USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=22 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 533 THR OG1 : rot -129:sc= 0.486 USER MOD Set 1.2: A 657 HIS :FLIP no HD1:sc= -0.34 F(o=-1.1,f=0.15) USER MOD Single : A 536 CYS SG : rot 180:sc= 0 USER MOD Single : A 538 THR OG1 : rot 180:sc= -0.0282 USER MOD Single : A 540 HIS : no HD1:sc= -0.472 X(o=-0.47,f=-0.29) USER MOD Single : A 542 SER OG : rot 180:sc= 0 USER MOD Single : A 544 SER OG : rot -56:sc= 0.715 USER MOD Single : A 548 MET CE :methyl 141:sc= -1.2 (180deg=-4.53!) USER MOD Single : A 551 LYS NZ :NH3+ 142:sc= 1.08 (180deg=0.203) USER MOD Single : A 555 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 556 SER OG : rot 180:sc= 0 USER MOD Single : A 561 THR OG1 : rot 68:sc= 1.24 USER MOD Single : A 568 THR OG1 : rot -150:sc= 0.562 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ 135:sc= 0.193 (180deg=-2.73!) USER MOD Single : A 584 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ 179:sc= 1.38 (180deg=1.37) USER MOD Single : A 591 ASN : amide:sc= 0.413 X(o=0.41,f=0) USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 596 LYS NZ :NH3+ 178:sc= 0.778 (180deg=0.744) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 601 LYS NZ :NH3+ -173:sc= 0.964 (180deg=0.842) USER MOD Single : A 613 ASN : amide:sc= -0.894 K(o=-0.89,f=-6.1!) USER MOD Single : A 622 LYS NZ :NH3+ -167:sc= 1.2 (180deg=1.06) USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 659 LYS NZ :NH3+ 164:sc= -0.0177 (180deg=-0.229) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 529 10.962 -18.734 2.413 1.00 23.13 N ATOM 19 CA ALA A 529 11.365 -19.933 1.695 1.00 64.14 C ATOM 20 C ALA A 529 10.914 -19.808 0.235 1.00 33.14 C ATOM 21 O ALA A 529 9.912 -19.162 -0.057 1.00 71.21 O ATOM 22 CB ALA A 529 10.761 -21.128 2.335 1.00 32.53 C ATOM 0 HA ALA A 529 12.449 -20.045 1.725 1.00 64.14 H new ATOM 0 HB1 ALA A 529 11.066 -22.024 1.794 1.00 32.53 H new ATOM 0 HB2 ALA A 529 11.098 -21.197 3.369 1.00 32.53 H new ATOM 0 HB3 ALA A 529 9.675 -21.043 2.313 1.00 32.53 H new ATOM 28 N GLY A 530 11.672 -20.403 -0.675 1.00 42.11 N ATOM 29 CA GLY A 530 11.386 -20.260 -2.091 1.00 21.32 C ATOM 30 C GLY A 530 10.423 -21.269 -2.690 1.00 30.45 C ATOM 31 O GLY A 530 10.132 -22.305 -2.103 1.00 1.53 O ATOM 0 H GLY A 530 12.482 -20.984 -0.459 1.00 42.11 H new ATOM 0 HA2 GLY A 530 10.983 -19.261 -2.259 1.00 21.32 H new ATOM 0 HA3 GLY A 530 12.327 -20.320 -2.637 1.00 21.32 H new ATOM 35 N ILE A 531 9.969 -20.949 -3.894 1.00 51.15 N ATOM 36 CA ILE A 531 9.093 -21.806 -4.696 1.00 35.22 C ATOM 37 C ILE A 531 9.863 -23.052 -5.114 1.00 14.24 C ATOM 38 O ILE A 531 11.034 -22.938 -5.472 1.00 74.31 O ATOM 39 CB ILE A 531 8.625 -21.026 -5.992 1.00 53.04 C ATOM 40 CG1 ILE A 531 7.330 -20.242 -5.709 1.00 73.34 C ATOM 41 CG2 ILE A 531 8.381 -21.960 -7.180 1.00 74.15 C ATOM 42 CD1 ILE A 531 7.507 -18.981 -4.845 1.00 43.11 C ATOM 0 H ILE A 531 10.202 -20.069 -4.354 1.00 51.15 H new ATOM 0 HA ILE A 531 8.220 -22.087 -4.107 1.00 35.22 H new ATOM 0 HB ILE A 531 9.435 -20.344 -6.252 1.00 53.04 H new ATOM 0 HG12 ILE A 531 6.884 -19.952 -6.660 1.00 73.34 H new ATOM 0 HG13 ILE A 531 6.622 -20.907 -5.214 1.00 73.34 H new ATOM 0 HG21 ILE A 531 8.062 -21.375 -8.043 1.00 74.15 H new ATOM 0 HG22 ILE A 531 9.302 -22.490 -7.421 1.00 74.15 H new ATOM 0 HG23 ILE A 531 7.605 -22.681 -6.923 1.00 74.15 H new ATOM 0 HD11 ILE A 531 6.540 -18.499 -4.702 1.00 43.11 H new ATOM 0 HD12 ILE A 531 7.921 -19.259 -3.876 1.00 43.11 H new ATOM 0 HD13 ILE A 531 8.186 -18.290 -5.344 1.00 43.11 H new ATOM 54 N PHE A 532 9.201 -24.208 -5.122 1.00 24.24 N ATOM 55 CA PHE A 532 9.791 -25.459 -5.623 1.00 20.15 C ATOM 56 C PHE A 532 9.096 -25.923 -6.881 1.00 3.24 C ATOM 57 O PHE A 532 7.876 -25.867 -6.977 1.00 54.42 O ATOM 58 CB PHE A 532 9.646 -26.569 -4.607 1.00 24.24 C ATOM 59 CG PHE A 532 10.485 -26.375 -3.405 1.00 15.22 C ATOM 60 CD1 PHE A 532 10.033 -25.591 -2.334 1.00 15.50 C ATOM 61 CD2 PHE A 532 11.758 -26.960 -3.340 1.00 2.53 C ATOM 62 CE1 PHE A 532 10.837 -25.401 -1.206 1.00 13.43 C ATOM 63 CE2 PHE A 532 12.566 -26.777 -2.217 1.00 70.50 C ATOM 64 CZ PHE A 532 12.110 -26.006 -1.144 1.00 30.33 C ATOM 0 H PHE A 532 8.244 -24.309 -4.784 1.00 24.24 H new ATOM 0 HA PHE A 532 10.842 -25.249 -5.820 1.00 20.15 H new ATOM 0 HB2 PHE A 532 8.601 -26.641 -4.305 1.00 24.24 H new ATOM 0 HB3 PHE A 532 9.908 -27.518 -5.076 1.00 24.24 H new ATOM 0 HD1 PHE A 532 9.057 -25.131 -2.381 1.00 15.50 H new ATOM 0 HD2 PHE A 532 12.116 -27.557 -4.166 1.00 2.53 H new ATOM 0 HE1 PHE A 532 10.485 -24.794 -0.385 1.00 13.43 H new ATOM 0 HE2 PHE A 532 13.545 -27.232 -2.177 1.00 70.50 H new ATOM 0 HZ PHE A 532 12.730 -25.874 -0.270 1.00 30.33 H new ATOM 74 N THR A 533 9.869 -26.393 -7.840 1.00 71.33 N ATOM 75 CA THR A 533 9.327 -26.789 -9.132 1.00 43.02 C ATOM 76 C THR A 533 10.338 -27.749 -9.762 1.00 11.33 C ATOM 77 O THR A 533 11.457 -27.855 -9.265 1.00 45.21 O ATOM 78 CB THR A 533 9.122 -25.516 -9.995 1.00 65.45 C ATOM 79 OG1 THR A 533 8.406 -25.837 -11.190 1.00 3.13 O ATOM 80 CG2 THR A 533 10.435 -24.894 -10.364 1.00 43.32 C ATOM 0 H THR A 533 10.878 -26.512 -7.752 1.00 71.33 H new ATOM 0 HA THR A 533 8.361 -27.287 -9.046 1.00 43.02 H new ATOM 0 HB THR A 533 8.549 -24.804 -9.401 1.00 65.45 H new ATOM 0 HG1 THR A 533 8.891 -25.486 -11.966 1.00 3.13 H new ATOM 0 HG21 THR A 533 10.259 -24.004 -10.968 1.00 43.32 H new ATOM 0 HG22 THR A 533 10.974 -24.616 -9.458 1.00 43.32 H new ATOM 0 HG23 THR A 533 11.029 -25.608 -10.934 1.00 43.32 H new ATOM 88 N PHE A 534 9.966 -28.454 -10.821 1.00 50.25 N ATOM 89 CA PHE A 534 10.889 -29.378 -11.482 1.00 72.23 C ATOM 90 C PHE A 534 11.413 -28.763 -12.763 1.00 61.31 C ATOM 91 O PHE A 534 10.990 -27.684 -13.164 1.00 73.00 O ATOM 92 CB PHE A 534 10.190 -30.687 -11.829 1.00 52.12 C ATOM 93 CG PHE A 534 9.843 -31.550 -10.646 1.00 11.20 C ATOM 94 CD1 PHE A 534 10.283 -31.287 -9.331 1.00 41.15 C ATOM 95 CD2 PHE A 534 9.067 -32.669 -10.877 1.00 24.33 C ATOM 96 CE1 PHE A 534 9.905 -32.155 -8.265 1.00 25.42 C ATOM 97 CE2 PHE A 534 8.706 -33.550 -9.848 1.00 32.20 C ATOM 98 CZ PHE A 534 9.117 -33.296 -8.538 1.00 50.44 C ATOM 0 H PHE A 534 9.038 -28.408 -11.242 1.00 50.25 H new ATOM 0 HA PHE A 534 11.711 -29.575 -10.794 1.00 72.23 H new ATOM 0 HB2 PHE A 534 9.275 -30.460 -12.376 1.00 52.12 H new ATOM 0 HB3 PHE A 534 10.831 -31.257 -12.502 1.00 52.12 H new ATOM 0 HD1 PHE A 534 10.906 -30.428 -9.132 1.00 41.15 H new ATOM 0 HD2 PHE A 534 8.728 -32.872 -11.882 1.00 24.33 H new ATOM 0 HE1 PHE A 534 10.219 -31.942 -7.254 1.00 25.42 H new ATOM 0 HE2 PHE A 534 8.111 -34.424 -10.068 1.00 32.20 H new ATOM 0 HZ PHE A 534 8.835 -33.966 -7.740 1.00 50.44 H new ATOM 108 N GLU A 535 12.347 -29.463 -13.383 1.00 64.23 N ATOM 109 CA GLU A 535 12.961 -29.034 -14.637 1.00 51.43 C ATOM 110 C GLU A 535 12.045 -29.132 -15.855 1.00 33.22 C ATOM 111 O GLU A 535 11.972 -28.197 -16.648 1.00 53.01 O ATOM 112 CB GLU A 535 14.173 -29.913 -14.902 1.00 70.43 C ATOM 113 CG GLU A 535 15.432 -29.452 -14.191 1.00 14.24 C ATOM 114 CD GLU A 535 16.676 -30.197 -14.665 1.00 11.04 C ATOM 115 OE1 GLU A 535 16.545 -31.355 -15.128 1.00 53.50 O ATOM 116 OE2 GLU A 535 17.789 -29.667 -14.482 1.00 44.43 O ATOM 0 H GLU A 535 12.706 -30.351 -13.032 1.00 64.23 H new ATOM 0 HA GLU A 535 13.212 -27.981 -14.509 1.00 51.43 H new ATOM 0 HB2 GLU A 535 13.945 -30.933 -14.592 1.00 70.43 H new ATOM 0 HB3 GLU A 535 14.362 -29.940 -15.975 1.00 70.43 H new ATOM 0 HG2 GLU A 535 15.568 -28.383 -14.356 1.00 14.24 H new ATOM 0 HG3 GLU A 535 15.313 -29.597 -13.117 1.00 14.24 H new ATOM 123 N CYS A 536 11.379 -30.268 -16.025 1.00 22.24 N ATOM 124 CA CYS A 536 10.580 -30.524 -17.217 1.00 74.01 C ATOM 125 C CYS A 536 9.160 -30.867 -16.815 1.00 64.11 C ATOM 126 O CYS A 536 8.854 -30.961 -15.629 1.00 71.03 O ATOM 127 CB CYS A 536 11.193 -31.685 -18.010 1.00 54.11 C ATOM 128 SG CYS A 536 12.906 -31.387 -18.506 1.00 63.35 S ATOM 0 H CYS A 536 11.377 -31.031 -15.348 1.00 22.24 H new ATOM 0 HA CYS A 536 10.568 -29.631 -17.843 1.00 74.01 H new ATOM 0 HB2 CYS A 536 11.149 -32.591 -17.406 1.00 54.11 H new ATOM 0 HB3 CYS A 536 10.591 -31.866 -18.900 1.00 54.11 H new ATOM 0 HG CYS A 536 13.351 -32.413 -19.168 1.00 63.35 H new ATOM 134 N ASP A 537 8.302 -31.046 -17.806 1.00 43.21 N ATOM 135 CA ASP A 537 6.893 -31.356 -17.569 1.00 12.12 C ATOM 136 C ASP A 537 6.551 -32.735 -18.113 1.00 3.13 C ATOM 137 O ASP A 537 5.567 -33.341 -17.710 1.00 61.52 O ATOM 138 CB ASP A 537 6.019 -30.311 -18.268 1.00 20.40 C ATOM 139 CG ASP A 537 6.221 -28.921 -17.704 1.00 2.13 C ATOM 140 OD1 ASP A 537 7.249 -28.279 -18.031 1.00 63.50 O ATOM 141 OD2 ASP A 537 5.391 -28.487 -16.887 1.00 31.14 O ATOM 0 H ASP A 537 8.555 -30.982 -18.792 1.00 43.21 H new ATOM 0 HA ASP A 537 6.708 -31.343 -16.495 1.00 12.12 H new ATOM 0 HB2 ASP A 537 6.247 -30.305 -19.334 1.00 20.40 H new ATOM 0 HB3 ASP A 537 4.971 -30.592 -18.168 1.00 20.40 H new ATOM 146 N THR A 538 7.379 -33.227 -19.026 1.00 32.14 N ATOM 147 CA THR A 538 7.148 -34.485 -19.703 1.00 73.12 C ATOM 148 C THR A 538 8.517 -35.082 -20.012 1.00 32.01 C ATOM 149 O THR A 538 9.444 -34.364 -20.392 1.00 4.34 O ATOM 150 CB THR A 538 6.376 -34.267 -21.023 1.00 41.50 C ATOM 151 OG1 THR A 538 5.267 -33.398 -20.783 1.00 52.31 O ATOM 152 CG2 THR A 538 5.840 -35.576 -21.582 1.00 21.34 C ATOM 0 H THR A 538 8.236 -32.756 -19.316 1.00 32.14 H new ATOM 0 HA THR A 538 6.553 -35.146 -19.073 1.00 73.12 H new ATOM 0 HB THR A 538 7.068 -33.833 -21.744 1.00 41.50 H new ATOM 0 HG1 THR A 538 4.776 -33.256 -21.619 1.00 52.31 H new ATOM 0 HG21 THR A 538 5.303 -35.382 -22.511 1.00 21.34 H new ATOM 0 HG22 THR A 538 6.670 -36.255 -21.778 1.00 21.34 H new ATOM 0 HG23 THR A 538 5.162 -36.030 -20.859 1.00 21.34 H new ATOM 160 N ILE A 539 8.639 -36.377 -19.799 1.00 13.42 N ATOM 161 CA ILE A 539 9.880 -37.126 -19.991 1.00 65.13 C ATOM 162 C ILE A 539 9.572 -38.558 -20.466 1.00 15.44 C ATOM 163 O ILE A 539 8.489 -39.080 -20.233 1.00 42.54 O ATOM 164 CB ILE A 539 10.690 -37.136 -18.630 1.00 22.24 C ATOM 165 CG1 ILE A 539 12.121 -37.676 -18.811 1.00 61.40 C ATOM 166 CG2 ILE A 539 9.908 -37.892 -17.503 1.00 12.32 C ATOM 167 CD1 ILE A 539 12.363 -39.061 -18.199 1.00 30.02 C ATOM 0 H ILE A 539 7.864 -36.958 -19.480 1.00 13.42 H new ATOM 0 HA ILE A 539 10.486 -36.648 -20.760 1.00 65.13 H new ATOM 0 HB ILE A 539 10.792 -36.100 -18.308 1.00 22.24 H new ATOM 0 HG12 ILE A 539 12.347 -37.720 -19.876 1.00 61.40 H new ATOM 0 HG13 ILE A 539 12.821 -36.969 -18.366 1.00 61.40 H new ATOM 0 HG21 ILE A 539 10.493 -37.880 -16.583 1.00 12.32 H new ATOM 0 HG22 ILE A 539 8.951 -37.400 -17.331 1.00 12.32 H new ATOM 0 HG23 ILE A 539 9.735 -38.924 -17.809 1.00 12.32 H new ATOM 0 HD11 ILE A 539 13.396 -39.361 -18.374 1.00 30.02 H new ATOM 0 HD12 ILE A 539 12.173 -39.023 -17.126 1.00 30.02 H new ATOM 0 HD13 ILE A 539 11.692 -39.785 -18.661 1.00 30.02 H new ATOM 179 N HIS A 540 10.540 -39.190 -21.113 1.00 60.32 N ATOM 180 CA HIS A 540 10.478 -40.616 -21.434 1.00 74.54 C ATOM 181 C HIS A 540 11.630 -41.322 -20.755 1.00 22.31 C ATOM 182 O HIS A 540 12.785 -40.943 -20.950 1.00 34.21 O ATOM 183 CB HIS A 540 10.612 -40.862 -22.940 1.00 31.01 C ATOM 184 CG HIS A 540 9.300 -40.975 -23.639 1.00 73.04 C ATOM 185 ND1 HIS A 540 8.941 -42.063 -24.445 1.00 5.44 N ATOM 186 CD2 HIS A 540 8.220 -40.161 -23.653 1.00 50.43 C ATOM 187 CE1 HIS A 540 7.698 -41.878 -24.878 1.00 71.34 C ATOM 188 NE2 HIS A 540 7.253 -40.737 -24.422 1.00 11.35 N ATOM 0 H HIS A 540 11.393 -38.732 -21.432 1.00 60.32 H new ATOM 0 HA HIS A 540 9.513 -40.992 -21.093 1.00 74.54 H new ATOM 0 HB2 HIS A 540 11.183 -40.047 -23.385 1.00 31.01 H new ATOM 0 HB3 HIS A 540 11.182 -41.777 -23.102 1.00 31.01 H new ATOM 0 HD2 HIS A 540 8.138 -39.214 -23.141 1.00 50.43 H new ATOM 0 HE1 HIS A 540 7.145 -42.561 -25.506 1.00 71.34 H new ATOM 0 HE2 HIS A 540 6.332 -40.342 -24.611 1.00 11.35 H new ATOM 196 N VAL A 541 11.331 -42.381 -20.027 1.00 71.44 N ATOM 197 CA VAL A 541 12.370 -43.318 -19.576 1.00 61.15 C ATOM 198 C VAL A 541 12.056 -44.652 -20.214 1.00 64.23 C ATOM 199 O VAL A 541 11.002 -44.819 -20.797 1.00 10.41 O ATOM 200 CB VAL A 541 12.435 -43.511 -18.028 1.00 70.22 C ATOM 201 CG1 VAL A 541 12.878 -42.250 -17.347 1.00 42.32 C ATOM 202 CG2 VAL A 541 11.093 -43.982 -17.459 1.00 44.41 C ATOM 0 H VAL A 541 10.385 -42.623 -19.731 1.00 71.44 H new ATOM 0 HA VAL A 541 13.338 -42.909 -19.867 1.00 61.15 H new ATOM 0 HB VAL A 541 13.172 -44.289 -17.831 1.00 70.22 H new ATOM 0 HG11 VAL A 541 12.915 -42.412 -16.270 1.00 42.32 H new ATOM 0 HG12 VAL A 541 13.869 -41.971 -17.706 1.00 42.32 H new ATOM 0 HG13 VAL A 541 12.173 -41.449 -17.570 1.00 42.32 H new ATOM 0 HG21 VAL A 541 11.179 -44.105 -16.379 1.00 44.41 H new ATOM 0 HG22 VAL A 541 10.324 -43.242 -17.680 1.00 44.41 H new ATOM 0 HG23 VAL A 541 10.820 -44.935 -17.912 1.00 44.41 H new ATOM 212 N SER A 542 12.962 -45.597 -20.052 1.00 20.02 N ATOM 213 CA SER A 542 12.759 -46.977 -20.463 1.00 75.15 C ATOM 214 C SER A 542 12.983 -47.734 -19.177 1.00 32.25 C ATOM 215 O SER A 542 13.601 -47.190 -18.279 1.00 52.41 O ATOM 216 CB SER A 542 13.792 -47.378 -21.514 1.00 51.55 C ATOM 217 OG SER A 542 13.701 -46.519 -22.638 1.00 50.12 O ATOM 0 H SER A 542 13.873 -45.428 -19.626 1.00 20.02 H new ATOM 0 HA SER A 542 11.785 -47.164 -20.914 1.00 75.15 H new ATOM 0 HB2 SER A 542 14.794 -47.328 -21.088 1.00 51.55 H new ATOM 0 HB3 SER A 542 13.628 -48.411 -21.821 1.00 51.55 H new ATOM 0 HG SER A 542 14.368 -46.782 -23.306 1.00 50.12 H new ATOM 223 N GLU A 543 12.527 -48.965 -19.072 1.00 2.04 N ATOM 224 CA GLU A 543 12.757 -49.768 -17.860 1.00 12.01 C ATOM 225 C GLU A 543 14.245 -50.013 -17.673 1.00 33.10 C ATOM 226 O GLU A 543 14.758 -50.097 -16.557 1.00 3.41 O ATOM 227 CB GLU A 543 12.036 -51.125 -17.935 1.00 0.35 C ATOM 228 CG GLU A 543 11.446 -51.481 -19.300 1.00 10.42 C ATOM 229 CD GLU A 543 12.502 -51.540 -20.413 1.00 52.42 C ATOM 230 OE1 GLU A 543 13.504 -52.277 -20.290 1.00 45.24 O ATOM 231 OE2 GLU A 543 12.405 -50.694 -21.330 1.00 42.44 O ATOM 0 H GLU A 543 11.996 -49.441 -19.801 1.00 2.04 H new ATOM 0 HA GLU A 543 12.357 -49.207 -17.015 1.00 12.01 H new ATOM 0 HB2 GLU A 543 12.739 -51.907 -17.647 1.00 0.35 H new ATOM 0 HB3 GLU A 543 11.233 -51.131 -17.198 1.00 0.35 H new ATOM 0 HG2 GLU A 543 10.943 -52.446 -19.232 1.00 10.42 H new ATOM 0 HG3 GLU A 543 10.687 -50.745 -19.565 1.00 10.42 H new ATOM 238 N SER A 544 14.937 -50.055 -18.798 1.00 1.45 N ATOM 239 CA SER A 544 16.363 -50.329 -18.865 1.00 14.24 C ATOM 240 C SER A 544 17.210 -49.254 -18.193 1.00 74.22 C ATOM 241 O SER A 544 18.402 -49.441 -17.966 1.00 71.04 O ATOM 242 CB SER A 544 16.749 -50.434 -20.334 1.00 73.42 C ATOM 243 OG SER A 544 15.577 -50.477 -21.140 1.00 64.11 O ATOM 0 H SER A 544 14.514 -49.896 -19.712 1.00 1.45 H new ATOM 0 HA SER A 544 16.556 -51.257 -18.327 1.00 14.24 H new ATOM 0 HB2 SER A 544 17.366 -49.582 -20.619 1.00 73.42 H new ATOM 0 HB3 SER A 544 17.347 -51.330 -20.499 1.00 73.42 H new ATOM 0 HG SER A 544 15.006 -51.217 -20.847 1.00 64.11 H new ATOM 249 N ILE A 545 16.588 -48.130 -17.864 1.00 4.15 N ATOM 250 CA ILE A 545 17.274 -47.059 -17.163 1.00 42.41 C ATOM 251 C ILE A 545 17.580 -47.476 -15.721 1.00 72.21 C ATOM 252 O ILE A 545 18.518 -46.966 -15.098 1.00 4.43 O ATOM 253 CB ILE A 545 16.408 -45.769 -17.156 1.00 23.03 C ATOM 254 CG1 ILE A 545 17.303 -44.554 -16.900 1.00 40.35 C ATOM 255 CG2 ILE A 545 15.246 -45.874 -16.118 1.00 34.41 C ATOM 256 CD1 ILE A 545 16.549 -43.291 -16.660 1.00 23.00 C ATOM 0 H ILE A 545 15.608 -47.938 -18.073 1.00 4.15 H new ATOM 0 HA ILE A 545 18.209 -46.857 -17.685 1.00 42.41 H new ATOM 0 HB ILE A 545 15.938 -45.647 -18.132 1.00 23.03 H new ATOM 0 HG12 ILE A 545 17.937 -44.757 -16.037 1.00 40.35 H new ATOM 0 HG13 ILE A 545 17.964 -44.415 -17.756 1.00 40.35 H new ATOM 0 HG21 ILE A 545 14.658 -44.957 -16.136 1.00 34.41 H new ATOM 0 HG22 ILE A 545 14.607 -46.720 -16.372 1.00 34.41 H new ATOM 0 HG23 ILE A 545 15.661 -46.019 -15.121 1.00 34.41 H new ATOM 0 HD11 ILE A 545 17.251 -42.475 -16.487 1.00 23.00 H new ATOM 0 HD12 ILE A 545 15.935 -43.062 -17.531 1.00 23.00 H new ATOM 0 HD13 ILE A 545 15.908 -43.410 -15.786 1.00 23.00 H new ATOM 268 N GLY A 546 16.769 -48.371 -15.169 1.00 31.30 N ATOM 269 CA GLY A 546 16.940 -48.759 -13.788 1.00 23.44 C ATOM 270 C GLY A 546 16.266 -47.803 -12.840 1.00 74.41 C ATOM 271 O GLY A 546 15.312 -48.142 -12.147 1.00 30.22 O ATOM 0 H GLY A 546 15.999 -48.832 -15.654 1.00 31.30 H new ATOM 0 HA2 GLY A 546 16.534 -49.760 -13.641 1.00 23.44 H new ATOM 0 HA3 GLY A 546 18.004 -48.809 -13.556 1.00 23.44 H new ATOM 275 N VAL A 547 16.802 -46.597 -12.779 1.00 45.11 N ATOM 276 CA VAL A 547 16.330 -45.587 -11.847 1.00 43.15 C ATOM 277 C VAL A 547 16.176 -44.241 -12.550 1.00 64.02 C ATOM 278 O VAL A 547 17.141 -43.661 -13.045 1.00 61.43 O ATOM 279 CB VAL A 547 17.319 -45.461 -10.659 1.00 15.53 C ATOM 280 CG1 VAL A 547 16.872 -44.371 -9.695 1.00 14.44 C ATOM 281 CG2 VAL A 547 17.433 -46.798 -9.893 1.00 44.21 C ATOM 0 H VAL A 547 17.574 -46.290 -13.371 1.00 45.11 H new ATOM 0 HA VAL A 547 15.355 -45.890 -11.467 1.00 43.15 H new ATOM 0 HB VAL A 547 18.293 -45.199 -11.071 1.00 15.53 H new ATOM 0 HG11 VAL A 547 17.581 -44.301 -8.870 1.00 14.44 H new ATOM 0 HG12 VAL A 547 16.830 -43.416 -10.219 1.00 14.44 H new ATOM 0 HG13 VAL A 547 15.884 -44.614 -9.304 1.00 14.44 H new ATOM 0 HG21 VAL A 547 18.132 -46.684 -9.065 1.00 44.21 H new ATOM 0 HG22 VAL A 547 16.454 -47.080 -9.505 1.00 44.21 H new ATOM 0 HG23 VAL A 547 17.793 -47.574 -10.568 1.00 44.21 H new ATOM 291 N MET A 548 14.948 -43.748 -12.578 1.00 70.32 N ATOM 292 CA MET A 548 14.632 -42.450 -13.160 1.00 13.55 C ATOM 293 C MET A 548 14.964 -41.347 -12.160 1.00 33.54 C ATOM 294 O MET A 548 14.973 -41.584 -10.950 1.00 52.34 O ATOM 295 CB MET A 548 13.155 -42.394 -13.563 1.00 73.44 C ATOM 296 CG MET A 548 12.190 -41.943 -12.460 1.00 70.14 C ATOM 297 SD MET A 548 12.036 -40.148 -12.298 1.00 72.23 S ATOM 298 CE MET A 548 11.567 -39.682 -13.974 1.00 54.20 C ATOM 0 H MET A 548 14.138 -44.237 -12.197 1.00 70.32 H new ATOM 0 HA MET A 548 15.232 -42.301 -14.058 1.00 13.55 H new ATOM 0 HB2 MET A 548 13.053 -41.717 -14.411 1.00 73.44 H new ATOM 0 HB3 MET A 548 12.852 -43.383 -13.906 1.00 73.44 H new ATOM 0 HG2 MET A 548 11.205 -42.364 -12.660 1.00 70.14 H new ATOM 0 HG3 MET A 548 12.526 -42.355 -11.508 1.00 70.14 H new ATOM 0 HE1 MET A 548 10.821 -38.889 -13.936 1.00 54.20 H new ATOM 0 HE2 MET A 548 12.446 -39.328 -14.513 1.00 54.20 H new ATOM 0 HE3 MET A 548 11.150 -40.548 -14.489 1.00 54.20 H new ATOM 308 N GLU A 549 15.253 -40.154 -12.662 1.00 22.35 N ATOM 309 CA GLU A 549 15.517 -39.002 -11.804 1.00 23.34 C ATOM 310 C GLU A 549 14.859 -37.737 -12.324 1.00 43.10 C ATOM 311 O GLU A 549 14.926 -37.442 -13.519 1.00 4.33 O ATOM 312 CB GLU A 549 17.020 -38.727 -11.696 1.00 64.55 C ATOM 313 CG GLU A 549 17.539 -38.581 -10.308 1.00 73.20 C ATOM 314 CD GLU A 549 19.040 -38.298 -10.296 1.00 2.33 C ATOM 315 OE1 GLU A 549 19.535 -37.625 -11.233 1.00 35.15 O ATOM 316 OE2 GLU A 549 19.727 -38.723 -9.335 1.00 52.52 O ATOM 0 H GLU A 549 15.311 -39.956 -13.661 1.00 22.35 H new ATOM 0 HA GLU A 549 15.101 -39.256 -10.829 1.00 23.34 H new ATOM 0 HB2 GLU A 549 17.558 -39.539 -12.184 1.00 64.55 H new ATOM 0 HB3 GLU A 549 17.247 -37.816 -12.250 1.00 64.55 H new ATOM 0 HG2 GLU A 549 17.011 -37.771 -9.805 1.00 73.20 H new ATOM 0 HG3 GLU A 549 17.335 -39.492 -9.745 1.00 73.20 H new ATOM 323 N VAL A 550 14.316 -36.941 -11.415 1.00 4.31 N ATOM 324 CA VAL A 550 13.847 -35.594 -11.749 1.00 61.33 C ATOM 325 C VAL A 550 14.702 -34.656 -10.944 1.00 2.13 C ATOM 326 O VAL A 550 15.066 -34.969 -9.814 1.00 24.14 O ATOM 327 CB VAL A 550 12.329 -35.362 -11.427 1.00 70.00 C ATOM 328 CG1 VAL A 550 11.550 -36.627 -11.674 1.00 2.44 C ATOM 329 CG2 VAL A 550 12.099 -34.866 -9.987 1.00 13.34 C ATOM 0 H VAL A 550 14.187 -37.200 -10.437 1.00 4.31 H new ATOM 0 HA VAL A 550 13.934 -35.430 -12.823 1.00 61.33 H new ATOM 0 HB VAL A 550 11.974 -34.577 -12.094 1.00 70.00 H new ATOM 0 HG11 VAL A 550 10.498 -36.456 -11.448 1.00 2.44 H new ATOM 0 HG12 VAL A 550 11.654 -36.920 -12.719 1.00 2.44 H new ATOM 0 HG13 VAL A 550 11.934 -37.422 -11.034 1.00 2.44 H new ATOM 0 HG21 VAL A 550 11.032 -34.722 -9.818 1.00 13.34 H new ATOM 0 HG22 VAL A 550 12.482 -35.604 -9.282 1.00 13.34 H new ATOM 0 HG23 VAL A 550 12.621 -33.920 -9.840 1.00 13.34 H new ATOM 339 N LYS A 551 15.038 -33.513 -11.507 1.00 5.11 N ATOM 340 CA LYS A 551 15.798 -32.508 -10.781 1.00 12.40 C ATOM 341 C LYS A 551 14.772 -31.540 -10.226 1.00 13.44 C ATOM 342 O LYS A 551 13.873 -31.087 -10.939 1.00 12.32 O ATOM 343 CB LYS A 551 16.777 -31.785 -11.701 1.00 42.34 C ATOM 344 CG LYS A 551 18.130 -32.488 -11.935 1.00 2.01 C ATOM 345 CD LYS A 551 18.004 -33.821 -12.695 1.00 14.04 C ATOM 346 CE LYS A 551 19.369 -34.453 -12.928 1.00 13.24 C ATOM 347 NZ LYS A 551 19.242 -35.855 -13.462 1.00 23.23 N ATOM 0 H LYS A 551 14.798 -33.254 -12.464 1.00 5.11 H new ATOM 0 HA LYS A 551 16.397 -32.960 -9.991 1.00 12.40 H new ATOM 0 HB2 LYS A 551 16.295 -31.637 -12.667 1.00 42.34 H new ATOM 0 HB3 LYS A 551 16.971 -30.796 -11.287 1.00 42.34 H new ATOM 0 HG2 LYS A 551 18.786 -31.820 -12.494 1.00 2.01 H new ATOM 0 HG3 LYS A 551 18.607 -32.671 -10.972 1.00 2.01 H new ATOM 0 HD2 LYS A 551 17.374 -34.507 -12.129 1.00 14.04 H new ATOM 0 HD3 LYS A 551 17.511 -33.652 -13.652 1.00 14.04 H new ATOM 0 HE2 LYS A 551 19.938 -33.845 -13.631 1.00 13.24 H new ATOM 0 HE3 LYS A 551 19.929 -34.468 -11.993 1.00 13.24 H new ATOM 0 HZ1 LYS A 551 19.986 -36.026 -14.169 1.00 23.23 H new ATOM 0 HZ2 LYS A 551 19.344 -36.534 -12.681 1.00 23.23 H new ATOM 0 HZ3 LYS A 551 18.309 -35.974 -13.905 1.00 23.23 H new ATOM 361 N VAL A 552 14.895 -31.262 -8.943 1.00 24.53 N ATOM 362 CA VAL A 552 13.999 -30.353 -8.240 1.00 13.11 C ATOM 363 C VAL A 552 14.750 -29.061 -7.969 1.00 23.44 C ATOM 364 O VAL A 552 15.828 -29.088 -7.375 1.00 13.11 O ATOM 365 CB VAL A 552 13.558 -30.921 -6.869 1.00 23.34 C ATOM 366 CG1 VAL A 552 12.341 -30.136 -6.341 1.00 13.14 C ATOM 367 CG2 VAL A 552 13.253 -32.426 -6.952 1.00 72.55 C ATOM 0 H VAL A 552 15.623 -31.661 -8.351 1.00 24.53 H new ATOM 0 HA VAL A 552 13.117 -30.203 -8.862 1.00 13.11 H new ATOM 0 HB VAL A 552 14.384 -30.801 -6.168 1.00 23.34 H new ATOM 0 HG11 VAL A 552 12.037 -30.542 -5.376 1.00 13.14 H new ATOM 0 HG12 VAL A 552 12.608 -29.086 -6.225 1.00 13.14 H new ATOM 0 HG13 VAL A 552 11.516 -30.225 -7.048 1.00 13.14 H new ATOM 0 HG21 VAL A 552 12.947 -32.790 -5.971 1.00 72.55 H new ATOM 0 HG22 VAL A 552 12.450 -32.595 -7.669 1.00 72.55 H new ATOM 0 HG23 VAL A 552 14.146 -32.961 -7.275 1.00 72.55 H new ATOM 377 N LEU A 553 14.200 -27.947 -8.423 1.00 65.32 N ATOM 378 CA LEU A 553 14.806 -26.645 -8.257 1.00 4.22 C ATOM 379 C LEU A 553 14.037 -25.837 -7.221 1.00 70.23 C ATOM 380 O LEU A 553 12.856 -26.097 -6.958 1.00 33.33 O ATOM 381 CB LEU A 553 14.769 -25.877 -9.582 1.00 63.53 C ATOM 382 CG LEU A 553 15.242 -26.567 -10.876 1.00 42.44 C ATOM 383 CD1 LEU A 553 16.577 -27.314 -10.725 1.00 53.53 C ATOM 384 CD2 LEU A 553 14.186 -27.468 -11.455 1.00 34.51 C ATOM 0 H LEU A 553 13.311 -27.926 -8.922 1.00 65.32 H new ATOM 0 HA LEU A 553 15.837 -26.788 -7.932 1.00 4.22 H new ATOM 0 HB2 LEU A 553 13.741 -25.553 -9.742 1.00 63.53 H new ATOM 0 HB3 LEU A 553 15.370 -24.977 -9.454 1.00 63.53 H new ATOM 0 HG LEU A 553 15.421 -25.755 -11.581 1.00 42.44 H new ATOM 0 HD11 LEU A 553 16.846 -27.774 -11.676 1.00 53.53 H new ATOM 0 HD12 LEU A 553 17.356 -26.611 -10.429 1.00 53.53 H new ATOM 0 HD13 LEU A 553 16.477 -28.087 -9.963 1.00 53.53 H new ATOM 0 HD21 LEU A 553 14.564 -27.933 -12.366 1.00 34.51 H new ATOM 0 HD22 LEU A 553 13.932 -28.242 -10.731 1.00 34.51 H new ATOM 0 HD23 LEU A 553 13.296 -26.883 -11.688 1.00 34.51 H new ATOM 396 N ARG A 554 14.685 -24.807 -6.702 1.00 14.12 N ATOM 397 CA ARG A 554 14.052 -23.836 -5.810 1.00 21.45 C ATOM 398 C ARG A 554 14.577 -22.456 -6.191 1.00 15.31 C ATOM 399 O ARG A 554 15.745 -22.309 -6.523 1.00 71.22 O ATOM 400 CB ARG A 554 14.329 -24.163 -4.328 1.00 31.24 C ATOM 401 CG ARG A 554 14.079 -22.979 -3.386 1.00 11.55 C ATOM 402 CD ARG A 554 14.082 -23.336 -1.915 1.00 23.15 C ATOM 403 NE ARG A 554 15.378 -23.845 -1.433 1.00 51.15 N ATOM 404 CZ ARG A 554 15.775 -23.845 -0.163 1.00 51.44 C ATOM 405 NH1 ARG A 554 15.030 -23.391 0.809 1.00 4.02 N ATOM 406 NH2 ARG A 554 16.947 -24.292 0.150 1.00 52.23 N ATOM 0 H ARG A 554 15.670 -24.616 -6.886 1.00 14.12 H new ATOM 0 HA ARG A 554 12.969 -23.869 -5.924 1.00 21.45 H new ATOM 0 HB2 ARG A 554 13.699 -24.999 -4.024 1.00 31.24 H new ATOM 0 HB3 ARG A 554 15.364 -24.489 -4.223 1.00 31.24 H new ATOM 0 HG2 ARG A 554 14.842 -22.221 -3.565 1.00 11.55 H new ATOM 0 HG3 ARG A 554 13.118 -22.529 -3.636 1.00 11.55 H new ATOM 0 HD2 ARG A 554 13.809 -22.454 -1.335 1.00 23.15 H new ATOM 0 HD3 ARG A 554 13.315 -24.088 -1.731 1.00 23.15 H new ATOM 0 HE ARG A 554 16.021 -24.227 -2.127 1.00 51.15 H new ATOM 0 HH11 ARG A 554 14.103 -23.017 0.609 1.00 4.02 H new ATOM 0 HH12 ARG A 554 15.376 -23.411 1.768 1.00 4.02 H new ATOM 0 HH21 ARG A 554 17.569 -24.645 -0.577 1.00 52.23 H new ATOM 0 HH22 ARG A 554 17.250 -24.291 1.124 1.00 52.23 H new ATOM 420 N THR A 555 13.704 -21.457 -6.180 1.00 74.23 N ATOM 421 CA THR A 555 14.085 -20.084 -6.558 1.00 23.10 C ATOM 422 C THR A 555 15.058 -19.451 -5.539 1.00 31.22 C ATOM 423 O THR A 555 15.316 -20.015 -4.478 1.00 14.42 O ATOM 424 CB THR A 555 12.822 -19.179 -6.730 1.00 54.53 C ATOM 425 OG1 THR A 555 13.171 -17.998 -7.455 1.00 10.55 O ATOM 426 CG2 THR A 555 12.223 -18.754 -5.384 1.00 31.01 C ATOM 0 H THR A 555 12.725 -21.562 -5.915 1.00 74.23 H new ATOM 0 HA THR A 555 14.603 -20.152 -7.515 1.00 23.10 H new ATOM 0 HB THR A 555 12.080 -19.768 -7.269 1.00 54.53 H new ATOM 0 HG1 THR A 555 12.377 -17.434 -7.563 1.00 10.55 H new ATOM 0 HG21 THR A 555 11.348 -18.127 -5.557 1.00 31.01 H new ATOM 0 HG22 THR A 555 11.929 -19.640 -4.821 1.00 31.01 H new ATOM 0 HG23 THR A 555 12.965 -18.193 -4.816 1.00 31.01 H new ATOM 434 N SER A 556 15.545 -18.249 -5.838 1.00 41.53 N ATOM 435 CA SER A 556 16.500 -17.514 -4.983 1.00 1.21 C ATOM 436 C SER A 556 15.917 -17.024 -3.645 1.00 44.24 C ATOM 437 O SER A 556 16.569 -16.306 -2.876 1.00 23.32 O ATOM 438 CB SER A 556 17.036 -16.318 -5.764 1.00 52.45 C ATOM 439 OG SER A 556 15.962 -15.490 -6.187 1.00 64.13 O ATOM 0 H SER A 556 15.291 -17.745 -6.687 1.00 41.53 H new ATOM 0 HA SER A 556 17.288 -18.221 -4.724 1.00 1.21 H new ATOM 0 HB2 SER A 556 17.723 -15.745 -5.141 1.00 52.45 H new ATOM 0 HB3 SER A 556 17.602 -16.663 -6.629 1.00 52.45 H new ATOM 0 HG SER A 556 16.316 -14.724 -6.686 1.00 64.13 H new ATOM 445 N GLY A 557 14.719 -17.490 -3.338 1.00 34.25 N ATOM 446 CA GLY A 557 14.085 -17.246 -2.058 1.00 62.20 C ATOM 447 C GLY A 557 14.528 -18.297 -1.056 1.00 20.03 C ATOM 448 O GLY A 557 13.862 -18.541 -0.072 1.00 40.31 O ATOM 0 H GLY A 557 14.156 -18.052 -3.976 1.00 34.25 H new ATOM 0 HA2 GLY A 557 14.347 -16.252 -1.696 1.00 62.20 H new ATOM 0 HA3 GLY A 557 13.001 -17.270 -2.168 1.00 62.20 H new ATOM 452 N ALA A 558 15.625 -18.977 -1.352 1.00 2.32 N ATOM 453 CA ALA A 558 16.115 -20.094 -0.544 1.00 70.13 C ATOM 454 C ALA A 558 16.794 -19.676 0.765 1.00 12.14 C ATOM 455 O ALA A 558 17.979 -19.933 0.968 1.00 32.14 O ATOM 456 CB ALA A 558 17.079 -20.901 -1.381 1.00 21.41 C ATOM 0 H ALA A 558 16.207 -18.772 -2.164 1.00 2.32 H new ATOM 0 HA ALA A 558 15.244 -20.680 -0.249 1.00 70.13 H new ATOM 0 HB1 ALA A 558 17.456 -21.739 -0.795 1.00 21.41 H new ATOM 0 HB2 ALA A 558 16.566 -21.278 -2.266 1.00 21.41 H new ATOM 0 HB3 ALA A 558 17.912 -20.269 -1.687 1.00 21.41 H new ATOM 462 N ARG A 559 16.058 -19.037 1.655 1.00 23.31 N ATOM 463 CA ARG A 559 16.624 -18.610 2.928 1.00 51.32 C ATOM 464 C ARG A 559 16.388 -19.720 3.933 1.00 72.53 C ATOM 465 O ARG A 559 15.263 -19.998 4.326 1.00 55.11 O ATOM 466 CB ARG A 559 16.006 -17.275 3.372 1.00 25.15 C ATOM 467 CG ARG A 559 15.963 -16.219 2.229 1.00 44.33 C ATOM 468 CD ARG A 559 17.359 -15.904 1.665 1.00 4.04 C ATOM 469 NE ARG A 559 17.294 -15.063 0.456 1.00 40.51 N ATOM 470 CZ ARG A 559 17.343 -13.736 0.431 1.00 2.31 C ATOM 471 NH1 ARG A 559 17.428 -13.012 1.523 1.00 52.03 N ATOM 472 NH2 ARG A 559 17.320 -13.130 -0.721 1.00 74.25 N ATOM 0 H ARG A 559 15.074 -18.802 1.525 1.00 23.31 H new ATOM 0 HA ARG A 559 17.696 -18.433 2.839 1.00 51.32 H new ATOM 0 HB2 ARG A 559 14.994 -17.452 3.735 1.00 25.15 H new ATOM 0 HB3 ARG A 559 16.579 -16.875 4.208 1.00 25.15 H new ATOM 0 HG2 ARG A 559 15.324 -16.584 1.425 1.00 44.33 H new ATOM 0 HG3 ARG A 559 15.510 -15.301 2.604 1.00 44.33 H new ATOM 0 HD2 ARG A 559 17.951 -15.397 2.427 1.00 4.04 H new ATOM 0 HD3 ARG A 559 17.873 -16.836 1.430 1.00 4.04 H new ATOM 0 HE ARG A 559 17.203 -15.542 -0.440 1.00 40.51 H new ATOM 0 HH11 ARG A 559 17.459 -13.467 2.435 1.00 52.03 H new ATOM 0 HH12 ARG A 559 17.463 -11.995 1.459 1.00 52.03 H new ATOM 0 HH21 ARG A 559 17.265 -13.674 -1.582 1.00 74.25 H new ATOM 0 HH22 ARG A 559 17.357 -12.111 -0.762 1.00 74.25 H new ATOM 486 N GLY A 560 17.462 -20.391 4.298 1.00 30.23 N ATOM 487 CA GLY A 560 17.374 -21.495 5.233 1.00 23.31 C ATOM 488 C GLY A 560 17.084 -22.846 4.604 1.00 43.50 C ATOM 489 O GLY A 560 17.172 -23.031 3.379 1.00 32.23 O ATOM 0 H GLY A 560 18.404 -20.192 3.962 1.00 30.23 H new ATOM 0 HA2 GLY A 560 18.312 -21.561 5.783 1.00 23.31 H new ATOM 0 HA3 GLY A 560 16.593 -21.274 5.960 1.00 23.31 H new ATOM 493 N THR A 561 16.754 -23.799 5.462 1.00 43.53 N ATOM 494 CA THR A 561 16.553 -25.181 5.080 1.00 62.54 C ATOM 495 C THR A 561 15.084 -25.483 5.068 1.00 50.32 C ATOM 496 O THR A 561 14.352 -25.185 5.985 1.00 51.42 O ATOM 497 CB THR A 561 17.251 -26.160 6.059 1.00 61.31 C ATOM 498 OG1 THR A 561 18.657 -25.917 6.047 1.00 52.44 O ATOM 499 CG2 THR A 561 17.005 -27.612 5.693 1.00 44.14 C ATOM 0 H THR A 561 16.617 -23.627 6.458 1.00 43.53 H new ATOM 0 HA THR A 561 16.989 -25.317 4.090 1.00 62.54 H new ATOM 0 HB THR A 561 16.831 -25.986 7.050 1.00 61.31 H new ATOM 0 HG1 THR A 561 18.841 -25.042 6.449 1.00 52.44 H new ATOM 0 HG21 THR A 561 17.514 -28.259 6.408 1.00 44.14 H new ATOM 0 HG22 THR A 561 15.935 -27.817 5.717 1.00 44.14 H new ATOM 0 HG23 THR A 561 17.389 -27.805 4.691 1.00 44.14 H new ATOM 507 N VAL A 562 14.676 -26.087 3.986 1.00 64.45 N ATOM 508 CA VAL A 562 13.308 -26.520 3.752 1.00 74.15 C ATOM 509 C VAL A 562 13.386 -28.001 3.420 1.00 43.34 C ATOM 510 O VAL A 562 14.237 -28.412 2.644 1.00 4.43 O ATOM 511 CB VAL A 562 12.683 -25.751 2.560 1.00 43.34 C ATOM 512 CG1 VAL A 562 11.285 -26.268 2.225 1.00 0.24 C ATOM 513 CG2 VAL A 562 12.595 -24.259 2.859 1.00 12.43 C ATOM 0 H VAL A 562 15.302 -26.303 3.210 1.00 64.45 H new ATOM 0 HA VAL A 562 12.685 -26.329 4.626 1.00 74.15 H new ATOM 0 HB VAL A 562 13.337 -25.917 1.704 1.00 43.34 H new ATOM 0 HG11 VAL A 562 10.880 -25.704 1.385 1.00 0.24 H new ATOM 0 HG12 VAL A 562 11.341 -27.324 1.960 1.00 0.24 H new ATOM 0 HG13 VAL A 562 10.635 -26.145 3.091 1.00 0.24 H new ATOM 0 HG21 VAL A 562 12.153 -23.743 2.007 1.00 12.43 H new ATOM 0 HG22 VAL A 562 11.974 -24.101 3.741 1.00 12.43 H new ATOM 0 HG23 VAL A 562 13.595 -23.865 3.043 1.00 12.43 H new ATOM 523 N ILE A 563 12.500 -28.796 3.991 1.00 0.23 N ATOM 524 CA ILE A 563 12.430 -30.205 3.677 1.00 20.31 C ATOM 525 C ILE A 563 11.211 -30.383 2.772 1.00 72.14 C ATOM 526 O ILE A 563 10.182 -29.728 2.980 1.00 14.00 O ATOM 527 CB ILE A 563 12.373 -31.070 4.967 1.00 72.41 C ATOM 528 CG1 ILE A 563 13.140 -32.371 4.741 1.00 31.54 C ATOM 529 CG2 ILE A 563 10.932 -31.390 5.411 1.00 71.23 C ATOM 530 CD1 ILE A 563 13.736 -32.917 5.989 1.00 4.13 C ATOM 0 H ILE A 563 11.815 -28.484 4.679 1.00 0.23 H new ATOM 0 HA ILE A 563 13.325 -30.549 3.158 1.00 20.31 H new ATOM 0 HB ILE A 563 12.832 -30.487 5.766 1.00 72.41 H new ATOM 0 HG12 ILE A 563 12.467 -33.113 4.311 1.00 31.54 H new ATOM 0 HG13 ILE A 563 13.932 -32.198 4.012 1.00 31.54 H new ATOM 0 HG21 ILE A 563 10.956 -31.996 6.317 1.00 71.23 H new ATOM 0 HG22 ILE A 563 10.398 -30.461 5.611 1.00 71.23 H new ATOM 0 HG23 ILE A 563 10.421 -31.939 4.620 1.00 71.23 H new ATOM 0 HD11 ILE A 563 14.268 -33.841 5.764 1.00 4.13 H new ATOM 0 HD12 ILE A 563 14.432 -32.190 6.408 1.00 4.13 H new ATOM 0 HD13 ILE A 563 12.945 -33.120 6.711 1.00 4.13 H new ATOM 542 N VAL A 564 11.330 -31.193 1.731 1.00 65.51 N ATOM 543 CA VAL A 564 10.218 -31.388 0.798 1.00 72.13 C ATOM 544 C VAL A 564 9.993 -32.865 0.459 1.00 14.21 C ATOM 545 O VAL A 564 10.831 -33.490 -0.187 1.00 45.33 O ATOM 546 CB VAL A 564 10.439 -30.629 -0.540 1.00 14.51 C ATOM 547 CG1 VAL A 564 9.168 -30.677 -1.396 1.00 72.42 C ATOM 548 CG2 VAL A 564 10.819 -29.174 -0.281 1.00 51.12 C ATOM 0 H VAL A 564 12.173 -31.723 1.508 1.00 65.51 H new ATOM 0 HA VAL A 564 9.344 -30.991 1.314 1.00 72.13 H new ATOM 0 HB VAL A 564 11.254 -31.119 -1.073 1.00 14.51 H new ATOM 0 HG11 VAL A 564 9.338 -30.141 -2.330 1.00 72.42 H new ATOM 0 HG12 VAL A 564 8.915 -31.715 -1.614 1.00 72.42 H new ATOM 0 HG13 VAL A 564 8.346 -30.209 -0.854 1.00 72.42 H new ATOM 0 HG21 VAL A 564 10.969 -28.662 -1.232 1.00 51.12 H new ATOM 0 HG22 VAL A 564 10.020 -28.682 0.274 1.00 51.12 H new ATOM 0 HG23 VAL A 564 11.740 -29.137 0.300 1.00 51.12 H new ATOM 558 N PRO A 565 8.855 -33.437 0.880 1.00 63.41 N ATOM 559 CA PRO A 565 8.537 -34.803 0.460 1.00 63.14 C ATOM 560 C PRO A 565 8.117 -34.941 -0.971 1.00 53.41 C ATOM 561 O PRO A 565 7.631 -33.999 -1.582 1.00 22.34 O ATOM 562 CB PRO A 565 7.350 -35.174 1.363 1.00 12.43 C ATOM 563 CG PRO A 565 6.721 -33.897 1.687 1.00 53.25 C ATOM 564 CD PRO A 565 7.798 -32.878 1.738 1.00 51.44 C ATOM 0 HA PRO A 565 9.420 -35.436 0.546 1.00 63.14 H new ATOM 0 HB2 PRO A 565 6.655 -35.840 0.851 1.00 12.43 H new ATOM 0 HB3 PRO A 565 7.683 -35.692 2.263 1.00 12.43 H new ATOM 0 HG2 PRO A 565 5.977 -33.633 0.936 1.00 53.25 H new ATOM 0 HG3 PRO A 565 6.201 -33.956 2.643 1.00 53.25 H new ATOM 0 HD2 PRO A 565 7.452 -31.913 1.368 1.00 51.44 H new ATOM 0 HD3 PRO A 565 8.152 -32.721 2.757 1.00 51.44 H new ATOM 572 N PHE A 566 8.238 -36.158 -1.470 1.00 23.24 N ATOM 573 CA PHE A 566 7.753 -36.529 -2.778 1.00 54.31 C ATOM 574 C PHE A 566 7.153 -37.905 -2.678 1.00 74.23 C ATOM 575 O PHE A 566 7.385 -38.602 -1.694 1.00 41.25 O ATOM 576 CB PHE A 566 8.909 -36.568 -3.750 1.00 23.31 C ATOM 577 CG PHE A 566 9.981 -37.571 -3.385 1.00 14.11 C ATOM 578 CD1 PHE A 566 11.055 -37.195 -2.560 1.00 24.31 C ATOM 579 CD2 PHE A 566 9.932 -38.888 -3.879 1.00 34.21 C ATOM 580 CE1 PHE A 566 12.077 -38.122 -2.230 1.00 43.04 C ATOM 581 CE2 PHE A 566 10.946 -39.823 -3.554 1.00 62.24 C ATOM 582 CZ PHE A 566 12.022 -39.436 -2.733 1.00 50.54 C ATOM 0 H PHE A 566 8.684 -36.925 -0.966 1.00 23.24 H new ATOM 0 HA PHE A 566 7.012 -35.808 -3.125 1.00 54.31 H new ATOM 0 HB2 PHE A 566 8.528 -36.803 -4.744 1.00 23.31 H new ATOM 0 HB3 PHE A 566 9.357 -35.576 -3.807 1.00 23.31 H new ATOM 0 HD1 PHE A 566 11.103 -36.188 -2.173 1.00 24.31 H new ATOM 0 HD2 PHE A 566 9.112 -39.190 -4.513 1.00 34.21 H new ATOM 0 HE1 PHE A 566 12.896 -37.820 -1.594 1.00 43.04 H new ATOM 0 HE2 PHE A 566 10.893 -40.832 -3.936 1.00 62.24 H new ATOM 0 HZ PHE A 566 12.801 -40.143 -2.490 1.00 50.54 H new ATOM 592 N ARG A 567 6.413 -38.297 -3.706 1.00 73.12 N ATOM 593 CA ARG A 567 5.839 -39.638 -3.807 1.00 70.10 C ATOM 594 C ARG A 567 5.532 -39.903 -5.269 1.00 30.15 C ATOM 595 O ARG A 567 5.365 -38.952 -6.033 1.00 2.50 O ATOM 596 CB ARG A 567 4.571 -39.732 -2.950 1.00 32.22 C ATOM 597 CG ARG A 567 3.502 -38.693 -3.296 1.00 74.43 C ATOM 598 CD ARG A 567 2.606 -39.133 -4.437 1.00 43.24 C ATOM 599 NE ARG A 567 2.031 -40.481 -4.287 1.00 70.24 N ATOM 600 CZ ARG A 567 0.861 -40.795 -3.755 1.00 61.05 C ATOM 601 NH1 ARG A 567 0.055 -39.899 -3.238 1.00 62.45 N ATOM 602 NH2 ARG A 567 0.500 -42.046 -3.759 1.00 23.43 N ATOM 0 H ARG A 567 6.191 -37.694 -4.498 1.00 73.12 H new ATOM 0 HA ARG A 567 6.539 -40.387 -3.438 1.00 70.10 H new ATOM 0 HB2 ARG A 567 4.143 -40.728 -3.062 1.00 32.22 H new ATOM 0 HB3 ARG A 567 4.846 -39.619 -1.901 1.00 32.22 H new ATOM 0 HG2 ARG A 567 2.891 -38.498 -2.414 1.00 74.43 H new ATOM 0 HG3 ARG A 567 3.987 -37.754 -3.562 1.00 74.43 H new ATOM 0 HD2 ARG A 567 1.792 -38.415 -4.538 1.00 43.24 H new ATOM 0 HD3 ARG A 567 3.179 -39.099 -5.364 1.00 43.24 H new ATOM 0 HE ARG A 567 2.597 -41.257 -4.631 1.00 70.24 H new ATOM 0 HH11 ARG A 567 0.321 -38.914 -3.236 1.00 62.45 H new ATOM 0 HH12 ARG A 567 -0.838 -40.187 -2.838 1.00 62.45 H new ATOM 0 HH21 ARG A 567 1.114 -42.753 -4.165 1.00 23.43 H new ATOM 0 HH22 ARG A 567 -0.396 -42.319 -3.356 1.00 23.43 H new ATOM 616 N THR A 568 5.420 -41.162 -5.654 1.00 3.42 N ATOM 617 CA THR A 568 5.125 -41.524 -7.040 1.00 45.31 C ATOM 618 C THR A 568 3.607 -41.668 -7.198 1.00 64.51 C ATOM 619 O THR A 568 2.932 -42.138 -6.289 1.00 60.52 O ATOM 620 CB THR A 568 5.874 -42.818 -7.380 1.00 14.11 C ATOM 621 OG1 THR A 568 7.232 -42.670 -6.963 1.00 44.21 O ATOM 622 CG2 THR A 568 5.910 -43.101 -8.827 1.00 75.14 C ATOM 0 H THR A 568 5.529 -41.959 -5.027 1.00 3.42 H new ATOM 0 HA THR A 568 5.460 -40.754 -7.735 1.00 45.31 H new ATOM 0 HB THR A 568 5.350 -43.631 -6.877 1.00 14.11 H new ATOM 0 HG1 THR A 568 7.813 -43.204 -7.545 1.00 44.21 H new ATOM 0 HG21 THR A 568 6.454 -44.029 -9.003 1.00 75.14 H new ATOM 0 HG22 THR A 568 4.892 -43.200 -9.204 1.00 75.14 H new ATOM 0 HG23 THR A 568 6.411 -42.283 -9.345 1.00 75.14 H new ATOM 630 N VAL A 569 3.069 -41.179 -8.307 1.00 30.22 N ATOM 631 CA VAL A 569 1.643 -41.125 -8.568 1.00 54.30 C ATOM 632 C VAL A 569 1.496 -41.718 -9.924 1.00 14.30 C ATOM 633 O VAL A 569 2.009 -41.208 -10.905 1.00 71.44 O ATOM 634 CB VAL A 569 1.073 -39.680 -8.683 1.00 41.23 C ATOM 635 CG1 VAL A 569 -0.452 -39.719 -8.911 1.00 70.05 C ATOM 636 CG2 VAL A 569 1.368 -38.858 -7.467 1.00 70.50 C ATOM 0 H VAL A 569 3.631 -40.799 -9.069 1.00 30.22 H new ATOM 0 HA VAL A 569 1.118 -41.623 -7.752 1.00 54.30 H new ATOM 0 HB VAL A 569 1.565 -39.213 -9.536 1.00 41.23 H new ATOM 0 HG11 VAL A 569 -0.834 -38.701 -8.989 1.00 70.05 H new ATOM 0 HG12 VAL A 569 -0.668 -40.260 -9.832 1.00 70.05 H new ATOM 0 HG13 VAL A 569 -0.932 -40.224 -8.073 1.00 70.05 H new ATOM 0 HG21 VAL A 569 0.951 -37.859 -7.593 1.00 70.50 H new ATOM 0 HG22 VAL A 569 0.921 -39.330 -6.592 1.00 70.50 H new ATOM 0 HG23 VAL A 569 2.447 -38.786 -7.329 1.00 70.50 H new ATOM 646 N GLU A 570 0.809 -42.813 -9.967 1.00 24.31 N ATOM 647 CA GLU A 570 0.571 -43.500 -11.201 1.00 40.44 C ATOM 648 C GLU A 570 -0.603 -42.863 -11.948 1.00 1.25 C ATOM 649 O GLU A 570 -1.538 -42.353 -11.337 1.00 11.34 O ATOM 650 CB GLU A 570 0.386 -44.985 -10.919 1.00 4.12 C ATOM 651 CG GLU A 570 0.021 -45.400 -9.461 1.00 61.24 C ATOM 652 CD GLU A 570 -1.221 -44.717 -8.875 1.00 10.41 C ATOM 653 OE1 GLU A 570 -2.355 -45.147 -9.150 1.00 73.12 O ATOM 654 OE2 GLU A 570 -1.024 -43.795 -8.037 1.00 61.20 O ATOM 0 H GLU A 570 0.395 -43.259 -9.148 1.00 24.31 H new ATOM 0 HA GLU A 570 1.430 -43.406 -11.865 1.00 40.44 H new ATOM 0 HB2 GLU A 570 -0.395 -45.358 -11.581 1.00 4.12 H new ATOM 0 HB3 GLU A 570 1.308 -45.497 -11.194 1.00 4.12 H new ATOM 0 HG2 GLU A 570 -0.132 -46.479 -9.436 1.00 61.24 H new ATOM 0 HG3 GLU A 570 0.872 -45.184 -8.816 1.00 61.24 H new ATOM 661 N GLY A 571 -0.494 -42.818 -13.270 1.00 33.15 N ATOM 662 CA GLY A 571 -1.524 -42.214 -14.104 1.00 3.31 C ATOM 663 C GLY A 571 -2.276 -43.314 -14.814 1.00 52.33 C ATOM 664 O GLY A 571 -3.360 -43.701 -14.401 1.00 75.41 O ATOM 0 H GLY A 571 0.300 -43.194 -13.788 1.00 33.15 H new ATOM 0 HA2 GLY A 571 -2.206 -41.623 -13.493 1.00 3.31 H new ATOM 0 HA3 GLY A 571 -1.074 -41.535 -14.828 1.00 3.31 H new ATOM 668 N THR A 572 -1.657 -43.874 -15.843 1.00 61.40 N ATOM 669 CA THR A 572 -2.119 -45.141 -16.395 1.00 23.31 C ATOM 670 C THR A 572 -0.947 -46.082 -16.168 1.00 71.33 C ATOM 671 O THR A 572 0.102 -45.920 -16.777 1.00 64.32 O ATOM 672 CB THR A 572 -2.527 -45.045 -17.902 1.00 13.42 C ATOM 673 OG1 THR A 572 -2.449 -46.335 -18.506 1.00 72.15 O ATOM 674 CG2 THR A 572 -1.643 -44.083 -18.693 1.00 33.44 C ATOM 0 H THR A 572 -0.842 -43.477 -16.309 1.00 61.40 H new ATOM 0 HA THR A 572 -3.034 -45.486 -15.914 1.00 23.31 H new ATOM 0 HB THR A 572 -3.547 -44.662 -17.927 1.00 13.42 H new ATOM 0 HG1 THR A 572 -2.707 -46.271 -19.449 1.00 72.15 H new ATOM 0 HG21 THR A 572 -1.972 -44.057 -19.732 1.00 33.44 H new ATOM 0 HG22 THR A 572 -1.717 -43.084 -18.263 1.00 33.44 H new ATOM 0 HG23 THR A 572 -0.608 -44.421 -18.649 1.00 33.44 H new ATOM 682 N ALA A 573 -1.134 -47.032 -15.265 1.00 13.52 N ATOM 683 CA ALA A 573 -0.110 -47.989 -14.861 1.00 41.03 C ATOM 684 C ALA A 573 -0.819 -48.821 -13.816 1.00 45.32 C ATOM 685 O ALA A 573 -1.838 -48.373 -13.285 1.00 33.10 O ATOM 686 CB ALA A 573 1.109 -47.276 -14.214 1.00 22.32 C ATOM 0 H ALA A 573 -2.022 -47.164 -14.780 1.00 13.52 H new ATOM 0 HA ALA A 573 0.281 -48.561 -15.702 1.00 41.03 H new ATOM 0 HB1 ALA A 573 1.853 -48.018 -13.925 1.00 22.32 H new ATOM 0 HB2 ALA A 573 1.548 -46.583 -14.931 1.00 22.32 H new ATOM 0 HB3 ALA A 573 0.783 -46.726 -13.331 1.00 22.32 H new ATOM 692 N LYS A 574 -0.276 -49.972 -13.444 1.00 24.21 N ATOM 693 CA LYS A 574 -0.826 -50.716 -12.341 1.00 73.51 C ATOM 694 C LYS A 574 -0.087 -50.235 -11.066 1.00 74.13 C ATOM 695 O LYS A 574 -0.648 -50.230 -9.970 1.00 24.41 O ATOM 696 CB LYS A 574 -0.695 -52.195 -12.678 1.00 61.04 C ATOM 697 CG LYS A 574 -0.294 -53.043 -11.582 1.00 34.45 C ATOM 698 CD LYS A 574 -1.406 -53.299 -10.559 1.00 41.33 C ATOM 699 CE LYS A 574 -0.839 -53.967 -9.316 1.00 60.35 C ATOM 700 NZ LYS A 574 -0.478 -55.396 -9.576 1.00 72.54 N ATOM 0 H LYS A 574 0.536 -50.400 -13.890 1.00 24.21 H new ATOM 0 HA LYS A 574 -1.888 -50.554 -12.156 1.00 73.51 H new ATOM 0 HB2 LYS A 574 -1.652 -52.550 -13.059 1.00 61.04 H new ATOM 0 HB3 LYS A 574 0.030 -52.304 -13.485 1.00 61.04 H new ATOM 0 HG2 LYS A 574 0.047 -53.998 -11.980 1.00 34.45 H new ATOM 0 HG3 LYS A 574 0.556 -52.587 -11.074 1.00 34.45 H new ATOM 0 HD2 LYS A 574 -1.883 -52.357 -10.288 1.00 41.33 H new ATOM 0 HD3 LYS A 574 -2.176 -53.931 -11.000 1.00 41.33 H new ATOM 0 HE2 LYS A 574 0.044 -53.423 -8.980 1.00 60.35 H new ATOM 0 HE3 LYS A 574 -1.570 -53.917 -8.509 1.00 60.35 H new ATOM 0 HZ1 LYS A 574 0.456 -55.598 -9.166 1.00 72.54 H new ATOM 0 HZ2 LYS A 574 -1.189 -56.018 -9.141 1.00 72.54 H new ATOM 0 HZ3 LYS A 574 -0.450 -55.566 -10.602 1.00 72.54 H new ATOM 714 N GLY A 575 1.133 -49.740 -11.243 1.00 62.45 N ATOM 715 CA GLY A 575 1.882 -49.129 -10.149 1.00 34.11 C ATOM 716 C GLY A 575 2.243 -50.047 -8.991 1.00 52.12 C ATOM 717 O GLY A 575 2.181 -51.273 -9.089 1.00 55.32 O ATOM 0 H GLY A 575 1.626 -49.750 -12.136 1.00 62.45 H new ATOM 0 HA2 GLY A 575 2.803 -48.711 -10.555 1.00 34.11 H new ATOM 0 HA3 GLY A 575 1.299 -48.296 -9.757 1.00 34.11 H new ATOM 721 N GLY A 576 2.635 -49.447 -7.874 1.00 54.22 N ATOM 722 CA GLY A 576 2.984 -50.212 -6.686 1.00 21.11 C ATOM 723 C GLY A 576 4.397 -50.741 -6.763 1.00 4.32 C ATOM 724 O GLY A 576 5.334 -50.020 -6.449 1.00 75.23 O ATOM 0 H GLY A 576 2.719 -48.436 -7.767 1.00 54.22 H new ATOM 0 HA2 GLY A 576 2.878 -49.583 -5.803 1.00 21.11 H new ATOM 0 HA3 GLY A 576 2.289 -51.044 -6.570 1.00 21.11 H new ATOM 728 N GLY A 577 4.534 -52.013 -7.111 1.00 71.20 N ATOM 729 CA GLY A 577 5.824 -52.627 -7.402 1.00 20.21 C ATOM 730 C GLY A 577 5.829 -53.212 -8.796 1.00 32.35 C ATOM 731 O GLY A 577 6.648 -54.067 -9.082 1.00 41.24 O ATOM 0 H GLY A 577 3.746 -52.654 -7.200 1.00 71.20 H new ATOM 0 HA2 GLY A 577 6.616 -51.884 -7.310 1.00 20.21 H new ATOM 0 HA3 GLY A 577 6.034 -53.409 -6.672 1.00 20.21 H new ATOM 735 N GLU A 578 4.830 -52.865 -9.597 1.00 72.43 N ATOM 736 CA GLU A 578 4.620 -53.504 -10.902 1.00 44.21 C ATOM 737 C GLU A 578 5.223 -52.748 -12.087 1.00 54.43 C ATOM 738 O GLU A 578 5.861 -53.328 -12.937 1.00 24.13 O ATOM 739 CB GLU A 578 3.122 -53.630 -11.135 1.00 51.11 C ATOM 740 CG GLU A 578 2.708 -54.775 -12.033 1.00 5.11 C ATOM 741 CD GLU A 578 1.985 -55.884 -11.259 1.00 2.32 C ATOM 742 OE1 GLU A 578 2.299 -56.099 -10.061 1.00 15.21 O ATOM 743 OE2 GLU A 578 0.956 -56.387 -11.766 1.00 5.42 O ATOM 0 H GLU A 578 4.147 -52.142 -9.370 1.00 72.43 H new ATOM 0 HA GLU A 578 5.129 -54.467 -10.858 1.00 44.21 H new ATOM 0 HB2 GLU A 578 2.628 -53.748 -10.170 1.00 51.11 H new ATOM 0 HB3 GLU A 578 2.757 -52.698 -11.568 1.00 51.11 H new ATOM 0 HG2 GLU A 578 2.055 -54.399 -12.821 1.00 5.11 H new ATOM 0 HG3 GLU A 578 3.590 -55.190 -12.520 1.00 5.11 H new ATOM 750 N ASP A 579 4.960 -51.449 -12.143 1.00 70.33 N ATOM 751 CA ASP A 579 5.429 -50.582 -13.239 1.00 75.34 C ATOM 752 C ASP A 579 6.685 -49.842 -12.791 1.00 3.30 C ATOM 753 O ASP A 579 7.637 -49.599 -13.528 1.00 32.03 O ATOM 754 CB ASP A 579 4.323 -49.567 -13.530 1.00 44.24 C ATOM 755 CG ASP A 579 4.689 -48.601 -14.635 1.00 30.02 C ATOM 756 OD1 ASP A 579 5.252 -49.027 -15.652 1.00 21.04 O ATOM 757 OD2 ASP A 579 4.388 -47.391 -14.479 1.00 10.42 O ATOM 0 H ASP A 579 4.416 -50.957 -11.434 1.00 70.33 H new ATOM 0 HA ASP A 579 5.658 -51.170 -14.128 1.00 75.34 H new ATOM 0 HB2 ASP A 579 3.412 -50.098 -13.805 1.00 44.24 H new ATOM 0 HB3 ASP A 579 4.103 -49.006 -12.622 1.00 44.24 H new ATOM 762 N PHE A 580 6.677 -49.514 -11.517 1.00 40.25 N ATOM 763 CA PHE A 580 7.770 -48.833 -10.868 1.00 70.13 C ATOM 764 C PHE A 580 7.573 -49.227 -9.430 1.00 43.22 C ATOM 765 O PHE A 580 6.505 -49.732 -9.076 1.00 41.12 O ATOM 766 CB PHE A 580 7.642 -47.312 -11.023 1.00 3.14 C ATOM 767 CG PHE A 580 6.300 -46.784 -10.598 1.00 52.50 C ATOM 768 CD1 PHE A 580 5.984 -46.628 -9.235 1.00 22.51 C ATOM 769 CD2 PHE A 580 5.333 -46.463 -11.556 1.00 13.23 C ATOM 770 CE1 PHE A 580 4.714 -46.184 -8.830 1.00 64.35 C ATOM 771 CE2 PHE A 580 4.060 -46.009 -11.167 1.00 5.33 C ATOM 772 CZ PHE A 580 3.754 -45.868 -9.795 1.00 74.31 C ATOM 0 H PHE A 580 5.895 -49.718 -10.894 1.00 40.25 H new ATOM 0 HA PHE A 580 8.747 -49.092 -11.275 1.00 70.13 H new ATOM 0 HB2 PHE A 580 8.420 -46.827 -10.433 1.00 3.14 H new ATOM 0 HB3 PHE A 580 7.818 -47.043 -12.065 1.00 3.14 H new ATOM 0 HD1 PHE A 580 6.731 -46.853 -8.488 1.00 22.51 H new ATOM 0 HD2 PHE A 580 5.566 -46.565 -12.606 1.00 13.23 H new ATOM 0 HE1 PHE A 580 4.481 -46.088 -7.780 1.00 64.35 H new ATOM 0 HE2 PHE A 580 3.319 -45.769 -11.915 1.00 5.33 H new ATOM 0 HZ PHE A 580 2.779 -45.516 -9.492 1.00 74.31 H new ATOM 782 N GLU A 581 8.552 -48.940 -8.595 1.00 51.21 N ATOM 783 CA GLU A 581 8.387 -49.082 -7.152 1.00 33.44 C ATOM 784 C GLU A 581 8.048 -47.707 -6.604 1.00 21.51 C ATOM 785 O GLU A 581 8.763 -46.745 -6.888 1.00 13.41 O ATOM 786 CB GLU A 581 9.658 -49.626 -6.509 1.00 5.41 C ATOM 787 CG GLU A 581 9.925 -51.078 -6.880 1.00 14.14 C ATOM 788 CD GLU A 581 11.204 -51.621 -6.251 1.00 4.11 C ATOM 789 OE1 GLU A 581 11.897 -50.873 -5.527 1.00 42.05 O ATOM 790 OE2 GLU A 581 11.567 -52.779 -6.558 1.00 33.43 O ATOM 0 H GLU A 581 9.471 -48.607 -8.885 1.00 51.21 H new ATOM 0 HA GLU A 581 7.592 -49.792 -6.925 1.00 33.44 H new ATOM 0 HB2 GLU A 581 10.507 -49.014 -6.816 1.00 5.41 H new ATOM 0 HB3 GLU A 581 9.578 -49.540 -5.425 1.00 5.41 H new ATOM 0 HG2 GLU A 581 9.081 -51.691 -6.563 1.00 14.14 H new ATOM 0 HG3 GLU A 581 9.993 -51.165 -7.964 1.00 14.14 H new ATOM 797 N ASP A 582 6.931 -47.597 -5.883 1.00 23.02 N ATOM 798 CA ASP A 582 6.479 -46.299 -5.358 1.00 55.41 C ATOM 799 C ASP A 582 7.523 -45.708 -4.474 1.00 23.22 C ATOM 800 O ASP A 582 7.865 -46.201 -3.395 1.00 73.35 O ATOM 801 CB ASP A 582 5.170 -46.384 -4.598 1.00 51.53 C ATOM 802 CG ASP A 582 4.621 -44.995 -4.175 1.00 35.31 C ATOM 803 OD1 ASP A 582 5.229 -43.943 -4.499 1.00 41.15 O ATOM 804 OD2 ASP A 582 3.558 -44.969 -3.516 1.00 12.10 O ATOM 0 H ASP A 582 6.324 -48.382 -5.648 1.00 23.02 H new ATOM 0 HA ASP A 582 6.309 -45.662 -6.226 1.00 55.41 H new ATOM 0 HB2 ASP A 582 4.429 -46.888 -5.218 1.00 51.53 H new ATOM 0 HB3 ASP A 582 5.312 -46.998 -3.709 1.00 51.53 H new ATOM 809 N ALA A 583 8.068 -44.654 -5.015 1.00 2.25 N ATOM 810 CA ALA A 583 9.188 -43.991 -4.452 1.00 64.33 C ATOM 811 C ALA A 583 8.756 -42.721 -3.748 1.00 53.43 C ATOM 812 O ALA A 583 8.356 -41.741 -4.387 1.00 52.04 O ATOM 813 CB ALA A 583 10.129 -43.714 -5.524 1.00 51.13 C ATOM 0 H ALA A 583 7.730 -44.230 -5.879 1.00 2.25 H new ATOM 0 HA ALA A 583 9.667 -44.620 -3.701 1.00 64.33 H new ATOM 0 HB1 ALA A 583 11.002 -43.203 -5.119 1.00 51.13 H new ATOM 0 HB2 ALA A 583 10.439 -44.651 -5.987 1.00 51.13 H new ATOM 0 HB3 ALA A 583 9.652 -43.080 -6.272 1.00 51.13 H new ATOM 819 N TYR A 584 8.844 -42.739 -2.432 1.00 22.54 N ATOM 820 CA TYR A 584 8.486 -41.592 -1.620 1.00 75.43 C ATOM 821 C TYR A 584 9.523 -41.375 -0.534 1.00 64.41 C ATOM 822 O TYR A 584 10.055 -42.326 0.034 1.00 11.04 O ATOM 823 CB TYR A 584 7.088 -41.792 -1.021 1.00 21.21 C ATOM 824 CG TYR A 584 6.846 -43.176 -0.454 1.00 33.35 C ATOM 825 CD1 TYR A 584 7.226 -43.515 0.859 1.00 24.34 C ATOM 826 CD2 TYR A 584 6.218 -44.159 -1.243 1.00 43.52 C ATOM 827 CE1 TYR A 584 6.993 -44.827 1.366 1.00 33.23 C ATOM 828 CE2 TYR A 584 5.982 -45.461 -0.749 1.00 15.43 C ATOM 829 CZ TYR A 584 6.372 -45.786 0.551 1.00 33.31 C ATOM 830 OH TYR A 584 6.147 -47.049 1.042 1.00 12.10 O ATOM 0 H TYR A 584 9.165 -43.546 -1.897 1.00 22.54 H new ATOM 0 HA TYR A 584 8.464 -40.700 -2.246 1.00 75.43 H new ATOM 0 HB2 TYR A 584 6.935 -41.056 -0.231 1.00 21.21 H new ATOM 0 HB3 TYR A 584 6.343 -41.592 -1.791 1.00 21.21 H new ATOM 0 HD1 TYR A 584 7.698 -42.774 1.488 1.00 24.34 H new ATOM 0 HD2 TYR A 584 5.910 -43.912 -2.248 1.00 43.52 H new ATOM 0 HE1 TYR A 584 7.293 -45.081 2.372 1.00 33.23 H new ATOM 0 HE2 TYR A 584 5.503 -46.200 -1.373 1.00 15.43 H new ATOM 0 HH TYR A 584 5.708 -47.594 0.355 1.00 12.10 H new ATOM 840 N GLY A 585 9.832 -40.118 -0.262 1.00 61.42 N ATOM 841 CA GLY A 585 10.809 -39.799 0.763 1.00 21.02 C ATOM 842 C GLY A 585 10.834 -38.306 0.955 1.00 2.32 C ATOM 843 O GLY A 585 9.993 -37.622 0.384 1.00 23.21 O ATOM 0 H GLY A 585 9.425 -39.310 -0.732 1.00 61.42 H new ATOM 0 HA2 GLY A 585 10.552 -40.296 1.698 1.00 21.02 H new ATOM 0 HA3 GLY A 585 11.795 -40.159 0.471 1.00 21.02 H new ATOM 847 N GLU A 586 11.786 -37.792 1.724 1.00 20.24 N ATOM 848 CA GLU A 586 11.926 -36.350 1.926 1.00 63.21 C ATOM 849 C GLU A 586 13.287 -35.877 1.459 1.00 11.31 C ATOM 850 O GLU A 586 14.268 -36.612 1.504 1.00 51.03 O ATOM 851 CB GLU A 586 11.736 -35.963 3.393 1.00 33.12 C ATOM 852 CG GLU A 586 10.279 -35.913 3.807 1.00 11.05 C ATOM 853 CD GLU A 586 10.028 -35.051 5.035 1.00 35.30 C ATOM 854 OE1 GLU A 586 10.839 -35.058 5.979 1.00 11.55 O ATOM 855 OE2 GLU A 586 8.994 -34.339 5.038 1.00 13.01 O ATOM 0 H GLU A 586 12.477 -38.353 2.222 1.00 20.24 H new ATOM 0 HA GLU A 586 11.146 -35.867 1.337 1.00 63.21 H new ATOM 0 HB2 GLU A 586 12.263 -36.679 4.023 1.00 33.12 H new ATOM 0 HB3 GLU A 586 12.192 -34.988 3.568 1.00 33.12 H new ATOM 0 HG2 GLU A 586 9.686 -35.530 2.976 1.00 11.05 H new ATOM 0 HG3 GLU A 586 9.931 -36.926 4.007 1.00 11.05 H new ATOM 862 N LEU A 587 13.319 -34.639 0.995 1.00 54.32 N ATOM 863 CA LEU A 587 14.512 -34.028 0.438 1.00 71.24 C ATOM 864 C LEU A 587 14.892 -32.802 1.249 1.00 3.10 C ATOM 865 O LEU A 587 14.083 -31.898 1.426 1.00 73.31 O ATOM 866 CB LEU A 587 14.208 -33.584 -0.986 1.00 11.53 C ATOM 867 CG LEU A 587 13.705 -34.652 -1.958 1.00 61.31 C ATOM 868 CD1 LEU A 587 13.103 -33.966 -3.153 1.00 75.03 C ATOM 869 CD2 LEU A 587 14.793 -35.598 -2.409 1.00 62.52 C ATOM 0 H LEU A 587 12.506 -34.023 0.995 1.00 54.32 H new ATOM 0 HA LEU A 587 15.330 -34.748 0.457 1.00 71.24 H new ATOM 0 HB2 LEU A 587 13.462 -32.790 -0.941 1.00 11.53 H new ATOM 0 HB3 LEU A 587 15.114 -33.146 -1.404 1.00 11.53 H new ATOM 0 HG LEU A 587 12.963 -35.256 -1.435 1.00 61.31 H new ATOM 0 HD11 LEU A 587 12.739 -34.714 -3.857 1.00 75.03 H new ATOM 0 HD12 LEU A 587 12.273 -33.336 -2.831 1.00 75.03 H new ATOM 0 HD13 LEU A 587 13.860 -33.349 -3.638 1.00 75.03 H new ATOM 0 HD21 LEU A 587 14.374 -36.333 -3.097 1.00 62.52 H new ATOM 0 HD22 LEU A 587 15.579 -35.035 -2.913 1.00 62.52 H new ATOM 0 HD23 LEU A 587 15.212 -36.110 -1.543 1.00 62.52 H new ATOM 881 N GLU A 588 16.115 -32.773 1.735 1.00 50.12 N ATOM 882 CA GLU A 588 16.617 -31.659 2.543 1.00 1.31 C ATOM 883 C GLU A 588 17.284 -30.576 1.679 1.00 63.34 C ATOM 884 O GLU A 588 18.439 -30.687 1.282 1.00 22.40 O ATOM 885 CB GLU A 588 17.606 -32.171 3.611 1.00 32.12 C ATOM 886 CG GLU A 588 18.286 -33.531 3.308 1.00 4.32 C ATOM 887 CD GLU A 588 19.185 -33.495 2.075 1.00 35.42 C ATOM 888 OE1 GLU A 588 20.359 -33.088 2.199 1.00 0.33 O ATOM 889 OE2 GLU A 588 18.716 -33.865 0.974 1.00 14.34 O ATOM 0 H GLU A 588 16.797 -33.517 1.586 1.00 50.12 H new ATOM 0 HA GLU A 588 15.759 -31.204 3.037 1.00 1.31 H new ATOM 0 HB2 GLU A 588 18.384 -31.420 3.747 1.00 32.12 H new ATOM 0 HB3 GLU A 588 17.075 -32.256 4.559 1.00 32.12 H new ATOM 0 HG2 GLU A 588 18.878 -33.834 4.172 1.00 4.32 H new ATOM 0 HG3 GLU A 588 17.517 -34.290 3.166 1.00 4.32 H new ATOM 896 N PHE A 589 16.551 -29.512 1.401 1.00 70.13 N ATOM 897 CA PHE A 589 17.083 -28.401 0.602 1.00 11.05 C ATOM 898 C PHE A 589 17.671 -27.336 1.512 1.00 41.04 C ATOM 899 O PHE A 589 16.942 -26.678 2.250 1.00 52.50 O ATOM 900 CB PHE A 589 15.981 -27.739 -0.219 1.00 14.53 C ATOM 901 CG PHE A 589 15.430 -28.598 -1.309 1.00 13.33 C ATOM 902 CD1 PHE A 589 14.440 -29.559 -1.039 1.00 40.40 C ATOM 903 CD2 PHE A 589 15.865 -28.421 -2.634 1.00 21.12 C ATOM 904 CE1 PHE A 589 13.887 -30.322 -2.076 1.00 14.22 C ATOM 905 CE2 PHE A 589 15.307 -29.182 -3.676 1.00 11.51 C ATOM 906 CZ PHE A 589 14.316 -30.139 -3.383 1.00 63.43 C ATOM 0 H PHE A 589 15.588 -29.386 1.712 1.00 70.13 H new ATOM 0 HA PHE A 589 17.845 -28.814 -0.059 1.00 11.05 H new ATOM 0 HB2 PHE A 589 15.168 -27.453 0.449 1.00 14.53 H new ATOM 0 HB3 PHE A 589 16.372 -26.821 -0.658 1.00 14.53 H new ATOM 0 HD1 PHE A 589 14.103 -29.710 -0.024 1.00 40.40 H new ATOM 0 HD2 PHE A 589 16.634 -27.695 -2.853 1.00 21.12 H new ATOM 0 HE1 PHE A 589 13.124 -31.055 -1.857 1.00 14.22 H new ATOM 0 HE2 PHE A 589 15.636 -29.034 -4.694 1.00 11.51 H new ATOM 0 HZ PHE A 589 13.889 -30.732 -4.178 1.00 63.43 H new ATOM 916 N LYS A 590 18.970 -27.105 1.404 1.00 1.21 N ATOM 917 CA LYS A 590 19.652 -26.058 2.159 1.00 65.45 C ATOM 918 C LYS A 590 19.959 -24.934 1.178 1.00 53.23 C ATOM 919 O LYS A 590 19.680 -25.054 -0.007 1.00 41.02 O ATOM 920 CB LYS A 590 20.926 -26.625 2.800 1.00 51.41 C ATOM 921 CG LYS A 590 20.637 -27.502 4.026 1.00 71.13 C ATOM 922 CD LYS A 590 21.553 -28.713 4.103 1.00 50.54 C ATOM 923 CE LYS A 590 20.976 -29.882 3.305 1.00 42.34 C ATOM 924 NZ LYS A 590 21.978 -30.971 3.098 1.00 40.53 N ATOM 0 H LYS A 590 19.585 -27.638 0.789 1.00 1.21 H new ATOM 0 HA LYS A 590 19.035 -25.677 2.972 1.00 65.45 H new ATOM 0 HB2 LYS A 590 21.469 -27.212 2.059 1.00 51.41 H new ATOM 0 HB3 LYS A 590 21.577 -25.801 3.094 1.00 51.41 H new ATOM 0 HG2 LYS A 590 20.752 -26.905 4.931 1.00 71.13 H new ATOM 0 HG3 LYS A 590 19.600 -27.836 3.994 1.00 71.13 H new ATOM 0 HD2 LYS A 590 22.539 -28.454 3.716 1.00 50.54 H new ATOM 0 HD3 LYS A 590 21.686 -29.008 5.144 1.00 50.54 H new ATOM 0 HE2 LYS A 590 20.108 -30.284 3.828 1.00 42.34 H new ATOM 0 HE3 LYS A 590 20.627 -29.522 2.337 1.00 42.34 H new ATOM 0 HZ1 LYS A 590 21.539 -31.750 2.567 1.00 40.53 H new ATOM 0 HZ2 LYS A 590 22.788 -30.600 2.562 1.00 40.53 H new ATOM 0 HZ3 LYS A 590 22.305 -31.322 4.021 1.00 40.53 H new ATOM 938 N ASN A 591 20.468 -23.832 1.701 1.00 44.04 N ATOM 939 CA ASN A 591 20.704 -22.592 0.956 1.00 53.43 C ATOM 940 C ASN A 591 21.212 -22.713 -0.490 1.00 65.24 C ATOM 941 O ASN A 591 20.525 -22.278 -1.395 1.00 62.34 O ATOM 942 CB ASN A 591 21.680 -21.735 1.762 1.00 72.30 C ATOM 943 CG ASN A 591 21.895 -20.376 1.160 1.00 75.50 C ATOM 944 OD1 ASN A 591 23.009 -19.911 1.067 1.00 41.33 O ATOM 945 ND2 ASN A 591 20.837 -19.728 0.776 1.00 23.01 N ATOM 0 H ASN A 591 20.738 -23.766 2.682 1.00 44.04 H new ATOM 0 HA ASN A 591 19.716 -22.147 0.840 1.00 53.43 H new ATOM 0 HB2 ASN A 591 21.303 -21.622 2.778 1.00 72.30 H new ATOM 0 HB3 ASN A 591 22.637 -22.252 1.833 1.00 72.30 H new ATOM 0 HD21 ASN A 591 20.928 -18.793 0.379 1.00 23.01 H new ATOM 0 HD22 ASN A 591 19.915 -20.154 0.871 1.00 23.01 H new ATOM 952 N ASP A 592 22.404 -23.260 -0.699 1.00 43.12 N ATOM 953 CA ASP A 592 22.968 -23.399 -2.060 1.00 20.12 C ATOM 954 C ASP A 592 22.405 -24.650 -2.746 1.00 60.32 C ATOM 955 O ASP A 592 22.180 -24.702 -3.948 1.00 72.50 O ATOM 956 CB ASP A 592 24.487 -23.515 -1.968 1.00 64.31 C ATOM 957 CG ASP A 592 25.165 -23.355 -3.311 1.00 24.11 C ATOM 958 OD1 ASP A 592 24.824 -22.400 -4.038 1.00 74.43 O ATOM 959 OD2 ASP A 592 26.074 -24.153 -3.616 1.00 30.21 O ATOM 0 H ASP A 592 23.005 -23.616 0.044 1.00 43.12 H new ATOM 0 HA ASP A 592 22.696 -22.521 -2.646 1.00 20.12 H new ATOM 0 HB2 ASP A 592 24.865 -22.757 -1.282 1.00 64.31 H new ATOM 0 HB3 ASP A 592 24.749 -24.485 -1.546 1.00 64.31 H new ATOM 964 N GLU A 593 22.120 -25.625 -1.897 1.00 3.44 N ATOM 965 CA GLU A 593 21.510 -26.935 -2.196 1.00 40.43 C ATOM 966 C GLU A 593 20.147 -26.974 -2.906 1.00 41.34 C ATOM 967 O GLU A 593 19.390 -27.932 -2.750 1.00 1.31 O ATOM 968 CB GLU A 593 21.537 -27.844 -0.975 1.00 3.53 C ATOM 969 CG GLU A 593 22.953 -28.205 -0.559 1.00 54.23 C ATOM 970 CD GLU A 593 22.975 -29.303 0.476 1.00 24.32 C ATOM 971 OE1 GLU A 593 22.292 -30.329 0.274 1.00 24.15 O ATOM 972 OE2 GLU A 593 23.608 -29.118 1.535 1.00 21.41 O ATOM 0 H GLU A 593 22.320 -25.525 -0.902 1.00 3.44 H new ATOM 0 HA GLU A 593 22.166 -27.317 -2.978 1.00 40.43 H new ATOM 0 HB2 GLU A 593 21.031 -27.350 -0.145 1.00 3.53 H new ATOM 0 HB3 GLU A 593 20.980 -28.756 -1.191 1.00 3.53 H new ATOM 0 HG2 GLU A 593 23.519 -28.521 -1.435 1.00 54.23 H new ATOM 0 HG3 GLU A 593 23.450 -27.321 -0.160 1.00 54.23 H new ATOM 979 N THR A 594 19.745 -25.874 -3.515 1.00 73.20 N ATOM 980 CA THR A 594 18.398 -25.720 -4.063 1.00 65.34 C ATOM 981 C THR A 594 18.202 -26.579 -5.302 1.00 51.12 C ATOM 982 O THR A 594 17.105 -26.634 -5.850 1.00 43.11 O ATOM 983 CB THR A 594 18.205 -24.288 -4.598 1.00 50.40 C ATOM 984 OG1 THR A 594 19.159 -24.035 -5.633 1.00 44.32 O ATOM 985 CG2 THR A 594 18.414 -23.272 -3.539 1.00 21.33 C ATOM 0 H THR A 594 20.340 -25.056 -3.647 1.00 73.20 H new ATOM 0 HA THR A 594 17.715 -25.985 -3.256 1.00 65.34 H new ATOM 0 HB THR A 594 17.182 -24.214 -4.968 1.00 50.40 H new ATOM 0 HG1 THR A 594 19.036 -23.125 -5.976 1.00 44.32 H new ATOM 0 HG21 THR A 594 18.269 -22.276 -3.957 1.00 21.33 H new ATOM 0 HG22 THR A 594 17.699 -23.435 -2.732 1.00 21.33 H new ATOM 0 HG23 THR A 594 19.428 -23.357 -3.148 1.00 21.33 H new ATOM 993 N VAL A 595 19.241 -27.312 -5.668 1.00 10.13 N ATOM 994 CA VAL A 595 19.175 -28.319 -6.712 1.00 40.42 C ATOM 995 C VAL A 595 19.247 -29.672 -6.006 1.00 14.21 C ATOM 996 O VAL A 595 20.209 -29.958 -5.292 1.00 63.30 O ATOM 997 CB VAL A 595 20.364 -28.192 -7.702 1.00 22.12 C ATOM 998 CG1 VAL A 595 20.042 -28.919 -9.015 1.00 43.22 C ATOM 999 CG2 VAL A 595 20.690 -26.710 -7.968 1.00 73.04 C ATOM 0 H VAL A 595 20.164 -27.223 -5.243 1.00 10.13 H new ATOM 0 HA VAL A 595 18.259 -28.201 -7.292 1.00 40.42 H new ATOM 0 HB VAL A 595 21.241 -28.659 -7.254 1.00 22.12 H new ATOM 0 HG11 VAL A 595 20.884 -28.822 -9.700 1.00 43.22 H new ATOM 0 HG12 VAL A 595 19.859 -29.974 -8.811 1.00 43.22 H new ATOM 0 HG13 VAL A 595 19.154 -28.478 -9.467 1.00 43.22 H new ATOM 0 HG21 VAL A 595 21.526 -26.641 -8.664 1.00 73.04 H new ATOM 0 HG22 VAL A 595 19.818 -26.217 -8.398 1.00 73.04 H new ATOM 0 HG23 VAL A 595 20.957 -26.222 -7.031 1.00 73.04 H new ATOM 1009 N LYS A 596 18.218 -30.484 -6.171 1.00 73.51 N ATOM 1010 CA LYS A 596 18.158 -31.808 -5.549 1.00 32.24 C ATOM 1011 C LYS A 596 17.499 -32.716 -6.556 1.00 25.34 C ATOM 1012 O LYS A 596 17.059 -32.243 -7.590 1.00 1.04 O ATOM 1013 CB LYS A 596 17.338 -31.740 -4.255 1.00 22.30 C ATOM 1014 CG LYS A 596 17.530 -32.905 -3.268 1.00 22.12 C ATOM 1015 CD LYS A 596 18.950 -33.038 -2.729 1.00 75.14 C ATOM 1016 CE LYS A 596 19.311 -31.849 -1.861 1.00 33.31 C ATOM 1017 NZ LYS A 596 20.341 -32.186 -0.814 1.00 21.20 N ATOM 0 H LYS A 596 17.401 -30.252 -6.736 1.00 73.51 H new ATOM 0 HA LYS A 596 19.149 -32.177 -5.284 1.00 32.24 H new ATOM 0 HB2 LYS A 596 17.585 -30.811 -3.741 1.00 22.30 H new ATOM 0 HB3 LYS A 596 16.282 -31.686 -4.521 1.00 22.30 H new ATOM 0 HG2 LYS A 596 16.846 -32.773 -2.430 1.00 22.12 H new ATOM 0 HG3 LYS A 596 17.252 -33.836 -3.763 1.00 22.12 H new ATOM 0 HD2 LYS A 596 19.039 -33.957 -2.150 1.00 75.14 H new ATOM 0 HD3 LYS A 596 19.653 -33.115 -3.559 1.00 75.14 H new ATOM 0 HE2 LYS A 596 19.690 -31.045 -2.492 1.00 33.31 H new ATOM 0 HE3 LYS A 596 18.411 -31.474 -1.373 1.00 33.31 H new ATOM 0 HZ1 LYS A 596 20.577 -31.331 -0.271 1.00 21.20 H new ATOM 0 HZ2 LYS A 596 19.959 -32.910 -0.172 1.00 21.20 H new ATOM 0 HZ3 LYS A 596 21.199 -32.550 -1.276 1.00 21.20 H new ATOM 1031 N THR A 597 17.422 -34.002 -6.277 1.00 42.43 N ATOM 1032 CA THR A 597 16.845 -34.944 -7.205 1.00 63.33 C ATOM 1033 C THR A 597 15.977 -35.976 -6.506 1.00 62.21 C ATOM 1034 O THR A 597 16.186 -36.282 -5.339 1.00 31.55 O ATOM 1035 CB THR A 597 17.985 -35.687 -7.878 1.00 31.22 C ATOM 1036 OG1 THR A 597 19.210 -35.383 -7.204 1.00 11.15 O ATOM 1037 CG2 THR A 597 18.149 -35.307 -9.343 1.00 53.02 C ATOM 0 H THR A 597 17.756 -34.417 -5.407 1.00 42.43 H new ATOM 0 HA THR A 597 16.225 -34.392 -7.911 1.00 63.33 H new ATOM 0 HB THR A 597 17.747 -36.749 -7.824 1.00 31.22 H new ATOM 0 HG1 THR A 597 19.948 -35.862 -7.635 1.00 11.15 H new ATOM 0 HG21 THR A 597 18.978 -35.868 -9.774 1.00 53.02 H new ATOM 0 HG22 THR A 597 17.232 -35.541 -9.884 1.00 53.02 H new ATOM 0 HG23 THR A 597 18.354 -34.239 -9.421 1.00 53.02 H new ATOM 1045 N ILE A 598 15.029 -36.528 -7.250 1.00 63.42 N ATOM 1046 CA ILE A 598 14.160 -37.609 -6.773 1.00 2.23 C ATOM 1047 C ILE A 598 14.473 -38.802 -7.622 1.00 53.24 C ATOM 1048 O ILE A 598 14.573 -38.665 -8.822 1.00 72.12 O ATOM 1049 CB ILE A 598 12.660 -37.267 -6.946 1.00 23.22 C ATOM 1050 CG1 ILE A 598 12.309 -36.174 -5.939 1.00 22.35 C ATOM 1051 CG2 ILE A 598 11.775 -38.545 -6.774 1.00 14.04 C ATOM 1052 CD1 ILE A 598 10.967 -35.514 -6.113 1.00 12.33 C ATOM 0 H ILE A 598 14.835 -36.240 -8.209 1.00 63.42 H new ATOM 0 HA ILE A 598 14.337 -37.779 -5.711 1.00 2.23 H new ATOM 0 HB ILE A 598 12.462 -36.899 -7.953 1.00 23.22 H new ATOM 0 HG12 ILE A 598 12.352 -36.604 -4.938 1.00 22.35 H new ATOM 0 HG13 ILE A 598 13.078 -35.403 -5.988 1.00 22.35 H new ATOM 0 HG21 ILE A 598 10.725 -38.280 -6.900 1.00 14.04 H new ATOM 0 HG22 ILE A 598 12.055 -39.285 -7.524 1.00 14.04 H new ATOM 0 HG23 ILE A 598 11.927 -38.962 -5.778 1.00 14.04 H new ATOM 0 HD11 ILE A 598 10.831 -34.757 -5.341 1.00 12.33 H new ATOM 0 HD12 ILE A 598 10.917 -35.044 -7.095 1.00 12.33 H new ATOM 0 HD13 ILE A 598 10.180 -36.263 -6.029 1.00 12.33 H new ATOM 1064 N ARG A 599 14.611 -39.959 -6.993 1.00 50.31 N ATOM 1065 CA ARG A 599 14.897 -41.215 -7.692 1.00 24.22 C ATOM 1066 C ARG A 599 13.743 -42.201 -7.545 1.00 43.11 C ATOM 1067 O ARG A 599 13.209 -42.352 -6.452 1.00 34.12 O ATOM 1068 CB ARG A 599 16.169 -41.846 -7.125 1.00 1.44 C ATOM 1069 CG ARG A 599 17.395 -41.193 -7.682 1.00 44.23 C ATOM 1070 CD ARG A 599 18.680 -41.877 -7.305 1.00 64.14 C ATOM 1071 NE ARG A 599 19.781 -41.188 -7.995 1.00 41.21 N ATOM 1072 CZ ARG A 599 21.003 -41.659 -8.190 1.00 32.41 C ATOM 1073 NH1 ARG A 599 21.385 -42.836 -7.754 1.00 22.00 N ATOM 1074 NH2 ARG A 599 21.846 -40.918 -8.844 1.00 20.21 N ATOM 0 H ARG A 599 14.529 -40.060 -5.981 1.00 50.31 H new ATOM 0 HA ARG A 599 15.031 -40.988 -8.750 1.00 24.22 H new ATOM 0 HB2 ARG A 599 16.169 -41.757 -6.039 1.00 1.44 H new ATOM 0 HB3 ARG A 599 16.184 -42.911 -7.357 1.00 1.44 H new ATOM 0 HG2 ARG A 599 17.316 -41.164 -8.769 1.00 44.23 H new ATOM 0 HG3 ARG A 599 17.431 -40.159 -7.338 1.00 44.23 H new ATOM 0 HD2 ARG A 599 18.827 -41.844 -6.225 1.00 64.14 H new ATOM 0 HD3 ARG A 599 18.650 -42.929 -7.591 1.00 64.14 H new ATOM 0 HE ARG A 599 19.584 -40.256 -8.359 1.00 41.21 H new ATOM 0 HH11 ARG A 599 20.730 -43.427 -7.242 1.00 22.00 H new ATOM 0 HH12 ARG A 599 22.337 -43.160 -7.927 1.00 22.00 H new ATOM 0 HH21 ARG A 599 21.559 -40.003 -9.190 1.00 20.21 H new ATOM 0 HH22 ARG A 599 22.795 -41.252 -9.011 1.00 20.21 H new ATOM 1088 N VAL A 600 13.387 -42.868 -8.636 1.00 34.54 N ATOM 1089 CA VAL A 600 12.317 -43.885 -8.640 1.00 72.23 C ATOM 1090 C VAL A 600 12.825 -45.108 -9.409 1.00 73.11 C ATOM 1091 O VAL A 600 13.338 -44.953 -10.515 1.00 53.23 O ATOM 1092 CB VAL A 600 11.023 -43.353 -9.352 1.00 71.02 C ATOM 1093 CG1 VAL A 600 9.915 -44.363 -9.325 1.00 33.21 C ATOM 1094 CG2 VAL A 600 10.583 -42.013 -8.758 1.00 3.11 C ATOM 0 H VAL A 600 13.825 -42.727 -9.546 1.00 34.54 H new ATOM 0 HA VAL A 600 12.066 -44.133 -7.609 1.00 72.23 H new ATOM 0 HB VAL A 600 11.270 -43.186 -10.401 1.00 71.02 H new ATOM 0 HG11 VAL A 600 9.038 -43.955 -9.828 1.00 33.21 H new ATOM 0 HG12 VAL A 600 10.237 -45.270 -9.836 1.00 33.21 H new ATOM 0 HG13 VAL A 600 9.663 -44.599 -8.291 1.00 33.21 H new ATOM 0 HG21 VAL A 600 9.685 -41.666 -9.269 1.00 3.11 H new ATOM 0 HG22 VAL A 600 10.372 -42.138 -7.696 1.00 3.11 H new ATOM 0 HG23 VAL A 600 11.379 -41.279 -8.886 1.00 3.11 H new ATOM 1104 N LYS A 601 12.715 -46.304 -8.837 1.00 22.02 N ATOM 1105 CA LYS A 601 13.165 -47.522 -9.529 1.00 62.04 C ATOM 1106 C LYS A 601 12.081 -47.959 -10.501 1.00 34.42 C ATOM 1107 O LYS A 601 10.915 -48.032 -10.121 1.00 50.31 O ATOM 1108 CB LYS A 601 13.436 -48.662 -8.537 1.00 40.32 C ATOM 1109 CG LYS A 601 14.319 -49.779 -9.128 1.00 33.33 C ATOM 1110 CD LYS A 601 13.884 -51.184 -8.699 1.00 70.34 C ATOM 1111 CE LYS A 601 12.779 -51.724 -9.612 1.00 31.33 C ATOM 1112 NZ LYS A 601 12.364 -53.126 -9.269 1.00 51.32 N ATOM 0 H LYS A 601 12.324 -46.462 -7.908 1.00 22.02 H new ATOM 0 HA LYS A 601 14.093 -47.299 -10.055 1.00 62.04 H new ATOM 0 HB2 LYS A 601 13.920 -48.256 -7.649 1.00 40.32 H new ATOM 0 HB3 LYS A 601 12.486 -49.089 -8.215 1.00 40.32 H new ATOM 0 HG2 LYS A 601 14.295 -49.715 -10.216 1.00 33.33 H new ATOM 0 HG3 LYS A 601 15.352 -49.616 -8.822 1.00 33.33 H new ATOM 0 HD2 LYS A 601 14.741 -51.857 -8.724 1.00 70.34 H new ATOM 0 HD3 LYS A 601 13.529 -51.159 -7.669 1.00 70.34 H new ATOM 0 HE2 LYS A 601 11.910 -51.068 -9.548 1.00 31.33 H new ATOM 0 HE3 LYS A 601 13.124 -51.696 -10.646 1.00 31.33 H new ATOM 0 HZ1 LYS A 601 11.702 -53.478 -9.990 1.00 51.32 H new ATOM 0 HZ2 LYS A 601 13.203 -53.739 -9.240 1.00 51.32 H new ATOM 0 HZ3 LYS A 601 11.898 -53.133 -8.339 1.00 51.32 H new ATOM 1126 N ILE A 602 12.459 -48.262 -11.731 1.00 61.43 N ATOM 1127 CA ILE A 602 11.512 -48.722 -12.745 1.00 21.55 C ATOM 1128 C ILE A 602 11.563 -50.242 -12.732 1.00 74.21 C ATOM 1129 O ILE A 602 12.644 -50.819 -12.673 1.00 43.42 O ATOM 1130 CB ILE A 602 11.871 -48.190 -14.163 1.00 62.42 C ATOM 1131 CG1 ILE A 602 12.133 -46.664 -14.118 1.00 30.12 C ATOM 1132 CG2 ILE A 602 10.731 -48.541 -15.167 1.00 62.22 C ATOM 1133 CD1 ILE A 602 10.957 -45.813 -13.631 1.00 74.30 C ATOM 0 H ILE A 602 13.423 -48.198 -12.058 1.00 61.43 H new ATOM 0 HA ILE A 602 10.514 -48.347 -12.517 1.00 21.55 H new ATOM 0 HB ILE A 602 12.786 -48.673 -14.505 1.00 62.42 H new ATOM 0 HG12 ILE A 602 12.988 -46.478 -13.469 1.00 30.12 H new ATOM 0 HG13 ILE A 602 12.413 -46.330 -15.117 1.00 30.12 H new ATOM 0 HG21 ILE A 602 10.990 -48.165 -16.157 1.00 62.22 H new ATOM 0 HG22 ILE A 602 10.605 -49.623 -15.211 1.00 62.22 H new ATOM 0 HG23 ILE A 602 9.800 -48.081 -14.836 1.00 62.22 H new ATOM 0 HD11 ILE A 602 11.242 -44.761 -13.637 1.00 74.30 H new ATOM 0 HD12 ILE A 602 10.103 -45.961 -14.292 1.00 74.30 H new ATOM 0 HD13 ILE A 602 10.688 -46.111 -12.618 1.00 74.30 H new ATOM 1145 N VAL A 603 10.402 -50.874 -12.701 1.00 43.23 N ATOM 1146 CA VAL A 603 10.304 -52.333 -12.627 1.00 73.45 C ATOM 1147 C VAL A 603 10.428 -52.895 -14.052 1.00 51.24 C ATOM 1148 O VAL A 603 10.060 -52.238 -15.019 1.00 11.42 O ATOM 1149 CB VAL A 603 8.977 -52.729 -11.929 1.00 50.15 C ATOM 1150 CG1 VAL A 603 8.789 -54.240 -11.861 1.00 75.11 C ATOM 1151 CG2 VAL A 603 8.959 -52.175 -10.484 1.00 73.25 C ATOM 0 H VAL A 603 9.500 -50.398 -12.726 1.00 43.23 H new ATOM 0 HA VAL A 603 11.108 -52.759 -12.028 1.00 73.45 H new ATOM 0 HB VAL A 603 8.167 -52.304 -12.522 1.00 50.15 H new ATOM 0 HG11 VAL A 603 7.846 -54.467 -11.364 1.00 75.11 H new ATOM 0 HG12 VAL A 603 8.775 -54.651 -12.871 1.00 75.11 H new ATOM 0 HG13 VAL A 603 9.611 -54.684 -11.300 1.00 75.11 H new ATOM 0 HG21 VAL A 603 8.025 -52.456 -9.998 1.00 73.25 H new ATOM 0 HG22 VAL A 603 9.798 -52.590 -9.925 1.00 73.25 H new ATOM 0 HG23 VAL A 603 9.042 -51.088 -10.510 1.00 73.25 H new ATOM 1295 N GLU A 612 3.143 -47.296 -20.035 1.00 63.12 N ATOM 1296 CA GLU A 612 2.662 -46.887 -18.737 1.00 22.12 C ATOM 1297 C GLU A 612 3.275 -45.537 -18.413 1.00 2.14 C ATOM 1298 O GLU A 612 4.332 -45.163 -18.932 1.00 12.51 O ATOM 1299 CB GLU A 612 2.957 -47.976 -17.710 1.00 54.31 C ATOM 1300 CG GLU A 612 2.042 -49.178 -17.948 1.00 0.23 C ATOM 1301 CD GLU A 612 2.296 -50.371 -17.041 1.00 62.34 C ATOM 1302 OE1 GLU A 612 1.864 -50.356 -15.855 1.00 33.33 O ATOM 1303 OE2 GLU A 612 2.689 -51.422 -17.609 1.00 34.44 O ATOM 0 HA GLU A 612 1.579 -46.762 -18.722 1.00 22.12 H new ATOM 0 HB2 GLU A 612 4.001 -48.283 -17.782 1.00 54.31 H new ATOM 0 HB3 GLU A 612 2.807 -47.588 -16.702 1.00 54.31 H new ATOM 0 HG2 GLU A 612 1.008 -48.858 -17.821 1.00 0.23 H new ATOM 0 HG3 GLU A 612 2.152 -49.499 -18.984 1.00 0.23 H new ATOM 1310 N ASN A 613 2.524 -44.753 -17.672 1.00 24.31 N ATOM 1311 CA ASN A 613 2.838 -43.359 -17.426 1.00 71.31 C ATOM 1312 C ASN A 613 2.545 -43.021 -15.987 1.00 63.35 C ATOM 1313 O ASN A 613 1.447 -43.286 -15.479 1.00 35.51 O ATOM 1314 CB ASN A 613 1.993 -42.471 -18.333 1.00 22.14 C ATOM 1315 CG ASN A 613 2.264 -41.003 -18.124 1.00 50.14 C ATOM 1316 OD1 ASN A 613 3.102 -40.420 -18.766 1.00 44.33 O ATOM 1317 ND2 ASN A 613 1.533 -40.403 -17.242 1.00 71.13 N ATOM 0 H ASN A 613 1.667 -45.067 -17.217 1.00 24.31 H new ATOM 0 HA ASN A 613 3.894 -43.190 -17.634 1.00 71.31 H new ATOM 0 HB2 ASN A 613 2.191 -42.728 -19.374 1.00 22.14 H new ATOM 0 HB3 ASN A 613 0.937 -42.671 -18.150 1.00 22.14 H new ATOM 0 HD21 ASN A 613 1.656 -39.405 -17.071 1.00 71.13 H new ATOM 0 HD22 ASN A 613 0.833 -40.928 -16.717 1.00 71.13 H new ATOM 1324 N PHE A 614 3.500 -42.378 -15.344 1.00 64.11 N ATOM 1325 CA PHE A 614 3.345 -41.972 -13.963 1.00 15.12 C ATOM 1326 C PHE A 614 3.979 -40.609 -13.804 1.00 31.41 C ATOM 1327 O PHE A 614 4.659 -40.123 -14.695 1.00 20.14 O ATOM 1328 CB PHE A 614 3.996 -42.999 -13.029 1.00 12.33 C ATOM 1329 CG PHE A 614 5.497 -42.925 -12.983 1.00 4.15 C ATOM 1330 CD1 PHE A 614 6.134 -42.095 -12.040 1.00 40.32 C ATOM 1331 CD2 PHE A 614 6.286 -43.696 -13.853 1.00 62.31 C ATOM 1332 CE1 PHE A 614 7.538 -42.037 -11.953 1.00 11.33 C ATOM 1333 CE2 PHE A 614 7.699 -43.644 -13.775 1.00 11.11 C ATOM 1334 CZ PHE A 614 8.318 -42.817 -12.817 1.00 61.43 C ATOM 0 H PHE A 614 4.396 -42.125 -15.760 1.00 64.11 H new ATOM 0 HA PHE A 614 2.289 -41.918 -13.697 1.00 15.12 H new ATOM 0 HB2 PHE A 614 3.605 -42.856 -12.022 1.00 12.33 H new ATOM 0 HB3 PHE A 614 3.702 -44.000 -13.346 1.00 12.33 H new ATOM 0 HD1 PHE A 614 5.535 -41.493 -11.372 1.00 40.32 H new ATOM 0 HD2 PHE A 614 5.812 -44.332 -14.586 1.00 62.31 H new ATOM 0 HE1 PHE A 614 8.011 -41.395 -11.225 1.00 11.33 H new ATOM 0 HE2 PHE A 614 8.301 -44.237 -14.448 1.00 11.11 H new ATOM 0 HZ PHE A 614 9.395 -42.784 -12.748 1.00 61.43 H new ATOM 1344 N PHE A 615 3.754 -39.987 -12.668 1.00 11.31 N ATOM 1345 CA PHE A 615 4.344 -38.702 -12.373 1.00 73.54 C ATOM 1346 C PHE A 615 4.691 -38.669 -10.899 1.00 43.33 C ATOM 1347 O PHE A 615 4.277 -39.524 -10.145 1.00 72.54 O ATOM 1348 CB PHE A 615 3.389 -37.560 -12.734 1.00 61.34 C ATOM 1349 CG PHE A 615 1.965 -37.987 -12.963 1.00 23.23 C ATOM 1350 CD1 PHE A 615 1.541 -38.389 -14.240 1.00 73.21 C ATOM 1351 CD2 PHE A 615 1.029 -37.957 -11.914 1.00 44.45 C ATOM 1352 CE1 PHE A 615 0.203 -38.775 -14.470 1.00 41.23 C ATOM 1353 CE2 PHE A 615 -0.317 -38.337 -12.137 1.00 74.55 C ATOM 1354 CZ PHE A 615 -0.727 -38.750 -13.417 1.00 11.10 C ATOM 0 H PHE A 615 3.159 -40.356 -11.926 1.00 11.31 H new ATOM 0 HA PHE A 615 5.245 -38.565 -12.971 1.00 73.54 H new ATOM 0 HB2 PHE A 615 3.409 -36.820 -11.934 1.00 61.34 H new ATOM 0 HB3 PHE A 615 3.756 -37.067 -13.634 1.00 61.34 H new ATOM 0 HD1 PHE A 615 2.248 -38.403 -15.057 1.00 73.21 H new ATOM 0 HD2 PHE A 615 1.339 -37.641 -10.929 1.00 44.45 H new ATOM 0 HE1 PHE A 615 -0.106 -39.090 -15.456 1.00 41.23 H new ATOM 0 HE2 PHE A 615 -1.028 -38.310 -11.324 1.00 74.55 H new ATOM 0 HZ PHE A 615 -1.751 -39.046 -13.590 1.00 11.10 H new ATOM 1364 N ILE A 616 5.464 -37.684 -10.484 1.00 52.43 N ATOM 1365 CA ILE A 616 5.874 -37.573 -9.085 1.00 42.40 C ATOM 1366 C ILE A 616 5.494 -36.186 -8.635 1.00 51.44 C ATOM 1367 O ILE A 616 5.893 -35.212 -9.257 1.00 62.22 O ATOM 1368 CB ILE A 616 7.418 -37.712 -8.930 1.00 51.33 C ATOM 1369 CG1 ILE A 616 7.964 -38.899 -9.754 1.00 24.21 C ATOM 1370 CG2 ILE A 616 7.810 -37.869 -7.446 1.00 1.00 C ATOM 1371 CD1 ILE A 616 9.470 -38.866 -9.891 1.00 51.23 C ATOM 0 H ILE A 616 5.824 -36.947 -11.090 1.00 52.43 H new ATOM 0 HA ILE A 616 5.396 -38.361 -8.502 1.00 42.40 H new ATOM 0 HB ILE A 616 7.867 -36.797 -9.315 1.00 51.33 H new ATOM 0 HG12 ILE A 616 7.666 -39.834 -9.279 1.00 24.21 H new ATOM 0 HG13 ILE A 616 7.512 -38.887 -10.746 1.00 24.21 H new ATOM 0 HG21 ILE A 616 8.893 -37.964 -7.364 1.00 1.00 H new ATOM 0 HG22 ILE A 616 7.479 -36.993 -6.888 1.00 1.00 H new ATOM 0 HG23 ILE A 616 7.335 -38.761 -7.037 1.00 1.00 H new ATOM 0 HD11 ILE A 616 9.801 -39.722 -10.479 1.00 51.23 H new ATOM 0 HD12 ILE A 616 9.770 -37.945 -10.391 1.00 51.23 H new ATOM 0 HD13 ILE A 616 9.926 -38.907 -8.902 1.00 51.23 H new ATOM 1383 N ALA A 617 4.710 -36.087 -7.577 1.00 71.01 N ATOM 1384 CA ALA A 617 4.273 -34.793 -7.074 1.00 62.14 C ATOM 1385 C ALA A 617 4.922 -34.597 -5.706 1.00 5.31 C ATOM 1386 O ALA A 617 4.999 -35.548 -4.917 1.00 44.21 O ATOM 1387 CB ALA A 617 2.750 -34.764 -6.962 1.00 71.40 C ATOM 0 H ALA A 617 4.362 -36.886 -7.048 1.00 71.01 H new ATOM 0 HA ALA A 617 4.567 -33.990 -7.749 1.00 62.14 H new ATOM 0 HB1 ALA A 617 2.431 -33.792 -6.585 1.00 71.40 H new ATOM 0 HB2 ALA A 617 2.310 -34.934 -7.944 1.00 71.40 H new ATOM 0 HB3 ALA A 617 2.421 -35.545 -6.277 1.00 71.40 H new ATOM 1393 N LEU A 618 5.375 -33.388 -5.405 1.00 55.14 N ATOM 1394 CA LEU A 618 5.882 -33.101 -4.075 1.00 24.34 C ATOM 1395 C LEU A 618 4.688 -33.031 -3.137 1.00 61.30 C ATOM 1396 O LEU A 618 3.596 -32.656 -3.549 1.00 24.14 O ATOM 1397 CB LEU A 618 6.658 -31.775 -4.035 1.00 71.43 C ATOM 1398 CG LEU A 618 7.958 -31.650 -4.861 1.00 72.02 C ATOM 1399 CD1 LEU A 618 8.693 -32.965 -5.001 1.00 72.12 C ATOM 1400 CD2 LEU A 618 7.679 -31.015 -6.185 1.00 71.23 C ATOM 0 H LEU A 618 5.401 -32.602 -6.055 1.00 55.14 H new ATOM 0 HA LEU A 618 6.577 -33.885 -3.774 1.00 24.34 H new ATOM 0 HB2 LEU A 618 5.981 -30.986 -4.363 1.00 71.43 H new ATOM 0 HB3 LEU A 618 6.907 -31.569 -2.994 1.00 71.43 H new ATOM 0 HG LEU A 618 8.633 -30.996 -4.309 1.00 72.02 H new ATOM 0 HD11 LEU A 618 9.598 -32.815 -5.591 1.00 72.12 H new ATOM 0 HD12 LEU A 618 8.962 -33.339 -4.013 1.00 72.12 H new ATOM 0 HD13 LEU A 618 8.050 -33.690 -5.501 1.00 72.12 H new ATOM 0 HD21 LEU A 618 8.606 -30.935 -6.753 1.00 71.23 H new ATOM 0 HD22 LEU A 618 6.966 -31.626 -6.738 1.00 71.23 H new ATOM 0 HD23 LEU A 618 7.261 -30.020 -6.031 1.00 71.23 H new ATOM 1412 N GLY A 619 4.909 -33.403 -1.885 1.00 41.12 N ATOM 1413 CA GLY A 619 3.849 -33.396 -0.891 1.00 72.40 C ATOM 1414 C GLY A 619 3.462 -31.983 -0.501 1.00 1.21 C ATOM 1415 O GLY A 619 2.510 -31.410 -1.009 1.00 55.53 O ATOM 0 H GLY A 619 5.815 -33.714 -1.534 1.00 41.12 H new ATOM 0 HA2 GLY A 619 2.977 -33.918 -1.284 1.00 72.40 H new ATOM 0 HA3 GLY A 619 4.175 -33.942 -0.006 1.00 72.40 H new ATOM 1419 N GLU A 620 4.255 -31.400 0.384 1.00 71.35 N ATOM 1420 CA GLU A 620 4.087 -30.012 0.780 1.00 31.11 C ATOM 1421 C GLU A 620 5.474 -29.566 1.263 1.00 13.10 C ATOM 1422 O GLU A 620 6.133 -30.263 2.037 1.00 35.15 O ATOM 1423 CB GLU A 620 3.009 -29.845 1.880 1.00 22.10 C ATOM 1424 CG GLU A 620 3.478 -30.204 3.280 1.00 73.41 C ATOM 1425 CD GLU A 620 2.383 -30.170 4.331 1.00 33.13 C ATOM 1426 OE1 GLU A 620 1.430 -29.373 4.204 1.00 43.14 O ATOM 1427 OE2 GLU A 620 2.523 -30.911 5.333 1.00 63.23 O ATOM 0 H GLU A 620 5.031 -31.874 0.846 1.00 71.35 H new ATOM 0 HA GLU A 620 3.731 -29.399 -0.048 1.00 31.11 H new ATOM 0 HB2 GLU A 620 2.665 -28.811 1.880 1.00 22.10 H new ATOM 0 HB3 GLU A 620 2.150 -30.467 1.627 1.00 22.10 H new ATOM 0 HG2 GLU A 620 3.916 -31.202 3.260 1.00 73.41 H new ATOM 0 HG3 GLU A 620 4.270 -29.515 3.574 1.00 73.41 H new ATOM 1434 N PRO A 621 5.984 -28.457 0.739 1.00 1.12 N ATOM 1435 CA PRO A 621 7.301 -28.024 1.207 1.00 3.42 C ATOM 1436 C PRO A 621 7.208 -27.441 2.630 1.00 54.01 C ATOM 1437 O PRO A 621 6.279 -26.700 2.945 1.00 0.44 O ATOM 1438 CB PRO A 621 7.697 -26.993 0.152 1.00 11.52 C ATOM 1439 CG PRO A 621 6.379 -26.411 -0.301 1.00 15.33 C ATOM 1440 CD PRO A 621 5.427 -27.562 -0.284 1.00 53.43 C ATOM 0 HA PRO A 621 8.039 -28.821 1.298 1.00 3.42 H new ATOM 0 HB2 PRO A 621 8.350 -26.226 0.568 1.00 11.52 H new ATOM 0 HB3 PRO A 621 8.235 -27.455 -0.676 1.00 11.52 H new ATOM 0 HG2 PRO A 621 6.048 -25.615 0.366 1.00 15.33 H new ATOM 0 HG3 PRO A 621 6.459 -25.979 -1.298 1.00 15.33 H new ATOM 0 HD2 PRO A 621 4.416 -27.242 -0.030 1.00 53.43 H new ATOM 0 HD3 PRO A 621 5.372 -28.051 -1.257 1.00 53.43 H new ATOM 1448 N LYS A 622 8.135 -27.816 3.505 1.00 74.42 N ATOM 1449 CA LYS A 622 8.088 -27.411 4.922 1.00 53.23 C ATOM 1450 C LYS A 622 9.418 -26.820 5.346 1.00 61.24 C ATOM 1451 O LYS A 622 10.452 -27.388 5.083 1.00 22.43 O ATOM 1452 CB LYS A 622 7.784 -28.634 5.794 1.00 41.41 C ATOM 1453 CG LYS A 622 6.423 -29.271 5.500 1.00 50.02 C ATOM 1454 CD LYS A 622 6.229 -30.617 6.192 1.00 1.22 C ATOM 1455 CE LYS A 622 7.098 -31.702 5.550 1.00 25.11 C ATOM 1456 NZ LYS A 622 6.727 -33.067 6.033 1.00 21.42 N ATOM 0 H LYS A 622 8.935 -28.402 3.265 1.00 74.42 H new ATOM 0 HA LYS A 622 7.307 -26.661 5.045 1.00 53.23 H new ATOM 0 HB2 LYS A 622 8.565 -29.380 5.645 1.00 41.41 H new ATOM 0 HB3 LYS A 622 7.820 -28.340 6.843 1.00 41.41 H new ATOM 0 HG2 LYS A 622 5.634 -28.589 5.817 1.00 50.02 H new ATOM 0 HG3 LYS A 622 6.316 -29.404 4.423 1.00 50.02 H new ATOM 0 HD2 LYS A 622 6.480 -30.525 7.249 1.00 1.22 H new ATOM 0 HD3 LYS A 622 5.180 -30.909 6.138 1.00 1.22 H new ATOM 0 HE2 LYS A 622 6.992 -31.659 4.466 1.00 25.11 H new ATOM 0 HE3 LYS A 622 8.147 -31.509 5.776 1.00 25.11 H new ATOM 0 HZ1 LYS A 622 7.465 -33.746 5.756 1.00 21.42 H new ATOM 0 HZ2 LYS A 622 6.638 -33.056 7.069 1.00 21.42 H new ATOM 0 HZ3 LYS A 622 5.820 -33.350 5.611 1.00 21.42 H new ATOM 1470 N TRP A 623 9.401 -25.709 6.050 1.00 4.11 N ATOM 1471 CA TRP A 623 10.639 -25.016 6.419 1.00 62.22 C ATOM 1472 C TRP A 623 11.191 -25.660 7.651 1.00 72.41 C ATOM 1473 O TRP A 623 10.647 -25.485 8.743 1.00 71.34 O ATOM 1474 CB TRP A 623 10.297 -23.569 6.755 1.00 23.04 C ATOM 1475 CG TRP A 623 11.357 -22.592 6.482 1.00 20.41 C ATOM 1476 CD1 TRP A 623 12.583 -22.781 5.926 1.00 50.01 C ATOM 1477 CD2 TRP A 623 11.291 -21.206 6.786 1.00 22.33 C ATOM 1478 NE1 TRP A 623 13.254 -21.607 5.798 1.00 2.40 N ATOM 1479 CE2 TRP A 623 12.488 -20.606 6.304 1.00 63.52 C ATOM 1480 CE3 TRP A 623 10.363 -20.416 7.470 1.00 10.04 C ATOM 1481 CZ2 TRP A 623 12.744 -19.235 6.432 1.00 72.02 C ATOM 1482 CZ3 TRP A 623 10.625 -19.080 7.664 1.00 60.14 C ATOM 1483 CH2 TRP A 623 11.810 -18.469 7.102 1.00 52.03 C ATOM 0 H TRP A 623 8.549 -25.258 6.383 1.00 4.11 H new ATOM 0 HA TRP A 623 11.360 -25.063 5.603 1.00 62.22 H new ATOM 0 HB2 TRP A 623 9.409 -23.283 6.191 1.00 23.04 H new ATOM 0 HB3 TRP A 623 10.036 -23.511 7.812 1.00 23.04 H new ATOM 0 HD1 TRP A 623 12.974 -23.742 5.625 1.00 50.01 H new ATOM 0 HE1 TRP A 623 14.182 -21.495 5.389 1.00 2.40 H new ATOM 0 HE3 TRP A 623 9.448 -20.851 7.843 1.00 10.04 H new ATOM 0 HZ2 TRP A 623 13.640 -18.793 6.022 1.00 72.02 H new ATOM 0 HZ3 TRP A 623 9.938 -18.480 8.243 1.00 60.14 H new ATOM 0 HH2 TRP A 623 11.966 -17.405 7.207 1.00 52.03 H new ATOM 1494 N MET A 624 12.310 -26.360 7.525 1.00 2.30 N ATOM 1495 CA MET A 624 13.005 -26.657 8.732 1.00 0.44 C ATOM 1496 C MET A 624 14.431 -26.162 8.741 1.00 63.23 C ATOM 1497 O MET A 624 15.417 -26.883 8.895 1.00 70.03 O ATOM 1498 CB MET A 624 13.251 -28.111 8.584 1.00 5.02 C ATOM 1499 CG MET A 624 12.080 -29.029 8.273 1.00 1.31 C ATOM 1500 SD MET A 624 11.012 -29.352 9.654 1.00 71.24 S ATOM 1501 CE MET A 624 10.216 -30.790 9.005 1.00 70.52 C ATOM 0 H MET A 624 12.720 -26.705 6.657 1.00 2.30 H new ATOM 0 HA MET A 624 12.446 -26.258 9.578 1.00 0.44 H new ATOM 0 HB2 MET A 624 13.990 -28.241 7.793 1.00 5.02 H new ATOM 0 HB3 MET A 624 13.708 -28.463 9.509 1.00 5.02 H new ATOM 0 HG2 MET A 624 11.491 -28.586 7.470 1.00 1.31 H new ATOM 0 HG3 MET A 624 12.467 -29.977 7.899 1.00 1.31 H new ATOM 0 HE1 MET A 624 9.491 -31.162 9.729 1.00 70.52 H new ATOM 0 HE2 MET A 624 9.705 -30.535 8.077 1.00 70.52 H new ATOM 0 HE3 MET A 624 10.961 -31.561 8.809 1.00 70.52 H new ATOM 1511 N GLU A 625 14.441 -24.913 9.023 1.00 30.02 N ATOM 1512 CA GLU A 625 15.439 -24.183 9.735 1.00 34.01 C ATOM 1513 C GLU A 625 14.632 -23.070 10.310 1.00 22.41 C ATOM 1514 O GLU A 625 14.870 -22.107 9.785 1.00 62.20 O ATOM 1515 CB GLU A 625 16.356 -23.643 8.619 1.00 72.02 C ATOM 1516 CG GLU A 625 17.462 -22.606 8.991 1.00 54.11 C ATOM 1517 CD GLU A 625 18.700 -22.651 8.106 1.00 52.03 C ATOM 1518 OE1 GLU A 625 18.981 -23.695 7.486 1.00 53.44 O ATOM 1519 OE2 GLU A 625 19.347 -21.592 7.963 1.00 70.51 O ATOM 0 H GLU A 625 13.673 -24.308 8.733 1.00 30.02 H new ATOM 0 HA GLU A 625 16.022 -24.711 10.490 1.00 34.01 H new ATOM 0 HB2 GLU A 625 16.848 -24.497 8.153 1.00 72.02 H new ATOM 0 HB3 GLU A 625 15.720 -23.189 7.860 1.00 72.02 H new ATOM 0 HG2 GLU A 625 17.033 -21.605 8.942 1.00 54.11 H new ATOM 0 HG3 GLU A 625 17.765 -22.773 10.025 1.00 54.11 H new ATOM 1526 N ARG A 626 14.025 -22.999 11.486 1.00 73.55 N ATOM 1527 CA ARG A 626 13.281 -21.736 11.922 1.00 44.25 C ATOM 1528 C ARG A 626 12.354 -22.119 13.054 1.00 63.43 C ATOM 1529 O ARG A 626 12.431 -21.568 14.136 1.00 53.21 O ATOM 1530 CB ARG A 626 12.359 -20.932 10.851 1.00 31.11 C ATOM 1531 CG ARG A 626 13.001 -20.244 9.641 1.00 72.45 C ATOM 1532 CD ARG A 626 14.125 -19.251 9.978 1.00 25.51 C ATOM 1533 NE ARG A 626 13.627 -18.025 10.628 1.00 54.52 N ATOM 1534 CZ ARG A 626 14.386 -16.996 10.993 1.00 34.23 C ATOM 1535 NH1 ARG A 626 15.685 -16.991 10.809 1.00 71.01 N ATOM 1536 NH2 ARG A 626 13.841 -15.955 11.545 1.00 60.22 N ATOM 0 H ARG A 626 14.009 -23.757 12.168 1.00 73.55 H new ATOM 0 HA ARG A 626 14.096 -21.049 12.151 1.00 44.25 H new ATOM 0 HB2 ARG A 626 11.621 -21.637 10.468 1.00 31.11 H new ATOM 0 HB3 ARG A 626 11.813 -20.168 11.405 1.00 31.11 H new ATOM 0 HG2 ARG A 626 13.401 -21.010 8.976 1.00 72.45 H new ATOM 0 HG3 ARG A 626 12.224 -19.716 9.088 1.00 72.45 H new ATOM 0 HD2 ARG A 626 14.848 -19.736 10.633 1.00 25.51 H new ATOM 0 HD3 ARG A 626 14.653 -18.983 9.063 1.00 25.51 H new ATOM 0 HE ARG A 626 12.626 -17.961 10.811 1.00 54.52 H new ATOM 0 HH11 ARG A 626 16.142 -17.793 10.374 1.00 71.01 H new ATOM 0 HH12 ARG A 626 16.238 -16.185 11.101 1.00 71.01 H new ATOM 0 HH21 ARG A 626 12.833 -15.928 11.698 1.00 60.22 H new ATOM 0 HH22 ARG A 626 14.421 -15.164 11.826 1.00 60.22 H new ATOM 1916 N GLY A 650 7.137 -17.705 6.782 1.00 64.22 N ATOM 1917 CA GLY A 650 8.041 -18.025 5.688 1.00 71.04 C ATOM 1918 C GLY A 650 7.642 -19.206 4.829 1.00 23.33 C ATOM 1919 O GLY A 650 8.488 -19.767 4.143 1.00 30.05 O ATOM 0 HA2 GLY A 650 8.131 -17.148 5.047 1.00 71.04 H new ATOM 0 HA3 GLY A 650 9.030 -18.219 6.103 1.00 71.04 H new ATOM 1923 N LYS A 651 6.390 -19.632 4.915 1.00 55.50 N ATOM 1924 CA LYS A 651 5.966 -20.901 4.318 1.00 3.03 C ATOM 1925 C LYS A 651 6.208 -20.972 2.808 1.00 31.42 C ATOM 1926 O LYS A 651 5.680 -20.155 2.054 1.00 73.14 O ATOM 1927 CB LYS A 651 4.480 -21.137 4.589 1.00 22.12 C ATOM 1928 CG LYS A 651 4.186 -21.403 6.058 1.00 52.40 C ATOM 1929 CD LYS A 651 2.706 -21.666 6.342 1.00 54.51 C ATOM 1930 CE LYS A 651 1.874 -20.388 6.241 1.00 54.14 C ATOM 1931 NZ LYS A 651 0.484 -20.598 6.775 1.00 41.43 N ATOM 0 H LYS A 651 5.646 -19.121 5.391 1.00 55.50 H new ATOM 0 HA LYS A 651 6.576 -21.675 4.785 1.00 3.03 H new ATOM 0 HB2 LYS A 651 3.912 -20.266 4.261 1.00 22.12 H new ATOM 0 HB3 LYS A 651 4.137 -21.984 3.995 1.00 22.12 H new ATOM 0 HG2 LYS A 651 4.770 -22.262 6.388 1.00 52.40 H new ATOM 0 HG3 LYS A 651 4.515 -20.548 6.648 1.00 52.40 H new ATOM 0 HD2 LYS A 651 2.326 -22.404 5.636 1.00 54.51 H new ATOM 0 HD3 LYS A 651 2.597 -22.093 7.339 1.00 54.51 H new ATOM 0 HE2 LYS A 651 2.363 -19.588 6.797 1.00 54.14 H new ATOM 0 HE3 LYS A 651 1.822 -20.067 5.201 1.00 54.14 H new ATOM 0 HZ1 LYS A 651 -0.057 -19.713 6.693 1.00 41.43 H new ATOM 0 HZ2 LYS A 651 0.011 -21.345 6.227 1.00 41.43 H new ATOM 0 HZ3 LYS A 651 0.535 -20.881 7.774 1.00 41.43 H new ATOM 1945 N PRO A 652 6.994 -21.967 2.359 1.00 64.50 N ATOM 1946 CA PRO A 652 7.185 -22.132 0.918 1.00 11.32 C ATOM 1947 C PRO A 652 5.939 -22.670 0.260 1.00 53.41 C ATOM 1948 O PRO A 652 5.048 -23.205 0.918 1.00 3.21 O ATOM 1949 CB PRO A 652 8.297 -23.171 0.827 1.00 54.10 C ATOM 1950 CG PRO A 652 8.160 -23.946 2.068 1.00 60.44 C ATOM 1951 CD PRO A 652 7.727 -23.004 3.113 1.00 1.55 C ATOM 0 HA PRO A 652 7.416 -21.190 0.420 1.00 11.32 H new ATOM 0 HB2 PRO A 652 8.182 -23.803 -0.053 1.00 54.10 H new ATOM 0 HB3 PRO A 652 9.278 -22.701 0.756 1.00 54.10 H new ATOM 0 HG2 PRO A 652 7.432 -24.748 1.945 1.00 60.44 H new ATOM 0 HG3 PRO A 652 9.107 -24.414 2.338 1.00 60.44 H new ATOM 0 HD2 PRO A 652 7.089 -23.489 3.852 1.00 1.55 H new ATOM 0 HD3 PRO A 652 8.576 -22.584 3.652 1.00 1.55 H new ATOM 1959 N VAL A 653 5.909 -22.565 -1.055 1.00 35.44 N ATOM 1960 CA VAL A 653 4.805 -23.099 -1.846 1.00 70.14 C ATOM 1961 C VAL A 653 5.347 -23.785 -3.094 1.00 34.34 C ATOM 1962 O VAL A 653 6.473 -23.526 -3.525 1.00 1.11 O ATOM 1963 CB VAL A 653 3.792 -21.978 -2.275 1.00 35.43 C ATOM 1964 CG1 VAL A 653 3.103 -21.365 -1.042 1.00 5.10 C ATOM 1965 CG2 VAL A 653 4.487 -20.871 -3.079 1.00 10.25 C ATOM 0 H VAL A 653 6.639 -22.113 -1.605 1.00 35.44 H new ATOM 0 HA VAL A 653 4.273 -23.815 -1.220 1.00 70.14 H new ATOM 0 HB VAL A 653 3.041 -22.447 -2.910 1.00 35.43 H new ATOM 0 HG11 VAL A 653 2.406 -20.591 -1.362 1.00 5.10 H new ATOM 0 HG12 VAL A 653 2.560 -22.142 -0.504 1.00 5.10 H new ATOM 0 HG13 VAL A 653 3.855 -20.927 -0.385 1.00 5.10 H new ATOM 0 HG21 VAL A 653 3.757 -20.112 -3.360 1.00 10.25 H new ATOM 0 HG22 VAL A 653 5.268 -20.415 -2.471 1.00 10.25 H new ATOM 0 HG23 VAL A 653 4.930 -21.298 -3.979 1.00 10.25 H new ATOM 1975 N LEU A 654 4.545 -24.668 -3.665 1.00 25.01 N ATOM 1976 CA LEU A 654 4.865 -25.297 -4.930 1.00 34.33 C ATOM 1977 C LEU A 654 4.716 -24.287 -6.065 1.00 33.01 C ATOM 1978 O LEU A 654 4.001 -23.299 -5.934 1.00 4.13 O ATOM 1979 CB LEU A 654 3.926 -26.481 -5.131 1.00 74.22 C ATOM 1980 CG LEU A 654 4.022 -27.508 -3.993 1.00 22.52 C ATOM 1981 CD1 LEU A 654 3.044 -28.628 -4.180 1.00 0.02 C ATOM 1982 CD2 LEU A 654 5.440 -28.037 -3.893 1.00 60.41 C ATOM 0 H LEU A 654 3.656 -24.967 -3.264 1.00 25.01 H new ATOM 0 HA LEU A 654 5.896 -25.649 -4.928 1.00 34.33 H new ATOM 0 HB2 LEU A 654 2.900 -26.119 -5.204 1.00 74.22 H new ATOM 0 HB3 LEU A 654 4.159 -26.969 -6.077 1.00 74.22 H new ATOM 0 HG LEU A 654 3.765 -27.009 -3.059 1.00 22.52 H new ATOM 0 HD11 LEU A 654 3.140 -29.336 -3.357 1.00 0.02 H new ATOM 0 HD12 LEU A 654 2.031 -28.227 -4.198 1.00 0.02 H new ATOM 0 HD13 LEU A 654 3.249 -29.137 -5.122 1.00 0.02 H new ATOM 0 HD21 LEU A 654 5.501 -28.765 -3.084 1.00 60.41 H new ATOM 0 HD22 LEU A 654 5.717 -28.515 -4.833 1.00 60.41 H new ATOM 0 HD23 LEU A 654 6.123 -27.212 -3.691 1.00 60.41 H new ATOM 1994 N GLY A 655 5.449 -24.528 -7.139 1.00 54.42 N ATOM 1995 CA GLY A 655 5.528 -23.588 -8.251 1.00 24.23 C ATOM 1996 C GLY A 655 4.803 -23.950 -9.522 1.00 62.21 C ATOM 1997 O GLY A 655 3.762 -24.589 -9.509 1.00 35.13 O ATOM 0 H GLY A 655 6.004 -25.374 -7.267 1.00 54.42 H new ATOM 0 HA2 GLY A 655 5.144 -22.627 -7.907 1.00 24.23 H new ATOM 0 HA3 GLY A 655 6.581 -23.442 -8.494 1.00 24.23 H new ATOM 2001 N GLU A 656 5.377 -23.504 -10.632 1.00 45.30 N ATOM 2002 CA GLU A 656 4.756 -23.632 -11.952 1.00 0.13 C ATOM 2003 C GLU A 656 4.573 -25.093 -12.360 1.00 61.14 C ATOM 2004 O GLU A 656 3.515 -25.485 -12.836 1.00 65.13 O ATOM 2005 CB GLU A 656 5.571 -22.914 -13.027 1.00 11.13 C ATOM 2006 CG GLU A 656 6.290 -21.636 -12.595 1.00 32.24 C ATOM 2007 CD GLU A 656 5.555 -20.797 -11.554 1.00 24.20 C ATOM 2008 OE1 GLU A 656 4.459 -20.280 -11.837 1.00 31.03 O ATOM 2009 OE2 GLU A 656 6.112 -20.656 -10.435 1.00 71.22 O ATOM 0 H GLU A 656 6.287 -23.043 -10.647 1.00 45.30 H new ATOM 0 HA GLU A 656 3.775 -23.165 -11.871 1.00 0.13 H new ATOM 0 HB2 GLU A 656 6.315 -23.610 -13.414 1.00 11.13 H new ATOM 0 HB3 GLU A 656 4.904 -22.668 -13.854 1.00 11.13 H new ATOM 0 HG2 GLU A 656 7.268 -21.906 -12.196 1.00 32.24 H new ATOM 0 HG3 GLU A 656 6.464 -21.020 -13.477 1.00 32.24 H new ATOM 2016 N HIS A 657 5.605 -25.906 -12.147 1.00 2.22 N ATOM 2017 CA HIS A 657 5.518 -27.347 -12.420 1.00 42.11 C ATOM 2018 C HIS A 657 6.240 -28.234 -11.403 1.00 53.22 C ATOM 2019 O HIS A 657 7.309 -28.761 -11.670 1.00 60.54 O ATOM 2020 CB HIS A 657 5.936 -27.731 -13.852 1.00 43.24 C ATOM 2021 CG HIS A 657 7.250 -27.182 -14.323 1.00 72.34 C ATOM 2022 ND1 HIS A 657 7.845 -25.964 -14.213 1.00 54.15 N flip ATOM 2023 CD2 HIS A 657 8.129 -27.931 -15.109 1.00 35.31 C flip ATOM 2024 CE1 HIS A 657 9.020 -25.995 -14.898 1.00 70.23 C flip ATOM 2025 NE2 HIS A 657 9.163 -27.174 -15.436 1.00 73.42 N flip ATOM 0 H HIS A 657 6.509 -25.598 -11.788 1.00 2.22 H new ATOM 0 HA HIS A 657 4.452 -27.549 -12.315 1.00 42.11 H new ATOM 0 HB2 HIS A 657 5.974 -28.818 -13.919 1.00 43.24 H new ATOM 0 HB3 HIS A 657 5.158 -27.397 -14.538 1.00 43.24 H new ATOM 0 HD2 HIS A 657 7.987 -28.961 -15.402 1.00 35.31 H new ATOM 0 HE1 HIS A 657 9.720 -25.177 -14.982 1.00 70.23 H new ATOM 0 HE2 HIS A 657 9.948 -27.466 -16.017 1.00 73.42 H new ATOM 2033 N PRO A 658 5.628 -28.451 -10.226 1.00 40.31 N ATOM 2034 CA PRO A 658 6.132 -29.344 -9.175 1.00 72.13 C ATOM 2035 C PRO A 658 5.870 -30.830 -9.470 1.00 75.22 C ATOM 2036 O PRO A 658 5.579 -31.624 -8.574 1.00 2.32 O ATOM 2037 CB PRO A 658 5.324 -28.893 -7.965 1.00 62.33 C ATOM 2038 CG PRO A 658 4.024 -28.528 -8.538 1.00 54.13 C ATOM 2039 CD PRO A 658 4.373 -27.808 -9.796 1.00 53.04 C ATOM 0 HA PRO A 658 7.214 -29.279 -9.058 1.00 72.13 H new ATOM 0 HB2 PRO A 658 5.228 -29.689 -7.227 1.00 62.33 H new ATOM 0 HB3 PRO A 658 5.793 -28.047 -7.462 1.00 62.33 H new ATOM 0 HG2 PRO A 658 3.415 -29.409 -8.739 1.00 54.13 H new ATOM 0 HG3 PRO A 658 3.453 -27.893 -7.860 1.00 54.13 H new ATOM 0 HD2 PRO A 658 3.591 -27.912 -10.548 1.00 53.04 H new ATOM 0 HD3 PRO A 658 4.508 -26.740 -9.623 1.00 53.04 H new ATOM 2047 N LYS A 659 5.904 -31.182 -10.743 1.00 54.04 N ATOM 2048 CA LYS A 659 5.624 -32.538 -11.191 1.00 30.32 C ATOM 2049 C LYS A 659 6.252 -32.755 -12.549 1.00 5.22 C ATOM 2050 O LYS A 659 6.392 -31.811 -13.316 1.00 45.01 O ATOM 2051 CB LYS A 659 4.115 -32.734 -11.279 1.00 74.31 C ATOM 2052 CG LYS A 659 3.695 -34.172 -11.526 1.00 53.42 C ATOM 2053 CD LYS A 659 2.404 -34.495 -10.804 1.00 51.31 C ATOM 2054 CE LYS A 659 1.240 -33.828 -11.454 1.00 62.35 C ATOM 2055 NZ LYS A 659 0.936 -34.400 -12.838 1.00 40.42 N ATOM 0 H LYS A 659 6.127 -30.535 -11.499 1.00 54.04 H new ATOM 0 HA LYS A 659 6.040 -33.257 -10.485 1.00 30.32 H new ATOM 0 HB2 LYS A 659 3.659 -32.387 -10.352 1.00 74.31 H new ATOM 0 HB3 LYS A 659 3.723 -32.108 -12.081 1.00 74.31 H new ATOM 0 HG2 LYS A 659 3.568 -34.338 -12.596 1.00 53.42 H new ATOM 0 HG3 LYS A 659 4.482 -34.847 -11.189 1.00 53.42 H new ATOM 0 HD2 LYS A 659 2.250 -35.574 -10.795 1.00 51.31 H new ATOM 0 HD3 LYS A 659 2.476 -34.175 -9.765 1.00 51.31 H new ATOM 0 HE2 LYS A 659 0.361 -33.937 -10.818 1.00 62.35 H new ATOM 0 HE3 LYS A 659 1.440 -32.760 -11.542 1.00 62.35 H new ATOM 0 HZ1 LYS A 659 -0.018 -34.109 -13.132 1.00 40.42 H new ATOM 0 HZ2 LYS A 659 1.633 -34.043 -13.522 1.00 40.42 H new ATOM 0 HZ3 LYS A 659 0.986 -35.438 -12.803 1.00 40.42 H new ATOM 2069 N LEU A 660 6.613 -33.995 -12.830 1.00 32.22 N ATOM 2070 CA LEU A 660 7.190 -34.386 -14.112 1.00 24.41 C ATOM 2071 C LEU A 660 6.410 -35.626 -14.544 1.00 45.45 C ATOM 2072 O LEU A 660 6.294 -36.554 -13.755 1.00 32.33 O ATOM 2073 CB LEU A 660 8.682 -34.751 -13.929 1.00 35.32 C ATOM 2074 CG LEU A 660 9.694 -34.494 -15.060 1.00 73.31 C ATOM 2075 CD1 LEU A 660 10.850 -35.499 -14.965 1.00 73.32 C ATOM 2076 CD2 LEU A 660 9.063 -34.547 -16.412 1.00 50.00 C ATOM 0 H LEU A 660 6.515 -34.768 -12.172 1.00 32.22 H new ATOM 0 HA LEU A 660 7.130 -33.583 -14.847 1.00 24.41 H new ATOM 0 HB2 LEU A 660 9.039 -34.214 -13.050 1.00 35.32 H new ATOM 0 HB3 LEU A 660 8.726 -35.814 -13.693 1.00 35.32 H new ATOM 0 HG LEU A 660 10.080 -33.483 -14.931 1.00 73.31 H new ATOM 0 HD11 LEU A 660 11.562 -35.311 -15.768 1.00 73.32 H new ATOM 0 HD12 LEU A 660 11.350 -35.388 -14.003 1.00 73.32 H new ATOM 0 HD13 LEU A 660 10.459 -36.513 -15.056 1.00 73.32 H new ATOM 0 HD21 LEU A 660 9.819 -34.359 -17.174 1.00 50.00 H new ATOM 0 HD22 LEU A 660 8.625 -35.532 -16.571 1.00 50.00 H new ATOM 0 HD23 LEU A 660 8.284 -33.788 -16.480 1.00 50.00 H new ATOM 2088 N GLU A 661 5.855 -35.629 -15.750 1.00 44.11 N ATOM 2089 CA GLU A 661 5.118 -36.788 -16.276 1.00 0.35 C ATOM 2090 C GLU A 661 6.075 -37.665 -17.066 1.00 25.12 C ATOM 2091 O GLU A 661 6.802 -37.166 -17.903 1.00 50.15 O ATOM 2092 CB GLU A 661 3.986 -36.300 -17.175 1.00 40.44 C ATOM 2093 CG GLU A 661 3.126 -37.402 -17.734 1.00 61.40 C ATOM 2094 CD GLU A 661 1.711 -36.920 -17.987 1.00 12.32 C ATOM 2095 OE1 GLU A 661 1.525 -35.973 -18.779 1.00 74.12 O ATOM 2096 OE2 GLU A 661 0.791 -37.424 -17.306 1.00 33.14 O ATOM 0 H GLU A 661 5.898 -34.838 -16.392 1.00 44.11 H new ATOM 0 HA GLU A 661 4.694 -37.367 -15.456 1.00 0.35 H new ATOM 0 HB2 GLU A 661 3.356 -35.614 -16.608 1.00 40.44 H new ATOM 0 HB3 GLU A 661 4.412 -35.732 -18.002 1.00 40.44 H new ATOM 0 HG2 GLU A 661 3.560 -37.769 -18.664 1.00 61.40 H new ATOM 0 HG3 GLU A 661 3.108 -38.241 -17.038 1.00 61.40 H new ATOM 2103 N VAL A 662 6.124 -38.949 -16.753 1.00 73.33 N ATOM 2104 CA VAL A 662 7.125 -39.869 -17.304 1.00 74.32 C ATOM 2105 C VAL A 662 6.412 -41.024 -17.953 1.00 33.54 C ATOM 2106 O VAL A 662 5.587 -41.682 -17.331 1.00 23.14 O ATOM 2107 CB VAL A 662 8.037 -40.455 -16.182 1.00 52.51 C ATOM 2108 CG1 VAL A 662 9.299 -41.119 -16.689 1.00 70.21 C ATOM 2109 CG2 VAL A 662 8.225 -39.493 -14.981 1.00 41.54 C ATOM 0 H VAL A 662 5.471 -39.392 -16.107 1.00 73.33 H new ATOM 0 HA VAL A 662 7.738 -39.316 -18.015 1.00 74.32 H new ATOM 0 HB VAL A 662 7.480 -41.293 -15.762 1.00 52.51 H new ATOM 0 HG11 VAL A 662 9.875 -41.499 -15.845 1.00 70.21 H new ATOM 0 HG12 VAL A 662 9.035 -41.945 -17.349 1.00 70.21 H new ATOM 0 HG13 VAL A 662 9.897 -40.392 -17.238 1.00 70.21 H new ATOM 0 HG21 VAL A 662 8.869 -39.961 -14.237 1.00 41.54 H new ATOM 0 HG22 VAL A 662 8.683 -38.566 -15.326 1.00 41.54 H new ATOM 0 HG23 VAL A 662 7.255 -39.274 -14.535 1.00 41.54 H new ATOM 2119 N ILE A 663 6.765 -41.272 -19.198 1.00 50.44 N ATOM 2120 CA ILE A 663 6.227 -42.383 -19.962 1.00 64.21 C ATOM 2121 C ILE A 663 7.342 -43.405 -19.973 1.00 74.13 C ATOM 2122 O ILE A 663 8.495 -43.055 -20.259 1.00 64.25 O ATOM 2123 CB ILE A 663 5.917 -41.968 -21.432 1.00 41.21 C ATOM 2124 CG1 ILE A 663 4.827 -40.872 -21.479 1.00 75.14 C ATOM 2125 CG2 ILE A 663 5.551 -43.208 -22.289 1.00 53.31 C ATOM 2126 CD1 ILE A 663 3.397 -41.363 -21.780 1.00 63.44 C ATOM 0 H ILE A 663 7.438 -40.705 -19.713 1.00 50.44 H new ATOM 0 HA ILE A 663 5.296 -42.748 -19.528 1.00 64.21 H new ATOM 0 HB ILE A 663 6.817 -41.535 -21.869 1.00 41.21 H new ATOM 0 HG12 ILE A 663 4.819 -40.353 -20.521 1.00 75.14 H new ATOM 0 HG13 ILE A 663 5.107 -40.140 -22.236 1.00 75.14 H new ATOM 0 HG21 ILE A 663 5.339 -42.894 -23.311 1.00 53.31 H new ATOM 0 HG22 ILE A 663 6.386 -43.908 -22.291 1.00 53.31 H new ATOM 0 HG23 ILE A 663 4.671 -43.694 -21.868 1.00 53.31 H new ATOM 0 HD11 ILE A 663 2.715 -40.513 -21.789 1.00 63.44 H new ATOM 0 HD12 ILE A 663 3.378 -41.854 -22.753 1.00 63.44 H new ATOM 0 HD13 ILE A 663 3.086 -42.070 -21.011 1.00 63.44 H new ATOM 2138 N ILE A 664 7.014 -44.648 -19.679 1.00 65.32 N ATOM 2139 CA ILE A 664 7.972 -45.745 -19.787 1.00 11.32 C ATOM 2140 C ILE A 664 7.778 -46.350 -21.182 1.00 4.42 C ATOM 2141 O ILE A 664 6.725 -46.897 -21.497 1.00 43.14 O ATOM 2142 CB ILE A 664 7.766 -46.780 -18.646 1.00 44.13 C ATOM 2143 CG1 ILE A 664 8.064 -46.096 -17.291 1.00 41.02 C ATOM 2144 CG2 ILE A 664 8.707 -48.006 -18.831 1.00 62.03 C ATOM 2145 CD1 ILE A 664 7.411 -46.734 -16.102 1.00 22.23 C ATOM 0 H ILE A 664 6.087 -44.930 -19.361 1.00 65.32 H new ATOM 0 HA ILE A 664 8.999 -45.398 -19.673 1.00 11.32 H new ATOM 0 HB ILE A 664 6.736 -47.135 -18.671 1.00 44.13 H new ATOM 0 HG12 ILE A 664 9.143 -46.089 -17.134 1.00 41.02 H new ATOM 0 HG13 ILE A 664 7.744 -45.056 -17.348 1.00 41.02 H new ATOM 0 HG21 ILE A 664 8.544 -48.716 -18.020 1.00 62.03 H new ATOM 0 HG22 ILE A 664 8.492 -48.489 -19.784 1.00 62.03 H new ATOM 0 HG23 ILE A 664 9.745 -47.673 -18.818 1.00 62.03 H new ATOM 0 HD11 ILE A 664 7.680 -46.184 -15.200 1.00 22.23 H new ATOM 0 HD12 ILE A 664 6.329 -46.717 -16.229 1.00 22.23 H new ATOM 0 HD13 ILE A 664 7.749 -47.766 -16.011 1.00 22.23 H new