USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=17 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 446 CYS SG : rot 7:sc= 0.378 USER MOD Set 1.2: A 494 GLN : amide:sc= 0 X(o=-0.37,f=-0.46) USER MOD Set 1.3: A 528 MET CE :methyl 177:sc= -0.75 (180deg=-0.461) USER MOD Single : A 454 TYR OH : rot 180:sc= 0 USER MOD Single : A 457 THR OG1 : rot -74:sc= 1.16 USER MOD Single : A 470 THR OG1 : rot 180:sc= 0 USER MOD Single : A 474 THR OG1 : rot 180:sc= 0 USER MOD Single : A 475 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 478 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 479 MET CE :methyl -161:sc= -0.25 (180deg=-0.925) USER MOD Single : A 482 ASN : amide:sc= 0.847 K(o=0.85,f=-6.4!) USER MOD Single : A 483 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 484 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.38) USER MOD Single : A 488 SER OG : rot 180:sc=-0.00434 USER MOD Single : A 495 MET CE :methyl 167:sc= -2.03 (180deg=-2.54) USER MOD Single : A 496 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 497 SER OG : rot 180:sc= 0.0469 USER MOD Single : A 503 MET CE :methyl 163:sc= -0.0887 (180deg=-0.511) USER MOD Single : A 506 GLN : amide:sc= -1.61 K(o=-1.6,f=-5!) USER MOD Single : A 507 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 508 CYS SG : rot -127:sc= 0.349 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= -1.58 K(o=-1.6,f=-0.14) USER MOD Single : A 513 MET CE :methyl 150:sc= -0.409 (180deg=-1.19) USER MOD Single : A 514 LYS NZ :NH3+ -160:sc= 1.2 (180deg=1.16) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 522 GLN : amide:sc= -0.482 K(o=-0.48,f=-3.4!) USER MOD Single : A 523 CYS SG : rot 161:sc= 0.0846 USER MOD Single : A 524 SER OG : rot 92:sc= 0.357 USER MOD Single : A 529 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 443 2.618 9.218 -3.005 1.00 40.42 N ATOM 77 CA VAL A 443 1.350 9.415 -2.343 1.00 63.34 C ATOM 78 C VAL A 443 0.744 8.047 -2.029 1.00 12.42 C ATOM 79 O VAL A 443 0.902 7.090 -2.810 1.00 34.01 O ATOM 80 CB VAL A 443 0.379 10.249 -3.254 1.00 60.50 C ATOM 81 CG1 VAL A 443 -0.946 10.525 -2.573 1.00 61.41 C ATOM 82 CG2 VAL A 443 1.026 11.561 -3.696 1.00 3.43 C ATOM 0 HA VAL A 443 1.501 9.971 -1.418 1.00 63.34 H new ATOM 0 HB VAL A 443 0.180 9.641 -4.137 1.00 60.50 H new ATOM 0 HG11 VAL A 443 -1.584 11.104 -3.240 1.00 61.41 H new ATOM 0 HG12 VAL A 443 -1.435 9.581 -2.332 1.00 61.41 H new ATOM 0 HG13 VAL A 443 -0.773 11.089 -1.656 1.00 61.41 H new ATOM 0 HG21 VAL A 443 0.330 12.116 -4.325 1.00 3.43 H new ATOM 0 HG22 VAL A 443 1.276 12.157 -2.818 1.00 3.43 H new ATOM 0 HG23 VAL A 443 1.934 11.347 -4.260 1.00 3.43 H new ATOM 92 N ARG A 444 0.096 7.913 -0.887 1.00 2.34 N ATOM 93 CA ARG A 444 -0.527 6.651 -0.563 1.00 2.52 C ATOM 94 C ARG A 444 -1.979 6.679 -1.004 1.00 12.20 C ATOM 95 O ARG A 444 -2.897 6.696 -0.195 1.00 73.10 O ATOM 96 CB ARG A 444 -0.409 6.274 0.923 1.00 23.24 C ATOM 97 CG ARG A 444 0.971 6.476 1.524 1.00 22.32 C ATOM 98 CD ARG A 444 1.116 5.759 2.857 1.00 54.54 C ATOM 99 NE ARG A 444 1.318 4.312 2.677 1.00 14.24 N ATOM 100 CZ ARG A 444 0.779 3.336 3.423 1.00 55.33 C ATOM 101 NH1 ARG A 444 -0.131 3.613 4.356 1.00 4.43 N ATOM 102 NH2 ARG A 444 1.140 2.085 3.209 1.00 2.12 N ATOM 0 H ARG A 444 -0.010 8.646 -0.185 1.00 2.34 H new ATOM 0 HA ARG A 444 0.012 5.874 -1.105 1.00 2.52 H new ATOM 0 HB2 ARG A 444 -1.127 6.865 1.491 1.00 23.24 H new ATOM 0 HB3 ARG A 444 -0.692 5.228 1.042 1.00 23.24 H new ATOM 0 HG2 ARG A 444 1.727 6.109 0.830 1.00 22.32 H new ATOM 0 HG3 ARG A 444 1.155 7.541 1.662 1.00 22.32 H new ATOM 0 HD2 ARG A 444 1.959 6.179 3.406 1.00 54.54 H new ATOM 0 HD3 ARG A 444 0.225 5.930 3.461 1.00 54.54 H new ATOM 0 HE ARG A 444 1.927 4.024 1.911 1.00 14.24 H new ATOM 0 HH11 ARG A 444 -0.426 4.577 4.510 1.00 4.43 H new ATOM 0 HH12 ARG A 444 -0.533 2.861 4.916 1.00 4.43 H new ATOM 0 HH21 ARG A 444 1.822 1.868 2.482 1.00 2.12 H new ATOM 0 HH22 ARG A 444 0.737 1.335 3.770 1.00 2.12 H new ATOM 116 N ASP A 445 -2.175 6.711 -2.288 1.00 33.20 N ATOM 117 CA ASP A 445 -3.502 6.837 -2.862 1.00 45.41 C ATOM 118 C ASP A 445 -4.028 5.502 -3.295 1.00 22.13 C ATOM 119 O ASP A 445 -5.060 5.402 -3.957 1.00 42.42 O ATOM 120 CB ASP A 445 -3.525 7.844 -4.035 1.00 11.13 C ATOM 121 CG ASP A 445 -2.517 7.563 -5.148 1.00 54.23 C ATOM 122 OD1 ASP A 445 -1.594 8.383 -5.336 1.00 73.10 O ATOM 123 OD2 ASP A 445 -2.638 6.549 -5.865 1.00 51.01 O ATOM 0 H ASP A 445 -1.425 6.651 -2.977 1.00 33.20 H new ATOM 0 HA ASP A 445 -4.157 7.227 -2.083 1.00 45.41 H new ATOM 0 HB2 ASP A 445 -4.526 7.854 -4.466 1.00 11.13 H new ATOM 0 HB3 ASP A 445 -3.338 8.843 -3.640 1.00 11.13 H new ATOM 128 N CYS A 446 -3.363 4.474 -2.870 1.00 62.41 N ATOM 129 CA CYS A 446 -3.742 3.166 -3.245 1.00 63.31 C ATOM 130 C CYS A 446 -4.143 2.403 -2.001 1.00 41.43 C ATOM 131 O CYS A 446 -3.662 2.672 -0.903 1.00 43.23 O ATOM 132 CB CYS A 446 -2.587 2.478 -3.947 1.00 32.00 C ATOM 133 SG CYS A 446 -1.828 3.464 -5.275 1.00 22.22 S ATOM 0 H CYS A 446 -2.549 4.526 -2.258 1.00 62.41 H new ATOM 0 HA CYS A 446 -4.586 3.201 -3.934 1.00 63.31 H new ATOM 0 HB2 CYS A 446 -1.823 2.232 -3.210 1.00 32.00 H new ATOM 0 HB3 CYS A 446 -2.940 1.536 -4.366 1.00 32.00 H new ATOM 0 HG CYS A 446 -2.345 4.657 -5.279 1.00 22.22 H new ATOM 139 N ILE A 447 -5.030 1.504 -2.157 1.00 25.45 N ATOM 140 CA ILE A 447 -5.515 0.695 -1.079 1.00 35.40 C ATOM 141 C ILE A 447 -5.370 -0.747 -1.507 1.00 45.24 C ATOM 142 O ILE A 447 -5.419 -1.027 -2.692 1.00 15.02 O ATOM 143 CB ILE A 447 -7.019 0.947 -0.834 1.00 34.41 C ATOM 144 CG1 ILE A 447 -7.407 2.367 -1.218 1.00 53.02 C ATOM 145 CG2 ILE A 447 -7.325 0.733 0.627 1.00 20.20 C ATOM 146 CD1 ILE A 447 -8.834 2.717 -0.870 1.00 50.44 C ATOM 0 H ILE A 447 -5.461 1.292 -3.057 1.00 25.45 H new ATOM 0 HA ILE A 447 -4.957 0.929 -0.172 1.00 35.40 H new ATOM 0 HB ILE A 447 -7.589 0.252 -1.451 1.00 34.41 H new ATOM 0 HG12 ILE A 447 -6.737 3.066 -0.717 1.00 53.02 H new ATOM 0 HG13 ILE A 447 -7.260 2.498 -2.290 1.00 53.02 H new ATOM 0 HG21 ILE A 447 -8.386 0.910 0.806 1.00 20.20 H new ATOM 0 HG22 ILE A 447 -7.076 -0.291 0.905 1.00 20.20 H new ATOM 0 HG23 ILE A 447 -6.735 1.426 1.227 1.00 20.20 H new ATOM 0 HD11 ILE A 447 -9.041 3.744 -1.172 1.00 50.44 H new ATOM 0 HD12 ILE A 447 -9.512 2.042 -1.392 1.00 50.44 H new ATOM 0 HD13 ILE A 447 -8.981 2.619 0.206 1.00 50.44 H new ATOM 158 N ARG A 448 -5.187 -1.636 -0.586 1.00 14.05 N ATOM 159 CA ARG A 448 -5.095 -3.028 -0.911 1.00 31.02 C ATOM 160 C ARG A 448 -6.123 -3.766 -0.081 1.00 71.20 C ATOM 161 O ARG A 448 -6.161 -3.624 1.148 1.00 73.11 O ATOM 162 CB ARG A 448 -3.706 -3.582 -0.621 1.00 31.14 C ATOM 163 CG ARG A 448 -3.389 -4.846 -1.409 1.00 44.14 C ATOM 164 CD ARG A 448 -2.112 -5.504 -0.929 1.00 23.53 C ATOM 165 NE ARG A 448 -2.340 -6.266 0.303 1.00 34.33 N ATOM 166 CZ ARG A 448 -1.676 -6.110 1.463 1.00 42.31 C ATOM 167 NH1 ARG A 448 -0.722 -5.185 1.582 1.00 73.10 N ATOM 168 NH2 ARG A 448 -1.968 -6.891 2.502 1.00 54.31 N ATOM 0 H ARG A 448 -5.097 -1.423 0.408 1.00 14.05 H new ATOM 0 HA ARG A 448 -5.281 -3.161 -1.977 1.00 31.02 H new ATOM 0 HB2 ARG A 448 -2.962 -2.820 -0.854 1.00 31.14 H new ATOM 0 HB3 ARG A 448 -3.622 -3.795 0.445 1.00 31.14 H new ATOM 0 HG2 ARG A 448 -4.217 -5.549 -1.316 1.00 44.14 H new ATOM 0 HG3 ARG A 448 -3.296 -4.601 -2.467 1.00 44.14 H new ATOM 0 HD2 ARG A 448 -1.728 -6.167 -1.704 1.00 23.53 H new ATOM 0 HD3 ARG A 448 -1.351 -4.743 -0.754 1.00 23.53 H new ATOM 0 HE ARG A 448 -3.068 -6.980 0.278 1.00 34.33 H new ATOM 0 HH11 ARG A 448 -0.489 -4.587 0.789 1.00 73.10 H new ATOM 0 HH12 ARG A 448 -0.225 -5.076 2.466 1.00 73.10 H new ATOM 0 HH21 ARG A 448 -2.692 -7.604 2.416 1.00 54.31 H new ATOM 0 HH22 ARG A 448 -1.467 -6.776 3.383 1.00 54.31 H new ATOM 182 N LEU A 449 -6.962 -4.495 -0.735 1.00 73.14 N ATOM 183 CA LEU A 449 -7.993 -5.256 -0.090 1.00 23.35 C ATOM 184 C LEU A 449 -7.519 -6.678 -0.028 1.00 11.52 C ATOM 185 O LEU A 449 -6.890 -7.144 -0.966 1.00 11.54 O ATOM 186 CB LEU A 449 -9.246 -5.275 -0.943 1.00 13.21 C ATOM 187 CG LEU A 449 -9.681 -3.968 -1.606 1.00 22.21 C ATOM 188 CD1 LEU A 449 -10.880 -4.221 -2.494 1.00 50.33 C ATOM 189 CD2 LEU A 449 -10.011 -2.918 -0.571 1.00 72.14 C ATOM 0 H LEU A 449 -6.956 -4.585 -1.751 1.00 73.14 H new ATOM 0 HA LEU A 449 -8.203 -4.823 0.888 1.00 23.35 H new ATOM 0 HB2 LEU A 449 -9.104 -6.017 -1.729 1.00 13.21 H new ATOM 0 HB3 LEU A 449 -10.069 -5.624 -0.320 1.00 13.21 H new ATOM 0 HG LEU A 449 -8.855 -3.596 -2.211 1.00 22.21 H new ATOM 0 HD11 LEU A 449 -11.187 -3.287 -2.965 1.00 50.33 H new ATOM 0 HD12 LEU A 449 -10.616 -4.946 -3.264 1.00 50.33 H new ATOM 0 HD13 LEU A 449 -11.701 -4.612 -1.894 1.00 50.33 H new ATOM 0 HD21 LEU A 449 -10.317 -1.999 -1.070 1.00 72.14 H new ATOM 0 HD22 LEU A 449 -10.823 -3.275 0.063 1.00 72.14 H new ATOM 0 HD23 LEU A 449 -9.131 -2.722 0.042 1.00 72.14 H new ATOM 201 N ARG A 450 -7.808 -7.355 1.024 1.00 33.21 N ATOM 202 CA ARG A 450 -7.457 -8.740 1.123 1.00 43.01 C ATOM 203 C ARG A 450 -8.517 -9.505 1.872 1.00 33.03 C ATOM 204 O ARG A 450 -8.912 -9.150 2.974 1.00 10.31 O ATOM 205 CB ARG A 450 -6.087 -8.924 1.744 1.00 74.41 C ATOM 206 CG ARG A 450 -5.638 -10.366 1.822 1.00 51.30 C ATOM 207 CD ARG A 450 -4.213 -10.465 2.301 1.00 52.24 C ATOM 208 NE ARG A 450 -3.253 -9.918 1.330 1.00 54.43 N ATOM 209 CZ ARG A 450 -1.935 -10.106 1.383 1.00 31.24 C ATOM 210 NH1 ARG A 450 -1.396 -10.705 2.443 1.00 44.15 N ATOM 211 NH2 ARG A 450 -1.158 -9.676 0.381 1.00 34.40 N ATOM 0 H ARG A 450 -8.290 -6.976 1.839 1.00 33.21 H new ATOM 0 HA ARG A 450 -7.403 -9.147 0.113 1.00 43.01 H new ATOM 0 HB2 ARG A 450 -5.358 -8.357 1.165 1.00 74.41 H new ATOM 0 HB3 ARG A 450 -6.095 -8.501 2.749 1.00 74.41 H new ATOM 0 HG2 ARG A 450 -6.291 -10.918 2.498 1.00 51.30 H new ATOM 0 HG3 ARG A 450 -5.728 -10.832 0.841 1.00 51.30 H new ATOM 0 HD2 ARG A 450 -4.113 -9.931 3.246 1.00 52.24 H new ATOM 0 HD3 ARG A 450 -3.971 -11.509 2.498 1.00 52.24 H new ATOM 0 HE ARG A 450 -3.622 -9.356 0.563 1.00 54.43 H new ATOM 0 HH11 ARG A 450 -1.992 -11.018 3.210 1.00 44.15 H new ATOM 0 HH12 ARG A 450 -0.388 -10.851 2.488 1.00 44.15 H new ATOM 0 HH21 ARG A 450 -1.575 -9.205 -0.422 1.00 34.40 H new ATOM 0 HH22 ARG A 450 -0.149 -9.819 0.421 1.00 34.40 H new ATOM 225 N GLY A 451 -8.967 -10.534 1.261 1.00 22.14 N ATOM 226 CA GLY A 451 -10.006 -11.341 1.806 1.00 4.02 C ATOM 227 C GLY A 451 -11.287 -11.151 1.040 1.00 3.21 C ATOM 228 O GLY A 451 -12.364 -11.227 1.605 1.00 61.43 O ATOM 0 H GLY A 451 -8.623 -10.850 0.354 1.00 22.14 H new ATOM 0 HA2 GLY A 451 -9.711 -12.390 1.776 1.00 4.02 H new ATOM 0 HA3 GLY A 451 -10.162 -11.083 2.854 1.00 4.02 H new ATOM 232 N LEU A 452 -11.161 -10.903 -0.255 1.00 44.34 N ATOM 233 CA LEU A 452 -12.312 -10.684 -1.133 1.00 21.54 C ATOM 234 C LEU A 452 -13.252 -11.893 -1.162 1.00 52.51 C ATOM 235 O LEU A 452 -12.795 -13.046 -1.129 1.00 1.44 O ATOM 236 CB LEU A 452 -11.861 -10.355 -2.557 1.00 30.33 C ATOM 237 CG LEU A 452 -11.058 -9.070 -2.737 1.00 35.10 C ATOM 238 CD1 LEU A 452 -10.655 -8.910 -4.188 1.00 10.13 C ATOM 239 CD2 LEU A 452 -11.858 -7.862 -2.271 1.00 73.14 C ATOM 0 H LEU A 452 -10.261 -10.847 -0.731 1.00 44.34 H new ATOM 0 HA LEU A 452 -12.860 -9.836 -0.722 1.00 21.54 H new ATOM 0 HB2 LEU A 452 -11.261 -11.187 -2.926 1.00 30.33 H new ATOM 0 HB3 LEU A 452 -12.746 -10.296 -3.190 1.00 30.33 H new ATOM 0 HG LEU A 452 -10.158 -9.136 -2.125 1.00 35.10 H new ATOM 0 HD11 LEU A 452 -10.082 -7.990 -4.307 1.00 10.13 H new ATOM 0 HD12 LEU A 452 -10.044 -9.760 -4.492 1.00 10.13 H new ATOM 0 HD13 LEU A 452 -11.548 -8.864 -4.811 1.00 10.13 H new ATOM 0 HD21 LEU A 452 -11.265 -6.958 -2.409 1.00 73.14 H new ATOM 0 HD22 LEU A 452 -12.776 -7.787 -2.854 1.00 73.14 H new ATOM 0 HD23 LEU A 452 -12.107 -7.975 -1.216 1.00 73.14 H new ATOM 251 N PRO A 453 -14.577 -11.637 -1.188 1.00 24.35 N ATOM 252 CA PRO A 453 -15.586 -12.681 -1.242 1.00 13.20 C ATOM 253 C PRO A 453 -15.500 -13.552 -2.475 1.00 24.44 C ATOM 254 O PRO A 453 -14.790 -13.259 -3.455 1.00 5.13 O ATOM 255 CB PRO A 453 -16.912 -11.937 -1.289 1.00 63.54 C ATOM 256 CG PRO A 453 -16.631 -10.568 -0.817 1.00 43.31 C ATOM 257 CD PRO A 453 -15.190 -10.299 -1.116 1.00 43.32 C ATOM 0 HA PRO A 453 -15.459 -13.347 -0.389 1.00 13.20 H new ATOM 0 HB2 PRO A 453 -17.316 -11.925 -2.301 1.00 63.54 H new ATOM 0 HB3 PRO A 453 -17.654 -12.423 -0.655 1.00 63.54 H new ATOM 0 HG2 PRO A 453 -17.273 -9.845 -1.321 1.00 43.31 H new ATOM 0 HG3 PRO A 453 -16.828 -10.479 0.251 1.00 43.31 H new ATOM 0 HD2 PRO A 453 -15.073 -9.757 -2.054 1.00 43.32 H new ATOM 0 HD3 PRO A 453 -14.729 -9.692 -0.337 1.00 43.32 H new ATOM 265 N TYR A 454 -16.262 -14.583 -2.429 1.00 55.44 N ATOM 266 CA TYR A 454 -16.378 -15.529 -3.459 1.00 64.34 C ATOM 267 C TYR A 454 -17.252 -14.984 -4.550 1.00 70.34 C ATOM 268 O TYR A 454 -18.480 -14.977 -4.446 1.00 20.45 O ATOM 269 CB TYR A 454 -16.908 -16.862 -2.933 1.00 64.11 C ATOM 270 CG TYR A 454 -17.056 -17.935 -4.000 1.00 64.21 C ATOM 271 CD1 TYR A 454 -15.945 -18.598 -4.505 1.00 41.21 C ATOM 272 CD2 TYR A 454 -18.307 -18.279 -4.501 1.00 42.44 C ATOM 273 CE1 TYR A 454 -16.077 -19.569 -5.479 1.00 72.33 C ATOM 274 CE2 TYR A 454 -18.444 -19.247 -5.471 1.00 60.34 C ATOM 275 CZ TYR A 454 -17.328 -19.890 -5.958 1.00 62.13 C ATOM 276 OH TYR A 454 -17.465 -20.858 -6.935 1.00 32.30 O ATOM 0 H TYR A 454 -16.851 -14.794 -1.624 1.00 55.44 H new ATOM 0 HA TYR A 454 -15.387 -15.722 -3.870 1.00 64.34 H new ATOM 0 HB2 TYR A 454 -16.236 -17.227 -2.156 1.00 64.11 H new ATOM 0 HB3 TYR A 454 -17.877 -16.696 -2.463 1.00 64.11 H new ATOM 0 HD1 TYR A 454 -14.963 -18.351 -4.131 1.00 41.21 H new ATOM 0 HD2 TYR A 454 -19.186 -17.778 -4.123 1.00 42.44 H new ATOM 0 HE1 TYR A 454 -15.203 -20.074 -5.863 1.00 72.33 H new ATOM 0 HE2 TYR A 454 -19.424 -19.501 -5.848 1.00 60.34 H new ATOM 0 HH TYR A 454 -18.413 -20.964 -7.160 1.00 32.30 H new ATOM 286 N ALA A 455 -16.586 -14.394 -5.481 1.00 44.40 N ATOM 287 CA ALA A 455 -17.145 -13.928 -6.761 1.00 10.43 C ATOM 288 C ALA A 455 -17.806 -12.572 -6.650 1.00 42.30 C ATOM 289 O ALA A 455 -18.734 -12.250 -7.414 1.00 70.03 O ATOM 290 CB ALA A 455 -18.068 -14.973 -7.408 1.00 42.44 C ATOM 0 H ALA A 455 -15.588 -14.201 -5.394 1.00 44.40 H new ATOM 0 HA ALA A 455 -16.297 -13.799 -7.434 1.00 10.43 H new ATOM 0 HB1 ALA A 455 -18.455 -14.583 -8.349 1.00 42.44 H new ATOM 0 HB2 ALA A 455 -17.506 -15.887 -7.598 1.00 42.44 H new ATOM 0 HB3 ALA A 455 -18.898 -15.191 -6.736 1.00 42.44 H new ATOM 296 N ALA A 456 -17.313 -11.774 -5.717 1.00 65.53 N ATOM 297 CA ALA A 456 -17.749 -10.387 -5.575 1.00 50.11 C ATOM 298 C ALA A 456 -17.415 -9.638 -6.855 1.00 20.30 C ATOM 299 O ALA A 456 -16.290 -9.756 -7.378 1.00 4.55 O ATOM 300 CB ALA A 456 -17.068 -9.724 -4.393 1.00 42.42 C ATOM 0 H ALA A 456 -16.606 -12.062 -5.041 1.00 65.53 H new ATOM 0 HA ALA A 456 -18.824 -10.365 -5.397 1.00 50.11 H new ATOM 0 HB1 ALA A 456 -17.409 -8.692 -4.308 1.00 42.42 H new ATOM 0 HB2 ALA A 456 -17.317 -10.264 -3.480 1.00 42.42 H new ATOM 0 HB3 ALA A 456 -15.988 -9.738 -4.540 1.00 42.42 H new ATOM 306 N THR A 457 -18.356 -8.899 -7.364 1.00 4.31 N ATOM 307 CA THR A 457 -18.183 -8.263 -8.620 1.00 74.41 C ATOM 308 C THR A 457 -17.713 -6.826 -8.480 1.00 34.22 C ATOM 309 O THR A 457 -17.579 -6.289 -7.369 1.00 14.44 O ATOM 310 CB THR A 457 -19.475 -8.309 -9.456 1.00 42.01 C ATOM 311 OG1 THR A 457 -20.534 -7.571 -8.809 1.00 72.45 O ATOM 312 CG2 THR A 457 -19.924 -9.742 -9.685 1.00 3.51 C ATOM 0 H THR A 457 -19.257 -8.726 -6.918 1.00 4.31 H new ATOM 0 HA THR A 457 -17.405 -8.822 -9.139 1.00 74.41 H new ATOM 0 HB THR A 457 -19.257 -7.848 -10.419 1.00 42.01 H new ATOM 0 HG1 THR A 457 -20.865 -8.081 -8.040 1.00 72.45 H new ATOM 0 HG21 THR A 457 -20.839 -9.746 -10.278 1.00 3.51 H new ATOM 0 HG22 THR A 457 -19.144 -10.287 -10.217 1.00 3.51 H new ATOM 0 HG23 THR A 457 -20.112 -10.222 -8.725 1.00 3.51 H new ATOM 320 N ILE A 458 -17.467 -6.209 -9.611 1.00 12.30 N ATOM 321 CA ILE A 458 -17.074 -4.810 -9.667 1.00 61.34 C ATOM 322 C ILE A 458 -18.199 -3.887 -9.168 1.00 13.11 C ATOM 323 O ILE A 458 -17.942 -2.805 -8.678 1.00 31.44 O ATOM 324 CB ILE A 458 -16.622 -4.382 -11.088 1.00 74.02 C ATOM 325 CG1 ILE A 458 -17.739 -4.649 -12.122 1.00 45.31 C ATOM 326 CG2 ILE A 458 -15.330 -5.108 -11.470 1.00 32.03 C ATOM 327 CD1 ILE A 458 -17.405 -4.211 -13.531 1.00 43.01 C ATOM 0 H ILE A 458 -17.532 -6.659 -10.524 1.00 12.30 H new ATOM 0 HA ILE A 458 -16.218 -4.706 -9.000 1.00 61.34 H new ATOM 0 HB ILE A 458 -16.425 -3.310 -11.085 1.00 74.02 H new ATOM 0 HG12 ILE A 458 -17.963 -5.716 -12.130 1.00 45.31 H new ATOM 0 HG13 ILE A 458 -18.645 -4.136 -11.800 1.00 45.31 H new ATOM 0 HG21 ILE A 458 -15.022 -4.800 -12.469 1.00 32.03 H new ATOM 0 HG22 ILE A 458 -14.547 -4.857 -10.755 1.00 32.03 H new ATOM 0 HG23 ILE A 458 -15.500 -6.185 -11.458 1.00 32.03 H new ATOM 0 HD11 ILE A 458 -18.243 -4.436 -14.190 1.00 43.01 H new ATOM 0 HD12 ILE A 458 -17.212 -3.138 -13.542 1.00 43.01 H new ATOM 0 HD13 ILE A 458 -16.519 -4.743 -13.877 1.00 43.01 H new ATOM 339 N GLU A 459 -19.442 -4.322 -9.274 1.00 13.52 N ATOM 340 CA GLU A 459 -20.520 -3.522 -8.751 1.00 32.21 C ATOM 341 C GLU A 459 -20.579 -3.646 -7.248 1.00 43.13 C ATOM 342 O GLU A 459 -20.903 -2.689 -6.552 1.00 31.22 O ATOM 343 CB GLU A 459 -21.859 -3.848 -9.375 1.00 42.44 C ATOM 344 CG GLU A 459 -21.954 -3.499 -10.844 1.00 21.11 C ATOM 345 CD GLU A 459 -23.369 -3.555 -11.332 1.00 64.45 C ATOM 346 OE1 GLU A 459 -23.772 -4.549 -11.958 1.00 51.23 O ATOM 347 OE2 GLU A 459 -24.134 -2.592 -11.074 1.00 74.45 O ATOM 0 H GLU A 459 -19.720 -5.203 -9.707 1.00 13.52 H new ATOM 0 HA GLU A 459 -20.307 -2.487 -9.018 1.00 32.21 H new ATOM 0 HB2 GLU A 459 -22.056 -4.913 -9.251 1.00 42.44 H new ATOM 0 HB3 GLU A 459 -22.640 -3.314 -8.834 1.00 42.44 H new ATOM 0 HG2 GLU A 459 -21.551 -2.500 -11.008 1.00 21.11 H new ATOM 0 HG3 GLU A 459 -21.341 -4.189 -11.423 1.00 21.11 H new ATOM 354 N ASP A 460 -20.207 -4.820 -6.745 1.00 50.34 N ATOM 355 CA ASP A 460 -20.169 -5.074 -5.326 1.00 40.13 C ATOM 356 C ASP A 460 -19.165 -4.169 -4.664 1.00 1.43 C ATOM 357 O ASP A 460 -19.439 -3.604 -3.614 1.00 1.52 O ATOM 358 CB ASP A 460 -19.808 -6.531 -5.025 1.00 72.12 C ATOM 359 CG ASP A 460 -20.897 -7.526 -5.304 1.00 3.44 C ATOM 360 OD1 ASP A 460 -21.817 -7.669 -4.477 1.00 2.11 O ATOM 361 OD2 ASP A 460 -20.831 -8.212 -6.333 1.00 1.31 O ATOM 0 H ASP A 460 -19.925 -5.616 -7.318 1.00 50.34 H new ATOM 0 HA ASP A 460 -21.165 -4.876 -4.931 1.00 40.13 H new ATOM 0 HB2 ASP A 460 -18.931 -6.801 -5.613 1.00 72.12 H new ATOM 0 HB3 ASP A 460 -19.525 -6.610 -3.975 1.00 72.12 H new ATOM 366 N ILE A 461 -18.010 -4.006 -5.298 1.00 1.13 N ATOM 367 CA ILE A 461 -16.974 -3.163 -4.738 1.00 54.50 C ATOM 368 C ILE A 461 -17.397 -1.683 -4.778 1.00 71.10 C ATOM 369 O ILE A 461 -17.129 -0.934 -3.846 1.00 4.22 O ATOM 370 CB ILE A 461 -15.563 -3.376 -5.409 1.00 14.00 C ATOM 371 CG1 ILE A 461 -14.470 -2.689 -4.576 1.00 53.24 C ATOM 372 CG2 ILE A 461 -15.528 -2.864 -6.844 1.00 33.34 C ATOM 373 CD1 ILE A 461 -13.074 -2.850 -5.132 1.00 71.45 C ATOM 0 H ILE A 461 -17.774 -4.443 -6.189 1.00 1.13 H new ATOM 0 HA ILE A 461 -16.856 -3.466 -3.698 1.00 54.50 H new ATOM 0 HB ILE A 461 -15.375 -4.449 -5.440 1.00 14.00 H new ATOM 0 HG12 ILE A 461 -14.699 -1.626 -4.502 1.00 53.24 H new ATOM 0 HG13 ILE A 461 -14.494 -3.091 -3.563 1.00 53.24 H new ATOM 0 HG21 ILE A 461 -14.537 -3.032 -7.266 1.00 33.34 H new ATOM 0 HG22 ILE A 461 -16.270 -3.397 -7.439 1.00 33.34 H new ATOM 0 HG23 ILE A 461 -15.752 -1.797 -6.855 1.00 33.34 H new ATOM 0 HD11 ILE A 461 -12.363 -2.336 -4.485 1.00 71.45 H new ATOM 0 HD12 ILE A 461 -12.821 -3.909 -5.179 1.00 71.45 H new ATOM 0 HD13 ILE A 461 -13.029 -2.421 -6.133 1.00 71.45 H new ATOM 385 N LEU A 462 -18.109 -1.287 -5.835 1.00 10.42 N ATOM 386 CA LEU A 462 -18.582 0.087 -5.958 1.00 73.23 C ATOM 387 C LEU A 462 -19.624 0.377 -4.905 1.00 61.34 C ATOM 388 O LEU A 462 -19.651 1.466 -4.320 1.00 70.21 O ATOM 389 CB LEU A 462 -19.143 0.383 -7.356 1.00 14.22 C ATOM 390 CG LEU A 462 -18.165 0.276 -8.535 1.00 32.23 C ATOM 391 CD1 LEU A 462 -18.885 0.549 -9.844 1.00 1.44 C ATOM 392 CD2 LEU A 462 -16.993 1.237 -8.363 1.00 0.33 C ATOM 0 H LEU A 462 -18.368 -1.896 -6.611 1.00 10.42 H new ATOM 0 HA LEU A 462 -17.723 0.741 -5.807 1.00 73.23 H new ATOM 0 HB2 LEU A 462 -19.972 -0.300 -7.540 1.00 14.22 H new ATOM 0 HB3 LEU A 462 -19.556 1.392 -7.349 1.00 14.22 H new ATOM 0 HG LEU A 462 -17.769 -0.739 -8.557 1.00 32.23 H new ATOM 0 HD11 LEU A 462 -18.179 0.470 -10.671 1.00 1.44 H new ATOM 0 HD12 LEU A 462 -19.685 -0.179 -9.978 1.00 1.44 H new ATOM 0 HD13 LEU A 462 -19.309 1.553 -9.824 1.00 1.44 H new ATOM 0 HD21 LEU A 462 -16.316 1.141 -9.212 1.00 0.33 H new ATOM 0 HD22 LEU A 462 -17.366 2.260 -8.311 1.00 0.33 H new ATOM 0 HD23 LEU A 462 -16.459 0.998 -7.444 1.00 0.33 H new ATOM 404 N ASP A 463 -20.468 -0.604 -4.658 1.00 34.23 N ATOM 405 CA ASP A 463 -21.493 -0.516 -3.631 1.00 41.40 C ATOM 406 C ASP A 463 -20.837 -0.360 -2.284 1.00 63.50 C ATOM 407 O ASP A 463 -21.112 0.578 -1.540 1.00 61.32 O ATOM 408 CB ASP A 463 -22.321 -1.793 -3.634 1.00 54.54 C ATOM 409 CG ASP A 463 -23.441 -1.773 -2.624 1.00 14.23 C ATOM 410 OD1 ASP A 463 -24.422 -1.015 -2.822 1.00 24.03 O ATOM 411 OD2 ASP A 463 -23.377 -2.536 -1.626 1.00 4.21 O ATOM 0 H ASP A 463 -20.464 -1.489 -5.164 1.00 34.23 H new ATOM 0 HA ASP A 463 -22.136 0.341 -3.831 1.00 41.40 H new ATOM 0 HB2 ASP A 463 -22.739 -1.946 -4.629 1.00 54.54 H new ATOM 0 HB3 ASP A 463 -21.669 -2.642 -3.429 1.00 54.54 H new ATOM 416 N PHE A 464 -19.911 -1.257 -2.036 1.00 23.45 N ATOM 417 CA PHE A 464 -19.144 -1.341 -0.787 1.00 15.40 C ATOM 418 C PHE A 464 -18.430 -0.023 -0.480 1.00 22.34 C ATOM 419 O PHE A 464 -18.366 0.414 0.678 1.00 3.03 O ATOM 420 CB PHE A 464 -18.131 -2.494 -0.901 1.00 64.22 C ATOM 421 CG PHE A 464 -17.225 -2.677 0.281 1.00 75.32 C ATOM 422 CD1 PHE A 464 -17.685 -3.285 1.435 1.00 75.34 C ATOM 423 CD2 PHE A 464 -15.904 -2.254 0.228 1.00 31.12 C ATOM 424 CE1 PHE A 464 -16.847 -3.471 2.517 1.00 51.03 C ATOM 425 CE2 PHE A 464 -15.061 -2.435 1.305 1.00 22.42 C ATOM 426 CZ PHE A 464 -15.532 -3.045 2.453 1.00 33.10 C ATOM 0 H PHE A 464 -19.653 -1.977 -2.711 1.00 23.45 H new ATOM 0 HA PHE A 464 -19.830 -1.534 0.038 1.00 15.40 H new ATOM 0 HB2 PHE A 464 -18.680 -3.422 -1.063 1.00 64.22 H new ATOM 0 HB3 PHE A 464 -17.516 -2.328 -1.786 1.00 64.22 H new ATOM 0 HD1 PHE A 464 -18.711 -3.618 1.491 1.00 75.34 H new ATOM 0 HD2 PHE A 464 -15.532 -1.778 -0.667 1.00 31.12 H new ATOM 0 HE1 PHE A 464 -17.218 -3.948 3.412 1.00 51.03 H new ATOM 0 HE2 PHE A 464 -14.035 -2.101 1.252 1.00 22.42 H new ATOM 0 HZ PHE A 464 -14.875 -3.189 3.298 1.00 33.10 H new ATOM 436 N LEU A 465 -17.909 0.598 -1.513 1.00 55.22 N ATOM 437 CA LEU A 465 -17.222 1.859 -1.388 1.00 32.20 C ATOM 438 C LEU A 465 -18.163 3.010 -1.086 1.00 51.31 C ATOM 439 O LEU A 465 -17.789 3.956 -0.399 1.00 13.43 O ATOM 440 CB LEU A 465 -16.419 2.164 -2.643 1.00 63.21 C ATOM 441 CG LEU A 465 -15.157 1.327 -2.869 1.00 21.32 C ATOM 442 CD1 LEU A 465 -14.519 1.682 -4.203 1.00 30.25 C ATOM 443 CD2 LEU A 465 -14.159 1.543 -1.733 1.00 40.00 C ATOM 0 H LEU A 465 -17.951 0.240 -2.467 1.00 55.22 H new ATOM 0 HA LEU A 465 -16.545 1.759 -0.540 1.00 32.20 H new ATOM 0 HB2 LEU A 465 -17.073 2.035 -3.506 1.00 63.21 H new ATOM 0 HB3 LEU A 465 -16.131 3.215 -2.616 1.00 63.21 H new ATOM 0 HG LEU A 465 -15.441 0.275 -2.885 1.00 21.32 H new ATOM 0 HD11 LEU A 465 -13.623 1.079 -4.350 1.00 30.25 H new ATOM 0 HD12 LEU A 465 -15.226 1.484 -5.009 1.00 30.25 H new ATOM 0 HD13 LEU A 465 -14.250 2.738 -4.208 1.00 30.25 H new ATOM 0 HD21 LEU A 465 -13.269 0.940 -1.911 1.00 40.00 H new ATOM 0 HD22 LEU A 465 -13.881 2.596 -1.688 1.00 40.00 H new ATOM 0 HD23 LEU A 465 -14.614 1.247 -0.788 1.00 40.00 H new ATOM 455 N GLY A 466 -19.364 2.949 -1.593 1.00 45.51 N ATOM 456 CA GLY A 466 -20.276 4.027 -1.362 1.00 51.11 C ATOM 457 C GLY A 466 -19.909 5.220 -2.158 1.00 1.12 C ATOM 458 O GLY A 466 -19.591 5.131 -3.347 1.00 30.02 O ATOM 0 H GLY A 466 -19.726 2.180 -2.157 1.00 45.51 H new ATOM 0 HA2 GLY A 466 -21.287 3.712 -1.619 1.00 51.11 H new ATOM 0 HA3 GLY A 466 -20.281 4.281 -0.302 1.00 51.11 H new ATOM 462 N GLU A 467 -19.928 6.324 -1.506 1.00 33.02 N ATOM 463 CA GLU A 467 -19.522 7.602 -2.095 1.00 11.20 C ATOM 464 C GLU A 467 -18.035 7.594 -2.462 1.00 1.51 C ATOM 465 O GLU A 467 -17.599 8.348 -3.323 1.00 45.01 O ATOM 466 CB GLU A 467 -19.809 8.755 -1.155 1.00 42.20 C ATOM 467 CG GLU A 467 -21.269 8.913 -0.795 1.00 41.35 C ATOM 468 CD GLU A 467 -21.497 10.124 0.060 1.00 50.35 C ATOM 469 OE1 GLU A 467 -21.114 10.108 1.243 1.00 13.20 O ATOM 470 OE2 GLU A 467 -22.050 11.125 -0.435 1.00 53.15 O ATOM 0 H GLU A 467 -20.226 6.395 -0.533 1.00 33.02 H new ATOM 0 HA GLU A 467 -20.108 7.738 -3.004 1.00 11.20 H new ATOM 0 HB2 GLU A 467 -19.234 8.615 -0.240 1.00 42.20 H new ATOM 0 HB3 GLU A 467 -19.457 9.679 -1.614 1.00 42.20 H new ATOM 0 HG2 GLU A 467 -21.863 8.992 -1.706 1.00 41.35 H new ATOM 0 HG3 GLU A 467 -21.613 8.024 -0.267 1.00 41.35 H new ATOM 477 N PHE A 468 -17.270 6.704 -1.831 1.00 22.44 N ATOM 478 CA PHE A 468 -15.837 6.568 -2.104 1.00 12.03 C ATOM 479 C PHE A 468 -15.607 6.032 -3.530 1.00 61.53 C ATOM 480 O PHE A 468 -14.509 6.121 -4.076 1.00 4.54 O ATOM 481 CB PHE A 468 -15.152 5.657 -1.059 1.00 74.33 C ATOM 482 CG PHE A 468 -15.117 6.211 0.358 1.00 73.32 C ATOM 483 CD1 PHE A 468 -16.262 6.252 1.142 1.00 32.25 C ATOM 484 CD2 PHE A 468 -13.930 6.676 0.906 1.00 51.51 C ATOM 485 CE1 PHE A 468 -16.224 6.745 2.431 1.00 4.31 C ATOM 486 CE2 PHE A 468 -13.889 7.171 2.196 1.00 14.33 C ATOM 487 CZ PHE A 468 -15.036 7.206 2.958 1.00 65.14 C ATOM 0 H PHE A 468 -17.621 6.061 -1.121 1.00 22.44 H new ATOM 0 HA PHE A 468 -15.385 7.557 -2.030 1.00 12.03 H new ATOM 0 HB2 PHE A 468 -15.667 4.697 -1.044 1.00 74.33 H new ATOM 0 HB3 PHE A 468 -14.129 5.465 -1.383 1.00 74.33 H new ATOM 0 HD1 PHE A 468 -17.197 5.893 0.737 1.00 32.25 H new ATOM 0 HD2 PHE A 468 -13.026 6.651 0.316 1.00 51.51 H new ATOM 0 HE1 PHE A 468 -17.125 6.770 3.027 1.00 4.31 H new ATOM 0 HE2 PHE A 468 -12.957 7.531 2.607 1.00 14.33 H new ATOM 0 HZ PHE A 468 -15.005 7.594 3.966 1.00 65.14 H new ATOM 497 N ALA A 469 -16.675 5.517 -4.141 1.00 4.33 N ATOM 498 CA ALA A 469 -16.640 5.013 -5.503 1.00 22.20 C ATOM 499 C ALA A 469 -16.509 6.159 -6.514 1.00 15.10 C ATOM 500 O ALA A 469 -16.232 5.935 -7.685 1.00 63.22 O ATOM 501 CB ALA A 469 -17.866 4.168 -5.805 1.00 52.41 C ATOM 0 H ALA A 469 -17.590 5.440 -3.698 1.00 4.33 H new ATOM 0 HA ALA A 469 -15.759 4.378 -5.597 1.00 22.20 H new ATOM 0 HB1 ALA A 469 -17.813 3.804 -6.831 1.00 52.41 H new ATOM 0 HB2 ALA A 469 -17.901 3.320 -5.121 1.00 52.41 H new ATOM 0 HB3 ALA A 469 -18.764 4.773 -5.680 1.00 52.41 H new ATOM 507 N THR A 470 -16.750 7.374 -6.068 1.00 35.44 N ATOM 508 CA THR A 470 -16.576 8.519 -6.912 1.00 31.01 C ATOM 509 C THR A 470 -15.095 8.945 -6.882 1.00 53.21 C ATOM 510 O THR A 470 -14.567 9.526 -7.833 1.00 32.45 O ATOM 511 CB THR A 470 -17.484 9.674 -6.430 1.00 31.03 C ATOM 512 OG1 THR A 470 -18.833 9.179 -6.308 1.00 23.42 O ATOM 513 CG2 THR A 470 -17.469 10.842 -7.417 1.00 72.01 C ATOM 0 H THR A 470 -17.067 7.586 -5.122 1.00 35.44 H new ATOM 0 HA THR A 470 -16.856 8.269 -7.935 1.00 31.01 H new ATOM 0 HB THR A 470 -17.112 10.033 -5.470 1.00 31.03 H new ATOM 0 HG1 THR A 470 -19.420 9.901 -6.001 1.00 23.42 H new ATOM 0 HG21 THR A 470 -18.117 11.637 -7.049 1.00 72.01 H new ATOM 0 HG22 THR A 470 -16.452 11.220 -7.518 1.00 72.01 H new ATOM 0 HG23 THR A 470 -17.828 10.502 -8.389 1.00 72.01 H new ATOM 521 N ASP A 471 -14.420 8.576 -5.808 1.00 31.00 N ATOM 522 CA ASP A 471 -13.049 8.969 -5.586 1.00 43.25 C ATOM 523 C ASP A 471 -12.071 7.960 -6.151 1.00 63.02 C ATOM 524 O ASP A 471 -10.858 8.214 -6.191 1.00 2.31 O ATOM 525 CB ASP A 471 -12.760 9.165 -4.106 1.00 44.44 C ATOM 526 CG ASP A 471 -13.570 10.242 -3.456 1.00 72.34 C ATOM 527 OD1 ASP A 471 -14.548 9.924 -2.755 1.00 51.44 O ATOM 528 OD2 ASP A 471 -13.213 11.423 -3.592 1.00 54.30 O ATOM 0 H ASP A 471 -14.812 7.995 -5.067 1.00 31.00 H new ATOM 0 HA ASP A 471 -12.916 9.916 -6.108 1.00 43.25 H new ATOM 0 HB2 ASP A 471 -12.943 8.225 -3.585 1.00 44.44 H new ATOM 0 HB3 ASP A 471 -11.702 9.398 -3.982 1.00 44.44 H new ATOM 533 N ILE A 472 -12.566 6.802 -6.538 1.00 52.53 N ATOM 534 CA ILE A 472 -11.729 5.818 -7.142 1.00 35.23 C ATOM 535 C ILE A 472 -11.465 6.217 -8.592 1.00 43.35 C ATOM 536 O ILE A 472 -12.386 6.620 -9.318 1.00 31.10 O ATOM 537 CB ILE A 472 -12.327 4.363 -7.058 1.00 4.23 C ATOM 538 CG1 ILE A 472 -11.337 3.353 -7.638 1.00 1.02 C ATOM 539 CG2 ILE A 472 -13.670 4.254 -7.762 1.00 44.20 C ATOM 540 CD1 ILE A 472 -11.824 1.912 -7.646 1.00 23.23 C ATOM 0 H ILE A 472 -13.544 6.531 -6.440 1.00 52.53 H new ATOM 0 HA ILE A 472 -10.793 5.785 -6.584 1.00 35.23 H new ATOM 0 HB ILE A 472 -12.496 4.138 -6.005 1.00 4.23 H new ATOM 0 HG12 ILE A 472 -11.098 3.646 -8.660 1.00 1.02 H new ATOM 0 HG13 ILE A 472 -10.410 3.405 -7.066 1.00 1.02 H new ATOM 0 HG21 ILE A 472 -14.043 3.233 -7.678 1.00 44.20 H new ATOM 0 HG22 ILE A 472 -14.380 4.939 -7.299 1.00 44.20 H new ATOM 0 HG23 ILE A 472 -13.551 4.511 -8.815 1.00 44.20 H new ATOM 0 HD11 ILE A 472 -11.055 1.270 -8.075 1.00 23.23 H new ATOM 0 HD12 ILE A 472 -12.034 1.593 -6.625 1.00 23.23 H new ATOM 0 HD13 ILE A 472 -12.733 1.838 -8.244 1.00 23.23 H new ATOM 552 N ARG A 473 -10.229 6.155 -8.992 1.00 51.33 N ATOM 553 CA ARG A 473 -9.855 6.500 -10.333 1.00 1.31 C ATOM 554 C ARG A 473 -10.316 5.415 -11.296 1.00 11.41 C ATOM 555 O ARG A 473 -10.601 4.294 -10.867 1.00 71.10 O ATOM 556 CB ARG A 473 -8.353 6.792 -10.396 1.00 25.32 C ATOM 557 CG ARG A 473 -8.024 8.174 -9.837 1.00 42.55 C ATOM 558 CD ARG A 473 -6.709 8.233 -9.076 1.00 21.45 C ATOM 559 NE ARG A 473 -5.525 7.835 -9.827 1.00 5.33 N ATOM 560 CZ ARG A 473 -4.349 7.527 -9.249 1.00 3.04 C ATOM 561 NH1 ARG A 473 -4.249 7.510 -7.911 1.00 1.14 N ATOM 562 NH2 ARG A 473 -3.298 7.199 -9.995 1.00 42.21 N ATOM 0 H ARG A 473 -9.452 5.864 -8.399 1.00 51.33 H new ATOM 0 HA ARG A 473 -10.356 7.416 -10.647 1.00 1.31 H new ATOM 0 HB2 ARG A 473 -7.810 6.033 -9.833 1.00 25.32 H new ATOM 0 HB3 ARG A 473 -8.012 6.727 -11.429 1.00 25.32 H new ATOM 0 HG2 ARG A 473 -7.989 8.889 -10.659 1.00 42.55 H new ATOM 0 HG3 ARG A 473 -8.830 8.489 -9.175 1.00 42.55 H new ATOM 0 HD2 ARG A 473 -6.564 9.252 -8.717 1.00 21.45 H new ATOM 0 HD3 ARG A 473 -6.790 7.594 -8.197 1.00 21.45 H new ATOM 0 HE ARG A 473 -5.591 7.787 -10.844 1.00 5.33 H new ATOM 0 HH11 ARG A 473 -5.062 7.730 -7.336 1.00 1.14 H new ATOM 0 HH12 ARG A 473 -3.360 7.277 -7.469 1.00 1.14 H new ATOM 0 HH21 ARG A 473 -3.380 7.180 -11.012 1.00 42.21 H new ATOM 0 HH22 ARG A 473 -2.410 6.967 -9.551 1.00 42.21 H new ATOM 576 N THR A 474 -10.430 5.760 -12.565 1.00 20.43 N ATOM 577 CA THR A 474 -10.969 4.871 -13.580 1.00 1.13 C ATOM 578 C THR A 474 -10.186 3.553 -13.656 1.00 33.10 C ATOM 579 O THR A 474 -8.982 3.533 -13.978 1.00 75.32 O ATOM 580 CB THR A 474 -11.033 5.579 -14.955 1.00 45.13 C ATOM 581 OG1 THR A 474 -11.827 6.785 -14.820 1.00 23.41 O ATOM 582 CG2 THR A 474 -11.676 4.680 -16.007 1.00 35.44 C ATOM 0 H THR A 474 -10.149 6.672 -12.924 1.00 20.43 H new ATOM 0 HA THR A 474 -11.988 4.615 -13.290 1.00 1.13 H new ATOM 0 HB THR A 474 -10.018 5.814 -15.275 1.00 45.13 H new ATOM 0 HG1 THR A 474 -11.874 7.244 -15.684 1.00 23.41 H new ATOM 0 HG21 THR A 474 -11.708 5.203 -16.963 1.00 35.44 H new ATOM 0 HG22 THR A 474 -11.090 3.767 -16.113 1.00 35.44 H new ATOM 0 HG23 THR A 474 -12.690 4.427 -15.698 1.00 35.44 H new ATOM 590 N HIS A 475 -10.881 2.476 -13.272 1.00 51.43 N ATOM 591 CA HIS A 475 -10.354 1.115 -13.224 1.00 65.05 C ATOM 592 C HIS A 475 -9.212 1.065 -12.207 1.00 75.12 C ATOM 593 O HIS A 475 -8.210 0.382 -12.382 1.00 10.22 O ATOM 594 CB HIS A 475 -9.915 0.616 -14.625 1.00 32.21 C ATOM 595 CG HIS A 475 -9.615 -0.866 -14.672 1.00 73.24 C ATOM 596 ND1 HIS A 475 -8.361 -1.399 -14.895 1.00 40.30 N ATOM 597 CD2 HIS A 475 -10.446 -1.923 -14.515 1.00 3.30 C ATOM 598 CE1 HIS A 475 -8.468 -2.731 -14.865 1.00 72.33 C ATOM 599 NE2 HIS A 475 -9.719 -3.103 -14.636 1.00 12.41 N ATOM 0 H HIS A 475 -11.856 2.534 -12.978 1.00 51.43 H new ATOM 0 HA HIS A 475 -11.142 0.434 -12.904 1.00 65.05 H new ATOM 0 HB2 HIS A 475 -10.701 0.842 -15.345 1.00 32.21 H new ATOM 0 HB3 HIS A 475 -9.028 1.168 -14.937 1.00 32.21 H new ATOM 0 HD2 HIS A 475 -11.507 -1.860 -14.325 1.00 3.30 H new ATOM 0 HE1 HIS A 475 -7.644 -3.414 -15.008 1.00 72.33 H new ATOM 0 HE2 HIS A 475 -10.075 -4.056 -14.564 1.00 12.41 H new ATOM 607 N GLY A 476 -9.389 1.804 -11.134 1.00 42.24 N ATOM 608 CA GLY A 476 -8.420 1.830 -10.075 1.00 62.15 C ATOM 609 C GLY A 476 -8.395 0.531 -9.310 1.00 22.22 C ATOM 610 O GLY A 476 -7.491 0.282 -8.528 1.00 1.32 O ATOM 0 H GLY A 476 -10.204 2.397 -10.977 1.00 42.24 H new ATOM 0 HA2 GLY A 476 -7.432 2.027 -10.491 1.00 62.15 H new ATOM 0 HA3 GLY A 476 -8.648 2.649 -9.393 1.00 62.15 H new ATOM 614 N VAL A 477 -9.407 -0.276 -9.510 1.00 15.31 N ATOM 615 CA VAL A 477 -9.471 -1.558 -8.899 1.00 25.34 C ATOM 616 C VAL A 477 -8.671 -2.590 -9.719 1.00 11.33 C ATOM 617 O VAL A 477 -9.102 -3.066 -10.775 1.00 54.43 O ATOM 618 CB VAL A 477 -10.946 -2.019 -8.638 1.00 14.35 C ATOM 619 CG1 VAL A 477 -11.809 -1.954 -9.902 1.00 24.42 C ATOM 620 CG2 VAL A 477 -10.983 -3.416 -8.021 1.00 74.31 C ATOM 0 H VAL A 477 -10.205 -0.052 -10.104 1.00 15.31 H new ATOM 0 HA VAL A 477 -9.005 -1.482 -7.917 1.00 25.34 H new ATOM 0 HB VAL A 477 -11.376 -1.317 -7.924 1.00 14.35 H new ATOM 0 HG11 VAL A 477 -12.822 -2.283 -9.669 1.00 24.42 H new ATOM 0 HG12 VAL A 477 -11.837 -0.929 -10.271 1.00 24.42 H new ATOM 0 HG13 VAL A 477 -11.383 -2.604 -10.667 1.00 24.42 H new ATOM 0 HG21 VAL A 477 -12.018 -3.711 -7.850 1.00 74.31 H new ATOM 0 HG22 VAL A 477 -10.510 -4.126 -8.700 1.00 74.31 H new ATOM 0 HG23 VAL A 477 -10.447 -3.409 -7.072 1.00 74.31 H new ATOM 630 N HIS A 478 -7.502 -2.889 -9.246 1.00 33.43 N ATOM 631 CA HIS A 478 -6.632 -3.855 -9.878 1.00 73.44 C ATOM 632 C HIS A 478 -6.602 -5.103 -9.024 1.00 75.45 C ATOM 633 O HIS A 478 -5.966 -5.128 -7.975 1.00 74.40 O ATOM 634 CB HIS A 478 -5.201 -3.294 -10.064 1.00 71.24 C ATOM 635 CG HIS A 478 -5.081 -2.127 -11.021 1.00 45.32 C ATOM 636 ND1 HIS A 478 -4.660 -2.246 -12.331 1.00 2.24 N ATOM 637 CD2 HIS A 478 -5.294 -0.798 -10.823 1.00 1.43 C ATOM 638 CE1 HIS A 478 -4.630 -1.027 -12.876 1.00 25.30 C ATOM 639 NE2 HIS A 478 -5.004 -0.107 -12.004 1.00 21.33 N ATOM 0 H HIS A 478 -7.112 -2.470 -8.402 1.00 33.43 H new ATOM 0 HA HIS A 478 -7.017 -4.086 -10.871 1.00 73.44 H new ATOM 0 HB2 HIS A 478 -4.821 -2.984 -9.090 1.00 71.24 H new ATOM 0 HB3 HIS A 478 -4.556 -4.099 -10.417 1.00 71.24 H new ATOM 0 HD2 HIS A 478 -5.633 -0.348 -9.901 1.00 1.43 H new ATOM 0 HE1 HIS A 478 -4.338 -0.820 -13.895 1.00 25.30 H new ATOM 0 HE2 HIS A 478 -5.068 0.899 -12.160 1.00 21.33 H new ATOM 647 N MET A 479 -7.328 -6.107 -9.432 1.00 51.40 N ATOM 648 CA MET A 479 -7.428 -7.333 -8.661 1.00 34.43 C ATOM 649 C MET A 479 -6.222 -8.221 -8.896 1.00 3.03 C ATOM 650 O MET A 479 -5.759 -8.374 -10.029 1.00 2.22 O ATOM 651 CB MET A 479 -8.732 -8.056 -8.988 1.00 44.44 C ATOM 652 CG MET A 479 -9.004 -9.310 -8.171 1.00 42.03 C ATOM 653 SD MET A 479 -10.622 -10.046 -8.531 1.00 14.44 S ATOM 654 CE MET A 479 -11.726 -8.693 -8.109 1.00 12.41 C ATOM 0 H MET A 479 -7.866 -6.108 -10.299 1.00 51.40 H new ATOM 0 HA MET A 479 -7.440 -7.080 -7.601 1.00 34.43 H new ATOM 0 HB2 MET A 479 -9.559 -7.361 -8.843 1.00 44.44 H new ATOM 0 HB3 MET A 479 -8.724 -8.325 -10.044 1.00 44.44 H new ATOM 0 HG2 MET A 479 -8.223 -10.044 -8.370 1.00 42.03 H new ATOM 0 HG3 MET A 479 -8.949 -9.066 -7.110 1.00 42.03 H new ATOM 0 HE1 MET A 479 -12.733 -9.080 -7.951 1.00 12.41 H new ATOM 0 HE2 MET A 479 -11.376 -8.209 -7.197 1.00 12.41 H new ATOM 0 HE3 MET A 479 -11.740 -7.967 -8.922 1.00 12.41 H new ATOM 664 N VAL A 480 -5.718 -8.786 -7.830 1.00 4.21 N ATOM 665 CA VAL A 480 -4.531 -9.609 -7.881 1.00 25.11 C ATOM 666 C VAL A 480 -4.901 -11.064 -8.119 1.00 24.11 C ATOM 667 O VAL A 480 -5.534 -11.722 -7.268 1.00 23.24 O ATOM 668 CB VAL A 480 -3.683 -9.482 -6.580 1.00 11.34 C ATOM 669 CG1 VAL A 480 -2.429 -10.349 -6.647 1.00 3.42 C ATOM 670 CG2 VAL A 480 -3.304 -8.031 -6.331 1.00 44.01 C ATOM 0 H VAL A 480 -6.119 -8.690 -6.897 1.00 4.21 H new ATOM 0 HA VAL A 480 -3.924 -9.252 -8.713 1.00 25.11 H new ATOM 0 HB VAL A 480 -4.295 -9.836 -5.750 1.00 11.34 H new ATOM 0 HG11 VAL A 480 -1.860 -10.237 -5.724 1.00 3.42 H new ATOM 0 HG12 VAL A 480 -2.715 -11.393 -6.773 1.00 3.42 H new ATOM 0 HG13 VAL A 480 -1.815 -10.036 -7.492 1.00 3.42 H new ATOM 0 HG21 VAL A 480 -2.712 -7.961 -5.418 1.00 44.01 H new ATOM 0 HG22 VAL A 480 -2.720 -7.658 -7.172 1.00 44.01 H new ATOM 0 HG23 VAL A 480 -4.208 -7.432 -6.224 1.00 44.01 H new ATOM 680 N LEU A 481 -4.555 -11.543 -9.278 1.00 20.23 N ATOM 681 CA LEU A 481 -4.758 -12.916 -9.634 1.00 0.04 C ATOM 682 C LEU A 481 -3.526 -13.731 -9.315 1.00 51.44 C ATOM 683 O LEU A 481 -2.431 -13.189 -9.201 1.00 41.14 O ATOM 684 CB LEU A 481 -5.200 -13.062 -11.115 1.00 20.33 C ATOM 685 CG LEU A 481 -4.409 -12.286 -12.205 1.00 23.34 C ATOM 686 CD1 LEU A 481 -3.011 -12.848 -12.435 1.00 23.32 C ATOM 687 CD2 LEU A 481 -5.189 -12.259 -13.506 1.00 3.40 C ATOM 0 H LEU A 481 -4.119 -10.984 -10.011 1.00 20.23 H new ATOM 0 HA LEU A 481 -5.576 -13.311 -9.032 1.00 0.04 H new ATOM 0 HB2 LEU A 481 -5.162 -14.121 -11.369 1.00 20.33 H new ATOM 0 HB3 LEU A 481 -6.244 -12.755 -11.181 1.00 20.33 H new ATOM 0 HG LEU A 481 -4.282 -11.268 -11.837 1.00 23.34 H new ATOM 0 HD11 LEU A 481 -2.507 -12.266 -13.207 1.00 23.32 H new ATOM 0 HD12 LEU A 481 -2.440 -12.793 -11.508 1.00 23.32 H new ATOM 0 HD13 LEU A 481 -3.085 -13.887 -12.755 1.00 23.32 H new ATOM 0 HD21 LEU A 481 -4.622 -11.712 -14.259 1.00 3.40 H new ATOM 0 HD22 LEU A 481 -5.359 -13.279 -13.850 1.00 3.40 H new ATOM 0 HD23 LEU A 481 -6.148 -11.766 -13.345 1.00 3.40 H new ATOM 699 N ASN A 482 -3.710 -15.011 -9.143 1.00 21.41 N ATOM 700 CA ASN A 482 -2.601 -15.897 -8.849 1.00 4.21 C ATOM 701 C ASN A 482 -2.173 -16.535 -10.182 1.00 30.21 C ATOM 702 O ASN A 482 -2.662 -16.119 -11.246 1.00 34.51 O ATOM 703 CB ASN A 482 -3.048 -16.972 -7.826 1.00 43.15 C ATOM 704 CG ASN A 482 -1.889 -17.624 -7.046 1.00 43.12 C ATOM 705 OD1 ASN A 482 -0.761 -17.713 -7.526 1.00 3.23 O ATOM 706 ND2 ASN A 482 -2.177 -18.109 -5.865 1.00 63.02 N ATOM 0 H ASN A 482 -4.618 -15.472 -9.200 1.00 21.41 H new ATOM 0 HA ASN A 482 -1.762 -15.359 -8.406 1.00 4.21 H new ATOM 0 HB2 ASN A 482 -3.738 -16.517 -7.116 1.00 43.15 H new ATOM 0 HB3 ASN A 482 -3.600 -17.751 -8.352 1.00 43.15 H new ATOM 0 HD21 ASN A 482 -1.456 -18.577 -5.316 1.00 63.02 H new ATOM 0 HD22 ASN A 482 -3.123 -18.019 -5.494 1.00 63.02 H new ATOM 713 N HIS A 483 -1.328 -17.541 -10.136 1.00 34.43 N ATOM 714 CA HIS A 483 -0.815 -18.212 -11.325 1.00 24.24 C ATOM 715 C HIS A 483 -1.952 -18.829 -12.159 1.00 31.15 C ATOM 716 O HIS A 483 -1.866 -18.907 -13.383 1.00 24.22 O ATOM 717 CB HIS A 483 0.209 -19.284 -10.922 1.00 50.43 C ATOM 718 CG HIS A 483 0.961 -19.878 -12.072 1.00 1.34 C ATOM 719 ND1 HIS A 483 0.933 -21.210 -12.417 1.00 52.34 N ATOM 720 CD2 HIS A 483 1.810 -19.290 -12.935 1.00 5.30 C ATOM 721 CE1 HIS A 483 1.751 -21.385 -13.453 1.00 70.44 C ATOM 722 NE2 HIS A 483 2.314 -20.244 -13.811 1.00 44.00 N ATOM 0 H HIS A 483 -0.969 -17.926 -9.263 1.00 34.43 H new ATOM 0 HA HIS A 483 -0.321 -17.468 -11.949 1.00 24.24 H new ATOM 0 HB2 HIS A 483 0.922 -18.845 -10.224 1.00 50.43 H new ATOM 0 HB3 HIS A 483 -0.308 -20.082 -10.389 1.00 50.43 H new ATOM 0 HD2 HIS A 483 2.061 -18.240 -12.945 1.00 5.30 H new ATOM 0 HE1 HIS A 483 1.931 -22.334 -13.937 1.00 70.44 H new ATOM 0 HE2 HIS A 483 2.979 -20.095 -14.570 1.00 44.00 H new ATOM 730 N GLN A 484 -3.020 -19.227 -11.496 1.00 22.04 N ATOM 731 CA GLN A 484 -4.170 -19.810 -12.169 1.00 51.42 C ATOM 732 C GLN A 484 -4.972 -18.731 -12.920 1.00 34.34 C ATOM 733 O GLN A 484 -5.767 -19.033 -13.795 1.00 22.45 O ATOM 734 CB GLN A 484 -5.081 -20.486 -11.160 1.00 12.30 C ATOM 735 CG GLN A 484 -6.143 -21.360 -11.789 1.00 25.34 C ATOM 736 CD GLN A 484 -7.169 -21.815 -10.798 1.00 61.11 C ATOM 737 OE1 GLN A 484 -7.006 -22.834 -10.142 1.00 73.42 O ATOM 738 NE2 GLN A 484 -8.250 -21.097 -10.714 1.00 61.15 N ATOM 0 H GLN A 484 -3.118 -19.157 -10.483 1.00 22.04 H new ATOM 0 HA GLN A 484 -3.801 -20.544 -12.885 1.00 51.42 H new ATOM 0 HB2 GLN A 484 -4.476 -21.093 -10.487 1.00 12.30 H new ATOM 0 HB3 GLN A 484 -5.565 -19.722 -10.552 1.00 12.30 H new ATOM 0 HG2 GLN A 484 -6.635 -20.809 -12.590 1.00 25.34 H new ATOM 0 HG3 GLN A 484 -5.671 -22.230 -12.244 1.00 25.34 H new ATOM 0 HE21 GLN A 484 -8.347 -20.253 -11.279 1.00 61.15 H new ATOM 0 HE22 GLN A 484 -9.001 -21.378 -10.083 1.00 61.15 H new ATOM 747 N GLY A 485 -4.753 -17.484 -12.566 1.00 71.50 N ATOM 748 CA GLY A 485 -5.489 -16.417 -13.173 1.00 71.41 C ATOM 749 C GLY A 485 -6.763 -16.111 -12.419 1.00 61.42 C ATOM 750 O GLY A 485 -7.681 -15.480 -12.954 1.00 4.00 O ATOM 0 H GLY A 485 -4.073 -17.193 -11.864 1.00 71.50 H new ATOM 0 HA2 GLY A 485 -4.867 -15.523 -13.212 1.00 71.41 H new ATOM 0 HA3 GLY A 485 -5.731 -16.682 -14.202 1.00 71.41 H new ATOM 754 N ARG A 486 -6.823 -16.538 -11.170 1.00 40.23 N ATOM 755 CA ARG A 486 -7.989 -16.285 -10.354 1.00 63.23 C ATOM 756 C ARG A 486 -7.538 -15.457 -9.175 1.00 34.04 C ATOM 757 O ARG A 486 -6.381 -15.599 -8.749 1.00 13.52 O ATOM 758 CB ARG A 486 -8.707 -17.616 -9.933 1.00 3.42 C ATOM 759 CG ARG A 486 -8.065 -18.436 -8.803 1.00 72.34 C ATOM 760 CD ARG A 486 -8.600 -18.041 -7.420 1.00 75.51 C ATOM 761 NE ARG A 486 -10.060 -18.281 -7.289 1.00 31.31 N ATOM 762 CZ ARG A 486 -10.872 -17.713 -6.365 1.00 50.25 C ATOM 763 NH1 ARG A 486 -10.406 -16.800 -5.527 1.00 53.33 N ATOM 764 NH2 ARG A 486 -12.154 -18.058 -6.300 1.00 20.54 N ATOM 0 H ARG A 486 -6.080 -17.059 -10.704 1.00 40.23 H new ATOM 0 HA ARG A 486 -8.742 -15.734 -10.917 1.00 63.23 H new ATOM 0 HB2 ARG A 486 -9.726 -17.370 -9.634 1.00 3.42 H new ATOM 0 HB3 ARG A 486 -8.779 -18.254 -10.814 1.00 3.42 H new ATOM 0 HG2 ARG A 486 -8.254 -19.496 -8.974 1.00 72.34 H new ATOM 0 HG3 ARG A 486 -6.984 -18.297 -8.825 1.00 72.34 H new ATOM 0 HD2 ARG A 486 -8.071 -18.607 -6.653 1.00 75.51 H new ATOM 0 HD3 ARG A 486 -8.390 -16.987 -7.240 1.00 75.51 H new ATOM 0 HE ARG A 486 -10.488 -18.929 -7.951 1.00 31.31 H new ATOM 0 HH11 ARG A 486 -9.427 -16.518 -5.573 1.00 53.33 H new ATOM 0 HH12 ARG A 486 -11.026 -16.379 -4.835 1.00 53.33 H new ATOM 0 HH21 ARG A 486 -12.529 -18.752 -6.947 1.00 20.54 H new ATOM 0 HH22 ARG A 486 -12.763 -17.629 -5.603 1.00 20.54 H new ATOM 778 N PRO A 487 -8.390 -14.557 -8.674 1.00 70.00 N ATOM 779 CA PRO A 487 -8.055 -13.663 -7.563 1.00 71.41 C ATOM 780 C PRO A 487 -7.534 -14.399 -6.334 1.00 15.11 C ATOM 781 O PRO A 487 -8.110 -15.383 -5.895 1.00 24.44 O ATOM 782 CB PRO A 487 -9.394 -12.980 -7.223 1.00 63.25 C ATOM 783 CG PRO A 487 -10.438 -13.774 -7.939 1.00 75.34 C ATOM 784 CD PRO A 487 -9.766 -14.320 -9.152 1.00 63.20 C ATOM 0 HA PRO A 487 -7.257 -12.977 -7.846 1.00 71.41 H new ATOM 0 HB2 PRO A 487 -9.572 -12.977 -6.148 1.00 63.25 H new ATOM 0 HB3 PRO A 487 -9.399 -11.940 -7.550 1.00 63.25 H new ATOM 0 HG2 PRO A 487 -10.821 -14.577 -7.309 1.00 75.34 H new ATOM 0 HG3 PRO A 487 -11.288 -13.149 -8.210 1.00 75.34 H new ATOM 0 HD2 PRO A 487 -10.239 -15.239 -9.499 1.00 63.20 H new ATOM 0 HD3 PRO A 487 -9.791 -13.615 -9.983 1.00 63.20 H new ATOM 792 N SER A 488 -6.451 -13.907 -5.777 1.00 13.12 N ATOM 793 CA SER A 488 -5.905 -14.462 -4.557 1.00 74.34 C ATOM 794 C SER A 488 -6.696 -13.933 -3.355 1.00 4.55 C ATOM 795 O SER A 488 -6.417 -14.255 -2.214 1.00 60.40 O ATOM 796 CB SER A 488 -4.435 -14.071 -4.437 1.00 24.40 C ATOM 797 OG SER A 488 -3.727 -14.464 -5.604 1.00 32.04 O ATOM 0 H SER A 488 -5.926 -13.117 -6.152 1.00 13.12 H new ATOM 0 HA SER A 488 -5.982 -15.549 -4.579 1.00 74.34 H new ATOM 0 HB2 SER A 488 -4.348 -12.994 -4.295 1.00 24.40 H new ATOM 0 HB3 SER A 488 -3.995 -14.545 -3.559 1.00 24.40 H new ATOM 0 HG SER A 488 -2.785 -14.207 -5.517 1.00 32.04 H new ATOM 803 N GLY A 489 -7.682 -13.108 -3.649 1.00 34.12 N ATOM 804 CA GLY A 489 -8.486 -12.514 -2.632 1.00 53.12 C ATOM 805 C GLY A 489 -7.948 -11.169 -2.261 1.00 13.40 C ATOM 806 O GLY A 489 -8.481 -10.501 -1.392 1.00 53.52 O ATOM 0 H GLY A 489 -7.937 -12.840 -4.599 1.00 34.12 H new ATOM 0 HA2 GLY A 489 -9.514 -12.418 -2.982 1.00 53.12 H new ATOM 0 HA3 GLY A 489 -8.508 -13.159 -1.754 1.00 53.12 H new ATOM 810 N ASP A 490 -6.905 -10.778 -2.940 1.00 22.14 N ATOM 811 CA ASP A 490 -6.227 -9.525 -2.705 1.00 53.14 C ATOM 812 C ASP A 490 -6.415 -8.665 -3.954 1.00 64.55 C ATOM 813 O ASP A 490 -6.535 -9.208 -5.074 1.00 51.43 O ATOM 814 CB ASP A 490 -4.736 -9.818 -2.432 1.00 65.13 C ATOM 815 CG ASP A 490 -3.918 -8.625 -1.958 1.00 70.03 C ATOM 816 OD1 ASP A 490 -3.846 -8.383 -0.717 1.00 21.31 O ATOM 817 OD2 ASP A 490 -3.264 -7.983 -2.783 1.00 74.04 O ATOM 0 H ASP A 490 -6.490 -11.331 -3.690 1.00 22.14 H new ATOM 0 HA ASP A 490 -6.628 -8.993 -1.842 1.00 53.14 H new ATOM 0 HB2 ASP A 490 -4.668 -10.606 -1.682 1.00 65.13 H new ATOM 0 HB3 ASP A 490 -4.286 -10.208 -3.345 1.00 65.13 H new ATOM 822 N ALA A 491 -6.519 -7.373 -3.779 1.00 23.13 N ATOM 823 CA ALA A 491 -6.745 -6.447 -4.881 1.00 13.42 C ATOM 824 C ALA A 491 -6.342 -5.059 -4.465 1.00 15.35 C ATOM 825 O ALA A 491 -6.212 -4.789 -3.300 1.00 64.41 O ATOM 826 CB ALA A 491 -8.216 -6.440 -5.277 1.00 24.30 C ATOM 0 H ALA A 491 -6.450 -6.922 -2.867 1.00 23.13 H new ATOM 0 HA ALA A 491 -6.147 -6.769 -5.733 1.00 13.42 H new ATOM 0 HB1 ALA A 491 -8.368 -5.743 -6.101 1.00 24.30 H new ATOM 0 HB2 ALA A 491 -8.514 -7.441 -5.589 1.00 24.30 H new ATOM 0 HB3 ALA A 491 -8.821 -6.131 -4.425 1.00 24.30 H new ATOM 832 N PHE A 492 -6.151 -4.196 -5.407 1.00 11.53 N ATOM 833 CA PHE A 492 -5.803 -2.832 -5.127 1.00 3.20 C ATOM 834 C PHE A 492 -6.895 -1.900 -5.593 1.00 41.35 C ATOM 835 O PHE A 492 -7.565 -2.169 -6.580 1.00 24.24 O ATOM 836 CB PHE A 492 -4.509 -2.445 -5.830 1.00 22.32 C ATOM 837 CG PHE A 492 -3.256 -3.085 -5.307 1.00 62.22 C ATOM 838 CD1 PHE A 492 -2.496 -2.448 -4.343 1.00 22.22 C ATOM 839 CD2 PHE A 492 -2.824 -4.308 -5.795 1.00 63.44 C ATOM 840 CE1 PHE A 492 -1.330 -3.015 -3.875 1.00 71.15 C ATOM 841 CE2 PHE A 492 -1.659 -4.882 -5.325 1.00 43.32 C ATOM 842 CZ PHE A 492 -0.913 -4.233 -4.366 1.00 31.42 C ATOM 0 H PHE A 492 -6.231 -4.413 -6.400 1.00 11.53 H new ATOM 0 HA PHE A 492 -5.673 -2.744 -4.048 1.00 3.20 H new ATOM 0 HB2 PHE A 492 -4.605 -2.693 -6.887 1.00 22.32 H new ATOM 0 HB3 PHE A 492 -4.394 -1.363 -5.766 1.00 22.32 H new ATOM 0 HD1 PHE A 492 -2.820 -1.495 -3.952 1.00 22.22 H new ATOM 0 HD2 PHE A 492 -3.404 -4.817 -6.550 1.00 63.44 H new ATOM 0 HE1 PHE A 492 -0.744 -2.505 -3.124 1.00 71.15 H new ATOM 0 HE2 PHE A 492 -1.334 -5.838 -5.709 1.00 43.32 H new ATOM 0 HZ PHE A 492 -0.001 -4.679 -3.999 1.00 31.42 H new ATOM 852 N ILE A 493 -7.080 -0.840 -4.867 1.00 33.14 N ATOM 853 CA ILE A 493 -7.963 0.236 -5.244 1.00 21.05 C ATOM 854 C ILE A 493 -7.093 1.458 -5.381 1.00 63.41 C ATOM 855 O ILE A 493 -6.241 1.693 -4.554 1.00 1.25 O ATOM 856 CB ILE A 493 -9.054 0.533 -4.175 1.00 74.44 C ATOM 857 CG1 ILE A 493 -9.971 -0.666 -3.967 1.00 11.31 C ATOM 858 CG2 ILE A 493 -9.872 1.775 -4.544 1.00 4.41 C ATOM 859 CD1 ILE A 493 -11.054 -0.419 -2.934 1.00 1.24 C ATOM 0 H ILE A 493 -6.613 -0.690 -3.973 1.00 33.14 H new ATOM 0 HA ILE A 493 -8.485 -0.038 -6.161 1.00 21.05 H new ATOM 0 HB ILE A 493 -8.538 0.731 -3.236 1.00 74.44 H new ATOM 0 HG12 ILE A 493 -10.437 -0.928 -4.917 1.00 11.31 H new ATOM 0 HG13 ILE A 493 -9.373 -1.523 -3.659 1.00 11.31 H new ATOM 0 HG21 ILE A 493 -10.626 1.955 -3.777 1.00 4.41 H new ATOM 0 HG22 ILE A 493 -9.211 2.639 -4.613 1.00 4.41 H new ATOM 0 HG23 ILE A 493 -10.362 1.616 -5.504 1.00 4.41 H new ATOM 0 HD11 ILE A 493 -11.672 -1.311 -2.834 1.00 1.24 H new ATOM 0 HD12 ILE A 493 -10.594 -0.186 -1.973 1.00 1.24 H new ATOM 0 HD13 ILE A 493 -11.675 0.419 -3.251 1.00 1.24 H new ATOM 871 N GLN A 494 -7.274 2.193 -6.401 1.00 42.14 N ATOM 872 CA GLN A 494 -6.474 3.362 -6.613 1.00 34.13 C ATOM 873 C GLN A 494 -7.377 4.602 -6.628 1.00 73.12 C ATOM 874 O GLN A 494 -8.194 4.789 -7.538 1.00 1.21 O ATOM 875 CB GLN A 494 -5.687 3.179 -7.902 1.00 1.41 C ATOM 876 CG GLN A 494 -4.642 4.217 -8.176 1.00 33.10 C ATOM 877 CD GLN A 494 -3.822 3.859 -9.390 1.00 70.44 C ATOM 878 OE1 GLN A 494 -2.787 3.193 -9.288 1.00 51.11 O ATOM 879 NE2 GLN A 494 -4.273 4.264 -10.538 1.00 43.01 N ATOM 0 H GLN A 494 -7.975 2.017 -7.121 1.00 42.14 H new ATOM 0 HA GLN A 494 -5.757 3.508 -5.805 1.00 34.13 H new ATOM 0 HB2 GLN A 494 -5.205 2.202 -7.876 1.00 1.41 H new ATOM 0 HB3 GLN A 494 -6.389 3.167 -8.736 1.00 1.41 H new ATOM 0 HG2 GLN A 494 -5.119 5.185 -8.329 1.00 33.10 H new ATOM 0 HG3 GLN A 494 -3.989 4.317 -7.309 1.00 33.10 H new ATOM 0 HE21 GLN A 494 -5.132 4.813 -10.584 1.00 43.01 H new ATOM 0 HE22 GLN A 494 -3.769 4.034 -11.394 1.00 43.01 H new ATOM 888 N MET A 495 -7.266 5.407 -5.595 1.00 65.22 N ATOM 889 CA MET A 495 -8.121 6.576 -5.400 1.00 3.24 C ATOM 890 C MET A 495 -7.385 7.843 -5.728 1.00 12.13 C ATOM 891 O MET A 495 -6.183 7.822 -5.962 1.00 40.11 O ATOM 892 CB MET A 495 -8.653 6.637 -3.962 1.00 74.35 C ATOM 893 CG MET A 495 -9.359 5.368 -3.518 1.00 70.40 C ATOM 894 SD MET A 495 -10.177 5.523 -1.923 1.00 43.44 S ATOM 895 CE MET A 495 -11.545 6.554 -2.355 1.00 70.22 C ATOM 0 H MET A 495 -6.576 5.275 -4.855 1.00 65.22 H new ATOM 0 HA MET A 495 -8.967 6.479 -6.080 1.00 3.24 H new ATOM 0 HB2 MET A 495 -7.822 6.836 -3.285 1.00 74.35 H new ATOM 0 HB3 MET A 495 -9.343 7.476 -3.875 1.00 74.35 H new ATOM 0 HG2 MET A 495 -10.097 5.090 -4.270 1.00 70.40 H new ATOM 0 HG3 MET A 495 -8.633 4.556 -3.468 1.00 70.40 H new ATOM 0 HE1 MET A 495 -12.270 6.556 -1.541 1.00 70.22 H new ATOM 0 HE2 MET A 495 -11.193 7.571 -2.530 1.00 70.22 H new ATOM 0 HE3 MET A 495 -12.017 6.172 -3.260 1.00 70.22 H new ATOM 905 N LYS A 496 -8.118 8.935 -5.802 1.00 22.21 N ATOM 906 CA LYS A 496 -7.579 10.223 -6.056 1.00 61.44 C ATOM 907 C LYS A 496 -6.595 10.647 -4.974 1.00 60.32 C ATOM 908 O LYS A 496 -5.442 10.971 -5.253 1.00 24.22 O ATOM 909 CB LYS A 496 -8.707 11.228 -6.063 1.00 61.41 C ATOM 910 CG LYS A 496 -9.725 11.115 -7.175 1.00 42.03 C ATOM 911 CD LYS A 496 -10.726 12.257 -7.059 1.00 51.42 C ATOM 912 CE LYS A 496 -11.761 12.227 -8.158 1.00 74.00 C ATOM 913 NZ LYS A 496 -12.642 13.404 -8.116 1.00 53.42 N ATOM 0 H LYS A 496 -9.131 8.934 -5.681 1.00 22.21 H new ATOM 0 HA LYS A 496 -7.059 10.184 -7.013 1.00 61.44 H new ATOM 0 HB2 LYS A 496 -9.235 11.150 -5.112 1.00 61.41 H new ATOM 0 HB3 LYS A 496 -8.270 12.226 -6.105 1.00 61.41 H new ATOM 0 HG2 LYS A 496 -9.227 11.149 -8.144 1.00 42.03 H new ATOM 0 HG3 LYS A 496 -10.241 10.157 -7.115 1.00 42.03 H new ATOM 0 HD2 LYS A 496 -11.225 12.203 -6.092 1.00 51.42 H new ATOM 0 HD3 LYS A 496 -10.194 13.208 -7.090 1.00 51.42 H new ATOM 0 HE2 LYS A 496 -11.261 12.182 -9.126 1.00 74.00 H new ATOM 0 HE3 LYS A 496 -12.361 11.321 -8.067 1.00 74.00 H new ATOM 0 HZ1 LYS A 496 -13.338 13.345 -8.887 1.00 53.42 H new ATOM 0 HZ2 LYS A 496 -13.139 13.433 -7.203 1.00 53.42 H new ATOM 0 HZ3 LYS A 496 -12.073 14.267 -8.229 1.00 53.42 H new ATOM 927 N SER A 497 -7.039 10.584 -3.752 1.00 31.43 N ATOM 928 CA SER A 497 -6.313 11.155 -2.675 1.00 43.31 C ATOM 929 C SER A 497 -5.956 10.133 -1.625 1.00 5.55 C ATOM 930 O SER A 497 -6.728 9.207 -1.349 1.00 34.15 O ATOM 931 CB SER A 497 -7.131 12.296 -2.059 1.00 11.34 C ATOM 932 OG SER A 497 -6.447 12.918 -0.973 1.00 64.34 O ATOM 0 H SER A 497 -7.914 10.134 -3.483 1.00 31.43 H new ATOM 0 HA SER A 497 -5.374 11.545 -3.069 1.00 43.31 H new ATOM 0 HB2 SER A 497 -7.348 13.041 -2.825 1.00 11.34 H new ATOM 0 HB3 SER A 497 -8.088 11.909 -1.710 1.00 11.34 H new ATOM 0 HG SER A 497 -7.000 13.641 -0.609 1.00 64.34 H new ATOM 938 N ALA A 498 -4.794 10.334 -1.022 1.00 25.20 N ATOM 939 CA ALA A 498 -4.293 9.504 0.049 1.00 2.45 C ATOM 940 C ALA A 498 -5.130 9.694 1.280 1.00 64.24 C ATOM 941 O ALA A 498 -5.262 8.793 2.088 1.00 72.31 O ATOM 942 CB ALA A 498 -2.852 9.863 0.368 1.00 22.14 C ATOM 0 H ALA A 498 -4.164 11.096 -1.273 1.00 25.20 H new ATOM 0 HA ALA A 498 -4.342 8.463 -0.272 1.00 2.45 H new ATOM 0 HB1 ALA A 498 -2.490 9.229 1.177 1.00 22.14 H new ATOM 0 HB2 ALA A 498 -2.235 9.711 -0.517 1.00 22.14 H new ATOM 0 HB3 ALA A 498 -2.796 10.908 0.674 1.00 22.14 H new ATOM 948 N ASP A 499 -5.712 10.867 1.397 1.00 3.34 N ATOM 949 CA ASP A 499 -6.541 11.212 2.536 1.00 11.12 C ATOM 950 C ASP A 499 -7.801 10.389 2.503 1.00 54.25 C ATOM 951 O ASP A 499 -8.193 9.751 3.483 1.00 74.42 O ATOM 952 CB ASP A 499 -6.891 12.695 2.483 1.00 45.44 C ATOM 953 CG ASP A 499 -7.727 13.154 3.655 1.00 65.21 C ATOM 954 OD1 ASP A 499 -7.159 13.443 4.736 1.00 14.44 O ATOM 955 OD2 ASP A 499 -8.947 13.269 3.514 1.00 32.13 O ATOM 0 H ASP A 499 -5.625 11.611 0.705 1.00 3.34 H new ATOM 0 HA ASP A 499 -5.999 11.006 3.459 1.00 11.12 H new ATOM 0 HB2 ASP A 499 -5.970 13.278 2.452 1.00 45.44 H new ATOM 0 HB3 ASP A 499 -7.430 12.901 1.558 1.00 45.44 H new ATOM 960 N ARG A 500 -8.382 10.355 1.337 1.00 32.04 N ATOM 961 CA ARG A 500 -9.601 9.648 1.093 1.00 14.40 C ATOM 962 C ARG A 500 -9.341 8.147 1.190 1.00 41.31 C ATOM 963 O ARG A 500 -10.147 7.400 1.745 1.00 75.04 O ATOM 964 CB ARG A 500 -10.077 10.010 -0.292 1.00 53.22 C ATOM 965 CG ARG A 500 -11.507 9.660 -0.597 1.00 51.11 C ATOM 966 CD ARG A 500 -12.481 10.435 0.276 1.00 73.30 C ATOM 967 NE ARG A 500 -13.851 10.315 -0.216 1.00 2.31 N ATOM 968 CZ ARG A 500 -14.954 10.590 0.456 1.00 21.03 C ATOM 969 NH1 ARG A 500 -14.896 10.940 1.739 1.00 33.23 N ATOM 970 NH2 ARG A 500 -16.119 10.516 -0.178 1.00 23.42 N ATOM 0 H ARG A 500 -8.011 10.829 0.514 1.00 32.04 H new ATOM 0 HA ARG A 500 -10.361 9.915 1.828 1.00 14.40 H new ATOM 0 HB2 ARG A 500 -9.946 11.083 -0.434 1.00 53.22 H new ATOM 0 HB3 ARG A 500 -9.436 9.512 -1.019 1.00 53.22 H new ATOM 0 HG2 ARG A 500 -11.716 9.869 -1.646 1.00 51.11 H new ATOM 0 HG3 ARG A 500 -11.658 8.591 -0.448 1.00 51.11 H new ATOM 0 HD2 ARG A 500 -12.427 10.065 1.300 1.00 73.30 H new ATOM 0 HD3 ARG A 500 -12.193 11.486 0.301 1.00 73.30 H new ATOM 0 HE ARG A 500 -13.967 9.986 -1.174 1.00 2.31 H new ATOM 0 HH11 ARG A 500 -13.994 10.998 2.212 1.00 33.23 H new ATOM 0 HH12 ARG A 500 -15.754 11.151 2.249 1.00 33.23 H new ATOM 0 HH21 ARG A 500 -16.148 10.251 -1.163 1.00 23.42 H new ATOM 0 HH22 ARG A 500 -16.985 10.724 0.320 1.00 23.42 H new ATOM 984 N ALA A 501 -8.186 7.737 0.682 1.00 61.02 N ATOM 985 CA ALA A 501 -7.769 6.346 0.713 1.00 25.24 C ATOM 986 C ALA A 501 -7.528 5.891 2.145 1.00 73.13 C ATOM 987 O ALA A 501 -7.872 4.772 2.511 1.00 21.23 O ATOM 988 CB ALA A 501 -6.520 6.136 -0.132 1.00 32.03 C ATOM 0 H ALA A 501 -7.513 8.362 0.237 1.00 61.02 H new ATOM 0 HA ALA A 501 -8.571 5.742 0.290 1.00 25.24 H new ATOM 0 HB1 ALA A 501 -6.227 5.087 -0.093 1.00 32.03 H new ATOM 0 HB2 ALA A 501 -6.728 6.417 -1.164 1.00 32.03 H new ATOM 0 HB3 ALA A 501 -5.710 6.754 0.256 1.00 32.03 H new ATOM 994 N PHE A 502 -6.960 6.776 2.956 1.00 21.00 N ATOM 995 CA PHE A 502 -6.703 6.485 4.353 1.00 43.42 C ATOM 996 C PHE A 502 -8.017 6.279 5.079 1.00 54.41 C ATOM 997 O PHE A 502 -8.151 5.351 5.864 1.00 35.01 O ATOM 998 CB PHE A 502 -5.887 7.613 5.016 1.00 52.51 C ATOM 999 CG PHE A 502 -5.475 7.329 6.444 1.00 73.43 C ATOM 1000 CD1 PHE A 502 -4.298 6.654 6.711 1.00 22.53 C ATOM 1001 CD2 PHE A 502 -6.262 7.736 7.509 1.00 0.41 C ATOM 1002 CE1 PHE A 502 -3.911 6.386 8.007 1.00 43.32 C ATOM 1003 CE2 PHE A 502 -5.881 7.470 8.807 1.00 63.52 C ATOM 1004 CZ PHE A 502 -4.705 6.795 9.058 1.00 64.30 C ATOM 0 H PHE A 502 -6.668 7.708 2.662 1.00 21.00 H new ATOM 0 HA PHE A 502 -6.112 5.571 4.415 1.00 43.42 H new ATOM 0 HB2 PHE A 502 -4.992 7.795 4.422 1.00 52.51 H new ATOM 0 HB3 PHE A 502 -6.475 8.531 4.996 1.00 52.51 H new ATOM 0 HD1 PHE A 502 -3.672 6.332 5.892 1.00 22.53 H new ATOM 0 HD2 PHE A 502 -7.183 8.267 7.321 1.00 0.41 H new ATOM 0 HE1 PHE A 502 -2.989 5.857 8.199 1.00 43.32 H new ATOM 0 HE2 PHE A 502 -6.504 7.791 9.628 1.00 63.52 H new ATOM 0 HZ PHE A 502 -4.406 6.587 10.075 1.00 64.30 H new ATOM 1014 N MET A 503 -8.994 7.129 4.784 1.00 61.01 N ATOM 1015 CA MET A 503 -10.320 7.015 5.389 1.00 11.42 C ATOM 1016 C MET A 503 -10.955 5.695 5.013 1.00 12.03 C ATOM 1017 O MET A 503 -11.531 5.004 5.861 1.00 71.44 O ATOM 1018 CB MET A 503 -11.246 8.154 4.952 1.00 31.43 C ATOM 1019 CG MET A 503 -10.815 9.539 5.378 1.00 63.10 C ATOM 1020 SD MET A 503 -11.932 10.827 4.767 1.00 3.33 S ATOM 1021 CE MET A 503 -13.460 10.403 5.612 1.00 22.51 C ATOM 0 H MET A 503 -8.895 7.905 4.130 1.00 61.01 H new ATOM 0 HA MET A 503 -10.186 7.073 6.469 1.00 11.42 H new ATOM 0 HB2 MET A 503 -11.329 8.136 3.865 1.00 31.43 H new ATOM 0 HB3 MET A 503 -12.242 7.963 5.351 1.00 31.43 H new ATOM 0 HG2 MET A 503 -10.772 9.585 6.466 1.00 63.10 H new ATOM 0 HG3 MET A 503 -9.807 9.732 5.011 1.00 63.10 H new ATOM 0 HE1 MET A 503 -14.141 11.254 5.582 1.00 22.51 H new ATOM 0 HE2 MET A 503 -13.924 9.549 5.118 1.00 22.51 H new ATOM 0 HE3 MET A 503 -13.243 10.149 6.650 1.00 22.51 H new ATOM 1031 N ALA A 504 -10.823 5.341 3.749 1.00 22.41 N ATOM 1032 CA ALA A 504 -11.366 4.105 3.242 1.00 73.01 C ATOM 1033 C ALA A 504 -10.696 2.908 3.909 1.00 41.14 C ATOM 1034 O ALA A 504 -11.369 1.984 4.341 1.00 22.23 O ATOM 1035 CB ALA A 504 -11.218 4.035 1.733 1.00 54.23 C ATOM 0 H ALA A 504 -10.337 5.903 3.050 1.00 22.41 H new ATOM 0 HA ALA A 504 -12.429 4.074 3.481 1.00 73.01 H new ATOM 0 HB1 ALA A 504 -11.634 3.095 1.370 1.00 54.23 H new ATOM 0 HB2 ALA A 504 -11.752 4.868 1.276 1.00 54.23 H new ATOM 0 HB3 ALA A 504 -10.162 4.091 1.468 1.00 54.23 H new ATOM 1041 N ALA A 505 -9.382 2.970 4.050 1.00 20.05 N ATOM 1042 CA ALA A 505 -8.608 1.883 4.646 1.00 13.34 C ATOM 1043 C ALA A 505 -8.873 1.767 6.132 1.00 25.53 C ATOM 1044 O ALA A 505 -8.793 0.687 6.704 1.00 34.34 O ATOM 1045 CB ALA A 505 -7.124 2.063 4.376 1.00 43.32 C ATOM 0 H ALA A 505 -8.820 3.769 3.757 1.00 20.05 H new ATOM 0 HA ALA A 505 -8.930 0.953 4.177 1.00 13.34 H new ATOM 0 HB1 ALA A 505 -6.569 1.242 4.830 1.00 43.32 H new ATOM 0 HB2 ALA A 505 -6.948 2.069 3.300 1.00 43.32 H new ATOM 0 HB3 ALA A 505 -6.788 3.008 4.804 1.00 43.32 H new ATOM 1051 N GLN A 506 -9.174 2.877 6.744 1.00 54.15 N ATOM 1052 CA GLN A 506 -9.517 2.931 8.144 1.00 32.12 C ATOM 1053 C GLN A 506 -10.871 2.298 8.376 1.00 53.40 C ATOM 1054 O GLN A 506 -11.029 1.449 9.263 1.00 50.13 O ATOM 1055 CB GLN A 506 -9.425 4.413 8.632 1.00 32.11 C ATOM 1056 CG GLN A 506 -9.924 4.757 10.050 1.00 4.04 C ATOM 1057 CD GLN A 506 -11.438 4.965 10.137 1.00 45.14 C ATOM 1058 OE1 GLN A 506 -12.197 4.046 10.413 1.00 44.42 O ATOM 1059 NE2 GLN A 506 -11.881 6.170 9.869 1.00 64.53 N ATOM 0 H GLN A 506 -9.189 3.786 6.281 1.00 54.15 H new ATOM 0 HA GLN A 506 -8.812 2.351 8.739 1.00 32.12 H new ATOM 0 HB2 GLN A 506 -8.381 4.719 8.566 1.00 32.11 H new ATOM 0 HB3 GLN A 506 -9.983 5.029 7.927 1.00 32.11 H new ATOM 0 HG2 GLN A 506 -9.637 3.956 10.731 1.00 4.04 H new ATOM 0 HG3 GLN A 506 -9.422 5.662 10.393 1.00 4.04 H new ATOM 0 HE21 GLN A 506 -11.224 6.916 9.642 1.00 64.53 H new ATOM 0 HE22 GLN A 506 -12.883 6.361 9.887 1.00 64.53 H new ATOM 1068 N LYS A 507 -11.829 2.656 7.552 1.00 12.20 N ATOM 1069 CA LYS A 507 -13.174 2.186 7.740 1.00 65.33 C ATOM 1070 C LYS A 507 -13.300 0.730 7.300 1.00 73.41 C ATOM 1071 O LYS A 507 -14.052 -0.048 7.886 1.00 11.23 O ATOM 1072 CB LYS A 507 -14.179 3.089 7.000 1.00 11.31 C ATOM 1073 CG LYS A 507 -15.660 2.929 7.411 1.00 24.05 C ATOM 1074 CD LYS A 507 -16.041 3.719 8.695 1.00 72.22 C ATOM 1075 CE LYS A 507 -15.274 3.280 9.941 1.00 44.30 C ATOM 1076 NZ LYS A 507 -15.694 4.010 11.150 1.00 63.43 N ATOM 0 H LYS A 507 -11.698 3.270 6.748 1.00 12.20 H new ATOM 0 HA LYS A 507 -13.411 2.234 8.803 1.00 65.33 H new ATOM 0 HB2 LYS A 507 -13.889 4.128 7.157 1.00 11.31 H new ATOM 0 HB3 LYS A 507 -14.095 2.893 5.931 1.00 11.31 H new ATOM 0 HG2 LYS A 507 -16.294 3.261 6.589 1.00 24.05 H new ATOM 0 HG3 LYS A 507 -15.872 1.872 7.569 1.00 24.05 H new ATOM 0 HD2 LYS A 507 -15.860 4.780 8.524 1.00 72.22 H new ATOM 0 HD3 LYS A 507 -17.109 3.603 8.878 1.00 72.22 H new ATOM 0 HE2 LYS A 507 -15.422 2.211 10.096 1.00 44.30 H new ATOM 0 HE3 LYS A 507 -14.207 3.434 9.780 1.00 44.30 H new ATOM 0 HZ1 LYS A 507 -15.144 3.675 11.966 1.00 63.43 H new ATOM 0 HZ2 LYS A 507 -15.529 5.028 11.016 1.00 63.43 H new ATOM 0 HZ3 LYS A 507 -16.706 3.843 11.322 1.00 63.43 H new ATOM 1090 N CYS A 508 -12.532 0.352 6.313 1.00 4.15 N ATOM 1091 CA CYS A 508 -12.581 -0.981 5.797 1.00 12.11 C ATOM 1092 C CYS A 508 -11.489 -1.876 6.412 1.00 65.41 C ATOM 1093 O CYS A 508 -11.253 -3.008 5.950 1.00 63.33 O ATOM 1094 CB CYS A 508 -12.506 -0.955 4.278 1.00 61.42 C ATOM 1095 SG CYS A 508 -13.736 0.135 3.517 1.00 65.41 S ATOM 0 H CYS A 508 -11.858 0.961 5.848 1.00 4.15 H new ATOM 0 HA CYS A 508 -13.535 -1.424 6.084 1.00 12.11 H new ATOM 0 HB2 CYS A 508 -11.509 -0.633 3.976 1.00 61.42 H new ATOM 0 HB3 CYS A 508 -12.643 -1.967 3.897 1.00 61.42 H new ATOM 0 HG CYS A 508 -14.412 -0.529 2.627 1.00 65.41 H new ATOM 1101 N HIS A 509 -10.796 -1.375 7.440 1.00 3.14 N ATOM 1102 CA HIS A 509 -9.860 -2.211 8.176 1.00 73.12 C ATOM 1103 C HIS A 509 -10.628 -3.353 8.859 1.00 60.21 C ATOM 1104 O HIS A 509 -11.323 -3.139 9.864 1.00 20.23 O ATOM 1105 CB HIS A 509 -9.064 -1.400 9.209 1.00 54.43 C ATOM 1106 CG HIS A 509 -8.047 -2.216 9.953 1.00 12.41 C ATOM 1107 ND1 HIS A 509 -8.034 -2.366 11.317 1.00 52.45 N ATOM 1108 CD2 HIS A 509 -6.998 -2.942 9.485 1.00 4.42 C ATOM 1109 CE1 HIS A 509 -7.009 -3.156 11.637 1.00 53.11 C ATOM 1110 NE2 HIS A 509 -6.344 -3.539 10.556 1.00 45.23 N ATOM 0 H HIS A 509 -10.867 -0.413 7.772 1.00 3.14 H new ATOM 0 HA HIS A 509 -9.139 -2.625 7.471 1.00 73.12 H new ATOM 0 HB2 HIS A 509 -8.559 -0.577 8.703 1.00 54.43 H new ATOM 0 HB3 HIS A 509 -9.757 -0.957 9.924 1.00 54.43 H new ATOM 0 HD2 HIS A 509 -6.717 -3.039 8.447 1.00 4.42 H new ATOM 0 HE1 HIS A 509 -6.754 -3.446 12.645 1.00 53.11 H new ATOM 0 HE2 HIS A 509 -5.524 -4.145 10.518 1.00 45.23 H new ATOM 1118 N LYS A 510 -10.542 -4.526 8.242 1.00 60.52 N ATOM 1119 CA LYS A 510 -11.214 -5.742 8.649 1.00 3.11 C ATOM 1120 C LYS A 510 -12.701 -5.499 8.771 1.00 13.50 C ATOM 1121 O LYS A 510 -13.272 -5.441 9.855 1.00 42.44 O ATOM 1122 CB LYS A 510 -10.596 -6.404 9.891 1.00 41.32 C ATOM 1123 CG LYS A 510 -11.135 -7.810 10.172 1.00 71.10 C ATOM 1124 CD LYS A 510 -10.397 -8.491 11.317 1.00 51.41 C ATOM 1125 CE LYS A 510 -10.880 -9.929 11.498 1.00 64.31 C ATOM 1126 NZ LYS A 510 -10.113 -10.654 12.535 1.00 32.10 N ATOM 0 H LYS A 510 -9.973 -4.655 7.405 1.00 60.52 H new ATOM 0 HA LYS A 510 -11.062 -6.480 7.862 1.00 3.11 H new ATOM 0 HB2 LYS A 510 -9.515 -6.458 9.763 1.00 41.32 H new ATOM 0 HB3 LYS A 510 -10.783 -5.772 10.759 1.00 41.32 H new ATOM 0 HG2 LYS A 510 -12.197 -7.749 10.412 1.00 71.10 H new ATOM 0 HG3 LYS A 510 -11.046 -8.418 9.272 1.00 71.10 H new ATOM 0 HD2 LYS A 510 -9.325 -8.485 11.119 1.00 51.41 H new ATOM 0 HD3 LYS A 510 -10.553 -7.932 12.239 1.00 51.41 H new ATOM 0 HE2 LYS A 510 -11.936 -9.924 11.768 1.00 64.31 H new ATOM 0 HE3 LYS A 510 -10.796 -10.460 10.550 1.00 64.31 H new ATOM 0 HZ1 LYS A 510 -10.477 -11.624 12.621 1.00 32.10 H new ATOM 0 HZ2 LYS A 510 -9.109 -10.684 12.267 1.00 32.10 H new ATOM 0 HZ3 LYS A 510 -10.213 -10.164 13.447 1.00 32.10 H new ATOM 1140 N LYS A 511 -13.277 -5.243 7.646 1.00 51.02 N ATOM 1141 CA LYS A 511 -14.667 -4.991 7.515 1.00 1.44 C ATOM 1142 C LYS A 511 -15.371 -6.258 7.100 1.00 33.04 C ATOM 1143 O LYS A 511 -14.839 -7.047 6.333 1.00 41.12 O ATOM 1144 CB LYS A 511 -14.893 -3.889 6.472 1.00 2.40 C ATOM 1145 CG LYS A 511 -16.355 -3.597 6.119 1.00 12.02 C ATOM 1146 CD LYS A 511 -17.157 -3.156 7.323 1.00 45.13 C ATOM 1147 CE LYS A 511 -18.624 -2.987 6.974 1.00 31.30 C ATOM 1148 NZ LYS A 511 -19.442 -2.641 8.152 1.00 1.32 N ATOM 0 H LYS A 511 -12.772 -5.203 6.761 1.00 51.02 H new ATOM 0 HA LYS A 511 -15.072 -4.659 8.471 1.00 1.44 H new ATOM 0 HB2 LYS A 511 -14.436 -2.969 6.838 1.00 2.40 H new ATOM 0 HB3 LYS A 511 -14.366 -4.165 5.559 1.00 2.40 H new ATOM 0 HG2 LYS A 511 -16.394 -2.821 5.355 1.00 12.02 H new ATOM 0 HG3 LYS A 511 -16.809 -4.490 5.690 1.00 12.02 H new ATOM 0 HD2 LYS A 511 -17.053 -3.891 8.121 1.00 45.13 H new ATOM 0 HD3 LYS A 511 -16.760 -2.214 7.702 1.00 45.13 H new ATOM 0 HE2 LYS A 511 -18.729 -2.207 6.220 1.00 31.30 H new ATOM 0 HE3 LYS A 511 -18.999 -3.910 6.532 1.00 31.30 H new ATOM 0 HZ1 LYS A 511 -20.436 -2.536 7.865 1.00 1.32 H new ATOM 0 HZ2 LYS A 511 -19.365 -3.397 8.862 1.00 1.32 H new ATOM 0 HZ3 LYS A 511 -19.103 -1.746 8.560 1.00 1.32 H new ATOM 1162 N ASN A 512 -16.533 -6.472 7.628 1.00 33.41 N ATOM 1163 CA ASN A 512 -17.331 -7.599 7.218 1.00 13.23 C ATOM 1164 C ASN A 512 -18.252 -7.147 6.109 1.00 71.41 C ATOM 1165 O ASN A 512 -19.088 -6.258 6.297 1.00 34.53 O ATOM 1166 CB ASN A 512 -18.146 -8.220 8.372 1.00 61.25 C ATOM 1167 CG ASN A 512 -17.324 -8.981 9.421 1.00 51.40 C ATOM 1168 OD1 ASN A 512 -17.812 -9.933 10.034 1.00 15.33 O ATOM 1169 ND2 ASN A 512 -16.105 -8.574 9.658 1.00 70.13 N ATOM 0 H ASN A 512 -16.957 -5.884 8.346 1.00 33.41 H new ATOM 0 HA ASN A 512 -16.657 -8.383 6.873 1.00 13.23 H new ATOM 0 HB2 ASN A 512 -18.698 -7.425 8.874 1.00 61.25 H new ATOM 0 HB3 ASN A 512 -18.884 -8.902 7.948 1.00 61.25 H new ATOM 0 HD21 ASN A 512 -15.537 -9.046 10.362 1.00 70.13 H new ATOM 0 HD22 ASN A 512 -15.721 -7.784 9.139 1.00 70.13 H new ATOM 1176 N MET A 513 -18.067 -7.717 4.962 1.00 42.02 N ATOM 1177 CA MET A 513 -18.843 -7.401 3.800 1.00 30.14 C ATOM 1178 C MET A 513 -19.829 -8.519 3.602 1.00 32.24 C ATOM 1179 O MET A 513 -19.442 -9.619 3.165 1.00 23.02 O ATOM 1180 CB MET A 513 -17.938 -7.273 2.571 1.00 14.12 C ATOM 1181 CG MET A 513 -18.678 -6.930 1.287 1.00 71.23 C ATOM 1182 SD MET A 513 -17.584 -6.871 -0.141 1.00 45.21 S ATOM 1183 CE MET A 513 -18.745 -6.435 -1.428 1.00 21.25 C ATOM 0 H MET A 513 -17.357 -8.431 4.800 1.00 42.02 H new ATOM 0 HA MET A 513 -19.358 -6.450 3.933 1.00 30.14 H new ATOM 0 HB2 MET A 513 -17.190 -6.504 2.763 1.00 14.12 H new ATOM 0 HB3 MET A 513 -17.402 -8.211 2.429 1.00 14.12 H new ATOM 0 HG2 MET A 513 -19.459 -7.670 1.112 1.00 71.23 H new ATOM 0 HG3 MET A 513 -19.173 -5.966 1.402 1.00 71.23 H new ATOM 0 HE1 MET A 513 -18.234 -5.859 -2.199 1.00 21.25 H new ATOM 0 HE2 MET A 513 -19.159 -7.343 -1.867 1.00 21.25 H new ATOM 0 HE3 MET A 513 -19.551 -5.837 -1.003 1.00 21.25 H new ATOM 1193 N LYS A 514 -21.082 -8.256 3.959 1.00 70.11 N ATOM 1194 CA LYS A 514 -22.175 -9.237 3.933 1.00 14.03 C ATOM 1195 C LYS A 514 -21.929 -10.315 4.991 1.00 5.33 C ATOM 1196 O LYS A 514 -22.504 -10.269 6.076 1.00 12.33 O ATOM 1197 CB LYS A 514 -22.364 -9.845 2.529 1.00 75.44 C ATOM 1198 CG LYS A 514 -22.646 -8.813 1.441 1.00 45.53 C ATOM 1199 CD LYS A 514 -22.656 -9.461 0.074 1.00 75.43 C ATOM 1200 CE LYS A 514 -22.676 -8.428 -1.045 1.00 45.54 C ATOM 1201 NZ LYS A 514 -22.549 -9.068 -2.375 1.00 54.22 N ATOM 0 H LYS A 514 -21.378 -7.335 4.283 1.00 70.11 H new ATOM 0 HA LYS A 514 -23.106 -8.724 4.173 1.00 14.03 H new ATOM 0 HB2 LYS A 514 -21.467 -10.404 2.262 1.00 75.44 H new ATOM 0 HB3 LYS A 514 -23.187 -10.559 2.561 1.00 75.44 H new ATOM 0 HG2 LYS A 514 -23.607 -8.334 1.628 1.00 45.53 H new ATOM 0 HG3 LYS A 514 -21.888 -8.030 1.471 1.00 45.53 H new ATOM 0 HD2 LYS A 514 -21.776 -10.095 -0.033 1.00 75.43 H new ATOM 0 HD3 LYS A 514 -23.528 -10.109 -0.014 1.00 75.43 H new ATOM 0 HE2 LYS A 514 -23.605 -7.859 -1.001 1.00 45.54 H new ATOM 0 HE3 LYS A 514 -21.861 -7.719 -0.902 1.00 45.54 H new ATOM 0 HZ1 LYS A 514 -22.229 -8.364 -3.070 1.00 54.22 H new ATOM 0 HZ2 LYS A 514 -21.856 -9.842 -2.323 1.00 54.22 H new ATOM 0 HZ3 LYS A 514 -23.472 -9.448 -2.667 1.00 54.22 H new ATOM 1215 N ASP A 515 -21.048 -11.231 4.680 1.00 2.44 N ATOM 1216 CA ASP A 515 -20.625 -12.286 5.598 1.00 60.22 C ATOM 1217 C ASP A 515 -19.091 -12.459 5.570 1.00 43.44 C ATOM 1218 O ASP A 515 -18.496 -13.045 6.469 1.00 0.14 O ATOM 1219 CB ASP A 515 -21.343 -13.622 5.280 1.00 14.43 C ATOM 1220 CG ASP A 515 -20.953 -14.780 6.204 1.00 15.32 C ATOM 1221 OD1 ASP A 515 -20.155 -15.657 5.787 1.00 24.53 O ATOM 1222 OD2 ASP A 515 -21.442 -14.835 7.357 1.00 13.24 O ATOM 0 H ASP A 515 -20.590 -11.275 3.770 1.00 2.44 H new ATOM 0 HA ASP A 515 -20.910 -11.987 6.607 1.00 60.22 H new ATOM 0 HB2 ASP A 515 -22.420 -13.467 5.345 1.00 14.43 H new ATOM 0 HB3 ASP A 515 -21.123 -13.904 4.250 1.00 14.43 H new ATOM 1227 N ARG A 516 -18.463 -11.852 4.598 1.00 13.33 N ATOM 1228 CA ARG A 516 -17.041 -12.049 4.339 1.00 62.53 C ATOM 1229 C ARG A 516 -16.232 -11.055 5.146 1.00 34.23 C ATOM 1230 O ARG A 516 -16.705 -9.980 5.453 1.00 50.33 O ATOM 1231 CB ARG A 516 -16.776 -11.818 2.854 1.00 60.22 C ATOM 1232 CG ARG A 516 -15.350 -12.054 2.384 1.00 12.41 C ATOM 1233 CD ARG A 516 -14.934 -13.502 2.497 1.00 42.54 C ATOM 1234 NE ARG A 516 -13.561 -13.699 2.041 1.00 22.03 N ATOM 1235 CZ ARG A 516 -12.947 -14.885 1.957 1.00 1.53 C ATOM 1236 NH1 ARG A 516 -13.622 -16.005 2.210 1.00 72.14 N ATOM 1237 NH2 ARG A 516 -11.671 -14.955 1.579 1.00 50.30 N ATOM 0 H ARG A 516 -18.915 -11.202 3.955 1.00 13.33 H new ATOM 0 HA ARG A 516 -16.754 -13.062 4.621 1.00 62.53 H new ATOM 0 HB2 ARG A 516 -17.438 -12.469 2.282 1.00 60.22 H new ATOM 0 HB3 ARG A 516 -17.051 -10.791 2.612 1.00 60.22 H new ATOM 0 HG2 ARG A 516 -15.255 -11.732 1.347 1.00 12.41 H new ATOM 0 HG3 ARG A 516 -14.671 -11.437 2.972 1.00 12.41 H new ATOM 0 HD2 ARG A 516 -15.025 -13.829 3.533 1.00 42.54 H new ATOM 0 HD3 ARG A 516 -15.608 -14.123 1.906 1.00 42.54 H new ATOM 0 HE ARG A 516 -13.031 -12.872 1.766 1.00 22.03 H new ATOM 0 HH11 ARG A 516 -14.608 -15.959 2.468 1.00 72.14 H new ATOM 0 HH12 ARG A 516 -13.153 -16.909 2.146 1.00 72.14 H new ATOM 0 HH21 ARG A 516 -11.159 -14.103 1.352 1.00 50.30 H new ATOM 0 HH22 ARG A 516 -11.207 -15.861 1.516 1.00 50.30 H new ATOM 1251 N TYR A 517 -15.031 -11.402 5.468 1.00 0.03 N ATOM 1252 CA TYR A 517 -14.167 -10.516 6.192 1.00 72.44 C ATOM 1253 C TYR A 517 -13.134 -9.987 5.210 1.00 14.53 C ATOM 1254 O TYR A 517 -12.380 -10.764 4.629 1.00 23.41 O ATOM 1255 CB TYR A 517 -13.425 -11.254 7.299 1.00 12.22 C ATOM 1256 CG TYR A 517 -14.238 -12.265 8.089 1.00 21.03 C ATOM 1257 CD1 TYR A 517 -15.365 -11.896 8.807 1.00 34.12 C ATOM 1258 CD2 TYR A 517 -13.853 -13.595 8.121 1.00 14.34 C ATOM 1259 CE1 TYR A 517 -16.087 -12.829 9.533 1.00 11.13 C ATOM 1260 CE2 TYR A 517 -14.566 -14.529 8.839 1.00 10.02 C ATOM 1261 CZ TYR A 517 -15.682 -14.145 9.543 1.00 32.41 C ATOM 1262 OH TYR A 517 -16.398 -15.083 10.269 1.00 13.22 O ATOM 0 H TYR A 517 -14.616 -12.305 5.240 1.00 0.03 H new ATOM 0 HA TYR A 517 -14.762 -9.720 6.640 1.00 72.44 H new ATOM 0 HB2 TYR A 517 -12.573 -11.770 6.856 1.00 12.22 H new ATOM 0 HB3 TYR A 517 -13.025 -10.516 7.995 1.00 12.22 H new ATOM 0 HD1 TYR A 517 -15.685 -10.865 8.800 1.00 34.12 H new ATOM 0 HD2 TYR A 517 -12.976 -13.906 7.572 1.00 14.34 H new ATOM 0 HE1 TYR A 517 -16.963 -12.526 10.088 1.00 11.13 H new ATOM 0 HE2 TYR A 517 -14.249 -15.561 8.849 1.00 10.02 H new ATOM 0 HH TYR A 517 -15.979 -15.963 10.169 1.00 13.22 H new ATOM 1272 N VAL A 518 -13.116 -8.715 5.004 1.00 11.44 N ATOM 1273 CA VAL A 518 -12.192 -8.098 4.099 1.00 53.24 C ATOM 1274 C VAL A 518 -11.240 -7.198 4.893 1.00 32.05 C ATOM 1275 O VAL A 518 -11.670 -6.239 5.542 1.00 40.23 O ATOM 1276 CB VAL A 518 -12.947 -7.256 3.045 1.00 35.11 C ATOM 1277 CG1 VAL A 518 -11.981 -6.612 2.056 1.00 21.02 C ATOM 1278 CG2 VAL A 518 -13.980 -8.101 2.300 1.00 44.41 C ATOM 0 H VAL A 518 -13.749 -8.060 5.463 1.00 11.44 H new ATOM 0 HA VAL A 518 -11.627 -8.873 3.582 1.00 53.24 H new ATOM 0 HB VAL A 518 -13.471 -6.463 3.578 1.00 35.11 H new ATOM 0 HG11 VAL A 518 -12.542 -6.027 1.328 1.00 21.02 H new ATOM 0 HG12 VAL A 518 -11.292 -5.959 2.593 1.00 21.02 H new ATOM 0 HG13 VAL A 518 -11.417 -7.389 1.540 1.00 21.02 H new ATOM 0 HG21 VAL A 518 -14.495 -7.482 1.565 1.00 44.41 H new ATOM 0 HG22 VAL A 518 -13.478 -8.925 1.792 1.00 44.41 H new ATOM 0 HG23 VAL A 518 -14.704 -8.500 3.010 1.00 44.41 H new ATOM 1288 N GLU A 519 -9.981 -7.526 4.865 1.00 63.31 N ATOM 1289 CA GLU A 519 -8.968 -6.779 5.551 1.00 23.55 C ATOM 1290 C GLU A 519 -8.337 -5.809 4.573 1.00 25.04 C ATOM 1291 O GLU A 519 -7.695 -6.213 3.611 1.00 2.35 O ATOM 1292 CB GLU A 519 -7.927 -7.727 6.151 1.00 24.21 C ATOM 1293 CG GLU A 519 -6.808 -7.030 6.901 1.00 53.12 C ATOM 1294 CD GLU A 519 -5.892 -7.998 7.601 1.00 60.40 C ATOM 1295 OE1 GLU A 519 -4.896 -8.476 6.991 1.00 4.25 O ATOM 1296 OE2 GLU A 519 -6.153 -8.306 8.779 1.00 61.32 O ATOM 0 H GLU A 519 -9.624 -8.334 4.356 1.00 63.31 H new ATOM 0 HA GLU A 519 -9.407 -6.216 6.375 1.00 23.55 H new ATOM 0 HB2 GLU A 519 -8.429 -8.417 6.829 1.00 24.21 H new ATOM 0 HB3 GLU A 519 -7.494 -8.326 5.350 1.00 24.21 H new ATOM 0 HG2 GLU A 519 -6.228 -6.426 6.203 1.00 53.12 H new ATOM 0 HG3 GLU A 519 -7.237 -6.346 7.634 1.00 53.12 H new ATOM 1303 N VAL A 520 -8.588 -4.550 4.777 1.00 22.13 N ATOM 1304 CA VAL A 520 -8.090 -3.528 3.903 1.00 12.31 C ATOM 1305 C VAL A 520 -6.920 -2.749 4.538 1.00 62.01 C ATOM 1306 O VAL A 520 -6.967 -2.389 5.723 1.00 61.23 O ATOM 1307 CB VAL A 520 -9.248 -2.571 3.533 1.00 61.50 C ATOM 1308 CG1 VAL A 520 -8.789 -1.447 2.655 1.00 33.34 C ATOM 1309 CG2 VAL A 520 -10.370 -3.343 2.859 1.00 53.44 C ATOM 0 H VAL A 520 -9.146 -4.201 5.557 1.00 22.13 H new ATOM 0 HA VAL A 520 -7.701 -4.002 3.002 1.00 12.31 H new ATOM 0 HB VAL A 520 -9.619 -2.130 4.458 1.00 61.50 H new ATOM 0 HG11 VAL A 520 -9.634 -0.800 2.420 1.00 33.34 H new ATOM 0 HG12 VAL A 520 -8.023 -0.870 3.173 1.00 33.34 H new ATOM 0 HG13 VAL A 520 -8.375 -1.852 1.732 1.00 33.34 H new ATOM 0 HG21 VAL A 520 -11.179 -2.659 2.603 1.00 53.44 H new ATOM 0 HG22 VAL A 520 -9.993 -3.815 1.952 1.00 53.44 H new ATOM 0 HG23 VAL A 520 -10.743 -4.109 3.538 1.00 53.44 H new ATOM 1319 N PHE A 521 -5.881 -2.529 3.747 1.00 1.53 N ATOM 1320 CA PHE A 521 -4.706 -1.741 4.126 1.00 11.54 C ATOM 1321 C PHE A 521 -4.475 -0.666 3.092 1.00 52.51 C ATOM 1322 O PHE A 521 -4.973 -0.765 1.988 1.00 4.00 O ATOM 1323 CB PHE A 521 -3.438 -2.605 4.214 1.00 61.41 C ATOM 1324 CG PHE A 521 -3.340 -3.468 5.427 1.00 24.01 C ATOM 1325 CD1 PHE A 521 -3.785 -4.770 5.414 1.00 72.13 C ATOM 1326 CD2 PHE A 521 -2.780 -2.966 6.589 1.00 42.55 C ATOM 1327 CE1 PHE A 521 -3.675 -5.555 6.536 1.00 10.11 C ATOM 1328 CE2 PHE A 521 -2.671 -3.750 7.713 1.00 4.11 C ATOM 1329 CZ PHE A 521 -3.118 -5.047 7.688 1.00 44.44 C ATOM 0 H PHE A 521 -5.825 -2.901 2.799 1.00 1.53 H new ATOM 0 HA PHE A 521 -4.901 -1.311 5.108 1.00 11.54 H new ATOM 0 HB2 PHE A 521 -3.389 -3.241 3.330 1.00 61.41 H new ATOM 0 HB3 PHE A 521 -2.568 -1.949 4.183 1.00 61.41 H new ATOM 0 HD1 PHE A 521 -4.224 -5.178 4.515 1.00 72.13 H new ATOM 0 HD2 PHE A 521 -2.425 -1.946 6.613 1.00 42.55 H new ATOM 0 HE1 PHE A 521 -4.027 -6.576 6.514 1.00 10.11 H new ATOM 0 HE2 PHE A 521 -2.234 -3.346 8.614 1.00 4.11 H new ATOM 0 HZ PHE A 521 -3.033 -5.667 8.568 1.00 44.44 H new ATOM 1339 N GLN A 522 -3.715 0.329 3.434 1.00 41.12 N ATOM 1340 CA GLN A 522 -3.401 1.405 2.524 1.00 33.01 C ATOM 1341 C GLN A 522 -2.011 1.175 1.954 1.00 64.53 C ATOM 1342 O GLN A 522 -1.203 0.436 2.545 1.00 12.25 O ATOM 1343 CB GLN A 522 -3.474 2.739 3.249 1.00 34.21 C ATOM 1344 CG GLN A 522 -3.267 3.930 2.346 1.00 54.32 C ATOM 1345 CD GLN A 522 -3.295 5.220 3.078 1.00 73.24 C ATOM 1346 OE1 GLN A 522 -2.937 5.298 4.247 1.00 61.35 O ATOM 1347 NE2 GLN A 522 -3.668 6.244 2.403 1.00 32.20 N ATOM 0 H GLN A 522 -3.289 0.425 4.356 1.00 41.12 H new ATOM 0 HA GLN A 522 -4.124 1.426 1.708 1.00 33.01 H new ATOM 0 HB2 GLN A 522 -4.446 2.826 3.734 1.00 34.21 H new ATOM 0 HB3 GLN A 522 -2.721 2.756 4.037 1.00 34.21 H new ATOM 0 HG2 GLN A 522 -2.310 3.829 1.834 1.00 54.32 H new ATOM 0 HG3 GLN A 522 -4.041 3.937 1.578 1.00 54.32 H new ATOM 0 HE21 GLN A 522 -3.959 6.136 1.431 1.00 32.20 H new ATOM 0 HE22 GLN A 522 -3.674 7.167 2.838 1.00 32.20 H new ATOM 1356 N CYS A 523 -1.735 1.761 0.812 1.00 40.25 N ATOM 1357 CA CYS A 523 -0.470 1.593 0.172 1.00 65.22 C ATOM 1358 C CYS A 523 -0.167 2.737 -0.762 1.00 30.34 C ATOM 1359 O CYS A 523 -1.034 3.537 -1.113 1.00 2.31 O ATOM 1360 CB CYS A 523 -0.383 0.246 -0.552 1.00 52.25 C ATOM 1361 SG CYS A 523 -1.801 -0.131 -1.593 1.00 12.50 S ATOM 0 H CYS A 523 -2.386 2.364 0.309 1.00 40.25 H new ATOM 0 HA CYS A 523 0.291 1.597 0.952 1.00 65.22 H new ATOM 0 HB2 CYS A 523 0.517 0.235 -1.167 1.00 52.25 H new ATOM 0 HB3 CYS A 523 -0.272 -0.545 0.190 1.00 52.25 H new ATOM 0 HG CYS A 523 -1.477 -1.053 -2.450 1.00 12.50 H new ATOM 1367 N SER A 524 1.052 2.832 -1.108 1.00 25.35 N ATOM 1368 CA SER A 524 1.521 3.823 -2.007 1.00 50.03 C ATOM 1369 C SER A 524 1.617 3.218 -3.377 1.00 35.41 C ATOM 1370 O SER A 524 1.700 1.990 -3.505 1.00 63.51 O ATOM 1371 CB SER A 524 2.899 4.284 -1.547 1.00 32.13 C ATOM 1372 OG SER A 524 2.922 4.463 -0.138 1.00 62.45 O ATOM 0 H SER A 524 1.782 2.206 -0.767 1.00 25.35 H new ATOM 0 HA SER A 524 0.842 4.675 -2.031 1.00 50.03 H new ATOM 0 HB2 SER A 524 3.650 3.549 -1.838 1.00 32.13 H new ATOM 0 HB3 SER A 524 3.159 5.219 -2.042 1.00 32.13 H new ATOM 0 HG SER A 524 3.220 3.634 0.292 1.00 62.45 H new ATOM 1378 N ALA A 525 1.613 4.057 -4.394 1.00 42.12 N ATOM 1379 CA ALA A 525 1.832 3.590 -5.772 1.00 72.23 C ATOM 1380 C ALA A 525 3.179 2.865 -5.841 1.00 11.51 C ATOM 1381 O ALA A 525 3.350 1.879 -6.546 1.00 50.32 O ATOM 1382 CB ALA A 525 1.823 4.763 -6.733 1.00 45.13 C ATOM 0 H ALA A 525 1.463 5.062 -4.306 1.00 42.12 H new ATOM 0 HA ALA A 525 1.031 2.908 -6.057 1.00 72.23 H new ATOM 0 HB1 ALA A 525 1.986 4.403 -7.749 1.00 45.13 H new ATOM 0 HB2 ALA A 525 0.860 5.271 -6.678 1.00 45.13 H new ATOM 0 HB3 ALA A 525 2.616 5.460 -6.464 1.00 45.13 H new ATOM 1388 N GLU A 526 4.105 3.359 -5.041 1.00 34.11 N ATOM 1389 CA GLU A 526 5.430 2.802 -4.888 1.00 0.21 C ATOM 1390 C GLU A 526 5.346 1.370 -4.323 1.00 44.30 C ATOM 1391 O GLU A 526 6.034 0.470 -4.792 1.00 2.44 O ATOM 1392 CB GLU A 526 6.217 3.720 -3.960 1.00 1.32 C ATOM 1393 CG GLU A 526 7.673 3.378 -3.773 1.00 11.13 C ATOM 1394 CD GLU A 526 8.338 4.360 -2.848 1.00 64.43 C ATOM 1395 OE1 GLU A 526 8.647 3.996 -1.703 1.00 43.45 O ATOM 1396 OE2 GLU A 526 8.520 5.515 -3.242 1.00 23.31 O ATOM 0 H GLU A 526 3.948 4.185 -4.463 1.00 34.11 H new ATOM 0 HA GLU A 526 5.934 2.737 -5.852 1.00 0.21 H new ATOM 0 HB2 GLU A 526 6.150 4.738 -4.345 1.00 1.32 H new ATOM 0 HB3 GLU A 526 5.735 3.716 -2.983 1.00 1.32 H new ATOM 0 HG2 GLU A 526 7.765 2.370 -3.368 1.00 11.13 H new ATOM 0 HG3 GLU A 526 8.179 3.381 -4.739 1.00 11.13 H new ATOM 1403 N GLU A 527 4.457 1.172 -3.355 1.00 13.40 N ATOM 1404 CA GLU A 527 4.240 -0.134 -2.750 1.00 21.04 C ATOM 1405 C GLU A 527 3.562 -1.067 -3.747 1.00 25.12 C ATOM 1406 O GLU A 527 3.871 -2.240 -3.800 1.00 24.20 O ATOM 1407 CB GLU A 527 3.406 -0.016 -1.471 1.00 12.40 C ATOM 1408 CG GLU A 527 4.114 0.682 -0.317 1.00 31.00 C ATOM 1409 CD GLU A 527 3.186 0.958 0.841 1.00 4.21 C ATOM 1410 OE1 GLU A 527 2.950 0.075 1.677 1.00 33.42 O ATOM 1411 OE2 GLU A 527 2.652 2.081 0.910 1.00 73.45 O ATOM 0 H GLU A 527 3.869 1.911 -2.970 1.00 13.40 H new ATOM 0 HA GLU A 527 5.210 -0.552 -2.479 1.00 21.04 H new ATOM 0 HB2 GLU A 527 2.489 0.527 -1.699 1.00 12.40 H new ATOM 0 HB3 GLU A 527 3.113 -1.016 -1.150 1.00 12.40 H new ATOM 0 HG2 GLU A 527 4.944 0.063 0.025 1.00 31.00 H new ATOM 0 HG3 GLU A 527 4.540 1.621 -0.670 1.00 31.00 H new ATOM 1418 N MET A 528 2.658 -0.521 -4.558 1.00 24.10 N ATOM 1419 CA MET A 528 1.992 -1.308 -5.605 1.00 32.33 C ATOM 1420 C MET A 528 3.024 -1.774 -6.608 1.00 42.45 C ATOM 1421 O MET A 528 3.030 -2.938 -7.020 1.00 30.53 O ATOM 1422 CB MET A 528 0.899 -0.495 -6.323 1.00 14.23 C ATOM 1423 CG MET A 528 0.166 -1.284 -7.416 1.00 1.12 C ATOM 1424 SD MET A 528 -0.979 -0.280 -8.404 1.00 63.00 S ATOM 1425 CE MET A 528 -2.110 0.320 -7.146 1.00 32.22 C ATOM 0 H MET A 528 2.368 0.456 -4.515 1.00 24.10 H new ATOM 0 HA MET A 528 1.510 -2.164 -5.133 1.00 32.33 H new ATOM 0 HB2 MET A 528 0.173 -0.149 -5.587 1.00 14.23 H new ATOM 0 HB3 MET A 528 1.350 0.392 -6.767 1.00 14.23 H new ATOM 0 HG2 MET A 528 0.903 -1.737 -8.080 1.00 1.12 H new ATOM 0 HG3 MET A 528 -0.389 -2.100 -6.952 1.00 1.12 H new ATOM 0 HE1 MET A 528 -2.836 0.994 -7.601 1.00 32.22 H new ATOM 0 HE2 MET A 528 -2.631 -0.523 -6.693 1.00 32.22 H new ATOM 0 HE3 MET A 528 -1.550 0.855 -6.379 1.00 32.22 H new ATOM 1435 N ASN A 529 3.909 -0.862 -6.970 1.00 41.54 N ATOM 1436 CA ASN A 529 4.994 -1.152 -7.890 1.00 12.40 C ATOM 1437 C ASN A 529 5.895 -2.230 -7.295 1.00 62.42 C ATOM 1438 O ASN A 529 6.315 -3.144 -7.980 1.00 54.12 O ATOM 1439 CB ASN A 529 5.803 0.117 -8.177 1.00 71.54 C ATOM 1440 CG ASN A 529 6.894 -0.087 -9.215 1.00 74.14 C ATOM 1441 OD1 ASN A 529 6.760 -0.896 -10.140 1.00 42.31 O ATOM 1442 ND2 ASN A 529 7.977 0.636 -9.070 1.00 41.31 N ATOM 0 H ASN A 529 3.895 0.101 -6.634 1.00 41.54 H new ATOM 0 HA ASN A 529 4.577 -1.513 -8.830 1.00 12.40 H new ATOM 0 HB2 ASN A 529 5.127 0.901 -8.520 1.00 71.54 H new ATOM 0 HB3 ASN A 529 6.255 0.469 -7.250 1.00 71.54 H new ATOM 0 HD21 ASN A 529 8.746 0.541 -9.733 1.00 41.31 H new ATOM 0 HD22 ASN A 529 8.051 1.293 -8.294 1.00 41.31 H new ATOM 1449 N PHE A 530 6.138 -2.132 -5.995 1.00 42.04 N ATOM 1450 CA PHE A 530 6.941 -3.105 -5.273 1.00 4.42 C ATOM 1451 C PHE A 530 6.267 -4.485 -5.293 1.00 25.24 C ATOM 1452 O PHE A 530 6.924 -5.499 -5.501 1.00 63.23 O ATOM 1453 CB PHE A 530 7.173 -2.636 -3.835 1.00 34.45 C ATOM 1454 CG PHE A 530 8.081 -3.521 -3.026 1.00 0.43 C ATOM 1455 CD1 PHE A 530 9.455 -3.472 -3.206 1.00 35.43 C ATOM 1456 CD2 PHE A 530 7.565 -4.393 -2.079 1.00 63.11 C ATOM 1457 CE1 PHE A 530 10.295 -4.272 -2.460 1.00 14.11 C ATOM 1458 CE2 PHE A 530 8.403 -5.197 -1.332 1.00 21.34 C ATOM 1459 CZ PHE A 530 9.769 -5.136 -1.522 1.00 3.33 C ATOM 0 H PHE A 530 5.783 -1.374 -5.412 1.00 42.04 H new ATOM 0 HA PHE A 530 7.908 -3.194 -5.768 1.00 4.42 H new ATOM 0 HB2 PHE A 530 7.594 -1.631 -3.858 1.00 34.45 H new ATOM 0 HB3 PHE A 530 6.210 -2.567 -3.329 1.00 34.45 H new ATOM 0 HD1 PHE A 530 9.873 -2.799 -3.940 1.00 35.43 H new ATOM 0 HD2 PHE A 530 6.497 -4.444 -1.924 1.00 63.11 H new ATOM 0 HE1 PHE A 530 11.363 -4.222 -2.610 1.00 14.11 H new ATOM 0 HE2 PHE A 530 7.990 -5.874 -0.599 1.00 21.34 H new ATOM 0 HZ PHE A 530 10.425 -5.764 -0.937 1.00 3.33 H new ATOM 1469 N VAL A 531 4.958 -4.509 -5.118 1.00 24.30 N ATOM 1470 CA VAL A 531 4.200 -5.751 -5.148 1.00 24.04 C ATOM 1471 C VAL A 531 4.251 -6.379 -6.550 1.00 10.42 C ATOM 1472 O VAL A 531 4.237 -7.590 -6.700 1.00 63.22 O ATOM 1473 CB VAL A 531 2.724 -5.570 -4.647 1.00 51.33 C ATOM 1474 CG1 VAL A 531 1.923 -6.867 -4.767 1.00 53.23 C ATOM 1475 CG2 VAL A 531 2.719 -5.105 -3.197 1.00 62.51 C ATOM 0 H VAL A 531 4.392 -3.677 -4.952 1.00 24.30 H new ATOM 0 HA VAL A 531 4.674 -6.438 -4.447 1.00 24.04 H new ATOM 0 HB VAL A 531 2.252 -4.819 -5.280 1.00 51.33 H new ATOM 0 HG11 VAL A 531 0.906 -6.701 -4.410 1.00 53.23 H new ATOM 0 HG12 VAL A 531 1.895 -7.182 -5.810 1.00 53.23 H new ATOM 0 HG13 VAL A 531 2.396 -7.644 -4.166 1.00 53.23 H new ATOM 0 HG21 VAL A 531 1.690 -4.982 -2.858 1.00 62.51 H new ATOM 0 HG22 VAL A 531 3.220 -5.847 -2.575 1.00 62.51 H new ATOM 0 HG23 VAL A 531 3.243 -4.153 -3.119 1.00 62.51 H new ATOM 1485 N LEU A 532 4.336 -5.561 -7.562 1.00 62.42 N ATOM 1486 CA LEU A 532 4.484 -6.070 -8.913 1.00 71.44 C ATOM 1487 C LEU A 532 5.945 -6.501 -9.190 1.00 15.11 C ATOM 1488 O LEU A 532 6.202 -7.515 -9.850 1.00 23.12 O ATOM 1489 CB LEU A 532 4.036 -5.019 -9.938 1.00 3.34 C ATOM 1490 CG LEU A 532 2.576 -4.541 -9.836 1.00 60.53 C ATOM 1491 CD1 LEU A 532 2.294 -3.461 -10.869 1.00 73.44 C ATOM 1492 CD2 LEU A 532 1.605 -5.707 -10.007 1.00 31.44 C ATOM 0 H LEU A 532 4.306 -4.544 -7.487 1.00 62.42 H new ATOM 0 HA LEU A 532 3.846 -6.948 -9.011 1.00 71.44 H new ATOM 0 HB2 LEU A 532 4.687 -4.150 -9.843 1.00 3.34 H new ATOM 0 HB3 LEU A 532 4.193 -5.427 -10.936 1.00 3.34 H new ATOM 0 HG LEU A 532 2.429 -4.119 -8.842 1.00 60.53 H new ATOM 0 HD11 LEU A 532 1.257 -3.136 -10.782 1.00 73.44 H new ATOM 0 HD12 LEU A 532 2.956 -2.612 -10.698 1.00 73.44 H new ATOM 0 HD13 LEU A 532 2.466 -3.860 -11.869 1.00 73.44 H new ATOM 0 HD21 LEU A 532 0.581 -5.342 -9.931 1.00 31.44 H new ATOM 0 HD22 LEU A 532 1.755 -6.165 -10.985 1.00 31.44 H new ATOM 0 HD23 LEU A 532 1.785 -6.448 -9.228 1.00 31.44 H new