USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 822 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 561 THR OG1 : rot 113:sc= 0.852 USER MOD Set 1.2: A 590 LYS NZ :NH3+ 171:sc= 0.167 (180deg=0.058) USER MOD Single : A 533 THR OG1 : rot -170:sc= 0.386 USER MOD Single : A 536 CYS SG : rot 0:sc= 0.0525 USER MOD Single : A 538 THR OG1 : rot 180:sc= 0 USER MOD Single : A 540 HIS :FLIP no HE2:sc= -0.0816 F(o=-0.86,f=-0.082) USER MOD Single : A 542 SER OG : rot 180:sc= 0 USER MOD Single : A 544 SER OG : rot 51:sc= 1.1 USER MOD Single : A 548 MET CE :methyl 141:sc= -0.711 (180deg=-3.4!) USER MOD Single : A 551 LYS NZ :NH3+ -169:sc= 0.815 (180deg=0.454) USER MOD Single : A 555 THR OG1 : rot 180:sc= 0 USER MOD Single : A 556 SER OG : rot 180:sc= 0 USER MOD Single : A 568 THR OG1 : rot -160:sc= 0.449 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ -108:sc= 0.743 (180deg=-0.535) USER MOD Single : A 584 TYR OH : rot 180:sc= 0 USER MOD Single : A 591 ASN : amide:sc= -1.2! C(o=-1.2!,f=-2.8!) USER MOD Single : A 594 THR OG1 : rot -9:sc= 0.69 USER MOD Single : A 596 LYS NZ :NH3+ 162:sc= 2.28 (180deg=1.8) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 601 LYS NZ :NH3+ 173:sc= 0.413 (180deg=0.334) USER MOD Single : A 613 ASN : amide:sc= -0.904 K(o=-0.9,f=-5.9!) USER MOD Single : A 622 LYS NZ :NH3+ -169:sc= 1.2 (180deg=1.1) USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ -178:sc= 1.39 (180deg=1.39) USER MOD Single : A 657 HIS : +bothHN:sc= -0.244 K(o=-0.24,f=-3.4!) USER MOD Single : A 659 LYS NZ :NH3+ 161:sc= 0.0728 (180deg=-0.179) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 529 10.889 -18.957 2.649 1.00 61.13 N ATOM 19 CA ALA A 529 11.281 -20.125 1.882 1.00 42.45 C ATOM 20 C ALA A 529 10.771 -19.933 0.442 1.00 4.41 C ATOM 21 O ALA A 529 9.811 -19.200 0.226 1.00 52.43 O ATOM 22 CB ALA A 529 10.688 -21.322 2.501 1.00 43.12 C ATOM 0 HA ALA A 529 12.364 -20.251 1.867 1.00 42.45 H new ATOM 0 HB1 ALA A 529 10.976 -22.206 1.932 1.00 43.12 H new ATOM 0 HB2 ALA A 529 11.046 -21.417 3.526 1.00 43.12 H new ATOM 0 HB3 ALA A 529 9.602 -21.230 2.503 1.00 43.12 H new ATOM 28 N GLY A 530 11.426 -20.548 -0.537 1.00 4.51 N ATOM 29 CA GLY A 530 11.078 -20.301 -1.926 1.00 74.01 C ATOM 30 C GLY A 530 10.091 -21.263 -2.562 1.00 71.13 C ATOM 31 O GLY A 530 9.654 -22.229 -1.957 1.00 74.12 O ATOM 0 H GLY A 530 12.189 -21.210 -0.396 1.00 4.51 H new ATOM 0 HA2 GLY A 530 10.668 -19.294 -2.000 1.00 74.01 H new ATOM 0 HA3 GLY A 530 11.995 -20.316 -2.515 1.00 74.01 H new ATOM 35 N ILE A 531 9.794 -20.990 -3.824 1.00 61.20 N ATOM 36 CA ILE A 531 8.974 -21.859 -4.671 1.00 21.23 C ATOM 37 C ILE A 531 9.813 -23.087 -5.006 1.00 3.53 C ATOM 38 O ILE A 531 11.000 -22.936 -5.297 1.00 1.44 O ATOM 39 CB ILE A 531 8.599 -21.112 -6.013 1.00 74.15 C ATOM 40 CG1 ILE A 531 7.283 -20.332 -5.848 1.00 52.11 C ATOM 41 CG2 ILE A 531 8.452 -22.079 -7.200 1.00 41.54 C ATOM 42 CD1 ILE A 531 7.400 -19.027 -5.039 1.00 32.12 C ATOM 0 H ILE A 531 10.118 -20.148 -4.300 1.00 61.20 H new ATOM 0 HA ILE A 531 8.054 -22.133 -4.154 1.00 21.23 H new ATOM 0 HB ILE A 531 9.421 -20.428 -6.225 1.00 74.15 H new ATOM 0 HG12 ILE A 531 6.891 -20.095 -6.837 1.00 52.11 H new ATOM 0 HG13 ILE A 531 6.552 -20.979 -5.363 1.00 52.11 H new ATOM 0 HG21 ILE A 531 8.194 -21.517 -8.098 1.00 41.54 H new ATOM 0 HG22 ILE A 531 9.393 -22.605 -7.359 1.00 41.54 H new ATOM 0 HG23 ILE A 531 7.664 -22.801 -6.985 1.00 41.54 H new ATOM 0 HD11 ILE A 531 6.423 -18.549 -4.977 1.00 32.12 H new ATOM 0 HD12 ILE A 531 7.758 -19.252 -4.035 1.00 32.12 H new ATOM 0 HD13 ILE A 531 8.102 -18.355 -5.532 1.00 32.12 H new ATOM 54 N PHE A 532 9.197 -24.265 -5.024 1.00 53.02 N ATOM 55 CA PHE A 532 9.856 -25.498 -5.484 1.00 53.43 C ATOM 56 C PHE A 532 9.118 -26.034 -6.691 1.00 53.30 C ATOM 57 O PHE A 532 7.890 -26.043 -6.728 1.00 12.11 O ATOM 58 CB PHE A 532 9.869 -26.550 -4.394 1.00 13.30 C ATOM 59 CG PHE A 532 10.784 -26.204 -3.257 1.00 1.52 C ATOM 60 CD1 PHE A 532 10.389 -25.288 -2.267 1.00 21.55 C ATOM 61 CD2 PHE A 532 12.075 -26.761 -3.197 1.00 42.24 C ATOM 62 CE1 PHE A 532 11.275 -24.921 -1.230 1.00 31.45 C ATOM 63 CE2 PHE A 532 12.963 -26.410 -2.157 1.00 5.40 C ATOM 64 CZ PHE A 532 12.569 -25.486 -1.177 1.00 54.54 C ATOM 0 H PHE A 532 8.232 -24.399 -4.723 1.00 53.02 H new ATOM 0 HA PHE A 532 10.888 -25.263 -5.745 1.00 53.43 H new ATOM 0 HB2 PHE A 532 8.857 -26.682 -4.012 1.00 13.30 H new ATOM 0 HB3 PHE A 532 10.175 -27.505 -4.822 1.00 13.30 H new ATOM 0 HD1 PHE A 532 9.398 -24.860 -2.299 1.00 21.55 H new ATOM 0 HD2 PHE A 532 12.390 -27.464 -3.954 1.00 42.24 H new ATOM 0 HE1 PHE A 532 10.964 -24.210 -0.479 1.00 31.45 H new ATOM 0 HE2 PHE A 532 13.947 -26.853 -2.116 1.00 5.40 H new ATOM 0 HZ PHE A 532 13.251 -25.208 -0.387 1.00 54.54 H new ATOM 74 N THR A 533 9.870 -26.434 -7.695 1.00 30.24 N ATOM 75 CA THR A 533 9.312 -26.847 -8.974 1.00 54.53 C ATOM 76 C THR A 533 10.348 -27.772 -9.594 1.00 54.41 C ATOM 77 O THR A 533 11.445 -27.881 -9.067 1.00 71.44 O ATOM 78 CB THR A 533 9.048 -25.585 -9.859 1.00 34.01 C ATOM 79 OG1 THR A 533 8.393 -25.952 -11.073 1.00 55.44 O ATOM 80 CG2 THR A 533 10.326 -24.866 -10.196 1.00 14.20 C ATOM 0 H THR A 533 10.888 -26.483 -7.651 1.00 30.24 H new ATOM 0 HA THR A 533 8.357 -27.362 -8.873 1.00 54.53 H new ATOM 0 HB THR A 533 8.411 -24.917 -9.280 1.00 34.01 H new ATOM 0 HG1 THR A 533 8.377 -25.184 -11.681 1.00 55.44 H new ATOM 0 HG21 THR A 533 10.102 -23.995 -10.812 1.00 14.20 H new ATOM 0 HG22 THR A 533 10.816 -24.544 -9.277 1.00 14.20 H new ATOM 0 HG23 THR A 533 10.987 -25.537 -10.744 1.00 14.20 H new ATOM 88 N PHE A 534 10.016 -28.433 -10.686 1.00 32.31 N ATOM 89 CA PHE A 534 10.952 -29.304 -11.383 1.00 51.21 C ATOM 90 C PHE A 534 11.375 -28.613 -12.658 1.00 22.14 C ATOM 91 O PHE A 534 10.800 -27.596 -13.051 1.00 3.30 O ATOM 92 CB PHE A 534 10.293 -30.635 -11.762 1.00 10.41 C ATOM 93 CG PHE A 534 9.970 -31.526 -10.602 1.00 53.22 C ATOM 94 CD1 PHE A 534 10.453 -31.307 -9.298 1.00 22.40 C ATOM 95 CD2 PHE A 534 9.156 -32.623 -10.844 1.00 62.12 C ATOM 96 CE1 PHE A 534 10.077 -32.186 -8.243 1.00 72.50 C ATOM 97 CE2 PHE A 534 8.791 -33.514 -9.825 1.00 52.05 C ATOM 98 CZ PHE A 534 9.237 -33.302 -8.528 1.00 24.04 C ATOM 0 H PHE A 534 9.093 -28.384 -11.117 1.00 32.31 H new ATOM 0 HA PHE A 534 11.800 -29.504 -10.728 1.00 51.21 H new ATOM 0 HB2 PHE A 534 9.374 -30.427 -12.310 1.00 10.41 H new ATOM 0 HB3 PHE A 534 10.955 -31.172 -12.442 1.00 10.41 H new ATOM 0 HD1 PHE A 534 11.109 -30.472 -9.098 1.00 22.40 H new ATOM 0 HD2 PHE A 534 8.793 -32.796 -11.846 1.00 62.12 H new ATOM 0 HE1 PHE A 534 10.425 -32.009 -7.236 1.00 72.50 H new ATOM 0 HE2 PHE A 534 8.164 -34.364 -10.049 1.00 52.05 H new ATOM 0 HZ PHE A 534 8.949 -33.980 -7.738 1.00 24.04 H new ATOM 108 N GLU A 535 12.360 -29.208 -13.306 1.00 23.32 N ATOM 109 CA GLU A 535 12.861 -28.744 -14.593 1.00 11.33 C ATOM 110 C GLU A 535 11.850 -28.840 -15.726 1.00 73.30 C ATOM 111 O GLU A 535 11.801 -27.977 -16.598 1.00 22.01 O ATOM 112 CB GLU A 535 14.030 -29.626 -14.989 1.00 10.35 C ATOM 113 CG GLU A 535 15.310 -29.292 -14.284 1.00 40.44 C ATOM 114 CD GLU A 535 16.488 -30.020 -14.892 1.00 30.44 C ATOM 115 OE1 GLU A 535 16.291 -31.129 -15.426 1.00 45.41 O ATOM 116 OE2 GLU A 535 17.626 -29.518 -14.794 1.00 64.22 O ATOM 0 H GLU A 535 12.841 -30.035 -12.953 1.00 23.32 H new ATOM 0 HA GLU A 535 13.120 -27.694 -14.460 1.00 11.33 H new ATOM 0 HB2 GLU A 535 13.774 -30.665 -14.783 1.00 10.35 H new ATOM 0 HB3 GLU A 535 14.187 -29.543 -16.064 1.00 10.35 H new ATOM 0 HG2 GLU A 535 15.482 -28.217 -14.332 1.00 40.44 H new ATOM 0 HG3 GLU A 535 15.224 -29.555 -13.230 1.00 40.44 H new ATOM 123 N CYS A 536 11.100 -29.929 -15.761 1.00 15.04 N ATOM 124 CA CYS A 536 10.184 -30.195 -16.861 1.00 4.24 C ATOM 125 C CYS A 536 8.945 -30.852 -16.309 1.00 31.33 C ATOM 126 O CYS A 536 8.935 -31.307 -15.173 1.00 4.30 O ATOM 127 CB CYS A 536 10.828 -31.143 -17.879 1.00 21.33 C ATOM 128 SG CYS A 536 12.263 -30.444 -18.730 1.00 45.23 S ATOM 0 H CYS A 536 11.107 -30.647 -15.037 1.00 15.04 H new ATOM 0 HA CYS A 536 9.939 -29.255 -17.355 1.00 4.24 H new ATOM 0 HB2 CYS A 536 11.131 -32.057 -17.368 1.00 21.33 H new ATOM 0 HB3 CYS A 536 10.081 -31.425 -18.621 1.00 21.33 H new ATOM 0 HG CYS A 536 12.479 -29.237 -18.297 1.00 45.23 H new ATOM 134 N ASP A 537 7.932 -30.942 -17.152 1.00 61.44 N ATOM 135 CA ASP A 537 6.675 -31.599 -16.817 1.00 64.35 C ATOM 136 C ASP A 537 6.380 -32.775 -17.758 1.00 14.42 C ATOM 137 O ASP A 537 5.381 -33.441 -17.586 1.00 72.34 O ATOM 138 CB ASP A 537 5.530 -30.582 -16.851 1.00 30.23 C ATOM 139 CG ASP A 537 5.582 -29.676 -18.069 1.00 63.22 C ATOM 140 OD1 ASP A 537 6.126 -30.075 -19.127 1.00 43.43 O ATOM 141 OD2 ASP A 537 5.197 -28.495 -17.908 1.00 52.03 O ATOM 0 H ASP A 537 7.956 -30.559 -18.097 1.00 61.44 H new ATOM 0 HA ASP A 537 6.765 -32.005 -15.809 1.00 64.35 H new ATOM 0 HB2 ASP A 537 4.578 -31.113 -16.840 1.00 30.23 H new ATOM 0 HB3 ASP A 537 5.565 -29.972 -15.948 1.00 30.23 H new ATOM 146 N THR A 538 7.281 -33.061 -18.696 1.00 53.31 N ATOM 147 CA THR A 538 7.139 -34.180 -19.626 1.00 51.33 C ATOM 148 C THR A 538 8.514 -34.828 -19.870 1.00 62.42 C ATOM 149 O THR A 538 9.490 -34.136 -20.204 1.00 33.01 O ATOM 150 CB THR A 538 6.583 -33.693 -20.987 1.00 35.34 C ATOM 151 OG1 THR A 538 5.428 -32.878 -20.772 1.00 42.44 O ATOM 152 CG2 THR A 538 6.175 -34.863 -21.871 1.00 12.12 C ATOM 0 H THR A 538 8.135 -32.520 -18.833 1.00 53.31 H new ATOM 0 HA THR A 538 6.449 -34.901 -19.187 1.00 51.33 H new ATOM 0 HB THR A 538 7.373 -33.127 -21.481 1.00 35.34 H new ATOM 0 HG1 THR A 538 5.080 -32.570 -21.635 1.00 42.44 H new ATOM 0 HG21 THR A 538 5.789 -34.486 -22.818 1.00 12.12 H new ATOM 0 HG22 THR A 538 7.042 -35.497 -22.059 1.00 12.12 H new ATOM 0 HG23 THR A 538 5.401 -35.445 -21.370 1.00 12.12 H new ATOM 160 N ILE A 539 8.582 -36.139 -19.689 1.00 31.24 N ATOM 161 CA ILE A 539 9.798 -36.956 -19.877 1.00 45.14 C ATOM 162 C ILE A 539 9.403 -38.359 -20.390 1.00 74.34 C ATOM 163 O ILE A 539 8.263 -38.781 -20.233 1.00 20.13 O ATOM 164 CB ILE A 539 10.589 -37.081 -18.513 1.00 60.02 C ATOM 165 CG1 ILE A 539 12.013 -37.632 -18.726 1.00 14.23 C ATOM 166 CG2 ILE A 539 9.786 -37.916 -17.453 1.00 64.52 C ATOM 167 CD1 ILE A 539 12.252 -39.033 -18.146 1.00 70.12 C ATOM 0 H ILE A 539 7.775 -36.691 -19.399 1.00 31.24 H new ATOM 0 HA ILE A 539 10.443 -36.472 -20.610 1.00 45.14 H new ATOM 0 HB ILE A 539 10.698 -36.075 -18.109 1.00 60.02 H new ATOM 0 HG12 ILE A 539 12.223 -37.656 -19.795 1.00 14.23 H new ATOM 0 HG13 ILE A 539 12.726 -36.941 -18.277 1.00 14.23 H new ATOM 0 HG21 ILE A 539 10.361 -37.980 -16.529 1.00 64.52 H new ATOM 0 HG22 ILE A 539 8.832 -37.429 -17.253 1.00 64.52 H new ATOM 0 HG23 ILE A 539 9.607 -38.919 -17.840 1.00 64.52 H new ATOM 0 HD11 ILE A 539 13.280 -39.338 -18.343 1.00 70.12 H new ATOM 0 HD12 ILE A 539 12.079 -39.016 -17.070 1.00 70.12 H new ATOM 0 HD13 ILE A 539 11.567 -39.741 -18.612 1.00 70.12 H new ATOM 179 N HIS A 540 10.345 -39.081 -20.984 1.00 24.54 N ATOM 180 CA HIS A 540 10.158 -40.492 -21.341 1.00 4.13 C ATOM 181 C HIS A 540 11.329 -41.270 -20.754 1.00 43.54 C ATOM 182 O HIS A 540 12.471 -40.841 -20.892 1.00 45.22 O ATOM 183 CB HIS A 540 10.157 -40.699 -22.864 1.00 21.23 C ATOM 184 CG HIS A 540 8.840 -40.419 -23.518 1.00 11.24 C ATOM 185 ND1 HIS A 540 7.843 -39.536 -23.232 1.00 23.34 N flip ATOM 186 CD2 HIS A 540 8.377 -41.120 -24.634 1.00 22.02 C flip ATOM 187 CE1 HIS A 540 6.836 -39.719 -24.130 1.00 44.51 C flip ATOM 188 NE2 HIS A 540 7.172 -40.675 -24.953 1.00 70.12 N flip ATOM 0 H HIS A 540 11.262 -38.710 -21.234 1.00 24.54 H new ATOM 0 HA HIS A 540 9.198 -40.831 -20.952 1.00 4.13 H new ATOM 0 HB2 HIS A 540 10.915 -40.054 -23.308 1.00 21.23 H new ATOM 0 HB3 HIS A 540 10.447 -41.727 -23.080 1.00 21.23 H new ATOM 0 HD1 HIS A 540 7.850 -38.854 -22.474 1.00 23.34 H new ATOM 0 HD2 HIS A 540 8.915 -41.899 -25.153 1.00 22.02 H new ATOM 0 HE1 HIS A 540 5.910 -39.164 -24.157 1.00 44.51 H new ATOM 196 N VAL A 541 11.058 -42.409 -20.144 1.00 1.21 N ATOM 197 CA VAL A 541 12.119 -43.346 -19.725 1.00 64.10 C ATOM 198 C VAL A 541 11.842 -44.700 -20.352 1.00 14.54 C ATOM 199 O VAL A 541 10.808 -44.899 -20.959 1.00 75.01 O ATOM 200 CB VAL A 541 12.227 -43.548 -18.173 1.00 55.23 C ATOM 201 CG1 VAL A 541 12.673 -42.289 -17.497 1.00 14.03 C ATOM 202 CG2 VAL A 541 10.899 -44.034 -17.575 1.00 31.20 C ATOM 0 H VAL A 541 10.113 -42.721 -19.921 1.00 1.21 H new ATOM 0 HA VAL A 541 13.061 -42.909 -20.056 1.00 64.10 H new ATOM 0 HB VAL A 541 12.977 -44.319 -17.998 1.00 55.23 H new ATOM 0 HG11 VAL A 541 12.739 -42.457 -16.422 1.00 14.03 H new ATOM 0 HG12 VAL A 541 13.651 -41.997 -17.880 1.00 14.03 H new ATOM 0 HG13 VAL A 541 11.954 -41.495 -17.696 1.00 14.03 H new ATOM 0 HG21 VAL A 541 11.010 -44.163 -16.498 1.00 31.20 H new ATOM 0 HG22 VAL A 541 10.120 -43.298 -17.773 1.00 31.20 H new ATOM 0 HG23 VAL A 541 10.623 -44.986 -18.028 1.00 31.20 H new ATOM 212 N SER A 542 12.748 -45.633 -20.126 1.00 10.12 N ATOM 213 CA SER A 542 12.572 -47.026 -20.501 1.00 30.42 C ATOM 214 C SER A 542 12.866 -47.750 -19.204 1.00 52.30 C ATOM 215 O SER A 542 13.546 -47.193 -18.367 1.00 10.40 O ATOM 216 CB SER A 542 13.578 -47.419 -21.580 1.00 1.14 C ATOM 217 OG SER A 542 13.409 -46.600 -22.725 1.00 24.45 O ATOM 0 H SER A 542 13.640 -45.443 -19.670 1.00 10.12 H new ATOM 0 HA SER A 542 11.588 -47.251 -20.913 1.00 30.42 H new ATOM 0 HB2 SER A 542 14.593 -47.316 -21.196 1.00 1.14 H new ATOM 0 HB3 SER A 542 13.443 -48.467 -21.849 1.00 1.14 H new ATOM 0 HG SER A 542 14.060 -46.858 -23.411 1.00 24.45 H new ATOM 223 N GLU A 543 12.385 -48.962 -19.029 1.00 64.40 N ATOM 224 CA GLU A 543 12.641 -49.744 -17.805 1.00 11.41 C ATOM 225 C GLU A 543 14.130 -49.985 -17.596 1.00 63.45 C ATOM 226 O GLU A 543 14.635 -49.969 -16.474 1.00 32.53 O ATOM 227 CB GLU A 543 11.932 -51.110 -17.859 1.00 2.32 C ATOM 228 CG GLU A 543 11.252 -51.457 -19.194 1.00 33.11 C ATOM 229 CD GLU A 543 12.222 -51.446 -20.387 1.00 51.11 C ATOM 230 OE1 GLU A 543 13.323 -52.029 -20.309 1.00 20.41 O ATOM 231 OE2 GLU A 543 11.970 -50.625 -21.297 1.00 21.33 O ATOM 0 H GLU A 543 11.807 -49.444 -19.717 1.00 64.40 H new ATOM 0 HA GLU A 543 12.249 -49.156 -16.975 1.00 11.41 H new ATOM 0 HB2 GLU A 543 12.662 -51.887 -17.632 1.00 2.32 H new ATOM 0 HB3 GLU A 543 11.180 -51.139 -17.071 1.00 2.32 H new ATOM 0 HG2 GLU A 543 10.793 -52.443 -19.116 1.00 33.11 H new ATOM 0 HG3 GLU A 543 10.448 -50.745 -19.381 1.00 33.11 H new ATOM 238 N SER A 544 14.832 -50.144 -18.706 1.00 72.15 N ATOM 239 CA SER A 544 16.263 -50.435 -18.728 1.00 4.42 C ATOM 240 C SER A 544 17.113 -49.303 -18.158 1.00 11.24 C ATOM 241 O SER A 544 18.313 -49.462 -17.941 1.00 53.24 O ATOM 242 CB SER A 544 16.699 -50.718 -20.164 1.00 33.51 C ATOM 243 OG SER A 544 16.091 -51.901 -20.664 1.00 20.21 O ATOM 0 H SER A 544 14.419 -50.074 -19.636 1.00 72.15 H new ATOM 0 HA SER A 544 16.421 -51.306 -18.092 1.00 4.42 H new ATOM 0 HB2 SER A 544 16.434 -49.873 -20.800 1.00 33.51 H new ATOM 0 HB3 SER A 544 17.784 -50.819 -20.204 1.00 33.51 H new ATOM 0 HG SER A 544 15.123 -51.860 -20.513 1.00 20.21 H new ATOM 249 N ILE A 545 16.488 -48.168 -17.876 1.00 31.04 N ATOM 250 CA ILE A 545 17.172 -47.065 -17.223 1.00 23.25 C ATOM 251 C ILE A 545 17.523 -47.448 -15.779 1.00 12.21 C ATOM 252 O ILE A 545 18.467 -46.908 -15.190 1.00 33.22 O ATOM 253 CB ILE A 545 16.275 -45.798 -17.222 1.00 74.11 C ATOM 254 CG1 ILE A 545 17.143 -44.556 -17.005 1.00 62.23 C ATOM 255 CG2 ILE A 545 15.126 -45.920 -16.166 1.00 30.03 C ATOM 256 CD1 ILE A 545 16.361 -43.314 -16.739 1.00 33.35 C ATOM 0 H ILE A 545 15.507 -47.989 -18.090 1.00 31.04 H new ATOM 0 HA ILE A 545 18.088 -46.850 -17.773 1.00 23.25 H new ATOM 0 HB ILE A 545 15.787 -45.700 -18.192 1.00 74.11 H new ATOM 0 HG12 ILE A 545 17.816 -44.737 -16.167 1.00 62.23 H new ATOM 0 HG13 ILE A 545 17.765 -44.401 -17.886 1.00 62.23 H new ATOM 0 HG21 ILE A 545 14.514 -45.018 -16.188 1.00 30.03 H new ATOM 0 HG22 ILE A 545 14.506 -46.785 -16.401 1.00 30.03 H new ATOM 0 HG23 ILE A 545 15.557 -46.042 -15.172 1.00 30.03 H new ATOM 0 HD11 ILE A 545 17.045 -42.477 -16.596 1.00 33.35 H new ATOM 0 HD12 ILE A 545 15.707 -43.107 -17.586 1.00 33.35 H new ATOM 0 HD13 ILE A 545 15.759 -43.449 -15.840 1.00 33.35 H new ATOM 268 N GLY A 546 16.749 -48.357 -15.192 1.00 3.04 N ATOM 269 CA GLY A 546 16.971 -48.735 -13.812 1.00 52.25 C ATOM 270 C GLY A 546 16.313 -47.792 -12.841 1.00 11.22 C ATOM 271 O GLY A 546 15.405 -48.150 -12.091 1.00 30.01 O ATOM 0 H GLY A 546 15.973 -48.837 -15.649 1.00 3.04 H new ATOM 0 HA2 GLY A 546 16.589 -49.743 -13.649 1.00 52.25 H new ATOM 0 HA3 GLY A 546 18.043 -48.764 -13.615 1.00 52.25 H new ATOM 275 N VAL A 547 16.821 -46.573 -12.819 1.00 51.05 N ATOM 276 CA VAL A 547 16.369 -45.563 -11.882 1.00 3.44 C ATOM 277 C VAL A 547 16.183 -44.234 -12.607 1.00 35.30 C ATOM 278 O VAL A 547 17.126 -43.679 -13.163 1.00 53.13 O ATOM 279 CB VAL A 547 17.403 -45.399 -10.736 1.00 1.15 C ATOM 280 CG1 VAL A 547 16.974 -44.300 -9.768 1.00 34.53 C ATOM 281 CG2 VAL A 547 17.575 -46.722 -9.961 1.00 12.40 C ATOM 0 H VAL A 547 17.558 -46.257 -13.450 1.00 51.05 H new ATOM 0 HA VAL A 547 15.416 -45.875 -11.455 1.00 3.44 H new ATOM 0 HB VAL A 547 18.355 -45.122 -11.190 1.00 1.15 H new ATOM 0 HG11 VAL A 547 17.715 -44.205 -8.974 1.00 34.53 H new ATOM 0 HG12 VAL A 547 16.893 -43.354 -10.304 1.00 34.53 H new ATOM 0 HG13 VAL A 547 16.007 -44.555 -9.333 1.00 34.53 H new ATOM 0 HG21 VAL A 547 18.304 -46.584 -9.163 1.00 12.40 H new ATOM 0 HG22 VAL A 547 16.618 -47.019 -9.531 1.00 12.40 H new ATOM 0 HG23 VAL A 547 17.924 -47.499 -10.641 1.00 12.40 H new ATOM 291 N MET A 548 14.961 -43.730 -12.591 1.00 3.24 N ATOM 292 CA MET A 548 14.649 -42.439 -13.191 1.00 72.13 C ATOM 293 C MET A 548 14.981 -41.345 -12.177 1.00 44.34 C ATOM 294 O MET A 548 14.970 -41.594 -10.966 1.00 31.43 O ATOM 295 CB MET A 548 13.174 -42.382 -13.618 1.00 43.00 C ATOM 296 CG MET A 548 12.206 -41.895 -12.535 1.00 21.25 C ATOM 297 SD MET A 548 12.034 -40.099 -12.452 1.00 64.12 S ATOM 298 CE MET A 548 11.538 -39.704 -14.145 1.00 54.53 C ATOM 0 H MET A 548 14.161 -44.198 -12.166 1.00 3.24 H new ATOM 0 HA MET A 548 15.246 -42.289 -14.091 1.00 72.13 H new ATOM 0 HB2 MET A 548 13.087 -41.726 -14.484 1.00 43.00 H new ATOM 0 HB3 MET A 548 12.865 -43.377 -13.940 1.00 43.00 H new ATOM 0 HG2 MET A 548 11.225 -42.335 -12.715 1.00 21.25 H new ATOM 0 HG3 MET A 548 12.547 -42.262 -11.567 1.00 21.25 H new ATOM 0 HE1 MET A 548 10.784 -38.917 -14.129 1.00 54.53 H new ATOM 0 HE2 MET A 548 12.407 -39.363 -14.708 1.00 54.53 H new ATOM 0 HE3 MET A 548 11.124 -40.593 -14.620 1.00 54.53 H new ATOM 308 N GLU A 549 15.289 -40.150 -12.663 1.00 75.24 N ATOM 309 CA GLU A 549 15.563 -39.015 -11.790 1.00 43.43 C ATOM 310 C GLU A 549 14.917 -37.737 -12.311 1.00 5.44 C ATOM 311 O GLU A 549 14.944 -37.467 -13.512 1.00 13.14 O ATOM 312 CB GLU A 549 17.072 -38.775 -11.636 1.00 45.40 C ATOM 313 CG GLU A 549 17.477 -38.627 -10.202 1.00 54.35 C ATOM 314 CD GLU A 549 18.992 -38.586 -9.983 1.00 71.34 C ATOM 315 OE1 GLU A 549 19.767 -38.658 -10.951 1.00 65.44 O ATOM 316 OE2 GLU A 549 19.410 -38.525 -8.801 1.00 70.03 O ATOM 0 H GLU A 549 15.356 -39.941 -13.659 1.00 75.24 H new ATOM 0 HA GLU A 549 15.135 -39.265 -10.819 1.00 43.43 H new ATOM 0 HB2 GLU A 549 17.618 -39.606 -12.082 1.00 45.40 H new ATOM 0 HB3 GLU A 549 17.353 -37.877 -12.186 1.00 45.40 H new ATOM 0 HG2 GLU A 549 17.038 -37.712 -9.804 1.00 54.35 H new ATOM 0 HG3 GLU A 549 17.060 -39.456 -9.630 1.00 54.35 H new ATOM 323 N VAL A 550 14.395 -36.922 -11.402 1.00 74.44 N ATOM 324 CA VAL A 550 13.909 -35.585 -11.757 1.00 45.11 C ATOM 325 C VAL A 550 14.760 -34.608 -10.985 1.00 25.44 C ATOM 326 O VAL A 550 15.082 -34.853 -9.827 1.00 43.34 O ATOM 327 CB VAL A 550 12.383 -35.365 -11.434 1.00 25.31 C ATOM 328 CG1 VAL A 550 11.622 -36.639 -11.670 1.00 40.41 C ATOM 329 CG2 VAL A 550 12.142 -34.869 -9.998 1.00 42.42 C ATOM 0 H VAL A 550 14.296 -37.158 -10.415 1.00 74.44 H new ATOM 0 HA VAL A 550 13.991 -35.445 -12.835 1.00 45.11 H new ATOM 0 HB VAL A 550 12.024 -34.584 -12.105 1.00 25.31 H new ATOM 0 HG11 VAL A 550 10.567 -36.480 -11.445 1.00 40.41 H new ATOM 0 HG12 VAL A 550 11.729 -36.939 -12.712 1.00 40.41 H new ATOM 0 HG13 VAL A 550 12.017 -37.423 -11.024 1.00 40.41 H new ATOM 0 HG21 VAL A 550 11.073 -34.736 -9.834 1.00 42.42 H new ATOM 0 HG22 VAL A 550 12.529 -35.602 -9.290 1.00 42.42 H new ATOM 0 HG23 VAL A 550 12.653 -33.918 -9.851 1.00 42.42 H new ATOM 339 N LYS A 551 15.140 -33.511 -11.611 1.00 21.43 N ATOM 340 CA LYS A 551 15.899 -32.479 -10.914 1.00 50.35 C ATOM 341 C LYS A 551 14.904 -31.485 -10.343 1.00 1.45 C ATOM 342 O LYS A 551 13.999 -31.005 -11.037 1.00 43.12 O ATOM 343 CB LYS A 551 16.907 -31.817 -11.850 1.00 14.23 C ATOM 344 CG LYS A 551 18.181 -32.655 -12.028 1.00 2.52 C ATOM 345 CD LYS A 551 19.093 -32.090 -13.107 1.00 43.30 C ATOM 346 CE LYS A 551 18.808 -32.738 -14.464 1.00 31.01 C ATOM 347 NZ LYS A 551 19.170 -31.813 -15.594 1.00 73.52 N ATOM 0 H LYS A 551 14.941 -33.308 -12.591 1.00 21.43 H new ATOM 0 HA LYS A 551 16.484 -32.911 -10.102 1.00 50.35 H new ATOM 0 HB2 LYS A 551 16.443 -31.656 -12.823 1.00 14.23 H new ATOM 0 HB3 LYS A 551 17.173 -30.836 -11.457 1.00 14.23 H new ATOM 0 HG2 LYS A 551 18.722 -32.697 -11.083 1.00 2.52 H new ATOM 0 HG3 LYS A 551 17.908 -33.679 -12.284 1.00 2.52 H new ATOM 0 HD2 LYS A 551 18.952 -31.012 -13.179 1.00 43.30 H new ATOM 0 HD3 LYS A 551 20.134 -32.258 -12.832 1.00 43.30 H new ATOM 0 HE2 LYS A 551 19.374 -33.665 -14.554 1.00 31.01 H new ATOM 0 HE3 LYS A 551 17.752 -33.002 -14.530 1.00 31.01 H new ATOM 0 HZ1 LYS A 551 18.799 -32.194 -16.487 1.00 73.52 H new ATOM 0 HZ2 LYS A 551 18.757 -30.874 -15.420 1.00 73.52 H new ATOM 0 HZ3 LYS A 551 20.205 -31.730 -15.657 1.00 73.52 H new ATOM 361 N VAL A 552 15.048 -31.236 -9.055 1.00 65.52 N ATOM 362 CA VAL A 552 14.159 -30.357 -8.304 1.00 31.32 C ATOM 363 C VAL A 552 14.863 -29.035 -8.126 1.00 5.52 C ATOM 364 O VAL A 552 16.053 -28.997 -7.810 1.00 64.51 O ATOM 365 CB VAL A 552 13.845 -30.895 -6.892 1.00 14.02 C ATOM 366 CG1 VAL A 552 12.665 -30.092 -6.276 1.00 73.53 C ATOM 367 CG2 VAL A 552 13.493 -32.389 -6.927 1.00 73.33 C ATOM 0 H VAL A 552 15.794 -31.642 -8.490 1.00 65.52 H new ATOM 0 HA VAL A 552 13.224 -30.277 -8.859 1.00 31.32 H new ATOM 0 HB VAL A 552 14.737 -30.772 -6.277 1.00 14.02 H new ATOM 0 HG11 VAL A 552 12.446 -30.474 -5.279 1.00 73.53 H new ATOM 0 HG12 VAL A 552 12.937 -29.039 -6.209 1.00 73.53 H new ATOM 0 HG13 VAL A 552 11.783 -30.199 -6.908 1.00 73.53 H new ATOM 0 HG21 VAL A 552 13.277 -32.736 -5.916 1.00 73.33 H new ATOM 0 HG22 VAL A 552 12.617 -32.542 -7.558 1.00 73.33 H new ATOM 0 HG23 VAL A 552 14.334 -32.952 -7.332 1.00 73.33 H new ATOM 377 N LEU A 553 14.132 -27.959 -8.358 1.00 65.42 N ATOM 378 CA LEU A 553 14.680 -26.617 -8.358 1.00 14.11 C ATOM 379 C LEU A 553 13.960 -25.751 -7.334 1.00 73.54 C ATOM 380 O LEU A 553 12.815 -26.033 -6.968 1.00 41.21 O ATOM 381 CB LEU A 553 14.484 -26.004 -9.745 1.00 3.21 C ATOM 382 CG LEU A 553 14.701 -26.928 -10.963 1.00 30.10 C ATOM 383 CD1 LEU A 553 14.397 -26.114 -12.207 1.00 34.14 C ATOM 384 CD2 LEU A 553 16.116 -27.533 -11.011 1.00 42.24 C ATOM 0 H LEU A 553 13.132 -27.994 -8.553 1.00 65.42 H new ATOM 0 HA LEU A 553 15.739 -26.665 -8.105 1.00 14.11 H new ATOM 0 HB2 LEU A 553 13.470 -25.607 -9.799 1.00 3.21 H new ATOM 0 HB3 LEU A 553 15.163 -25.157 -9.839 1.00 3.21 H new ATOM 0 HG LEU A 553 14.032 -27.786 -10.891 1.00 30.10 H new ATOM 0 HD11 LEU A 553 14.540 -26.735 -13.092 1.00 34.14 H new ATOM 0 HD12 LEU A 553 13.365 -25.766 -12.171 1.00 34.14 H new ATOM 0 HD13 LEU A 553 15.068 -25.256 -12.254 1.00 34.14 H new ATOM 0 HD21 LEU A 553 16.209 -28.173 -11.889 1.00 42.24 H new ATOM 0 HD22 LEU A 553 16.853 -26.732 -11.067 1.00 42.24 H new ATOM 0 HD23 LEU A 553 16.290 -28.123 -10.111 1.00 42.24 H new ATOM 396 N ARG A 554 14.606 -24.671 -6.916 1.00 72.34 N ATOM 397 CA ARG A 554 14.021 -23.722 -5.967 1.00 75.01 C ATOM 398 C ARG A 554 14.317 -22.296 -6.444 1.00 50.13 C ATOM 399 O ARG A 554 15.394 -22.024 -6.968 1.00 14.11 O ATOM 400 CB ARG A 554 14.579 -24.020 -4.550 1.00 70.32 C ATOM 401 CG ARG A 554 14.634 -22.860 -3.534 1.00 65.10 C ATOM 402 CD ARG A 554 16.079 -22.316 -3.316 1.00 2.12 C ATOM 403 NE ARG A 554 16.700 -21.775 -4.534 1.00 52.21 N ATOM 404 CZ ARG A 554 17.847 -21.111 -4.608 1.00 54.21 C ATOM 405 NH1 ARG A 554 18.613 -20.892 -3.571 1.00 45.43 N ATOM 406 NH2 ARG A 554 18.229 -20.664 -5.771 1.00 21.42 N ATOM 0 H ARG A 554 15.548 -24.425 -7.222 1.00 72.34 H new ATOM 0 HA ARG A 554 12.937 -23.825 -5.914 1.00 75.01 H new ATOM 0 HB2 ARG A 554 13.976 -24.817 -4.115 1.00 70.32 H new ATOM 0 HB3 ARG A 554 15.590 -24.411 -4.665 1.00 70.32 H new ATOM 0 HG2 ARG A 554 13.994 -22.049 -3.881 1.00 65.10 H new ATOM 0 HG3 ARG A 554 14.231 -23.199 -2.580 1.00 65.10 H new ATOM 0 HD2 ARG A 554 16.052 -21.535 -2.556 1.00 2.12 H new ATOM 0 HD3 ARG A 554 16.705 -23.119 -2.927 1.00 2.12 H new ATOM 0 HE ARG A 554 16.199 -21.925 -5.410 1.00 52.21 H new ATOM 0 HH11 ARG A 554 18.338 -21.238 -2.652 1.00 45.43 H new ATOM 0 HH12 ARG A 554 19.486 -20.376 -3.682 1.00 45.43 H new ATOM 0 HH21 ARG A 554 17.651 -20.828 -6.595 1.00 21.42 H new ATOM 0 HH22 ARG A 554 19.106 -20.150 -5.857 1.00 21.42 H new ATOM 420 N THR A 555 13.377 -21.381 -6.259 1.00 63.42 N ATOM 421 CA THR A 555 13.615 -19.964 -6.603 1.00 64.43 C ATOM 422 C THR A 555 14.532 -19.314 -5.565 1.00 41.10 C ATOM 423 O THR A 555 14.575 -19.747 -4.412 1.00 43.15 O ATOM 424 CB THR A 555 12.297 -19.137 -6.714 1.00 61.25 C ATOM 425 OG1 THR A 555 12.555 -17.950 -7.465 1.00 52.31 O ATOM 426 CG2 THR A 555 11.757 -18.703 -5.345 1.00 64.20 C ATOM 0 H THR A 555 12.451 -21.578 -5.879 1.00 63.42 H new ATOM 0 HA THR A 555 14.090 -19.959 -7.584 1.00 64.43 H new ATOM 0 HB THR A 555 11.558 -19.778 -7.194 1.00 61.25 H new ATOM 0 HG1 THR A 555 11.731 -17.425 -7.541 1.00 52.31 H new ATOM 0 HG21 THR A 555 10.839 -18.131 -5.481 1.00 64.20 H new ATOM 0 HG22 THR A 555 11.549 -19.585 -4.740 1.00 64.20 H new ATOM 0 HG23 THR A 555 12.499 -18.084 -4.841 1.00 64.20 H new ATOM 434 N SER A 556 15.228 -18.250 -5.947 1.00 74.32 N ATOM 435 CA SER A 556 16.153 -17.526 -5.054 1.00 24.11 C ATOM 436 C SER A 556 15.465 -16.706 -3.947 1.00 31.02 C ATOM 437 O SER A 556 15.923 -15.619 -3.577 1.00 70.43 O ATOM 438 CB SER A 556 17.025 -16.602 -5.901 1.00 4.13 C ATOM 439 OG SER A 556 17.568 -17.325 -6.991 1.00 61.34 O ATOM 0 H SER A 556 15.173 -17.856 -6.886 1.00 74.32 H new ATOM 0 HA SER A 556 16.742 -18.284 -4.537 1.00 24.11 H new ATOM 0 HB2 SER A 556 16.434 -15.763 -6.267 1.00 4.13 H new ATOM 0 HB3 SER A 556 17.828 -16.185 -5.293 1.00 4.13 H new ATOM 0 HG SER A 556 18.126 -16.729 -7.534 1.00 61.34 H new ATOM 445 N GLY A 557 14.373 -17.241 -3.421 1.00 4.52 N ATOM 446 CA GLY A 557 13.620 -16.616 -2.360 1.00 32.11 C ATOM 447 C GLY A 557 13.689 -17.442 -1.108 1.00 33.34 C ATOM 448 O GLY A 557 13.141 -17.079 -0.085 1.00 3.34 O ATOM 0 H GLY A 557 13.985 -18.133 -3.728 1.00 4.52 H new ATOM 0 HA2 GLY A 557 14.013 -15.618 -2.166 1.00 32.11 H new ATOM 0 HA3 GLY A 557 12.581 -16.495 -2.666 1.00 32.11 H new ATOM 452 N ALA A 558 14.371 -18.572 -1.208 1.00 45.34 N ATOM 453 CA ALA A 558 14.522 -19.468 -0.069 1.00 30.12 C ATOM 454 C ALA A 558 15.675 -19.013 0.783 1.00 30.23 C ATOM 455 O ALA A 558 16.689 -18.527 0.282 1.00 30.23 O ATOM 456 CB ALA A 558 14.727 -20.886 -0.496 1.00 4.13 C ATOM 0 H ALA A 558 14.828 -18.891 -2.062 1.00 45.34 H new ATOM 0 HA ALA A 558 13.599 -19.432 0.509 1.00 30.12 H new ATOM 0 HB1 ALA A 558 14.835 -21.519 0.385 1.00 4.13 H new ATOM 0 HB2 ALA A 558 13.868 -21.218 -1.079 1.00 4.13 H new ATOM 0 HB3 ALA A 558 15.628 -20.956 -1.106 1.00 4.13 H new ATOM 462 N ARG A 559 15.487 -19.157 2.077 1.00 20.12 N ATOM 463 CA ARG A 559 16.424 -18.716 3.087 1.00 11.54 C ATOM 464 C ARG A 559 16.352 -19.798 4.156 1.00 62.11 C ATOM 465 O ARG A 559 15.267 -20.125 4.599 1.00 41.10 O ATOM 466 CB ARG A 559 15.936 -17.354 3.619 1.00 41.14 C ATOM 467 CG ARG A 559 15.857 -16.239 2.516 1.00 20.40 C ATOM 468 CD ARG A 559 17.242 -15.761 2.074 1.00 72.42 C ATOM 469 NE ARG A 559 17.154 -14.684 1.066 1.00 23.31 N ATOM 470 CZ ARG A 559 17.219 -14.842 -0.253 1.00 0.01 C ATOM 471 NH1 ARG A 559 17.350 -16.007 -0.828 1.00 33.15 N ATOM 472 NH2 ARG A 559 17.145 -13.793 -1.017 1.00 2.11 N ATOM 0 H ARG A 559 14.653 -19.597 2.467 1.00 20.12 H new ATOM 0 HA ARG A 559 17.447 -18.583 2.734 1.00 11.54 H new ATOM 0 HB2 ARG A 559 14.950 -17.481 4.067 1.00 41.14 H new ATOM 0 HB3 ARG A 559 16.606 -17.022 4.412 1.00 41.14 H new ATOM 0 HG2 ARG A 559 15.315 -16.623 1.652 1.00 20.40 H new ATOM 0 HG3 ARG A 559 15.288 -15.392 2.899 1.00 20.40 H new ATOM 0 HD2 ARG A 559 17.797 -15.403 2.941 1.00 72.42 H new ATOM 0 HD3 ARG A 559 17.802 -16.600 1.661 1.00 72.42 H new ATOM 0 HE ARG A 559 17.032 -13.733 1.413 1.00 23.31 H new ATOM 0 HH11 ARG A 559 17.408 -16.852 -0.260 1.00 33.15 H new ATOM 0 HH12 ARG A 559 17.395 -16.072 -1.845 1.00 33.15 H new ATOM 0 HH21 ARG A 559 17.039 -12.867 -0.603 1.00 2.11 H new ATOM 0 HH22 ARG A 559 17.193 -13.896 -2.031 1.00 2.11 H new ATOM 486 N GLY A 560 17.472 -20.398 4.529 1.00 14.15 N ATOM 487 CA GLY A 560 17.446 -21.449 5.531 1.00 13.13 C ATOM 488 C GLY A 560 17.210 -22.825 4.946 1.00 43.32 C ATOM 489 O GLY A 560 17.420 -23.054 3.756 1.00 21.31 O ATOM 0 H GLY A 560 18.397 -20.179 4.159 1.00 14.15 H new ATOM 0 HA2 GLY A 560 18.392 -21.449 6.073 1.00 13.13 H new ATOM 0 HA3 GLY A 560 16.663 -21.231 6.257 1.00 13.13 H new ATOM 493 N THR A 561 16.788 -23.745 5.793 1.00 53.12 N ATOM 494 CA THR A 561 16.616 -25.145 5.420 1.00 24.23 C ATOM 495 C THR A 561 15.148 -25.454 5.307 1.00 53.53 C ATOM 496 O THR A 561 14.357 -25.142 6.172 1.00 74.35 O ATOM 497 CB THR A 561 17.245 -26.121 6.452 1.00 5.54 C ATOM 498 OG1 THR A 561 18.626 -25.801 6.640 1.00 53.02 O ATOM 499 CG2 THR A 561 17.114 -27.545 6.036 1.00 51.54 C ATOM 0 H THR A 561 16.552 -23.546 6.765 1.00 53.12 H new ATOM 0 HA THR A 561 17.127 -25.287 4.468 1.00 24.23 H new ATOM 0 HB THR A 561 16.700 -26.001 7.388 1.00 5.54 H new ATOM 0 HG1 THR A 561 18.763 -25.466 7.551 1.00 53.02 H new ATOM 0 HG21 THR A 561 17.569 -28.188 6.790 1.00 51.54 H new ATOM 0 HG22 THR A 561 16.059 -27.798 5.932 1.00 51.54 H new ATOM 0 HG23 THR A 561 17.618 -27.693 5.081 1.00 51.54 H new ATOM 507 N VAL A 562 14.807 -26.063 4.202 1.00 41.13 N ATOM 508 CA VAL A 562 13.454 -26.469 3.864 1.00 61.11 C ATOM 509 C VAL A 562 13.548 -27.971 3.595 1.00 2.32 C ATOM 510 O VAL A 562 14.551 -28.429 3.077 1.00 63.05 O ATOM 511 CB VAL A 562 12.976 -25.710 2.585 1.00 1.34 C ATOM 512 CG1 VAL A 562 11.550 -26.098 2.192 1.00 52.53 C ATOM 513 CG2 VAL A 562 13.050 -24.190 2.785 1.00 42.03 C ATOM 0 H VAL A 562 15.486 -26.303 3.479 1.00 41.13 H new ATOM 0 HA VAL A 562 12.740 -26.243 4.656 1.00 61.11 H new ATOM 0 HB VAL A 562 13.649 -26.002 1.779 1.00 1.34 H new ATOM 0 HG11 VAL A 562 11.256 -25.548 1.298 1.00 52.53 H new ATOM 0 HG12 VAL A 562 11.507 -27.168 1.990 1.00 52.53 H new ATOM 0 HG13 VAL A 562 10.869 -25.855 3.008 1.00 52.53 H new ATOM 0 HG21 VAL A 562 12.712 -23.687 1.879 1.00 42.03 H new ATOM 0 HG22 VAL A 562 12.412 -23.901 3.620 1.00 42.03 H new ATOM 0 HG23 VAL A 562 14.079 -23.901 2.998 1.00 42.03 H new ATOM 523 N ILE A 563 12.523 -28.728 3.939 1.00 74.51 N ATOM 524 CA ILE A 563 12.470 -30.148 3.633 1.00 64.04 C ATOM 525 C ILE A 563 11.290 -30.323 2.671 1.00 35.53 C ATOM 526 O ILE A 563 10.273 -29.626 2.809 1.00 23.30 O ATOM 527 CB ILE A 563 12.337 -31.007 4.931 1.00 72.42 C ATOM 528 CG1 ILE A 563 13.103 -32.319 4.759 1.00 31.00 C ATOM 529 CG2 ILE A 563 10.865 -31.306 5.292 1.00 23.21 C ATOM 530 CD1 ILE A 563 13.516 -32.959 6.060 1.00 73.41 C ATOM 0 H ILE A 563 11.705 -28.378 4.437 1.00 74.51 H new ATOM 0 HA ILE A 563 13.391 -30.500 3.168 1.00 64.04 H new ATOM 0 HB ILE A 563 12.761 -30.427 5.751 1.00 72.42 H new ATOM 0 HG12 ILE A 563 12.483 -33.020 4.201 1.00 31.00 H new ATOM 0 HG13 ILE A 563 13.993 -32.133 4.158 1.00 31.00 H new ATOM 0 HG21 ILE A 563 10.828 -31.906 6.202 1.00 23.21 H new ATOM 0 HG22 ILE A 563 10.332 -30.369 5.453 1.00 23.21 H new ATOM 0 HG23 ILE A 563 10.395 -31.855 4.476 1.00 23.21 H new ATOM 0 HD11 ILE A 563 14.054 -33.885 5.855 1.00 73.41 H new ATOM 0 HD12 ILE A 563 14.163 -32.277 6.611 1.00 73.41 H new ATOM 0 HD13 ILE A 563 12.630 -33.179 6.655 1.00 73.41 H new ATOM 542 N VAL A 564 11.425 -31.173 1.662 1.00 62.34 N ATOM 543 CA VAL A 564 10.350 -31.358 0.677 1.00 32.34 C ATOM 544 C VAL A 564 10.057 -32.834 0.361 1.00 63.13 C ATOM 545 O VAL A 564 10.860 -33.503 -0.285 1.00 41.31 O ATOM 546 CB VAL A 564 10.663 -30.646 -0.671 1.00 51.31 C ATOM 547 CG1 VAL A 564 9.406 -30.654 -1.569 1.00 73.43 C ATOM 548 CG2 VAL A 564 11.123 -29.202 -0.431 1.00 4.54 C ATOM 0 H VAL A 564 12.255 -31.743 1.499 1.00 62.34 H new ATOM 0 HA VAL A 564 9.475 -30.914 1.151 1.00 32.34 H new ATOM 0 HB VAL A 564 11.469 -31.185 -1.168 1.00 51.31 H new ATOM 0 HG11 VAL A 564 9.629 -30.155 -2.512 1.00 73.43 H new ATOM 0 HG12 VAL A 564 9.106 -31.683 -1.766 1.00 73.43 H new ATOM 0 HG13 VAL A 564 8.595 -30.130 -1.064 1.00 73.43 H new ATOM 0 HG21 VAL A 564 11.336 -28.724 -1.387 1.00 4.54 H new ATOM 0 HG22 VAL A 564 10.336 -28.650 0.083 1.00 4.54 H new ATOM 0 HG23 VAL A 564 12.024 -29.204 0.182 1.00 4.54 H new ATOM 558 N PRO A 565 8.896 -33.354 0.792 1.00 44.45 N ATOM 559 CA PRO A 565 8.511 -34.712 0.396 1.00 75.44 C ATOM 560 C PRO A 565 8.086 -34.862 -1.035 1.00 11.21 C ATOM 561 O PRO A 565 7.596 -33.920 -1.645 1.00 24.51 O ATOM 562 CB PRO A 565 7.300 -35.005 1.299 1.00 3.14 C ATOM 563 CG PRO A 565 6.730 -33.685 1.584 1.00 53.22 C ATOM 564 CD PRO A 565 7.873 -32.733 1.648 1.00 42.11 C ATOM 0 HA PRO A 565 9.364 -35.383 0.498 1.00 75.44 H new ATOM 0 HB2 PRO A 565 6.578 -35.650 0.798 1.00 3.14 H new ATOM 0 HB3 PRO A 565 7.601 -35.514 2.215 1.00 3.14 H new ATOM 0 HG2 PRO A 565 6.024 -33.392 0.807 1.00 53.22 H new ATOM 0 HG3 PRO A 565 6.181 -33.695 2.526 1.00 53.22 H new ATOM 0 HD2 PRO A 565 7.592 -31.745 1.283 1.00 42.11 H new ATOM 0 HD3 PRO A 565 8.230 -32.605 2.670 1.00 42.11 H new ATOM 572 N PHE A 566 8.203 -36.082 -1.531 1.00 54.42 N ATOM 573 CA PHE A 566 7.719 -36.457 -2.841 1.00 0.52 C ATOM 574 C PHE A 566 7.157 -37.850 -2.744 1.00 44.30 C ATOM 575 O PHE A 566 7.457 -38.556 -1.783 1.00 5.32 O ATOM 576 CB PHE A 566 8.882 -36.480 -3.804 1.00 31.04 C ATOM 577 CG PHE A 566 9.960 -37.477 -3.431 1.00 44.30 C ATOM 578 CD1 PHE A 566 11.015 -37.098 -2.580 1.00 62.41 C ATOM 579 CD2 PHE A 566 9.932 -38.791 -3.937 1.00 65.01 C ATOM 580 CE1 PHE A 566 12.036 -38.020 -2.235 1.00 42.14 C ATOM 581 CE2 PHE A 566 10.949 -39.720 -3.596 1.00 44.22 C ATOM 582 CZ PHE A 566 12.003 -39.330 -2.750 1.00 10.42 C ATOM 0 H PHE A 566 8.644 -36.849 -1.024 1.00 54.42 H new ATOM 0 HA PHE A 566 6.962 -35.752 -3.185 1.00 0.52 H new ATOM 0 HB2 PHE A 566 8.512 -36.715 -4.802 1.00 31.04 H new ATOM 0 HB3 PHE A 566 9.322 -35.484 -3.853 1.00 31.04 H new ATOM 0 HD1 PHE A 566 11.047 -36.093 -2.185 1.00 62.41 H new ATOM 0 HD2 PHE A 566 9.128 -39.095 -4.591 1.00 65.01 H new ATOM 0 HE1 PHE A 566 12.838 -37.718 -1.578 1.00 42.14 H new ATOM 0 HE2 PHE A 566 10.914 -40.727 -3.986 1.00 44.22 H new ATOM 0 HZ PHE A 566 12.783 -40.032 -2.497 1.00 10.42 H new ATOM 592 N ARG A 567 6.401 -38.265 -3.752 1.00 73.01 N ATOM 593 CA ARG A 567 5.951 -39.645 -3.863 1.00 51.33 C ATOM 594 C ARG A 567 5.624 -39.894 -5.327 1.00 51.21 C ATOM 595 O ARG A 567 5.338 -38.938 -6.055 1.00 72.51 O ATOM 596 CB ARG A 567 4.734 -39.874 -2.964 1.00 0.32 C ATOM 597 CG ARG A 567 3.516 -39.091 -3.383 1.00 43.32 C ATOM 598 CD ARG A 567 2.709 -39.836 -4.409 1.00 43.42 C ATOM 599 NE ARG A 567 2.336 -41.213 -4.023 1.00 20.31 N ATOM 600 CZ ARG A 567 1.126 -41.664 -3.736 1.00 61.03 C ATOM 601 NH1 ARG A 567 0.072 -40.888 -3.687 1.00 13.10 N ATOM 602 NH2 ARG A 567 0.989 -42.938 -3.506 1.00 71.55 N ATOM 0 H ARG A 567 6.085 -37.660 -4.510 1.00 73.01 H new ATOM 0 HA ARG A 567 6.722 -40.342 -3.534 1.00 51.33 H new ATOM 0 HB2 ARG A 567 4.489 -40.936 -2.962 1.00 0.32 H new ATOM 0 HB3 ARG A 567 4.994 -39.605 -1.940 1.00 0.32 H new ATOM 0 HG2 ARG A 567 2.896 -38.885 -2.510 1.00 43.32 H new ATOM 0 HG3 ARG A 567 3.824 -38.128 -3.790 1.00 43.32 H new ATOM 0 HD2 ARG A 567 1.799 -39.272 -4.615 1.00 43.42 H new ATOM 0 HD3 ARG A 567 3.277 -39.875 -5.339 1.00 43.42 H new ATOM 0 HE ARG A 567 3.096 -41.891 -3.972 1.00 20.31 H new ATOM 0 HH11 ARG A 567 0.165 -39.890 -3.875 1.00 13.10 H new ATOM 0 HH12 ARG A 567 -0.841 -41.282 -3.461 1.00 13.10 H new ATOM 0 HH21 ARG A 567 1.801 -43.554 -3.550 1.00 71.55 H new ATOM 0 HH22 ARG A 567 0.070 -43.320 -3.282 1.00 71.55 H new ATOM 616 N THR A 568 5.613 -41.146 -5.743 1.00 70.04 N ATOM 617 CA THR A 568 5.301 -41.513 -7.126 1.00 40.50 C ATOM 618 C THR A 568 3.788 -41.735 -7.279 1.00 11.24 C ATOM 619 O THR A 568 3.161 -42.333 -6.424 1.00 11.03 O ATOM 620 CB THR A 568 6.089 -42.768 -7.474 1.00 62.22 C ATOM 621 OG1 THR A 568 7.456 -42.555 -7.112 1.00 14.11 O ATOM 622 CG2 THR A 568 6.068 -43.065 -8.910 1.00 11.50 C ATOM 0 H THR A 568 5.819 -41.942 -5.139 1.00 70.04 H new ATOM 0 HA THR A 568 5.583 -40.714 -7.811 1.00 40.50 H new ATOM 0 HB THR A 568 5.632 -43.599 -6.938 1.00 62.22 H new ATOM 0 HG1 THR A 568 8.025 -43.188 -7.598 1.00 14.11 H new ATOM 0 HG21 THR A 568 6.645 -43.970 -9.103 1.00 11.50 H new ATOM 0 HG22 THR A 568 5.039 -43.215 -9.236 1.00 11.50 H new ATOM 0 HG23 THR A 568 6.505 -42.232 -9.460 1.00 11.50 H new ATOM 630 N VAL A 569 3.202 -41.173 -8.325 1.00 71.45 N ATOM 631 CA VAL A 569 1.769 -41.118 -8.531 1.00 31.34 C ATOM 632 C VAL A 569 1.567 -41.691 -9.889 1.00 33.13 C ATOM 633 O VAL A 569 2.018 -41.159 -10.890 1.00 14.41 O ATOM 634 CB VAL A 569 1.211 -39.664 -8.604 1.00 43.45 C ATOM 635 CG1 VAL A 569 -0.320 -39.688 -8.786 1.00 30.31 C ATOM 636 CG2 VAL A 569 1.547 -38.859 -7.379 1.00 23.04 C ATOM 0 H VAL A 569 3.731 -40.729 -9.076 1.00 71.45 H new ATOM 0 HA VAL A 569 1.270 -41.631 -7.708 1.00 31.34 H new ATOM 0 HB VAL A 569 1.686 -39.188 -9.462 1.00 43.45 H new ATOM 0 HG11 VAL A 569 -0.697 -38.666 -8.835 1.00 30.31 H new ATOM 0 HG12 VAL A 569 -0.568 -40.211 -9.709 1.00 30.31 H new ATOM 0 HG13 VAL A 569 -0.779 -40.203 -7.942 1.00 30.31 H new ATOM 0 HG21 VAL A 569 1.136 -37.855 -7.480 1.00 23.04 H new ATOM 0 HG22 VAL A 569 1.119 -39.340 -6.499 1.00 23.04 H new ATOM 0 HG23 VAL A 569 2.630 -38.799 -7.269 1.00 23.04 H new ATOM 646 N GLU A 570 0.907 -42.803 -9.913 1.00 4.42 N ATOM 647 CA GLU A 570 0.628 -43.480 -11.144 1.00 51.54 C ATOM 648 C GLU A 570 -0.600 -42.888 -11.834 1.00 63.44 C ATOM 649 O GLU A 570 -1.517 -42.390 -11.188 1.00 21.34 O ATOM 650 CB GLU A 570 0.503 -44.972 -10.881 1.00 54.25 C ATOM 651 CG GLU A 570 0.187 -45.414 -9.421 1.00 71.20 C ATOM 652 CD GLU A 570 -1.047 -44.754 -8.794 1.00 70.14 C ATOM 653 OE1 GLU A 570 -2.186 -45.151 -9.098 1.00 3.10 O ATOM 654 OE2 GLU A 570 -0.843 -43.862 -7.926 1.00 3.22 O ATOM 0 H GLU A 570 0.545 -43.270 -9.082 1.00 4.42 H new ATOM 0 HA GLU A 570 1.455 -43.335 -11.839 1.00 51.54 H new ATOM 0 HB2 GLU A 570 -0.280 -45.365 -11.530 1.00 54.25 H new ATOM 0 HB3 GLU A 570 1.436 -45.448 -11.183 1.00 54.25 H new ATOM 0 HG2 GLU A 570 0.048 -46.495 -9.407 1.00 71.20 H new ATOM 0 HG3 GLU A 570 1.053 -45.196 -8.796 1.00 71.20 H new ATOM 661 N GLY A 571 -0.566 -42.893 -13.161 1.00 1.53 N ATOM 662 CA GLY A 571 -1.682 -42.401 -13.952 1.00 41.41 C ATOM 663 C GLY A 571 -2.331 -43.599 -14.607 1.00 53.34 C ATOM 664 O GLY A 571 -3.395 -44.041 -14.199 1.00 74.50 O ATOM 0 H GLY A 571 0.224 -43.233 -13.710 1.00 1.53 H new ATOM 0 HA2 GLY A 571 -2.397 -41.874 -13.321 1.00 41.41 H new ATOM 0 HA3 GLY A 571 -1.337 -41.692 -14.704 1.00 41.41 H new ATOM 668 N THR A 572 -1.626 -44.174 -15.569 1.00 75.40 N ATOM 669 CA THR A 572 -1.971 -45.496 -16.075 1.00 5.40 C ATOM 670 C THR A 572 -0.767 -46.373 -15.756 1.00 64.41 C ATOM 671 O THR A 572 0.324 -46.122 -16.247 1.00 13.34 O ATOM 672 CB THR A 572 -2.343 -45.514 -17.592 1.00 53.02 C ATOM 673 OG1 THR A 572 -2.322 -46.857 -18.076 1.00 34.12 O ATOM 674 CG2 THR A 572 -1.411 -44.674 -18.443 1.00 65.35 C ATOM 0 H THR A 572 -0.813 -43.748 -16.015 1.00 75.40 H new ATOM 0 HA THR A 572 -2.879 -45.864 -15.598 1.00 5.40 H new ATOM 0 HB THR A 572 -3.341 -45.083 -17.673 1.00 53.02 H new ATOM 0 HG1 THR A 572 -2.557 -46.866 -19.027 1.00 34.12 H new ATOM 0 HG21 THR A 572 -1.723 -44.728 -19.486 1.00 65.35 H new ATOM 0 HG22 THR A 572 -1.446 -43.638 -18.107 1.00 65.35 H new ATOM 0 HG23 THR A 572 -0.393 -45.051 -18.349 1.00 65.35 H new ATOM 682 N ALA A 573 -0.968 -47.353 -14.876 1.00 5.53 N ATOM 683 CA ALA A 573 0.063 -48.319 -14.485 1.00 41.30 C ATOM 684 C ALA A 573 -0.661 -49.311 -13.580 1.00 33.14 C ATOM 685 O ALA A 573 -1.827 -49.096 -13.235 1.00 42.23 O ATOM 686 CB ALA A 573 1.245 -47.643 -13.721 1.00 11.41 C ATOM 0 H ALA A 573 -1.862 -47.502 -14.408 1.00 5.53 H new ATOM 0 HA ALA A 573 0.513 -48.792 -15.358 1.00 41.30 H new ATOM 0 HB1 ALA A 573 1.984 -48.398 -13.452 1.00 11.41 H new ATOM 0 HB2 ALA A 573 1.710 -46.892 -14.360 1.00 11.41 H new ATOM 0 HB3 ALA A 573 0.868 -47.166 -12.816 1.00 11.41 H new ATOM 692 N LYS A 574 0.036 -50.355 -13.162 1.00 72.22 N ATOM 693 CA LYS A 574 -0.450 -51.288 -12.154 1.00 30.11 C ATOM 694 C LYS A 574 -0.054 -50.675 -10.806 1.00 20.13 C ATOM 695 O LYS A 574 -0.809 -50.706 -9.834 1.00 54.55 O ATOM 696 CB LYS A 574 0.252 -52.642 -12.310 1.00 22.33 C ATOM 697 CG LYS A 574 0.500 -53.129 -13.756 1.00 33.40 C ATOM 698 CD LYS A 574 -0.658 -53.926 -14.320 1.00 25.35 C ATOM 699 CE LYS A 574 -0.221 -54.682 -15.575 1.00 63.52 C ATOM 700 NZ LYS A 574 0.840 -55.721 -15.280 1.00 53.51 N ATOM 0 H LYS A 574 0.965 -50.582 -13.516 1.00 72.22 H new ATOM 0 HA LYS A 574 -1.524 -51.449 -12.242 1.00 30.11 H new ATOM 0 HB2 LYS A 574 1.213 -52.589 -11.799 1.00 22.33 H new ATOM 0 HB3 LYS A 574 -0.342 -53.396 -11.794 1.00 22.33 H new ATOM 0 HG2 LYS A 574 0.687 -52.267 -14.397 1.00 33.40 H new ATOM 0 HG3 LYS A 574 1.401 -53.743 -13.777 1.00 33.40 H new ATOM 0 HD2 LYS A 574 -1.022 -54.630 -13.572 1.00 25.35 H new ATOM 0 HD3 LYS A 574 -1.486 -53.258 -14.559 1.00 25.35 H new ATOM 0 HE2 LYS A 574 -1.087 -55.168 -16.024 1.00 63.52 H new ATOM 0 HE3 LYS A 574 0.162 -53.973 -16.309 1.00 63.52 H new ATOM 0 HZ1 LYS A 574 1.755 -55.400 -15.657 1.00 53.51 H new ATOM 0 HZ2 LYS A 574 0.917 -55.856 -14.252 1.00 53.51 H new ATOM 0 HZ3 LYS A 574 0.578 -56.622 -15.729 1.00 53.51 H new ATOM 714 N GLY A 575 1.136 -50.086 -10.797 1.00 1.33 N ATOM 715 CA GLY A 575 1.676 -49.398 -9.638 1.00 74.31 C ATOM 716 C GLY A 575 2.160 -50.296 -8.517 1.00 54.45 C ATOM 717 O GLY A 575 2.207 -51.519 -8.629 1.00 35.51 O ATOM 0 H GLY A 575 1.758 -50.074 -11.605 1.00 1.33 H new ATOM 0 HA2 GLY A 575 2.506 -48.771 -9.963 1.00 74.31 H new ATOM 0 HA3 GLY A 575 0.909 -48.732 -9.242 1.00 74.31 H new ATOM 721 N GLY A 576 2.539 -49.671 -7.411 1.00 41.43 N ATOM 722 CA GLY A 576 2.998 -50.413 -6.253 1.00 33.41 C ATOM 723 C GLY A 576 4.444 -50.814 -6.407 1.00 10.54 C ATOM 724 O GLY A 576 5.327 -50.000 -6.178 1.00 12.30 O ATOM 0 H GLY A 576 2.537 -48.658 -7.295 1.00 41.43 H new ATOM 0 HA2 GLY A 576 2.879 -49.805 -5.356 1.00 33.41 H new ATOM 0 HA3 GLY A 576 2.382 -51.302 -6.119 1.00 33.41 H new ATOM 728 N GLY A 577 4.670 -52.082 -6.718 1.00 20.20 N ATOM 729 CA GLY A 577 6.000 -52.597 -7.011 1.00 13.11 C ATOM 730 C GLY A 577 6.068 -53.260 -8.374 1.00 10.20 C ATOM 731 O GLY A 577 6.923 -54.106 -8.571 1.00 64.23 O ATOM 0 H GLY A 577 3.933 -52.785 -6.774 1.00 20.20 H new ATOM 0 HA2 GLY A 577 6.722 -51.781 -6.969 1.00 13.11 H new ATOM 0 HA3 GLY A 577 6.287 -53.316 -6.244 1.00 13.11 H new ATOM 735 N GLU A 578 5.082 -53.019 -9.232 1.00 41.32 N ATOM 736 CA GLU A 578 4.923 -53.824 -10.456 1.00 70.10 C ATOM 737 C GLU A 578 5.558 -53.221 -11.727 1.00 51.24 C ATOM 738 O GLU A 578 6.255 -53.914 -12.445 1.00 13.15 O ATOM 739 CB GLU A 578 3.429 -54.083 -10.663 1.00 14.52 C ATOM 740 CG GLU A 578 3.094 -55.112 -11.744 1.00 14.30 C ATOM 741 CD GLU A 578 1.798 -55.894 -11.448 1.00 13.42 C ATOM 742 OE1 GLU A 578 1.609 -56.340 -10.291 1.00 1.41 O ATOM 743 OE2 GLU A 578 0.972 -56.074 -12.381 1.00 4.23 O ATOM 0 H GLU A 578 4.385 -52.284 -9.113 1.00 41.32 H new ATOM 0 HA GLU A 578 5.475 -54.751 -10.301 1.00 70.10 H new ATOM 0 HB2 GLU A 578 3.000 -54.418 -9.719 1.00 14.52 H new ATOM 0 HB3 GLU A 578 2.944 -53.140 -10.917 1.00 14.52 H new ATOM 0 HG2 GLU A 578 2.995 -54.604 -12.703 1.00 14.30 H new ATOM 0 HG3 GLU A 578 3.922 -55.814 -11.839 1.00 14.30 H new ATOM 750 N ASP A 579 5.332 -51.941 -11.985 1.00 34.21 N ATOM 751 CA ASP A 579 5.935 -51.243 -13.144 1.00 71.22 C ATOM 752 C ASP A 579 7.043 -50.353 -12.631 1.00 10.51 C ATOM 753 O ASP A 579 8.073 -50.153 -13.267 1.00 42.43 O ATOM 754 CB ASP A 579 4.901 -50.352 -13.820 1.00 40.42 C ATOM 755 CG ASP A 579 3.768 -50.044 -12.922 1.00 20.11 C ATOM 756 OD1 ASP A 579 3.944 -49.365 -11.897 1.00 1.44 O ATOM 757 OD2 ASP A 579 2.684 -50.557 -13.192 1.00 62.11 O ATOM 0 H ASP A 579 4.733 -51.349 -11.410 1.00 34.21 H new ATOM 0 HA ASP A 579 6.305 -51.981 -13.856 1.00 71.22 H new ATOM 0 HB2 ASP A 579 5.375 -49.423 -14.139 1.00 40.42 H new ATOM 0 HB3 ASP A 579 4.529 -50.845 -14.718 1.00 40.42 H new ATOM 762 N PHE A 580 6.827 -49.821 -11.446 1.00 24.02 N ATOM 763 CA PHE A 580 7.830 -49.042 -10.764 1.00 40.35 C ATOM 764 C PHE A 580 7.557 -49.281 -9.301 1.00 55.21 C ATOM 765 O PHE A 580 6.457 -49.691 -8.931 1.00 54.35 O ATOM 766 CB PHE A 580 7.720 -47.547 -11.115 1.00 12.12 C ATOM 767 CG PHE A 580 6.396 -46.937 -10.742 1.00 51.34 C ATOM 768 CD1 PHE A 580 6.116 -46.614 -9.402 1.00 31.40 C ATOM 769 CD2 PHE A 580 5.415 -46.695 -11.716 1.00 60.35 C ATOM 770 CE1 PHE A 580 4.874 -46.085 -9.027 1.00 60.42 C ATOM 771 CE2 PHE A 580 4.165 -46.148 -11.351 1.00 1.25 C ATOM 772 CZ PHE A 580 3.904 -45.846 -9.994 1.00 71.44 C ATOM 0 H PHE A 580 5.951 -49.918 -10.932 1.00 24.02 H new ATOM 0 HA PHE A 580 8.841 -49.332 -11.051 1.00 40.35 H new ATOM 0 HB2 PHE A 580 8.517 -47.004 -10.607 1.00 12.12 H new ATOM 0 HB3 PHE A 580 7.880 -47.421 -12.186 1.00 12.12 H new ATOM 0 HD1 PHE A 580 6.872 -46.777 -8.648 1.00 31.40 H new ATOM 0 HD2 PHE A 580 5.617 -46.928 -12.751 1.00 60.35 H new ATOM 0 HE1 PHE A 580 4.671 -45.863 -7.990 1.00 60.42 H new ATOM 0 HE2 PHE A 580 3.413 -45.961 -12.103 1.00 1.25 H new ATOM 0 HZ PHE A 580 2.950 -45.429 -9.709 1.00 71.44 H new ATOM 782 N GLU A 581 8.531 -48.984 -8.466 1.00 52.32 N ATOM 783 CA GLU A 581 8.312 -48.996 -7.020 1.00 31.32 C ATOM 784 C GLU A 581 7.918 -47.594 -6.599 1.00 23.40 C ATOM 785 O GLU A 581 8.643 -46.647 -6.915 1.00 63.12 O ATOM 786 CB GLU A 581 9.582 -49.390 -6.270 1.00 53.53 C ATOM 787 CG GLU A 581 9.990 -50.840 -6.434 1.00 12.52 C ATOM 788 CD GLU A 581 11.247 -51.145 -5.635 1.00 20.20 C ATOM 789 OE1 GLU A 581 11.225 -50.982 -4.389 1.00 1.11 O ATOM 790 OE2 GLU A 581 12.312 -51.380 -6.250 1.00 34.01 O ATOM 0 H GLU A 581 9.477 -48.732 -8.752 1.00 52.32 H new ATOM 0 HA GLU A 581 7.535 -49.723 -6.783 1.00 31.32 H new ATOM 0 HB2 GLU A 581 10.400 -48.756 -6.611 1.00 53.53 H new ATOM 0 HB3 GLU A 581 9.440 -49.185 -5.209 1.00 53.53 H new ATOM 0 HG2 GLU A 581 9.179 -51.489 -6.105 1.00 12.52 H new ATOM 0 HG3 GLU A 581 10.163 -51.056 -7.488 1.00 12.52 H new ATOM 797 N ASP A 582 6.795 -47.448 -5.893 1.00 64.20 N ATOM 798 CA ASP A 582 6.380 -46.126 -5.399 1.00 21.34 C ATOM 799 C ASP A 582 7.453 -45.599 -4.509 1.00 74.53 C ATOM 800 O ASP A 582 7.774 -46.126 -3.441 1.00 75.40 O ATOM 801 CB ASP A 582 5.060 -46.138 -4.646 1.00 41.44 C ATOM 802 CG ASP A 582 4.566 -44.712 -4.254 1.00 31.52 C ATOM 803 OD1 ASP A 582 5.281 -43.711 -4.500 1.00 15.55 O ATOM 804 OD2 ASP A 582 3.459 -44.604 -3.669 1.00 71.04 O ATOM 0 H ASP A 582 6.164 -48.212 -5.652 1.00 64.20 H new ATOM 0 HA ASP A 582 6.226 -45.489 -6.270 1.00 21.34 H new ATOM 0 HB2 ASP A 582 4.302 -46.622 -5.262 1.00 41.44 H new ATOM 0 HB3 ASP A 582 5.169 -46.739 -3.743 1.00 41.44 H new ATOM 809 N ALA A 583 8.061 -44.578 -5.042 1.00 62.45 N ATOM 810 CA ALA A 583 9.222 -43.995 -4.477 1.00 1.24 C ATOM 811 C ALA A 583 8.848 -42.701 -3.789 1.00 1.41 C ATOM 812 O ALA A 583 8.485 -41.717 -4.440 1.00 25.30 O ATOM 813 CB ALA A 583 10.188 -43.784 -5.543 1.00 10.50 C ATOM 0 H ALA A 583 7.748 -44.125 -5.901 1.00 62.45 H new ATOM 0 HA ALA A 583 9.668 -44.648 -3.727 1.00 1.24 H new ATOM 0 HB1 ALA A 583 11.092 -43.335 -5.131 1.00 10.50 H new ATOM 0 HB2 ALA A 583 10.435 -44.740 -6.004 1.00 10.50 H new ATOM 0 HB3 ALA A 583 9.762 -43.118 -6.294 1.00 10.50 H new ATOM 819 N TYR A 584 8.918 -42.719 -2.472 1.00 60.23 N ATOM 820 CA TYR A 584 8.565 -41.568 -1.667 1.00 33.34 C ATOM 821 C TYR A 584 9.583 -41.346 -0.570 1.00 35.44 C ATOM 822 O TYR A 584 10.129 -42.292 -0.007 1.00 61.32 O ATOM 823 CB TYR A 584 7.167 -41.760 -1.071 1.00 64.24 C ATOM 824 CG TYR A 584 6.911 -43.141 -0.503 1.00 40.50 C ATOM 825 CD1 TYR A 584 7.260 -43.474 0.821 1.00 31.21 C ATOM 826 CD2 TYR A 584 6.299 -44.122 -1.300 1.00 21.31 C ATOM 827 CE1 TYR A 584 7.005 -44.785 1.329 1.00 75.12 C ATOM 828 CE2 TYR A 584 6.043 -45.419 -0.809 1.00 21.12 C ATOM 829 CZ TYR A 584 6.403 -45.744 0.501 1.00 10.05 C ATOM 830 OH TYR A 584 6.166 -47.007 0.978 1.00 21.42 O ATOM 0 H TYR A 584 9.220 -43.530 -1.932 1.00 60.23 H new ATOM 0 HA TYR A 584 8.560 -40.684 -2.305 1.00 33.34 H new ATOM 0 HB2 TYR A 584 7.018 -41.023 -0.282 1.00 64.24 H new ATOM 0 HB3 TYR A 584 6.425 -41.555 -1.843 1.00 64.24 H new ATOM 0 HD1 TYR A 584 7.723 -42.733 1.456 1.00 31.21 H new ATOM 0 HD2 TYR A 584 6.018 -43.877 -2.314 1.00 21.31 H new ATOM 0 HE1 TYR A 584 7.274 -45.036 2.344 1.00 75.12 H new ATOM 0 HE2 TYR A 584 5.572 -46.156 -1.442 1.00 21.12 H new ATOM 0 HH TYR A 584 5.743 -47.547 0.278 1.00 21.42 H new ATOM 840 N GLY A 585 9.845 -40.085 -0.274 1.00 53.11 N ATOM 841 CA GLY A 585 10.781 -39.750 0.781 1.00 24.40 C ATOM 842 C GLY A 585 10.771 -38.259 0.968 1.00 72.44 C ATOM 843 O GLY A 585 9.937 -37.587 0.365 1.00 31.14 O ATOM 0 H GLY A 585 9.426 -39.283 -0.746 1.00 53.11 H new ATOM 0 HA2 GLY A 585 10.502 -40.250 1.708 1.00 24.40 H new ATOM 0 HA3 GLY A 585 11.783 -40.093 0.522 1.00 24.40 H new ATOM 847 N GLU A 586 11.694 -37.735 1.759 1.00 74.04 N ATOM 848 CA GLU A 586 11.830 -36.293 1.934 1.00 1.44 C ATOM 849 C GLU A 586 13.206 -35.871 1.487 1.00 3.03 C ATOM 850 O GLU A 586 14.156 -36.642 1.559 1.00 35.40 O ATOM 851 CB GLU A 586 11.614 -35.866 3.386 1.00 20.13 C ATOM 852 CG GLU A 586 10.153 -35.815 3.762 1.00 63.01 C ATOM 853 CD GLU A 586 9.857 -34.915 4.949 1.00 55.11 C ATOM 854 OE1 GLU A 586 10.559 -34.973 5.975 1.00 34.40 O ATOM 855 OE2 GLU A 586 8.881 -34.132 4.844 1.00 23.01 O ATOM 0 H GLU A 586 12.364 -38.288 2.293 1.00 74.04 H new ATOM 0 HA GLU A 586 11.063 -35.808 1.331 1.00 1.44 H new ATOM 0 HB2 GLU A 586 12.132 -36.561 4.047 1.00 20.13 H new ATOM 0 HB3 GLU A 586 12.061 -34.884 3.543 1.00 20.13 H new ATOM 0 HG2 GLU A 586 9.578 -35.469 2.903 1.00 63.01 H new ATOM 0 HG3 GLU A 586 9.810 -36.825 3.989 1.00 63.01 H new ATOM 862 N LEU A 587 13.285 -34.644 1.006 1.00 63.20 N ATOM 863 CA LEU A 587 14.516 -34.086 0.479 1.00 21.33 C ATOM 864 C LEU A 587 14.906 -32.872 1.285 1.00 31.43 C ATOM 865 O LEU A 587 14.130 -31.923 1.390 1.00 45.14 O ATOM 866 CB LEU A 587 14.285 -33.629 -0.957 1.00 55.24 C ATOM 867 CG LEU A 587 13.755 -34.673 -1.940 1.00 23.24 C ATOM 868 CD1 LEU A 587 13.191 -33.954 -3.133 1.00 63.34 C ATOM 869 CD2 LEU A 587 14.819 -35.647 -2.376 1.00 1.12 C ATOM 0 H LEU A 587 12.492 -34.003 0.970 1.00 63.20 H new ATOM 0 HA LEU A 587 15.297 -34.845 0.526 1.00 21.33 H new ATOM 0 HB2 LEU A 587 13.584 -32.794 -0.938 1.00 55.24 H new ATOM 0 HB3 LEU A 587 15.228 -33.245 -1.346 1.00 55.24 H new ATOM 0 HG LEU A 587 12.984 -35.259 -1.439 1.00 23.24 H new ATOM 0 HD11 LEU A 587 12.807 -34.681 -3.848 1.00 63.34 H new ATOM 0 HD12 LEU A 587 12.382 -33.297 -2.813 1.00 63.34 H new ATOM 0 HD13 LEU A 587 13.975 -33.361 -3.604 1.00 63.34 H new ATOM 0 HD21 LEU A 587 14.390 -36.367 -3.073 1.00 1.12 H new ATOM 0 HD22 LEU A 587 15.629 -35.106 -2.865 1.00 1.12 H new ATOM 0 HD23 LEU A 587 15.209 -36.174 -1.505 1.00 1.12 H new ATOM 881 N GLU A 588 16.099 -32.877 1.839 1.00 60.13 N ATOM 882 CA GLU A 588 16.608 -31.728 2.541 1.00 13.02 C ATOM 883 C GLU A 588 17.156 -30.728 1.530 1.00 2.25 C ATOM 884 O GLU A 588 17.909 -31.054 0.619 1.00 30.35 O ATOM 885 CB GLU A 588 17.678 -32.142 3.578 1.00 20.31 C ATOM 886 CG GLU A 588 19.090 -32.512 3.036 1.00 14.44 C ATOM 887 CD GLU A 588 19.087 -33.651 2.013 1.00 34.23 C ATOM 888 OE1 GLU A 588 18.291 -34.602 2.168 1.00 52.04 O ATOM 889 OE2 GLU A 588 19.878 -33.586 1.047 1.00 70.42 O ATOM 0 H GLU A 588 16.736 -33.673 1.814 1.00 60.13 H new ATOM 0 HA GLU A 588 15.800 -31.253 3.098 1.00 13.02 H new ATOM 0 HB2 GLU A 588 17.793 -31.324 4.289 1.00 20.31 H new ATOM 0 HB3 GLU A 588 17.295 -32.997 4.135 1.00 20.31 H new ATOM 0 HG2 GLU A 588 19.535 -31.628 2.579 1.00 14.44 H new ATOM 0 HG3 GLU A 588 19.727 -32.792 3.874 1.00 14.44 H new ATOM 896 N PHE A 589 16.769 -29.486 1.716 1.00 23.03 N ATOM 897 CA PHE A 589 17.336 -28.383 0.957 1.00 65.00 C ATOM 898 C PHE A 589 17.842 -27.390 1.986 1.00 40.54 C ATOM 899 O PHE A 589 17.048 -26.745 2.654 1.00 42.51 O ATOM 900 CB PHE A 589 16.255 -27.684 0.122 1.00 54.14 C ATOM 901 CG PHE A 589 15.782 -28.469 -1.073 1.00 75.12 C ATOM 902 CD1 PHE A 589 14.838 -29.510 -0.944 1.00 44.31 C ATOM 903 CD2 PHE A 589 16.247 -28.133 -2.356 1.00 55.34 C ATOM 904 CE1 PHE A 589 14.361 -30.191 -2.078 1.00 75.11 C ATOM 905 CE2 PHE A 589 15.772 -28.814 -3.497 1.00 1.23 C ATOM 906 CZ PHE A 589 14.824 -29.843 -3.349 1.00 10.00 C ATOM 0 H PHE A 589 16.057 -29.208 2.392 1.00 23.03 H new ATOM 0 HA PHE A 589 18.115 -28.743 0.285 1.00 65.00 H new ATOM 0 HB2 PHE A 589 15.399 -27.472 0.763 1.00 54.14 H new ATOM 0 HB3 PHE A 589 16.642 -26.724 -0.220 1.00 54.14 H new ATOM 0 HD1 PHE A 589 14.478 -29.787 0.036 1.00 44.31 H new ATOM 0 HD2 PHE A 589 16.976 -27.345 -2.470 1.00 55.34 H new ATOM 0 HE1 PHE A 589 13.636 -30.984 -1.966 1.00 75.11 H new ATOM 0 HE2 PHE A 589 16.134 -28.547 -4.479 1.00 1.23 H new ATOM 0 HZ PHE A 589 14.454 -30.364 -4.219 1.00 10.00 H new ATOM 916 N LYS A 590 19.142 -27.144 2.021 1.00 42.02 N ATOM 917 CA LYS A 590 19.706 -26.108 2.880 1.00 61.10 C ATOM 918 C LYS A 590 20.147 -24.950 2.011 1.00 43.11 C ATOM 919 O LYS A 590 21.289 -24.865 1.596 1.00 3.11 O ATOM 920 CB LYS A 590 20.864 -26.652 3.722 1.00 34.51 C ATOM 921 CG LYS A 590 21.386 -25.634 4.732 1.00 14.34 C ATOM 922 CD LYS A 590 22.060 -26.316 5.917 1.00 61.02 C ATOM 923 CE LYS A 590 22.593 -25.286 6.916 1.00 2.52 C ATOM 924 NZ LYS A 590 21.490 -24.495 7.570 1.00 62.05 N ATOM 0 H LYS A 590 19.831 -27.648 1.463 1.00 42.02 H new ATOM 0 HA LYS A 590 18.948 -25.764 3.583 1.00 61.10 H new ATOM 0 HB2 LYS A 590 20.535 -27.546 4.251 1.00 34.51 H new ATOM 0 HB3 LYS A 590 21.678 -26.953 3.062 1.00 34.51 H new ATOM 0 HG2 LYS A 590 22.096 -24.967 4.243 1.00 14.34 H new ATOM 0 HG3 LYS A 590 20.561 -25.017 5.087 1.00 14.34 H new ATOM 0 HD2 LYS A 590 21.348 -26.975 6.414 1.00 61.02 H new ATOM 0 HD3 LYS A 590 22.879 -26.941 5.563 1.00 61.02 H new ATOM 0 HE2 LYS A 590 23.175 -25.796 7.684 1.00 2.52 H new ATOM 0 HE3 LYS A 590 23.271 -24.604 6.403 1.00 2.52 H new ATOM 0 HZ1 LYS A 590 21.885 -23.922 8.343 1.00 62.05 H new ATOM 0 HZ2 LYS A 590 21.047 -23.870 6.867 1.00 62.05 H new ATOM 0 HZ3 LYS A 590 20.775 -25.147 7.952 1.00 62.05 H new ATOM 938 N ASN A 591 19.185 -24.079 1.735 1.00 4.21 N ATOM 939 CA ASN A 591 19.343 -22.851 0.948 1.00 24.05 C ATOM 940 C ASN A 591 19.964 -22.959 -0.466 1.00 12.21 C ATOM 941 O ASN A 591 19.261 -22.764 -1.456 1.00 43.10 O ATOM 942 CB ASN A 591 20.107 -21.824 1.808 1.00 35.42 C ATOM 943 CG ASN A 591 19.588 -20.449 1.674 1.00 32.34 C ATOM 944 OD1 ASN A 591 19.684 -19.635 2.582 1.00 42.55 O ATOM 945 ND2 ASN A 591 18.922 -20.217 0.630 1.00 11.45 N ATOM 0 H ASN A 591 18.229 -24.210 2.066 1.00 4.21 H new ATOM 0 HA ASN A 591 18.325 -22.540 0.715 1.00 24.05 H new ATOM 0 HB2 ASN A 591 20.053 -22.125 2.854 1.00 35.42 H new ATOM 0 HB3 ASN A 591 21.160 -21.837 1.527 1.00 35.42 H new ATOM 0 HD21 ASN A 591 18.439 -19.325 0.521 1.00 11.45 H new ATOM 0 HD22 ASN A 591 18.865 -20.921 -0.106 1.00 11.45 H new ATOM 952 N ASP A 592 21.260 -23.214 -0.535 1.00 22.34 N ATOM 953 CA ASP A 592 22.054 -23.268 -1.771 1.00 11.23 C ATOM 954 C ASP A 592 21.912 -24.623 -2.462 1.00 35.43 C ATOM 955 O ASP A 592 22.085 -24.745 -3.664 1.00 0.31 O ATOM 956 CB ASP A 592 23.500 -22.933 -1.453 1.00 52.14 C ATOM 957 CG ASP A 592 23.641 -21.526 -0.905 1.00 31.34 C ATOM 958 OD1 ASP A 592 23.095 -20.588 -1.537 1.00 12.41 O ATOM 959 OD2 ASP A 592 24.169 -21.366 0.214 1.00 20.11 O ATOM 0 H ASP A 592 21.819 -23.398 0.298 1.00 22.34 H new ATOM 0 HA ASP A 592 21.678 -22.526 -2.475 1.00 11.23 H new ATOM 0 HB2 ASP A 592 23.888 -23.647 -0.727 1.00 52.14 H new ATOM 0 HB3 ASP A 592 24.104 -23.035 -2.354 1.00 52.14 H new ATOM 964 N GLU A 593 21.543 -25.616 -1.658 1.00 70.31 N ATOM 965 CA GLU A 593 21.122 -26.987 -2.070 1.00 35.45 C ATOM 966 C GLU A 593 19.984 -27.090 -3.099 1.00 4.53 C ATOM 967 O GLU A 593 19.283 -28.090 -3.160 1.00 1.13 O ATOM 968 CB GLU A 593 20.734 -27.795 -0.829 1.00 44.04 C ATOM 969 CG GLU A 593 21.875 -28.040 0.145 1.00 24.33 C ATOM 970 CD GLU A 593 22.936 -28.955 -0.436 1.00 35.10 C ATOM 971 OE1 GLU A 593 22.573 -30.057 -0.905 1.00 34.43 O ATOM 972 OE2 GLU A 593 24.120 -28.583 -0.416 1.00 4.41 O ATOM 0 H GLU A 593 21.522 -25.498 -0.645 1.00 70.31 H new ATOM 0 HA GLU A 593 21.997 -27.385 -2.584 1.00 35.45 H new ATOM 0 HB2 GLU A 593 19.933 -27.272 -0.306 1.00 44.04 H new ATOM 0 HB3 GLU A 593 20.332 -28.757 -1.148 1.00 44.04 H new ATOM 0 HG2 GLU A 593 22.329 -27.087 0.418 1.00 24.33 H new ATOM 0 HG3 GLU A 593 21.481 -28.479 1.061 1.00 24.33 H new ATOM 979 N THR A 594 19.709 -26.007 -3.804 1.00 11.11 N ATOM 980 CA THR A 594 18.546 -25.868 -4.676 1.00 12.34 C ATOM 981 C THR A 594 18.674 -26.702 -5.949 1.00 44.20 C ATOM 982 O THR A 594 17.857 -26.593 -6.866 1.00 62.31 O ATOM 983 CB THR A 594 18.443 -24.380 -5.101 1.00 4.44 C ATOM 984 OG1 THR A 594 17.454 -24.198 -6.111 1.00 30.45 O ATOM 985 CG2 THR A 594 19.752 -23.834 -5.641 1.00 61.24 C ATOM 0 H THR A 594 20.301 -25.176 -3.789 1.00 11.11 H new ATOM 0 HA THR A 594 17.669 -26.211 -4.126 1.00 12.34 H new ATOM 0 HB THR A 594 18.173 -23.839 -4.194 1.00 4.44 H new ATOM 0 HG1 THR A 594 17.142 -25.072 -6.425 1.00 30.45 H new ATOM 0 HG21 THR A 594 19.622 -22.789 -5.923 1.00 61.24 H new ATOM 0 HG22 THR A 594 20.522 -23.909 -4.873 1.00 61.24 H new ATOM 0 HG23 THR A 594 20.054 -24.411 -6.515 1.00 61.24 H new ATOM 993 N VAL A 595 19.638 -27.602 -5.962 1.00 74.22 N ATOM 994 CA VAL A 595 19.712 -28.610 -7.000 1.00 15.30 C ATOM 995 C VAL A 595 19.673 -29.928 -6.254 1.00 14.33 C ATOM 996 O VAL A 595 20.600 -30.271 -5.523 1.00 32.45 O ATOM 997 CB VAL A 595 21.007 -28.503 -7.857 1.00 25.33 C ATOM 998 CG1 VAL A 595 20.730 -28.986 -9.287 1.00 44.35 C ATOM 999 CG2 VAL A 595 21.537 -27.051 -7.874 1.00 34.22 C ATOM 0 H VAL A 595 20.381 -27.655 -5.265 1.00 74.22 H new ATOM 0 HA VAL A 595 18.895 -28.496 -7.712 1.00 15.30 H new ATOM 0 HB VAL A 595 21.772 -29.138 -7.409 1.00 25.33 H new ATOM 0 HG11 VAL A 595 21.641 -28.908 -9.880 1.00 44.35 H new ATOM 0 HG12 VAL A 595 20.401 -30.025 -9.263 1.00 44.35 H new ATOM 0 HG13 VAL A 595 19.951 -28.369 -9.735 1.00 44.35 H new ATOM 0 HG21 VAL A 595 22.442 -27.001 -8.479 1.00 34.22 H new ATOM 0 HG22 VAL A 595 20.780 -26.392 -8.299 1.00 34.22 H new ATOM 0 HG23 VAL A 595 21.763 -26.734 -6.856 1.00 34.22 H new ATOM 1009 N LYS A 596 18.558 -30.623 -6.372 1.00 52.24 N ATOM 1010 CA LYS A 596 18.356 -31.882 -5.672 1.00 44.35 C ATOM 1011 C LYS A 596 17.618 -32.763 -6.636 1.00 25.01 C ATOM 1012 O LYS A 596 17.202 -32.288 -7.685 1.00 52.45 O ATOM 1013 CB LYS A 596 17.548 -31.643 -4.393 1.00 73.11 C ATOM 1014 CG LYS A 596 17.601 -32.768 -3.345 1.00 11.21 C ATOM 1015 CD LYS A 596 19.017 -33.080 -2.853 1.00 12.14 C ATOM 1016 CE LYS A 596 19.631 -31.875 -2.159 1.00 10.41 C ATOM 1017 NZ LYS A 596 20.784 -32.238 -1.272 1.00 31.12 N ATOM 0 H LYS A 596 17.770 -30.335 -6.952 1.00 52.24 H new ATOM 0 HA LYS A 596 19.294 -32.344 -5.364 1.00 44.35 H new ATOM 0 HB2 LYS A 596 17.903 -30.723 -3.929 1.00 73.11 H new ATOM 0 HB3 LYS A 596 16.506 -31.479 -4.670 1.00 73.11 H new ATOM 0 HG2 LYS A 596 16.982 -32.488 -2.492 1.00 11.21 H new ATOM 0 HG3 LYS A 596 17.166 -33.672 -3.772 1.00 11.21 H new ATOM 0 HD2 LYS A 596 18.989 -33.925 -2.165 1.00 12.14 H new ATOM 0 HD3 LYS A 596 19.642 -33.376 -3.696 1.00 12.14 H new ATOM 0 HE2 LYS A 596 19.968 -31.162 -2.911 1.00 10.41 H new ATOM 0 HE3 LYS A 596 18.866 -31.375 -1.565 1.00 10.41 H new ATOM 0 HZ1 LYS A 596 21.348 -31.388 -1.070 1.00 31.12 H new ATOM 0 HZ2 LYS A 596 20.425 -32.635 -0.380 1.00 31.12 H new ATOM 0 HZ3 LYS A 596 21.381 -32.943 -1.749 1.00 31.12 H new ATOM 1031 N THR A 597 17.466 -34.030 -6.317 1.00 60.20 N ATOM 1032 CA THR A 597 16.868 -34.963 -7.234 1.00 35.22 C ATOM 1033 C THR A 597 15.972 -35.966 -6.531 1.00 63.52 C ATOM 1034 O THR A 597 16.118 -36.204 -5.337 1.00 71.40 O ATOM 1035 CB THR A 597 17.989 -35.738 -7.893 1.00 32.43 C ATOM 1036 OG1 THR A 597 19.214 -35.483 -7.200 1.00 42.33 O ATOM 1037 CG2 THR A 597 18.191 -35.369 -9.364 1.00 2.44 C ATOM 0 H THR A 597 17.751 -34.434 -5.425 1.00 60.20 H new ATOM 0 HA THR A 597 16.263 -34.402 -7.946 1.00 35.22 H new ATOM 0 HB THR A 597 17.709 -36.790 -7.846 1.00 32.43 H new ATOM 0 HG1 THR A 597 19.941 -35.985 -7.624 1.00 42.33 H new ATOM 0 HG21 THR A 597 19.009 -35.959 -9.778 1.00 2.44 H new ATOM 0 HG22 THR A 597 17.276 -35.576 -9.920 1.00 2.44 H new ATOM 0 HG23 THR A 597 18.432 -34.309 -9.443 1.00 2.44 H new ATOM 1045 N ILE A 598 15.068 -36.566 -7.291 1.00 54.34 N ATOM 1046 CA ILE A 598 14.188 -37.630 -6.797 1.00 71.01 C ATOM 1047 C ILE A 598 14.468 -38.850 -7.625 1.00 41.44 C ATOM 1048 O ILE A 598 14.481 -38.759 -8.833 1.00 20.42 O ATOM 1049 CB ILE A 598 12.693 -37.272 -6.965 1.00 71.33 C ATOM 1050 CG1 ILE A 598 12.351 -36.178 -5.954 1.00 24.23 C ATOM 1051 CG2 ILE A 598 11.804 -38.544 -6.799 1.00 13.05 C ATOM 1052 CD1 ILE A 598 11.012 -35.508 -6.130 1.00 22.51 C ATOM 0 H ILE A 598 14.919 -36.332 -8.273 1.00 54.34 H new ATOM 0 HA ILE A 598 14.380 -37.784 -5.735 1.00 71.01 H new ATOM 0 HB ILE A 598 12.495 -36.894 -7.968 1.00 71.33 H new ATOM 0 HG12 ILE A 598 12.390 -36.610 -4.954 1.00 24.23 H new ATOM 0 HG13 ILE A 598 13.126 -35.413 -6.001 1.00 24.23 H new ATOM 0 HG21 ILE A 598 10.755 -38.273 -6.920 1.00 13.05 H new ATOM 0 HG22 ILE A 598 12.078 -39.281 -7.554 1.00 13.05 H new ATOM 0 HG23 ILE A 598 11.957 -38.968 -5.806 1.00 13.05 H new ATOM 0 HD11 ILE A 598 10.880 -34.751 -5.357 1.00 22.51 H new ATOM 0 HD12 ILE A 598 10.968 -35.036 -7.112 1.00 22.51 H new ATOM 0 HD13 ILE A 598 10.219 -36.252 -6.049 1.00 22.51 H new ATOM 1064 N ARG A 599 14.672 -39.978 -6.962 1.00 51.33 N ATOM 1065 CA ARG A 599 14.950 -41.256 -7.628 1.00 52.32 C ATOM 1066 C ARG A 599 13.808 -42.240 -7.478 1.00 65.22 C ATOM 1067 O ARG A 599 13.289 -42.428 -6.382 1.00 74.01 O ATOM 1068 CB ARG A 599 16.233 -41.875 -7.069 1.00 4.34 C ATOM 1069 CG ARG A 599 17.449 -41.209 -7.639 1.00 14.21 C ATOM 1070 CD ARG A 599 18.755 -41.880 -7.321 1.00 53.03 C ATOM 1071 NE ARG A 599 19.790 -41.186 -8.101 1.00 11.44 N ATOM 1072 CZ ARG A 599 20.820 -41.742 -8.717 1.00 43.00 C ATOM 1073 NH1 ARG A 599 21.088 -43.024 -8.644 1.00 25.11 N ATOM 1074 NH2 ARG A 599 21.587 -40.978 -9.442 1.00 44.33 N ATOM 0 H ARG A 599 14.651 -40.041 -5.944 1.00 51.33 H new ATOM 0 HA ARG A 599 15.071 -41.044 -8.690 1.00 52.32 H new ATOM 0 HB2 ARG A 599 16.241 -41.784 -5.983 1.00 4.34 H new ATOM 0 HB3 ARG A 599 16.257 -42.940 -7.300 1.00 4.34 H new ATOM 0 HG2 ARG A 599 17.340 -41.156 -8.722 1.00 14.21 H new ATOM 0 HG3 ARG A 599 17.487 -40.183 -7.272 1.00 14.21 H new ATOM 0 HD2 ARG A 599 18.970 -41.821 -6.254 1.00 53.03 H new ATOM 0 HD3 ARG A 599 18.719 -42.938 -7.581 1.00 53.03 H new ATOM 0 HE ARG A 599 19.705 -40.172 -8.175 1.00 11.44 H new ATOM 0 HH11 ARG A 599 20.489 -43.640 -8.093 1.00 25.11 H new ATOM 0 HH12 ARG A 599 21.895 -43.405 -9.138 1.00 25.11 H new ATOM 0 HH21 ARG A 599 21.385 -39.981 -9.522 1.00 44.33 H new ATOM 0 HH22 ARG A 599 22.389 -41.377 -9.930 1.00 44.33 H new ATOM 1088 N VAL A 600 13.445 -42.876 -8.583 1.00 73.12 N ATOM 1089 CA VAL A 600 12.366 -43.873 -8.616 1.00 11.32 C ATOM 1090 C VAL A 600 12.887 -45.102 -9.345 1.00 61.53 C ATOM 1091 O VAL A 600 13.474 -44.975 -10.414 1.00 63.14 O ATOM 1092 CB VAL A 600 11.121 -43.327 -9.376 1.00 64.03 C ATOM 1093 CG1 VAL A 600 9.984 -44.316 -9.386 1.00 52.20 C ATOM 1094 CG2 VAL A 600 10.686 -41.980 -8.795 1.00 64.20 C ATOM 0 H VAL A 600 13.887 -42.720 -9.489 1.00 73.12 H new ATOM 0 HA VAL A 600 12.066 -44.112 -7.596 1.00 11.32 H new ATOM 0 HB VAL A 600 11.410 -43.174 -10.416 1.00 64.03 H new ATOM 0 HG11 VAL A 600 9.138 -43.892 -9.927 1.00 52.20 H new ATOM 0 HG12 VAL A 600 10.305 -45.235 -9.877 1.00 52.20 H new ATOM 0 HG13 VAL A 600 9.686 -44.538 -8.361 1.00 52.20 H new ATOM 0 HG21 VAL A 600 9.815 -41.614 -9.338 1.00 64.20 H new ATOM 0 HG22 VAL A 600 10.432 -42.103 -7.742 1.00 64.20 H new ATOM 0 HG23 VAL A 600 11.501 -41.262 -8.890 1.00 64.20 H new ATOM 1104 N LYS A 601 12.708 -46.279 -8.758 1.00 24.13 N ATOM 1105 CA LYS A 601 13.176 -47.529 -9.372 1.00 2.43 C ATOM 1106 C LYS A 601 12.116 -47.984 -10.356 1.00 11.14 C ATOM 1107 O LYS A 601 10.937 -47.980 -10.016 1.00 75.02 O ATOM 1108 CB LYS A 601 13.359 -48.635 -8.323 1.00 63.53 C ATOM 1109 CG LYS A 601 14.565 -48.458 -7.376 1.00 25.15 C ATOM 1110 CD LYS A 601 14.299 -47.554 -6.142 1.00 21.32 C ATOM 1111 CE LYS A 601 13.247 -48.133 -5.179 1.00 1.22 C ATOM 1112 NZ LYS A 601 13.620 -49.489 -4.658 1.00 24.41 N ATOM 0 H LYS A 601 12.243 -46.401 -7.858 1.00 24.13 H new ATOM 0 HA LYS A 601 14.136 -47.348 -9.855 1.00 2.43 H new ATOM 0 HB2 LYS A 601 12.452 -48.695 -7.721 1.00 63.53 H new ATOM 0 HB3 LYS A 601 13.462 -49.589 -8.840 1.00 63.53 H new ATOM 0 HG2 LYS A 601 14.882 -49.441 -7.027 1.00 25.15 H new ATOM 0 HG3 LYS A 601 15.396 -48.038 -7.943 1.00 25.15 H new ATOM 0 HD2 LYS A 601 15.234 -47.405 -5.601 1.00 21.32 H new ATOM 0 HD3 LYS A 601 13.968 -46.573 -6.483 1.00 21.32 H new ATOM 0 HE2 LYS A 601 13.114 -47.450 -4.340 1.00 1.22 H new ATOM 0 HE3 LYS A 601 12.288 -48.197 -5.692 1.00 1.22 H new ATOM 0 HZ1 LYS A 601 12.940 -49.779 -3.927 1.00 24.41 H new ATOM 0 HZ2 LYS A 601 13.605 -50.177 -5.438 1.00 24.41 H new ATOM 0 HZ3 LYS A 601 14.575 -49.453 -4.247 1.00 24.41 H new ATOM 1126 N ILE A 602 12.531 -48.384 -11.547 1.00 15.03 N ATOM 1127 CA ILE A 602 11.603 -48.902 -12.551 1.00 4.10 C ATOM 1128 C ILE A 602 11.765 -50.417 -12.493 1.00 14.45 C ATOM 1129 O ILE A 602 12.883 -50.918 -12.384 1.00 21.40 O ATOM 1130 CB ILE A 602 11.892 -48.337 -13.986 1.00 13.21 C ATOM 1131 CG1 ILE A 602 12.138 -46.802 -13.929 1.00 60.11 C ATOM 1132 CG2 ILE A 602 10.705 -48.677 -14.935 1.00 62.43 C ATOM 1133 CD1 ILE A 602 10.961 -45.958 -13.410 1.00 1.42 C ATOM 0 H ILE A 602 13.506 -48.362 -11.847 1.00 15.03 H new ATOM 0 HA ILE A 602 10.579 -48.593 -12.341 1.00 4.10 H new ATOM 0 HB ILE A 602 12.795 -48.805 -14.378 1.00 13.21 H new ATOM 0 HG12 ILE A 602 13.004 -46.614 -13.294 1.00 60.11 H new ATOM 0 HG13 ILE A 602 12.396 -46.456 -14.930 1.00 60.11 H new ATOM 0 HG21 ILE A 602 10.910 -48.283 -15.930 1.00 62.43 H new ATOM 0 HG22 ILE A 602 10.583 -49.759 -14.991 1.00 62.43 H new ATOM 0 HG23 ILE A 602 9.790 -48.228 -14.548 1.00 62.43 H new ATOM 0 HD11 ILE A 602 11.240 -44.904 -13.412 1.00 1.42 H new ATOM 0 HD12 ILE A 602 10.095 -46.105 -14.056 1.00 1.42 H new ATOM 0 HD13 ILE A 602 10.713 -46.266 -12.394 1.00 1.42 H new ATOM 1145 N VAL A 603 10.648 -51.121 -12.450 1.00 61.12 N ATOM 1146 CA VAL A 603 10.631 -52.572 -12.257 1.00 41.42 C ATOM 1147 C VAL A 603 10.555 -53.298 -13.609 1.00 31.23 C ATOM 1148 O VAL A 603 9.901 -52.842 -14.538 1.00 33.32 O ATOM 1149 CB VAL A 603 9.423 -52.946 -11.337 1.00 10.21 C ATOM 1150 CG1 VAL A 603 9.299 -54.451 -11.124 1.00 44.52 C ATOM 1151 CG2 VAL A 603 9.587 -52.265 -9.966 1.00 75.12 C ATOM 0 H VAL A 603 9.721 -50.707 -12.548 1.00 61.12 H new ATOM 0 HA VAL A 603 11.555 -52.891 -11.774 1.00 41.42 H new ATOM 0 HB VAL A 603 8.519 -52.600 -11.838 1.00 10.21 H new ATOM 0 HG11 VAL A 603 8.445 -54.658 -10.479 1.00 44.52 H new ATOM 0 HG12 VAL A 603 9.155 -54.944 -12.085 1.00 44.52 H new ATOM 0 HG13 VAL A 603 10.208 -54.828 -10.656 1.00 44.52 H new ATOM 0 HG21 VAL A 603 8.744 -52.527 -9.326 1.00 75.12 H new ATOM 0 HG22 VAL A 603 10.514 -52.602 -9.501 1.00 75.12 H new ATOM 0 HG23 VAL A 603 9.620 -51.184 -10.098 1.00 75.12 H new ATOM 1295 N GLU A 612 2.642 -47.330 -20.170 1.00 31.13 N ATOM 1296 CA GLU A 612 2.337 -46.822 -18.848 1.00 14.32 C ATOM 1297 C GLU A 612 2.970 -45.458 -18.603 1.00 52.41 C ATOM 1298 O GLU A 612 3.976 -45.080 -19.212 1.00 40.04 O ATOM 1299 CB GLU A 612 2.756 -47.842 -17.787 1.00 43.31 C ATOM 1300 CG GLU A 612 2.149 -49.238 -18.033 1.00 1.00 C ATOM 1301 CD GLU A 612 0.681 -49.189 -18.481 1.00 71.32 C ATOM 1302 OE1 GLU A 612 -0.186 -48.673 -17.735 1.00 1.32 O ATOM 1303 OE2 GLU A 612 0.391 -49.663 -19.593 1.00 71.42 O ATOM 0 HA GLU A 612 1.259 -46.676 -18.778 1.00 14.32 H new ATOM 0 HB2 GLU A 612 3.843 -47.920 -17.773 1.00 43.31 H new ATOM 0 HB3 GLU A 612 2.449 -47.485 -16.804 1.00 43.31 H new ATOM 0 HG2 GLU A 612 2.737 -49.754 -18.792 1.00 1.00 H new ATOM 0 HG3 GLU A 612 2.224 -49.826 -17.118 1.00 1.00 H new ATOM 1310 N ASN A 613 2.315 -44.702 -17.742 1.00 41.02 N ATOM 1311 CA ASN A 613 2.656 -43.317 -17.462 1.00 33.34 C ATOM 1312 C ASN A 613 2.446 -43.030 -15.990 1.00 20.23 C ATOM 1313 O ASN A 613 1.385 -43.330 -15.427 1.00 62.43 O ATOM 1314 CB ASN A 613 1.751 -42.389 -18.261 1.00 12.24 C ATOM 1315 CG ASN A 613 2.090 -40.937 -18.053 1.00 5.35 C ATOM 1316 OD1 ASN A 613 2.940 -40.386 -18.706 1.00 13.12 O ATOM 1317 ND2 ASN A 613 1.411 -40.317 -17.144 1.00 50.14 N ATOM 0 H ASN A 613 1.515 -45.039 -17.206 1.00 41.02 H new ATOM 0 HA ASN A 613 3.698 -43.151 -17.736 1.00 33.34 H new ATOM 0 HB2 ASN A 613 1.833 -42.630 -19.321 1.00 12.24 H new ATOM 0 HB3 ASN A 613 0.714 -42.562 -17.974 1.00 12.24 H new ATOM 0 HD21 ASN A 613 1.587 -39.329 -16.960 1.00 50.14 H new ATOM 0 HD22 ASN A 613 0.699 -40.816 -16.610 1.00 50.14 H new ATOM 1324 N PHE A 614 3.422 -42.384 -15.379 1.00 54.01 N ATOM 1325 CA PHE A 614 3.321 -41.997 -13.984 1.00 55.12 C ATOM 1326 C PHE A 614 3.967 -40.640 -13.829 1.00 30.15 C ATOM 1327 O PHE A 614 4.615 -40.151 -14.736 1.00 53.20 O ATOM 1328 CB PHE A 614 3.995 -43.038 -13.081 1.00 45.12 C ATOM 1329 CG PHE A 614 5.501 -42.967 -13.078 1.00 74.54 C ATOM 1330 CD1 PHE A 614 6.165 -42.155 -12.139 1.00 41.13 C ATOM 1331 CD2 PHE A 614 6.263 -43.724 -13.984 1.00 70.31 C ATOM 1332 CE1 PHE A 614 7.572 -42.101 -12.087 1.00 40.41 C ATOM 1333 CE2 PHE A 614 7.679 -43.681 -13.947 1.00 21.32 C ATOM 1334 CZ PHE A 614 8.331 -42.869 -12.989 1.00 13.34 C ATOM 0 H PHE A 614 4.297 -42.115 -15.829 1.00 54.01 H new ATOM 0 HA PHE A 614 2.275 -41.944 -13.682 1.00 55.12 H new ATOM 0 HB2 PHE A 614 3.634 -42.907 -12.061 1.00 45.12 H new ATOM 0 HB3 PHE A 614 3.689 -44.034 -13.402 1.00 45.12 H new ATOM 0 HD1 PHE A 614 5.586 -41.563 -11.446 1.00 41.13 H new ATOM 0 HD2 PHE A 614 5.765 -44.344 -14.715 1.00 70.31 H new ATOM 0 HE1 PHE A 614 8.065 -41.474 -11.359 1.00 40.41 H new ATOM 0 HE2 PHE A 614 8.258 -44.265 -14.647 1.00 21.32 H new ATOM 0 HZ PHE A 614 9.410 -42.839 -12.950 1.00 13.34 H new ATOM 1344 N PHE A 615 3.784 -40.024 -12.681 1.00 75.23 N ATOM 1345 CA PHE A 615 4.379 -38.739 -12.397 1.00 43.34 C ATOM 1346 C PHE A 615 4.756 -38.725 -10.929 1.00 42.44 C ATOM 1347 O PHE A 615 4.393 -39.617 -10.201 1.00 41.24 O ATOM 1348 CB PHE A 615 3.409 -37.599 -12.720 1.00 25.40 C ATOM 1349 CG PHE A 615 1.978 -38.031 -12.891 1.00 30.40 C ATOM 1350 CD1 PHE A 615 1.514 -38.480 -14.139 1.00 73.41 C ATOM 1351 CD2 PHE A 615 1.073 -37.962 -11.819 1.00 23.15 C ATOM 1352 CE1 PHE A 615 0.170 -38.876 -14.313 1.00 32.45 C ATOM 1353 CE2 PHE A 615 -0.280 -38.351 -11.987 1.00 14.12 C ATOM 1354 CZ PHE A 615 -0.726 -38.813 -13.235 1.00 0.40 C ATOM 0 H PHE A 615 3.219 -40.401 -11.920 1.00 75.23 H new ATOM 0 HA PHE A 615 5.262 -38.588 -13.018 1.00 43.34 H new ATOM 0 HB2 PHE A 615 3.459 -36.858 -11.922 1.00 25.40 H new ATOM 0 HB3 PHE A 615 3.739 -37.106 -13.634 1.00 25.40 H new ATOM 0 HD1 PHE A 615 2.195 -38.523 -14.976 1.00 73.41 H new ATOM 0 HD2 PHE A 615 1.412 -37.609 -10.856 1.00 23.15 H new ATOM 0 HE1 PHE A 615 -0.169 -39.228 -15.276 1.00 32.45 H new ATOM 0 HE2 PHE A 615 -0.967 -38.292 -11.156 1.00 14.12 H new ATOM 0 HZ PHE A 615 -1.754 -39.118 -13.365 1.00 0.40 H new ATOM 1364 N ILE A 616 5.494 -37.724 -10.485 1.00 74.12 N ATOM 1365 CA ILE A 616 5.897 -37.641 -9.082 1.00 50.24 C ATOM 1366 C ILE A 616 5.513 -36.257 -8.630 1.00 32.50 C ATOM 1367 O ILE A 616 5.895 -35.283 -9.266 1.00 52.13 O ATOM 1368 CB ILE A 616 7.443 -37.783 -8.935 1.00 20.31 C ATOM 1369 CG1 ILE A 616 7.996 -38.922 -9.821 1.00 53.25 C ATOM 1370 CG2 ILE A 616 7.833 -38.023 -7.470 1.00 53.32 C ATOM 1371 CD1 ILE A 616 9.497 -38.893 -9.924 1.00 53.43 C ATOM 0 H ILE A 616 5.828 -36.957 -11.068 1.00 74.12 H new ATOM 0 HA ILE A 616 5.424 -38.433 -8.502 1.00 50.24 H new ATOM 0 HB ILE A 616 7.886 -36.845 -9.270 1.00 20.31 H new ATOM 0 HG12 ILE A 616 7.681 -39.882 -9.412 1.00 53.25 H new ATOM 0 HG13 ILE A 616 7.565 -38.844 -10.819 1.00 53.25 H new ATOM 0 HG21 ILE A 616 8.916 -38.119 -7.393 1.00 53.32 H new ATOM 0 HG22 ILE A 616 7.499 -37.182 -6.862 1.00 53.32 H new ATOM 0 HG23 ILE A 616 7.361 -38.939 -7.113 1.00 53.32 H new ATOM 0 HD11 ILE A 616 9.834 -39.714 -10.557 1.00 53.43 H new ATOM 0 HD12 ILE A 616 9.814 -37.945 -10.359 1.00 53.43 H new ATOM 0 HD13 ILE A 616 9.932 -38.999 -8.930 1.00 53.43 H new ATOM 1383 N ALA A 617 4.732 -36.159 -7.568 1.00 2.34 N ATOM 1384 CA ALA A 617 4.284 -34.860 -7.084 1.00 44.22 C ATOM 1385 C ALA A 617 4.924 -34.632 -5.720 1.00 63.21 C ATOM 1386 O ALA A 617 5.011 -35.566 -4.914 1.00 34.12 O ATOM 1387 CB ALA A 617 2.756 -34.834 -6.983 1.00 13.04 C ATOM 0 H ALA A 617 4.396 -36.955 -7.026 1.00 2.34 H new ATOM 0 HA ALA A 617 4.579 -34.067 -7.771 1.00 44.22 H new ATOM 0 HB1 ALA A 617 2.432 -33.859 -6.620 1.00 13.04 H new ATOM 0 HB2 ALA A 617 2.323 -35.018 -7.966 1.00 13.04 H new ATOM 0 HB3 ALA A 617 2.424 -35.607 -6.290 1.00 13.04 H new ATOM 1393 N LEU A 618 5.360 -33.412 -5.448 1.00 25.41 N ATOM 1394 CA LEU A 618 5.869 -33.091 -4.127 1.00 15.24 C ATOM 1395 C LEU A 618 4.664 -32.981 -3.208 1.00 54.00 C ATOM 1396 O LEU A 618 3.595 -32.568 -3.643 1.00 42.34 O ATOM 1397 CB LEU A 618 6.654 -31.766 -4.122 1.00 14.02 C ATOM 1398 CG LEU A 618 7.943 -31.662 -4.970 1.00 34.11 C ATOM 1399 CD1 LEU A 618 8.685 -32.971 -5.050 1.00 23.12 C ATOM 1400 CD2 LEU A 618 7.635 -31.097 -6.331 1.00 40.24 C ATOM 0 H LEU A 618 5.372 -32.639 -6.114 1.00 25.41 H new ATOM 0 HA LEU A 618 6.560 -33.867 -3.798 1.00 15.24 H new ATOM 0 HB2 LEU A 618 5.976 -30.979 -4.453 1.00 14.02 H new ATOM 0 HB3 LEU A 618 6.920 -31.543 -3.089 1.00 14.02 H new ATOM 0 HG LEU A 618 8.617 -30.970 -4.465 1.00 34.11 H new ATOM 0 HD11 LEU A 618 9.582 -32.844 -5.656 1.00 23.12 H new ATOM 0 HD12 LEU A 618 8.967 -33.291 -4.047 1.00 23.12 H new ATOM 0 HD13 LEU A 618 8.043 -33.726 -5.505 1.00 23.12 H new ATOM 0 HD21 LEU A 618 8.554 -31.031 -6.914 1.00 40.24 H new ATOM 0 HD22 LEU A 618 6.926 -31.748 -6.843 1.00 40.24 H new ATOM 0 HD23 LEU A 618 7.202 -30.103 -6.223 1.00 40.24 H new ATOM 1412 N GLY A 619 4.846 -33.338 -1.945 1.00 41.50 N ATOM 1413 CA GLY A 619 3.775 -33.229 -0.964 1.00 74.14 C ATOM 1414 C GLY A 619 3.462 -31.770 -0.723 1.00 22.20 C ATOM 1415 O GLY A 619 2.516 -31.203 -1.252 1.00 32.12 O ATOM 0 H GLY A 619 5.723 -33.705 -1.575 1.00 41.50 H new ATOM 0 HA2 GLY A 619 2.886 -33.749 -1.321 1.00 74.14 H new ATOM 0 HA3 GLY A 619 4.072 -33.708 -0.031 1.00 74.14 H new ATOM 1419 N GLU A 620 4.334 -31.143 0.047 1.00 62.40 N ATOM 1420 CA GLU A 620 4.286 -29.710 0.267 1.00 3.01 C ATOM 1421 C GLU A 620 5.656 -29.368 0.828 1.00 65.40 C ATOM 1422 O GLU A 620 6.177 -30.071 1.696 1.00 22.42 O ATOM 1423 CB GLU A 620 3.155 -29.292 1.239 1.00 75.42 C ATOM 1424 CG GLU A 620 3.457 -29.468 2.729 1.00 22.13 C ATOM 1425 CD GLU A 620 2.389 -28.880 3.631 1.00 2.15 C ATOM 1426 OE1 GLU A 620 2.187 -27.641 3.578 1.00 64.23 O ATOM 1427 OE2 GLU A 620 1.845 -29.616 4.474 1.00 55.12 O ATOM 0 H GLU A 620 5.095 -31.614 0.537 1.00 62.40 H new ATOM 0 HA GLU A 620 4.063 -29.172 -0.655 1.00 3.01 H new ATOM 0 HB2 GLU A 620 2.915 -28.244 1.058 1.00 75.42 H new ATOM 0 HB3 GLU A 620 2.263 -29.870 0.998 1.00 75.42 H new ATOM 0 HG2 GLU A 620 3.563 -30.530 2.948 1.00 22.13 H new ATOM 0 HG3 GLU A 620 4.414 -28.998 2.957 1.00 22.13 H new ATOM 1434 N PRO A 621 6.295 -28.326 0.304 1.00 25.40 N ATOM 1435 CA PRO A 621 7.566 -27.971 0.932 1.00 62.22 C ATOM 1436 C PRO A 621 7.314 -27.426 2.345 1.00 25.14 C ATOM 1437 O PRO A 621 6.302 -26.759 2.597 1.00 52.32 O ATOM 1438 CB PRO A 621 8.123 -26.925 -0.031 1.00 44.04 C ATOM 1439 CG PRO A 621 6.891 -26.309 -0.645 1.00 0.11 C ATOM 1440 CD PRO A 621 5.960 -27.435 -0.817 1.00 14.12 C ATOM 0 HA PRO A 621 8.261 -28.798 1.077 1.00 62.22 H new ATOM 0 HB2 PRO A 621 8.725 -26.181 0.491 1.00 44.04 H new ATOM 0 HB3 PRO A 621 8.763 -27.379 -0.788 1.00 44.04 H new ATOM 0 HG2 PRO A 621 6.468 -25.540 0.001 1.00 0.11 H new ATOM 0 HG3 PRO A 621 7.119 -25.834 -1.599 1.00 0.11 H new ATOM 0 HD2 PRO A 621 4.921 -27.108 -0.774 1.00 14.12 H new ATOM 0 HD3 PRO A 621 6.099 -27.929 -1.779 1.00 14.12 H new ATOM 1448 N LYS A 622 8.206 -27.735 3.279 1.00 64.13 N ATOM 1449 CA LYS A 622 8.061 -27.318 4.682 1.00 65.44 C ATOM 1450 C LYS A 622 9.384 -26.753 5.157 1.00 10.22 C ATOM 1451 O LYS A 622 10.416 -27.314 4.898 1.00 64.24 O ATOM 1452 CB LYS A 622 7.691 -28.526 5.552 1.00 41.53 C ATOM 1453 CG LYS A 622 6.327 -29.135 5.220 1.00 74.11 C ATOM 1454 CD LYS A 622 6.080 -30.461 5.937 1.00 32.24 C ATOM 1455 CE LYS A 622 6.952 -31.578 5.355 1.00 31.41 C ATOM 1456 NZ LYS A 622 6.644 -32.920 5.945 1.00 25.52 N ATOM 0 H LYS A 622 9.049 -28.279 3.094 1.00 64.13 H new ATOM 0 HA LYS A 622 7.275 -26.567 4.761 1.00 65.44 H new ATOM 0 HB2 LYS A 622 8.458 -29.292 5.437 1.00 41.53 H new ATOM 0 HB3 LYS A 622 7.697 -28.223 6.599 1.00 41.53 H new ATOM 0 HG2 LYS A 622 5.543 -28.429 5.492 1.00 74.11 H new ATOM 0 HG3 LYS A 622 6.256 -29.291 4.144 1.00 74.11 H new ATOM 0 HD2 LYS A 622 6.292 -30.347 7.000 1.00 32.24 H new ATOM 0 HD3 LYS A 622 5.028 -30.734 5.849 1.00 32.24 H new ATOM 0 HE2 LYS A 622 6.809 -31.619 4.275 1.00 31.41 H new ATOM 0 HE3 LYS A 622 8.002 -31.342 5.529 1.00 31.41 H new ATOM 0 HZ1 LYS A 622 7.377 -33.601 5.660 1.00 25.52 H new ATOM 0 HZ2 LYS A 622 6.624 -32.847 6.982 1.00 25.52 H new ATOM 0 HZ3 LYS A 622 5.717 -33.245 5.603 1.00 25.52 H new ATOM 1470 N TRP A 623 9.357 -25.654 5.879 1.00 1.43 N ATOM 1471 CA TRP A 623 10.585 -24.994 6.328 1.00 2.52 C ATOM 1472 C TRP A 623 11.064 -25.657 7.579 1.00 12.13 C ATOM 1473 O TRP A 623 10.455 -25.490 8.635 1.00 32.43 O ATOM 1474 CB TRP A 623 10.240 -23.560 6.653 1.00 3.41 C ATOM 1475 CG TRP A 623 11.326 -22.612 6.484 1.00 14.43 C ATOM 1476 CD1 TRP A 623 12.574 -22.806 5.979 1.00 44.12 C ATOM 1477 CD2 TRP A 623 11.269 -21.246 6.848 1.00 41.04 C ATOM 1478 NE1 TRP A 623 13.277 -21.642 5.955 1.00 71.14 N ATOM 1479 CE2 TRP A 623 12.501 -20.651 6.459 1.00 74.34 C ATOM 1480 CE3 TRP A 623 10.315 -20.469 7.507 1.00 34.24 C ATOM 1481 CZ2 TRP A 623 12.768 -19.289 6.650 1.00 41.23 C ATOM 1482 CZ3 TRP A 623 10.581 -19.150 7.762 1.00 75.33 C ATOM 1483 CH2 TRP A 623 11.804 -18.531 7.284 1.00 25.43 C ATOM 0 H TRP A 623 8.498 -25.189 6.174 1.00 1.43 H new ATOM 0 HA TRP A 623 11.355 -25.051 5.559 1.00 2.52 H new ATOM 0 HB2 TRP A 623 9.407 -23.251 6.022 1.00 3.41 H new ATOM 0 HB3 TRP A 623 9.893 -23.511 7.685 1.00 3.41 H new ATOM 0 HD1 TRP A 623 12.956 -23.758 5.642 1.00 44.12 H new ATOM 0 HE1 TRP A 623 14.232 -21.532 5.614 1.00 71.14 H new ATOM 0 HE3 TRP A 623 9.375 -20.904 7.813 1.00 34.24 H new ATOM 0 HZ2 TRP A 623 13.695 -18.848 6.313 1.00 41.23 H new ATOM 0 HZ3 TRP A 623 9.872 -18.563 8.326 1.00 75.33 H new ATOM 0 HH2 TRP A 623 11.961 -17.472 7.425 1.00 25.43 H new ATOM 1494 N MET A 624 12.179 -26.370 7.514 1.00 51.12 N ATOM 1495 CA MET A 624 12.787 -26.695 8.761 1.00 23.11 C ATOM 1496 C MET A 624 14.222 -26.240 8.878 1.00 33.55 C ATOM 1497 O MET A 624 15.174 -26.989 9.071 1.00 52.23 O ATOM 1498 CB MET A 624 13.010 -28.152 8.602 1.00 12.15 C ATOM 1499 CG MET A 624 11.840 -29.033 8.202 1.00 40.11 C ATOM 1500 SD MET A 624 10.666 -29.347 9.496 1.00 60.14 S ATOM 1501 CE MET A 624 9.895 -30.766 8.768 1.00 62.52 C ATOM 0 H MET A 624 12.642 -26.707 6.670 1.00 51.12 H new ATOM 0 HA MET A 624 12.183 -26.289 9.572 1.00 23.11 H new ATOM 0 HB2 MET A 624 13.794 -28.286 7.857 1.00 12.15 H new ATOM 0 HB3 MET A 624 13.400 -28.531 9.547 1.00 12.15 H new ATOM 0 HG2 MET A 624 11.321 -28.565 7.366 1.00 40.11 H new ATOM 0 HG3 MET A 624 12.228 -29.987 7.843 1.00 40.11 H new ATOM 0 HE1 MET A 624 9.110 -31.133 9.429 1.00 62.52 H new ATOM 0 HE2 MET A 624 9.461 -30.491 7.807 1.00 62.52 H new ATOM 0 HE3 MET A 624 10.639 -31.548 8.619 1.00 62.52 H new ATOM 1511 N GLU A 625 14.249 -24.998 9.200 1.00 74.44 N ATOM 1512 CA GLU A 625 15.212 -24.332 10.022 1.00 53.14 C ATOM 1513 C GLU A 625 14.395 -23.201 10.573 1.00 40.45 C ATOM 1514 O GLU A 625 14.754 -22.169 10.172 1.00 4.22 O ATOM 1515 CB GLU A 625 16.187 -23.803 8.969 1.00 4.21 C ATOM 1516 CG GLU A 625 17.328 -22.882 9.345 1.00 1.23 C ATOM 1517 CD GLU A 625 18.660 -23.364 8.779 1.00 24.01 C ATOM 1518 OE1 GLU A 625 19.074 -24.508 9.073 1.00 31.44 O ATOM 1519 OE2 GLU A 625 19.265 -22.635 7.967 1.00 22.02 O ATOM 0 H GLU A 625 13.531 -24.355 8.866 1.00 74.44 H new ATOM 0 HA GLU A 625 15.721 -24.889 10.808 1.00 53.14 H new ATOM 0 HB2 GLU A 625 16.628 -24.671 8.480 1.00 4.21 H new ATOM 0 HB3 GLU A 625 15.592 -23.282 8.219 1.00 4.21 H new ATOM 0 HG2 GLU A 625 17.120 -21.877 8.977 1.00 1.23 H new ATOM 0 HG3 GLU A 625 17.398 -22.816 10.431 1.00 1.23 H new ATOM 1526 N ARG A 626 13.630 -23.224 11.651 1.00 1.44 N ATOM 1527 CA ARG A 626 12.858 -21.996 12.103 1.00 43.42 C ATOM 1528 C ARG A 626 11.853 -22.438 13.141 1.00 44.33 C ATOM 1529 O ARG A 626 11.825 -21.920 14.241 1.00 74.51 O ATOM 1530 CB ARG A 626 12.007 -21.164 10.996 1.00 20.55 C ATOM 1531 CG ARG A 626 12.728 -20.454 9.878 1.00 14.13 C ATOM 1532 CD ARG A 626 13.732 -19.391 10.357 1.00 24.50 C ATOM 1533 NE ARG A 626 13.179 -18.038 10.163 1.00 63.13 N ATOM 1534 CZ ARG A 626 12.495 -17.339 11.064 1.00 54.34 C ATOM 1535 NH1 ARG A 626 12.250 -17.776 12.271 1.00 0.01 N ATOM 1536 NH2 ARG A 626 12.046 -16.165 10.729 1.00 24.44 N ATOM 0 H ARG A 626 13.504 -24.044 12.244 1.00 1.44 H new ATOM 0 HA ARG A 626 13.642 -21.317 12.439 1.00 43.42 H new ATOM 0 HB2 ARG A 626 11.301 -21.858 10.539 1.00 20.55 H new ATOM 0 HB3 ARG A 626 11.420 -20.417 11.531 1.00 20.55 H new ATOM 0 HG2 ARG A 626 13.256 -21.192 9.274 1.00 14.13 H new ATOM 0 HG3 ARG A 626 11.992 -19.978 9.229 1.00 14.13 H new ATOM 0 HD2 ARG A 626 13.963 -19.549 11.410 1.00 24.50 H new ATOM 0 HD3 ARG A 626 14.668 -19.491 9.807 1.00 24.50 H new ATOM 0 HE ARG A 626 13.335 -17.599 9.256 1.00 63.13 H new ATOM 0 HH11 ARG A 626 12.589 -18.694 12.560 1.00 0.01 H new ATOM 0 HH12 ARG A 626 11.720 -17.199 12.924 1.00 0.01 H new ATOM 0 HH21 ARG A 626 12.221 -15.800 9.793 1.00 24.44 H new ATOM 0 HH22 ARG A 626 11.519 -15.609 11.402 1.00 24.44 H new ATOM 1916 N GLY A 650 7.028 -18.090 7.052 1.00 30.21 N ATOM 1917 CA GLY A 650 7.948 -18.303 5.938 1.00 50.30 C ATOM 1918 C GLY A 650 7.517 -19.326 4.908 1.00 13.04 C ATOM 1919 O GLY A 650 8.347 -19.815 4.152 1.00 33.12 O ATOM 0 HA2 GLY A 650 8.102 -17.350 5.432 1.00 50.30 H new ATOM 0 HA3 GLY A 650 8.913 -18.608 6.343 1.00 50.30 H new ATOM 1923 N LYS A 651 6.258 -19.732 4.958 1.00 72.10 N ATOM 1924 CA LYS A 651 5.821 -20.980 4.326 1.00 15.42 C ATOM 1925 C LYS A 651 6.091 -21.053 2.825 1.00 42.24 C ATOM 1926 O LYS A 651 5.563 -20.253 2.051 1.00 32.42 O ATOM 1927 CB LYS A 651 4.320 -21.177 4.565 1.00 53.42 C ATOM 1928 CG LYS A 651 3.957 -22.364 5.470 1.00 12.43 C ATOM 1929 CD LYS A 651 3.279 -23.516 4.694 1.00 0.33 C ATOM 1930 CE LYS A 651 4.298 -24.359 3.927 1.00 5.24 C ATOM 1931 NZ LYS A 651 3.680 -25.374 3.011 1.00 33.03 N ATOM 0 H LYS A 651 5.514 -19.218 5.430 1.00 72.10 H new ATOM 0 HA LYS A 651 6.411 -21.770 4.789 1.00 15.42 H new ATOM 0 HB2 LYS A 651 3.915 -20.266 5.006 1.00 53.42 H new ATOM 0 HB3 LYS A 651 3.828 -21.311 3.601 1.00 53.42 H new ATOM 0 HG2 LYS A 651 4.860 -22.738 5.953 1.00 12.43 H new ATOM 0 HG3 LYS A 651 3.290 -22.022 6.262 1.00 12.43 H new ATOM 0 HD2 LYS A 651 2.732 -24.151 5.391 1.00 0.33 H new ATOM 0 HD3 LYS A 651 2.549 -23.105 3.997 1.00 0.33 H new ATOM 0 HE2 LYS A 651 4.936 -23.697 3.342 1.00 5.24 H new ATOM 0 HE3 LYS A 651 4.941 -24.873 4.641 1.00 5.24 H new ATOM 0 HZ1 LYS A 651 4.430 -25.929 2.552 1.00 33.03 H new ATOM 0 HZ2 LYS A 651 3.066 -26.009 3.560 1.00 33.03 H new ATOM 0 HZ3 LYS A 651 3.115 -24.888 2.285 1.00 33.03 H new ATOM 1945 N PRO A 652 6.904 -22.038 2.391 1.00 40.34 N ATOM 1946 CA PRO A 652 7.113 -22.187 0.950 1.00 74.43 C ATOM 1947 C PRO A 652 5.895 -22.752 0.259 1.00 41.14 C ATOM 1948 O PRO A 652 5.005 -23.332 0.890 1.00 72.22 O ATOM 1949 CB PRO A 652 8.260 -23.186 0.864 1.00 74.43 C ATOM 1950 CG PRO A 652 8.149 -23.975 2.092 1.00 51.20 C ATOM 1951 CD PRO A 652 7.653 -23.061 3.148 1.00 23.32 C ATOM 0 HA PRO A 652 7.315 -21.232 0.466 1.00 74.43 H new ATOM 0 HB2 PRO A 652 8.173 -23.815 -0.022 1.00 74.43 H new ATOM 0 HB3 PRO A 652 9.224 -22.680 0.802 1.00 74.43 H new ATOM 0 HG2 PRO A 652 7.464 -24.812 1.953 1.00 51.20 H new ATOM 0 HG3 PRO A 652 9.115 -24.396 2.369 1.00 51.20 H new ATOM 0 HD2 PRO A 652 7.014 -23.581 3.862 1.00 23.32 H new ATOM 0 HD3 PRO A 652 8.473 -22.621 3.716 1.00 23.32 H new ATOM 1959 N VAL A 653 5.882 -22.598 -1.049 1.00 4.33 N ATOM 1960 CA VAL A 653 4.773 -23.075 -1.881 1.00 13.33 C ATOM 1961 C VAL A 653 5.286 -23.806 -3.120 1.00 11.21 C ATOM 1962 O VAL A 653 6.477 -23.755 -3.443 1.00 23.23 O ATOM 1963 CB VAL A 653 3.829 -21.899 -2.314 1.00 10.33 C ATOM 1964 CG1 VAL A 653 3.180 -21.244 -1.081 1.00 2.30 C ATOM 1965 CG2 VAL A 653 4.585 -20.846 -3.120 1.00 22.10 C ATOM 0 H VAL A 653 6.630 -22.143 -1.572 1.00 4.33 H new ATOM 0 HA VAL A 653 4.198 -23.773 -1.272 1.00 13.33 H new ATOM 0 HB VAL A 653 3.049 -22.321 -2.948 1.00 10.33 H new ATOM 0 HG11 VAL A 653 2.529 -20.431 -1.401 1.00 2.30 H new ATOM 0 HG12 VAL A 653 2.593 -21.987 -0.541 1.00 2.30 H new ATOM 0 HG13 VAL A 653 3.958 -20.850 -0.427 1.00 2.30 H new ATOM 0 HG21 VAL A 653 3.902 -20.046 -3.404 1.00 22.10 H new ATOM 0 HG22 VAL A 653 5.393 -20.435 -2.515 1.00 22.10 H new ATOM 0 HG23 VAL A 653 5.001 -21.304 -4.018 1.00 22.10 H new ATOM 1975 N LEU A 654 4.388 -24.505 -3.796 1.00 34.13 N ATOM 1976 CA LEU A 654 4.719 -25.240 -5.011 1.00 51.05 C ATOM 1977 C LEU A 654 4.775 -24.261 -6.186 1.00 32.25 C ATOM 1978 O LEU A 654 4.172 -23.194 -6.142 1.00 13.34 O ATOM 1979 CB LEU A 654 3.659 -26.325 -5.298 1.00 51.20 C ATOM 1980 CG LEU A 654 3.548 -27.562 -4.375 1.00 41.51 C ATOM 1981 CD1 LEU A 654 4.898 -28.261 -4.231 1.00 71.23 C ATOM 1982 CD2 LEU A 654 2.964 -27.247 -2.995 1.00 11.50 C ATOM 0 H LEU A 654 3.409 -24.580 -3.520 1.00 34.13 H new ATOM 0 HA LEU A 654 5.686 -25.726 -4.878 1.00 51.05 H new ATOM 0 HB2 LEU A 654 2.686 -25.834 -5.301 1.00 51.20 H new ATOM 0 HB3 LEU A 654 3.835 -26.690 -6.310 1.00 51.20 H new ATOM 0 HG LEU A 654 2.843 -28.234 -4.865 1.00 41.51 H new ATOM 0 HD11 LEU A 654 4.792 -29.127 -3.577 1.00 71.23 H new ATOM 0 HD12 LEU A 654 5.245 -28.587 -5.211 1.00 71.23 H new ATOM 0 HD13 LEU A 654 5.622 -27.569 -3.801 1.00 71.23 H new ATOM 0 HD21 LEU A 654 2.916 -28.161 -2.403 1.00 11.50 H new ATOM 0 HD22 LEU A 654 3.599 -26.520 -2.489 1.00 11.50 H new ATOM 0 HD23 LEU A 654 1.961 -26.836 -3.110 1.00 11.50 H new ATOM 1994 N GLY A 655 5.526 -24.631 -7.212 1.00 54.33 N ATOM 1995 CA GLY A 655 5.691 -23.789 -8.392 1.00 24.13 C ATOM 1996 C GLY A 655 4.799 -24.116 -9.565 1.00 13.54 C ATOM 1997 O GLY A 655 3.744 -24.709 -9.423 1.00 44.12 O ATOM 0 H GLY A 655 6.035 -25.514 -7.253 1.00 54.33 H new ATOM 0 HA2 GLY A 655 5.514 -22.753 -8.103 1.00 24.13 H new ATOM 0 HA3 GLY A 655 6.728 -23.855 -8.720 1.00 24.13 H new ATOM 2001 N GLU A 656 5.261 -23.712 -10.739 1.00 63.41 N ATOM 2002 CA GLU A 656 4.534 -23.924 -11.995 1.00 23.03 C ATOM 2003 C GLU A 656 4.548 -25.386 -12.446 1.00 13.34 C ATOM 2004 O GLU A 656 3.562 -25.888 -12.968 1.00 44.33 O ATOM 2005 CB GLU A 656 5.206 -23.121 -13.102 1.00 22.04 C ATOM 2006 CG GLU A 656 5.205 -21.620 -12.939 1.00 25.13 C ATOM 2007 CD GLU A 656 6.021 -20.952 -14.043 1.00 53.15 C ATOM 2008 OE1 GLU A 656 6.479 -21.668 -14.974 1.00 50.43 O ATOM 2009 OE2 GLU A 656 6.261 -19.731 -13.948 1.00 62.22 O ATOM 0 H GLU A 656 6.151 -23.227 -10.854 1.00 63.41 H new ATOM 0 HA GLU A 656 3.504 -23.615 -11.816 1.00 23.03 H new ATOM 0 HB2 GLU A 656 6.240 -23.455 -13.186 1.00 22.04 H new ATOM 0 HB3 GLU A 656 4.715 -23.362 -14.045 1.00 22.04 H new ATOM 0 HG2 GLU A 656 4.181 -21.248 -12.963 1.00 25.13 H new ATOM 0 HG3 GLU A 656 5.618 -21.356 -11.965 1.00 25.13 H new ATOM 2016 N HIS A 657 5.685 -26.055 -12.274 1.00 30.32 N ATOM 2017 CA HIS A 657 5.844 -27.451 -12.721 1.00 21.14 C ATOM 2018 C HIS A 657 6.360 -28.344 -11.585 1.00 62.33 C ATOM 2019 O HIS A 657 7.446 -28.887 -11.672 1.00 14.42 O ATOM 2020 CB HIS A 657 6.824 -27.518 -13.920 1.00 60.10 C ATOM 2021 CG HIS A 657 6.655 -26.400 -14.905 1.00 15.21 C ATOM 2022 ND1 HIS A 657 5.950 -26.508 -16.111 1.00 25.55 N ATOM 2023 CD2 HIS A 657 7.104 -25.116 -14.887 1.00 23.13 C ATOM 2024 CE1 HIS A 657 5.977 -25.331 -16.725 1.00 74.24 C ATOM 2025 NE2 HIS A 657 6.657 -24.481 -16.001 1.00 44.32 N ATOM 0 H HIS A 657 6.514 -25.660 -11.829 1.00 30.32 H new ATOM 0 HA HIS A 657 4.864 -27.817 -13.028 1.00 21.14 H new ATOM 0 HB2 HIS A 657 7.846 -27.505 -13.542 1.00 60.10 H new ATOM 0 HB3 HIS A 657 6.687 -28.468 -14.436 1.00 60.10 H new ATOM 0 HD1 HIS A 657 5.492 -27.350 -16.459 1.00 25.55 H new ATOM 0 HD2 HIS A 657 7.715 -24.674 -14.114 1.00 23.13 H new ATOM 0 HE1 HIS A 657 5.510 -25.110 -17.674 1.00 74.24 H new ATOM 0 HE2 HIS A 657 6.824 -23.502 -16.234 1.00 44.32 H new ATOM 2033 N PRO A 658 5.603 -28.488 -10.484 1.00 54.33 N ATOM 2034 CA PRO A 658 6.044 -29.311 -9.349 1.00 65.23 C ATOM 2035 C PRO A 658 5.811 -30.810 -9.567 1.00 2.21 C ATOM 2036 O PRO A 658 5.483 -31.554 -8.641 1.00 40.41 O ATOM 2037 CB PRO A 658 5.176 -28.780 -8.219 1.00 23.15 C ATOM 2038 CG PRO A 658 3.907 -28.451 -8.890 1.00 72.44 C ATOM 2039 CD PRO A 658 4.295 -27.871 -10.202 1.00 11.32 C ATOM 0 HA PRO A 658 7.117 -29.239 -9.169 1.00 65.23 H new ATOM 0 HB2 PRO A 658 5.035 -29.525 -7.436 1.00 23.15 H new ATOM 0 HB3 PRO A 658 5.621 -27.903 -7.748 1.00 23.15 H new ATOM 0 HG2 PRO A 658 3.289 -29.340 -9.020 1.00 72.44 H new ATOM 0 HG3 PRO A 658 3.324 -27.741 -8.303 1.00 72.44 H new ATOM 0 HD2 PRO A 658 3.565 -28.108 -10.976 1.00 11.32 H new ATOM 0 HD3 PRO A 658 4.367 -26.784 -10.154 1.00 11.32 H new ATOM 2047 N LYS A 659 5.907 -31.226 -10.816 1.00 23.35 N ATOM 2048 CA LYS A 659 5.648 -32.596 -11.212 1.00 24.45 C ATOM 2049 C LYS A 659 6.293 -32.837 -12.550 1.00 2.21 C ATOM 2050 O LYS A 659 6.416 -31.908 -13.334 1.00 10.34 O ATOM 2051 CB LYS A 659 4.150 -32.779 -11.346 1.00 42.11 C ATOM 2052 CG LYS A 659 3.719 -34.217 -11.556 1.00 22.33 C ATOM 2053 CD LYS A 659 2.445 -34.526 -10.804 1.00 11.24 C ATOM 2054 CE LYS A 659 1.262 -33.894 -11.460 1.00 31.13 C ATOM 2055 NZ LYS A 659 0.943 -34.510 -12.825 1.00 13.44 N ATOM 0 H LYS A 659 6.169 -30.616 -11.590 1.00 23.35 H new ATOM 0 HA LYS A 659 6.047 -33.292 -10.474 1.00 24.45 H new ATOM 0 HB2 LYS A 659 3.666 -32.393 -10.449 1.00 42.11 H new ATOM 0 HB3 LYS A 659 3.795 -32.178 -12.183 1.00 42.11 H new ATOM 0 HG2 LYS A 659 3.569 -34.402 -12.620 1.00 22.33 H new ATOM 0 HG3 LYS A 659 4.511 -34.888 -11.224 1.00 22.33 H new ATOM 0 HD2 LYS A 659 2.302 -35.605 -10.754 1.00 11.24 H new ATOM 0 HD3 LYS A 659 2.529 -34.168 -9.778 1.00 11.24 H new ATOM 0 HE2 LYS A 659 0.394 -33.995 -10.809 1.00 31.13 H new ATOM 0 HE3 LYS A 659 1.447 -32.827 -11.582 1.00 31.13 H new ATOM 0 HZ1 LYS A 659 -0.036 -34.281 -13.089 1.00 13.44 H new ATOM 0 HZ2 LYS A 659 1.593 -34.126 -13.540 1.00 13.44 H new ATOM 0 HZ3 LYS A 659 1.055 -35.543 -12.775 1.00 13.44 H new ATOM 2069 N LEU A 660 6.666 -34.079 -12.808 1.00 12.11 N ATOM 2070 CA LEU A 660 7.245 -34.476 -14.083 1.00 44.03 C ATOM 2071 C LEU A 660 6.472 -35.714 -14.547 1.00 23.24 C ATOM 2072 O LEU A 660 6.422 -36.692 -13.811 1.00 3.32 O ATOM 2073 CB LEU A 660 8.739 -34.806 -13.881 1.00 21.12 C ATOM 2074 CG LEU A 660 9.754 -34.563 -15.015 1.00 44.03 C ATOM 2075 CD1 LEU A 660 10.867 -35.601 -14.971 1.00 73.32 C ATOM 2076 CD2 LEU A 660 9.122 -34.535 -16.369 1.00 42.33 C ATOM 0 H LEU A 660 6.576 -34.843 -12.138 1.00 12.11 H new ATOM 0 HA LEU A 660 7.176 -33.683 -14.828 1.00 44.03 H new ATOM 0 HB2 LEU A 660 9.080 -34.237 -13.016 1.00 21.12 H new ATOM 0 HB3 LEU A 660 8.802 -35.861 -13.613 1.00 21.12 H new ATOM 0 HG LEU A 660 10.177 -33.573 -14.845 1.00 44.03 H new ATOM 0 HD11 LEU A 660 11.573 -35.412 -15.780 1.00 73.32 H new ATOM 0 HD12 LEU A 660 11.386 -35.538 -14.014 1.00 73.32 H new ATOM 0 HD13 LEU A 660 10.440 -36.597 -15.087 1.00 73.32 H new ATOM 0 HD21 LEU A 660 9.888 -34.360 -17.125 1.00 42.33 H new ATOM 0 HD22 LEU A 660 8.633 -35.490 -16.562 1.00 42.33 H new ATOM 0 HD23 LEU A 660 8.383 -33.734 -16.409 1.00 42.33 H new ATOM 2088 N GLU A 661 5.830 -35.654 -15.707 1.00 31.40 N ATOM 2089 CA GLU A 661 5.070 -36.790 -16.255 1.00 23.25 C ATOM 2090 C GLU A 661 6.004 -37.658 -17.076 1.00 15.22 C ATOM 2091 O GLU A 661 6.716 -37.147 -17.925 1.00 3.51 O ATOM 2092 CB GLU A 661 3.936 -36.277 -17.139 1.00 43.22 C ATOM 2093 CG GLU A 661 3.019 -37.356 -17.661 1.00 14.21 C ATOM 2094 CD GLU A 661 1.588 -36.855 -17.763 1.00 2.42 C ATOM 2095 OE1 GLU A 661 1.330 -35.884 -18.503 1.00 65.23 O ATOM 2096 OE2 GLU A 661 0.737 -37.368 -17.002 1.00 43.52 O ATOM 0 H GLU A 661 5.816 -34.823 -16.299 1.00 31.40 H new ATOM 0 HA GLU A 661 4.645 -37.374 -15.438 1.00 23.25 H new ATOM 0 HB2 GLU A 661 3.345 -35.558 -16.571 1.00 43.22 H new ATOM 0 HB3 GLU A 661 4.365 -35.740 -17.985 1.00 43.22 H new ATOM 0 HG2 GLU A 661 3.363 -37.687 -18.641 1.00 14.21 H new ATOM 0 HG3 GLU A 661 3.058 -38.222 -17.000 1.00 14.21 H new ATOM 2103 N VAL A 662 6.038 -38.945 -16.773 1.00 42.02 N ATOM 2104 CA VAL A 662 7.008 -39.882 -17.343 1.00 13.03 C ATOM 2105 C VAL A 662 6.267 -41.022 -17.997 1.00 2.54 C ATOM 2106 O VAL A 662 5.452 -41.686 -17.371 1.00 55.53 O ATOM 2107 CB VAL A 662 7.908 -40.503 -16.232 1.00 71.20 C ATOM 2108 CG1 VAL A 662 9.135 -41.204 -16.758 1.00 70.52 C ATOM 2109 CG2 VAL A 662 8.127 -39.575 -15.011 1.00 71.02 C ATOM 0 H VAL A 662 5.388 -39.379 -16.118 1.00 42.02 H new ATOM 0 HA VAL A 662 7.623 -39.333 -18.056 1.00 13.03 H new ATOM 0 HB VAL A 662 7.326 -41.323 -15.811 1.00 71.20 H new ATOM 0 HG11 VAL A 662 9.708 -41.609 -15.924 1.00 70.52 H new ATOM 0 HG12 VAL A 662 8.834 -42.016 -17.420 1.00 70.52 H new ATOM 0 HG13 VAL A 662 9.750 -40.494 -17.311 1.00 70.52 H new ATOM 0 HG21 VAL A 662 8.763 -40.077 -14.282 1.00 71.02 H new ATOM 0 HG22 VAL A 662 8.607 -38.652 -15.337 1.00 71.02 H new ATOM 0 HG23 VAL A 662 7.165 -39.342 -14.554 1.00 71.02 H new ATOM 2119 N ILE A 663 6.602 -41.257 -19.251 1.00 32.03 N ATOM 2120 CA ILE A 663 6.041 -42.355 -20.019 1.00 24.33 C ATOM 2121 C ILE A 663 7.135 -43.395 -20.054 1.00 72.32 C ATOM 2122 O ILE A 663 8.294 -43.057 -20.304 1.00 35.14 O ATOM 2123 CB ILE A 663 5.717 -41.911 -21.473 1.00 5.00 C ATOM 2124 CG1 ILE A 663 4.564 -40.886 -21.473 1.00 50.24 C ATOM 2125 CG2 ILE A 663 5.416 -43.126 -22.376 1.00 2.05 C ATOM 2126 CD1 ILE A 663 3.150 -41.478 -21.663 1.00 23.03 C ATOM 0 H ILE A 663 7.273 -40.690 -19.769 1.00 32.03 H new ATOM 0 HA ILE A 663 5.113 -42.718 -19.577 1.00 24.33 H new ATOM 0 HB ILE A 663 6.596 -41.422 -21.893 1.00 5.00 H new ATOM 0 HG12 ILE A 663 4.587 -40.339 -20.530 1.00 50.24 H new ATOM 0 HG13 ILE A 663 4.745 -40.161 -22.266 1.00 50.24 H new ATOM 0 HG21 ILE A 663 5.193 -42.782 -23.386 1.00 2.05 H new ATOM 0 HG22 ILE A 663 6.284 -43.785 -22.400 1.00 2.05 H new ATOM 0 HG23 ILE A 663 4.558 -43.670 -21.980 1.00 2.05 H new ATOM 0 HD11 ILE A 663 2.414 -40.674 -21.648 1.00 23.03 H new ATOM 0 HD12 ILE A 663 3.099 -41.999 -22.619 1.00 23.03 H new ATOM 0 HD13 ILE A 663 2.938 -42.180 -20.856 1.00 23.03 H new ATOM 2138 N ILE A 664 6.778 -44.643 -19.814 1.00 4.21 N ATOM 2139 CA ILE A 664 7.723 -45.748 -19.957 1.00 2.04 C ATOM 2140 C ILE A 664 7.538 -46.265 -21.394 1.00 50.13 C ATOM 2141 O ILE A 664 6.431 -46.610 -21.806 1.00 5.33 O ATOM 2142 CB ILE A 664 7.494 -46.825 -18.858 1.00 54.31 C ATOM 2143 CG1 ILE A 664 7.681 -46.152 -17.473 1.00 10.41 C ATOM 2144 CG2 ILE A 664 8.497 -48.004 -19.033 1.00 32.42 C ATOM 2145 CD1 ILE A 664 7.253 -46.963 -16.270 1.00 13.45 C ATOM 0 H ILE A 664 5.842 -44.922 -19.519 1.00 4.21 H new ATOM 0 HA ILE A 664 8.758 -45.440 -19.810 1.00 2.04 H new ATOM 0 HB ILE A 664 6.487 -47.233 -18.940 1.00 54.31 H new ATOM 0 HG12 ILE A 664 8.734 -45.897 -17.356 1.00 10.41 H new ATOM 0 HG13 ILE A 664 7.124 -45.215 -17.470 1.00 10.41 H new ATOM 0 HG21 ILE A 664 8.323 -48.748 -18.256 1.00 32.42 H new ATOM 0 HG22 ILE A 664 8.354 -48.461 -20.012 1.00 32.42 H new ATOM 0 HG23 ILE A 664 9.517 -47.629 -18.954 1.00 32.42 H new ATOM 0 HD11 ILE A 664 7.432 -46.388 -15.361 1.00 13.45 H new ATOM 0 HD12 ILE A 664 6.191 -47.197 -16.348 1.00 13.45 H new ATOM 0 HD13 ILE A 664 7.827 -47.889 -16.233 1.00 13.45 H new