ATOM 0 HB2 TYR A 454 -15.731 -17.158 -2.538 1.00 13.34 H new ATOM 0 HB3 TYR A 454 -17.366 -16.631 -2.886 1.00 13.34 H new ATOM 0 HD1 TYR A 454 -18.545 -17.542 -4.759 1.00 44.13 H new ATOM 0 HD2 TYR A 454 -14.318 -18.068 -4.524 1.00 51.23 H new ATOM 0 HE1 TYR A 454 -18.625 -19.056 -6.687 1.00 70.11 H new ATOM 0 HE2 TYR A 454 -14.404 -19.593 -6.446 1.00 54.44 H new ATOM 0 HH TYR A 454 -17.308 -20.011 -8.349 1.00 64.14 H new ATOM 286 N ALA A 455 -16.065 -14.137 -5.617 1.00 43.52 N ATOM 287 CA ALA A 455 -16.639 -13.603 -6.849 1.00 12.14 C ATOM 288 C ALA A 455 -17.279 -12.256 -6.636 1.00 5.34 C ATOM 289 O ALA A 455 -18.292 -11.921 -7.270 1.00 74.31 O ATOM 290 CB ALA A 455 -17.602 -14.602 -7.511 1.00 62.41 C ATOM 0 H ALA A 455 -15.055 -14.008 -5.562 1.00 43.52 H new ATOM 0 HA ALA A 455 -15.814 -13.451 -7.544 1.00 12.14 H new ATOM 0 HB1 ALA A 455 -18.007 -14.166 -8.424 1.00 62.41 H new ATOM 0 HB2 ALA A 455 -17.065 -15.519 -7.754 1.00 62.41 H new ATOM 0 HB3 ALA A 455 -18.418 -14.830 -6.825 1.00 62.41 H new ATOM 296 N ALA A 456 -16.699 -11.490 -5.734 1.00 32.20 N ATOM 297 CA ALA A 456 -17.094 -10.107 -5.554 1.00 1.43 C ATOM 298 C ALA A 456 -16.807 -9.356 -6.856 1.00 31.43 C ATOM 299 O ALA A 456 -15.643 -9.227 -7.263 1.00 65.30 O ATOM 300 CB ALA A 456 -16.320 -9.485 -4.409 1.00 44.34 C ATOM 0 H ALA A 456 -15.952 -11.802 -5.114 1.00 32.20 H new ATOM 0 HA ALA A 456 -18.156 -10.049 -5.314 1.00 1.43 H new ATOM 0 HB1 ALA A 456 -16.626 -8.446 -4.285 1.00 44.34 H new ATOM 0 HB2 ALA A 456 -16.523 -10.036 -3.491 1.00 44.34 H new ATOM 0 HB3 ALA A 456 -15.253 -9.525 -4.627 1.00 44.34 H new ATOM 306 N THR A 457 -17.846 -8.917 -7.513 1.00 3.32 N ATOM 307 CA THR A 457 -17.739 -8.289 -8.792 1.00 4.22 C ATOM 308 C THR A 457 -17.324 -6.832 -8.660 1.00 74.24 C ATOM 309 O THR A 457 -17.309 -6.279 -7.545 1.00 52.12 O ATOM 310 CB THR A 457 -19.075 -8.398 -9.531 1.00 13.43 C ATOM 311 OG1 THR A 457 -20.125 -7.864 -8.706 1.00 12.12 O ATOM 312 CG2 THR A 457 -19.392 -9.845 -9.865 1.00 24.51 C ATOM 0 H THR A 457 -18.802 -8.989 -7.166 1.00 3.32 H new ATOM 0 HA THR A 457 -16.966 -8.802 -9.364 1.00 4.22 H new ATOM 0 HB THR A 457 -19.002 -7.832 -10.459 1.00 13.43 H new ATOM 0 HG1 THR A 457 -20.980 -7.932 -9.180 1.00 12.12 H new ATOM 0 HG21 THR A 457 -20.346 -9.897 -10.390 1.00 24.51 H new ATOM 0 HG22 THR A 457 -18.606 -10.252 -10.501 1.00 24.51 H new ATOM 0 HG23 THR A 457 -19.452 -10.426 -8.945 1.00 24.51 H new ATOM 320 N ILE A 458 -16.996 -6.202 -9.779 1.00 41.43 N ATOM 321 CA ILE A 458 -16.586 -4.809 -9.766 1.00 4.00 C ATOM 322 C ILE A 458 -17.690 -3.884 -9.237 1.00 73.10 C ATOM 323 O ILE A 458 -17.412 -2.920 -8.549 1.00 72.43 O ATOM 324 CB ILE A 458 -16.031 -4.295 -11.126 1.00 11.53 C ATOM 325 CG1 ILE A 458 -17.050 -4.486 -12.266 1.00 65.40 C ATOM 326 CG2 ILE A 458 -14.705 -4.979 -11.447 1.00 63.03 C ATOM 327 CD1 ILE A 458 -16.612 -3.908 -13.601 1.00 51.44 C ATOM 0 H ILE A 458 -17.006 -6.633 -10.703 1.00 41.43 H new ATOM 0 HA ILE A 458 -15.749 -4.775 -9.068 1.00 4.00 H new ATOM 0 HB ILE A 458 -15.854 -3.223 -11.035 1.00 11.53 H new ATOM 0 HG12 ILE A 458 -17.242 -5.552 -12.391 1.00 65.40 H new ATOM 0 HG13 ILE A 458 -17.993 -4.024 -11.975 1.00 65.40 H new ATOM 0 HG21 ILE A 458 -14.327 -4.611 -12.401 1.00 63.03 H new ATOM 0 HG22 ILE A 458 -13.982 -4.759 -10.661 1.00 63.03 H new ATOM 0 HG23 ILE A 458 -14.857 -6.057 -11.509 1.00 63.03 H new ATOM 0 HD11 ILE A 458 -17.387 -4.086 -14.347 1.00 51.44 H new ATOM 0 HD12 ILE A 458 -16.448 -2.835 -13.497 1.00 51.44 H new ATOM 0 HD13 ILE A 458 -15.686 -4.387 -13.919 1.00 51.44 H new ATOM 339 N GLU A 459 -18.940 -4.199 -9.512 1.00 53.02 N ATOM 340 CA GLU A 459 -20.014 -3.395 -8.975 1.00 62.35 C ATOM 341 C GLU A 459 -20.196 -3.666 -7.485 1.00 54.22 C ATOM 342 O GLU A 459 -20.500 -2.759 -6.716 1.00 2.04 O ATOM 343 CB GLU A 459 -21.327 -3.593 -9.722 1.00 73.13 C ATOM 344 CG GLU A 459 -21.308 -3.116 -11.167 1.00 71.04 C ATOM 345 CD GLU A 459 -22.661 -3.217 -11.811 1.00 42.20 C ATOM 346 OE1 GLU A 459 -23.357 -2.179 -11.932 1.00 61.41 O ATOM 347 OE2 GLU A 459 -23.091 -4.324 -12.167 1.00 14.24 O ATOM 0 H GLU A 459 -19.231 -4.987 -10.090 1.00 53.02 H new ATOM 0 HA GLU A 459 -19.727 -2.353 -9.114 1.00 62.35 H new ATOM 0 HB2 GLU A 459 -21.584 -4.652 -9.705 1.00 73.13 H new ATOM 0 HB3 GLU A 459 -22.117 -3.065 -9.189 1.00 73.13 H new ATOM 0 HG2 GLU A 459 -20.966 -2.082 -11.203 1.00 71.04 H new ATOM 0 HG3 GLU A 459 -20.591 -3.709 -11.735 1.00 71.04 H new ATOM 354 N ASP A 460 -19.957 -4.904 -7.077 1.00 43.32 N ATOM 355 CA ASP A 460 -20.106 -5.294 -5.676 1.00 43.34 C ATOM 356 C ASP A 460 -19.005 -4.662 -4.824 1.00 51.14 C ATOM 357 O ASP A 460 -19.251 -4.206 -3.695 1.00 30.45 O ATOM 358 CB ASP A 460 -20.128 -6.833 -5.526 1.00 43.14 C ATOM 359 CG ASP A 460 -20.389 -7.320 -4.101 1.00 22.14 C ATOM 360 OD1 ASP A 460 -21.219 -6.708 -3.377 1.00 53.52 O ATOM 361 OD2 ASP A 460 -19.835 -8.357 -3.703 1.00 22.32 O ATOM 0 H ASP A 460 -19.659 -5.659 -7.695 1.00 43.32 H new ATOM 0 HA ASP A 460 -21.064 -4.920 -5.315 1.00 43.34 H new ATOM 0 HB2 ASP A 460 -20.896 -7.240 -6.183 1.00 43.14 H new ATOM 0 HB3 ASP A 460 -19.173 -7.234 -5.866 1.00 43.14 H new ATOM 366 N ILE A 461 -17.802 -4.586 -5.381 1.00 20.10 N ATOM 367 CA ILE A 461 -16.682 -3.972 -4.692 1.00 63.10 C ATOM 368 C ILE A 461 -16.882 -2.438 -4.606 1.00 3.41 C ATOM 369 O ILE A 461 -16.594 -1.827 -3.581 1.00 32.44 O ATOM 370 CB ILE A 461 -15.293 -4.349 -5.341 1.00 65.33 C ATOM 371 CG1 ILE A 461 -14.131 -3.947 -4.429 1.00 61.21 C ATOM 372 CG2 ILE A 461 -15.114 -3.701 -6.702 1.00 10.04 C ATOM 373 CD1 ILE A 461 -12.769 -4.344 -4.967 1.00 32.41 C ATOM 0 H ILE A 461 -17.581 -4.944 -6.310 1.00 20.10 H new ATOM 0 HA ILE A 461 -16.656 -4.373 -3.679 1.00 63.10 H new ATOM 0 HB ILE A 461 -15.290 -5.431 -5.470 1.00 65.33 H new ATOM 0 HG12 ILE A 461 -14.153 -2.867 -4.281 1.00 61.21 H new ATOM 0 HG13 ILE A 461 -14.273 -4.405 -3.450 1.00 61.21 H new ATOM 0 HG21 ILE A 461 -14.146 -3.985 -7.116 1.00 10.04 H new ATOM 0 HG22 ILE A 461 -15.907 -4.035 -7.371 1.00 10.04 H new ATOM 0 HG23 ILE A 461 -15.160 -2.617 -6.598 1.00 10.04 H new ATOM 0 HD11 ILE A 461 -11.995 -4.027 -4.268 1.00 32.41 H new ATOM 0 HD12 ILE A 461 -12.727 -5.426 -5.088 1.00 32.41 H new ATOM 0 HD13 ILE A 461 -12.605 -3.864 -5.932 1.00 32.41 H new ATOM 385 N LEU A 462 -17.438 -1.835 -5.668 1.00 50.32 N ATOM 386 CA LEU A 462 -17.731 -0.400 -5.670 1.00 42.54 C ATOM 387 C LEU A 462 -18.836 -0.092 -4.679 1.00 54.23 C ATOM 388 O LEU A 462 -18.832 0.953 -4.023 1.00 71.31 O ATOM 389 CB LEU A 462 -18.124 0.104 -7.066 1.00 74.10 C ATOM 390 CG LEU A 462 -17.045 0.049 -8.153 1.00 52.23 C ATOM 391 CD1 LEU A 462 -17.611 0.516 -9.480 1.00 31.31 C ATOM 392 CD2 LEU A 462 -15.835 0.891 -7.768 1.00 24.42 C ATOM 0 H LEU A 462 -17.691 -2.318 -6.530 1.00 50.32 H new ATOM 0 HA LEU A 462 -16.820 0.120 -5.375 1.00 42.54 H new ATOM 0 HB2 LEU A 462 -18.980 -0.478 -7.408 1.00 74.10 H new ATOM 0 HB3 LEU A 462 -18.458 1.137 -6.972 1.00 74.10 H new ATOM 0 HG LEU A 462 -16.718 -0.986 -8.253 1.00 52.23 H new ATOM 0 HD11 LEU A 462 -16.834 0.472 -10.243 1.00 31.31 H new ATOM 0 HD12 LEU A 462 -18.440 -0.129 -9.769 1.00 31.31 H new ATOM 0 HD13 LEU A 462 -17.966 1.542 -9.383 1.00 31.31 H new ATOM 0 HD21 LEU A 462 -15.086 0.833 -8.557 1.00 24.42 H new ATOM 0 HD22 LEU A 462 -16.141 1.928 -7.634 1.00 24.42 H new ATOM 0 HD23 LEU A 462 -15.411 0.514 -6.837 1.00 24.42 H new ATOM 404 N ASP A 463 -19.772 -1.011 -4.563 1.00 2.05 N ATOM 405 CA ASP A 463 -20.861 -0.885 -3.611 1.00 72.21 C ATOM 406 C ASP A 463 -20.300 -0.872 -2.214 1.00 43.44 C ATOM 407 O ASP A 463 -20.638 -0.011 -1.400 1.00 43.52 O ATOM 408 CB ASP A 463 -21.819 -2.047 -3.740 1.00 34.41 C ATOM 409 CG ASP A 463 -23.049 -1.867 -2.885 1.00 2.20 C ATOM 410 OD1 ASP A 463 -23.098 -2.417 -1.790 1.00 74.32 O ATOM 411 OD2 ASP A 463 -23.981 -1.149 -3.294 1.00 22.24 O ATOM 0 H ASP A 463 -19.802 -1.863 -5.122 1.00 2.05 H new ATOM 0 HA ASP A 463 -21.396 0.042 -3.816 1.00 72.21 H new ATOM 0 HB2 ASP A 463 -22.116 -2.157 -4.783 1.00 34.41 H new ATOM 0 HB3 ASP A 463 -21.311 -2.968 -3.454 1.00 34.41 H new ATOM 416 N PHE A 464 -19.420 -1.825 -1.967 1.00 41.55 N ATOM 417 CA PHE A 464 -18.706 -1.962 -0.688 1.00 11.03 C ATOM 418 C PHE A 464 -17.942 -0.682 -0.349 1.00 45.13 C ATOM 419 O PHE A 464 -17.966 -0.213 0.787 1.00 54.14 O ATOM 420 CB PHE A 464 -17.744 -3.165 -0.742 1.00 13.34 C ATOM 421 CG PHE A 464 -16.827 -3.298 0.449 1.00 0.13 C ATOM 422 CD1 PHE A 464 -17.296 -3.791 1.655 1.00 71.42 C ATOM 423 CD2 PHE A 464 -15.492 -2.929 0.351 1.00 63.24 C ATOM 424 CE1 PHE A 464 -16.453 -3.920 2.743 1.00 42.22 C ATOM 425 CE2 PHE A 464 -14.647 -3.053 1.433 1.00 63.43 C ATOM 426 CZ PHE A 464 -15.128 -3.549 2.633 1.00 3.15 C ATOM 0 H PHE A 464 -19.170 -2.540 -2.650 1.00 41.55 H new ATOM 0 HA PHE A 464 -19.441 -2.135 0.098 1.00 11.03 H new ATOM 0 HB2 PHE A 464 -18.332 -4.078 -0.833 1.00 13.34 H new ATOM 0 HB3 PHE A 464 -17.136 -3.086 -1.643 1.00 13.34 H new ATOM 0 HD1 PHE A 464 -18.333 -4.078 1.747 1.00 71.42 H new ATOM 0 HD2 PHE A 464 -15.112 -2.541 -0.582 1.00 63.24 H new ATOM 0 HE1 PHE A 464 -16.830 -4.310 3.677 1.00 42.22 H new ATOM 0 HE2 PHE A 464 -13.610 -2.763 1.345 1.00 63.43 H new ATOM 0 HZ PHE A 464 -14.467 -3.645 3.482 1.00 3.15 H new ATOM 436 N LEU A 465 -17.294 -0.120 -1.351 1.00 34.51 N ATOM 437 CA LEU A 465 -16.553 1.119 -1.200 1.00 73.14 C ATOM 438 C LEU A 465 -17.472 2.275 -0.842 1.00 25.33 C ATOM 439 O LEU A 465 -17.056 3.234 -0.181 1.00 60.04 O ATOM 440 CB LEU A 465 -15.771 1.434 -2.465 1.00 50.43 C ATOM 441 CG LEU A 465 -14.570 0.524 -2.769 1.00 14.51 C ATOM 442 CD1 LEU A 465 -13.947 0.893 -4.103 1.00 33.13 C ATOM 443 CD2 LEU A 465 -13.523 0.618 -1.660 1.00 15.00 C ATOM 0 H LEU A 465 -17.266 -0.509 -2.293 1.00 34.51 H new ATOM 0 HA LEU A 465 -15.849 0.985 -0.379 1.00 73.14 H new ATOM 0 HB2 LEU A 465 -16.457 1.389 -3.311 1.00 50.43 H new ATOM 0 HB3 LEU A 465 -15.413 2.462 -2.399 1.00 50.43 H new ATOM 0 HG LEU A 465 -14.930 -0.503 -2.820 1.00 14.51 H new ATOM 0 HD11 LEU A 465 -13.098 0.238 -4.302 1.00 33.13 H new ATOM 0 HD12 LEU A 465 -14.687 0.778 -4.895 1.00 33.13 H new ATOM 0 HD13 LEU A 465 -13.607 1.928 -4.072 1.00 33.13 H new ATOM 0 HD21 LEU A 465 -12.683 -0.034 -1.897 1.00 15.00 H new ATOM 0 HD22 LEU A 465 -13.172 1.647 -1.577 1.00 15.00 H new ATOM 0 HD23 LEU A 465 -13.967 0.309 -0.714 1.00 15.00 H new ATOM 455 N GLY A 466 -18.711 2.186 -1.291 1.00 63.43 N ATOM 456 CA GLY A 466 -19.692 3.166 -0.940 1.00 60.34 C ATOM 457 C GLY A 466 -19.383 4.508 -1.467 1.00 23.12 C ATOM 458 O GLY A 466 -19.251 4.722 -2.672 1.00 4.32 O ATOM 0 H GLY A 466 -19.050 1.441 -1.899 1.00 63.43 H new ATOM 0 HA2 GLY A 466 -20.664 2.849 -1.317 1.00 60.34 H new ATOM 0 HA3 GLY A 466 -19.773 3.218 0.146 1.00 60.34 H new ATOM 462 N GLU A 467 -19.276 5.378 -0.554 1.00 2.51 N ATOM 463 CA GLU A 467 -18.940 6.788 -0.745 1.00 14.02 C ATOM 464 C GLU A 467 -17.677 6.950 -1.578 1.00 2.24 C ATOM 465 O GLU A 467 -17.603 7.790 -2.473 1.00 53.41 O ATOM 466 CB GLU A 467 -18.665 7.413 0.617 1.00 41.41 C ATOM 467 CG GLU A 467 -19.726 7.151 1.658 1.00 61.42 C ATOM 468 CD GLU A 467 -19.336 7.696 3.002 1.00 14.04 C ATOM 469 OE1 GLU A 467 -18.756 6.939 3.826 1.00 32.10 O ATOM 470 OE2 GLU A 467 -19.579 8.890 3.262 1.00 23.40 O ATOM 0 H GLU A 467 -19.424 5.145 0.428 1.00 2.51 H new ATOM 0 HA GLU A 467 -19.775 7.267 -1.256 1.00 14.02 H new ATOM 0 HB2 GLU A 467 -17.711 7.038 0.988 1.00 41.41 H new ATOM 0 HB3 GLU A 467 -18.557 8.490 0.492 1.00 41.41 H new ATOM 0 HG2 GLU A 467 -20.666 7.604 1.341 1.00 61.42 H new ATOM 0 HG3 GLU A 467 -19.900 6.078 1.738 1.00 61.42 H new ATOM 477 N PHE A 468 -16.708 6.110 -1.307 1.00 24.11 N ATOM 478 CA PHE A 468 -15.400 6.237 -1.889 1.00 42.23 C ATOM 479 C PHE A 468 -15.323 5.639 -3.283 1.00 22.32 C ATOM 480 O PHE A 468 -14.284 5.695 -3.934 1.00 24.31 O ATOM 481 CB PHE A 468 -14.352 5.630 -0.956 1.00 11.23 C ATOM 482 CG PHE A 468 -14.368 6.261 0.413 1.00 3.31 C ATOM 483 CD1 PHE A 468 -15.024 5.645 1.473 1.00 63.11 C ATOM 484 CD2 PHE A 468 -13.752 7.481 0.631 1.00 60.44 C ATOM 485 CE1 PHE A 468 -15.058 6.237 2.719 1.00 34.10 C ATOM 486 CE2 PHE A 468 -13.780 8.073 1.875 1.00 64.52 C ATOM 487 CZ PHE A 468 -14.435 7.452 2.920 1.00 63.32 C ATOM 0 H PHE A 468 -16.808 5.317 -0.674 1.00 24.11 H new ATOM 0 HA PHE A 468 -15.190 7.300 -2.007 1.00 42.23 H new ATOM 0 HB2 PHE A 468 -14.530 4.559 -0.862 1.00 11.23 H new ATOM 0 HB3 PHE A 468 -13.363 5.751 -1.397 1.00 11.23 H new ATOM 0 HD1 PHE A 468 -15.512 4.694 1.320 1.00 63.11 H new ATOM 0 HD2 PHE A 468 -13.243 7.975 -0.184 1.00 60.44 H new ATOM 0 HE1 PHE A 468 -15.571 5.750 3.535 1.00 34.10 H new ATOM 0 HE2 PHE A 468 -13.290 9.022 2.033 1.00 64.52 H new ATOM 0 HZ PHE A 468 -14.460 7.917 3.894 1.00 63.32 H new ATOM 497 N ALA A 469 -16.442 5.135 -3.771 1.00 1.43 N ATOM 498 CA ALA A 469 -16.489 4.519 -5.086 1.00 1.45 C ATOM 499 C ALA A 469 -16.466 5.568 -6.186 1.00 11.13 C ATOM 500 O ALA A 469 -16.228 5.264 -7.337 1.00 34.41 O ATOM 501 CB ALA A 469 -17.707 3.644 -5.229 1.00 74.25 C ATOM 0 H ALA A 469 -17.333 5.140 -3.275 1.00 1.43 H new ATOM 0 HA ALA A 469 -15.600 3.896 -5.187 1.00 1.45 H new ATOM 0 HB1 ALA A 469 -17.718 3.195 -6.222 1.00 74.25 H new ATOM 0 HB2 ALA A 469 -17.680 2.857 -4.475 1.00 74.25 H new ATOM 0 HB3 ALA A 469 -18.605 4.246 -5.093 1.00 74.25 H new ATOM 507 N THR A 470 -16.726 6.791 -5.827 1.00 73.21 N ATOM 508 CA THR A 470 -16.719 7.859 -6.775 1.00 61.52 C ATOM 509 C THR A 470 -15.318 8.518 -6.833 1.00 20.35 C ATOM 510 O THR A 470 -14.973 9.213 -7.797 1.00 62.15 O ATOM 511 CB THR A 470 -17.813 8.878 -6.396 1.00 44.51 C ATOM 512 OG1 THR A 470 -19.038 8.150 -6.196 1.00 61.22 O ATOM 513 CG2 THR A 470 -18.032 9.909 -7.503 1.00 34.44 C ATOM 0 H THR A 470 -16.948 7.073 -4.872 1.00 73.21 H new ATOM 0 HA THR A 470 -16.936 7.473 -7.771 1.00 61.52 H new ATOM 0 HB THR A 470 -17.504 9.411 -5.497 1.00 44.51 H new ATOM 0 HG1 THR A 470 -19.753 8.774 -5.952 1.00 61.22 H new ATOM 0 HG21 THR A 470 -18.810 10.609 -7.199 1.00 34.44 H new ATOM 0 HG22 THR A 470 -17.104 10.452 -7.683 1.00 34.44 H new ATOM 0 HG23 THR A 470 -18.338 9.401 -8.418 1.00 34.44 H new ATOM 521 N ASP A 471 -14.492 8.219 -5.842 1.00 53.51 N ATOM 522 CA ASP A 471 -13.173 8.820 -5.727 1.00 61.12 C ATOM 523 C ASP A 471 -12.076 7.900 -6.227 1.00 64.45 C ATOM 524 O ASP A 471 -10.884 8.219 -6.117 1.00 13.21 O ATOM 525 CB ASP A 471 -12.871 9.250 -4.294 1.00 73.34 C ATOM 526 CG ASP A 471 -13.681 10.442 -3.825 1.00 52.14 C ATOM 527 OD1 ASP A 471 -13.132 11.569 -3.743 1.00 13.42 O ATOM 528 OD2 ASP A 471 -14.859 10.282 -3.501 1.00 4.12 O ATOM 0 H ASP A 471 -14.716 7.557 -5.099 1.00 53.51 H new ATOM 0 HA ASP A 471 -13.190 9.705 -6.363 1.00 61.12 H new ATOM 0 HB2 ASP A 471 -13.060 8.410 -3.626 1.00 73.34 H new ATOM 0 HB3 ASP A 471 -11.811 9.490 -4.213 1.00 73.34 H new ATOM 533 N ILE A 472 -12.470 6.758 -6.737 1.00 20.13 N ATOM 534 CA ILE A 472 -11.557 5.813 -7.321 1.00 43.21 C ATOM 535 C ILE A 472 -11.095 6.365 -8.675 1.00 44.42 C ATOM 536 O ILE A 472 -11.834 7.115 -9.327 1.00 63.20 O ATOM 537 CB ILE A 472 -12.252 4.417 -7.528 1.00 21.24 C ATOM 538 CG1 ILE A 472 -11.259 3.382 -8.065 1.00 34.13 C ATOM 539 CG2 ILE A 472 -13.456 4.530 -8.469 1.00 63.33 C ATOM 540 CD1 ILE A 472 -11.851 2.001 -8.308 1.00 53.40 C ATOM 0 H ILE A 472 -13.445 6.458 -6.757 1.00 20.13 H new ATOM 0 HA ILE A 472 -10.707 5.671 -6.654 1.00 43.21 H new ATOM 0 HB ILE A 472 -12.608 4.083 -6.553 1.00 21.24 H new ATOM 0 HG12 ILE A 472 -10.839 3.752 -9.000 1.00 34.13 H new ATOM 0 HG13 ILE A 472 -10.434 3.290 -7.359 1.00 34.13 H new ATOM 0 HG21 ILE A 472 -13.915 3.549 -8.592 1.00 63.33 H new ATOM 0 HG22 ILE A 472 -14.185 5.221 -8.046 1.00 63.33 H new ATOM 0 HG23 ILE A 472 -13.126 4.900 -9.439 1.00 63.33 H new ATOM 0 HD11 ILE A 472 -11.076 1.335 -8.687 1.00 53.40 H new ATOM 0 HD12 ILE A 472 -12.245 1.604 -7.372 1.00 53.40 H new ATOM 0 HD13 ILE A 472 -12.656 2.074 -9.039 1.00 53.40 H new ATOM 552 N ARG A 473 -9.897 6.061 -9.077 1.00 33.42 N ATOM 553 CA ARG A 473 -9.467 6.459 -10.387 1.00 31.00 C ATOM 554 C ARG A 473 -10.056 5.482 -11.390 1.00 34.12 C ATOM 555 O ARG A 473 -10.410 4.352 -11.017 1.00 24.14 O ATOM 556 CB ARG A 473 -7.950 6.494 -10.487 1.00 71.30 C ATOM 557 CG ARG A 473 -7.294 7.400 -9.459 1.00 0.25 C ATOM 558 CD ARG A 473 -5.819 7.576 -9.737 1.00 55.03 C ATOM 559 NE ARG A 473 -5.597 8.308 -10.987 1.00 51.40 N ATOM 560 CZ ARG A 473 -4.481 8.273 -11.726 1.00 61.32 C ATOM 561 NH1 ARG A 473 -3.470 7.469 -11.391 1.00 0.31 N ATOM 562 NH2 ARG A 473 -4.394 9.026 -12.816 1.00 51.44 N ATOM 0 H ARG A 473 -9.208 5.547 -8.528 1.00 33.42 H new ATOM 0 HA ARG A 473 -9.816 7.470 -10.597 1.00 31.00 H new ATOM 0 HB2 ARG A 473 -7.563 5.482 -10.367 1.00 71.30 H new ATOM 0 HB3 ARG A 473 -7.668 6.827 -11.486 1.00 71.30 H new ATOM 0 HG2 ARG A 473 -7.785 8.373 -9.464 1.00 0.25 H new ATOM 0 HG3 ARG A 473 -7.430 6.980 -8.463 1.00 0.25 H new ATOM 0 HD2 ARG A 473 -5.352 8.113 -8.911 1.00 55.03 H new ATOM 0 HD3 ARG A 473 -5.338 6.599 -9.795 1.00 55.03 H new ATOM 0 HE ARG A 473 -6.360 8.896 -11.324 1.00 51.40 H new ATOM 0 HH11 ARG A 473 -3.543 6.874 -10.566 1.00 0.31 H new ATOM 0 HH12 ARG A 473 -2.624 7.449 -11.960 1.00 0.31 H new ATOM 0 HH21 ARG A 473 -5.174 9.626 -13.085 1.00 51.44 H new ATOM 0 HH22 ARG A 473 -3.547 9.005 -13.384 1.00 51.44 H new ATOM 576 N THR A 474 -10.184 5.895 -12.620 1.00 64.23 N ATOM 577 CA THR A 474 -10.763 5.075 -13.642 1.00 32.55 C ATOM 578 C THR A 474 -9.975 3.787 -13.874 1.00 23.15 C ATOM 579 O THR A 474 -8.833 3.815 -14.343 1.00 44.45 O ATOM 580 CB THR A 474 -10.930 5.883 -14.913 1.00 21.32 C ATOM 581 OG1 THR A 474 -9.787 6.768 -15.067 1.00 71.33 O ATOM 582 CG2 THR A 474 -12.215 6.691 -14.842 1.00 64.51 C ATOM 0 H THR A 474 -9.887 6.816 -12.942 1.00 64.23 H new ATOM 0 HA THR A 474 -11.749 4.755 -13.305 1.00 32.55 H new ATOM 0 HB THR A 474 -10.986 5.214 -15.772 1.00 21.32 H new ATOM 0 HG1 THR A 474 -9.888 7.293 -15.889 1.00 71.33 H new ATOM 0 HG21 THR A 474 -12.331 7.271 -15.758 1.00 64.51 H new ATOM 0 HG22 THR A 474 -13.063 6.016 -14.729 1.00 64.51 H new ATOM 0 HG23 THR A 474 -12.173 7.367 -13.988 1.00 64.51 H new ATOM 590 N HIS A 475 -10.599 2.672 -13.484 1.00 45.41 N ATOM 591 CA HIS A 475 -10.007 1.335 -13.510 1.00 61.43 C ATOM 592 C HIS A 475 -8.806 1.304 -12.553 1.00 32.40 C ATOM 593 O HIS A 475 -7.800 0.632 -12.780 1.00 43.43 O ATOM 594 CB HIS A 475 -9.633 0.887 -14.947 1.00 4.13 C ATOM 595 CG HIS A 475 -9.293 -0.582 -15.061 1.00 13.25 C ATOM 596 ND1 HIS A 475 -8.189 -1.072 -15.717 1.00 61.41 N ATOM 597 CD2 HIS A 475 -9.965 -1.667 -14.604 1.00 23.41 C ATOM 598 CE1 HIS A 475 -8.218 -2.405 -15.647 1.00 32.24 C ATOM 599 NE2 HIS A 475 -9.283 -2.824 -14.977 1.00 11.25 N ATOM 0 H HIS A 475 -11.556 2.676 -13.132 1.00 45.41 H new ATOM 0 HA HIS A 475 -10.747 0.611 -13.168 1.00 61.43 H new ATOM 0 HB2 HIS A 475 -10.465 1.110 -15.615 1.00 4.13 H new ATOM 0 HB3 HIS A 475 -8.782 1.475 -15.290 1.00 4.13 H new ATOM 0 HD2 HIS A 475 -10.885 -1.639 -14.039 1.00 23.41 H new ATOM 0 HE1 HIS A 475 -7.472 -3.056 -16.079 1.00 32.24 H new ATOM 0 HE2 HIS A 475 -9.547 -3.789 -14.777 1.00 11.25 H new ATOM 607 N GLY A 476 -8.946 2.040 -11.459 1.00 34.25 N ATOM 608 CA GLY A 476 -7.947 2.056 -10.425 1.00 51.21 C ATOM 609 C GLY A 476 -7.987 0.785 -9.606 1.00 4.42 C ATOM 610 O GLY A 476 -7.097 0.528 -8.802 1.00 71.30 O ATOM 0 H GLY A 476 -9.753 2.635 -11.273 1.00 34.25 H new ATOM 0 HA2 GLY A 476 -6.960 2.173 -10.872 1.00 51.21 H new ATOM 0 HA3 GLY A 476 -8.107 2.916 -9.775 1.00 51.21 H new ATOM 614 N VAL A 477 -9.028 0.000 -9.816 1.00 14.54 N ATOM 615 CA VAL A 477 -9.198 -1.267 -9.158 1.00 53.22 C ATOM 616 C VAL A 477 -8.374 -2.358 -9.861 1.00 45.15 C ATOM 617 O VAL A 477 -8.692 -2.814 -10.966 1.00 54.33 O ATOM 618 CB VAL A 477 -10.716 -1.661 -9.022 1.00 13.14 C ATOM 619 CG1 VAL A 477 -11.451 -1.615 -10.365 1.00 55.30 C ATOM 620 CG2 VAL A 477 -10.881 -3.032 -8.364 1.00 51.14 C ATOM 0 H VAL A 477 -9.785 0.235 -10.458 1.00 14.54 H new ATOM 0 HA VAL A 477 -8.817 -1.170 -8.141 1.00 53.22 H new ATOM 0 HB VAL A 477 -11.173 -0.913 -8.375 1.00 13.14 H new ATOM 0 HG11 VAL A 477 -12.494 -1.895 -10.219 1.00 55.30 H new ATOM 0 HG12 VAL A 477 -11.400 -0.606 -10.773 1.00 55.30 H new ATOM 0 HG13 VAL A 477 -10.983 -2.312 -11.060 1.00 55.30 H new ATOM 0 HG21 VAL A 477 -11.941 -3.273 -8.286 1.00 51.14 H new ATOM 0 HG22 VAL A 477 -10.381 -3.788 -8.969 1.00 51.14 H new ATOM 0 HG23 VAL A 477 -10.439 -3.013 -7.368 1.00 51.14 H new ATOM 630 N HIS A 478 -7.300 -2.721 -9.237 1.00 73.44 N ATOM 631 CA HIS A 478 -6.403 -3.720 -9.744 1.00 74.21 C ATOM 632 C HIS A 478 -6.434 -4.925 -8.859 1.00 21.23 C ATOM 633 O HIS A 478 -5.831 -4.936 -7.786 1.00 2.20 O ATOM 634 CB HIS A 478 -4.976 -3.181 -9.833 1.00 51.23 C ATOM 635 CG HIS A 478 -4.792 -2.100 -10.845 1.00 21.53 C ATOM 636 ND1 HIS A 478 -5.149 -0.784 -10.649 1.00 41.55 N ATOM 637 CD2 HIS A 478 -4.270 -2.164 -12.082 1.00 44.22 C ATOM 638 CE1 HIS A 478 -4.838 -0.106 -11.751 1.00 3.10 C ATOM 639 NE2 HIS A 478 -4.298 -0.901 -12.661 1.00 4.25 N ATOM 0 H HIS A 478 -7.012 -2.326 -8.342 1.00 73.44 H new ATOM 0 HA HIS A 478 -6.729 -3.995 -10.747 1.00 74.21 H new ATOM 0 HB2 HIS A 478 -4.681 -2.801 -8.855 1.00 51.23 H new ATOM 0 HB3 HIS A 478 -4.303 -4.005 -10.071 1.00 51.23 H new ATOM 0 HD1 HIS A 478 -5.576 -0.397 -9.807 1.00 41.55 H new ATOM 0 HD2 HIS A 478 -3.888 -3.058 -12.553 1.00 44.22 H new ATOM 0 HE1 HIS A 478 -5.004 0.953 -11.885 1.00 3.10 H new ATOM 647 N MET A 479 -7.178 -5.909 -9.261 1.00 11.22 N ATOM 648 CA MET A 479 -7.239 -7.141 -8.520 1.00 1.30 C ATOM 649 C MET A 479 -6.055 -7.972 -8.906 1.00 30.32 C ATOM 650 O MET A 479 -5.766 -8.127 -10.100 1.00 1.54 O ATOM 651 CB MET A 479 -8.523 -7.908 -8.815 1.00 55.22 C ATOM 652 CG MET A 479 -9.801 -7.152 -8.470 1.00 2.00 C ATOM 653 SD MET A 479 -11.302 -8.081 -8.861 1.00 31.02 S ATOM 654 CE MET A 479 -11.163 -8.238 -10.648 1.00 50.04 C ATOM 0 H MET A 479 -7.756 -5.887 -10.101 1.00 11.22 H new ATOM 0 HA MET A 479 -7.229 -6.918 -7.453 1.00 1.30 H new ATOM 0 HB2 MET A 479 -8.543 -8.166 -9.874 1.00 55.22 H new ATOM 0 HB3 MET A 479 -8.508 -8.845 -8.259 1.00 55.22 H new ATOM 0 HG2 MET A 479 -9.797 -6.910 -7.407 1.00 2.00 H new ATOM 0 HG3 MET A 479 -9.814 -6.207 -9.012 1.00 2.00 H new ATOM 0 HE1 MET A 479 -12.140 -8.475 -11.070 1.00 50.04 H new ATOM 0 HE2 MET A 479 -10.804 -7.299 -11.069 1.00 50.04 H new ATOM 0 HE3 MET A 479 -10.461 -9.036 -10.890 1.00 50.04 H new ATOM 664 N VAL A 480 -5.366 -8.472 -7.934 1.00 10.55 N ATOM 665 CA VAL A 480 -4.205 -9.283 -8.175 1.00 33.41 C ATOM 666 C VAL A 480 -4.685 -10.689 -8.444 1.00 61.25 C ATOM 667 O VAL A 480 -5.400 -11.257 -7.630 1.00 63.33 O ATOM 668 CB VAL A 480 -3.239 -9.262 -6.962 1.00 64.22 C ATOM 669 CG1 VAL A 480 -1.996 -10.076 -7.253 1.00 34.10 C ATOM 670 CG2 VAL A 480 -2.863 -7.828 -6.598 1.00 15.52 C ATOM 0 H VAL A 480 -5.587 -8.333 -6.948 1.00 10.55 H new ATOM 0 HA VAL A 480 -3.649 -8.893 -9.028 1.00 33.41 H new ATOM 0 HB VAL A 480 -3.753 -9.711 -6.112 1.00 64.22 H new ATOM 0 HG11 VAL A 480 -1.332 -10.048 -6.389 1.00 34.10 H new ATOM 0 HG12 VAL A 480 -2.277 -11.108 -7.461 1.00 34.10 H new ATOM 0 HG13 VAL A 480 -1.482 -9.659 -8.119 1.00 34.10 H new ATOM 0 HG21 VAL A 480 -2.185 -7.835 -5.745 1.00 15.52 H new ATOM 0 HG22 VAL A 480 -2.372 -7.354 -7.448 1.00 15.52 H new ATOM 0 HG23 VAL A 480 -3.763 -7.270 -6.341 1.00 15.52 H new ATOM 680 N LEU A 481 -4.347 -11.224 -9.583 1.00 52.33 N ATOM 681 CA LEU A 481 -4.836 -12.522 -9.972 1.00 1.13 C ATOM 682 C LEU A 481 -3.792 -13.592 -9.721 1.00 51.41 C ATOM 683 O LEU A 481 -2.579 -13.316 -9.694 1.00 54.03 O ATOM 684 CB LEU A 481 -5.251 -12.536 -11.454 1.00 12.51 C ATOM 685 CG LEU A 481 -6.267 -11.470 -11.908 1.00 3.14 C ATOM 686 CD1 LEU A 481 -6.581 -11.632 -13.383 1.00 4.02 C ATOM 687 CD2 LEU A 481 -7.547 -11.533 -11.091 1.00 41.32 C ATOM 0 H LEU A 481 -3.731 -10.780 -10.264 1.00 52.33 H new ATOM 0 HA LEU A 481 -5.713 -12.737 -9.362 1.00 1.13 H new ATOM 0 HB2 LEU A 481 -4.351 -12.425 -12.059 1.00 12.51 H new ATOM 0 HB3 LEU A 481 -5.667 -13.518 -11.680 1.00 12.51 H new ATOM 0 HG LEU A 481 -5.813 -10.492 -11.745 1.00 3.14 H new ATOM 0 HD11 LEU A 481 -7.300 -10.872 -13.688 1.00 4.02 H new ATOM 0 HD12 LEU A 481 -5.666 -11.520 -13.964 1.00 4.02 H new ATOM 0 HD13 LEU A 481 -7.003 -12.621 -13.559 1.00 4.02 H new ATOM 0 HD21 LEU A 481 -8.239 -10.767 -11.440 1.00 41.32 H new ATOM 0 HD22 LEU A 481 -8.005 -12.515 -11.207 1.00 41.32 H new ATOM 0 HD23 LEU A 481 -7.316 -11.362 -10.040 1.00 41.32 H new ATOM 699 N ASN A 482 -4.259 -14.793 -9.545 1.00 64.25 N ATOM 700 CA ASN A 482 -3.412 -15.944 -9.320 1.00 63.35 C ATOM 701 C ASN A 482 -3.375 -16.691 -10.659 1.00 61.44 C ATOM 702 O ASN A 482 -4.099 -16.302 -11.583 1.00 12.44 O ATOM 703 CB ASN A 482 -4.030 -16.820 -8.172 1.00 23.12 C ATOM 704 CG ASN A 482 -3.090 -17.890 -7.574 1.00 43.05 C ATOM 705 OD1 ASN A 482 -2.218 -18.429 -8.243 1.00 30.45 O ATOM 706 ND2 ASN A 482 -3.270 -18.203 -6.309 1.00 44.21 N ATOM 0 H ASN A 482 -5.255 -15.012 -9.553 1.00 64.25 H new ATOM 0 HA ASN A 482 -2.402 -15.681 -9.005 1.00 63.35 H new ATOM 0 HB2 ASN A 482 -4.357 -16.159 -7.369 1.00 23.12 H new ATOM 0 HB3 ASN A 482 -4.920 -17.317 -8.557 1.00 23.12 H new ATOM 0 HD21 ASN A 482 -2.677 -18.906 -5.868 1.00 44.21 H new ATOM 0 HD22 ASN A 482 -4.002 -17.742 -5.769 1.00 44.21 H new ATOM 713 N HIS A 483 -2.591 -17.754 -10.766 1.00 23.44 N ATOM 714 CA HIS A 483 -2.451 -18.524 -12.011 1.00 34.43 C ATOM 715 C HIS A 483 -3.808 -19.098 -12.451 1.00 3.51 C ATOM 716 O HIS A 483 -4.046 -19.318 -13.626 1.00 33.22 O ATOM 717 CB HIS A 483 -1.413 -19.651 -11.830 1.00 72.35 C ATOM 718 CG HIS A 483 -1.128 -20.437 -13.083 1.00 40.23 C ATOM 719 ND1 HIS A 483 -1.695 -21.658 -13.372 1.00 61.23 N ATOM 720 CD2 HIS A 483 -0.322 -20.142 -14.133 1.00 51.15 C ATOM 721 CE1 HIS A 483 -1.234 -22.065 -14.548 1.00 65.31 C ATOM 722 NE2 HIS A 483 -0.392 -21.176 -15.063 1.00 23.21 N ATOM 0 H HIS A 483 -2.029 -18.114 -9.995 1.00 23.44 H new ATOM 0 HA HIS A 483 -2.099 -17.853 -12.795 1.00 34.43 H new ATOM 0 HB2 HIS A 483 -0.481 -19.216 -11.468 1.00 72.35 H new ATOM 0 HB3 HIS A 483 -1.767 -20.335 -11.059 1.00 72.35 H new ATOM 0 HD2 HIS A 483 0.277 -19.249 -14.232 1.00 51.15 H new ATOM 0 HE1 HIS A 483 -1.507 -22.996 -15.023 1.00 65.31 H new ATOM 0 HE2 HIS A 483 0.101 -21.238 -15.954 1.00 23.21 H new ATOM 730 N GLN A 484 -4.694 -19.274 -11.484 1.00 33.14 N ATOM 731 CA GLN A 484 -6.047 -19.773 -11.707 1.00 21.55 C ATOM 732 C GLN A 484 -6.904 -18.737 -12.490 1.00 52.24 C ATOM 733 O GLN A 484 -7.934 -19.076 -13.085 1.00 44.15 O ATOM 734 CB GLN A 484 -6.684 -20.097 -10.343 1.00 73.31 C ATOM 735 CG GLN A 484 -8.111 -20.628 -10.395 1.00 21.50 C ATOM 736 CD GLN A 484 -8.691 -20.920 -9.024 1.00 72.55 C ATOM 737 OE1 GLN A 484 -9.891 -20.798 -8.811 1.00 64.03 O ATOM 738 NE2 GLN A 484 -7.877 -21.358 -8.105 1.00 73.25 N ATOM 0 H GLN A 484 -4.493 -19.072 -10.505 1.00 33.14 H new ATOM 0 HA GLN A 484 -6.005 -20.677 -12.314 1.00 21.55 H new ATOM 0 HB2 GLN A 484 -6.060 -20.832 -9.836 1.00 73.31 H new ATOM 0 HB3 GLN A 484 -6.673 -19.194 -9.733 1.00 73.31 H new ATOM 0 HG2 GLN A 484 -8.744 -19.900 -10.903 1.00 21.50 H new ATOM 0 HG3 GLN A 484 -8.131 -21.540 -10.992 1.00 21.50 H new ATOM 0 HE21 GLN A 484 -6.882 -21.451 -8.307 1.00 73.25 H new ATOM 0 HE22 GLN A 484 -8.235 -21.608 -7.183 1.00 73.25 H new ATOM 747 N GLY A 485 -6.441 -17.494 -12.514 1.00 53.15 N ATOM 748 CA GLY A 485 -7.145 -16.432 -13.187 1.00 14.02 C ATOM 749 C GLY A 485 -8.230 -15.840 -12.332 1.00 65.03 C ATOM 750 O GLY A 485 -9.244 -15.345 -12.831 1.00 43.14 O ATOM 0 H GLY A 485 -5.571 -17.204 -12.068 1.00 53.15 H new ATOM 0 HA2 GLY A 485 -6.439 -15.651 -13.467 1.00 14.02 H new ATOM 0 HA3 GLY A 485 -7.580 -16.815 -14.110 1.00 14.02 H new ATOM 754 N ARG A 486 -8.016 -15.900 -11.049 1.00 14.44 N ATOM 755 CA ARG A 486 -8.922 -15.358 -10.070 1.00 32.10 C ATOM 756 C ARG A 486 -8.119 -14.549 -9.106 1.00 41.12 C ATOM 757 O ARG A 486 -6.922 -14.810 -8.972 1.00 1.34 O ATOM 758 CB ARG A 486 -9.668 -16.461 -9.321 1.00 73.24 C ATOM 759 CG ARG A 486 -10.750 -17.129 -10.120 1.00 41.40 C ATOM 760 CD ARG A 486 -11.501 -18.121 -9.271 1.00 65.15 C ATOM 761 NE ARG A 486 -12.699 -18.615 -9.941 1.00 62.45 N ATOM 762 CZ ARG A 486 -13.412 -19.665 -9.538 1.00 4.22 C ATOM 763 NH1 ARG A 486 -12.950 -20.457 -8.578 1.00 63.34 N ATOM 764 NH2 ARG A 486 -14.572 -19.940 -10.120 1.00 62.35 N ATOM 0 H ARG A 486 -7.189 -16.337 -10.642 1.00 14.44 H new ATOM 0 HA ARG A 486 -9.670 -14.745 -10.573 1.00 32.10 H new ATOM 0 HB2 ARG A 486 -8.950 -17.216 -9.001 1.00 73.24 H new ATOM 0 HB3 ARG A 486 -10.108 -16.037 -8.418 1.00 73.24 H new ATOM 0 HG2 ARG A 486 -11.439 -16.379 -10.507 1.00 41.40 H new ATOM 0 HG3 ARG A 486 -10.314 -17.636 -10.981 1.00 41.40 H new ATOM 0 HD2 ARG A 486 -10.848 -18.960 -9.030 1.00 65.15 H new ATOM 0 HD3 ARG A 486 -11.780 -17.653 -8.327 1.00 65.15 H new ATOM 0 HE ARG A 486 -13.013 -18.122 -10.777 1.00 62.45 H new ATOM 0 HH11 ARG A 486 -12.046 -20.262 -8.147 1.00 63.34 H new ATOM 0 HH12 ARG A 486 -13.499 -21.260 -8.272 1.00 63.34 H new ATOM 0 HH21 ARG A 486 -14.917 -19.347 -10.875 1.00 62.35 H new ATOM 0 HH22 ARG A 486 -15.119 -20.744 -9.812 1.00 62.35 H new ATOM 778 N PRO A 487 -8.724 -13.541 -8.454 1.00 45.10 N ATOM 779 CA PRO A 487 -8.032 -12.716 -7.473 1.00 54.11 C ATOM 780 C PRO A 487 -7.432 -13.560 -6.358 1.00 34.10 C ATOM 781 O PRO A 487 -8.101 -14.447 -5.808 1.00 2.50 O ATOM 782 CB PRO A 487 -9.127 -11.785 -6.916 1.00 53.13 C ATOM 783 CG PRO A 487 -10.418 -12.390 -7.352 1.00 64.42 C ATOM 784 CD PRO A 487 -10.123 -13.105 -8.633 1.00 34.21 C ATOM 0 HA PRO A 487 -7.198 -12.171 -7.916 1.00 54.11 H new ATOM 0 HB2 PRO A 487 -9.071 -11.718 -5.829 1.00 53.13 H new ATOM 0 HB3 PRO A 487 -9.017 -10.772 -7.304 1.00 53.13 H new ATOM 0 HG2 PRO A 487 -10.801 -13.079 -6.599 1.00 64.42 H new ATOM 0 HG3 PRO A 487 -11.179 -11.623 -7.499 1.00 64.42 H new ATOM 0 HD2 PRO A 487 -10.793 -13.951 -8.787 1.00 34.21 H new ATOM 0 HD3 PRO A 487 -10.234 -12.449 -9.496 1.00 34.21 H new ATOM 792 N SER A 488 -6.186 -13.285 -6.034 1.00 13.31 N ATOM 793 CA SER A 488 -5.448 -13.985 -4.994 1.00 22.04 C ATOM 794 C SER A 488 -6.068 -13.742 -3.608 1.00 4.22 C ATOM 795 O SER A 488 -5.750 -14.429 -2.635 1.00 5.20 O ATOM 796 CB SER A 488 -3.994 -13.524 -5.023 1.00 52.15 C ATOM 797 OG SER A 488 -3.444 -13.702 -6.323 1.00 73.42 O ATOM 0 H SER A 488 -5.643 -12.554 -6.494 1.00 13.31 H new ATOM 0 HA SER A 488 -5.496 -15.057 -5.185 1.00 22.04 H new ATOM 0 HB2 SER A 488 -3.933 -12.474 -4.736 1.00 52.15 H new ATOM 0 HB3 SER A 488 -3.412 -14.088 -4.294 1.00 52.15 H new ATOM 0 HG SER A 488 -2.511 -13.401 -6.328 1.00 73.42 H new ATOM 803 N GLY A 489 -6.958 -12.776 -3.547 1.00 43.22 N ATOM 804 CA GLY A 489 -7.649 -12.455 -2.332 1.00 1.11 C ATOM 805 C GLY A 489 -7.452 -11.031 -1.979 1.00 71.23 C ATOM 806 O GLY A 489 -8.124 -10.502 -1.096 1.00 15.14 O ATOM 0 H GLY A 489 -7.219 -12.194 -4.343 1.00 43.22 H new ATOM 0 HA2 GLY A 489 -8.713 -12.663 -2.447 1.00 1.11 H new ATOM 0 HA3 GLY A 489 -7.286 -13.089 -1.523 1.00 1.11 H new ATOM 810 N ASP A 490 -6.518 -10.414 -2.645 1.00 22.44 N ATOM 811 CA ASP A 490 -6.208 -9.047 -2.437 1.00 72.24 C ATOM 812 C ASP A 490 -6.295 -8.277 -3.738 1.00 44.41 C ATOM 813 O ASP A 490 -6.211 -8.860 -4.840 1.00 51.20 O ATOM 814 CB ASP A 490 -4.818 -8.912 -1.823 1.00 71.54 C ATOM 815 CG ASP A 490 -3.703 -9.408 -2.714 1.00 41.24 C ATOM 816 OD1 ASP A 490 -2.920 -8.579 -3.201 1.00 2.30 O ATOM 817 OD2 ASP A 490 -3.557 -10.640 -2.886 1.00 63.33 O ATOM 0 H ASP A 490 -5.946 -10.864 -3.359 1.00 22.44 H new ATOM 0 HA ASP A 490 -6.936 -8.625 -1.745 1.00 72.24 H new ATOM 0 HB2 ASP A 490 -4.638 -7.864 -1.582 1.00 71.54 H new ATOM 0 HB3 ASP A 490 -4.792 -9.464 -0.883 1.00 71.54 H new ATOM 822 N ALA A 491 -6.511 -6.995 -3.612 1.00 20.40 N ATOM 823 CA ALA A 491 -6.624 -6.095 -4.731 1.00 30.11 C ATOM 824 C ALA A 491 -6.198 -4.720 -4.291 1.00 70.11 C ATOM 825 O ALA A 491 -6.330 -4.380 -3.125 1.00 1.41 O ATOM 826 CB ALA A 491 -8.066 -6.042 -5.222 1.00 42.41 C ATOM 0 H ALA A 491 -6.616 -6.535 -2.707 1.00 20.40 H new ATOM 0 HA ALA A 491 -5.988 -6.447 -5.543 1.00 30.11 H new ATOM 0 HB1 ALA A 491 -8.137 -5.358 -6.068 1.00 42.41 H new ATOM 0 HB2 ALA A 491 -8.381 -7.038 -5.533 1.00 42.41 H new ATOM 0 HB3 ALA A 491 -8.712 -5.692 -4.417 1.00 42.41 H new ATOM 832 N PHE A 492 -5.684 -3.954 -5.191 1.00 62.30 N ATOM 833 CA PHE A 492 -5.284 -2.604 -4.907 1.00 43.11 C ATOM 834 C PHE A 492 -6.190 -1.666 -5.639 1.00 53.33 C ATOM 835 O PHE A 492 -6.396 -1.806 -6.835 1.00 1.23 O ATOM 836 CB PHE A 492 -3.876 -2.336 -5.381 1.00 12.11 C ATOM 837 CG PHE A 492 -2.769 -3.002 -4.634 1.00 71.32 C ATOM 838 CD1 PHE A 492 -2.149 -2.351 -3.581 1.00 62.21 C ATOM 839 CD2 PHE A 492 -2.309 -4.249 -5.014 1.00 4.00 C ATOM 840 CE1 PHE A 492 -1.094 -2.936 -2.918 1.00 11.02 C ATOM 841 CE2 PHE A 492 -1.261 -4.840 -4.350 1.00 35.52 C ATOM 842 CZ PHE A 492 -0.650 -4.179 -3.304 1.00 75.14 C ATOM 0 H PHE A 492 -5.525 -4.243 -6.156 1.00 62.30 H new ATOM 0 HA PHE A 492 -5.336 -2.458 -3.828 1.00 43.11 H new ATOM 0 HB2 PHE A 492 -3.808 -2.637 -6.426 1.00 12.11 H new ATOM 0 HB3 PHE A 492 -3.707 -1.260 -5.348 1.00 12.11 H new ATOM 0 HD1 PHE A 492 -2.497 -1.375 -3.277 1.00 62.21 H new ATOM 0 HD2 PHE A 492 -2.777 -4.763 -5.840 1.00 4.00 H new ATOM 0 HE1 PHE A 492 -0.617 -2.421 -2.098 1.00 11.02 H new ATOM 0 HE2 PHE A 492 -0.916 -5.820 -4.646 1.00 35.52 H new ATOM 0 HZ PHE A 492 0.179 -4.639 -2.787 1.00 75.14 H new ATOM 852 N ILE A 493 -6.741 -0.745 -4.943 1.00 44.02 N ATOM 853 CA ILE A 493 -7.569 0.254 -5.539 1.00 0.54 C ATOM 854 C ILE A 493 -6.907 1.586 -5.333 1.00 54.22 C ATOM 855 O ILE A 493 -6.507 1.920 -4.230 1.00 24.31 O ATOM 856 CB ILE A 493 -9.031 0.284 -4.969 1.00 73.41 C ATOM 857 CG1 ILE A 493 -9.841 -0.965 -5.338 1.00 34.53 C ATOM 858 CG2 ILE A 493 -9.779 1.515 -5.429 1.00 2.43 C ATOM 859 CD1 ILE A 493 -9.447 -2.238 -4.630 1.00 14.00 C ATOM 0 H ILE A 493 -6.634 -0.655 -3.933 1.00 44.02 H new ATOM 0 HA ILE A 493 -7.672 0.016 -6.598 1.00 0.54 H new ATOM 0 HB ILE A 493 -8.922 0.307 -3.885 1.00 73.41 H new ATOM 0 HG12 ILE A 493 -10.893 -0.767 -5.130 1.00 34.53 H new ATOM 0 HG13 ILE A 493 -9.753 -1.127 -6.412 1.00 34.53 H new ATOM 0 HG21 ILE A 493 -10.788 1.503 -5.016 1.00 2.43 H new ATOM 0 HG22 ILE A 493 -9.256 2.408 -5.086 1.00 2.43 H new ATOM 0 HG23 ILE A 493 -9.833 1.522 -6.518 1.00 2.43 H new ATOM 0 HD11 ILE A 493 -10.085 -3.055 -4.968 1.00 14.00 H new ATOM 0 HD12 ILE A 493 -8.407 -2.473 -4.856 1.00 14.00 H new ATOM 0 HD13 ILE A 493 -9.564 -2.107 -3.554 1.00 14.00 H new ATOM 871 N GLN A 494 -6.762 2.306 -6.377 1.00 3.41 N ATOM 872 CA GLN A 494 -6.112 3.593 -6.314 1.00 33.13 C ATOM 873 C GLN A 494 -7.129 4.715 -6.389 1.00 3.14 C ATOM 874 O GLN A 494 -7.951 4.775 -7.331 1.00 12.54 O ATOM 875 CB GLN A 494 -5.039 3.731 -7.404 1.00 41.10 C ATOM 876 CG GLN A 494 -4.309 5.070 -7.377 1.00 21.30 C ATOM 877 CD GLN A 494 -3.125 5.129 -8.322 1.00 74.32 C ATOM 878 OE1 GLN A 494 -3.251 5.497 -9.490 1.00 63.13 O ATOM 879 NE2 GLN A 494 -1.970 4.790 -7.825 1.00 2.31 N ATOM 0 H GLN A 494 -7.083 2.038 -7.307 1.00 3.41 H new ATOM 0 HA GLN A 494 -5.606 3.667 -5.352 1.00 33.13 H new ATOM 0 HB2 GLN A 494 -4.311 2.928 -7.289 1.00 41.10 H new ATOM 0 HB3 GLN A 494 -5.506 3.601 -8.380 1.00 41.10 H new ATOM 0 HG2 GLN A 494 -5.011 5.863 -7.635 1.00 21.30 H new ATOM 0 HG3 GLN A 494 -3.964 5.267 -6.362 1.00 21.30 H new ATOM 0 HE21 GLN A 494 -1.902 4.490 -6.853 1.00 2.31 H new ATOM 0 HE22 GLN A 494 -1.134 4.825 -8.408 1.00 2.31 H new ATOM 888 N MET A 495 -7.095 5.575 -5.399 1.00 70.54 N ATOM 889 CA MET A 495 -7.981 6.709 -5.332 1.00 25.32 C ATOM 890 C MET A 495 -7.342 7.933 -5.926 1.00 74.01 C ATOM 891 O MET A 495 -6.150 7.945 -6.256 1.00 61.31 O ATOM 892 CB MET A 495 -8.452 6.990 -3.896 1.00 40.52 C ATOM 893 CG MET A 495 -9.767 6.316 -3.525 1.00 51.30 C ATOM 894 SD MET A 495 -9.744 4.541 -3.731 1.00 21.12 S ATOM 895 CE MET A 495 -11.440 4.145 -3.317 1.00 32.51 C ATOM 0 H MET A 495 -6.448 5.506 -4.614 1.00 70.54 H new ATOM 0 HA MET A 495 -8.862 6.457 -5.923 1.00 25.32 H new ATOM 0 HB2 MET A 495 -7.679 6.660 -3.201 1.00 40.52 H new ATOM 0 HB3 MET A 495 -8.559 8.067 -3.765 1.00 40.52 H new ATOM 0 HG2 MET A 495 -10.005 6.550 -2.487 1.00 51.30 H new ATOM 0 HG3 MET A 495 -10.566 6.734 -4.138 1.00 51.30 H new ATOM 0 HE1 MET A 495 -11.460 3.514 -2.429 1.00 32.51 H new ATOM 0 HE2 MET A 495 -11.991 5.065 -3.121 1.00 32.51 H new ATOM 0 HE3 MET A 495 -11.903 3.615 -4.149 1.00 32.51 H new ATOM 905 N LYS A 496 -8.143 8.951 -6.078 1.00 1.41 N ATOM 906 CA LYS A 496 -7.728 10.212 -6.648 1.00 61.01 C ATOM 907 C LYS A 496 -6.774 10.938 -5.686 1.00 3.11 C ATOM 908 O LYS A 496 -5.906 11.698 -6.105 1.00 51.33 O ATOM 909 CB LYS A 496 -8.992 11.048 -6.878 1.00 62.02 C ATOM 910 CG LYS A 496 -8.981 11.982 -8.100 1.00 13.42 C ATOM 911 CD LYS A 496 -8.014 13.146 -7.971 1.00 73.02 C ATOM 912 CE LYS A 496 -8.080 14.036 -9.202 1.00 22.11 C ATOM 913 NZ LYS A 496 -7.245 15.249 -9.067 1.00 4.02 N ATOM 0 H LYS A 496 -9.125 8.931 -5.804 1.00 1.41 H new ATOM 0 HA LYS A 496 -7.198 10.056 -7.587 1.00 61.01 H new ATOM 0 HB2 LYS A 496 -9.838 10.368 -6.975 1.00 62.02 H new ATOM 0 HB3 LYS A 496 -9.169 11.652 -5.988 1.00 62.02 H new ATOM 0 HG2 LYS A 496 -8.722 11.403 -8.986 1.00 13.42 H new ATOM 0 HG3 LYS A 496 -9.987 12.372 -8.257 1.00 13.42 H new ATOM 0 HD2 LYS A 496 -8.254 13.728 -7.081 1.00 73.02 H new ATOM 0 HD3 LYS A 496 -6.999 12.770 -7.842 1.00 73.02 H new ATOM 0 HE2 LYS A 496 -7.754 13.469 -10.074 1.00 22.11 H new ATOM 0 HE3 LYS A 496 -9.115 14.329 -9.380 1.00 22.11 H new ATOM 0 HZ1 LYS A 496 -7.324 15.823 -9.931 1.00 4.02 H new ATOM 0 HZ2 LYS A 496 -7.571 15.806 -8.251 1.00 4.02 H new ATOM 0 HZ3 LYS A 496 -6.253 14.973 -8.924 1.00 4.02 H new ATOM 927 N SER A 497 -6.931 10.686 -4.402 1.00 51.13 N ATOM 928 CA SER A 497 -6.165 11.359 -3.382 1.00 74.31 C ATOM 929 C SER A 497 -6.084 10.471 -2.142 1.00 23.43 C ATOM 930 O SER A 497 -7.021 9.687 -1.864 1.00 20.24 O ATOM 931 CB SER A 497 -6.812 12.714 -3.020 1.00 51.22 C ATOM 932 OG SER A 497 -6.981 13.541 -4.169 1.00 52.31 O ATOM 0 H SER A 497 -7.598 10.005 -4.039 1.00 51.13 H new ATOM 0 HA SER A 497 -5.161 11.550 -3.761 1.00 74.31 H new ATOM 0 HB2 SER A 497 -7.780 12.541 -2.550 1.00 51.22 H new ATOM 0 HB3 SER A 497 -6.191 13.230 -2.288 1.00 51.22 H new ATOM 0 HG SER A 497 -7.394 14.389 -3.904 1.00 52.31 H new ATOM 938 N ALA A 498 -5.004 10.625 -1.392 1.00 31.44 N ATOM 939 CA ALA A 498 -4.715 9.832 -0.196 1.00 14.24 C ATOM 940 C ALA A 498 -5.754 10.015 0.899 1.00 13.32 C ATOM 941 O ALA A 498 -5.940 9.132 1.730 1.00 62.22 O ATOM 942 CB ALA A 498 -3.327 10.161 0.332 1.00 65.50 C ATOM 0 H ALA A 498 -4.285 11.319 -1.598 1.00 31.44 H new ATOM 0 HA ALA A 498 -4.753 8.784 -0.494 1.00 14.24 H new ATOM 0 HB1 ALA A 498 -3.125 9.564 1.221 1.00 65.50 H new ATOM 0 HB2 ALA A 498 -2.584 9.935 -0.433 1.00 65.50 H new ATOM 0 HB3 ALA A 498 -3.276 11.220 0.586 1.00 65.50 H new ATOM 948 N ASP A 499 -6.425 11.162 0.897 1.00 30.23 N ATOM 949 CA ASP A 499 -7.483 11.482 1.884 1.00 43.34 C ATOM 950 C ASP A 499 -8.527 10.407 1.886 1.00 54.31 C ATOM 951 O ASP A 499 -8.857 9.827 2.917 1.00 51.41 O ATOM 952 CB ASP A 499 -8.207 12.785 1.530 1.00 52.30 C ATOM 953 CG ASP A 499 -7.336 13.986 1.377 1.00 74.53 C ATOM 954 OD1 ASP A 499 -6.599 14.062 0.376 1.00 25.23 O ATOM 955 OD2 ASP A 499 -7.442 14.917 2.186 1.00 42.04 O ATOM 0 H ASP A 499 -6.260 11.904 0.217 1.00 30.23 H new ATOM 0 HA ASP A 499 -6.991 11.572 2.852 1.00 43.34 H new ATOM 0 HB2 ASP A 499 -8.754 12.634 0.599 1.00 52.30 H new ATOM 0 HB3 ASP A 499 -8.946 12.991 2.304 1.00 52.30 H new ATOM 960 N ARG A 500 -9.007 10.115 0.701 1.00 65.00 N ATOM 961 CA ARG A 500 -10.076 9.169 0.511 1.00 74.23 C ATOM 962 C ARG A 500 -9.629 7.794 0.894 1.00 24.00 C ATOM 963 O ARG A 500 -10.371 7.044 1.504 1.00 71.52 O ATOM 964 CB ARG A 500 -10.577 9.158 -0.931 1.00 24.25 C ATOM 965 CG ARG A 500 -11.316 10.407 -1.396 1.00 52.32 C ATOM 966 CD ARG A 500 -10.436 11.637 -1.552 1.00 32.03 C ATOM 967 NE ARG A 500 -11.158 12.722 -2.213 1.00 74.20 N ATOM 968 CZ ARG A 500 -10.827 14.025 -2.212 1.00 12.12 C ATOM 969 NH1 ARG A 500 -9.736 14.464 -1.560 1.00 53.24 N ATOM 970 NH2 ARG A 500 -11.588 14.884 -2.871 1.00 62.35 N ATOM 0 H ARG A 500 -8.663 10.531 -0.164 1.00 65.00 H new ATOM 0 HA ARG A 500 -10.899 9.480 1.154 1.00 74.23 H new ATOM 0 HB2 ARG A 500 -9.723 9.000 -1.589 1.00 24.25 H new ATOM 0 HB3 ARG A 500 -11.239 8.301 -1.057 1.00 24.25 H new ATOM 0 HG2 ARG A 500 -11.796 10.195 -2.351 1.00 52.32 H new ATOM 0 HG3 ARG A 500 -12.110 10.631 -0.683 1.00 52.32 H new ATOM 0 HD2 ARG A 500 -10.093 11.969 -0.572 1.00 32.03 H new ATOM 0 HD3 ARG A 500 -9.548 11.382 -2.131 1.00 32.03 H new ATOM 0 HE ARG A 500 -12.000 12.464 -2.728 1.00 74.20 H new ATOM 0 HH11 ARG A 500 -9.144 13.805 -1.055 1.00 53.24 H new ATOM 0 HH12 ARG A 500 -9.501 15.456 -1.570 1.00 53.24 H new ATOM 0 HH21 ARG A 500 -12.414 14.555 -3.371 1.00 62.35 H new ATOM 0 HH22 ARG A 500 -11.349 15.876 -2.879 1.00 62.35 H new ATOM 984 N ALA A 501 -8.393 7.494 0.575 1.00 2.12 N ATOM 985 CA ALA A 501 -7.835 6.201 0.855 1.00 13.41 C ATOM 986 C ALA A 501 -7.711 5.979 2.351 1.00 54.22 C ATOM 987 O ALA A 501 -8.033 4.902 2.851 1.00 32.50 O ATOM 988 CB ALA A 501 -6.496 6.037 0.160 1.00 32.25 C ATOM 0 H ALA A 501 -7.751 8.140 0.116 1.00 2.12 H new ATOM 0 HA ALA A 501 -8.512 5.441 0.464 1.00 13.41 H new ATOM 0 HB1 ALA A 501 -6.088 5.051 0.384 1.00 32.25 H new ATOM 0 HB2 ALA A 501 -6.630 6.138 -0.917 1.00 32.25 H new ATOM 0 HB3 ALA A 501 -5.806 6.804 0.513 1.00 32.25 H new ATOM 994 N PHE A 502 -7.301 7.019 3.072 1.00 61.42 N ATOM 995 CA PHE A 502 -7.115 6.917 4.504 1.00 34.20 C ATOM 996 C PHE A 502 -8.453 6.749 5.194 1.00 42.03 C ATOM 997 O PHE A 502 -8.607 5.926 6.095 1.00 12.01 O ATOM 998 CB PHE A 502 -6.360 8.149 5.033 1.00 54.41 C ATOM 999 CG PHE A 502 -5.978 8.075 6.490 1.00 52.03 C ATOM 1000 CD1 PHE A 502 -6.771 8.664 7.467 1.00 10.12 C ATOM 1001 CD2 PHE A 502 -4.816 7.425 6.879 1.00 25.03 C ATOM 1002 CE1 PHE A 502 -6.414 8.598 8.800 1.00 1.23 C ATOM 1003 CE2 PHE A 502 -4.456 7.357 8.210 1.00 4.33 C ATOM 1004 CZ PHE A 502 -5.254 7.945 9.171 1.00 31.05 C ATOM 0 H PHE A 502 -7.093 7.938 2.682 1.00 61.42 H new ATOM 0 HA PHE A 502 -6.511 6.036 4.724 1.00 34.20 H new ATOM 0 HB2 PHE A 502 -5.455 8.286 4.441 1.00 54.41 H new ATOM 0 HB3 PHE A 502 -6.980 9.032 4.878 1.00 54.41 H new ATOM 0 HD1 PHE A 502 -7.676 9.179 7.181 1.00 10.12 H new ATOM 0 HD2 PHE A 502 -4.185 6.967 6.132 1.00 25.03 H new ATOM 0 HE1 PHE A 502 -7.041 9.056 9.551 1.00 1.23 H new ATOM 0 HE2 PHE A 502 -3.551 6.844 8.499 1.00 4.33 H new ATOM 0 HZ PHE A 502 -4.972 7.895 10.212 1.00 31.05 H new ATOM 1014 N MET A 503 -9.433 7.484 4.725 1.00 13.05 N ATOM 1015 CA MET A 503 -10.749 7.431 5.312 1.00 54.32 C ATOM 1016 C MET A 503 -11.421 6.106 5.008 1.00 4.10 C ATOM 1017 O MET A 503 -12.086 5.528 5.872 1.00 74.03 O ATOM 1018 CB MET A 503 -11.610 8.601 4.850 1.00 51.12 C ATOM 1019 CG MET A 503 -11.109 9.949 5.316 1.00 72.14 C ATOM 1020 SD MET A 503 -12.100 11.315 4.681 1.00 32.55 S ATOM 1021 CE MET A 503 -11.244 12.695 5.431 1.00 32.21 C ATOM 0 H MET A 503 -9.343 8.126 3.938 1.00 13.05 H new ATOM 0 HA MET A 503 -10.636 7.513 6.393 1.00 54.32 H new ATOM 0 HB2 MET A 503 -11.657 8.598 3.761 1.00 51.12 H new ATOM 0 HB3 MET A 503 -12.628 8.457 5.213 1.00 51.12 H new ATOM 0 HG2 MET A 503 -11.114 9.977 6.406 1.00 72.14 H new ATOM 0 HG3 MET A 503 -10.074 10.077 4.998 1.00 72.14 H new ATOM 0 HE1 MET A 503 -11.730 13.626 5.140 1.00 32.21 H new ATOM 0 HE2 MET A 503 -11.272 12.594 6.516 1.00 32.21 H new ATOM 0 HE3 MET A 503 -10.207 12.706 5.095 1.00 32.21 H new ATOM 1031 N ALA A 504 -11.211 5.606 3.804 1.00 14.11 N ATOM 1032 CA ALA A 504 -11.786 4.343 3.395 1.00 14.05 C ATOM 1033 C ALA A 504 -11.171 3.208 4.177 1.00 64.21 C ATOM 1034 O ALA A 504 -11.876 2.318 4.638 1.00 22.04 O ATOM 1035 CB ALA A 504 -11.608 4.117 1.905 1.00 13.30 C ATOM 0 H ALA A 504 -10.642 6.061 3.090 1.00 14.11 H new ATOM 0 HA ALA A 504 -12.855 4.375 3.605 1.00 14.05 H new ATOM 0 HB1 ALA A 504 -12.050 3.160 1.627 1.00 13.30 H new ATOM 0 HB2 ALA A 504 -12.101 4.918 1.354 1.00 13.30 H new ATOM 0 HB3 ALA A 504 -10.545 4.110 1.662 1.00 13.30 H new ATOM 1041 N ALA A 505 -9.863 3.264 4.363 1.00 2.02 N ATOM 1042 CA ALA A 505 -9.155 2.237 5.089 1.00 50.13 C ATOM 1043 C ALA A 505 -9.542 2.246 6.542 1.00 71.14 C ATOM 1044 O ALA A 505 -9.702 1.217 7.142 1.00 55.44 O ATOM 1045 CB ALA A 505 -7.658 2.398 4.939 1.00 42.42 C ATOM 0 H ALA A 505 -9.271 4.018 4.016 1.00 2.02 H new ATOM 0 HA ALA A 505 -9.437 1.274 4.663 1.00 50.13 H new ATOM 0 HB1 ALA A 505 -7.150 1.611 5.496 1.00 42.42 H new ATOM 0 HB2 ALA A 505 -7.388 2.329 3.885 1.00 42.42 H new ATOM 0 HB3 ALA A 505 -7.356 3.371 5.328 1.00 42.42 H new ATOM 1051 N GLN A 506 -9.732 3.414 7.092 1.00 73.21 N ATOM 1052 CA GLN A 506 -10.100 3.523 8.479 1.00 14.21 C ATOM 1053 C GLN A 506 -11.528 3.038 8.708 1.00 15.04 C ATOM 1054 O GLN A 506 -11.806 2.353 9.693 1.00 24.01 O ATOM 1055 CB GLN A 506 -9.908 4.956 8.981 1.00 41.32 C ATOM 1056 CG GLN A 506 -10.128 5.140 10.478 1.00 53.43 C ATOM 1057 CD GLN A 506 -9.228 4.252 11.312 1.00 13.43 C ATOM 1058 OE1 GLN A 506 -8.113 4.625 11.651 1.00 50.14 O ATOM 1059 NE2 GLN A 506 -9.697 3.083 11.651 1.00 21.52 N ATOM 0 H GLN A 506 -9.638 4.304 6.602 1.00 73.21 H new ATOM 0 HA GLN A 506 -9.439 2.877 9.057 1.00 14.21 H new ATOM 0 HB2 GLN A 506 -8.898 5.281 8.733 1.00 41.32 H new ATOM 0 HB3 GLN A 506 -10.594 5.610 8.443 1.00 41.32 H new ATOM 0 HG2 GLN A 506 -9.950 6.182 10.742 1.00 53.43 H new ATOM 0 HG3 GLN A 506 -11.169 4.924 10.718 1.00 53.43 H new ATOM 0 HE21 GLN A 506 -10.631 2.802 11.352 1.00 21.52 H new ATOM 0 HE22 GLN A 506 -9.130 2.450 12.215 1.00 21.52 H new ATOM 1068 N LYS A 507 -12.409 3.357 7.794 1.00 10.40 N ATOM 1069 CA LYS A 507 -13.791 2.982 7.926 1.00 24.42 C ATOM 1070 C LYS A 507 -13.995 1.494 7.599 1.00 74.42 C ATOM 1071 O LYS A 507 -14.884 0.842 8.143 1.00 11.43 O ATOM 1072 CB LYS A 507 -14.672 3.897 7.047 1.00 73.01 C ATOM 1073 CG LYS A 507 -16.171 3.651 7.156 1.00 65.25 C ATOM 1074 CD LYS A 507 -16.964 4.752 6.459 1.00 42.31 C ATOM 1075 CE LYS A 507 -18.463 4.512 6.570 1.00 44.21 C ATOM 1076 NZ LYS A 507 -19.261 5.686 6.140 1.00 72.14 N ATOM 0 H LYS A 507 -12.190 3.879 6.946 1.00 10.40 H new ATOM 0 HA LYS A 507 -14.097 3.118 8.963 1.00 24.42 H new ATOM 0 HB2 LYS A 507 -14.470 4.934 7.313 1.00 73.01 H new ATOM 0 HB3 LYS A 507 -14.374 3.771 6.006 1.00 73.01 H new ATOM 0 HG2 LYS A 507 -16.417 2.686 6.713 1.00 65.25 H new ATOM 0 HG3 LYS A 507 -16.458 3.602 8.206 1.00 65.25 H new ATOM 0 HD2 LYS A 507 -16.715 5.717 6.900 1.00 42.31 H new ATOM 0 HD3 LYS A 507 -16.678 4.799 5.408 1.00 42.31 H new ATOM 0 HE2 LYS A 507 -18.735 3.649 5.962 1.00 44.21 H new ATOM 0 HE3 LYS A 507 -18.713 4.266 7.602 1.00 44.21 H new ATOM 0 HZ1 LYS A 507 -20.249 5.398 5.991 1.00 72.14 H new ATOM 0 HZ2 LYS A 507 -19.222 6.421 6.875 1.00 72.14 H new ATOM 0 HZ3 LYS A 507 -18.873 6.063 5.252 1.00 72.14 H new ATOM 1090 N CYS A 508 -13.154 0.953 6.752 1.00 53.12 N ATOM 1091 CA CYS A 508 -13.313 -0.408 6.325 1.00 4.34 C ATOM 1092 C CYS A 508 -12.153 -1.329 6.782 1.00 44.24 C ATOM 1093 O CYS A 508 -11.947 -2.435 6.229 1.00 73.05 O ATOM 1094 CB CYS A 508 -13.497 -0.447 4.815 1.00 25.13 C ATOM 1095 SG CYS A 508 -14.809 0.644 4.213 1.00 23.23 S ATOM 0 H CYS A 508 -12.353 1.438 6.347 1.00 53.12 H new ATOM 0 HA CYS A 508 -14.205 -0.805 6.809 1.00 4.34 H new ATOM 0 HB2 CYS A 508 -12.558 -0.170 4.336 1.00 25.13 H new ATOM 0 HB3 CYS A 508 -13.720 -1.470 4.511 1.00 25.13 H new ATOM 0 HG CYS A 508 -14.893 0.548 2.919 1.00 23.23 H new ATOM 1101 N HIS A 509 -11.389 -0.911 7.775 1.00 61.31 N ATOM 1102 CA HIS A 509 -10.357 -1.784 8.286 1.00 21.21 C ATOM 1103 C HIS A 509 -10.994 -2.979 9.004 1.00 73.02 C ATOM 1104 O HIS A 509 -11.594 -2.817 10.080 1.00 73.22 O ATOM 1105 CB HIS A 509 -9.377 -1.047 9.217 1.00 45.34 C ATOM 1106 CG HIS A 509 -8.206 -1.895 9.637 1.00 21.03 C ATOM 1107 ND1 HIS A 509 -7.937 -2.263 10.940 1.00 0.43 N ATOM 1108 CD2 HIS A 509 -7.222 -2.449 8.884 1.00 12.11 C ATOM 1109 CE1 HIS A 509 -6.830 -3.014 10.936 1.00 51.13 C ATOM 1110 NE2 HIS A 509 -6.355 -3.157 9.710 1.00 61.21 N ATOM 0 H HIS A 509 -11.461 -0.001 8.230 1.00 61.31 H new ATOM 0 HA HIS A 509 -9.775 -2.142 7.437 1.00 21.21 H new ATOM 0 HB2 HIS A 509 -9.008 -0.154 8.712 1.00 45.34 H new ATOM 0 HB3 HIS A 509 -9.912 -0.712 10.106 1.00 45.34 H new ATOM 0 HD2 HIS A 509 -7.127 -2.355 7.812 1.00 12.11 H new ATOM 0 HE1 HIS A 509 -6.383 -3.447 11.819 1.00 51.13 H new ATOM 0 HE2 HIS A 509 -5.525 -3.678 9.428 1.00 61.21 H new ATOM 1118 N LYS A 510 -10.925 -4.147 8.343 1.00 21.12 N ATOM 1119 CA LYS A 510 -11.405 -5.436 8.863 1.00 53.22 C ATOM 1120 C LYS A 510 -12.945 -5.459 8.862 1.00 12.24 C ATOM 1121 O LYS A 510 -13.600 -6.155 9.650 1.00 61.23 O ATOM 1122 CB LYS A 510 -10.789 -5.709 10.253 1.00 53.01 C ATOM 1123 CG LYS A 510 -10.894 -7.147 10.749 1.00 41.14 C ATOM 1124 CD LYS A 510 -10.129 -7.326 12.049 1.00 54.12 C ATOM 1125 CE LYS A 510 -10.149 -8.769 12.518 1.00 60.31 C ATOM 1126 NZ LYS A 510 -9.324 -8.969 13.734 1.00 33.30 N ATOM 0 H LYS A 510 -10.523 -4.221 7.408 1.00 21.12 H new ATOM 0 HA LYS A 510 -11.079 -6.249 8.215 1.00 53.22 H new ATOM 0 HB2 LYS A 510 -9.736 -5.429 10.225 1.00 53.01 H new ATOM 0 HB3 LYS A 510 -11.273 -5.057 10.980 1.00 53.01 H new ATOM 0 HG2 LYS A 510 -11.941 -7.409 10.899 1.00 41.14 H new ATOM 0 HG3 LYS A 510 -10.500 -7.827 9.993 1.00 41.14 H new ATOM 0 HD2 LYS A 510 -9.097 -7.002 11.912 1.00 54.12 H new ATOM 0 HD3 LYS A 510 -10.564 -6.687 12.818 1.00 54.12 H new ATOM 0 HE2 LYS A 510 -11.176 -9.069 12.723 1.00 60.31 H new ATOM 0 HE3 LYS A 510 -9.782 -9.415 11.720 1.00 60.31 H new ATOM 0 HZ1 LYS A 510 -9.365 -9.968 14.021 1.00 33.30 H new ATOM 0 HZ2 LYS A 510 -8.338 -8.707 13.532 1.00 33.30 H new ATOM 0 HZ3 LYS A 510 -9.690 -8.373 14.504 1.00 33.30 H new ATOM 1140 N LYS A 511 -13.504 -4.732 7.924 1.00 21.10 N ATOM 1141 CA LYS A 511 -14.928 -4.651 7.756 1.00 41.55 C ATOM 1142 C LYS A 511 -15.421 -5.912 7.048 1.00 3.51 C ATOM 1143 O LYS A 511 -14.709 -6.495 6.231 1.00 1.10 O ATOM 1144 CB LYS A 511 -15.307 -3.387 6.959 1.00 62.23 C ATOM 1145 CG LYS A 511 -16.804 -3.137 6.841 1.00 22.23 C ATOM 1146 CD LYS A 511 -17.122 -1.867 6.067 1.00 51.30 C ATOM 1147 CE LYS A 511 -18.625 -1.612 6.039 1.00 72.12 C ATOM 1148 NZ LYS A 511 -18.977 -0.390 5.286 1.00 4.01 N ATOM 0 H LYS A 511 -12.975 -4.177 7.252 1.00 21.10 H new ATOM 0 HA LYS A 511 -15.407 -4.581 8.733 1.00 41.55 H new ATOM 0 HB2 LYS A 511 -14.844 -2.522 7.433 1.00 62.23 H new ATOM 0 HB3 LYS A 511 -14.885 -3.465 5.957 1.00 62.23 H new ATOM 0 HG2 LYS A 511 -17.273 -3.987 6.347 1.00 22.23 H new ATOM 0 HG3 LYS A 511 -17.238 -3.069 7.839 1.00 22.23 H new ATOM 0 HD2 LYS A 511 -16.613 -1.019 6.526 1.00 51.30 H new ATOM 0 HD3 LYS A 511 -16.744 -1.952 5.048 1.00 51.30 H new ATOM 0 HE2 LYS A 511 -19.127 -2.469 5.590 1.00 72.12 H new ATOM 0 HE3 LYS A 511 -18.995 -1.525 7.061 1.00 72.12 H new ATOM 0 HZ1 LYS A 511 -20.009 -0.261 5.296 1.00 4.01 H new ATOM 0 HZ2 LYS A 511 -18.521 0.434 5.728 1.00 4.01 H new ATOM 0 HZ3 LYS A 511 -18.649 -0.481 4.303 1.00 4.01 H new ATOM 1162 N ASN A 512 -16.605 -6.347 7.373 1.00 22.23 N ATOM 1163 CA ASN A 512 -17.146 -7.538 6.754 1.00 42.42 C ATOM 1164 C ASN A 512 -17.863 -7.206 5.466 1.00 4.42 C ATOM 1165 O ASN A 512 -18.586 -6.203 5.377 1.00 35.02 O ATOM 1166 CB ASN A 512 -18.051 -8.359 7.713 1.00 11.02 C ATOM 1167 CG ASN A 512 -19.297 -7.638 8.207 1.00 5.25 C ATOM 1168 OD1 ASN A 512 -20.360 -7.700 7.577 1.00 22.31 O ATOM 1169 ND2 ASN A 512 -19.201 -6.995 9.344 1.00 43.50 N ATOM 0 H ASN A 512 -17.216 -5.903 8.058 1.00 22.23 H new ATOM 0 HA ASN A 512 -16.296 -8.177 6.514 1.00 42.42 H new ATOM 0 HB2 ASN A 512 -18.358 -9.273 7.204 1.00 11.02 H new ATOM 0 HB3 ASN A 512 -17.458 -8.659 8.577 1.00 11.02 H new ATOM 0 HD21 ASN A 512 -20.018 -6.526 9.735 1.00 43.50 H new ATOM 0 HD22 ASN A 512 -18.309 -6.963 9.838 1.00 43.50 H new ATOM 1176 N MET A 513 -17.637 -8.019 4.468 1.00 74.04 N ATOM 1177 CA MET A 513 -18.240 -7.865 3.182 1.00 20.30 C ATOM 1178 C MET A 513 -18.925 -9.157 2.847 1.00 63.32 C ATOM 1179 O MET A 513 -18.291 -10.105 2.366 1.00 71.00 O ATOM 1180 CB MET A 513 -17.188 -7.515 2.122 1.00 60.14 C ATOM 1181 CG MET A 513 -17.734 -7.328 0.710 1.00 50.33 C ATOM 1182 SD MET A 513 -16.430 -6.940 -0.480 1.00 12.35 S ATOM 1183 CE MET A 513 -17.376 -6.808 -1.990 1.00 25.43 C ATOM 0 H MET A 513 -17.013 -8.823 4.534 1.00 74.04 H new ATOM 0 HA MET A 513 -18.960 -7.046 3.198 1.00 20.30 H new ATOM 0 HB2 MET A 513 -16.681 -6.599 2.424 1.00 60.14 H new ATOM 0 HB3 MET A 513 -16.436 -8.304 2.103 1.00 60.14 H new ATOM 0 HG2 MET A 513 -18.249 -8.236 0.398 1.00 50.33 H new ATOM 0 HG3 MET A 513 -18.473 -6.527 0.711 1.00 50.33 H new ATOM 0 HE1 MET A 513 -16.727 -6.467 -2.797 1.00 25.43 H new ATOM 0 HE2 MET A 513 -17.792 -7.783 -2.245 1.00 25.43 H new ATOM 0 HE3 MET A 513 -18.187 -6.093 -1.850 1.00 25.43 H new ATOM 1193 N LYS A 514 -20.192 -9.222 3.212 1.00 33.34 N ATOM 1194 CA LYS A 514 -21.045 -10.389 3.003 1.00 65.31 C ATOM 1195 C LYS A 514 -20.561 -11.610 3.773 1.00 74.21 C ATOM 1196 O LYS A 514 -20.925 -11.815 4.921 1.00 3.12 O ATOM 1197 CB LYS A 514 -21.246 -10.737 1.499 1.00 12.43 C ATOM 1198 CG LYS A 514 -22.210 -9.844 0.715 1.00 41.22 C ATOM 1199 CD LYS A 514 -21.754 -8.399 0.615 1.00 30.43 C ATOM 1200 CE LYS A 514 -22.726 -7.588 -0.217 1.00 41.32 C ATOM 1201 NZ LYS A 514 -22.778 -8.038 -1.633 1.00 62.24 N ATOM 0 H LYS A 514 -20.673 -8.450 3.673 1.00 33.34 H new ATOM 0 HA LYS A 514 -22.018 -10.104 3.403 1.00 65.31 H new ATOM 0 HB2 LYS A 514 -20.273 -10.703 1.008 1.00 12.43 H new ATOM 0 HB3 LYS A 514 -21.602 -11.765 1.431 1.00 12.43 H new ATOM 0 HG2 LYS A 514 -22.331 -10.249 -0.290 1.00 41.22 H new ATOM 0 HG3 LYS A 514 -23.190 -9.875 1.191 1.00 41.22 H new ATOM 0 HD2 LYS A 514 -21.674 -7.968 1.613 1.00 30.43 H new ATOM 0 HD3 LYS A 514 -20.761 -8.356 0.168 1.00 30.43 H new ATOM 0 HE2 LYS A 514 -23.722 -7.660 0.220 1.00 41.32 H new ATOM 0 HE3 LYS A 514 -22.439 -6.537 -0.184 1.00 41.32 H new ATOM 0 HZ1 LYS A 514 -22.453 -7.269 -2.254 1.00 62.24 H new ATOM 0 HZ2 LYS A 514 -22.162 -8.867 -1.757 1.00 62.24 H new ATOM 0 HZ3 LYS A 514 -23.755 -8.293 -1.880 1.00 62.24 H new ATOM 1215 N ASP A 515 -19.679 -12.336 3.167 1.00 32.52 N ATOM 1216 CA ASP A 515 -19.213 -13.604 3.663 1.00 42.24 C ATOM 1217 C ASP A 515 -17.882 -13.522 4.355 1.00 32.02 C ATOM 1218 O ASP A 515 -17.600 -14.279 5.302 1.00 31.11 O ATOM 1219 CB ASP A 515 -19.159 -14.607 2.504 1.00 11.34 C ATOM 1220 CG ASP A 515 -18.424 -15.909 2.803 1.00 4.11 C ATOM 1221 OD1 ASP A 515 -17.218 -16.028 2.470 1.00 63.53 O ATOM 1222 OD2 ASP A 515 -19.037 -16.853 3.304 1.00 34.00 O ATOM 0 H ASP A 515 -19.245 -12.061 2.286 1.00 32.52 H new ATOM 0 HA ASP A 515 -19.921 -13.938 4.421 1.00 42.24 H new ATOM 0 HB2 ASP A 515 -20.179 -14.846 2.204 1.00 11.34 H new ATOM 0 HB3 ASP A 515 -18.680 -14.126 1.651 1.00 11.34 H new ATOM 1227 N ARG A 516 -17.116 -12.577 3.976 1.00 2.45 N ATOM 1228 CA ARG A 516 -15.743 -12.564 4.355 1.00 72.24 C ATOM 1229 C ARG A 516 -15.355 -11.221 4.918 1.00 72.23 C ATOM 1230 O ARG A 516 -16.034 -10.235 4.686 1.00 3.12 O ATOM 1231 CB ARG A 516 -14.958 -12.914 3.112 1.00 52.15 C ATOM 1232 CG ARG A 516 -13.525 -13.326 3.330 1.00 34.12 C ATOM 1233 CD ARG A 516 -13.013 -14.053 2.102 1.00 3.41 C ATOM 1234 NE ARG A 516 -13.824 -15.259 1.830 1.00 63.40 N ATOM 1235 CZ ARG A 516 -13.857 -15.934 0.675 1.00 34.45 C ATOM 1236 NH1 ARG A 516 -13.179 -15.499 -0.383 1.00 30.52 N ATOM 1237 NH2 ARG A 516 -14.609 -17.025 0.567 1.00 44.24 N ATOM 0 H ARG A 516 -17.411 -11.790 3.398 1.00 2.45 H new ATOM 0 HA ARG A 516 -15.536 -13.284 5.147 1.00 72.24 H new ATOM 0 HB2 ARG A 516 -15.474 -13.724 2.597 1.00 52.15 H new ATOM 0 HB3 ARG A 516 -14.970 -12.053 2.444 1.00 52.15 H new ATOM 0 HG2 ARG A 516 -12.910 -12.448 3.528 1.00 34.12 H new ATOM 0 HG3 ARG A 516 -13.451 -13.972 4.205 1.00 34.12 H new ATOM 0 HD2 ARG A 516 -13.044 -13.387 1.240 1.00 3.41 H new ATOM 0 HD3 ARG A 516 -11.971 -14.336 2.249 1.00 3.41 H new ATOM 0 HE ARG A 516 -14.410 -15.607 2.589 1.00 63.40 H new ATOM 0 HH11 ARG A 516 -12.627 -14.644 -0.319 1.00 30.52 H new ATOM 0 HH12 ARG A 516 -13.211 -16.021 -1.259 1.00 30.52 H new ATOM 0 HH21 ARG A 516 -15.159 -17.346 1.364 1.00 44.24 H new ATOM 0 HH22 ARG A 516 -14.636 -17.541 -0.312 1.00 44.24 H new ATOM 1251 N TYR A 517 -14.307 -11.198 5.692 1.00 13.44 N ATOM 1252 CA TYR A 517 -13.822 -9.980 6.274 1.00 4.21 C ATOM 1253 C TYR A 517 -12.734 -9.426 5.415 1.00 52.54 C ATOM 1254 O TYR A 517 -11.756 -10.114 5.102 1.00 11.01 O ATOM 1255 CB TYR A 517 -13.333 -10.205 7.690 1.00 52.32 C ATOM 1256 CG TYR A 517 -14.427 -10.674 8.623 1.00 63.44 C ATOM 1257 CD1 TYR A 517 -14.689 -12.026 8.816 1.00 53.24 C ATOM 1258 CD2 TYR A 517 -15.225 -9.759 9.276 1.00 64.13 C ATOM 1259 CE1 TYR A 517 -15.719 -12.440 9.638 1.00 33.41 C ATOM 1260 CE2 TYR A 517 -16.246 -10.162 10.103 1.00 74.21 C ATOM 1261 CZ TYR A 517 -16.496 -11.497 10.278 1.00 75.51 C ATOM 1262 OH TYR A 517 -17.537 -11.893 11.094 1.00 64.11 O ATOM 0 H TYR A 517 -13.764 -12.026 5.937 1.00 13.44 H new ATOM 0 HA TYR A 517 -14.640 -9.262 6.327 1.00 4.21 H new ATOM 0 HB2 TYR A 517 -12.531 -10.943 7.679 1.00 52.32 H new ATOM 0 HB3 TYR A 517 -12.908 -9.278 8.074 1.00 52.32 H new ATOM 0 HD1 TYR A 517 -14.078 -12.763 8.316 1.00 53.24 H new ATOM 0 HD2 TYR A 517 -15.044 -8.704 9.135 1.00 64.13 H new ATOM 0 HE1 TYR A 517 -15.914 -13.493 9.778 1.00 33.41 H new ATOM 0 HE2 TYR A 517 -16.850 -9.427 10.614 1.00 74.21 H new ATOM 0 HH TYR A 517 -17.980 -11.102 11.466 1.00 64.11 H new ATOM 1272 N VAL A 518 -12.905 -8.213 5.040 1.00 74.33 N ATOM 1273 CA VAL A 518 -12.026 -7.565 4.151 1.00 60.23 C ATOM 1274 C VAL A 518 -11.192 -6.558 4.902 1.00 33.54 C ATOM 1275 O VAL A 518 -11.705 -5.611 5.519 1.00 53.21 O ATOM 1276 CB VAL A 518 -12.807 -6.866 3.011 1.00 40.34 C ATOM 1277 CG1 VAL A 518 -11.865 -6.151 2.044 1.00 21.11 C ATOM 1278 CG2 VAL A 518 -13.660 -7.871 2.254 1.00 65.31 C ATOM 0 H VAL A 518 -13.682 -7.631 5.353 1.00 74.33 H new ATOM 0 HA VAL A 518 -11.372 -8.314 3.704 1.00 60.23 H new ATOM 0 HB VAL A 518 -13.456 -6.119 3.469 1.00 40.34 H new ATOM 0 HG11 VAL A 518 -12.447 -5.672 1.257 1.00 21.11 H new ATOM 0 HG12 VAL A 518 -11.294 -5.396 2.584 1.00 21.11 H new ATOM 0 HG13 VAL A 518 -11.181 -6.875 1.600 1.00 21.11 H new ATOM 0 HG21 VAL A 518 -14.201 -7.361 1.457 1.00 65.31 H new ATOM 0 HG22 VAL A 518 -13.019 -8.641 1.823 1.00 65.31 H new ATOM 0 HG23 VAL A 518 -14.372 -8.333 2.938 1.00 65.31 H new ATOM 1288 N GLU A 519 -9.934 -6.791 4.896 1.00 51.40 N ATOM 1289 CA GLU A 519 -8.994 -5.906 5.458 1.00 13.44 C ATOM 1290 C GLU A 519 -8.733 -4.826 4.435 1.00 33.44 C ATOM 1291 O GLU A 519 -8.190 -5.099 3.370 1.00 21.04 O ATOM 1292 CB GLU A 519 -7.712 -6.672 5.784 1.00 3.52 C ATOM 1293 CG GLU A 519 -6.560 -5.819 6.279 1.00 21.30 C ATOM 1294 CD GLU A 519 -5.342 -6.648 6.556 1.00 21.22 C ATOM 1295 OE1 GLU A 519 -5.053 -6.919 7.735 1.00 30.10 O ATOM 1296 OE2 GLU A 519 -4.666 -7.088 5.600 1.00 52.14 O ATOM 0 H GLU A 519 -9.520 -7.629 4.487 1.00 51.40 H new ATOM 0 HA GLU A 519 -9.362 -5.462 6.383 1.00 13.44 H new ATOM 0 HB2 GLU A 519 -7.939 -7.423 6.541 1.00 3.52 H new ATOM 0 HB3 GLU A 519 -7.390 -7.207 4.891 1.00 3.52 H new ATOM 0 HG2 GLU A 519 -6.323 -5.059 5.535 1.00 21.30 H new ATOM 0 HG3 GLU A 519 -6.858 -5.294 7.187 1.00 21.30 H new ATOM 1303 N VAL A 520 -9.176 -3.638 4.713 1.00 11.53 N ATOM 1304 CA VAL A 520 -8.931 -2.538 3.834 1.00 71.24 C ATOM 1305 C VAL A 520 -7.825 -1.696 4.456 1.00 32.23 C ATOM 1306 O VAL A 520 -8.023 -1.062 5.495 1.00 24.22 O ATOM 1307 CB VAL A 520 -10.236 -1.716 3.661 1.00 11.50 C ATOM 1308 CG1 VAL A 520 -10.050 -0.524 2.757 1.00 62.24 C ATOM 1309 CG2 VAL A 520 -11.349 -2.611 3.137 1.00 22.00 C ATOM 0 H VAL A 520 -9.713 -3.406 5.548 1.00 11.53 H new ATOM 0 HA VAL A 520 -8.621 -2.877 2.846 1.00 71.24 H new ATOM 0 HB VAL A 520 -10.510 -1.330 4.643 1.00 11.50 H new ATOM 0 HG11 VAL A 520 -10.992 0.017 2.669 1.00 62.24 H new ATOM 0 HG12 VAL A 520 -9.291 0.136 3.177 1.00 62.24 H new ATOM 0 HG13 VAL A 520 -9.732 -0.862 1.770 1.00 62.24 H new ATOM 0 HG21 VAL A 520 -12.261 -2.026 3.019 1.00 22.00 H new ATOM 0 HG22 VAL A 520 -11.057 -3.028 2.173 1.00 22.00 H new ATOM 0 HG23 VAL A 520 -11.527 -3.422 3.844 1.00 22.00 H new ATOM 1319 N PHE A 521 -6.650 -1.765 3.860 1.00 15.33 N ATOM 1320 CA PHE A 521 -5.474 -1.105 4.395 1.00 33.03 C ATOM 1321 C PHE A 521 -5.009 -0.046 3.407 1.00 51.41 C ATOM 1322 O PHE A 521 -5.095 -0.244 2.207 1.00 63.20 O ATOM 1323 CB PHE A 521 -4.376 -2.153 4.617 1.00 50.45 C ATOM 1324 CG PHE A 521 -3.263 -1.723 5.540 1.00 45.42 C ATOM 1325 CD1 PHE A 521 -2.047 -1.280 5.043 1.00 62.31 C ATOM 1326 CD2 PHE A 521 -3.442 -1.775 6.915 1.00 23.11 C ATOM 1327 CE1 PHE A 521 -1.033 -0.897 5.900 1.00 35.02 C ATOM 1328 CE2 PHE A 521 -2.434 -1.393 7.775 1.00 53.12 C ATOM 1329 CZ PHE A 521 -1.227 -0.954 7.269 1.00 24.33 C ATOM 0 H PHE A 521 -6.484 -2.278 2.994 1.00 15.33 H new ATOM 0 HA PHE A 521 -5.704 -0.624 5.346 1.00 33.03 H new ATOM 0 HB2 PHE A 521 -4.833 -3.057 5.020 1.00 50.45 H new ATOM 0 HB3 PHE A 521 -3.945 -2.417 3.651 1.00 50.45 H new ATOM 0 HD1 PHE A 521 -1.891 -1.234 3.975 1.00 62.31 H new ATOM 0 HD2 PHE A 521 -4.383 -2.119 7.317 1.00 23.11 H new ATOM 0 HE1 PHE A 521 -0.090 -0.553 5.502 1.00 35.02 H new ATOM 0 HE2 PHE A 521 -2.589 -1.437 8.843 1.00 53.12 H new ATOM 0 HZ PHE A 521 -0.435 -0.656 7.940 1.00 24.33 H new ATOM 1339 N GLN A 522 -4.517 1.049 3.902 1.00 20.54 N ATOM 1340 CA GLN A 522 -4.123 2.162 3.065 1.00 11.22 C ATOM 1341 C GLN A 522 -2.672 1.955 2.672 1.00 2.23 C ATOM 1342 O GLN A 522 -1.789 1.851 3.519 1.00 10.45 O ATOM 1343 CB GLN A 522 -4.350 3.424 3.871 1.00 55.10 C ATOM 1344 CG GLN A 522 -4.533 4.738 3.140 1.00 22.02 C ATOM 1345 CD GLN A 522 -3.320 5.279 2.489 1.00 40.44 C ATOM 1346 OE1 GLN A 522 -2.554 6.002 3.101 1.00 54.41 O ATOM 1347 NE2 GLN A 522 -3.149 4.989 1.244 1.00 1.43 N ATOM 0 H GLN A 522 -4.374 1.205 4.900 1.00 20.54 H new ATOM 0 HA GLN A 522 -4.701 2.240 2.144 1.00 11.22 H new ATOM 0 HB2 GLN A 522 -5.234 3.265 4.489 1.00 55.10 H new ATOM 0 HB3 GLN A 522 -3.504 3.539 4.548 1.00 55.10 H new ATOM 0 HG2 GLN A 522 -5.304 4.607 2.381 1.00 22.02 H new ATOM 0 HG3 GLN A 522 -4.905 5.479 3.848 1.00 22.02 H new ATOM 0 HE21 GLN A 522 -3.813 4.380 0.766 1.00 1.43 H new ATOM 0 HE22 GLN A 522 -2.350 5.369 0.737 1.00 1.43 H new ATOM 1356 N CYS A 523 -2.442 1.941 1.410 1.00 4.42 N ATOM 1357 CA CYS A 523 -1.167 1.528 0.851 1.00 52.23 C ATOM 1358 C CYS A 523 -0.627 2.488 -0.198 1.00 64.22 C ATOM 1359 O CYS A 523 -1.280 3.469 -0.579 1.00 44.04 O ATOM 1360 CB CYS A 523 -1.298 0.128 0.254 1.00 15.41 C ATOM 1361 SG CYS A 523 -1.594 -1.171 1.466 1.00 63.41 S ATOM 0 H CYS A 523 -3.131 2.216 0.710 1.00 4.42 H new ATOM 0 HA CYS A 523 -0.449 1.529 1.671 1.00 52.23 H new ATOM 0 HB2 CYS A 523 -2.115 0.129 -0.467 1.00 15.41 H new ATOM 0 HB3 CYS A 523 -0.387 -0.106 -0.297 1.00 15.41 H new ATOM 0 HG CYS A 523 -0.507 -1.863 1.634 1.00 63.41 H new ATOM 1367 N SER A 524 0.571 2.214 -0.634 1.00 3.22 N ATOM 1368 CA SER A 524 1.236 3.008 -1.627 1.00 64.10 C ATOM 1369 C SER A 524 1.222 2.337 -2.985 1.00 72.53 C ATOM 1370 O SER A 524 1.158 1.110 -3.091 1.00 55.33 O ATOM 1371 CB SER A 524 2.676 3.306 -1.183 1.00 34.51 C ATOM 1372 OG SER A 524 3.394 4.037 -2.170 1.00 12.10 O ATOM 0 H SER A 524 1.120 1.421 -0.304 1.00 3.22 H new ATOM 0 HA SER A 524 0.692 3.947 -1.726 1.00 64.10 H new ATOM 0 HB2 SER A 524 2.659 3.873 -0.252 1.00 34.51 H new ATOM 0 HB3 SER A 524 3.194 2.369 -0.977 1.00 34.51 H new ATOM 0 HG SER A 524 4.305 4.209 -1.851 1.00 12.10 H new ATOM 1378 N ALA A 525 1.306 3.156 -4.021 1.00 15.13 N ATOM 1379 CA ALA A 525 1.392 2.685 -5.382 1.00 72.41 C ATOM 1380 C ALA A 525 2.748 2.018 -5.616 1.00 32.15 C ATOM 1381 O ALA A 525 2.927 1.255 -6.575 1.00 64.41 O ATOM 1382 CB ALA A 525 1.202 3.845 -6.354 1.00 25.20 C ATOM 0 H ALA A 525 1.316 4.172 -3.934 1.00 15.13 H new ATOM 0 HA ALA A 525 0.602 1.954 -5.554 1.00 72.41 H new ATOM 0 HB1 ALA A 525 1.269 3.477 -7.378 1.00 25.20 H new ATOM 0 HB2 ALA A 525 0.223 4.297 -6.194 1.00 25.20 H new ATOM 0 HB3 ALA A 525 1.978 4.592 -6.186 1.00 25.20 H new ATOM 1388 N GLU A 526 3.693 2.294 -4.721 1.00 72.31 N ATOM 1389 CA GLU A 526 5.020 1.742 -4.813 1.00 32.53 C ATOM 1390 C GLU A 526 4.999 0.274 -4.386 1.00 42.02 C ATOM 1391 O GLU A 526 5.552 -0.594 -5.072 1.00 3.00 O ATOM 1392 CB GLU A 526 5.973 2.534 -3.938 1.00 52.34 C ATOM 1393 CG GLU A 526 7.433 2.258 -4.207 1.00 54.03 C ATOM 1394 CD GLU A 526 8.322 3.019 -3.278 1.00 41.30 C ATOM 1395 OE1 GLU A 526 8.489 4.246 -3.463 1.00 40.22 O ATOM 1396 OE2 GLU A 526 8.850 2.416 -2.329 1.00 11.43 O ATOM 0 H GLU A 526 3.550 2.906 -3.918 1.00 72.31 H new ATOM 0 HA GLU A 526 5.364 1.803 -5.845 1.00 32.53 H new ATOM 0 HB2 GLU A 526 5.783 3.597 -4.083 1.00 52.34 H new ATOM 0 HB3 GLU A 526 5.759 2.311 -2.893 1.00 52.34 H new ATOM 0 HG2 GLU A 526 7.626 1.190 -4.102 1.00 54.03 H new ATOM 0 HG3 GLU A 526 7.670 2.525 -5.237 1.00 54.03 H new ATOM 1403 N GLU A 527 4.330 -0.010 -3.260 1.00 22.43 N ATOM 1404 CA GLU A 527 4.211 -1.377 -2.772 1.00 41.03 C ATOM 1405 C GLU A 527 3.264 -2.146 -3.686 1.00 24.44 C ATOM 1406 O GLU A 527 3.381 -3.346 -3.848 1.00 74.43 O ATOM 1407 CB GLU A 527 3.728 -1.426 -1.310 1.00 11.41 C ATOM 1408 CG GLU A 527 2.300 -0.973 -1.109 1.00 61.23 C ATOM 1409 CD GLU A 527 1.892 -0.933 0.325 1.00 45.04 C ATOM 1410 OE1 GLU A 527 1.914 0.175 0.913 1.00 35.34 O ATOM 1411 OE2 GLU A 527 1.509 -1.981 0.890 1.00 21.23 O ATOM 0 H GLU A 527 3.868 0.689 -2.678 1.00 22.43 H new ATOM 0 HA GLU A 527 5.197 -1.842 -2.789 1.00 41.03 H new ATOM 0 HB2 GLU A 527 3.828 -2.447 -0.941 1.00 11.41 H new ATOM 0 HB3 GLU A 527 4.383 -0.802 -0.702 1.00 11.41 H new ATOM 0 HG2 GLU A 527 2.176 0.019 -1.543 1.00 61.23 H new ATOM 0 HG3 GLU A 527 1.633 -1.644 -1.651 1.00 61.23 H new ATOM 1418 N MET A 528 2.334 -1.415 -4.286 1.00 14.13 N ATOM 1419 CA MET A 528 1.418 -1.956 -5.276 1.00 63.21 C ATOM 1420 C MET A 528 2.211 -2.515 -6.434 1.00 24.20 C ATOM 1421 O MET A 528 2.052 -3.674 -6.805 1.00 53.33 O ATOM 1422 CB MET A 528 0.484 -0.850 -5.766 1.00 75.24 C ATOM 1423 CG MET A 528 -0.435 -1.235 -6.908 1.00 43.40 C ATOM 1424 SD MET A 528 -1.418 0.163 -7.469 1.00 75.02 S ATOM 1425 CE MET A 528 -2.285 -0.578 -8.833 1.00 33.12 C ATOM 0 H MET A 528 2.195 -0.422 -4.096 1.00 14.13 H new ATOM 0 HA MET A 528 0.821 -2.752 -4.831 1.00 63.21 H new ATOM 0 HB2 MET A 528 -0.127 -0.515 -4.927 1.00 75.24 H new ATOM 0 HB3 MET A 528 1.089 0.001 -6.080 1.00 75.24 H new ATOM 0 HG2 MET A 528 0.157 -1.620 -7.738 1.00 43.40 H new ATOM 0 HG3 MET A 528 -1.096 -2.040 -6.588 1.00 43.40 H new ATOM 0 HE1 MET A 528 -3.018 0.128 -9.225 1.00 33.12 H new ATOM 0 HE2 MET A 528 -1.575 -0.837 -9.618 1.00 33.12 H new ATOM 0 HE3 MET A 528 -2.795 -1.479 -8.493 1.00 33.12 H new ATOM 1435 N ASN A 529 3.105 -1.696 -6.957 1.00 64.21 N ATOM 1436 CA ASN A 529 3.959 -2.076 -8.069 1.00 13.33 C ATOM 1437 C ASN A 529 4.880 -3.216 -7.657 1.00 22.34 C ATOM 1438 O ASN A 529 5.136 -4.123 -8.429 1.00 65.13 O ATOM 1439 CB ASN A 529 4.748 -0.861 -8.573 1.00 32.25 C ATOM 1440 CG ASN A 529 5.661 -1.168 -9.746 1.00 44.11 C ATOM 1441 OD1 ASN A 529 6.835 -1.484 -9.567 1.00 54.31 O ATOM 1442 ND2 ASN A 529 5.138 -1.064 -10.945 1.00 70.31 N ATOM 0 H ASN A 529 3.260 -0.745 -6.622 1.00 64.21 H new ATOM 0 HA ASN A 529 3.340 -2.431 -8.893 1.00 13.33 H new ATOM 0 HB2 ASN A 529 4.047 -0.080 -8.865 1.00 32.25 H new ATOM 0 HB3 ASN A 529 5.346 -0.462 -7.754 1.00 32.25 H new ATOM 0 HD21 ASN A 529 5.711 -1.248 -11.769 1.00 70.31 H new ATOM 0 HD22 ASN A 529 4.159 -0.799 -11.053 1.00 70.31 H new ATOM 1449 N PHE A 530 5.315 -3.175 -6.407 1.00 13.52 N ATOM 1450 CA PHE A 530 6.130 -4.228 -5.803 1.00 2.21 C ATOM 1451 C PHE A 530 5.392 -5.568 -5.841 1.00 51.34 C ATOM 1452 O PHE A 530 5.949 -6.583 -6.268 1.00 43.15 O ATOM 1453 CB PHE A 530 6.491 -3.831 -4.354 1.00 1.43 C ATOM 1454 CG PHE A 530 7.249 -4.855 -3.544 1.00 1.44 C ATOM 1455 CD1 PHE A 530 8.628 -4.909 -3.578 1.00 44.12 C ATOM 1456 CD2 PHE A 530 6.569 -5.744 -2.723 1.00 71.43 C ATOM 1457 CE1 PHE A 530 9.315 -5.829 -2.810 1.00 55.32 C ATOM 1458 CE2 PHE A 530 7.248 -6.667 -1.961 1.00 51.24 C ATOM 1459 CZ PHE A 530 8.625 -6.711 -2.002 1.00 11.40 C ATOM 0 H PHE A 530 5.112 -2.402 -5.773 1.00 13.52 H new ATOM 0 HA PHE A 530 7.051 -4.344 -6.374 1.00 2.21 H new ATOM 0 HB2 PHE A 530 7.083 -2.917 -4.388 1.00 1.43 H new ATOM 0 HB3 PHE A 530 5.568 -3.593 -3.825 1.00 1.43 H new ATOM 0 HD1 PHE A 530 9.175 -4.226 -4.211 1.00 44.12 H new ATOM 0 HD2 PHE A 530 5.490 -5.711 -2.682 1.00 71.43 H new ATOM 0 HE1 PHE A 530 10.394 -5.859 -2.842 1.00 55.32 H new ATOM 0 HE2 PHE A 530 6.703 -7.355 -1.332 1.00 51.24 H new ATOM 0 HZ PHE A 530 9.162 -7.433 -1.404 1.00 11.40 H new ATOM 1469 N VAL A 531 4.136 -5.560 -5.432 1.00 5.14 N ATOM 1470 CA VAL A 531 3.331 -6.771 -5.421 1.00 71.41 C ATOM 1471 C VAL A 531 3.040 -7.246 -6.847 1.00 21.34 C ATOM 1472 O VAL A 531 3.033 -8.456 -7.120 1.00 62.10 O ATOM 1473 CB VAL A 531 2.016 -6.596 -4.597 1.00 30.44 C ATOM 1474 CG1 VAL A 531 1.135 -7.842 -4.671 1.00 4.33 C ATOM 1475 CG2 VAL A 531 2.349 -6.298 -3.141 1.00 0.04 C ATOM 0 H VAL A 531 3.649 -4.727 -5.102 1.00 5.14 H new ATOM 0 HA VAL A 531 3.914 -7.544 -4.920 1.00 71.41 H new ATOM 0 HB VAL A 531 1.464 -5.762 -5.030 1.00 30.44 H new ATOM 0 HG11 VAL A 531 0.229 -7.683 -4.086 1.00 4.33 H new ATOM 0 HG12 VAL A 531 0.866 -8.037 -5.709 1.00 4.33 H new ATOM 0 HG13 VAL A 531 1.680 -8.697 -4.271 1.00 4.33 H new ATOM 0 HG21 VAL A 531 1.426 -6.177 -2.574 1.00 0.04 H new ATOM 0 HG22 VAL A 531 2.926 -7.123 -2.724 1.00 0.04 H new ATOM 0 HG23 VAL A 531 2.934 -5.380 -3.082 1.00 0.04 H new ATOM 1485 N LEU A 532 2.852 -6.300 -7.756 1.00 62.51 N ATOM 1486 CA LEU A 532 2.607 -6.626 -9.159 1.00 2.55 C ATOM 1487 C LEU A 532 3.866 -7.238 -9.783 1.00 11.33 C ATOM 1488 O LEU A 532 3.794 -8.194 -10.556 1.00 65.33 O ATOM 1489 CB LEU A 532 2.173 -5.386 -9.958 1.00 73.43 C ATOM 1490 CG LEU A 532 0.925 -4.638 -9.464 1.00 31.43 C ATOM 1491 CD1 LEU A 532 0.606 -3.465 -10.377 1.00 61.24 C ATOM 1492 CD2 LEU A 532 -0.276 -5.570 -9.347 1.00 30.05 C ATOM 0 H LEU A 532 2.864 -5.301 -7.550 1.00 62.51 H new ATOM 0 HA LEU A 532 1.794 -7.351 -9.198 1.00 2.55 H new ATOM 0 HB2 LEU A 532 3.006 -4.683 -9.971 1.00 73.43 H new ATOM 0 HB3 LEU A 532 1.998 -5.692 -10.989 1.00 73.43 H new ATOM 0 HG LEU A 532 1.143 -4.253 -8.468 1.00 31.43 H new ATOM 0 HD11 LEU A 532 -0.281 -2.949 -10.010 1.00 61.24 H new ATOM 0 HD12 LEU A 532 1.449 -2.774 -10.390 1.00 61.24 H new ATOM 0 HD13 LEU A 532 0.421 -3.830 -11.387 1.00 61.24 H new ATOM 0 HD21 LEU A 532 -1.140 -5.007 -8.995 1.00 30.05 H new ATOM 0 HD22 LEU A 532 -0.497 -6.003 -10.323 1.00 30.05 H new ATOM 0 HD23 LEU A 532 -0.050 -6.368 -8.639 1.00 30.05 H new