USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 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 Single : A 446 CYS SG : rot 37:sc= -0.561 USER MOD Single : A 454 TYR OH : rot 180:sc= 0 USER MOD Single : A 457 THR OG1 : rot 180:sc= 0.00989 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= -0.0671 X(o=-0.067,f=-0.067) USER MOD Single : A 478 HIS : no HE2:sc= 0.019 X(o=0.019,f=-0.17) USER MOD Single : A 479 MET CE :methyl 156:sc= -0.0672 (180deg=-0.792) USER MOD Single : A 482 ASN : amide:sc= -0.426 K(o=-0.43,f=-7.6!) USER MOD Single : A 483 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 484 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 488 SER OG : rot 82:sc= -0.738 USER MOD Single : A 494 GLN : amide:sc= -0.484 K(o=-0.48,f=-2.9!) USER MOD Single : A 495 MET CE :methyl 173:sc= -0.438 (180deg=-0.525) USER MOD Single : A 496 LYS NZ :NH3+ -176:sc= 1.85 (180deg=1.68) USER MOD Single : A 497 SER OG : rot 180:sc= 0 USER MOD Single : A 503 MET CE :methyl 156:sc= -0.208 (180deg=-0.845) USER MOD Single : A 506 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.84) USER MOD Single : A 507 LYS NZ :NH3+ 167:sc= 1.19 (180deg=1.11) USER MOD Single : A 508 CYS SG : rot 81:sc= 0.00717 USER MOD Single : A 509 HIS : no HE2:sc= 0.847 K(o=0.85,f=-2.7!) 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= -0.0305 X(o=-0.031,f=-0.031) USER MOD Single : A 513 MET CE :methyl -173:sc= 0 (180deg=-0.0142) USER MOD Single : A 514 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 522 GLN : amide:sc= -0.0557 K(o=-0.056,f=-1.3!) USER MOD Single : A 523 CYS SG : rot 174:sc= 0.13 USER MOD Single : A 524 SER OG : rot 180:sc= 0 USER MOD Single : A 528 MET CE :methyl 152:sc=-0.00851 (180deg=-1.42) USER MOD Single : A 529 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 443 2.781 8.528 -2.955 1.00 22.25 N ATOM 77 CA VAL A 443 1.905 8.807 -1.842 1.00 35.34 C ATOM 78 C VAL A 443 1.114 7.539 -1.516 1.00 4.10 C ATOM 79 O VAL A 443 1.081 6.594 -2.324 1.00 15.11 O ATOM 80 CB VAL A 443 0.911 9.943 -2.233 1.00 33.21 C ATOM 81 CG1 VAL A 443 0.198 10.512 -1.022 1.00 62.33 C ATOM 82 CG2 VAL A 443 1.612 11.044 -3.015 1.00 62.41 C ATOM 0 HA VAL A 443 2.490 9.121 -0.978 1.00 35.34 H new ATOM 0 HB VAL A 443 0.154 9.497 -2.878 1.00 33.21 H new ATOM 0 HG11 VAL A 443 -0.485 11.300 -1.339 1.00 62.33 H new ATOM 0 HG12 VAL A 443 -0.366 9.721 -0.527 1.00 62.33 H new ATOM 0 HG13 VAL A 443 0.931 10.924 -0.328 1.00 62.33 H new ATOM 0 HG21 VAL A 443 0.893 11.821 -3.273 1.00 62.41 H new ATOM 0 HG22 VAL A 443 2.407 11.473 -2.406 1.00 62.41 H new ATOM 0 HG23 VAL A 443 2.039 10.627 -3.927 1.00 62.41 H new ATOM 92 N ARG A 444 0.512 7.482 -0.341 1.00 12.20 N ATOM 93 CA ARG A 444 -0.319 6.354 -0.006 1.00 23.41 C ATOM 94 C ARG A 444 -1.752 6.634 -0.417 1.00 72.25 C ATOM 95 O ARG A 444 -2.607 6.962 0.399 1.00 15.22 O ATOM 96 CB ARG A 444 -0.230 5.928 1.468 1.00 23.20 C ATOM 97 CG ARG A 444 1.183 5.791 2.007 1.00 63.51 C ATOM 98 CD ARG A 444 1.218 5.013 3.315 1.00 75.43 C ATOM 99 NE ARG A 444 1.334 3.560 3.080 1.00 22.23 N ATOM 100 CZ ARG A 444 0.777 2.585 3.815 1.00 52.52 C ATOM 101 NH1 ARG A 444 -0.143 2.868 4.741 1.00 21.20 N ATOM 102 NH2 ARG A 444 1.112 1.310 3.581 1.00 5.10 N ATOM 0 H ARG A 444 0.585 8.196 0.384 1.00 12.20 H new ATOM 0 HA ARG A 444 0.063 5.502 -0.568 1.00 23.41 H new ATOM 0 HB2 ARG A 444 -0.766 6.657 2.075 1.00 23.20 H new ATOM 0 HB3 ARG A 444 -0.744 4.974 1.588 1.00 23.20 H new ATOM 0 HG2 ARG A 444 1.806 5.287 1.268 1.00 63.51 H new ATOM 0 HG3 ARG A 444 1.610 6.782 2.162 1.00 63.51 H new ATOM 0 HD2 ARG A 444 2.059 5.353 3.919 1.00 75.43 H new ATOM 0 HD3 ARG A 444 0.312 5.219 3.886 1.00 75.43 H new ATOM 0 HE ARG A 444 1.894 3.268 2.279 1.00 22.23 H new ATOM 0 HH11 ARG A 444 -0.430 3.834 4.896 1.00 21.20 H new ATOM 0 HH12 ARG A 444 -0.559 2.118 5.293 1.00 21.20 H new ATOM 0 HH21 ARG A 444 1.786 1.086 2.849 1.00 5.10 H new ATOM 0 HH22 ARG A 444 0.693 0.563 4.135 1.00 5.10 H new ATOM 116 N ASP A 445 -1.977 6.579 -1.692 1.00 34.52 N ATOM 117 CA ASP A 445 -3.293 6.835 -2.269 1.00 71.25 C ATOM 118 C ASP A 445 -3.823 5.584 -2.905 1.00 34.20 C ATOM 119 O ASP A 445 -4.814 5.603 -3.646 1.00 40.01 O ATOM 120 CB ASP A 445 -3.251 7.976 -3.300 1.00 64.22 C ATOM 121 CG ASP A 445 -2.349 7.706 -4.492 1.00 50.32 C ATOM 122 OD1 ASP A 445 -1.363 6.940 -4.374 1.00 70.24 O ATOM 123 OD2 ASP A 445 -2.583 8.297 -5.563 1.00 2.25 O ATOM 0 H ASP A 445 -1.259 6.355 -2.381 1.00 34.52 H new ATOM 0 HA ASP A 445 -3.958 7.144 -1.462 1.00 71.25 H new ATOM 0 HB2 ASP A 445 -4.263 8.163 -3.659 1.00 64.22 H new ATOM 0 HB3 ASP A 445 -2.916 8.887 -2.804 1.00 64.22 H new ATOM 128 N CYS A 446 -3.196 4.498 -2.589 1.00 34.45 N ATOM 129 CA CYS A 446 -3.598 3.240 -3.099 1.00 13.13 C ATOM 130 C CYS A 446 -4.042 2.390 -1.926 1.00 72.13 C ATOM 131 O CYS A 446 -3.571 2.572 -0.798 1.00 75.33 O ATOM 132 CB CYS A 446 -2.441 2.603 -3.834 1.00 33.44 C ATOM 133 SG CYS A 446 -1.640 3.724 -5.022 1.00 73.33 S ATOM 0 H CYS A 446 -2.388 4.465 -1.967 1.00 34.45 H new ATOM 0 HA CYS A 446 -4.422 3.342 -3.805 1.00 13.13 H new ATOM 0 HB2 CYS A 446 -1.701 2.264 -3.109 1.00 33.44 H new ATOM 0 HB3 CYS A 446 -2.798 1.719 -4.363 1.00 33.44 H new ATOM 0 HG CYS A 446 -1.613 4.928 -4.532 1.00 73.33 H new ATOM 139 N ILE A 447 -4.952 1.521 -2.159 1.00 21.11 N ATOM 140 CA ILE A 447 -5.495 0.694 -1.130 1.00 12.33 C ATOM 141 C ILE A 447 -5.335 -0.765 -1.533 1.00 0.34 C ATOM 142 O ILE A 447 -5.550 -1.111 -2.686 1.00 31.21 O ATOM 143 CB ILE A 447 -7.004 0.940 -0.959 1.00 34.02 C ATOM 144 CG1 ILE A 447 -7.389 2.367 -1.336 1.00 22.52 C ATOM 145 CG2 ILE A 447 -7.363 0.706 0.481 1.00 63.53 C ATOM 146 CD1 ILE A 447 -8.848 2.699 -1.068 1.00 34.44 C ATOM 0 H ILE A 447 -5.352 1.355 -3.082 1.00 21.11 H new ATOM 0 HA ILE A 447 -4.970 0.926 -0.203 1.00 12.33 H new ATOM 0 HB ILE A 447 -7.542 0.259 -1.618 1.00 34.02 H new ATOM 0 HG12 ILE A 447 -6.760 3.062 -0.780 1.00 22.52 H new ATOM 0 HG13 ILE A 447 -7.179 2.523 -2.394 1.00 22.52 H new ATOM 0 HG21 ILE A 447 -8.430 0.876 0.622 1.00 63.53 H new ATOM 0 HG22 ILE A 447 -7.120 -0.321 0.754 1.00 63.53 H new ATOM 0 HG23 ILE A 447 -6.800 1.393 1.113 1.00 63.53 H new ATOM 0 HD11 ILE A 447 -9.046 3.730 -1.361 1.00 34.44 H new ATOM 0 HD12 ILE A 447 -9.486 2.029 -1.645 1.00 34.44 H new ATOM 0 HD13 ILE A 447 -9.060 2.577 -0.006 1.00 34.44 H new ATOM 158 N ARG A 448 -4.985 -1.592 -0.598 1.00 1.02 N ATOM 159 CA ARG A 448 -4.852 -3.001 -0.828 1.00 23.20 C ATOM 160 C ARG A 448 -5.975 -3.701 -0.106 1.00 21.14 C ATOM 161 O ARG A 448 -6.147 -3.534 1.102 1.00 33.33 O ATOM 162 CB ARG A 448 -3.506 -3.532 -0.325 1.00 62.44 C ATOM 163 CG ARG A 448 -3.356 -5.043 -0.483 1.00 64.21 C ATOM 164 CD ARG A 448 -2.040 -5.546 0.075 1.00 52.44 C ATOM 165 NE ARG A 448 -1.962 -7.008 0.026 1.00 1.31 N ATOM 166 CZ ARG A 448 -1.205 -7.772 0.834 1.00 5.25 C ATOM 167 NH1 ARG A 448 -0.286 -7.222 1.640 1.00 44.20 N ATOM 168 NH2 ARG A 448 -1.346 -9.080 0.808 1.00 51.14 N ATOM 0 H ARG A 448 -4.780 -1.306 0.360 1.00 1.02 H new ATOM 0 HA ARG A 448 -4.897 -3.191 -1.900 1.00 23.20 H new ATOM 0 HB2 ARG A 448 -2.702 -3.035 -0.868 1.00 62.44 H new ATOM 0 HB3 ARG A 448 -3.390 -3.270 0.727 1.00 62.44 H new ATOM 0 HG2 ARG A 448 -4.180 -5.544 0.025 1.00 64.21 H new ATOM 0 HG3 ARG A 448 -3.426 -5.306 -1.539 1.00 64.21 H new ATOM 0 HD2 ARG A 448 -1.215 -5.117 -0.493 1.00 52.44 H new ATOM 0 HD3 ARG A 448 -1.927 -5.209 1.105 1.00 52.44 H new ATOM 0 HE ARG A 448 -2.527 -7.485 -0.677 1.00 1.31 H new ATOM 0 HH11 ARG A 448 -0.153 -6.211 1.646 1.00 44.20 H new ATOM 0 HH12 ARG A 448 0.280 -7.815 2.247 1.00 44.20 H new ATOM 0 HH21 ARG A 448 -2.025 -9.507 0.178 1.00 51.14 H new ATOM 0 HH22 ARG A 448 -0.776 -9.667 1.417 1.00 51.14 H new ATOM 182 N LEU A 449 -6.734 -4.450 -0.820 1.00 60.42 N ATOM 183 CA LEU A 449 -7.823 -5.162 -0.245 1.00 34.32 C ATOM 184 C LEU A 449 -7.360 -6.582 -0.037 1.00 73.24 C ATOM 185 O LEU A 449 -6.590 -7.104 -0.842 1.00 64.41 O ATOM 186 CB LEU A 449 -9.008 -5.182 -1.195 1.00 42.13 C ATOM 187 CG LEU A 449 -9.374 -3.868 -1.909 1.00 63.55 C ATOM 188 CD1 LEU A 449 -10.562 -4.082 -2.819 1.00 44.34 C ATOM 189 CD2 LEU A 449 -9.673 -2.755 -0.920 1.00 34.31 C ATOM 0 H LEU A 449 -6.619 -4.589 -1.824 1.00 60.42 H new ATOM 0 HA LEU A 449 -8.129 -4.687 0.687 1.00 34.32 H new ATOM 0 HB2 LEU A 449 -8.814 -5.936 -1.958 1.00 42.13 H new ATOM 0 HB3 LEU A 449 -9.882 -5.514 -0.634 1.00 42.13 H new ATOM 0 HG LEU A 449 -8.512 -3.565 -2.503 1.00 63.55 H new ATOM 0 HD11 LEU A 449 -10.811 -3.146 -3.318 1.00 44.34 H new ATOM 0 HD12 LEU A 449 -10.317 -4.837 -3.566 1.00 44.34 H new ATOM 0 HD13 LEU A 449 -11.416 -4.418 -2.230 1.00 44.34 H new ATOM 0 HD21 LEU A 449 -9.927 -1.844 -1.463 1.00 34.31 H new ATOM 0 HD22 LEU A 449 -10.511 -3.046 -0.287 1.00 34.31 H new ATOM 0 HD23 LEU A 449 -8.795 -2.574 -0.299 1.00 34.31 H new ATOM 201 N ARG A 450 -7.797 -7.183 1.005 1.00 22.55 N ATOM 202 CA ARG A 450 -7.455 -8.541 1.305 1.00 12.55 C ATOM 203 C ARG A 450 -8.668 -9.226 1.869 1.00 72.34 C ATOM 204 O ARG A 450 -9.417 -8.627 2.627 1.00 31.41 O ATOM 205 CB ARG A 450 -6.330 -8.586 2.335 1.00 52.23 C ATOM 206 CG ARG A 450 -5.923 -9.981 2.745 1.00 60.41 C ATOM 207 CD ARG A 450 -4.961 -9.971 3.911 1.00 15.24 C ATOM 208 NE ARG A 450 -4.571 -11.335 4.273 1.00 14.21 N ATOM 209 CZ ARG A 450 -4.426 -11.808 5.514 1.00 3.41 C ATOM 210 NH1 ARG A 450 -4.695 -11.051 6.581 1.00 12.12 N ATOM 211 NH2 ARG A 450 -4.039 -13.065 5.683 1.00 2.44 N ATOM 0 H ARG A 450 -8.413 -6.747 1.691 1.00 22.55 H new ATOM 0 HA ARG A 450 -7.121 -9.041 0.396 1.00 12.55 H new ATOM 0 HB2 ARG A 450 -5.460 -8.070 1.929 1.00 52.23 H new ATOM 0 HB3 ARG A 450 -6.642 -8.035 3.222 1.00 52.23 H new ATOM 0 HG2 ARG A 450 -6.811 -10.554 3.013 1.00 60.41 H new ATOM 0 HG3 ARG A 450 -5.460 -10.487 1.898 1.00 60.41 H new ATOM 0 HD2 ARG A 450 -4.075 -9.391 3.653 1.00 15.24 H new ATOM 0 HD3 ARG A 450 -5.425 -9.481 4.767 1.00 15.24 H new ATOM 0 HE ARG A 450 -4.394 -11.984 3.507 1.00 14.21 H new ATOM 0 HH11 ARG A 450 -5.018 -10.091 6.457 1.00 12.12 H new ATOM 0 HH12 ARG A 450 -4.577 -11.432 7.520 1.00 12.12 H new ATOM 0 HH21 ARG A 450 -3.857 -13.656 4.872 1.00 2.44 H new ATOM 0 HH22 ARG A 450 -3.924 -13.441 6.624 1.00 2.44 H new ATOM 225 N GLY A 451 -8.875 -10.441 1.485 1.00 3.44 N ATOM 226 CA GLY A 451 -9.970 -11.196 2.027 1.00 70.13 C ATOM 227 C GLY A 451 -11.251 -10.914 1.302 1.00 22.24 C ATOM 228 O GLY A 451 -12.317 -10.945 1.886 1.00 74.53 O ATOM 0 H GLY A 451 -8.305 -10.937 0.800 1.00 3.44 H new ATOM 0 HA2 GLY A 451 -9.744 -12.260 1.965 1.00 70.13 H new ATOM 0 HA3 GLY A 451 -10.090 -10.956 3.084 1.00 70.13 H new ATOM 232 N LEU A 452 -11.139 -10.631 0.028 1.00 60.51 N ATOM 233 CA LEU A 452 -12.295 -10.354 -0.790 1.00 74.01 C ATOM 234 C LEU A 452 -13.129 -11.608 -0.990 1.00 42.44 C ATOM 235 O LEU A 452 -12.568 -12.708 -1.159 1.00 61.22 O ATOM 236 CB LEU A 452 -11.873 -9.789 -2.142 1.00 41.14 C ATOM 237 CG LEU A 452 -11.154 -8.449 -2.109 1.00 32.11 C ATOM 238 CD1 LEU A 452 -10.745 -8.047 -3.506 1.00 21.12 C ATOM 239 CD2 LEU A 452 -12.045 -7.386 -1.495 1.00 51.31 C ATOM 0 H LEU A 452 -10.250 -10.586 -0.470 1.00 60.51 H new ATOM 0 HA LEU A 452 -12.902 -9.612 -0.272 1.00 74.01 H new ATOM 0 HB2 LEU A 452 -11.224 -10.515 -2.631 1.00 41.14 H new ATOM 0 HB3 LEU A 452 -12.762 -9.687 -2.764 1.00 41.14 H new ATOM 0 HG LEU A 452 -10.259 -8.547 -1.494 1.00 32.11 H new ATOM 0 HD11 LEU A 452 -10.231 -7.086 -3.472 1.00 21.12 H new ATOM 0 HD12 LEU A 452 -10.077 -8.802 -3.921 1.00 21.12 H new ATOM 0 HD13 LEU A 452 -11.632 -7.962 -4.134 1.00 21.12 H new ATOM 0 HD21 LEU A 452 -11.516 -6.433 -1.479 1.00 51.31 H new ATOM 0 HD22 LEU A 452 -12.954 -7.286 -2.088 1.00 51.31 H new ATOM 0 HD23 LEU A 452 -12.306 -7.674 -0.477 1.00 51.31 H new ATOM 251 N PRO A 453 -14.475 -11.477 -0.916 1.00 10.14 N ATOM 252 CA PRO A 453 -15.376 -12.578 -1.153 1.00 73.52 C ATOM 253 C PRO A 453 -15.181 -13.153 -2.509 1.00 23.40 C ATOM 254 O PRO A 453 -14.911 -12.429 -3.489 1.00 34.30 O ATOM 255 CB PRO A 453 -16.762 -11.975 -1.126 1.00 12.00 C ATOM 256 CG PRO A 453 -16.633 -10.658 -0.468 1.00 44.15 C ATOM 257 CD PRO A 453 -15.187 -10.250 -0.549 1.00 70.12 C ATOM 0 HA PRO A 453 -15.213 -13.362 -0.414 1.00 73.52 H new ATOM 0 HB2 PRO A 453 -17.158 -11.867 -2.136 1.00 12.00 H new ATOM 0 HB3 PRO A 453 -17.454 -12.616 -0.579 1.00 12.00 H new ATOM 0 HG2 PRO A 453 -17.267 -9.920 -0.960 1.00 44.15 H new ATOM 0 HG3 PRO A 453 -16.957 -10.715 0.571 1.00 44.15 H new ATOM 0 HD2 PRO A 453 -15.037 -9.468 -1.293 1.00 70.12 H new ATOM 0 HD3 PRO A 453 -14.833 -9.856 0.404 1.00 70.12 H new ATOM 265 N TYR A 454 -15.343 -14.412 -2.582 1.00 64.12 N ATOM 266 CA TYR A 454 -15.245 -15.103 -3.768 1.00 45.22 C ATOM 267 C TYR A 454 -16.526 -14.881 -4.508 1.00 44.43 C ATOM 268 O TYR A 454 -17.615 -15.294 -4.069 1.00 55.04 O ATOM 269 CB TYR A 454 -14.980 -16.587 -3.544 1.00 73.32 C ATOM 270 CG TYR A 454 -14.408 -17.285 -4.771 1.00 44.42 C ATOM 271 CD1 TYR A 454 -13.040 -17.504 -4.879 1.00 42.02 C ATOM 272 CD2 TYR A 454 -15.220 -17.698 -5.820 1.00 32.10 C ATOM 273 CE1 TYR A 454 -12.497 -18.114 -5.992 1.00 62.25 C ATOM 274 CE2 TYR A 454 -14.682 -18.314 -6.937 1.00 62.34 C ATOM 275 CZ TYR A 454 -13.321 -18.518 -7.017 1.00 73.21 C ATOM 276 OH TYR A 454 -12.779 -19.123 -8.141 1.00 3.52 O ATOM 0 H TYR A 454 -15.556 -15.000 -1.776 1.00 64.12 H new ATOM 0 HA TYR A 454 -14.396 -14.739 -4.347 1.00 45.22 H new ATOM 0 HB2 TYR A 454 -14.287 -16.704 -2.711 1.00 73.32 H new ATOM 0 HB3 TYR A 454 -15.910 -17.076 -3.256 1.00 73.32 H new ATOM 0 HD1 TYR A 454 -12.389 -17.191 -4.076 1.00 42.02 H new ATOM 0 HD2 TYR A 454 -16.286 -17.536 -5.763 1.00 32.10 H new ATOM 0 HE1 TYR A 454 -11.431 -18.273 -6.058 1.00 62.25 H new ATOM 0 HE2 TYR A 454 -15.326 -18.634 -7.743 1.00 62.34 H new ATOM 0 HH TYR A 454 -13.497 -19.348 -8.769 1.00 3.52 H new ATOM 286 N ALA A 455 -16.375 -14.093 -5.489 1.00 61.21 N ATOM 287 CA ALA A 455 -17.371 -13.759 -6.517 1.00 20.24 C ATOM 288 C ALA A 455 -18.204 -12.552 -6.156 1.00 14.30 C ATOM 289 O ALA A 455 -19.359 -12.421 -6.560 1.00 35.43 O ATOM 290 CB ALA A 455 -18.231 -14.959 -6.934 1.00 62.15 C ATOM 0 H ALA A 455 -15.493 -13.604 -5.642 1.00 61.21 H new ATOM 0 HA ALA A 455 -16.796 -13.481 -7.400 1.00 20.24 H new ATOM 0 HB1 ALA A 455 -18.946 -14.647 -7.695 1.00 62.15 H new ATOM 0 HB2 ALA A 455 -17.590 -15.743 -7.338 1.00 62.15 H new ATOM 0 HB3 ALA A 455 -18.768 -15.341 -6.066 1.00 62.15 H new ATOM 296 N ALA A 456 -17.622 -11.664 -5.408 1.00 25.42 N ATOM 297 CA ALA A 456 -18.229 -10.383 -5.184 1.00 64.11 C ATOM 298 C ALA A 456 -17.787 -9.470 -6.313 1.00 63.32 C ATOM 299 O ALA A 456 -16.586 -9.257 -6.501 1.00 25.30 O ATOM 300 CB ALA A 456 -17.830 -9.805 -3.841 1.00 14.53 C ATOM 0 H ALA A 456 -16.726 -11.801 -4.941 1.00 25.42 H new ATOM 0 HA ALA A 456 -19.314 -10.483 -5.169 1.00 64.11 H new ATOM 0 HB1 ALA A 456 -18.308 -8.835 -3.706 1.00 14.53 H new ATOM 0 HB2 ALA A 456 -18.147 -10.480 -3.046 1.00 14.53 H new ATOM 0 HB3 ALA A 456 -16.747 -9.684 -3.804 1.00 14.53 H new ATOM 306 N THR A 457 -18.723 -8.960 -7.069 1.00 54.01 N ATOM 307 CA THR A 457 -18.405 -8.156 -8.213 1.00 13.21 C ATOM 308 C THR A 457 -17.931 -6.768 -7.789 1.00 15.51 C ATOM 309 O THR A 457 -18.250 -6.305 -6.675 1.00 64.53 O ATOM 310 CB THR A 457 -19.619 -8.075 -9.155 1.00 22.41 C ATOM 311 OG1 THR A 457 -20.801 -7.746 -8.404 1.00 41.40 O ATOM 312 CG2 THR A 457 -19.832 -9.397 -9.875 1.00 31.13 C ATOM 0 H THR A 457 -19.722 -9.091 -6.908 1.00 54.01 H new ATOM 0 HA THR A 457 -17.585 -8.626 -8.756 1.00 13.21 H new ATOM 0 HB THR A 457 -19.425 -7.298 -9.895 1.00 22.41 H new ATOM 0 HG1 THR A 457 -21.570 -7.694 -9.010 1.00 41.40 H new ATOM 0 HG21 THR A 457 -20.695 -9.317 -10.535 1.00 31.13 H new ATOM 0 HG22 THR A 457 -18.946 -9.638 -10.463 1.00 31.13 H new ATOM 0 HG23 THR A 457 -20.007 -10.186 -9.143 1.00 31.13 H new ATOM 320 N ILE A 458 -17.182 -6.093 -8.654 1.00 13.34 N ATOM 321 CA ILE A 458 -16.656 -4.784 -8.311 1.00 61.35 C ATOM 322 C ILE A 458 -17.763 -3.750 -8.131 1.00 3.22 C ATOM 323 O ILE A 458 -17.622 -2.798 -7.383 1.00 61.32 O ATOM 324 CB ILE A 458 -15.498 -4.288 -9.255 1.00 63.44 C ATOM 325 CG1 ILE A 458 -15.864 -4.294 -10.762 1.00 72.33 C ATOM 326 CG2 ILE A 458 -14.232 -5.087 -9.012 1.00 73.12 C ATOM 327 CD1 ILE A 458 -16.754 -3.152 -11.221 1.00 70.22 C ATOM 0 H ILE A 458 -16.930 -6.427 -9.584 1.00 13.34 H new ATOM 0 HA ILE A 458 -16.179 -4.908 -7.339 1.00 61.35 H new ATOM 0 HB ILE A 458 -15.329 -3.243 -8.993 1.00 63.44 H new ATOM 0 HG12 ILE A 458 -14.942 -4.269 -11.343 1.00 72.33 H new ATOM 0 HG13 ILE A 458 -16.362 -5.236 -10.994 1.00 72.33 H new ATOM 0 HG21 ILE A 458 -13.443 -4.729 -9.674 1.00 73.12 H new ATOM 0 HG22 ILE A 458 -13.918 -4.966 -7.975 1.00 73.12 H new ATOM 0 HG23 ILE A 458 -14.423 -6.141 -9.212 1.00 73.12 H new ATOM 0 HD11 ILE A 458 -16.950 -3.250 -12.289 1.00 70.22 H new ATOM 0 HD12 ILE A 458 -17.697 -3.183 -10.675 1.00 70.22 H new ATOM 0 HD13 ILE A 458 -16.255 -2.202 -11.029 1.00 70.22 H new ATOM 339 N GLU A 459 -18.885 -3.991 -8.769 1.00 54.44 N ATOM 340 CA GLU A 459 -20.032 -3.128 -8.668 1.00 2.14 C ATOM 341 C GLU A 459 -20.598 -3.219 -7.259 1.00 5.41 C ATOM 342 O GLU A 459 -21.053 -2.227 -6.686 1.00 23.13 O ATOM 343 CB GLU A 459 -21.126 -3.507 -9.702 1.00 43.13 C ATOM 344 CG GLU A 459 -20.661 -3.610 -11.166 1.00 3.42 C ATOM 345 CD GLU A 459 -20.087 -4.978 -11.554 1.00 42.24 C ATOM 346 OE1 GLU A 459 -19.275 -5.548 -10.808 1.00 14.13 O ATOM 347 OE2 GLU A 459 -20.424 -5.487 -12.643 1.00 23.42 O ATOM 0 H GLU A 459 -19.025 -4.798 -9.376 1.00 54.44 H new ATOM 0 HA GLU A 459 -19.716 -2.107 -8.883 1.00 2.14 H new ATOM 0 HB2 GLU A 459 -21.558 -4.464 -9.410 1.00 43.13 H new ATOM 0 HB3 GLU A 459 -21.924 -2.766 -9.646 1.00 43.13 H new ATOM 0 HG2 GLU A 459 -21.504 -3.385 -11.819 1.00 3.42 H new ATOM 0 HG3 GLU A 459 -19.904 -2.847 -11.349 1.00 3.42 H new ATOM 354 N ASP A 460 -20.490 -4.403 -6.685 1.00 31.15 N ATOM 355 CA ASP A 460 -21.020 -4.664 -5.368 1.00 25.20 C ATOM 356 C ASP A 460 -20.091 -4.069 -4.314 1.00 50.14 C ATOM 357 O ASP A 460 -20.544 -3.562 -3.277 1.00 21.03 O ATOM 358 CB ASP A 460 -21.211 -6.179 -5.137 1.00 41.14 C ATOM 359 CG ASP A 460 -22.069 -6.491 -3.922 1.00 31.34 C ATOM 360 OD1 ASP A 460 -21.534 -6.642 -2.812 1.00 11.11 O ATOM 361 OD2 ASP A 460 -23.324 -6.585 -4.063 1.00 5.53 O ATOM 0 H ASP A 460 -20.034 -5.205 -7.120 1.00 31.15 H new ATOM 0 HA ASP A 460 -21.999 -4.193 -5.285 1.00 25.20 H new ATOM 0 HB2 ASP A 460 -21.669 -6.621 -6.022 1.00 41.14 H new ATOM 0 HB3 ASP A 460 -20.235 -6.648 -5.016 1.00 41.14 H new ATOM 366 N ILE A 461 -18.793 -4.084 -4.591 1.00 71.12 N ATOM 367 CA ILE A 461 -17.845 -3.541 -3.647 1.00 12.24 C ATOM 368 C ILE A 461 -17.808 -2.010 -3.722 1.00 23.43 C ATOM 369 O ILE A 461 -17.615 -1.350 -2.726 1.00 3.11 O ATOM 370 CB ILE A 461 -16.411 -4.164 -3.755 1.00 73.34 C ATOM 371 CG1 ILE A 461 -15.608 -3.840 -2.484 1.00 71.13 C ATOM 372 CG2 ILE A 461 -15.668 -3.650 -4.985 1.00 35.05 C ATOM 373 CD1 ILE A 461 -14.238 -4.474 -2.431 1.00 23.43 C ATOM 0 H ILE A 461 -18.385 -4.460 -5.447 1.00 71.12 H new ATOM 0 HA ILE A 461 -18.206 -3.829 -2.660 1.00 12.24 H new ATOM 0 HB ILE A 461 -16.518 -5.244 -3.857 1.00 73.34 H new ATOM 0 HG12 ILE A 461 -15.497 -2.759 -2.405 1.00 71.13 H new ATOM 0 HG13 ILE A 461 -16.180 -4.166 -1.615 1.00 71.13 H new ATOM 0 HG21 ILE A 461 -14.678 -4.103 -5.028 1.00 35.05 H new ATOM 0 HG22 ILE A 461 -16.226 -3.913 -5.884 1.00 35.05 H new ATOM 0 HG23 ILE A 461 -15.569 -2.566 -4.924 1.00 35.05 H new ATOM 0 HD11 ILE A 461 -13.743 -4.193 -1.502 1.00 23.43 H new ATOM 0 HD12 ILE A 461 -14.337 -5.559 -2.475 1.00 23.43 H new ATOM 0 HD13 ILE A 461 -13.644 -4.129 -3.278 1.00 23.43 H new ATOM 385 N LEU A 462 -18.034 -1.448 -4.905 1.00 34.13 N ATOM 386 CA LEU A 462 -18.108 0.011 -5.042 1.00 51.02 C ATOM 387 C LEU A 462 -19.328 0.562 -4.319 1.00 24.45 C ATOM 388 O LEU A 462 -19.312 1.685 -3.809 1.00 33.22 O ATOM 389 CB LEU A 462 -18.044 0.480 -6.507 1.00 21.41 C ATOM 390 CG LEU A 462 -16.639 0.813 -7.073 1.00 33.01 C ATOM 391 CD1 LEU A 462 -15.678 -0.361 -6.981 1.00 72.22 C ATOM 392 CD2 LEU A 462 -16.745 1.295 -8.507 1.00 22.20 C ATOM 0 H LEU A 462 -18.168 -1.967 -5.773 1.00 34.13 H new ATOM 0 HA LEU A 462 -17.219 0.421 -4.562 1.00 51.02 H new ATOM 0 HB2 LEU A 462 -18.487 -0.296 -7.132 1.00 21.41 H new ATOM 0 HB3 LEU A 462 -18.670 1.367 -6.608 1.00 21.41 H new ATOM 0 HG LEU A 462 -16.230 1.611 -6.453 1.00 33.01 H new ATOM 0 HD11 LEU A 462 -14.710 -0.072 -7.391 1.00 72.22 H new ATOM 0 HD12 LEU A 462 -15.558 -0.652 -5.937 1.00 72.22 H new ATOM 0 HD13 LEU A 462 -16.076 -1.202 -7.548 1.00 72.22 H new ATOM 0 HD21 LEU A 462 -15.750 1.524 -8.888 1.00 22.20 H new ATOM 0 HD22 LEU A 462 -17.198 0.516 -9.120 1.00 22.20 H new ATOM 0 HD23 LEU A 462 -17.363 2.192 -8.545 1.00 22.20 H new ATOM 404 N ASP A 463 -20.379 -0.241 -4.266 1.00 33.53 N ATOM 405 CA ASP A 463 -21.566 0.086 -3.465 1.00 41.52 C ATOM 406 C ASP A 463 -21.149 0.123 -2.003 1.00 40.44 C ATOM 407 O ASP A 463 -21.328 1.115 -1.303 1.00 44.33 O ATOM 408 CB ASP A 463 -22.622 -1.007 -3.650 1.00 13.24 C ATOM 409 CG ASP A 463 -23.920 -0.751 -2.896 1.00 41.43 C ATOM 410 OD1 ASP A 463 -24.932 -0.410 -3.539 1.00 52.34 O ATOM 411 OD2 ASP A 463 -23.965 -0.927 -1.666 1.00 61.23 O ATOM 0 H ASP A 463 -20.442 -1.128 -4.766 1.00 33.53 H new ATOM 0 HA ASP A 463 -21.979 1.046 -3.776 1.00 41.52 H new ATOM 0 HB2 ASP A 463 -22.845 -1.106 -4.712 1.00 13.24 H new ATOM 0 HB3 ASP A 463 -22.205 -1.959 -3.322 1.00 13.24 H new ATOM 416 N PHE A 464 -20.530 -0.976 -1.608 1.00 50.52 N ATOM 417 CA PHE A 464 -20.000 -1.236 -0.258 1.00 41.31 C ATOM 418 C PHE A 464 -19.090 -0.098 0.224 1.00 33.03 C ATOM 419 O PHE A 464 -19.162 0.330 1.391 1.00 43.14 O ATOM 420 CB PHE A 464 -19.227 -2.570 -0.326 1.00 15.32 C ATOM 421 CG PHE A 464 -18.441 -2.977 0.885 1.00 64.43 C ATOM 422 CD1 PHE A 464 -19.058 -3.575 1.966 1.00 72.10 C ATOM 423 CD2 PHE A 464 -17.060 -2.802 0.913 1.00 2.32 C ATOM 424 CE1 PHE A 464 -18.318 -3.983 3.056 1.00 44.30 C ATOM 425 CE2 PHE A 464 -16.322 -3.204 1.999 1.00 31.52 C ATOM 426 CZ PHE A 464 -16.950 -3.797 3.070 1.00 43.05 C ATOM 0 H PHE A 464 -20.370 -1.758 -2.244 1.00 50.52 H new ATOM 0 HA PHE A 464 -20.817 -1.296 0.461 1.00 41.31 H new ATOM 0 HB2 PHE A 464 -19.943 -3.363 -0.545 1.00 15.32 H new ATOM 0 HB3 PHE A 464 -18.540 -2.518 -1.171 1.00 15.32 H new ATOM 0 HD1 PHE A 464 -20.128 -3.724 1.958 1.00 72.10 H new ATOM 0 HD2 PHE A 464 -16.563 -2.344 0.070 1.00 2.32 H new ATOM 0 HE1 PHE A 464 -18.809 -4.448 3.898 1.00 44.30 H new ATOM 0 HE2 PHE A 464 -15.252 -3.055 2.012 1.00 31.52 H new ATOM 0 HZ PHE A 464 -16.371 -4.118 3.924 1.00 43.05 H new ATOM 436 N LEU A 465 -18.256 0.387 -0.674 1.00 1.23 N ATOM 437 CA LEU A 465 -17.323 1.458 -0.384 1.00 71.51 C ATOM 438 C LEU A 465 -18.043 2.750 -0.055 1.00 64.44 C ATOM 439 O LEU A 465 -17.635 3.487 0.847 1.00 73.32 O ATOM 440 CB LEU A 465 -16.368 1.687 -1.556 1.00 75.12 C ATOM 441 CG LEU A 465 -15.369 0.565 -1.869 1.00 25.13 C ATOM 442 CD1 LEU A 465 -14.539 0.918 -3.091 1.00 22.05 C ATOM 443 CD2 LEU A 465 -14.463 0.291 -0.675 1.00 3.42 C ATOM 0 H LEU A 465 -18.206 0.046 -1.634 1.00 1.23 H new ATOM 0 HA LEU A 465 -16.747 1.151 0.489 1.00 71.51 H new ATOM 0 HB2 LEU A 465 -16.965 1.868 -2.450 1.00 75.12 H new ATOM 0 HB3 LEU A 465 -15.803 2.599 -1.360 1.00 75.12 H new ATOM 0 HG LEU A 465 -15.936 -0.342 -2.081 1.00 25.13 H new ATOM 0 HD11 LEU A 465 -13.836 0.111 -3.299 1.00 22.05 H new ATOM 0 HD12 LEU A 465 -15.196 1.057 -3.950 1.00 22.05 H new ATOM 0 HD13 LEU A 465 -13.988 1.840 -2.903 1.00 22.05 H new ATOM 0 HD21 LEU A 465 -13.765 -0.508 -0.924 1.00 3.42 H new ATOM 0 HD22 LEU A 465 -13.906 1.194 -0.426 1.00 3.42 H new ATOM 0 HD23 LEU A 465 -15.069 -0.009 0.180 1.00 3.42 H new ATOM 455 N GLY A 466 -19.127 2.997 -0.734 1.00 32.45 N ATOM 456 CA GLY A 466 -19.841 4.205 -0.526 1.00 41.51 C ATOM 457 C GLY A 466 -19.380 5.293 -1.426 1.00 10.33 C ATOM 458 O GLY A 466 -19.038 5.055 -2.588 1.00 22.42 O ATOM 0 H GLY A 466 -19.528 2.373 -1.434 1.00 32.45 H new ATOM 0 HA2 GLY A 466 -20.904 4.029 -0.688 1.00 41.51 H new ATOM 0 HA3 GLY A 466 -19.724 4.520 0.511 1.00 41.51 H new ATOM 462 N GLU A 467 -19.346 6.472 -0.869 1.00 54.14 N ATOM 463 CA GLU A 467 -18.924 7.715 -1.548 1.00 62.32 C ATOM 464 C GLU A 467 -17.559 7.565 -2.237 1.00 1.14 C ATOM 465 O GLU A 467 -17.287 8.203 -3.258 1.00 51.44 O ATOM 466 CB GLU A 467 -18.850 8.909 -0.564 1.00 21.25 C ATOM 467 CG GLU A 467 -20.101 9.160 0.286 1.00 10.15 C ATOM 468 CD GLU A 467 -20.157 8.325 1.554 1.00 13.11 C ATOM 469 OE1 GLU A 467 -19.869 8.862 2.642 1.00 15.14 O ATOM 470 OE2 GLU A 467 -20.470 7.119 1.501 1.00 14.31 O ATOM 0 H GLU A 467 -19.616 6.623 0.103 1.00 54.14 H new ATOM 0 HA GLU A 467 -19.685 7.911 -2.304 1.00 62.32 H new ATOM 0 HB2 GLU A 467 -18.006 8.749 0.107 1.00 21.25 H new ATOM 0 HB3 GLU A 467 -18.637 9.812 -1.136 1.00 21.25 H new ATOM 0 HG2 GLU A 467 -20.141 10.216 0.555 1.00 10.15 H new ATOM 0 HG3 GLU A 467 -20.986 8.951 -0.315 1.00 10.15 H new ATOM 477 N PHE A 468 -16.731 6.675 -1.698 1.00 11.14 N ATOM 478 CA PHE A 468 -15.389 6.433 -2.204 1.00 50.13 C ATOM 479 C PHE A 468 -15.395 5.854 -3.620 1.00 51.11 C ATOM 480 O PHE A 468 -14.372 5.867 -4.296 1.00 33.21 O ATOM 481 CB PHE A 468 -14.607 5.521 -1.261 1.00 32.44 C ATOM 482 CG PHE A 468 -14.471 6.073 0.125 1.00 15.31 C ATOM 483 CD1 PHE A 468 -15.128 5.479 1.190 1.00 34.53 C ATOM 484 CD2 PHE A 468 -13.697 7.196 0.361 1.00 64.13 C ATOM 485 CE1 PHE A 468 -15.013 5.994 2.463 1.00 25.00 C ATOM 486 CE2 PHE A 468 -13.580 7.714 1.629 1.00 63.52 C ATOM 487 CZ PHE A 468 -14.238 7.112 2.684 1.00 71.44 C ATOM 0 H PHE A 468 -16.976 6.099 -0.893 1.00 11.14 H new ATOM 0 HA PHE A 468 -14.893 7.402 -2.252 1.00 50.13 H new ATOM 0 HB2 PHE A 468 -15.103 4.552 -1.211 1.00 32.44 H new ATOM 0 HB3 PHE A 468 -13.613 5.349 -1.675 1.00 32.44 H new ATOM 0 HD1 PHE A 468 -15.737 4.603 1.021 1.00 34.53 H new ATOM 0 HD2 PHE A 468 -13.180 7.670 -0.460 1.00 64.13 H new ATOM 0 HE1 PHE A 468 -15.529 5.522 3.286 1.00 25.00 H new ATOM 0 HE2 PHE A 468 -12.974 8.591 1.800 1.00 63.52 H new ATOM 0 HZ PHE A 468 -14.145 7.517 3.681 1.00 71.44 H new ATOM 497 N ALA A 469 -16.557 5.395 -4.083 1.00 64.23 N ATOM 498 CA ALA A 469 -16.698 4.847 -5.425 1.00 12.03 C ATOM 499 C ALA A 469 -16.510 5.928 -6.484 1.00 30.44 C ATOM 500 O ALA A 469 -16.258 5.638 -7.645 1.00 72.02 O ATOM 501 CB ALA A 469 -18.049 4.188 -5.592 1.00 31.53 C ATOM 0 H ALA A 469 -17.420 5.394 -3.540 1.00 64.23 H new ATOM 0 HA ALA A 469 -15.920 4.096 -5.560 1.00 12.03 H new ATOM 0 HB1 ALA A 469 -18.135 3.785 -6.601 1.00 31.53 H new ATOM 0 HB2 ALA A 469 -18.151 3.379 -4.868 1.00 31.53 H new ATOM 0 HB3 ALA A 469 -18.836 4.924 -5.427 1.00 31.53 H new ATOM 507 N THR A 470 -16.662 7.170 -6.091 1.00 12.32 N ATOM 508 CA THR A 470 -16.446 8.257 -6.982 1.00 31.51 C ATOM 509 C THR A 470 -15.061 8.894 -6.707 1.00 15.34 C ATOM 510 O THR A 470 -14.640 9.847 -7.363 1.00 63.02 O ATOM 511 CB THR A 470 -17.573 9.294 -6.837 1.00 3.40 C ATOM 512 OG1 THR A 470 -18.834 8.593 -6.803 1.00 53.52 O ATOM 513 CG2 THR A 470 -17.582 10.239 -8.027 1.00 4.14 C ATOM 0 H THR A 470 -16.938 7.443 -5.148 1.00 12.32 H new ATOM 0 HA THR A 470 -16.457 7.890 -8.008 1.00 31.51 H new ATOM 0 HB THR A 470 -17.416 9.869 -5.924 1.00 3.40 H new ATOM 0 HG1 THR A 470 -19.565 9.239 -6.709 1.00 53.52 H new ATOM 0 HG21 THR A 470 -18.385 10.966 -7.908 1.00 4.14 H new ATOM 0 HG22 THR A 470 -16.626 10.760 -8.085 1.00 4.14 H new ATOM 0 HG23 THR A 470 -17.741 9.669 -8.943 1.00 4.14 H new ATOM 521 N ASP A 471 -14.347 8.342 -5.747 1.00 63.10 N ATOM 522 CA ASP A 471 -13.052 8.868 -5.389 1.00 14.20 C ATOM 523 C ASP A 471 -11.929 7.964 -5.819 1.00 62.53 C ATOM 524 O ASP A 471 -10.767 8.198 -5.493 1.00 15.13 O ATOM 525 CB ASP A 471 -12.944 9.244 -3.910 1.00 24.24 C ATOM 526 CG ASP A 471 -13.724 10.493 -3.574 1.00 34.45 C ATOM 527 OD1 ASP A 471 -13.588 11.504 -4.314 1.00 45.04 O ATOM 528 OD2 ASP A 471 -14.430 10.518 -2.545 1.00 10.41 O ATOM 0 H ASP A 471 -14.643 7.531 -5.204 1.00 63.10 H new ATOM 0 HA ASP A 471 -12.948 9.798 -5.948 1.00 14.20 H new ATOM 0 HB2 ASP A 471 -13.308 8.417 -3.300 1.00 24.24 H new ATOM 0 HB3 ASP A 471 -11.896 9.393 -3.652 1.00 24.24 H new ATOM 533 N ILE A 472 -12.278 6.941 -6.538 1.00 41.55 N ATOM 534 CA ILE A 472 -11.348 6.039 -7.127 1.00 11.23 C ATOM 535 C ILE A 472 -10.978 6.590 -8.504 1.00 12.40 C ATOM 536 O ILE A 472 -11.785 7.325 -9.106 1.00 24.11 O ATOM 537 CB ILE A 472 -11.997 4.627 -7.279 1.00 23.05 C ATOM 538 CG1 ILE A 472 -11.018 3.645 -7.898 1.00 24.12 C ATOM 539 CG2 ILE A 472 -13.290 4.688 -8.094 1.00 32.31 C ATOM 540 CD1 ILE A 472 -11.591 2.277 -8.132 1.00 43.31 C ATOM 0 H ILE A 472 -13.251 6.707 -6.735 1.00 41.55 H new ATOM 0 HA ILE A 472 -10.461 5.943 -6.501 1.00 11.23 H new ATOM 0 HB ILE A 472 -12.252 4.274 -6.280 1.00 23.05 H new ATOM 0 HG12 ILE A 472 -10.667 4.048 -8.848 1.00 24.12 H new ATOM 0 HG13 ILE A 472 -10.148 3.557 -7.248 1.00 24.12 H new ATOM 0 HG21 ILE A 472 -13.714 3.687 -8.179 1.00 32.31 H new ATOM 0 HG22 ILE A 472 -14.004 5.343 -7.595 1.00 32.31 H new ATOM 0 HG23 ILE A 472 -13.075 5.077 -9.089 1.00 32.31 H new ATOM 0 HD11 ILE A 472 -10.830 1.635 -8.576 1.00 43.31 H new ATOM 0 HD12 ILE A 472 -11.916 1.851 -7.183 1.00 43.31 H new ATOM 0 HD13 ILE A 472 -12.443 2.350 -8.808 1.00 43.31 H new ATOM 552 N ARG A 473 -9.785 6.303 -9.002 1.00 62.20 N ATOM 553 CA ARG A 473 -9.473 6.748 -10.327 1.00 33.44 C ATOM 554 C ARG A 473 -10.138 5.831 -11.325 1.00 63.30 C ATOM 555 O ARG A 473 -10.497 4.683 -10.998 1.00 52.50 O ATOM 556 CB ARG A 473 -7.980 6.838 -10.624 1.00 33.42 C ATOM 557 CG ARG A 473 -7.233 5.522 -10.749 1.00 53.12 C ATOM 558 CD ARG A 473 -5.896 5.755 -11.440 1.00 44.24 C ATOM 559 NE ARG A 473 -5.130 4.512 -11.687 1.00 60.13 N ATOM 560 CZ ARG A 473 -5.141 3.815 -12.843 1.00 31.02 C ATOM 561 NH1 ARG A 473 -6.094 4.036 -13.759 1.00 54.14 N ATOM 562 NH2 ARG A 473 -4.226 2.868 -13.056 1.00 35.35 N ATOM 0 H ARG A 473 -9.050 5.784 -8.521 1.00 62.20 H new ATOM 0 HA ARG A 473 -9.853 7.766 -10.409 1.00 33.44 H new ATOM 0 HB2 ARG A 473 -7.850 7.394 -11.553 1.00 33.42 H new ATOM 0 HB3 ARG A 473 -7.510 7.423 -9.834 1.00 33.42 H new ATOM 0 HG2 ARG A 473 -7.073 5.089 -9.762 1.00 53.12 H new ATOM 0 HG3 ARG A 473 -7.828 4.808 -11.318 1.00 53.12 H new ATOM 0 HD2 ARG A 473 -6.071 6.259 -12.391 1.00 44.24 H new ATOM 0 HD3 ARG A 473 -5.294 6.427 -10.829 1.00 44.24 H new ATOM 0 HE ARG A 473 -4.551 4.156 -10.927 1.00 60.13 H new ATOM 0 HH11 ARG A 473 -6.817 4.734 -13.585 1.00 54.14 H new ATOM 0 HH12 ARG A 473 -6.097 3.506 -14.630 1.00 54.14 H new ATOM 0 HH21 ARG A 473 -3.520 2.672 -12.346 1.00 35.35 H new ATOM 0 HH22 ARG A 473 -4.232 2.340 -13.929 1.00 35.35 H new ATOM 576 N THR A 474 -10.254 6.300 -12.522 1.00 73.14 N ATOM 577 CA THR A 474 -10.943 5.583 -13.554 1.00 15.42 C ATOM 578 C THR A 474 -10.183 4.301 -13.916 1.00 13.30 C ATOM 579 O THR A 474 -9.014 4.351 -14.336 1.00 74.31 O ATOM 580 CB THR A 474 -11.139 6.486 -14.782 1.00 62.02 C ATOM 581 OG1 THR A 474 -11.784 7.715 -14.347 1.00 11.21 O ATOM 582 CG2 THR A 474 -12.013 5.803 -15.826 1.00 44.21 C ATOM 0 H THR A 474 -9.872 7.198 -12.819 1.00 73.14 H new ATOM 0 HA THR A 474 -11.927 5.291 -13.189 1.00 15.42 H new ATOM 0 HB THR A 474 -10.168 6.694 -15.232 1.00 62.02 H new ATOM 0 HG1 THR A 474 -11.916 8.306 -15.118 1.00 11.21 H new ATOM 0 HG21 THR A 474 -12.137 6.463 -16.685 1.00 44.21 H new ATOM 0 HG22 THR A 474 -11.539 4.875 -16.146 1.00 44.21 H new ATOM 0 HG23 THR A 474 -12.989 5.582 -15.395 1.00 44.21 H new ATOM 590 N HIS A 475 -10.842 3.161 -13.650 1.00 53.14 N ATOM 591 CA HIS A 475 -10.316 1.818 -13.902 1.00 62.11 C ATOM 592 C HIS A 475 -9.089 1.558 -12.994 1.00 11.32 C ATOM 593 O HIS A 475 -8.211 0.744 -13.294 1.00 4.43 O ATOM 594 CB HIS A 475 -9.999 1.647 -15.410 1.00 2.34 C ATOM 595 CG HIS A 475 -9.707 0.239 -15.850 1.00 22.23 C ATOM 596 ND1 HIS A 475 -8.645 -0.111 -16.648 1.00 71.24 N ATOM 597 CD2 HIS A 475 -10.397 -0.904 -15.625 1.00 35.05 C ATOM 598 CE1 HIS A 475 -8.710 -1.420 -16.882 1.00 12.32 C ATOM 599 NE2 HIS A 475 -9.765 -1.957 -16.282 1.00 74.32 N ATOM 0 H HIS A 475 -11.778 3.153 -13.244 1.00 53.14 H new ATOM 0 HA HIS A 475 -11.065 1.067 -13.650 1.00 62.11 H new ATOM 0 HB2 HIS A 475 -10.844 2.022 -15.987 1.00 2.34 H new ATOM 0 HB3 HIS A 475 -9.141 2.273 -15.657 1.00 2.34 H new ATOM 0 HD2 HIS A 475 -11.295 -0.986 -15.030 1.00 35.05 H new ATOM 0 HE1 HIS A 475 -7.999 -1.971 -17.480 1.00 12.32 H new ATOM 0 HE2 HIS A 475 -10.053 -2.935 -16.299 1.00 74.32 H new ATOM 607 N GLY A 476 -9.087 2.212 -11.833 1.00 62.33 N ATOM 608 CA GLY A 476 -8.003 2.070 -10.892 1.00 62.30 C ATOM 609 C GLY A 476 -8.070 0.807 -10.040 1.00 13.25 C ATOM 610 O GLY A 476 -7.283 0.654 -9.103 1.00 23.02 O ATOM 0 H GLY A 476 -9.829 2.843 -11.531 1.00 62.33 H new ATOM 0 HA2 GLY A 476 -7.060 2.075 -11.439 1.00 62.30 H new ATOM 0 HA3 GLY A 476 -7.994 2.938 -10.233 1.00 62.30 H new ATOM 614 N VAL A 477 -8.988 -0.088 -10.354 1.00 0.04 N ATOM 615 CA VAL A 477 -9.113 -1.338 -9.614 1.00 15.01 C ATOM 616 C VAL A 477 -8.195 -2.371 -10.240 1.00 12.51 C ATOM 617 O VAL A 477 -8.334 -2.704 -11.423 1.00 32.44 O ATOM 618 CB VAL A 477 -10.562 -1.925 -9.647 1.00 35.15 C ATOM 619 CG1 VAL A 477 -10.671 -3.175 -8.777 1.00 41.35 C ATOM 620 CG2 VAL A 477 -11.595 -0.908 -9.233 1.00 32.25 C ATOM 0 H VAL A 477 -9.659 0.023 -11.114 1.00 0.04 H new ATOM 0 HA VAL A 477 -8.854 -1.119 -8.578 1.00 15.01 H new ATOM 0 HB VAL A 477 -10.765 -2.201 -10.682 1.00 35.15 H new ATOM 0 HG11 VAL A 477 -11.690 -3.560 -8.820 1.00 41.35 H new ATOM 0 HG12 VAL A 477 -9.980 -3.934 -9.143 1.00 41.35 H new ATOM 0 HG13 VAL A 477 -10.421 -2.924 -7.746 1.00 41.35 H new ATOM 0 HG21 VAL A 477 -12.586 -1.360 -9.271 1.00 32.25 H new ATOM 0 HG22 VAL A 477 -11.388 -0.572 -8.217 1.00 32.25 H new ATOM 0 HG23 VAL A 477 -11.559 -0.056 -9.911 1.00 32.25 H new ATOM 630 N HIS A 478 -7.271 -2.844 -9.487 1.00 43.20 N ATOM 631 CA HIS A 478 -6.370 -3.879 -9.919 1.00 32.22 C ATOM 632 C HIS A 478 -6.600 -5.069 -9.036 1.00 53.14 C ATOM 633 O HIS A 478 -6.747 -4.921 -7.832 1.00 1.50 O ATOM 634 CB HIS A 478 -4.910 -3.411 -9.812 1.00 14.22 C ATOM 635 CG HIS A 478 -4.578 -2.255 -10.701 1.00 4.10 C ATOM 636 ND1 HIS A 478 -4.906 -0.942 -10.423 1.00 55.04 N ATOM 637 CD2 HIS A 478 -3.947 -2.236 -11.892 1.00 31.42 C ATOM 638 CE1 HIS A 478 -4.475 -0.188 -11.434 1.00 5.11 C ATOM 639 NE2 HIS A 478 -3.882 -0.925 -12.359 1.00 65.20 N ATOM 0 H HIS A 478 -7.106 -2.525 -8.532 1.00 43.20 H new ATOM 0 HA HIS A 478 -6.556 -4.130 -10.963 1.00 32.22 H new ATOM 0 HB2 HIS A 478 -4.702 -3.133 -8.779 1.00 14.22 H new ATOM 0 HB3 HIS A 478 -4.252 -4.245 -10.056 1.00 14.22 H new ATOM 0 HD1 HIS A 478 -5.392 -0.608 -9.591 1.00 55.04 H new ATOM 0 HD2 HIS A 478 -3.553 -3.102 -12.404 1.00 31.42 H new ATOM 0 HE1 HIS A 478 -4.594 0.884 -11.491 1.00 5.11 H new ATOM 647 N MET A 479 -6.674 -6.214 -9.608 1.00 21.30 N ATOM 648 CA MET A 479 -6.920 -7.420 -8.858 1.00 62.22 C ATOM 649 C MET A 479 -5.728 -8.314 -8.976 1.00 20.22 C ATOM 650 O MET A 479 -5.138 -8.444 -10.055 1.00 3.01 O ATOM 651 CB MET A 479 -8.157 -8.134 -9.406 1.00 31.33 C ATOM 652 CG MET A 479 -8.487 -9.473 -8.748 1.00 42.33 C ATOM 653 SD MET A 479 -8.993 -9.331 -7.022 1.00 42.21 S ATOM 654 CE MET A 479 -10.535 -8.422 -7.200 1.00 11.31 C ATOM 0 H MET A 479 -6.567 -6.357 -10.612 1.00 21.30 H new ATOM 0 HA MET A 479 -7.094 -7.171 -7.811 1.00 62.22 H new ATOM 0 HB2 MET A 479 -9.016 -7.473 -9.295 1.00 31.33 H new ATOM 0 HB3 MET A 479 -8.017 -8.298 -10.474 1.00 31.33 H new ATOM 0 HG2 MET A 479 -9.284 -9.958 -9.312 1.00 42.33 H new ATOM 0 HG3 MET A 479 -7.613 -10.122 -8.809 1.00 42.33 H new ATOM 0 HE1 MET A 479 -11.172 -8.613 -6.336 1.00 11.31 H new ATOM 0 HE2 MET A 479 -10.323 -7.355 -7.265 1.00 11.31 H new ATOM 0 HE3 MET A 479 -11.046 -8.747 -8.106 1.00 11.31 H new ATOM 664 N VAL A 480 -5.366 -8.915 -7.897 1.00 14.42 N ATOM 665 CA VAL A 480 -4.273 -9.822 -7.901 1.00 23.30 C ATOM 666 C VAL A 480 -4.795 -11.191 -8.249 1.00 2.44 C ATOM 667 O VAL A 480 -5.530 -11.818 -7.469 1.00 43.21 O ATOM 668 CB VAL A 480 -3.519 -9.862 -6.547 1.00 43.45 C ATOM 669 CG1 VAL A 480 -2.354 -10.843 -6.599 1.00 32.42 C ATOM 670 CG2 VAL A 480 -3.019 -8.473 -6.171 1.00 32.13 C ATOM 0 H VAL A 480 -5.817 -8.792 -6.990 1.00 14.42 H new ATOM 0 HA VAL A 480 -3.550 -9.482 -8.642 1.00 23.30 H new ATOM 0 HB VAL A 480 -4.219 -10.201 -5.784 1.00 43.45 H new ATOM 0 HG11 VAL A 480 -1.842 -10.851 -5.637 1.00 32.42 H new ATOM 0 HG12 VAL A 480 -2.729 -11.842 -6.819 1.00 32.42 H new ATOM 0 HG13 VAL A 480 -1.656 -10.538 -7.378 1.00 32.42 H new ATOM 0 HG21 VAL A 480 -2.492 -8.522 -5.218 1.00 32.13 H new ATOM 0 HG22 VAL A 480 -2.340 -8.109 -6.942 1.00 32.13 H new ATOM 0 HG23 VAL A 480 -3.866 -7.793 -6.083 1.00 32.13 H new ATOM 680 N LEU A 481 -4.514 -11.601 -9.449 1.00 73.33 N ATOM 681 CA LEU A 481 -4.859 -12.916 -9.883 1.00 72.34 C ATOM 682 C LEU A 481 -3.696 -13.789 -9.544 1.00 54.22 C ATOM 683 O LEU A 481 -2.536 -13.338 -9.576 1.00 32.10 O ATOM 684 CB LEU A 481 -5.114 -12.967 -11.392 1.00 70.23 C ATOM 685 CG LEU A 481 -6.124 -11.961 -11.960 1.00 43.35 C ATOM 686 CD1 LEU A 481 -6.228 -12.110 -13.466 1.00 12.21 C ATOM 687 CD2 LEU A 481 -7.489 -12.132 -11.327 1.00 34.34 C ATOM 0 H LEU A 481 -4.040 -11.033 -10.151 1.00 73.33 H new ATOM 0 HA LEU A 481 -5.777 -13.242 -9.395 1.00 72.34 H new ATOM 0 HB2 LEU A 481 -4.162 -12.817 -11.902 1.00 70.23 H new ATOM 0 HB3 LEU A 481 -5.456 -13.971 -11.644 1.00 70.23 H new ATOM 0 HG LEU A 481 -5.764 -10.960 -11.724 1.00 43.35 H new ATOM 0 HD11 LEU A 481 -6.948 -11.390 -13.854 1.00 12.21 H new ATOM 0 HD12 LEU A 481 -5.253 -11.928 -13.918 1.00 12.21 H new ATOM 0 HD13 LEU A 481 -6.558 -13.120 -13.710 1.00 12.21 H new ATOM 0 HD21 LEU A 481 -8.181 -11.404 -11.751 1.00 34.34 H new ATOM 0 HD22 LEU A 481 -7.857 -13.139 -11.522 1.00 34.34 H new ATOM 0 HD23 LEU A 481 -7.413 -11.976 -10.251 1.00 34.34 H new ATOM 699 N ASN A 482 -3.974 -14.989 -9.236 1.00 23.41 N ATOM 700 CA ASN A 482 -2.957 -15.913 -8.813 1.00 24.23 C ATOM 701 C ASN A 482 -2.389 -16.651 -10.023 1.00 35.14 C ATOM 702 O ASN A 482 -2.685 -16.285 -11.166 1.00 12.23 O ATOM 703 CB ASN A 482 -3.541 -16.885 -7.777 1.00 34.23 C ATOM 704 CG ASN A 482 -4.504 -17.932 -8.338 1.00 30.01 C ATOM 705 OD1 ASN A 482 -5.174 -17.728 -9.356 1.00 34.54 O ATOM 706 ND2 ASN A 482 -4.564 -19.065 -7.697 1.00 51.30 N ATOM 0 H ASN A 482 -4.915 -15.381 -9.264 1.00 23.41 H new ATOM 0 HA ASN A 482 -2.138 -15.371 -8.341 1.00 24.23 H new ATOM 0 HB2 ASN A 482 -2.718 -17.400 -7.281 1.00 34.23 H new ATOM 0 HB3 ASN A 482 -4.062 -16.307 -7.013 1.00 34.23 H new ATOM 0 HD21 ASN A 482 -5.175 -19.809 -8.033 1.00 51.30 H new ATOM 0 HD22 ASN A 482 -4.000 -19.207 -6.859 1.00 51.30 H new ATOM 713 N HIS A 483 -1.597 -17.690 -9.784 1.00 32.24 N ATOM 714 CA HIS A 483 -0.984 -18.490 -10.858 1.00 33.51 C ATOM 715 C HIS A 483 -2.074 -19.174 -11.706 1.00 60.13 C ATOM 716 O HIS A 483 -1.906 -19.408 -12.905 1.00 21.21 O ATOM 717 CB HIS A 483 -0.035 -19.542 -10.243 1.00 22.11 C ATOM 718 CG HIS A 483 0.696 -20.397 -11.235 1.00 0.53 C ATOM 719 ND1 HIS A 483 0.319 -21.680 -11.566 1.00 20.10 N ATOM 720 CD2 HIS A 483 1.802 -20.134 -11.963 1.00 25.40 C ATOM 721 CE1 HIS A 483 1.183 -22.147 -12.463 1.00 43.42 C ATOM 722 NE2 HIS A 483 2.106 -21.243 -12.744 1.00 11.32 N ATOM 0 H HIS A 483 -1.357 -18.008 -8.845 1.00 32.24 H new ATOM 0 HA HIS A 483 -0.409 -17.833 -11.510 1.00 33.51 H new ATOM 0 HB2 HIS A 483 0.697 -19.028 -9.620 1.00 22.11 H new ATOM 0 HB3 HIS A 483 -0.614 -20.190 -9.585 1.00 22.11 H new ATOM 0 HD2 HIS A 483 2.361 -19.210 -11.942 1.00 25.40 H new ATOM 0 HE1 HIS A 483 1.137 -23.132 -12.903 1.00 43.42 H new ATOM 0 HE2 HIS A 483 2.882 -21.340 -13.399 1.00 11.32 H new ATOM 730 N GLN A 484 -3.195 -19.454 -11.072 1.00 70.05 N ATOM 731 CA GLN A 484 -4.324 -20.094 -11.708 1.00 74.31 C ATOM 732 C GLN A 484 -5.145 -19.063 -12.525 1.00 51.51 C ATOM 733 O GLN A 484 -6.066 -19.413 -13.257 1.00 43.22 O ATOM 734 CB GLN A 484 -5.165 -20.821 -10.628 1.00 65.12 C ATOM 735 CG GLN A 484 -6.392 -21.570 -11.122 1.00 71.00 C ATOM 736 CD GLN A 484 -7.038 -22.400 -10.034 1.00 34.31 C ATOM 737 OE1 GLN A 484 -6.718 -23.584 -9.860 1.00 4.32 O ATOM 738 NE2 GLN A 484 -7.917 -21.810 -9.289 1.00 23.54 N ATOM 0 H GLN A 484 -3.347 -19.239 -10.087 1.00 70.05 H new ATOM 0 HA GLN A 484 -3.983 -20.843 -12.423 1.00 74.31 H new ATOM 0 HB2 GLN A 484 -4.518 -21.528 -10.109 1.00 65.12 H new ATOM 0 HB3 GLN A 484 -5.487 -20.085 -9.892 1.00 65.12 H new ATOM 0 HG2 GLN A 484 -7.118 -20.856 -11.510 1.00 71.00 H new ATOM 0 HG3 GLN A 484 -6.109 -22.219 -11.951 1.00 71.00 H new ATOM 0 HE21 GLN A 484 -8.157 -20.834 -9.460 1.00 23.54 H new ATOM 0 HE22 GLN A 484 -8.369 -22.322 -8.531 1.00 23.54 H new ATOM 747 N GLY A 485 -4.787 -17.794 -12.396 1.00 64.35 N ATOM 748 CA GLY A 485 -5.426 -16.746 -13.158 1.00 50.45 C ATOM 749 C GLY A 485 -6.763 -16.331 -12.589 1.00 71.03 C ATOM 750 O GLY A 485 -7.608 -15.783 -13.300 1.00 50.23 O ATOM 0 H GLY A 485 -4.053 -17.470 -11.766 1.00 64.35 H new ATOM 0 HA2 GLY A 485 -4.768 -15.878 -13.194 1.00 50.45 H new ATOM 0 HA3 GLY A 485 -5.564 -17.084 -14.185 1.00 50.45 H new ATOM 754 N ARG A 486 -6.963 -16.604 -11.319 1.00 53.35 N ATOM 755 CA ARG A 486 -8.192 -16.261 -10.632 1.00 71.45 C ATOM 756 C ARG A 486 -7.863 -15.341 -9.486 1.00 44.14 C ATOM 757 O ARG A 486 -6.738 -15.372 -8.997 1.00 33.32 O ATOM 758 CB ARG A 486 -8.975 -17.518 -10.146 1.00 24.34 C ATOM 759 CG ARG A 486 -9.872 -18.167 -11.213 1.00 60.11 C ATOM 760 CD ARG A 486 -9.085 -18.740 -12.373 1.00 3.22 C ATOM 761 NE ARG A 486 -9.939 -19.129 -13.492 1.00 14.25 N ATOM 762 CZ ARG A 486 -9.496 -19.411 -14.732 1.00 24.44 C ATOM 763 NH1 ARG A 486 -8.187 -19.491 -14.984 1.00 53.13 N ATOM 764 NH2 ARG A 486 -10.359 -19.638 -15.706 1.00 61.22 N ATOM 0 H ARG A 486 -6.275 -17.073 -10.729 1.00 53.35 H new ATOM 0 HA ARG A 486 -8.854 -15.754 -11.334 1.00 71.45 H new ATOM 0 HB2 ARG A 486 -8.260 -18.260 -9.791 1.00 24.34 H new ATOM 0 HB3 ARG A 486 -9.593 -17.237 -9.293 1.00 24.34 H new ATOM 0 HG2 ARG A 486 -10.461 -18.960 -10.752 1.00 60.11 H new ATOM 0 HG3 ARG A 486 -10.576 -17.425 -11.589 1.00 60.11 H new ATOM 0 HD2 ARG A 486 -8.359 -18.003 -12.714 1.00 3.22 H new ATOM 0 HD3 ARG A 486 -8.521 -19.608 -12.032 1.00 3.22 H new ATOM 0 HE ARG A 486 -10.943 -19.192 -13.322 1.00 14.25 H new ATOM 0 HH11 ARG A 486 -7.513 -19.338 -14.234 1.00 53.13 H new ATOM 0 HH12 ARG A 486 -7.861 -19.705 -15.927 1.00 53.13 H new ATOM 0 HH21 ARG A 486 -11.361 -19.600 -15.519 1.00 61.22 H new ATOM 0 HH22 ARG A 486 -10.023 -19.852 -16.645 1.00 61.22 H new ATOM 778 N PRO A 487 -8.793 -14.460 -9.091 1.00 32.13 N ATOM 779 CA PRO A 487 -8.563 -13.510 -8.001 1.00 62.25 C ATOM 780 C PRO A 487 -8.184 -14.200 -6.692 1.00 35.42 C ATOM 781 O PRO A 487 -8.918 -15.052 -6.187 1.00 54.54 O ATOM 782 CB PRO A 487 -9.905 -12.788 -7.843 1.00 71.52 C ATOM 783 CG PRO A 487 -10.616 -12.986 -9.136 1.00 63.12 C ATOM 784 CD PRO A 487 -10.138 -14.300 -9.686 1.00 72.31 C ATOM 0 HA PRO A 487 -7.731 -12.843 -8.229 1.00 62.25 H new ATOM 0 HB2 PRO A 487 -10.478 -13.201 -7.013 1.00 71.52 H new ATOM 0 HB3 PRO A 487 -9.759 -11.728 -7.634 1.00 71.52 H new ATOM 0 HG2 PRO A 487 -11.696 -12.997 -8.988 1.00 63.12 H new ATOM 0 HG3 PRO A 487 -10.397 -12.173 -9.828 1.00 63.12 H new ATOM 0 HD2 PRO A 487 -10.801 -15.118 -9.403 1.00 72.31 H new ATOM 0 HD3 PRO A 487 -10.095 -14.287 -10.775 1.00 72.31 H new ATOM 792 N SER A 488 -7.039 -13.822 -6.157 1.00 61.32 N ATOM 793 CA SER A 488 -6.525 -14.366 -4.910 1.00 71.33 C ATOM 794 C SER A 488 -7.291 -13.795 -3.701 1.00 61.01 C ATOM 795 O SER A 488 -7.118 -14.236 -2.559 1.00 1.24 O ATOM 796 CB SER A 488 -5.053 -13.989 -4.801 1.00 32.53 C ATOM 797 OG SER A 488 -4.367 -14.313 -6.001 1.00 70.44 O ATOM 0 H SER A 488 -6.431 -13.120 -6.579 1.00 61.32 H new ATOM 0 HA SER A 488 -6.651 -15.449 -4.909 1.00 71.33 H new ATOM 0 HB2 SER A 488 -4.959 -12.922 -4.598 1.00 32.53 H new ATOM 0 HB3 SER A 488 -4.598 -14.515 -3.962 1.00 32.53 H new ATOM 0 HG SER A 488 -4.506 -13.601 -6.660 1.00 70.44 H new ATOM 803 N GLY A 489 -8.134 -12.813 -3.965 1.00 21.42 N ATOM 804 CA GLY A 489 -8.863 -12.154 -2.911 1.00 33.22 C ATOM 805 C GLY A 489 -8.061 -11.017 -2.354 1.00 42.41 C ATOM 806 O GLY A 489 -8.349 -10.506 -1.272 1.00 40.02 O ATOM 0 H GLY A 489 -8.327 -12.459 -4.902 1.00 21.42 H new ATOM 0 HA2 GLY A 489 -9.814 -11.784 -3.294 1.00 33.22 H new ATOM 0 HA3 GLY A 489 -9.094 -12.867 -2.119 1.00 33.22 H new ATOM 810 N ASP A 490 -7.067 -10.630 -3.106 1.00 5.32 N ATOM 811 CA ASP A 490 -6.141 -9.584 -2.754 1.00 41.33 C ATOM 812 C ASP A 490 -6.204 -8.623 -3.937 1.00 44.33 C ATOM 813 O ASP A 490 -6.202 -9.080 -5.088 1.00 41.11 O ATOM 814 CB ASP A 490 -4.734 -10.216 -2.646 1.00 31.25 C ATOM 815 CG ASP A 490 -3.724 -9.453 -1.793 1.00 54.22 C ATOM 816 OD1 ASP A 490 -3.185 -8.420 -2.225 1.00 51.44 O ATOM 817 OD2 ASP A 490 -3.370 -9.963 -0.693 1.00 53.43 O ATOM 0 H ASP A 490 -6.871 -11.049 -4.015 1.00 5.32 H new ATOM 0 HA ASP A 490 -6.365 -9.083 -1.812 1.00 41.33 H new ATOM 0 HB2 ASP A 490 -4.839 -11.221 -2.238 1.00 31.25 H new ATOM 0 HB3 ASP A 490 -4.326 -10.321 -3.651 1.00 31.25 H new ATOM 822 N ALA A 491 -6.327 -7.354 -3.695 1.00 53.50 N ATOM 823 CA ALA A 491 -6.503 -6.392 -4.779 1.00 31.01 C ATOM 824 C ALA A 491 -5.880 -5.066 -4.413 1.00 14.22 C ATOM 825 O ALA A 491 -5.558 -4.832 -3.256 1.00 20.44 O ATOM 826 CB ALA A 491 -7.992 -6.188 -5.045 1.00 14.22 C ATOM 0 H ALA A 491 -6.311 -6.944 -2.761 1.00 53.50 H new ATOM 0 HA ALA A 491 -6.015 -6.781 -5.673 1.00 31.01 H new ATOM 0 HB1 ALA A 491 -8.122 -5.470 -5.854 1.00 14.22 H new ATOM 0 HB2 ALA A 491 -8.445 -7.139 -5.327 1.00 14.22 H new ATOM 0 HB3 ALA A 491 -8.474 -5.810 -4.144 1.00 14.22 H new ATOM 832 N PHE A 492 -5.736 -4.205 -5.384 1.00 42.31 N ATOM 833 CA PHE A 492 -5.189 -2.882 -5.194 1.00 74.24 C ATOM 834 C PHE A 492 -6.034 -1.870 -5.942 1.00 33.21 C ATOM 835 O PHE A 492 -6.198 -1.955 -7.153 1.00 74.33 O ATOM 836 CB PHE A 492 -3.742 -2.791 -5.693 1.00 44.53 C ATOM 837 CG PHE A 492 -2.727 -3.528 -4.871 1.00 14.13 C ATOM 838 CD1 PHE A 492 -2.060 -2.882 -3.846 1.00 3.41 C ATOM 839 CD2 PHE A 492 -2.427 -4.853 -5.129 1.00 15.24 C ATOM 840 CE1 PHE A 492 -1.114 -3.543 -3.094 1.00 71.50 C ATOM 841 CE2 PHE A 492 -1.487 -5.519 -4.377 1.00 20.11 C ATOM 842 CZ PHE A 492 -0.828 -4.863 -3.358 1.00 44.42 C ATOM 0 H PHE A 492 -6.000 -4.404 -6.349 1.00 42.31 H new ATOM 0 HA PHE A 492 -5.197 -2.669 -4.125 1.00 74.24 H new ATOM 0 HB2 PHE A 492 -3.704 -3.172 -6.713 1.00 44.53 H new ATOM 0 HB3 PHE A 492 -3.456 -1.740 -5.735 1.00 44.53 H new ATOM 0 HD1 PHE A 492 -2.284 -1.847 -3.633 1.00 3.41 H new ATOM 0 HD2 PHE A 492 -2.936 -5.370 -5.929 1.00 15.24 H new ATOM 0 HE1 PHE A 492 -0.598 -3.026 -2.299 1.00 71.50 H new ATOM 0 HE2 PHE A 492 -1.265 -6.555 -4.584 1.00 20.11 H new ATOM 0 HZ PHE A 492 -0.089 -5.385 -2.768 1.00 44.42 H new ATOM 852 N ILE A 493 -6.566 -0.942 -5.234 1.00 71.14 N ATOM 853 CA ILE A 493 -7.367 0.108 -5.806 1.00 62.14 C ATOM 854 C ILE A 493 -6.592 1.404 -5.693 1.00 15.12 C ATOM 855 O ILE A 493 -6.054 1.712 -4.643 1.00 61.01 O ATOM 856 CB ILE A 493 -8.718 0.255 -5.052 1.00 20.33 C ATOM 857 CG1 ILE A 493 -9.592 -0.997 -5.229 1.00 53.25 C ATOM 858 CG2 ILE A 493 -9.463 1.517 -5.469 1.00 12.44 C ATOM 859 CD1 ILE A 493 -10.950 -0.911 -4.552 1.00 62.02 C ATOM 0 H ILE A 493 -6.463 -0.879 -4.221 1.00 71.14 H new ATOM 0 HA ILE A 493 -7.583 -0.132 -6.847 1.00 62.14 H new ATOM 0 HB ILE A 493 -8.489 0.353 -3.991 1.00 20.33 H new ATOM 0 HG12 ILE A 493 -9.740 -1.175 -6.294 1.00 53.25 H new ATOM 0 HG13 ILE A 493 -9.056 -1.859 -4.833 1.00 53.25 H new ATOM 0 HG21 ILE A 493 -10.402 1.583 -4.920 1.00 12.44 H new ATOM 0 HG22 ILE A 493 -8.851 2.391 -5.248 1.00 12.44 H new ATOM 0 HG23 ILE A 493 -9.670 1.481 -6.539 1.00 12.44 H new ATOM 0 HD11 ILE A 493 -11.502 -1.834 -4.726 1.00 62.02 H new ATOM 0 HD12 ILE A 493 -10.814 -0.766 -3.480 1.00 62.02 H new ATOM 0 HD13 ILE A 493 -11.509 -0.071 -4.964 1.00 62.02 H new ATOM 871 N GLN A 494 -6.519 2.129 -6.753 1.00 41.21 N ATOM 872 CA GLN A 494 -5.817 3.395 -6.749 1.00 23.53 C ATOM 873 C GLN A 494 -6.846 4.521 -6.716 1.00 25.52 C ATOM 874 O GLN A 494 -7.742 4.586 -7.579 1.00 55.31 O ATOM 875 CB GLN A 494 -4.919 3.515 -7.970 1.00 71.13 C ATOM 876 CG GLN A 494 -3.958 4.693 -7.926 1.00 11.34 C ATOM 877 CD GLN A 494 -3.148 4.809 -9.193 1.00 21.02 C ATOM 878 OE1 GLN A 494 -2.874 3.816 -9.866 1.00 11.24 O ATOM 879 NE2 GLN A 494 -2.764 5.995 -9.539 1.00 33.44 N ATOM 0 H GLN A 494 -6.936 1.877 -7.649 1.00 41.21 H new ATOM 0 HA GLN A 494 -5.178 3.460 -5.868 1.00 23.53 H new ATOM 0 HB2 GLN A 494 -4.344 2.595 -8.075 1.00 71.13 H new ATOM 0 HB3 GLN A 494 -5.544 3.604 -8.859 1.00 71.13 H new ATOM 0 HG2 GLN A 494 -4.520 5.614 -7.769 1.00 11.34 H new ATOM 0 HG3 GLN A 494 -3.286 4.581 -7.075 1.00 11.34 H new ATOM 0 HE21 GLN A 494 -3.007 6.799 -8.960 1.00 33.44 H new ATOM 0 HE22 GLN A 494 -2.218 6.126 -10.391 1.00 33.44 H new ATOM 888 N MET A 495 -6.727 5.388 -5.744 1.00 14.12 N ATOM 889 CA MET A 495 -7.705 6.435 -5.518 1.00 44.32 C ATOM 890 C MET A 495 -7.249 7.750 -6.110 1.00 73.25 C ATOM 891 O MET A 495 -6.141 7.870 -6.610 1.00 22.51 O ATOM 892 CB MET A 495 -7.946 6.611 -4.015 1.00 61.14 C ATOM 893 CG MET A 495 -8.391 5.343 -3.321 1.00 22.11 C ATOM 894 SD MET A 495 -10.022 4.766 -3.827 1.00 53.24 S ATOM 895 CE MET A 495 -11.074 5.973 -3.031 1.00 51.13 C ATOM 0 H MET A 495 -5.950 5.393 -5.083 1.00 14.12 H new ATOM 0 HA MET A 495 -8.632 6.138 -6.009 1.00 44.32 H new ATOM 0 HB2 MET A 495 -7.028 6.968 -3.548 1.00 61.14 H new ATOM 0 HB3 MET A 495 -8.702 7.382 -3.864 1.00 61.14 H new ATOM 0 HG2 MET A 495 -7.661 4.558 -3.518 1.00 22.11 H new ATOM 0 HG3 MET A 495 -8.394 5.512 -2.244 1.00 22.11 H new ATOM 0 HE1 MET A 495 -12.105 5.824 -3.351 1.00 51.13 H new ATOM 0 HE2 MET A 495 -11.009 5.855 -1.949 1.00 51.13 H new ATOM 0 HE3 MET A 495 -10.750 6.976 -3.307 1.00 51.13 H new ATOM 905 N LYS A 496 -8.127 8.716 -6.033 1.00 3.43 N ATOM 906 CA LYS A 496 -7.920 10.073 -6.523 1.00 52.11 C ATOM 907 C LYS A 496 -6.933 10.819 -5.632 1.00 21.33 C ATOM 908 O LYS A 496 -6.126 11.629 -6.097 1.00 22.10 O ATOM 909 CB LYS A 496 -9.269 10.761 -6.420 1.00 53.23 C ATOM 910 CG LYS A 496 -9.400 12.141 -7.054 1.00 60.42 C ATOM 911 CD LYS A 496 -10.786 12.733 -6.768 1.00 34.32 C ATOM 912 CE LYS A 496 -11.902 11.894 -7.381 1.00 0.20 C ATOM 913 NZ LYS A 496 -13.242 12.317 -6.939 1.00 44.12 N ATOM 0 H LYS A 496 -9.046 8.583 -5.612 1.00 3.43 H new ATOM 0 HA LYS A 496 -7.526 10.061 -7.539 1.00 52.11 H new ATOM 0 HB2 LYS A 496 -10.016 10.109 -6.874 1.00 53.23 H new ATOM 0 HB3 LYS A 496 -9.523 10.850 -5.364 1.00 53.23 H new ATOM 0 HG2 LYS A 496 -8.627 12.803 -6.662 1.00 60.42 H new ATOM 0 HG3 LYS A 496 -9.243 12.070 -8.130 1.00 60.42 H new ATOM 0 HD2 LYS A 496 -10.935 12.803 -5.691 1.00 34.32 H new ATOM 0 HD3 LYS A 496 -10.836 13.747 -7.164 1.00 34.32 H new ATOM 0 HE2 LYS A 496 -11.845 11.960 -8.468 1.00 0.20 H new ATOM 0 HE3 LYS A 496 -11.751 10.847 -7.117 1.00 0.20 H new ATOM 0 HZ1 LYS A 496 -13.957 11.672 -7.332 1.00 44.12 H new ATOM 0 HZ2 LYS A 496 -13.288 12.294 -5.900 1.00 44.12 H new ATOM 0 HZ3 LYS A 496 -13.428 13.284 -7.273 1.00 44.12 H new ATOM 927 N SER A 497 -6.998 10.517 -4.361 1.00 63.41 N ATOM 928 CA SER A 497 -6.270 11.221 -3.362 1.00 25.01 C ATOM 929 C SER A 497 -5.985 10.299 -2.177 1.00 70.41 C ATOM 930 O SER A 497 -6.749 9.339 -1.926 1.00 21.21 O ATOM 931 CB SER A 497 -7.109 12.435 -2.922 1.00 75.25 C ATOM 932 OG SER A 497 -6.526 13.135 -1.850 1.00 22.54 O ATOM 0 H SER A 497 -7.573 9.758 -3.994 1.00 63.41 H new ATOM 0 HA SER A 497 -5.313 11.562 -3.757 1.00 25.01 H new ATOM 0 HB2 SER A 497 -7.234 13.111 -3.768 1.00 75.25 H new ATOM 0 HB3 SER A 497 -8.105 12.098 -2.633 1.00 75.25 H new ATOM 0 HG SER A 497 -7.094 13.896 -1.609 1.00 22.54 H new ATOM 938 N ALA A 498 -4.911 10.596 -1.456 1.00 2.24 N ATOM 939 CA ALA A 498 -4.491 9.847 -0.288 1.00 71.43 C ATOM 940 C ALA A 498 -5.514 9.955 0.814 1.00 11.24 C ATOM 941 O ALA A 498 -5.734 9.009 1.547 1.00 3.11 O ATOM 942 CB ALA A 498 -3.149 10.348 0.203 1.00 2.04 C ATOM 0 H ALA A 498 -4.298 11.381 -1.675 1.00 2.24 H new ATOM 0 HA ALA A 498 -4.397 8.799 -0.573 1.00 71.43 H new ATOM 0 HB1 ALA A 498 -2.846 9.777 1.080 1.00 2.04 H new ATOM 0 HB2 ALA A 498 -2.405 10.226 -0.584 1.00 2.04 H new ATOM 0 HB3 ALA A 498 -3.229 11.403 0.467 1.00 2.04 H new ATOM 948 N ASP A 499 -6.169 11.106 0.884 1.00 1.23 N ATOM 949 CA ASP A 499 -7.210 11.381 1.898 1.00 41.32 C ATOM 950 C ASP A 499 -8.323 10.376 1.777 1.00 55.22 C ATOM 951 O ASP A 499 -8.753 9.740 2.748 1.00 51.14 O ATOM 952 CB ASP A 499 -7.794 12.778 1.667 1.00 3.54 C ATOM 953 CG ASP A 499 -8.996 13.101 2.549 1.00 61.43 C ATOM 954 OD1 ASP A 499 -8.816 13.789 3.587 1.00 11.31 O ATOM 955 OD2 ASP A 499 -10.146 12.722 2.189 1.00 12.42 O ATOM 0 H ASP A 499 -6.003 11.883 0.245 1.00 1.23 H new ATOM 0 HA ASP A 499 -6.759 11.318 2.888 1.00 41.32 H new ATOM 0 HB2 ASP A 499 -7.016 13.520 1.845 1.00 3.54 H new ATOM 0 HB3 ASP A 499 -8.088 12.869 0.621 1.00 3.54 H new ATOM 960 N ARG A 500 -8.736 10.219 0.568 1.00 25.51 N ATOM 961 CA ARG A 500 -9.825 9.363 0.205 1.00 23.14 C ATOM 962 C ARG A 500 -9.459 7.920 0.483 1.00 44.24 C ATOM 963 O ARG A 500 -10.256 7.155 1.013 1.00 3.21 O ATOM 964 CB ARG A 500 -10.123 9.572 -1.269 1.00 74.00 C ATOM 965 CG ARG A 500 -10.356 11.043 -1.670 1.00 31.55 C ATOM 966 CD ARG A 500 -11.695 11.619 -1.199 1.00 65.43 C ATOM 967 NE ARG A 500 -11.890 11.634 0.253 1.00 74.34 N ATOM 968 CZ ARG A 500 -13.055 11.353 0.849 1.00 10.32 C ATOM 969 NH1 ARG A 500 -14.116 10.940 0.129 1.00 64.41 N ATOM 970 NH2 ARG A 500 -13.159 11.465 2.157 1.00 44.51 N ATOM 0 H ARG A 500 -8.314 10.697 -0.228 1.00 25.51 H new ATOM 0 HA ARG A 500 -10.712 9.602 0.792 1.00 23.14 H new ATOM 0 HB2 ARG A 500 -9.293 9.176 -1.855 1.00 74.00 H new ATOM 0 HB3 ARG A 500 -11.007 8.992 -1.534 1.00 74.00 H new ATOM 0 HG2 ARG A 500 -9.548 11.651 -1.262 1.00 31.55 H new ATOM 0 HG3 ARG A 500 -10.300 11.125 -2.755 1.00 31.55 H new ATOM 0 HD2 ARG A 500 -11.785 12.639 -1.572 1.00 65.43 H new ATOM 0 HD3 ARG A 500 -12.501 11.041 -1.652 1.00 65.43 H new ATOM 0 HE ARG A 500 -11.093 11.872 0.843 1.00 74.34 H new ATOM 0 HH11 ARG A 500 -14.037 10.838 -0.883 1.00 64.41 H new ATOM 0 HH12 ARG A 500 -14.998 10.729 0.596 1.00 64.41 H new ATOM 0 HH21 ARG A 500 -12.355 11.764 2.709 1.00 44.51 H new ATOM 0 HH22 ARG A 500 -14.044 11.253 2.618 1.00 44.51 H new ATOM 984 N ALA A 501 -8.232 7.583 0.168 1.00 5.34 N ATOM 985 CA ALA A 501 -7.721 6.247 0.388 1.00 64.40 C ATOM 986 C ALA A 501 -7.621 5.952 1.873 1.00 4.44 C ATOM 987 O ALA A 501 -7.976 4.873 2.325 1.00 73.32 O ATOM 988 CB ALA A 501 -6.365 6.076 -0.274 1.00 4.40 C ATOM 0 H ALA A 501 -7.558 8.225 -0.248 1.00 5.34 H new ATOM 0 HA ALA A 501 -8.417 5.539 -0.061 1.00 64.40 H new ATOM 0 HB1 ALA A 501 -5.998 5.065 -0.097 1.00 4.40 H new ATOM 0 HB2 ALA A 501 -6.460 6.245 -1.347 1.00 4.40 H new ATOM 0 HB3 ALA A 501 -5.662 6.796 0.146 1.00 4.40 H new ATOM 994 N PHE A 502 -7.173 6.937 2.620 1.00 72.15 N ATOM 995 CA PHE A 502 -6.980 6.821 4.048 1.00 53.23 C ATOM 996 C PHE A 502 -8.312 6.637 4.764 1.00 51.34 C ATOM 997 O PHE A 502 -8.415 5.845 5.703 1.00 74.02 O ATOM 998 CB PHE A 502 -6.207 8.050 4.564 1.00 1.24 C ATOM 999 CG PHE A 502 -5.847 8.042 6.026 1.00 52.31 C ATOM 1000 CD1 PHE A 502 -4.896 7.160 6.515 1.00 10.12 C ATOM 1001 CD2 PHE A 502 -6.433 8.942 6.903 1.00 13.52 C ATOM 1002 CE1 PHE A 502 -4.539 7.174 7.848 1.00 63.22 C ATOM 1003 CE2 PHE A 502 -6.083 8.958 8.237 1.00 73.52 C ATOM 1004 CZ PHE A 502 -5.134 8.073 8.711 1.00 24.20 C ATOM 0 H PHE A 502 -6.929 7.854 2.247 1.00 72.15 H new ATOM 0 HA PHE A 502 -6.386 5.933 4.263 1.00 53.23 H new ATOM 0 HB2 PHE A 502 -5.288 8.145 3.985 1.00 1.24 H new ATOM 0 HB3 PHE A 502 -6.804 8.940 4.363 1.00 1.24 H new ATOM 0 HD1 PHE A 502 -4.429 6.453 5.845 1.00 10.12 H new ATOM 0 HD2 PHE A 502 -7.172 9.639 6.537 1.00 13.52 H new ATOM 0 HE1 PHE A 502 -3.795 6.483 8.216 1.00 63.22 H new ATOM 0 HE2 PHE A 502 -6.550 9.662 8.910 1.00 73.52 H new ATOM 0 HZ PHE A 502 -4.858 8.084 9.755 1.00 24.20 H new ATOM 1014 N MET A 503 -9.342 7.322 4.308 1.00 40.53 N ATOM 1015 CA MET A 503 -10.638 7.152 4.924 1.00 64.02 C ATOM 1016 C MET A 503 -11.273 5.840 4.500 1.00 14.33 C ATOM 1017 O MET A 503 -11.915 5.164 5.306 1.00 51.33 O ATOM 1018 CB MET A 503 -11.581 8.320 4.667 1.00 1.44 C ATOM 1019 CG MET A 503 -11.157 9.631 5.303 1.00 22.00 C ATOM 1020 SD MET A 503 -12.408 10.928 5.112 1.00 54.43 S ATOM 1021 CE MET A 503 -13.790 10.222 6.028 1.00 62.32 C ATOM 0 H MET A 503 -9.309 7.985 3.533 1.00 40.53 H new ATOM 0 HA MET A 503 -10.465 7.127 6.000 1.00 64.02 H new ATOM 0 HB2 MET A 503 -11.671 8.467 3.591 1.00 1.44 H new ATOM 0 HB3 MET A 503 -12.572 8.057 5.036 1.00 1.44 H new ATOM 0 HG2 MET A 503 -10.962 9.471 6.363 1.00 22.00 H new ATOM 0 HG3 MET A 503 -10.221 9.964 4.854 1.00 22.00 H new ATOM 0 HE1 MET A 503 -14.449 11.022 6.366 1.00 62.32 H new ATOM 0 HE2 MET A 503 -14.346 9.543 5.382 1.00 62.32 H new ATOM 0 HE3 MET A 503 -13.412 9.674 6.891 1.00 62.32 H new ATOM 1031 N ALA A 504 -11.055 5.460 3.251 1.00 31.02 N ATOM 1032 CA ALA A 504 -11.594 4.219 2.721 1.00 61.25 C ATOM 1033 C ALA A 504 -10.962 3.025 3.411 1.00 75.22 C ATOM 1034 O ALA A 504 -11.655 2.060 3.764 1.00 63.34 O ATOM 1035 CB ALA A 504 -11.390 4.135 1.219 1.00 64.04 C ATOM 0 H ALA A 504 -10.504 5.998 2.582 1.00 31.02 H new ATOM 0 HA ALA A 504 -12.666 4.206 2.918 1.00 61.25 H new ATOM 0 HB1 ALA A 504 -11.802 3.197 0.848 1.00 64.04 H new ATOM 0 HB2 ALA A 504 -11.897 4.970 0.736 1.00 64.04 H new ATOM 0 HB3 ALA A 504 -10.324 4.177 0.994 1.00 64.04 H new ATOM 1041 N ALA A 505 -9.654 3.106 3.638 1.00 12.44 N ATOM 1042 CA ALA A 505 -8.930 2.050 4.308 1.00 41.44 C ATOM 1043 C ALA A 505 -9.354 1.956 5.747 1.00 55.24 C ATOM 1044 O ALA A 505 -9.462 0.884 6.282 1.00 40.52 O ATOM 1045 CB ALA A 505 -7.429 2.249 4.197 1.00 51.42 C ATOM 0 H ALA A 505 -9.078 3.901 3.362 1.00 12.44 H new ATOM 0 HA ALA A 505 -9.172 1.109 3.813 1.00 41.44 H new ATOM 0 HB1 ALA A 505 -6.915 1.437 4.712 1.00 51.42 H new ATOM 0 HB2 ALA A 505 -7.139 2.253 3.146 1.00 51.42 H new ATOM 0 HB3 ALA A 505 -7.153 3.200 4.653 1.00 51.42 H new ATOM 1051 N GLN A 506 -9.629 3.088 6.351 1.00 1.12 N ATOM 1052 CA GLN A 506 -10.085 3.128 7.720 1.00 62.20 C ATOM 1053 C GLN A 506 -11.461 2.495 7.852 1.00 42.14 C ATOM 1054 O GLN A 506 -11.687 1.672 8.753 1.00 44.20 O ATOM 1055 CB GLN A 506 -10.015 4.575 8.256 1.00 72.42 C ATOM 1056 CG GLN A 506 -10.624 4.845 9.642 1.00 5.32 C ATOM 1057 CD GLN A 506 -12.089 5.242 9.593 1.00 54.44 C ATOM 1058 OE1 GLN A 506 -12.986 4.405 9.655 1.00 72.03 O ATOM 1059 NE2 GLN A 506 -12.334 6.518 9.467 1.00 75.14 N ATOM 0 H GLN A 506 -9.543 4.003 5.909 1.00 1.12 H new ATOM 0 HA GLN A 506 -9.424 2.529 8.346 1.00 62.20 H new ATOM 0 HB2 GLN A 506 -8.967 4.874 8.284 1.00 72.42 H new ATOM 0 HB3 GLN A 506 -10.513 5.225 7.537 1.00 72.42 H new ATOM 0 HG2 GLN A 506 -10.518 3.951 10.257 1.00 5.32 H new ATOM 0 HG3 GLN A 506 -10.057 5.637 10.131 1.00 5.32 H new ATOM 0 HE21 GLN A 506 -11.562 7.183 9.419 1.00 75.14 H new ATOM 0 HE22 GLN A 506 -13.297 6.850 9.417 1.00 75.14 H new ATOM 1068 N LYS A 507 -12.343 2.836 6.938 1.00 54.13 N ATOM 1069 CA LYS A 507 -13.704 2.331 6.941 1.00 14.03 C ATOM 1070 C LYS A 507 -13.736 0.814 6.748 1.00 50.01 C ATOM 1071 O LYS A 507 -14.448 0.100 7.456 1.00 13.35 O ATOM 1072 CB LYS A 507 -14.524 3.018 5.832 1.00 53.54 C ATOM 1073 CG LYS A 507 -15.951 2.504 5.713 1.00 73.21 C ATOM 1074 CD LYS A 507 -16.704 3.156 4.570 1.00 42.11 C ATOM 1075 CE LYS A 507 -18.089 2.549 4.431 1.00 1.41 C ATOM 1076 NZ LYS A 507 -18.860 3.152 3.330 1.00 44.04 N ATOM 0 H LYS A 507 -12.139 3.473 6.168 1.00 54.13 H new ATOM 0 HA LYS A 507 -14.144 2.558 7.912 1.00 14.03 H new ATOM 0 HB2 LYS A 507 -14.549 4.091 6.024 1.00 53.54 H new ATOM 0 HB3 LYS A 507 -14.016 2.877 4.878 1.00 53.54 H new ATOM 0 HG2 LYS A 507 -15.935 1.424 5.565 1.00 73.21 H new ATOM 0 HG3 LYS A 507 -16.481 2.690 6.647 1.00 73.21 H new ATOM 0 HD2 LYS A 507 -16.787 4.229 4.746 1.00 42.11 H new ATOM 0 HD3 LYS A 507 -16.149 3.027 3.641 1.00 42.11 H new ATOM 0 HE2 LYS A 507 -17.997 1.476 4.261 1.00 1.41 H new ATOM 0 HE3 LYS A 507 -18.634 2.678 5.366 1.00 1.41 H new ATOM 0 HZ1 LYS A 507 -19.697 2.568 3.132 1.00 44.04 H new ATOM 0 HZ2 LYS A 507 -19.162 4.110 3.601 1.00 44.04 H new ATOM 0 HZ3 LYS A 507 -18.266 3.205 2.478 1.00 44.04 H new ATOM 1090 N CYS A 508 -12.940 0.334 5.832 1.00 11.44 N ATOM 1091 CA CYS A 508 -12.973 -1.047 5.455 1.00 54.05 C ATOM 1092 C CYS A 508 -11.835 -1.858 6.080 1.00 45.31 C ATOM 1093 O CYS A 508 -11.595 -3.007 5.684 1.00 43.43 O ATOM 1094 CB CYS A 508 -12.947 -1.142 3.937 1.00 41.11 C ATOM 1095 SG CYS A 508 -14.164 -0.078 3.124 1.00 33.42 S ATOM 0 H CYS A 508 -12.251 0.892 5.327 1.00 11.44 H new ATOM 0 HA CYS A 508 -13.895 -1.485 5.839 1.00 54.05 H new ATOM 0 HB2 CYS A 508 -11.951 -0.878 3.582 1.00 41.11 H new ATOM 0 HB3 CYS A 508 -13.127 -2.176 3.643 1.00 41.11 H new ATOM 0 HG CYS A 508 -13.709 1.138 3.068 1.00 33.42 H new ATOM 1101 N HIS A 509 -11.119 -1.285 7.032 1.00 51.21 N ATOM 1102 CA HIS A 509 -10.091 -2.039 7.711 1.00 60.41 C ATOM 1103 C HIS A 509 -10.743 -3.087 8.598 1.00 62.12 C ATOM 1104 O HIS A 509 -11.243 -2.775 9.691 1.00 63.24 O ATOM 1105 CB HIS A 509 -9.149 -1.145 8.522 1.00 23.30 C ATOM 1106 CG HIS A 509 -7.915 -1.855 8.996 1.00 1.32 C ATOM 1107 ND1 HIS A 509 -6.792 -2.021 8.221 1.00 75.33 N ATOM 1108 CD2 HIS A 509 -7.644 -2.450 10.176 1.00 64.53 C ATOM 1109 CE1 HIS A 509 -5.889 -2.688 8.926 1.00 3.42 C ATOM 1110 NE2 HIS A 509 -6.353 -2.981 10.132 1.00 62.33 N ATOM 0 H HIS A 509 -11.230 -0.320 7.344 1.00 51.21 H new ATOM 0 HA HIS A 509 -9.475 -2.528 6.956 1.00 60.41 H new ATOM 0 HB2 HIS A 509 -8.856 -0.291 7.912 1.00 23.30 H new ATOM 0 HB3 HIS A 509 -9.687 -0.751 9.385 1.00 23.30 H new ATOM 0 HD1 HIS A 509 -6.673 -1.687 7.264 1.00 75.33 H new ATOM 0 HD2 HIS A 509 -8.317 -2.507 11.019 1.00 64.53 H new ATOM 0 HE1 HIS A 509 -4.907 -2.957 8.566 1.00 3.42 H new ATOM 1118 N LYS A 510 -10.809 -4.291 8.060 1.00 34.01 N ATOM 1119 CA LYS A 510 -11.382 -5.453 8.693 1.00 4.11 C ATOM 1120 C LYS A 510 -12.874 -5.270 8.869 1.00 44.15 C ATOM 1121 O LYS A 510 -13.395 -5.071 9.966 1.00 15.44 O ATOM 1122 CB LYS A 510 -10.651 -5.838 9.976 1.00 43.33 C ATOM 1123 CG LYS A 510 -11.118 -7.141 10.614 1.00 11.04 C ATOM 1124 CD LYS A 510 -10.276 -7.496 11.829 1.00 74.12 C ATOM 1125 CE LYS A 510 -8.827 -7.778 11.447 1.00 23.33 C ATOM 1126 NZ LYS A 510 -8.001 -8.088 12.625 1.00 63.34 N ATOM 0 H LYS A 510 -10.447 -4.489 7.127 1.00 34.01 H new ATOM 0 HA LYS A 510 -11.243 -6.310 8.034 1.00 4.11 H new ATOM 0 HB2 LYS A 510 -9.586 -5.918 9.760 1.00 43.33 H new ATOM 0 HB3 LYS A 510 -10.770 -5.032 10.701 1.00 43.33 H new ATOM 0 HG2 LYS A 510 -12.164 -7.050 10.908 1.00 11.04 H new ATOM 0 HG3 LYS A 510 -11.062 -7.947 9.882 1.00 11.04 H new ATOM 0 HD2 LYS A 510 -10.310 -6.677 12.548 1.00 74.12 H new ATOM 0 HD3 LYS A 510 -10.699 -8.371 12.322 1.00 74.12 H new ATOM 0 HE2 LYS A 510 -8.792 -8.614 10.748 1.00 23.33 H new ATOM 0 HE3 LYS A 510 -8.412 -6.913 10.930 1.00 23.33 H new ATOM 0 HZ1 LYS A 510 -7.023 -8.274 12.324 1.00 63.34 H new ATOM 0 HZ2 LYS A 510 -8.014 -7.281 13.280 1.00 63.34 H new ATOM 0 HZ3 LYS A 510 -8.381 -8.929 13.104 1.00 63.34 H new ATOM 1140 N LYS A 511 -13.516 -5.224 7.756 1.00 2.15 N ATOM 1141 CA LYS A 511 -14.911 -5.080 7.651 1.00 51.04 C ATOM 1142 C LYS A 511 -15.493 -6.359 7.086 1.00 41.31 C ATOM 1143 O LYS A 511 -14.901 -6.984 6.222 1.00 65.12 O ATOM 1144 CB LYS A 511 -15.191 -3.918 6.721 1.00 72.43 C ATOM 1145 CG LYS A 511 -16.649 -3.631 6.430 1.00 62.23 C ATOM 1146 CD LYS A 511 -17.412 -3.202 7.651 1.00 40.24 C ATOM 1147 CE LYS A 511 -18.836 -2.871 7.275 1.00 40.43 C ATOM 1148 NZ LYS A 511 -19.601 -2.331 8.401 1.00 65.13 N ATOM 0 H LYS A 511 -13.051 -5.290 6.851 1.00 2.15 H new ATOM 0 HA LYS A 511 -15.362 -4.888 8.625 1.00 51.04 H new ATOM 0 HB2 LYS A 511 -14.744 -3.021 7.149 1.00 72.43 H new ATOM 0 HB3 LYS A 511 -14.683 -4.106 5.775 1.00 72.43 H new ATOM 0 HG2 LYS A 511 -16.717 -2.851 5.672 1.00 62.23 H new ATOM 0 HG3 LYS A 511 -17.114 -4.524 6.011 1.00 62.23 H new ATOM 0 HD2 LYS A 511 -17.399 -3.997 8.397 1.00 40.24 H new ATOM 0 HD3 LYS A 511 -16.934 -2.333 8.103 1.00 40.24 H new ATOM 0 HE2 LYS A 511 -18.835 -2.147 6.460 1.00 40.43 H new ATOM 0 HE3 LYS A 511 -19.328 -3.769 6.903 1.00 40.43 H new ATOM 0 HZ1 LYS A 511 -20.571 -2.120 8.092 1.00 65.13 H new ATOM 0 HZ2 LYS A 511 -19.627 -3.030 9.170 1.00 65.13 H new ATOM 0 HZ3 LYS A 511 -19.149 -1.459 8.742 1.00 65.13 H new ATOM 1162 N ASN A 512 -16.611 -6.758 7.586 1.00 13.14 N ATOM 1163 CA ASN A 512 -17.272 -7.929 7.050 1.00 12.01 C ATOM 1164 C ASN A 512 -18.145 -7.556 5.881 1.00 41.52 C ATOM 1165 O ASN A 512 -18.897 -6.586 5.931 1.00 72.41 O ATOM 1166 CB ASN A 512 -18.057 -8.747 8.105 1.00 34.32 C ATOM 1167 CG ASN A 512 -19.041 -7.937 8.931 1.00 20.30 C ATOM 1168 OD1 ASN A 512 -18.685 -7.435 9.999 1.00 1.15 O ATOM 1169 ND2 ASN A 512 -20.260 -7.802 8.472 1.00 10.11 N ATOM 0 H ASN A 512 -17.096 -6.304 8.360 1.00 13.14 H new ATOM 0 HA ASN A 512 -16.480 -8.593 6.704 1.00 12.01 H new ATOM 0 HB2 ASN A 512 -18.600 -9.544 7.597 1.00 34.32 H new ATOM 0 HB3 ASN A 512 -17.345 -9.225 8.778 1.00 34.32 H new ATOM 0 HD21 ASN A 512 -20.948 -7.268 9.002 1.00 10.11 H new ATOM 0 HD22 ASN A 512 -20.521 -8.231 7.584 1.00 10.11 H new ATOM 1176 N MET A 513 -18.014 -8.306 4.832 1.00 42.54 N ATOM 1177 CA MET A 513 -18.771 -8.117 3.643 1.00 24.33 C ATOM 1178 C MET A 513 -19.572 -9.376 3.453 1.00 11.11 C ATOM 1179 O MET A 513 -19.083 -10.371 2.894 1.00 14.43 O ATOM 1180 CB MET A 513 -17.845 -7.844 2.448 1.00 72.21 C ATOM 1181 CG MET A 513 -18.555 -7.447 1.161 1.00 10.33 C ATOM 1182 SD MET A 513 -17.388 -7.091 -0.180 1.00 22.02 S ATOM 1183 CE MET A 513 -18.492 -6.548 -1.477 1.00 32.32 C ATOM 0 H MET A 513 -17.359 -9.086 4.782 1.00 42.54 H new ATOM 0 HA MET A 513 -19.429 -7.251 3.717 1.00 24.33 H new ATOM 0 HB2 MET A 513 -17.149 -7.051 2.721 1.00 72.21 H new ATOM 0 HB3 MET A 513 -17.251 -8.737 2.257 1.00 72.21 H new ATOM 0 HG2 MET A 513 -19.225 -8.250 0.854 1.00 10.33 H new ATOM 0 HG3 MET A 513 -19.174 -6.569 1.345 1.00 10.33 H new ATOM 0 HE1 MET A 513 -17.930 -6.414 -2.401 1.00 32.32 H new ATOM 0 HE2 MET A 513 -19.269 -7.297 -1.630 1.00 32.32 H new ATOM 0 HE3 MET A 513 -18.951 -5.602 -1.191 1.00 32.32 H new ATOM 1193 N LYS A 514 -20.744 -9.363 4.055 1.00 63.42 N ATOM 1194 CA LYS A 514 -21.673 -10.478 4.090 1.00 21.14 C ATOM 1195 C LYS A 514 -21.176 -11.636 4.928 1.00 63.24 C ATOM 1196 O LYS A 514 -21.507 -11.749 6.116 1.00 55.42 O ATOM 1197 CB LYS A 514 -22.147 -10.942 2.691 1.00 4.55 C ATOM 1198 CG LYS A 514 -23.105 -9.980 1.992 1.00 32.53 C ATOM 1199 CD LYS A 514 -24.387 -9.762 2.804 1.00 55.20 C ATOM 1200 CE LYS A 514 -25.182 -11.058 3.006 1.00 74.01 C ATOM 1201 NZ LYS A 514 -26.358 -10.861 3.881 1.00 52.44 N ATOM 0 H LYS A 514 -21.091 -8.543 4.554 1.00 63.42 H new ATOM 0 HA LYS A 514 -22.557 -10.082 4.589 1.00 21.14 H new ATOM 0 HB2 LYS A 514 -21.273 -11.089 2.056 1.00 4.55 H new ATOM 0 HB3 LYS A 514 -22.635 -11.912 2.790 1.00 4.55 H new ATOM 0 HG2 LYS A 514 -22.608 -9.023 1.834 1.00 32.53 H new ATOM 0 HG3 LYS A 514 -23.361 -10.373 1.008 1.00 32.53 H new ATOM 0 HD2 LYS A 514 -24.130 -9.342 3.776 1.00 55.20 H new ATOM 0 HD3 LYS A 514 -25.015 -9.030 2.296 1.00 55.20 H new ATOM 0 HE2 LYS A 514 -25.511 -11.435 2.038 1.00 74.01 H new ATOM 0 HE3 LYS A 514 -24.532 -11.817 3.440 1.00 74.01 H new ATOM 0 HZ1 LYS A 514 -26.865 -11.763 3.989 1.00 52.44 H new ATOM 0 HZ2 LYS A 514 -26.044 -10.526 4.814 1.00 52.44 H new ATOM 0 HZ3 LYS A 514 -26.993 -10.156 3.456 1.00 52.44 H new ATOM 1215 N ASP A 515 -20.370 -12.458 4.340 1.00 1.42 N ATOM 1216 CA ASP A 515 -19.929 -13.674 4.978 1.00 1.30 C ATOM 1217 C ASP A 515 -18.427 -13.711 5.080 1.00 63.50 C ATOM 1218 O ASP A 515 -17.854 -14.548 5.769 1.00 42.04 O ATOM 1219 CB ASP A 515 -20.413 -14.903 4.192 1.00 54.22 C ATOM 1220 CG ASP A 515 -21.899 -14.900 3.917 1.00 70.13 C ATOM 1221 OD1 ASP A 515 -22.313 -14.479 2.809 1.00 43.34 O ATOM 1222 OD2 ASP A 515 -22.689 -15.313 4.801 1.00 42.22 O ATOM 0 H ASP A 515 -19.993 -12.314 3.403 1.00 1.42 H new ATOM 0 HA ASP A 515 -20.355 -13.695 5.981 1.00 1.30 H new ATOM 0 HB2 ASP A 515 -19.877 -14.952 3.244 1.00 54.22 H new ATOM 0 HB3 ASP A 515 -20.157 -15.804 4.750 1.00 54.22 H new ATOM 1227 N ARG A 516 -17.800 -12.789 4.428 1.00 11.42 N ATOM 1228 CA ARG A 516 -16.371 -12.775 4.326 1.00 23.12 C ATOM 1229 C ARG A 516 -15.851 -11.545 5.035 1.00 71.45 C ATOM 1230 O ARG A 516 -16.578 -10.580 5.208 1.00 24.42 O ATOM 1231 CB ARG A 516 -16.004 -12.725 2.848 1.00 41.51 C ATOM 1232 CG ARG A 516 -14.530 -12.877 2.512 1.00 31.43 C ATOM 1233 CD ARG A 516 -13.977 -14.237 2.882 1.00 25.45 C ATOM 1234 NE ARG A 516 -12.564 -14.367 2.500 1.00 12.34 N ATOM 1235 CZ ARG A 516 -11.801 -15.439 2.757 1.00 54.23 C ATOM 1236 NH1 ARG A 516 -12.297 -16.455 3.442 1.00 35.31 N ATOM 1237 NH2 ARG A 516 -10.547 -15.484 2.327 1.00 23.21 N ATOM 0 H ARG A 516 -18.263 -12.018 3.947 1.00 11.42 H new ATOM 0 HA ARG A 516 -15.933 -13.663 4.782 1.00 23.12 H new ATOM 0 HB2 ARG A 516 -16.555 -13.512 2.333 1.00 41.51 H new ATOM 0 HB3 ARG A 516 -16.351 -11.775 2.442 1.00 41.51 H new ATOM 0 HG2 ARG A 516 -14.387 -12.711 1.444 1.00 31.43 H new ATOM 0 HG3 ARG A 516 -13.963 -12.106 3.033 1.00 31.43 H new ATOM 0 HD2 ARG A 516 -14.080 -14.393 3.956 1.00 25.45 H new ATOM 0 HD3 ARG A 516 -14.561 -15.014 2.389 1.00 25.45 H new ATOM 0 HE ARG A 516 -12.133 -13.587 2.004 1.00 12.34 H new ATOM 0 HH11 ARG A 516 -13.261 -16.424 3.775 1.00 35.31 H new ATOM 0 HH12 ARG A 516 -11.716 -17.270 3.637 1.00 35.31 H new ATOM 0 HH21 ARG A 516 -10.160 -14.701 1.799 1.00 23.21 H new ATOM 0 HH22 ARG A 516 -9.969 -16.301 2.524 1.00 23.21 H new ATOM 1251 N TYR A 517 -14.629 -11.581 5.454 1.00 10.02 N ATOM 1252 CA TYR A 517 -14.020 -10.449 6.083 1.00 43.45 C ATOM 1253 C TYR A 517 -13.007 -9.855 5.176 1.00 61.32 C ATOM 1254 O TYR A 517 -12.053 -10.514 4.772 1.00 63.22 O ATOM 1255 CB TYR A 517 -13.374 -10.802 7.397 1.00 64.53 C ATOM 1256 CG TYR A 517 -14.345 -11.149 8.499 1.00 50.54 C ATOM 1257 CD1 TYR A 517 -14.813 -10.160 9.351 1.00 41.13 C ATOM 1258 CD2 TYR A 517 -14.793 -12.450 8.693 1.00 34.54 C ATOM 1259 CE1 TYR A 517 -15.699 -10.451 10.362 1.00 62.14 C ATOM 1260 CE2 TYR A 517 -15.684 -12.750 9.707 1.00 64.14 C ATOM 1261 CZ TYR A 517 -16.132 -11.743 10.538 1.00 73.13 C ATOM 1262 OH TYR A 517 -17.014 -12.027 11.551 1.00 4.23 O ATOM 0 H TYR A 517 -14.021 -12.396 5.371 1.00 10.02 H new ATOM 0 HA TYR A 517 -14.811 -9.728 6.289 1.00 43.45 H new ATOM 0 HB2 TYR A 517 -12.703 -11.647 7.242 1.00 64.53 H new ATOM 0 HB3 TYR A 517 -12.760 -9.962 7.722 1.00 64.53 H new ATOM 0 HD1 TYR A 517 -14.476 -9.143 9.218 1.00 41.13 H new ATOM 0 HD2 TYR A 517 -14.441 -13.237 8.043 1.00 34.54 H new ATOM 0 HE1 TYR A 517 -16.053 -9.667 11.015 1.00 62.14 H new ATOM 0 HE2 TYR A 517 -16.027 -13.764 9.848 1.00 64.14 H new ATOM 0 HH TYR A 517 -17.224 -12.984 11.543 1.00 4.23 H new ATOM 1272 N VAL A 518 -13.213 -8.639 4.881 1.00 1.54 N ATOM 1273 CA VAL A 518 -12.386 -7.893 4.007 1.00 53.24 C ATOM 1274 C VAL A 518 -11.507 -6.989 4.846 1.00 64.50 C ATOM 1275 O VAL A 518 -11.987 -6.093 5.551 1.00 0.11 O ATOM 1276 CB VAL A 518 -13.238 -7.050 3.035 1.00 21.21 C ATOM 1277 CG1 VAL A 518 -12.361 -6.268 2.075 1.00 74.11 C ATOM 1278 CG2 VAL A 518 -14.202 -7.933 2.261 1.00 74.43 C ATOM 0 H VAL A 518 -13.996 -8.103 5.255 1.00 1.54 H new ATOM 0 HA VAL A 518 -11.775 -8.571 3.411 1.00 53.24 H new ATOM 0 HB VAL A 518 -13.813 -6.340 3.629 1.00 21.21 H new ATOM 0 HG11 VAL A 518 -12.989 -5.684 1.402 1.00 74.11 H new ATOM 0 HG12 VAL A 518 -11.712 -5.598 2.639 1.00 74.11 H new ATOM 0 HG13 VAL A 518 -11.752 -6.960 1.493 1.00 74.11 H new ATOM 0 HG21 VAL A 518 -14.793 -7.319 1.582 1.00 74.43 H new ATOM 0 HG22 VAL A 518 -13.640 -8.670 1.688 1.00 74.43 H new ATOM 0 HG23 VAL A 518 -14.866 -8.445 2.958 1.00 74.43 H new ATOM 1288 N GLU A 519 -10.256 -7.250 4.806 1.00 5.42 N ATOM 1289 CA GLU A 519 -9.294 -6.510 5.538 1.00 43.33 C ATOM 1290 C GLU A 519 -8.572 -5.605 4.562 1.00 65.42 C ATOM 1291 O GLU A 519 -7.855 -6.062 3.684 1.00 12.45 O ATOM 1292 CB GLU A 519 -8.358 -7.486 6.248 1.00 64.41 C ATOM 1293 CG GLU A 519 -7.297 -6.854 7.115 1.00 43.50 C ATOM 1294 CD GLU A 519 -6.568 -7.891 7.927 1.00 41.00 C ATOM 1295 OE1 GLU A 519 -6.590 -7.814 9.160 1.00 2.12 O ATOM 1296 OE2 GLU A 519 -6.001 -8.842 7.351 1.00 54.33 O ATOM 0 H GLU A 519 -9.858 -8.006 4.248 1.00 5.42 H new ATOM 0 HA GLU A 519 -9.749 -5.887 6.308 1.00 43.33 H new ATOM 0 HB2 GLU A 519 -8.958 -8.153 6.867 1.00 64.41 H new ATOM 0 HB3 GLU A 519 -7.867 -8.104 5.496 1.00 64.41 H new ATOM 0 HG2 GLU A 519 -6.587 -6.313 6.489 1.00 43.50 H new ATOM 0 HG3 GLU A 519 -7.756 -6.123 7.781 1.00 43.50 H new ATOM 1303 N VAL A 520 -8.817 -4.339 4.683 1.00 2.40 N ATOM 1304 CA VAL A 520 -8.292 -3.367 3.768 1.00 34.44 C ATOM 1305 C VAL A 520 -7.136 -2.584 4.391 1.00 63.42 C ATOM 1306 O VAL A 520 -7.248 -2.062 5.505 1.00 3.13 O ATOM 1307 CB VAL A 520 -9.436 -2.417 3.344 1.00 11.04 C ATOM 1308 CG1 VAL A 520 -8.946 -1.287 2.505 1.00 61.14 C ATOM 1309 CG2 VAL A 520 -10.497 -3.192 2.593 1.00 1.45 C ATOM 0 H VAL A 520 -9.393 -3.943 5.426 1.00 2.40 H new ATOM 0 HA VAL A 520 -7.894 -3.878 2.891 1.00 34.44 H new ATOM 0 HB VAL A 520 -9.861 -1.991 4.253 1.00 11.04 H new ATOM 0 HG11 VAL A 520 -9.785 -0.647 2.231 1.00 61.14 H new ATOM 0 HG12 VAL A 520 -8.215 -0.707 3.068 1.00 61.14 H new ATOM 0 HG13 VAL A 520 -8.480 -1.680 1.602 1.00 61.14 H new ATOM 0 HG21 VAL A 520 -11.300 -2.517 2.297 1.00 1.45 H new ATOM 0 HG22 VAL A 520 -10.057 -3.644 1.704 1.00 1.45 H new ATOM 0 HG23 VAL A 520 -10.900 -3.975 3.236 1.00 1.45 H new ATOM 1319 N PHE A 521 -6.042 -2.523 3.676 1.00 75.05 N ATOM 1320 CA PHE A 521 -4.856 -1.814 4.109 1.00 30.23 C ATOM 1321 C PHE A 521 -4.606 -0.675 3.148 1.00 73.53 C ATOM 1322 O PHE A 521 -4.981 -0.756 1.992 1.00 11.44 O ATOM 1323 CB PHE A 521 -3.620 -2.731 4.076 1.00 41.20 C ATOM 1324 CG PHE A 521 -3.700 -3.973 4.919 1.00 44.03 C ATOM 1325 CD1 PHE A 521 -3.370 -3.939 6.262 1.00 0.11 C ATOM 1326 CD2 PHE A 521 -4.074 -5.183 4.354 1.00 32.53 C ATOM 1327 CE1 PHE A 521 -3.416 -5.085 7.028 1.00 63.13 C ATOM 1328 CE2 PHE A 521 -4.125 -6.329 5.116 1.00 75.32 C ATOM 1329 CZ PHE A 521 -3.793 -6.279 6.454 1.00 64.32 C ATOM 0 H PHE A 521 -5.944 -2.969 2.764 1.00 75.05 H new ATOM 0 HA PHE A 521 -5.015 -1.461 5.128 1.00 30.23 H new ATOM 0 HB2 PHE A 521 -3.440 -3.028 3.043 1.00 41.20 H new ATOM 0 HB3 PHE A 521 -2.754 -2.152 4.397 1.00 41.20 H new ATOM 0 HD1 PHE A 521 -3.073 -3.005 6.716 1.00 0.11 H new ATOM 0 HD2 PHE A 521 -4.328 -5.227 3.305 1.00 32.53 H new ATOM 0 HE1 PHE A 521 -3.157 -5.046 8.076 1.00 63.13 H new ATOM 0 HE2 PHE A 521 -4.424 -7.265 4.667 1.00 75.32 H new ATOM 0 HZ PHE A 521 -3.829 -7.177 7.052 1.00 64.32 H new ATOM 1339 N GLN A 522 -3.992 0.363 3.609 1.00 4.45 N ATOM 1340 CA GLN A 522 -3.615 1.465 2.751 1.00 65.33 C ATOM 1341 C GLN A 522 -2.209 1.171 2.248 1.00 34.34 C ATOM 1342 O GLN A 522 -1.491 0.390 2.869 1.00 74.01 O ATOM 1343 CB GLN A 522 -3.617 2.764 3.541 1.00 44.42 C ATOM 1344 CG GLN A 522 -3.342 3.983 2.695 1.00 64.30 C ATOM 1345 CD GLN A 522 -3.071 5.200 3.515 1.00 21.52 C ATOM 1346 OE1 GLN A 522 -2.549 5.121 4.628 1.00 73.34 O ATOM 1347 NE2 GLN A 522 -3.355 6.330 2.973 1.00 40.02 N ATOM 0 H GLN A 522 -3.732 0.483 4.588 1.00 4.45 H new ATOM 0 HA GLN A 522 -4.316 1.571 1.923 1.00 65.33 H new ATOM 0 HB2 GLN A 522 -4.584 2.881 4.030 1.00 44.42 H new ATOM 0 HB3 GLN A 522 -2.867 2.702 4.329 1.00 44.42 H new ATOM 0 HG2 GLN A 522 -2.487 3.787 2.049 1.00 64.30 H new ATOM 0 HG3 GLN A 522 -4.197 4.170 2.045 1.00 64.30 H new ATOM 0 HE21 GLN A 522 -3.787 6.358 2.049 1.00 40.02 H new ATOM 0 HE22 GLN A 522 -3.148 7.199 3.466 1.00 40.02 H new ATOM 1356 N CYS A 523 -1.822 1.762 1.140 1.00 71.42 N ATOM 1357 CA CYS A 523 -0.512 1.519 0.576 1.00 4.31 C ATOM 1358 C CYS A 523 -0.060 2.637 -0.334 1.00 60.12 C ATOM 1359 O CYS A 523 -0.864 3.452 -0.802 1.00 54.35 O ATOM 1360 CB CYS A 523 -0.447 0.161 -0.139 1.00 1.11 C ATOM 1361 SG CYS A 523 -1.807 -0.157 -1.269 1.00 11.32 S ATOM 0 H CYS A 523 -2.397 2.416 0.610 1.00 71.42 H new ATOM 0 HA CYS A 523 0.185 1.489 1.414 1.00 4.31 H new ATOM 0 HB2 CYS A 523 0.490 0.102 -0.693 1.00 1.11 H new ATOM 0 HB3 CYS A 523 -0.424 -0.629 0.612 1.00 1.11 H new ATOM 0 HG CYS A 523 -1.590 -1.268 -1.907 1.00 11.32 H new ATOM 1367 N SER A 524 1.220 2.680 -0.547 1.00 0.33 N ATOM 1368 CA SER A 524 1.847 3.655 -1.411 1.00 64.42 C ATOM 1369 C SER A 524 1.819 3.145 -2.830 1.00 53.12 C ATOM 1370 O SER A 524 1.838 1.939 -3.042 1.00 71.40 O ATOM 1371 CB SER A 524 3.299 3.878 -0.946 1.00 42.30 C ATOM 1372 OG SER A 524 4.012 4.758 -1.795 1.00 61.20 O ATOM 0 H SER A 524 1.878 2.028 -0.120 1.00 0.33 H new ATOM 0 HA SER A 524 1.311 4.603 -1.366 1.00 64.42 H new ATOM 0 HB2 SER A 524 3.295 4.280 0.067 1.00 42.30 H new ATOM 0 HB3 SER A 524 3.815 2.919 -0.906 1.00 42.30 H new ATOM 0 HG SER A 524 4.926 4.869 -1.458 1.00 61.20 H new ATOM 1378 N ALA A 525 1.778 4.053 -3.801 1.00 72.44 N ATOM 1379 CA ALA A 525 1.823 3.674 -5.217 1.00 54.31 C ATOM 1380 C ALA A 525 3.109 2.900 -5.516 1.00 5.54 C ATOM 1381 O ALA A 525 3.137 2.019 -6.370 1.00 34.31 O ATOM 1382 CB ALA A 525 1.715 4.901 -6.107 1.00 15.25 C ATOM 0 H ALA A 525 1.714 5.058 -3.637 1.00 72.44 H new ATOM 0 HA ALA A 525 0.971 3.028 -5.430 1.00 54.31 H new ATOM 0 HB1 ALA A 525 1.751 4.596 -7.153 1.00 15.25 H new ATOM 0 HB2 ALA A 525 0.772 5.412 -5.910 1.00 15.25 H new ATOM 0 HB3 ALA A 525 2.544 5.577 -5.898 1.00 15.25 H new ATOM 1388 N GLU A 526 4.148 3.221 -4.764 1.00 75.13 N ATOM 1389 CA GLU A 526 5.454 2.567 -4.831 1.00 35.31 C ATOM 1390 C GLU A 526 5.324 1.121 -4.375 1.00 20.30 C ATOM 1391 O GLU A 526 5.729 0.182 -5.060 1.00 22.21 O ATOM 1392 CB GLU A 526 6.397 3.311 -3.883 1.00 32.54 C ATOM 1393 CG GLU A 526 7.758 2.685 -3.666 1.00 40.11 C ATOM 1394 CD GLU A 526 8.437 3.286 -2.466 1.00 12.15 C ATOM 1395 OE1 GLU A 526 9.174 4.271 -2.612 1.00 33.42 O ATOM 1396 OE2 GLU A 526 8.198 2.805 -1.336 1.00 42.11 O ATOM 0 H GLU A 526 4.110 3.965 -4.068 1.00 75.13 H new ATOM 0 HA GLU A 526 5.837 2.585 -5.851 1.00 35.31 H new ATOM 0 HB2 GLU A 526 6.542 4.321 -4.267 1.00 32.54 H new ATOM 0 HB3 GLU A 526 5.905 3.405 -2.915 1.00 32.54 H new ATOM 0 HG2 GLU A 526 7.651 1.609 -3.528 1.00 40.11 H new ATOM 0 HG3 GLU A 526 8.376 2.833 -4.551 1.00 40.11 H new ATOM 1403 N GLU A 527 4.730 0.993 -3.229 1.00 14.13 N ATOM 1404 CA GLU A 527 4.496 -0.246 -2.527 1.00 51.13 C ATOM 1405 C GLU A 527 3.542 -1.127 -3.335 1.00 32.31 C ATOM 1406 O GLU A 527 3.725 -2.339 -3.436 1.00 62.11 O ATOM 1407 CB GLU A 527 3.949 0.177 -1.167 1.00 35.14 C ATOM 1408 CG GLU A 527 3.589 -0.875 -0.159 1.00 22.14 C ATOM 1409 CD GLU A 527 3.297 -0.203 1.167 1.00 72.25 C ATOM 1410 OE1 GLU A 527 3.985 -0.500 2.161 1.00 51.53 O ATOM 1411 OE2 GLU A 527 2.451 0.730 1.213 1.00 64.22 O ATOM 0 H GLU A 527 4.369 1.800 -2.720 1.00 14.13 H new ATOM 0 HA GLU A 527 5.389 -0.856 -2.393 1.00 51.13 H new ATOM 0 HB2 GLU A 527 4.688 0.832 -0.706 1.00 35.14 H new ATOM 0 HB3 GLU A 527 3.057 0.778 -1.345 1.00 35.14 H new ATOM 0 HG2 GLU A 527 2.719 -1.438 -0.496 1.00 22.14 H new ATOM 0 HG3 GLU A 527 4.407 -1.587 -0.049 1.00 22.14 H new ATOM 1418 N MET A 528 2.583 -0.490 -3.956 1.00 64.31 N ATOM 1419 CA MET A 528 1.641 -1.143 -4.831 1.00 1.24 C ATOM 1420 C MET A 528 2.361 -1.650 -6.064 1.00 44.30 C ATOM 1421 O MET A 528 2.186 -2.800 -6.465 1.00 70.41 O ATOM 1422 CB MET A 528 0.532 -0.153 -5.224 1.00 32.15 C ATOM 1423 CG MET A 528 -0.449 -0.648 -6.281 1.00 15.42 C ATOM 1424 SD MET A 528 -1.651 0.621 -6.730 1.00 15.23 S ATOM 1425 CE MET A 528 -2.551 -0.183 -8.046 1.00 34.31 C ATOM 0 H MET A 528 2.431 0.515 -3.867 1.00 64.31 H new ATOM 0 HA MET A 528 1.188 -1.991 -4.317 1.00 1.24 H new ATOM 0 HB2 MET A 528 -0.030 0.110 -4.328 1.00 32.15 H new ATOM 0 HB3 MET A 528 0.999 0.762 -5.588 1.00 32.15 H new ATOM 0 HG2 MET A 528 0.101 -0.958 -7.170 1.00 15.42 H new ATOM 0 HG3 MET A 528 -0.972 -1.528 -5.907 1.00 15.42 H new ATOM 0 HE1 MET A 528 -3.567 0.209 -8.084 1.00 34.31 H new ATOM 0 HE2 MET A 528 -2.053 0.007 -8.997 1.00 34.31 H new ATOM 0 HE3 MET A 528 -2.583 -1.257 -7.862 1.00 34.31 H new ATOM 1435 N ASN A 529 3.223 -0.805 -6.621 1.00 52.45 N ATOM 1436 CA ASN A 529 3.942 -1.127 -7.840 1.00 13.34 C ATOM 1437 C ASN A 529 4.888 -2.281 -7.587 1.00 15.13 C ATOM 1438 O ASN A 529 5.030 -3.171 -8.418 1.00 54.25 O ATOM 1439 CB ASN A 529 4.723 0.087 -8.346 1.00 44.12 C ATOM 1440 CG ASN A 529 5.146 -0.059 -9.791 1.00 61.43 C ATOM 1441 OD1 ASN A 529 6.205 -0.590 -10.100 1.00 44.04 O ATOM 1442 ND2 ASN A 529 4.330 0.448 -10.681 1.00 41.34 N ATOM 0 H ASN A 529 3.439 0.116 -6.240 1.00 52.45 H new ATOM 0 HA ASN A 529 3.219 -1.413 -8.604 1.00 13.34 H new ATOM 0 HB2 ASN A 529 4.109 0.981 -8.239 1.00 44.12 H new ATOM 0 HB3 ASN A 529 5.607 0.231 -7.725 1.00 44.12 H new ATOM 0 HD21 ASN A 529 4.568 0.409 -11.672 1.00 41.34 H new ATOM 0 HD22 ASN A 529 3.456 0.882 -10.383 1.00 41.34 H new ATOM 1449 N PHE A 530 5.491 -2.274 -6.408 1.00 24.31 N ATOM 1450 CA PHE A 530 6.403 -3.321 -5.982 1.00 74.30 C ATOM 1451 C PHE A 530 5.709 -4.665 -5.973 1.00 72.21 C ATOM 1452 O PHE A 530 6.251 -5.652 -6.494 1.00 55.10 O ATOM 1453 CB PHE A 530 7.004 -2.992 -4.603 1.00 64.11 C ATOM 1454 CG PHE A 530 7.846 -4.092 -4.006 1.00 11.44 C ATOM 1455 CD1 PHE A 530 9.140 -4.308 -4.441 1.00 32.23 C ATOM 1456 CD2 PHE A 530 7.333 -4.911 -3.004 1.00 74.21 C ATOM 1457 CE1 PHE A 530 9.909 -5.315 -3.892 1.00 73.22 C ATOM 1458 CE2 PHE A 530 8.098 -5.919 -2.454 1.00 71.25 C ATOM 1459 CZ PHE A 530 9.386 -6.122 -2.899 1.00 42.33 C ATOM 0 H PHE A 530 5.359 -1.536 -5.716 1.00 24.31 H new ATOM 0 HA PHE A 530 7.223 -3.375 -6.698 1.00 74.30 H new ATOM 0 HB2 PHE A 530 7.614 -2.093 -4.692 1.00 64.11 H new ATOM 0 HB3 PHE A 530 6.192 -2.759 -3.914 1.00 64.11 H new ATOM 0 HD1 PHE A 530 9.554 -3.683 -5.218 1.00 32.23 H new ATOM 0 HD2 PHE A 530 6.324 -4.755 -2.653 1.00 74.21 H new ATOM 0 HE1 PHE A 530 10.920 -5.472 -4.239 1.00 73.22 H new ATOM 0 HE2 PHE A 530 7.688 -6.547 -1.677 1.00 71.25 H new ATOM 0 HZ PHE A 530 9.987 -6.911 -2.472 1.00 42.33 H new ATOM 1469 N VAL A 531 4.507 -4.707 -5.418 1.00 74.51 N ATOM 1470 CA VAL A 531 3.766 -5.950 -5.380 1.00 12.12 C ATOM 1471 C VAL A 531 3.325 -6.352 -6.796 1.00 61.15 C ATOM 1472 O VAL A 531 3.434 -7.521 -7.186 1.00 32.05 O ATOM 1473 CB VAL A 531 2.545 -5.890 -4.418 1.00 53.45 C ATOM 1474 CG1 VAL A 531 1.818 -7.235 -4.380 1.00 62.05 C ATOM 1475 CG2 VAL A 531 2.988 -5.496 -3.014 1.00 43.13 C ATOM 0 H VAL A 531 4.034 -3.908 -4.996 1.00 74.51 H new ATOM 0 HA VAL A 531 4.438 -6.712 -4.985 1.00 12.12 H new ATOM 0 HB VAL A 531 1.856 -5.133 -4.794 1.00 53.45 H new ATOM 0 HG11 VAL A 531 0.968 -7.170 -3.701 1.00 62.05 H new ATOM 0 HG12 VAL A 531 1.465 -7.486 -5.380 1.00 62.05 H new ATOM 0 HG13 VAL A 531 2.502 -8.009 -4.032 1.00 62.05 H new ATOM 0 HG21 VAL A 531 2.120 -5.459 -2.356 1.00 43.13 H new ATOM 0 HG22 VAL A 531 3.699 -6.231 -2.637 1.00 43.13 H new ATOM 0 HG23 VAL A 531 3.462 -4.515 -3.044 1.00 43.13 H new ATOM 1485 N LEU A 532 2.913 -5.364 -7.583 1.00 65.43 N ATOM 1486 CA LEU A 532 2.438 -5.602 -8.946 1.00 60.33 C ATOM 1487 C LEU A 532 3.540 -6.137 -9.856 1.00 62.13 C ATOM 1488 O LEU A 532 3.267 -6.883 -10.800 1.00 70.24 O ATOM 1489 CB LEU A 532 1.823 -4.339 -9.563 1.00 14.24 C ATOM 1490 CG LEU A 532 0.549 -3.799 -8.901 1.00 42.23 C ATOM 1491 CD1 LEU A 532 0.094 -2.531 -9.600 1.00 12.52 C ATOM 1492 CD2 LEU A 532 -0.565 -4.842 -8.918 1.00 71.14 C ATOM 0 H LEU A 532 2.898 -4.384 -7.300 1.00 65.43 H new ATOM 0 HA LEU A 532 1.663 -6.364 -8.866 1.00 60.33 H new ATOM 0 HB2 LEU A 532 2.576 -3.551 -9.546 1.00 14.24 H new ATOM 0 HB3 LEU A 532 1.601 -4.545 -10.610 1.00 14.24 H new ATOM 0 HG LEU A 532 0.778 -3.569 -7.861 1.00 42.23 H new ATOM 0 HD11 LEU A 532 -0.811 -2.157 -9.122 1.00 12.52 H new ATOM 0 HD12 LEU A 532 0.878 -1.777 -9.533 1.00 12.52 H new ATOM 0 HD13 LEU A 532 -0.113 -2.747 -10.648 1.00 12.52 H new ATOM 0 HD21 LEU A 532 -1.455 -4.431 -8.442 1.00 71.14 H new ATOM 0 HD22 LEU A 532 -0.796 -5.111 -9.949 1.00 71.14 H new ATOM 0 HD23 LEU A 532 -0.241 -5.730 -8.375 1.00 71.14 H new