USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 561 THR OG1 : rot 110:sc= 1.85 USER MOD Set 1.2: A 590 LYS NZ :NH3+ 148:sc= 2.12 (180deg=-0.024) USER MOD Single : A 533 THR OG1 : rot -170:sc= 0.283 USER MOD Single : A 536 CYS SG : rot 180:sc= -0.0258 USER MOD Single : A 538 THR OG1 : rot 180:sc= 0 USER MOD Single : A 540 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 542 SER OG : rot 47:sc= 1.13 USER MOD Single : A 544 SER OG : rot 57:sc= 0.928 USER MOD Single : A 548 MET CE :methyl 140:sc= -0.618 (180deg=-4.43!) USER MOD Single : A 551 LYS NZ :NH3+ 146:sc= 1.11 (180deg=-0.0421) USER MOD Single : A 555 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 556 SER OG : rot 180:sc= 0.0218 USER MOD Single : A 568 THR OG1 : rot 82:sc= 1.8 USER MOD Single : A 572 THR OG1 : rot -70:sc= 0.589 USER MOD Single : A 574 LYS NZ :NH3+ 143:sc= 1.12 (180deg=0.213) USER MOD Single : A 584 TYR OH : rot 180:sc= 0 USER MOD Single : A 591 ASN : amide:sc= -0.038 X(o=-0.038,f=0) USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 596 LYS NZ :NH3+ 159:sc= 1.21 (180deg=1.12) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 601 LYS NZ :NH3+ -162:sc= 0.518 (180deg=0.142) USER MOD Single : A 613 ASN : amide:sc= -0.0164 K(o=-0.016,f=-1.2) USER MOD Single : A 622 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.12) USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ -109:sc= 0.728 (180deg=0.318) USER MOD Single : A 657 HIS : no HE2:sc= -0.321 K(o=-0.32,f=-1.8) USER MOD Single : A 659 LYS NZ :NH3+ 164:sc=-0.00749 (180deg=-0.218) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 529 10.894 -18.705 2.455 1.00 53.24 N ATOM 19 CA ALA A 529 11.408 -19.869 1.762 1.00 53.24 C ATOM 20 C ALA A 529 10.879 -19.834 0.318 1.00 42.41 C ATOM 21 O ALA A 529 9.804 -19.305 0.063 1.00 25.40 O ATOM 22 CB ALA A 529 10.951 -21.094 2.458 1.00 34.11 C ATOM 0 HA ALA A 529 12.498 -19.868 1.752 1.00 53.24 H new ATOM 0 HB1 ALA A 529 11.336 -21.972 1.939 1.00 34.11 H new ATOM 0 HB2 ALA A 529 11.319 -21.088 3.484 1.00 34.11 H new ATOM 0 HB3 ALA A 529 9.861 -21.124 2.463 1.00 34.11 H new ATOM 28 N GLY A 530 11.651 -20.370 -0.618 1.00 51.41 N ATOM 29 CA GLY A 530 11.294 -20.272 -2.022 1.00 14.10 C ATOM 30 C GLY A 530 10.356 -21.321 -2.593 1.00 41.51 C ATOM 31 O GLY A 530 10.017 -22.303 -1.947 1.00 44.01 O ATOM 0 H GLY A 530 12.519 -20.872 -0.431 1.00 51.41 H new ATOM 0 HA2 GLY A 530 10.840 -19.294 -2.184 1.00 14.10 H new ATOM 0 HA3 GLY A 530 12.216 -20.296 -2.604 1.00 14.10 H new ATOM 35 N ILE A 531 9.982 -21.089 -3.845 1.00 44.00 N ATOM 36 CA ILE A 531 9.151 -21.992 -4.643 1.00 71.23 C ATOM 37 C ILE A 531 9.954 -23.250 -4.969 1.00 1.41 C ATOM 38 O ILE A 531 11.157 -23.149 -5.232 1.00 55.21 O ATOM 39 CB ILE A 531 8.727 -21.263 -5.988 1.00 63.30 C ATOM 40 CG1 ILE A 531 7.368 -20.561 -5.814 1.00 22.11 C ATOM 41 CG2 ILE A 531 8.642 -22.227 -7.190 1.00 63.32 C ATOM 42 CD1 ILE A 531 7.411 -19.285 -4.951 1.00 4.23 C ATOM 0 H ILE A 531 10.254 -20.246 -4.350 1.00 44.00 H new ATOM 0 HA ILE A 531 8.256 -22.266 -4.085 1.00 71.23 H new ATOM 0 HB ILE A 531 9.508 -20.532 -6.199 1.00 63.30 H new ATOM 0 HG12 ILE A 531 6.978 -20.305 -6.799 1.00 22.11 H new ATOM 0 HG13 ILE A 531 6.666 -21.264 -5.366 1.00 22.11 H new ATOM 0 HG21 ILE A 531 8.348 -21.672 -8.081 1.00 63.32 H new ATOM 0 HG22 ILE A 531 9.615 -22.689 -7.355 1.00 63.32 H new ATOM 0 HG23 ILE A 531 7.903 -23.001 -6.984 1.00 63.32 H new ATOM 0 HD11 ILE A 531 6.410 -18.858 -4.883 1.00 4.23 H new ATOM 0 HD12 ILE A 531 7.768 -19.534 -3.952 1.00 4.23 H new ATOM 0 HD13 ILE A 531 8.085 -18.560 -5.407 1.00 4.23 H new ATOM 54 N PHE A 532 9.289 -24.404 -4.996 1.00 61.13 N ATOM 55 CA PHE A 532 9.908 -25.667 -5.426 1.00 14.15 C ATOM 56 C PHE A 532 9.198 -26.208 -6.645 1.00 24.11 C ATOM 57 O PHE A 532 7.972 -26.260 -6.688 1.00 73.33 O ATOM 58 CB PHE A 532 9.834 -26.703 -4.324 1.00 65.41 C ATOM 59 CG PHE A 532 10.661 -26.352 -3.147 1.00 72.33 C ATOM 60 CD1 PHE A 532 10.161 -25.509 -2.143 1.00 21.14 C ATOM 61 CD2 PHE A 532 11.971 -26.832 -3.049 1.00 5.15 C ATOM 62 CE1 PHE A 532 10.970 -25.146 -1.054 1.00 55.50 C ATOM 63 CE2 PHE A 532 12.771 -26.482 -1.962 1.00 22.51 C ATOM 64 CZ PHE A 532 12.276 -25.638 -0.966 1.00 62.13 C ATOM 0 H PHE A 532 8.310 -24.495 -4.723 1.00 61.13 H new ATOM 0 HA PHE A 532 10.952 -25.463 -5.663 1.00 14.15 H new ATOM 0 HB2 PHE A 532 8.796 -26.820 -4.011 1.00 65.41 H new ATOM 0 HB3 PHE A 532 10.159 -27.667 -4.716 1.00 65.41 H new ATOM 0 HD1 PHE A 532 9.149 -25.137 -2.208 1.00 21.14 H new ATOM 0 HD2 PHE A 532 12.365 -27.478 -3.820 1.00 5.15 H new ATOM 0 HE1 PHE A 532 10.585 -24.490 -0.288 1.00 55.50 H new ATOM 0 HE2 PHE A 532 13.778 -26.865 -1.890 1.00 22.51 H new ATOM 0 HZ PHE A 532 12.901 -25.365 -0.129 1.00 62.13 H new ATOM 74 N THR A 533 9.969 -26.585 -7.647 1.00 15.41 N ATOM 75 CA THR A 533 9.412 -26.986 -8.930 1.00 43.30 C ATOM 76 C THR A 533 10.414 -27.906 -9.616 1.00 41.42 C ATOM 77 O THR A 533 11.565 -27.977 -9.200 1.00 43.53 O ATOM 78 CB THR A 533 9.134 -25.713 -9.784 1.00 21.22 C ATOM 79 OG1 THR A 533 8.466 -26.065 -10.994 1.00 73.42 O ATOM 80 CG2 THR A 533 10.413 -24.978 -10.118 1.00 2.43 C ATOM 0 H THR A 533 10.987 -26.623 -7.599 1.00 15.41 H new ATOM 0 HA THR A 533 8.470 -27.520 -8.803 1.00 43.30 H new ATOM 0 HB THR A 533 8.501 -25.054 -9.190 1.00 21.22 H new ATOM 0 HG1 THR A 533 8.438 -25.288 -11.590 1.00 73.42 H new ATOM 0 HG21 THR A 533 10.181 -24.096 -10.714 1.00 2.43 H new ATOM 0 HG22 THR A 533 10.909 -24.673 -9.196 1.00 2.43 H new ATOM 0 HG23 THR A 533 11.073 -25.635 -10.684 1.00 2.43 H new ATOM 88 N PHE A 534 9.988 -28.616 -10.646 1.00 1.43 N ATOM 89 CA PHE A 534 10.862 -29.512 -11.391 1.00 14.41 C ATOM 90 C PHE A 534 11.323 -28.842 -12.675 1.00 14.53 C ATOM 91 O PHE A 534 10.794 -27.808 -13.080 1.00 65.03 O ATOM 92 CB PHE A 534 10.133 -30.807 -11.755 1.00 30.20 C ATOM 93 CG PHE A 534 9.817 -31.704 -10.587 1.00 10.31 C ATOM 94 CD1 PHE A 534 10.342 -31.519 -9.293 1.00 73.54 C ATOM 95 CD2 PHE A 534 8.983 -32.781 -10.817 1.00 41.05 C ATOM 96 CE1 PHE A 534 9.997 -32.426 -8.253 1.00 24.44 C ATOM 97 CE2 PHE A 534 8.653 -33.702 -9.811 1.00 61.12 C ATOM 98 CZ PHE A 534 9.142 -33.526 -8.527 1.00 12.22 C ATOM 0 H PHE A 534 9.028 -28.589 -10.991 1.00 1.43 H new ATOM 0 HA PHE A 534 11.719 -29.744 -10.758 1.00 14.41 H new ATOM 0 HB2 PHE A 534 9.202 -30.553 -12.262 1.00 30.20 H new ATOM 0 HB3 PHE A 534 10.743 -31.363 -12.467 1.00 30.20 H new ATOM 0 HD1 PHE A 534 11.005 -30.691 -9.091 1.00 73.54 H new ATOM 0 HD2 PHE A 534 8.571 -32.919 -11.806 1.00 41.05 H new ATOM 0 HE1 PHE A 534 10.385 -32.278 -7.256 1.00 24.44 H new ATOM 0 HE2 PHE A 534 8.019 -34.546 -10.037 1.00 61.12 H new ATOM 0 HZ PHE A 534 8.876 -34.218 -7.742 1.00 12.22 H new ATOM 108 N GLU A 535 12.323 -29.450 -13.293 1.00 64.42 N ATOM 109 CA GLU A 535 12.925 -28.952 -14.531 1.00 54.41 C ATOM 110 C GLU A 535 12.035 -29.059 -15.747 1.00 61.42 C ATOM 111 O GLU A 535 12.128 -28.258 -16.677 1.00 50.01 O ATOM 112 CB GLU A 535 14.142 -29.800 -14.839 1.00 21.42 C ATOM 113 CG GLU A 535 15.435 -29.164 -14.473 1.00 3.04 C ATOM 114 CD GLU A 535 16.554 -29.652 -15.370 1.00 64.40 C ATOM 115 OE1 GLU A 535 16.794 -30.877 -15.426 1.00 71.21 O ATOM 116 OE2 GLU A 535 17.120 -28.827 -16.112 1.00 74.23 O ATOM 0 H GLU A 535 12.748 -30.312 -12.950 1.00 64.42 H new ATOM 0 HA GLU A 535 13.139 -27.898 -14.354 1.00 54.41 H new ATOM 0 HB2 GLU A 535 14.054 -30.749 -14.310 1.00 21.42 H new ATOM 0 HB3 GLU A 535 14.151 -30.029 -15.905 1.00 21.42 H new ATOM 0 HG2 GLU A 535 15.347 -28.081 -14.553 1.00 3.04 H new ATOM 0 HG3 GLU A 535 15.673 -29.389 -13.433 1.00 3.04 H new ATOM 123 N CYS A 536 11.252 -30.119 -15.769 1.00 73.51 N ATOM 124 CA CYS A 536 10.396 -30.440 -16.902 1.00 12.03 C ATOM 125 C CYS A 536 9.061 -30.896 -16.345 1.00 42.30 C ATOM 126 O CYS A 536 8.967 -31.204 -15.159 1.00 74.25 O ATOM 127 CB CYS A 536 11.015 -31.577 -17.727 1.00 61.54 C ATOM 128 SG CYS A 536 12.686 -31.243 -18.333 1.00 74.31 S ATOM 0 H CYS A 536 11.189 -30.787 -15.001 1.00 73.51 H new ATOM 0 HA CYS A 536 10.278 -29.569 -17.547 1.00 12.03 H new ATOM 0 HB2 CYS A 536 11.037 -32.480 -17.117 1.00 61.54 H new ATOM 0 HB3 CYS A 536 10.368 -31.784 -18.579 1.00 61.54 H new ATOM 0 HG CYS A 536 13.113 -32.265 -19.013 1.00 74.31 H new ATOM 134 N ASP A 537 8.059 -30.984 -17.203 1.00 13.41 N ATOM 135 CA ASP A 537 6.745 -31.507 -16.827 1.00 52.25 C ATOM 136 C ASP A 537 6.341 -32.706 -17.697 1.00 65.55 C ATOM 137 O ASP A 537 5.324 -33.323 -17.444 1.00 4.44 O ATOM 138 CB ASP A 537 5.681 -30.407 -16.889 1.00 41.41 C ATOM 139 CG ASP A 537 5.724 -29.610 -18.183 1.00 54.34 C ATOM 140 OD1 ASP A 537 6.291 -30.074 -19.196 1.00 1.04 O ATOM 141 OD2 ASP A 537 5.289 -28.439 -18.128 1.00 52.42 O ATOM 0 H ASP A 537 8.127 -30.697 -18.179 1.00 13.41 H new ATOM 0 HA ASP A 537 6.816 -31.858 -15.798 1.00 52.25 H new ATOM 0 HB2 ASP A 537 4.694 -30.857 -16.779 1.00 41.41 H new ATOM 0 HB3 ASP A 537 5.818 -29.729 -16.047 1.00 41.41 H new ATOM 146 N THR A 538 7.190 -33.079 -18.651 1.00 31.33 N ATOM 147 CA THR A 538 6.997 -34.244 -19.505 1.00 72.13 C ATOM 148 C THR A 538 8.416 -34.809 -19.710 1.00 30.24 C ATOM 149 O THR A 538 9.369 -34.043 -19.881 1.00 1.11 O ATOM 150 CB THR A 538 6.413 -33.832 -20.874 1.00 73.51 C ATOM 151 OG1 THR A 538 5.251 -33.023 -20.672 1.00 42.14 O ATOM 152 CG2 THR A 538 6.007 -35.044 -21.698 1.00 40.22 C ATOM 0 H THR A 538 8.049 -32.568 -18.855 1.00 31.33 H new ATOM 0 HA THR A 538 6.306 -34.960 -19.061 1.00 72.13 H new ATOM 0 HB THR A 538 7.187 -33.282 -21.410 1.00 73.51 H new ATOM 0 HG1 THR A 538 4.881 -32.760 -21.540 1.00 42.14 H new ATOM 0 HG21 THR A 538 5.601 -34.714 -22.654 1.00 40.22 H new ATOM 0 HG22 THR A 538 6.879 -35.674 -21.872 1.00 40.22 H new ATOM 0 HG23 THR A 538 5.250 -35.613 -21.159 1.00 40.22 H new ATOM 160 N ILE A 539 8.550 -36.122 -19.638 1.00 32.52 N ATOM 161 CA ILE A 539 9.826 -36.846 -19.776 1.00 34.42 C ATOM 162 C ILE A 539 9.527 -38.250 -20.322 1.00 45.53 C ATOM 163 O ILE A 539 8.407 -38.734 -20.214 1.00 35.21 O ATOM 164 CB ILE A 539 10.565 -36.951 -18.375 1.00 13.01 C ATOM 165 CG1 ILE A 539 12.018 -37.441 -18.526 1.00 42.32 C ATOM 166 CG2 ILE A 539 9.756 -37.823 -17.345 1.00 64.33 C ATOM 167 CD1 ILE A 539 12.282 -38.852 -17.975 1.00 33.45 C ATOM 0 H ILE A 539 7.757 -36.743 -19.477 1.00 32.52 H new ATOM 0 HA ILE A 539 10.482 -36.307 -20.460 1.00 34.42 H new ATOM 0 HB ILE A 539 10.611 -35.941 -17.967 1.00 13.01 H new ATOM 0 HG12 ILE A 539 12.285 -37.423 -19.583 1.00 42.32 H new ATOM 0 HG13 ILE A 539 12.678 -36.738 -18.018 1.00 42.32 H new ATOM 0 HG21 ILE A 539 10.299 -37.868 -16.401 1.00 64.33 H new ATOM 0 HG22 ILE A 539 8.776 -37.375 -17.180 1.00 64.33 H new ATOM 0 HG23 ILE A 539 9.632 -38.831 -17.740 1.00 64.33 H new ATOM 0 HD11 ILE A 539 13.330 -39.111 -18.125 1.00 33.45 H new ATOM 0 HD12 ILE A 539 12.051 -38.876 -16.910 1.00 33.45 H new ATOM 0 HD13 ILE A 539 11.652 -39.571 -18.499 1.00 33.45 H new ATOM 179 N HIS A 540 10.529 -38.911 -20.887 1.00 3.15 N ATOM 180 CA HIS A 540 10.411 -40.313 -21.282 1.00 64.43 C ATOM 181 C HIS A 540 11.577 -41.086 -20.683 1.00 61.51 C ATOM 182 O HIS A 540 12.725 -40.658 -20.810 1.00 1.11 O ATOM 183 CB HIS A 540 10.467 -40.474 -22.798 1.00 60.20 C ATOM 184 CG HIS A 540 9.202 -40.095 -23.501 1.00 13.30 C ATOM 185 ND1 HIS A 540 8.471 -40.984 -24.291 1.00 60.00 N ATOM 186 CD2 HIS A 540 8.508 -38.927 -23.567 1.00 53.24 C ATOM 187 CE1 HIS A 540 7.418 -40.351 -24.789 1.00 42.42 C ATOM 188 NE2 HIS A 540 7.419 -39.116 -24.365 1.00 11.20 N ATOM 0 H HIS A 540 11.440 -38.497 -21.084 1.00 3.15 H new ATOM 0 HA HIS A 540 9.452 -40.688 -20.924 1.00 64.43 H new ATOM 0 HB2 HIS A 540 11.283 -39.865 -23.187 1.00 60.20 H new ATOM 0 HB3 HIS A 540 10.704 -41.512 -23.034 1.00 60.20 H new ATOM 0 HD2 HIS A 540 8.775 -38.005 -23.071 1.00 53.24 H new ATOM 0 HE1 HIS A 540 6.677 -40.788 -25.442 1.00 42.42 H new ATOM 0 HE2 HIS A 540 6.720 -38.409 -24.593 1.00 11.20 H new ATOM 196 N VAL A 541 11.292 -42.222 -20.067 1.00 50.14 N ATOM 197 CA VAL A 541 12.348 -43.176 -19.653 1.00 74.21 C ATOM 198 C VAL A 541 12.068 -44.523 -20.297 1.00 50.34 C ATOM 199 O VAL A 541 11.081 -44.690 -20.984 1.00 13.03 O ATOM 200 CB VAL A 541 12.450 -43.385 -18.099 1.00 54.02 C ATOM 201 CG1 VAL A 541 12.822 -42.108 -17.411 1.00 65.13 C ATOM 202 CG2 VAL A 541 11.145 -43.949 -17.512 1.00 21.14 C ATOM 0 H VAL A 541 10.344 -42.520 -19.836 1.00 50.14 H new ATOM 0 HA VAL A 541 13.296 -42.748 -19.979 1.00 74.21 H new ATOM 0 HB VAL A 541 13.237 -44.118 -17.924 1.00 54.02 H new ATOM 0 HG11 VAL A 541 12.886 -42.279 -16.336 1.00 65.13 H new ATOM 0 HG12 VAL A 541 13.787 -41.763 -17.782 1.00 65.13 H new ATOM 0 HG13 VAL A 541 12.064 -41.351 -17.613 1.00 65.13 H new ATOM 0 HG21 VAL A 541 11.257 -44.079 -16.436 1.00 21.14 H new ATOM 0 HG22 VAL A 541 10.327 -43.256 -17.711 1.00 21.14 H new ATOM 0 HG23 VAL A 541 10.925 -44.912 -17.973 1.00 21.14 H new ATOM 212 N SER A 542 12.919 -45.489 -20.006 1.00 54.43 N ATOM 213 CA SER A 542 12.734 -46.876 -20.401 1.00 23.00 C ATOM 214 C SER A 542 12.969 -47.599 -19.097 1.00 12.02 C ATOM 215 O SER A 542 13.671 -47.077 -18.254 1.00 54.12 O ATOM 216 CB SER A 542 13.792 -47.277 -21.437 1.00 11.25 C ATOM 217 OG SER A 542 13.986 -48.680 -21.491 1.00 54.14 O ATOM 0 H SER A 542 13.777 -45.330 -19.477 1.00 54.43 H new ATOM 0 HA SER A 542 11.768 -47.088 -20.858 1.00 23.00 H new ATOM 0 HB2 SER A 542 13.490 -46.916 -22.420 1.00 11.25 H new ATOM 0 HB3 SER A 542 14.737 -46.791 -21.195 1.00 11.25 H new ATOM 0 HG SER A 542 13.116 -49.129 -21.527 1.00 54.14 H new ATOM 223 N GLU A 543 12.420 -48.784 -18.933 1.00 22.21 N ATOM 224 CA GLU A 543 12.658 -49.621 -17.746 1.00 54.31 C ATOM 225 C GLU A 543 14.149 -49.873 -17.550 1.00 23.21 C ATOM 226 O GLU A 543 14.656 -49.909 -16.425 1.00 45.44 O ATOM 227 CB GLU A 543 11.963 -50.993 -17.889 1.00 55.21 C ATOM 228 CG GLU A 543 11.195 -51.231 -19.210 1.00 53.22 C ATOM 229 CD GLU A 543 12.071 -51.082 -20.470 1.00 1.40 C ATOM 230 OE1 GLU A 543 13.208 -51.596 -20.496 1.00 3.14 O ATOM 231 OE2 GLU A 543 11.717 -50.209 -21.304 1.00 61.32 O ATOM 0 H GLU A 543 11.791 -49.208 -19.615 1.00 22.21 H new ATOM 0 HA GLU A 543 12.251 -49.082 -16.890 1.00 54.31 H new ATOM 0 HB2 GLU A 543 12.718 -51.773 -17.785 1.00 55.21 H new ATOM 0 HB3 GLU A 543 11.265 -51.113 -17.060 1.00 55.21 H new ATOM 0 HG2 GLU A 543 10.764 -52.232 -19.194 1.00 53.22 H new ATOM 0 HG3 GLU A 543 10.365 -50.527 -19.270 1.00 53.22 H new ATOM 238 N SER A 544 14.847 -49.992 -18.669 1.00 13.32 N ATOM 239 CA SER A 544 16.274 -50.298 -18.710 1.00 41.53 C ATOM 240 C SER A 544 17.144 -49.203 -18.100 1.00 35.32 C ATOM 241 O SER A 544 18.332 -49.408 -17.852 1.00 74.24 O ATOM 242 CB SER A 544 16.689 -50.523 -20.164 1.00 40.41 C ATOM 243 OG SER A 544 16.040 -51.661 -20.710 1.00 75.05 O ATOM 0 H SER A 544 14.432 -49.877 -19.594 1.00 13.32 H new ATOM 0 HA SER A 544 16.430 -51.194 -18.109 1.00 41.53 H new ATOM 0 HB2 SER A 544 16.443 -49.641 -20.756 1.00 40.41 H new ATOM 0 HB3 SER A 544 17.770 -50.654 -20.221 1.00 40.41 H new ATOM 0 HG SER A 544 15.069 -51.555 -20.628 1.00 75.05 H new ATOM 249 N ILE A 545 16.552 -48.052 -17.810 1.00 62.25 N ATOM 250 CA ILE A 545 17.263 -46.981 -17.127 1.00 34.43 C ATOM 251 C ILE A 545 17.570 -47.405 -15.682 1.00 44.12 C ATOM 252 O ILE A 545 18.499 -46.889 -15.047 1.00 42.01 O ATOM 253 CB ILE A 545 16.418 -45.680 -17.129 1.00 53.33 C ATOM 254 CG1 ILE A 545 17.334 -44.471 -16.904 1.00 14.04 C ATOM 255 CG2 ILE A 545 15.254 -45.769 -16.091 1.00 43.25 C ATOM 256 CD1 ILE A 545 16.612 -43.207 -16.532 1.00 55.33 C ATOM 0 H ILE A 545 15.581 -47.837 -18.037 1.00 62.25 H new ATOM 0 HA ILE A 545 18.197 -46.787 -17.654 1.00 34.43 H new ATOM 0 HB ILE A 545 15.943 -45.552 -18.102 1.00 53.33 H new ATOM 0 HG12 ILE A 545 18.048 -44.713 -16.116 1.00 14.04 H new ATOM 0 HG13 ILE A 545 17.910 -44.293 -17.812 1.00 14.04 H new ATOM 0 HG21 ILE A 545 14.677 -44.845 -16.112 1.00 43.25 H new ATOM 0 HG22 ILE A 545 14.605 -46.608 -16.343 1.00 43.25 H new ATOM 0 HG23 ILE A 545 15.667 -45.916 -15.093 1.00 43.25 H new ATOM 0 HD11 ILE A 545 17.335 -42.403 -16.392 1.00 55.33 H new ATOM 0 HD12 ILE A 545 15.918 -42.936 -17.328 1.00 55.33 H new ATOM 0 HD13 ILE A 545 16.059 -43.363 -15.606 1.00 55.33 H new ATOM 268 N GLY A 546 16.780 -48.329 -15.150 1.00 22.34 N ATOM 269 CA GLY A 546 16.976 -48.785 -13.790 1.00 74.12 C ATOM 270 C GLY A 546 16.283 -47.891 -12.791 1.00 44.53 C ATOM 271 O GLY A 546 15.392 -48.314 -12.066 1.00 64.20 O ATOM 0 H GLY A 546 16.003 -48.772 -15.640 1.00 22.34 H new ATOM 0 HA2 GLY A 546 16.598 -49.802 -13.690 1.00 74.12 H new ATOM 0 HA3 GLY A 546 18.043 -48.818 -13.569 1.00 74.12 H new ATOM 275 N VAL A 547 16.693 -46.635 -12.748 1.00 41.44 N ATOM 276 CA VAL A 547 16.099 -45.668 -11.836 1.00 22.34 C ATOM 277 C VAL A 547 16.054 -44.288 -12.488 1.00 35.32 C ATOM 278 O VAL A 547 17.057 -43.758 -12.960 1.00 73.12 O ATOM 279 CB VAL A 547 16.842 -45.667 -10.451 1.00 53.35 C ATOM 280 CG1 VAL A 547 18.357 -45.671 -10.612 1.00 11.30 C ATOM 281 CG2 VAL A 547 16.420 -44.492 -9.597 1.00 50.21 C ATOM 0 H VAL A 547 17.437 -46.258 -13.335 1.00 41.44 H new ATOM 0 HA VAL A 547 15.069 -45.959 -11.628 1.00 22.34 H new ATOM 0 HB VAL A 547 16.553 -46.589 -9.947 1.00 53.35 H new ATOM 0 HG11 VAL A 547 18.827 -45.670 -9.629 1.00 11.30 H new ATOM 0 HG12 VAL A 547 18.662 -46.563 -11.160 1.00 11.30 H new ATOM 0 HG13 VAL A 547 18.667 -44.783 -11.163 1.00 11.30 H new ATOM 0 HG21 VAL A 547 16.953 -44.523 -8.647 1.00 50.21 H new ATOM 0 HG22 VAL A 547 16.655 -43.562 -10.115 1.00 50.21 H new ATOM 0 HG23 VAL A 547 15.347 -44.543 -9.413 1.00 50.21 H new ATOM 291 N MET A 548 14.852 -43.742 -12.546 1.00 1.11 N ATOM 292 CA MET A 548 14.590 -42.445 -13.149 1.00 44.40 C ATOM 293 C MET A 548 14.923 -41.334 -12.161 1.00 72.20 C ATOM 294 O MET A 548 14.896 -41.553 -10.946 1.00 43.04 O ATOM 295 CB MET A 548 13.130 -42.359 -13.593 1.00 23.41 C ATOM 296 CG MET A 548 12.161 -41.966 -12.486 1.00 51.10 C ATOM 297 SD MET A 548 11.963 -40.181 -12.301 1.00 11.54 S ATOM 298 CE MET A 548 11.429 -39.702 -13.951 1.00 33.51 C ATOM 0 H MET A 548 14.018 -44.193 -12.170 1.00 1.11 H new ATOM 0 HA MET A 548 15.223 -42.324 -14.028 1.00 44.40 H new ATOM 0 HB2 MET A 548 13.051 -41.634 -14.403 1.00 23.41 H new ATOM 0 HB3 MET A 548 12.828 -43.325 -13.998 1.00 23.41 H new ATOM 0 HG2 MET A 548 11.188 -42.412 -12.691 1.00 51.10 H new ATOM 0 HG3 MET A 548 12.511 -42.384 -11.542 1.00 51.10 H new ATOM 0 HE1 MET A 548 10.651 -38.942 -13.875 1.00 33.51 H new ATOM 0 HE2 MET A 548 12.277 -39.300 -14.505 1.00 33.51 H new ATOM 0 HE3 MET A 548 11.035 -40.574 -14.473 1.00 33.51 H new ATOM 308 N GLU A 549 15.265 -40.160 -12.674 1.00 32.21 N ATOM 309 CA GLU A 549 15.543 -39.004 -11.829 1.00 13.22 C ATOM 310 C GLU A 549 14.870 -37.740 -12.352 1.00 33.45 C ATOM 311 O GLU A 549 14.877 -37.474 -13.554 1.00 61.30 O ATOM 312 CB GLU A 549 17.050 -38.739 -11.722 1.00 71.10 C ATOM 313 CG GLU A 549 17.529 -38.601 -10.310 1.00 5.51 C ATOM 314 CD GLU A 549 19.046 -38.426 -10.212 1.00 60.44 C ATOM 315 OE1 GLU A 549 19.665 -37.908 -11.163 1.00 30.34 O ATOM 316 OE2 GLU A 549 19.619 -38.788 -9.158 1.00 34.05 O ATOM 0 H GLU A 549 15.357 -39.982 -13.674 1.00 32.21 H new ATOM 0 HA GLU A 549 15.139 -39.245 -10.846 1.00 13.22 H new ATOM 0 HB2 GLU A 549 17.590 -39.554 -12.203 1.00 71.10 H new ATOM 0 HB3 GLU A 549 17.292 -37.829 -12.271 1.00 71.10 H new ATOM 0 HG2 GLU A 549 17.039 -37.745 -9.847 1.00 5.51 H new ATOM 0 HG3 GLU A 549 17.232 -39.483 -9.743 1.00 5.51 H new ATOM 323 N VAL A 550 14.357 -36.928 -11.437 1.00 2.42 N ATOM 324 CA VAL A 550 13.847 -35.595 -11.783 1.00 61.44 C ATOM 325 C VAL A 550 14.703 -34.616 -11.021 1.00 23.11 C ATOM 326 O VAL A 550 15.053 -34.866 -9.872 1.00 74.34 O ATOM 327 CB VAL A 550 12.325 -35.391 -11.425 1.00 11.35 C ATOM 328 CG1 VAL A 550 11.566 -36.657 -11.679 1.00 54.54 C ATOM 329 CG2 VAL A 550 12.109 -34.929 -9.983 1.00 14.14 C ATOM 0 H VAL A 550 14.280 -37.163 -10.447 1.00 2.42 H new ATOM 0 HA VAL A 550 13.903 -35.451 -12.862 1.00 61.44 H new ATOM 0 HB VAL A 550 11.950 -34.596 -12.070 1.00 11.35 H new ATOM 0 HG11 VAL A 550 10.516 -36.508 -11.429 1.00 54.54 H new ATOM 0 HG12 VAL A 550 11.654 -36.929 -12.731 1.00 54.54 H new ATOM 0 HG13 VAL A 550 11.976 -37.457 -11.062 1.00 54.54 H new ATOM 0 HG21 VAL A 550 11.042 -34.806 -9.796 1.00 14.14 H new ATOM 0 HG22 VAL A 550 12.514 -35.674 -9.298 1.00 14.14 H new ATOM 0 HG23 VAL A 550 12.617 -33.977 -9.826 1.00 14.14 H new ATOM 339 N LYS A 551 15.058 -33.506 -11.643 1.00 11.42 N ATOM 340 CA LYS A 551 15.810 -32.477 -10.940 1.00 0.32 C ATOM 341 C LYS A 551 14.806 -31.513 -10.346 1.00 3.10 C ATOM 342 O LYS A 551 13.886 -31.054 -11.028 1.00 0.41 O ATOM 343 CB LYS A 551 16.784 -31.758 -11.866 1.00 14.32 C ATOM 344 CG LYS A 551 17.788 -32.690 -12.524 1.00 54.22 C ATOM 345 CD LYS A 551 18.923 -31.904 -13.169 1.00 62.13 C ATOM 346 CE LYS A 551 19.633 -32.719 -14.251 1.00 32.33 C ATOM 347 NZ LYS A 551 18.718 -32.966 -15.424 1.00 34.12 N ATOM 0 H LYS A 551 14.843 -33.294 -12.617 1.00 11.42 H new ATOM 0 HA LYS A 551 16.418 -32.928 -10.156 1.00 0.32 H new ATOM 0 HB2 LYS A 551 16.221 -31.237 -12.640 1.00 14.32 H new ATOM 0 HB3 LYS A 551 17.322 -30.999 -11.298 1.00 14.32 H new ATOM 0 HG2 LYS A 551 18.193 -33.377 -11.781 1.00 54.22 H new ATOM 0 HG3 LYS A 551 17.286 -33.296 -13.278 1.00 54.22 H new ATOM 0 HD2 LYS A 551 18.528 -30.986 -13.605 1.00 62.13 H new ATOM 0 HD3 LYS A 551 19.642 -31.610 -12.405 1.00 62.13 H new ATOM 0 HE2 LYS A 551 20.525 -32.189 -14.585 1.00 32.33 H new ATOM 0 HE3 LYS A 551 19.965 -33.671 -13.836 1.00 32.33 H new ATOM 0 HZ1 LYS A 551 19.274 -32.972 -16.303 1.00 34.12 H new ATOM 0 HZ2 LYS A 551 18.245 -33.885 -15.308 1.00 34.12 H new ATOM 0 HZ3 LYS A 551 18.003 -32.212 -15.472 1.00 34.12 H new ATOM 361 N VAL A 552 14.968 -31.255 -9.062 1.00 70.22 N ATOM 362 CA VAL A 552 14.086 -30.385 -8.299 1.00 53.41 C ATOM 363 C VAL A 552 14.829 -29.090 -8.018 1.00 51.45 C ATOM 364 O VAL A 552 15.921 -29.107 -7.449 1.00 41.13 O ATOM 365 CB VAL A 552 13.716 -31.018 -6.932 1.00 0.15 C ATOM 366 CG1 VAL A 552 12.550 -30.244 -6.282 1.00 75.44 C ATOM 367 CG2 VAL A 552 13.358 -32.497 -7.078 1.00 73.14 C ATOM 0 H VAL A 552 15.728 -31.650 -8.508 1.00 70.22 H new ATOM 0 HA VAL A 552 13.175 -30.222 -8.875 1.00 53.41 H new ATOM 0 HB VAL A 552 14.591 -30.951 -6.285 1.00 0.15 H new ATOM 0 HG11 VAL A 552 12.301 -30.699 -5.323 1.00 75.44 H new ATOM 0 HG12 VAL A 552 12.845 -29.206 -6.125 1.00 75.44 H new ATOM 0 HG13 VAL A 552 11.680 -30.279 -6.937 1.00 75.44 H new ATOM 0 HG21 VAL A 552 13.104 -32.908 -6.101 1.00 73.14 H new ATOM 0 HG22 VAL A 552 12.504 -32.600 -7.748 1.00 73.14 H new ATOM 0 HG23 VAL A 552 14.210 -33.039 -7.489 1.00 73.14 H new ATOM 377 N LEU A 553 14.258 -27.976 -8.445 1.00 31.21 N ATOM 378 CA LEU A 553 14.861 -26.676 -8.273 1.00 71.11 C ATOM 379 C LEU A 553 14.144 -25.917 -7.170 1.00 73.32 C ATOM 380 O LEU A 553 12.998 -26.221 -6.819 1.00 74.40 O ATOM 381 CB LEU A 553 14.748 -25.871 -9.571 1.00 2.32 C ATOM 382 CG LEU A 553 15.220 -26.511 -10.890 1.00 70.32 C ATOM 383 CD1 LEU A 553 16.598 -27.185 -10.780 1.00 24.03 C ATOM 384 CD2 LEU A 553 14.211 -27.470 -11.459 1.00 71.22 C ATOM 0 H LEU A 553 13.357 -27.954 -8.923 1.00 31.21 H new ATOM 0 HA LEU A 553 15.910 -26.812 -8.011 1.00 71.11 H new ATOM 0 HB2 LEU A 553 13.701 -25.593 -9.696 1.00 2.32 H new ATOM 0 HB3 LEU A 553 15.309 -24.946 -9.435 1.00 2.32 H new ATOM 0 HG LEU A 553 15.323 -25.677 -11.584 1.00 70.32 H new ATOM 0 HD11 LEU A 553 16.870 -27.615 -11.744 1.00 24.03 H new ATOM 0 HD12 LEU A 553 17.343 -26.444 -10.490 1.00 24.03 H new ATOM 0 HD13 LEU A 553 16.558 -27.974 -10.029 1.00 24.03 H new ATOM 0 HD21 LEU A 553 14.594 -27.892 -12.388 1.00 71.22 H new ATOM 0 HD22 LEU A 553 14.028 -28.272 -10.744 1.00 71.22 H new ATOM 0 HD23 LEU A 553 13.279 -26.942 -11.658 1.00 71.22 H new ATOM 396 N ARG A 554 14.812 -24.897 -6.666 1.00 3.23 N ATOM 397 CA ARG A 554 14.271 -24.006 -5.643 1.00 72.13 C ATOM 398 C ARG A 554 14.658 -22.600 -6.063 1.00 13.12 C ATOM 399 O ARG A 554 15.787 -22.374 -6.478 1.00 42.43 O ATOM 400 CB ARG A 554 14.866 -24.373 -4.282 1.00 64.33 C ATOM 401 CG ARG A 554 14.369 -23.564 -3.095 1.00 71.02 C ATOM 402 CD ARG A 554 15.169 -23.962 -1.846 1.00 71.04 C ATOM 403 NE ARG A 554 14.675 -23.303 -0.624 1.00 72.01 N ATOM 404 CZ ARG A 554 15.327 -23.259 0.538 1.00 13.42 C ATOM 405 NH1 ARG A 554 16.485 -23.822 0.719 1.00 2.53 N ATOM 406 NH2 ARG A 554 14.809 -22.616 1.544 1.00 12.11 N ATOM 0 H ARG A 554 15.760 -24.656 -6.956 1.00 3.23 H new ATOM 0 HA ARG A 554 13.188 -24.088 -5.549 1.00 72.13 H new ATOM 0 HB2 ARG A 554 14.660 -25.426 -4.090 1.00 64.33 H new ATOM 0 HB3 ARG A 554 15.949 -24.266 -4.341 1.00 64.33 H new ATOM 0 HG2 ARG A 554 14.484 -22.498 -3.292 1.00 71.02 H new ATOM 0 HG3 ARG A 554 13.306 -23.745 -2.935 1.00 71.02 H new ATOM 0 HD2 ARG A 554 15.120 -25.043 -1.717 1.00 71.04 H new ATOM 0 HD3 ARG A 554 16.218 -23.706 -1.994 1.00 71.04 H new ATOM 0 HE ARG A 554 13.765 -22.846 -0.671 1.00 72.01 H new ATOM 0 HH11 ARG A 554 16.933 -24.325 -0.047 1.00 2.53 H new ATOM 0 HH12 ARG A 554 16.945 -23.761 1.627 1.00 2.53 H new ATOM 0 HH21 ARG A 554 13.908 -22.149 1.441 1.00 12.11 H new ATOM 0 HH22 ARG A 554 15.304 -22.579 2.435 1.00 12.11 H new ATOM 420 N THR A 555 13.720 -21.666 -6.018 1.00 31.20 N ATOM 421 CA THR A 555 14.006 -20.293 -6.463 1.00 1.30 C ATOM 422 C THR A 555 14.949 -19.585 -5.477 1.00 75.22 C ATOM 423 O THR A 555 15.218 -20.098 -4.386 1.00 53.14 O ATOM 424 CB THR A 555 12.699 -19.457 -6.664 1.00 23.04 C ATOM 425 OG1 THR A 555 12.987 -18.312 -7.471 1.00 74.41 O ATOM 426 CG2 THR A 555 12.121 -18.958 -5.342 1.00 33.52 C ATOM 0 H THR A 555 12.768 -21.820 -5.686 1.00 31.20 H new ATOM 0 HA THR A 555 14.501 -20.366 -7.432 1.00 1.30 H new ATOM 0 HB THR A 555 11.971 -20.113 -7.140 1.00 23.04 H new ATOM 0 HG1 THR A 555 12.169 -17.788 -7.599 1.00 74.41 H new ATOM 0 HG21 THR A 555 11.215 -18.383 -5.535 1.00 33.52 H new ATOM 0 HG22 THR A 555 11.882 -19.810 -4.705 1.00 33.52 H new ATOM 0 HG23 THR A 555 12.853 -18.324 -4.841 1.00 33.52 H new ATOM 434 N SER A 556 15.402 -18.386 -5.833 1.00 42.31 N ATOM 435 CA SER A 556 16.329 -17.587 -5.009 1.00 3.03 C ATOM 436 C SER A 556 15.762 -17.092 -3.673 1.00 63.23 C ATOM 437 O SER A 556 16.432 -16.402 -2.903 1.00 22.41 O ATOM 438 CB SER A 556 16.804 -16.391 -5.826 1.00 53.10 C ATOM 439 OG SER A 556 17.023 -16.780 -7.171 1.00 53.32 O ATOM 0 H SER A 556 15.139 -17.930 -6.707 1.00 42.31 H new ATOM 0 HA SER A 556 17.145 -18.259 -4.744 1.00 3.03 H new ATOM 0 HB2 SER A 556 16.061 -15.594 -5.785 1.00 53.10 H new ATOM 0 HB3 SER A 556 17.724 -15.991 -5.400 1.00 53.10 H new ATOM 0 HG SER A 556 17.326 -16.006 -7.690 1.00 53.32 H new ATOM 445 N GLY A 557 14.561 -17.547 -3.366 1.00 63.33 N ATOM 446 CA GLY A 557 13.935 -17.335 -2.074 1.00 2.35 C ATOM 447 C GLY A 557 14.463 -18.361 -1.084 1.00 41.41 C ATOM 448 O GLY A 557 13.842 -18.629 -0.083 1.00 24.41 O ATOM 0 H GLY A 557 13.985 -18.082 -4.016 1.00 63.33 H new ATOM 0 HA2 GLY A 557 14.145 -16.327 -1.717 1.00 2.35 H new ATOM 0 HA3 GLY A 557 12.852 -17.423 -2.163 1.00 2.35 H new ATOM 452 N ALA A 558 15.577 -18.997 -1.405 1.00 62.33 N ATOM 453 CA ALA A 558 16.120 -20.086 -0.600 1.00 45.30 C ATOM 454 C ALA A 558 16.785 -19.643 0.708 1.00 1.34 C ATOM 455 O ALA A 558 17.976 -19.842 0.913 1.00 72.12 O ATOM 456 CB ALA A 558 17.098 -20.875 -1.437 1.00 2.31 C ATOM 0 H ALA A 558 16.133 -18.775 -2.231 1.00 62.33 H new ATOM 0 HA ALA A 558 15.271 -20.699 -0.298 1.00 45.30 H new ATOM 0 HB1 ALA A 558 17.509 -21.691 -0.843 1.00 2.31 H new ATOM 0 HB2 ALA A 558 16.585 -21.282 -2.308 1.00 2.31 H new ATOM 0 HB3 ALA A 558 17.907 -20.222 -1.764 1.00 2.31 H new ATOM 462 N ARG A 559 16.008 -19.061 1.603 1.00 30.31 N ATOM 463 CA ARG A 559 16.517 -18.632 2.891 1.00 55.41 C ATOM 464 C ARG A 559 16.236 -19.751 3.876 1.00 13.04 C ATOM 465 O ARG A 559 15.093 -20.142 4.089 1.00 60.44 O ATOM 466 CB ARG A 559 15.844 -17.322 3.317 1.00 13.53 C ATOM 467 CG ARG A 559 15.868 -16.219 2.222 1.00 61.40 C ATOM 468 CD ARG A 559 17.297 -15.778 1.878 1.00 22.33 C ATOM 469 NE ARG A 559 17.544 -15.782 0.423 1.00 71.32 N ATOM 470 CZ ARG A 559 18.720 -15.558 -0.153 1.00 53.10 C ATOM 471 NH1 ARG A 559 19.801 -15.292 0.539 1.00 42.02 N ATOM 472 NH2 ARG A 559 18.810 -15.602 -1.451 1.00 62.15 N ATOM 0 H ARG A 559 15.016 -18.874 1.459 1.00 30.31 H new ATOM 0 HA ARG A 559 17.588 -18.435 2.848 1.00 55.41 H new ATOM 0 HB2 ARG A 559 14.809 -17.528 3.589 1.00 13.53 H new ATOM 0 HB3 ARG A 559 16.340 -16.944 4.211 1.00 13.53 H new ATOM 0 HG2 ARG A 559 15.377 -16.591 1.323 1.00 61.40 H new ATOM 0 HG3 ARG A 559 15.295 -15.357 2.564 1.00 61.40 H new ATOM 0 HD2 ARG A 559 17.472 -14.777 2.272 1.00 22.33 H new ATOM 0 HD3 ARG A 559 18.009 -16.442 2.368 1.00 22.33 H new ATOM 0 HE ARG A 559 16.750 -15.972 -0.188 1.00 71.32 H new ATOM 0 HH11 ARG A 559 19.758 -15.251 1.557 1.00 42.02 H new ATOM 0 HH12 ARG A 559 20.686 -15.126 0.059 1.00 42.02 H new ATOM 0 HH21 ARG A 559 17.984 -15.807 -2.013 1.00 62.15 H new ATOM 0 HH22 ARG A 559 19.707 -15.432 -1.906 1.00 62.15 H new ATOM 486 N GLY A 560 17.296 -20.296 4.435 1.00 13.14 N ATOM 487 CA GLY A 560 17.168 -21.377 5.396 1.00 72.50 C ATOM 488 C GLY A 560 16.983 -22.742 4.770 1.00 62.44 C ATOM 489 O GLY A 560 17.057 -22.907 3.544 1.00 3.12 O ATOM 0 H GLY A 560 18.256 -20.010 4.242 1.00 13.14 H new ATOM 0 HA2 GLY A 560 18.057 -21.396 6.026 1.00 72.50 H new ATOM 0 HA3 GLY A 560 16.319 -21.170 6.048 1.00 72.50 H new ATOM 493 N THR A 561 16.727 -23.723 5.617 1.00 3.41 N ATOM 494 CA THR A 561 16.551 -25.105 5.205 1.00 3.43 C ATOM 495 C THR A 561 15.082 -25.450 5.213 1.00 33.44 C ATOM 496 O THR A 561 14.356 -25.158 6.136 1.00 13.32 O ATOM 497 CB THR A 561 17.294 -26.094 6.138 1.00 43.40 C ATOM 498 OG1 THR A 561 18.693 -25.790 6.127 1.00 1.24 O ATOM 499 CG2 THR A 561 17.094 -27.515 5.733 1.00 33.43 C ATOM 0 H THR A 561 16.634 -23.581 6.623 1.00 3.41 H new ATOM 0 HA THR A 561 16.970 -25.200 4.203 1.00 3.43 H new ATOM 0 HB THR A 561 16.881 -25.978 7.140 1.00 43.40 H new ATOM 0 HG1 THR A 561 18.954 -25.418 6.995 1.00 1.24 H new ATOM 0 HG21 THR A 561 17.635 -28.168 6.418 1.00 33.43 H new ATOM 0 HG22 THR A 561 16.031 -27.756 5.764 1.00 33.43 H new ATOM 0 HG23 THR A 561 17.469 -27.661 4.720 1.00 33.43 H new ATOM 507 N VAL A 562 14.671 -26.080 4.143 1.00 22.53 N ATOM 508 CA VAL A 562 13.313 -26.553 3.921 1.00 75.41 C ATOM 509 C VAL A 562 13.436 -28.043 3.639 1.00 22.11 C ATOM 510 O VAL A 562 14.402 -28.464 3.028 1.00 72.12 O ATOM 511 CB VAL A 562 12.695 -25.831 2.690 1.00 75.53 C ATOM 512 CG1 VAL A 562 11.375 -26.460 2.244 1.00 12.24 C ATOM 513 CG2 VAL A 562 12.459 -24.367 3.003 1.00 34.44 C ATOM 0 H VAL A 562 15.295 -26.291 3.364 1.00 22.53 H new ATOM 0 HA VAL A 562 12.671 -26.355 4.779 1.00 75.41 H new ATOM 0 HB VAL A 562 13.412 -25.935 1.876 1.00 75.53 H new ATOM 0 HG11 VAL A 562 10.987 -25.918 1.382 1.00 12.24 H new ATOM 0 HG12 VAL A 562 11.542 -27.502 1.972 1.00 12.24 H new ATOM 0 HG13 VAL A 562 10.654 -26.409 3.060 1.00 12.24 H new ATOM 0 HG21 VAL A 562 12.026 -23.874 2.133 1.00 34.44 H new ATOM 0 HG22 VAL A 562 11.774 -24.281 3.847 1.00 34.44 H new ATOM 0 HG23 VAL A 562 13.407 -23.892 3.255 1.00 34.44 H new ATOM 523 N ILE A 563 12.459 -28.826 4.057 1.00 53.32 N ATOM 524 CA ILE A 563 12.410 -30.234 3.720 1.00 54.20 C ATOM 525 C ILE A 563 11.209 -30.397 2.777 1.00 51.40 C ATOM 526 O ILE A 563 10.185 -29.725 2.966 1.00 11.21 O ATOM 527 CB ILE A 563 12.315 -31.105 5.002 1.00 70.11 C ATOM 528 CG1 ILE A 563 13.064 -32.415 4.793 1.00 21.32 C ATOM 529 CG2 ILE A 563 10.857 -31.410 5.406 1.00 13.20 C ATOM 530 CD1 ILE A 563 13.629 -32.981 6.057 1.00 74.32 C ATOM 0 H ILE A 563 11.683 -28.506 4.636 1.00 53.32 H new ATOM 0 HA ILE A 563 13.317 -30.576 3.222 1.00 54.20 H new ATOM 0 HB ILE A 563 12.767 -30.532 5.811 1.00 70.11 H new ATOM 0 HG12 ILE A 563 12.388 -33.145 4.346 1.00 21.32 H new ATOM 0 HG13 ILE A 563 13.874 -32.253 4.082 1.00 21.32 H new ATOM 0 HG21 ILE A 563 10.850 -32.022 6.308 1.00 13.20 H new ATOM 0 HG22 ILE A 563 10.329 -30.476 5.597 1.00 13.20 H new ATOM 0 HG23 ILE A 563 10.361 -31.948 4.599 1.00 13.20 H new ATOM 0 HD11 ILE A 563 14.149 -33.913 5.837 1.00 74.32 H new ATOM 0 HD12 ILE A 563 14.329 -32.269 6.494 1.00 74.32 H new ATOM 0 HD13 ILE A 563 12.821 -33.174 6.762 1.00 74.32 H new ATOM 542 N VAL A 564 11.337 -31.206 1.731 1.00 32.14 N ATOM 543 CA VAL A 564 10.235 -31.380 0.769 1.00 12.34 C ATOM 544 C VAL A 564 9.947 -32.846 0.423 1.00 43.33 C ATOM 545 O VAL A 564 10.778 -33.513 -0.188 1.00 1.54 O ATOM 546 CB VAL A 564 10.500 -30.658 -0.586 1.00 45.41 C ATOM 547 CG1 VAL A 564 9.183 -30.606 -1.413 1.00 61.13 C ATOM 548 CG2 VAL A 564 11.030 -29.246 -0.356 1.00 20.40 C ATOM 0 H VAL A 564 12.176 -31.748 1.522 1.00 32.14 H new ATOM 0 HA VAL A 564 9.381 -30.942 1.286 1.00 12.34 H new ATOM 0 HB VAL A 564 11.255 -31.217 -1.138 1.00 45.41 H new ATOM 0 HG11 VAL A 564 9.368 -30.101 -2.361 1.00 61.13 H new ATOM 0 HG12 VAL A 564 8.833 -31.620 -1.605 1.00 61.13 H new ATOM 0 HG13 VAL A 564 8.423 -30.060 -0.853 1.00 61.13 H new ATOM 0 HG21 VAL A 564 11.207 -28.763 -1.317 1.00 20.40 H new ATOM 0 HG22 VAL A 564 10.298 -28.670 0.210 1.00 20.40 H new ATOM 0 HG23 VAL A 564 11.964 -29.295 0.203 1.00 20.40 H new ATOM 558 N PRO A 565 8.758 -33.355 0.780 1.00 43.03 N ATOM 559 CA PRO A 565 8.390 -34.706 0.349 1.00 61.43 C ATOM 560 C PRO A 565 7.970 -34.848 -1.089 1.00 52.02 C ATOM 561 O PRO A 565 7.441 -33.919 -1.695 1.00 31.31 O ATOM 562 CB PRO A 565 7.194 -35.041 1.254 1.00 50.13 C ATOM 563 CG PRO A 565 6.607 -33.754 1.585 1.00 30.24 C ATOM 564 CD PRO A 565 7.686 -32.732 1.574 1.00 23.14 C ATOM 0 HA PRO A 565 9.257 -35.362 0.427 1.00 61.43 H new ATOM 0 HB2 PRO A 565 6.477 -35.682 0.741 1.00 50.13 H new ATOM 0 HB3 PRO A 565 7.513 -35.573 2.151 1.00 50.13 H new ATOM 0 HG2 PRO A 565 5.831 -33.494 0.865 1.00 30.24 H new ATOM 0 HG3 PRO A 565 6.132 -33.794 2.565 1.00 30.24 H new ATOM 0 HD2 PRO A 565 7.347 -31.799 1.124 1.00 23.14 H new ATOM 0 HD3 PRO A 565 8.023 -32.496 2.583 1.00 23.14 H new ATOM 572 N PHE A 566 8.135 -36.059 -1.597 1.00 31.12 N ATOM 573 CA PHE A 566 7.658 -36.447 -2.907 1.00 44.40 C ATOM 574 C PHE A 566 7.054 -37.827 -2.804 1.00 13.32 C ATOM 575 O PHE A 566 7.265 -38.507 -1.803 1.00 62.13 O ATOM 576 CB PHE A 566 8.828 -36.493 -3.862 1.00 21.14 C ATOM 577 CG PHE A 566 9.909 -37.469 -3.457 1.00 40.53 C ATOM 578 CD1 PHE A 566 10.967 -37.058 -2.621 1.00 55.12 C ATOM 579 CD2 PHE A 566 9.891 -38.796 -3.923 1.00 32.40 C ATOM 580 CE1 PHE A 566 11.993 -37.961 -2.251 1.00 45.44 C ATOM 581 CE2 PHE A 566 10.913 -39.708 -3.557 1.00 71.11 C ATOM 582 CZ PHE A 566 11.966 -39.287 -2.726 1.00 10.41 C ATOM 0 H PHE A 566 8.613 -36.810 -1.099 1.00 31.12 H new ATOM 0 HA PHE A 566 6.916 -35.734 -3.267 1.00 44.40 H new ATOM 0 HB2 PHE A 566 8.464 -36.759 -4.854 1.00 21.14 H new ATOM 0 HB3 PHE A 566 9.262 -35.496 -3.938 1.00 21.14 H new ATOM 0 HD1 PHE A 566 10.995 -36.041 -2.258 1.00 55.12 H new ATOM 0 HD2 PHE A 566 9.089 -39.124 -4.567 1.00 32.40 H new ATOM 0 HE1 PHE A 566 12.795 -37.634 -1.606 1.00 45.44 H new ATOM 0 HE2 PHE A 566 10.883 -40.726 -3.917 1.00 71.11 H new ATOM 0 HZ PHE A 566 12.751 -39.977 -2.453 1.00 10.41 H new ATOM 592 N ARG A 567 6.325 -38.234 -3.834 1.00 41.42 N ATOM 593 CA ARG A 567 5.722 -39.567 -3.911 1.00 52.34 C ATOM 594 C ARG A 567 5.412 -39.879 -5.363 1.00 50.14 C ATOM 595 O ARG A 567 5.243 -38.956 -6.163 1.00 43.54 O ATOM 596 CB ARG A 567 4.434 -39.608 -3.073 1.00 64.33 C ATOM 597 CG ARG A 567 3.414 -38.505 -3.419 1.00 4.20 C ATOM 598 CD ARG A 567 2.500 -38.863 -4.586 1.00 53.34 C ATOM 599 NE ARG A 567 1.777 -40.140 -4.434 1.00 5.24 N ATOM 600 CZ ARG A 567 0.579 -40.315 -3.905 1.00 31.45 C ATOM 601 NH1 ARG A 567 -0.120 -39.334 -3.386 1.00 42.23 N ATOM 602 NH2 ARG A 567 0.071 -41.516 -3.915 1.00 13.51 N ATOM 0 H ARG A 567 6.131 -37.649 -4.647 1.00 41.42 H new ATOM 0 HA ARG A 567 6.414 -40.311 -3.517 1.00 52.34 H new ATOM 0 HB2 ARG A 567 3.959 -40.580 -3.206 1.00 64.33 H new ATOM 0 HB3 ARG A 567 4.698 -39.524 -2.019 1.00 64.33 H new ATOM 0 HG2 ARG A 567 2.803 -38.298 -2.540 1.00 4.20 H new ATOM 0 HG3 ARG A 567 3.951 -37.587 -3.657 1.00 4.20 H new ATOM 0 HD2 ARG A 567 1.772 -38.063 -4.718 1.00 53.34 H new ATOM 0 HD3 ARG A 567 3.097 -38.905 -5.497 1.00 53.34 H new ATOM 0 HE ARG A 567 2.252 -40.976 -4.773 1.00 5.24 H new ATOM 0 HH11 ARG A 567 0.258 -38.387 -3.379 1.00 42.23 H new ATOM 0 HH12 ARG A 567 -1.041 -39.519 -2.989 1.00 42.23 H new ATOM 0 HH21 ARG A 567 0.597 -42.289 -4.324 1.00 13.51 H new ATOM 0 HH22 ARG A 567 -0.852 -41.683 -3.514 1.00 13.51 H new ATOM 616 N THR A 568 5.277 -41.149 -5.697 1.00 40.42 N ATOM 617 CA THR A 568 4.916 -41.549 -7.054 1.00 25.21 C ATOM 618 C THR A 568 3.408 -41.555 -7.227 1.00 31.34 C ATOM 619 O THR A 568 2.675 -41.926 -6.312 1.00 73.43 O ATOM 620 CB THR A 568 5.428 -42.952 -7.332 1.00 4.42 C ATOM 621 OG1 THR A 568 6.561 -43.185 -6.507 1.00 62.44 O ATOM 622 CG2 THR A 568 5.853 -43.120 -8.739 1.00 41.13 C ATOM 0 H THR A 568 5.411 -41.926 -5.050 1.00 40.42 H new ATOM 0 HA THR A 568 5.363 -40.835 -7.745 1.00 25.21 H new ATOM 0 HB THR A 568 4.618 -43.652 -7.129 1.00 4.42 H new ATOM 0 HG1 THR A 568 6.264 -43.447 -5.610 1.00 62.44 H new ATOM 0 HG21 THR A 568 6.212 -44.138 -8.892 1.00 41.13 H new ATOM 0 HG22 THR A 568 5.007 -42.930 -9.400 1.00 41.13 H new ATOM 0 HG23 THR A 568 6.654 -42.416 -8.964 1.00 41.13 H new ATOM 630 N VAL A 569 2.952 -41.129 -8.388 1.00 23.20 N ATOM 631 CA VAL A 569 1.547 -41.079 -8.729 1.00 1.51 C ATOM 632 C VAL A 569 1.446 -41.775 -10.044 1.00 41.15 C ATOM 633 O VAL A 569 2.006 -41.355 -11.044 1.00 55.11 O ATOM 634 CB VAL A 569 1.025 -39.639 -8.934 1.00 61.20 C ATOM 635 CG1 VAL A 569 -0.481 -39.653 -9.259 1.00 3.42 C ATOM 636 CG2 VAL A 569 1.264 -38.776 -7.716 1.00 43.24 C ATOM 0 H VAL A 569 3.563 -40.801 -9.136 1.00 23.20 H new ATOM 0 HA VAL A 569 0.962 -41.524 -7.924 1.00 1.51 H new ATOM 0 HB VAL A 569 1.579 -39.213 -9.771 1.00 61.20 H new ATOM 0 HG11 VAL A 569 -0.832 -38.631 -9.400 1.00 3.42 H new ATOM 0 HG12 VAL A 569 -0.651 -40.225 -10.171 1.00 3.42 H new ATOM 0 HG13 VAL A 569 -1.027 -40.114 -8.435 1.00 3.42 H new ATOM 0 HG21 VAL A 569 0.883 -37.772 -7.901 1.00 43.24 H new ATOM 0 HG22 VAL A 569 0.749 -39.207 -6.858 1.00 43.24 H new ATOM 0 HG23 VAL A 569 2.333 -38.726 -7.510 1.00 43.24 H new ATOM 646 N GLU A 570 0.758 -42.875 -10.016 1.00 2.34 N ATOM 647 CA GLU A 570 0.557 -43.681 -11.186 1.00 13.53 C ATOM 648 C GLU A 570 -0.654 -43.187 -11.985 1.00 23.42 C ATOM 649 O GLU A 570 -1.640 -42.733 -11.414 1.00 55.44 O ATOM 650 CB GLU A 570 0.429 -45.146 -10.768 1.00 62.13 C ATOM 651 CG GLU A 570 0.098 -45.451 -9.275 1.00 54.20 C ATOM 652 CD GLU A 570 -1.161 -44.766 -8.728 1.00 53.32 C ATOM 653 OE1 GLU A 570 -2.281 -45.265 -8.939 1.00 11.12 O ATOM 654 OE2 GLU A 570 -0.991 -43.761 -7.982 1.00 23.33 O ATOM 0 H GLU A 570 0.315 -43.244 -9.174 1.00 2.34 H new ATOM 0 HA GLU A 570 1.416 -43.594 -11.851 1.00 13.53 H new ATOM 0 HB2 GLU A 570 -0.346 -45.603 -11.383 1.00 62.13 H new ATOM 0 HB3 GLU A 570 1.366 -45.647 -11.012 1.00 62.13 H new ATOM 0 HG2 GLU A 570 -0.015 -46.529 -9.158 1.00 54.20 H new ATOM 0 HG3 GLU A 570 0.949 -45.152 -8.663 1.00 54.20 H new ATOM 661 N GLY A 571 -0.543 -43.242 -13.308 1.00 4.20 N ATOM 662 CA GLY A 571 -1.643 -42.864 -14.186 1.00 11.55 C ATOM 663 C GLY A 571 -2.192 -44.144 -14.772 1.00 43.45 C ATOM 664 O GLY A 571 -3.188 -44.681 -14.299 1.00 63.54 O ATOM 0 H GLY A 571 0.300 -43.545 -13.796 1.00 4.20 H new ATOM 0 HA2 GLY A 571 -2.415 -42.330 -13.631 1.00 11.55 H new ATOM 0 HA3 GLY A 571 -1.297 -42.195 -14.974 1.00 11.55 H new ATOM 668 N THR A 572 -1.469 -44.694 -15.735 1.00 54.21 N ATOM 669 CA THR A 572 -1.650 -46.093 -16.117 1.00 70.31 C ATOM 670 C THR A 572 -0.320 -46.741 -15.788 1.00 1.20 C ATOM 671 O THR A 572 0.689 -46.395 -16.384 1.00 20.04 O ATOM 672 CB THR A 572 -2.068 -46.320 -17.606 1.00 73.20 C ATOM 673 OG1 THR A 572 -1.741 -47.658 -17.999 1.00 14.22 O ATOM 674 CG2 THR A 572 -1.386 -45.371 -18.565 1.00 71.41 C ATOM 0 H THR A 572 -0.753 -44.199 -16.267 1.00 54.21 H new ATOM 0 HA THR A 572 -2.488 -46.532 -15.576 1.00 70.31 H new ATOM 0 HB THR A 572 -3.141 -46.137 -17.656 1.00 73.20 H new ATOM 0 HG1 THR A 572 -0.768 -47.750 -18.068 1.00 14.22 H new ATOM 0 HG21 THR A 572 -1.718 -45.580 -19.582 1.00 71.41 H new ATOM 0 HG22 THR A 572 -1.641 -44.344 -18.304 1.00 71.41 H new ATOM 0 HG23 THR A 572 -0.306 -45.504 -18.502 1.00 71.41 H new ATOM 682 N ALA A 573 -0.329 -47.616 -14.793 1.00 63.44 N ATOM 683 CA ALA A 573 0.846 -48.357 -14.341 1.00 53.30 C ATOM 684 C ALA A 573 0.277 -49.352 -13.353 1.00 14.53 C ATOM 685 O ALA A 573 -0.837 -49.151 -12.867 1.00 32.33 O ATOM 686 CB ALA A 573 1.853 -47.436 -13.631 1.00 30.55 C ATOM 0 H ALA A 573 -1.172 -47.838 -14.263 1.00 63.44 H new ATOM 0 HA ALA A 573 1.386 -48.818 -15.168 1.00 53.30 H new ATOM 0 HB1 ALA A 573 2.715 -48.020 -13.308 1.00 30.55 H new ATOM 0 HB2 ALA A 573 2.180 -46.656 -14.319 1.00 30.55 H new ATOM 0 HB3 ALA A 573 1.378 -46.979 -12.763 1.00 30.55 H new ATOM 692 N LYS A 574 1.029 -50.384 -13.006 1.00 12.15 N ATOM 693 CA LYS A 574 0.595 -51.309 -11.974 1.00 73.24 C ATOM 694 C LYS A 574 0.920 -50.721 -10.595 1.00 34.05 C ATOM 695 O LYS A 574 0.231 -50.982 -9.614 1.00 41.43 O ATOM 696 CB LYS A 574 1.329 -52.621 -12.165 1.00 24.13 C ATOM 697 CG LYS A 574 1.123 -53.311 -13.519 1.00 62.12 C ATOM 698 CD LYS A 574 -0.170 -54.130 -13.556 1.00 32.04 C ATOM 699 CE LYS A 574 -0.059 -55.322 -14.522 1.00 41.22 C ATOM 700 NZ LYS A 574 0.998 -56.342 -14.109 1.00 14.03 N ATOM 0 H LYS A 574 1.936 -50.601 -13.420 1.00 12.15 H new ATOM 0 HA LYS A 574 -0.480 -51.476 -12.041 1.00 73.24 H new ATOM 0 HB2 LYS A 574 2.395 -52.442 -12.028 1.00 24.13 H new ATOM 0 HB3 LYS A 574 1.018 -53.308 -11.378 1.00 24.13 H new ATOM 0 HG2 LYS A 574 1.099 -52.560 -14.308 1.00 62.12 H new ATOM 0 HG3 LYS A 574 1.971 -53.964 -13.726 1.00 62.12 H new ATOM 0 HD2 LYS A 574 -0.400 -54.493 -12.554 1.00 32.04 H new ATOM 0 HD3 LYS A 574 -0.998 -53.490 -13.861 1.00 32.04 H new ATOM 0 HE2 LYS A 574 -1.027 -55.819 -14.586 1.00 41.22 H new ATOM 0 HE3 LYS A 574 0.176 -54.951 -15.520 1.00 41.22 H new ATOM 0 HZ1 LYS A 574 0.660 -57.301 -14.329 1.00 14.03 H new ATOM 0 HZ2 LYS A 574 1.880 -56.158 -14.629 1.00 14.03 H new ATOM 0 HZ3 LYS A 574 1.176 -56.263 -13.087 1.00 14.03 H new ATOM 714 N GLY A 575 1.965 -49.900 -10.547 1.00 24.40 N ATOM 715 CA GLY A 575 2.388 -49.251 -9.312 1.00 42.21 C ATOM 716 C GLY A 575 2.922 -50.189 -8.243 1.00 32.31 C ATOM 717 O GLY A 575 3.117 -51.374 -8.481 1.00 71.52 O ATOM 0 H GLY A 575 2.539 -49.667 -11.358 1.00 24.40 H new ATOM 0 HA2 GLY A 575 3.160 -48.519 -9.550 1.00 42.21 H new ATOM 0 HA3 GLY A 575 1.542 -48.700 -8.901 1.00 42.21 H new ATOM 721 N GLY A 576 3.144 -49.660 -7.048 1.00 20.13 N ATOM 722 CA GLY A 576 3.556 -50.487 -5.924 1.00 2.13 C ATOM 723 C GLY A 576 4.990 -50.944 -6.048 1.00 75.51 C ATOM 724 O GLY A 576 5.897 -50.174 -5.802 1.00 73.13 O ATOM 0 H GLY A 576 3.046 -48.668 -6.833 1.00 20.13 H new ATOM 0 HA2 GLY A 576 3.434 -49.925 -4.998 1.00 2.13 H new ATOM 0 HA3 GLY A 576 2.903 -51.358 -5.857 1.00 2.13 H new ATOM 728 N GLY A 577 5.174 -52.217 -6.359 1.00 61.11 N ATOM 729 CA GLY A 577 6.489 -52.770 -6.672 1.00 72.11 C ATOM 730 C GLY A 577 6.473 -53.402 -8.044 1.00 63.44 C ATOM 731 O GLY A 577 7.320 -54.224 -8.346 1.00 65.02 O ATOM 0 H GLY A 577 4.417 -52.900 -6.403 1.00 61.11 H new ATOM 0 HA2 GLY A 577 7.242 -51.982 -6.635 1.00 72.11 H new ATOM 0 HA3 GLY A 577 6.767 -53.513 -5.924 1.00 72.11 H new ATOM 735 N GLU A 578 5.390 -53.173 -8.774 1.00 64.23 N ATOM 736 CA GLU A 578 5.102 -53.922 -9.995 1.00 72.02 C ATOM 737 C GLU A 578 5.536 -53.276 -11.326 1.00 62.24 C ATOM 738 O GLU A 578 6.111 -53.947 -12.161 1.00 72.14 O ATOM 739 CB GLU A 578 3.617 -54.218 -9.988 1.00 72.20 C ATOM 740 CG GLU A 578 3.180 -55.285 -10.967 1.00 44.15 C ATOM 741 CD GLU A 578 1.913 -56.017 -10.501 1.00 2.51 C ATOM 742 OE1 GLU A 578 1.854 -56.442 -9.326 1.00 14.23 O ATOM 743 OE2 GLU A 578 0.981 -56.176 -11.318 1.00 12.24 O ATOM 0 H GLU A 578 4.690 -52.469 -8.541 1.00 64.23 H new ATOM 0 HA GLU A 578 5.716 -54.822 -9.967 1.00 72.02 H new ATOM 0 HB2 GLU A 578 3.326 -54.525 -8.983 1.00 72.20 H new ATOM 0 HB3 GLU A 578 3.076 -53.298 -10.209 1.00 72.20 H new ATOM 0 HG2 GLU A 578 2.997 -54.830 -11.940 1.00 44.15 H new ATOM 0 HG3 GLU A 578 3.986 -56.006 -11.099 1.00 44.15 H new ATOM 750 N ASP A 579 5.254 -51.989 -11.526 1.00 45.13 N ATOM 751 CA ASP A 579 5.720 -51.276 -12.739 1.00 4.53 C ATOM 752 C ASP A 579 6.870 -50.360 -12.350 1.00 42.42 C ATOM 753 O ASP A 579 7.857 -50.188 -13.057 1.00 70.32 O ATOM 754 CB ASP A 579 4.599 -50.425 -13.323 1.00 72.33 C ATOM 755 CG ASP A 579 5.111 -49.388 -14.310 1.00 72.15 C ATOM 756 OD1 ASP A 579 5.669 -49.763 -15.347 1.00 61.44 O ATOM 757 OD2 ASP A 579 4.924 -48.187 -14.036 1.00 63.12 O ATOM 0 H ASP A 579 4.713 -51.415 -10.879 1.00 45.13 H new ATOM 0 HA ASP A 579 6.036 -52.008 -13.483 1.00 4.53 H new ATOM 0 HB2 ASP A 579 3.878 -51.072 -13.822 1.00 72.33 H new ATOM 0 HB3 ASP A 579 4.070 -49.922 -12.514 1.00 72.33 H new ATOM 762 N PHE A 580 6.763 -49.826 -11.153 1.00 73.05 N ATOM 763 CA PHE A 580 7.825 -49.040 -10.571 1.00 40.31 C ATOM 764 C PHE A 580 7.722 -49.335 -9.106 1.00 61.43 C ATOM 765 O PHE A 580 6.676 -49.791 -8.637 1.00 12.22 O ATOM 766 CB PHE A 580 7.665 -47.531 -10.847 1.00 33.13 C ATOM 767 CG PHE A 580 6.339 -46.959 -10.398 1.00 43.12 C ATOM 768 CD1 PHE A 580 6.038 -46.808 -9.028 1.00 51.45 C ATOM 769 CD2 PHE A 580 5.388 -46.557 -11.346 1.00 10.42 C ATOM 770 CE1 PHE A 580 4.798 -46.288 -8.612 1.00 60.50 C ATOM 771 CE2 PHE A 580 4.148 -46.023 -10.941 1.00 64.32 C ATOM 772 CZ PHE A 580 3.856 -45.891 -9.567 1.00 14.21 C ATOM 0 H PHE A 580 5.940 -49.925 -10.559 1.00 73.05 H new ATOM 0 HA PHE A 580 8.797 -49.294 -10.995 1.00 40.31 H new ATOM 0 HB2 PHE A 580 8.469 -46.993 -10.345 1.00 33.13 H new ATOM 0 HB3 PHE A 580 7.782 -47.354 -11.916 1.00 33.13 H new ATOM 0 HD1 PHE A 580 6.770 -47.096 -8.288 1.00 51.45 H new ATOM 0 HD2 PHE A 580 5.608 -46.658 -12.399 1.00 10.42 H new ATOM 0 HE1 PHE A 580 4.575 -46.196 -7.559 1.00 60.50 H new ATOM 0 HE2 PHE A 580 3.423 -45.716 -11.680 1.00 64.32 H new ATOM 0 HZ PHE A 580 2.906 -45.484 -9.253 1.00 14.21 H new ATOM 782 N GLU A 581 8.783 -49.046 -8.382 1.00 31.53 N ATOM 783 CA GLU A 581 8.740 -49.119 -6.928 1.00 23.50 C ATOM 784 C GLU A 581 8.322 -47.749 -6.423 1.00 53.22 C ATOM 785 O GLU A 581 8.937 -46.744 -6.785 1.00 32.40 O ATOM 786 CB GLU A 581 10.100 -49.521 -6.355 1.00 43.20 C ATOM 787 CG GLU A 581 10.498 -50.936 -6.745 1.00 35.33 C ATOM 788 CD GLU A 581 11.827 -51.372 -6.156 1.00 41.33 C ATOM 789 OE1 GLU A 581 12.439 -50.613 -5.371 1.00 44.33 O ATOM 790 OE2 GLU A 581 12.312 -52.458 -6.556 1.00 4.33 O ATOM 0 H GLU A 581 9.682 -48.760 -8.769 1.00 31.53 H new ATOM 0 HA GLU A 581 8.029 -49.880 -6.606 1.00 23.50 H new ATOM 0 HB2 GLU A 581 10.860 -48.823 -6.706 1.00 43.20 H new ATOM 0 HB3 GLU A 581 10.071 -49.441 -5.268 1.00 43.20 H new ATOM 0 HG2 GLU A 581 9.720 -51.627 -6.419 1.00 35.33 H new ATOM 0 HG3 GLU A 581 10.551 -51.004 -7.832 1.00 35.33 H new ATOM 797 N ASP A 582 7.242 -47.701 -5.648 1.00 52.31 N ATOM 798 CA ASP A 582 6.708 -46.431 -5.152 1.00 70.22 C ATOM 799 C ASP A 582 7.725 -45.748 -4.296 1.00 23.22 C ATOM 800 O ASP A 582 8.117 -46.187 -3.213 1.00 20.33 O ATOM 801 CB ASP A 582 5.421 -46.601 -4.376 1.00 25.14 C ATOM 802 CG ASP A 582 4.769 -45.260 -3.996 1.00 43.24 C ATOM 803 OD1 ASP A 582 5.250 -44.182 -4.428 1.00 43.44 O ATOM 804 OD2 ASP A 582 3.757 -45.289 -3.268 1.00 62.31 O ATOM 0 H ASP A 582 6.719 -48.524 -5.349 1.00 52.31 H new ATOM 0 HA ASP A 582 6.481 -45.820 -6.026 1.00 70.22 H new ATOM 0 HB2 ASP A 582 4.719 -47.185 -4.971 1.00 25.14 H new ATOM 0 HB3 ASP A 582 5.622 -47.171 -3.469 1.00 25.14 H new ATOM 809 N ALA A 583 8.191 -44.676 -4.875 1.00 41.24 N ATOM 810 CA ALA A 583 9.274 -43.923 -4.365 1.00 23.11 C ATOM 811 C ALA A 583 8.784 -42.648 -3.706 1.00 61.23 C ATOM 812 O ALA A 583 8.416 -41.674 -4.371 1.00 60.20 O ATOM 813 CB ALA A 583 10.175 -43.636 -5.469 1.00 23.01 C ATOM 0 H ALA A 583 7.806 -44.301 -5.742 1.00 41.24 H new ATOM 0 HA ALA A 583 9.800 -44.490 -3.597 1.00 23.11 H new ATOM 0 HB1 ALA A 583 11.022 -43.055 -5.105 1.00 23.01 H new ATOM 0 HB2 ALA A 583 10.534 -44.571 -5.898 1.00 23.01 H new ATOM 0 HB3 ALA A 583 9.645 -43.066 -6.232 1.00 23.01 H new ATOM 819 N TYR A 584 8.799 -42.654 -2.387 1.00 75.04 N ATOM 820 CA TYR A 584 8.410 -41.495 -1.613 1.00 71.31 C ATOM 821 C TYR A 584 9.432 -41.273 -0.519 1.00 64.44 C ATOM 822 O TYR A 584 9.962 -42.218 0.060 1.00 0.21 O ATOM 823 CB TYR A 584 7.004 -41.684 -1.033 1.00 64.53 C ATOM 824 CG TYR A 584 6.778 -43.037 -0.389 1.00 23.41 C ATOM 825 CD1 TYR A 584 7.125 -43.282 0.956 1.00 40.23 C ATOM 826 CD2 TYR A 584 6.209 -44.086 -1.132 1.00 64.44 C ATOM 827 CE1 TYR A 584 6.915 -44.565 1.537 1.00 1.44 C ATOM 828 CE2 TYR A 584 5.998 -45.363 -0.563 1.00 31.25 C ATOM 829 CZ TYR A 584 6.356 -45.595 0.767 1.00 71.01 C ATOM 830 OH TYR A 584 6.154 -46.829 1.329 1.00 70.40 O ATOM 0 H TYR A 584 9.080 -43.458 -1.826 1.00 75.04 H new ATOM 0 HA TYR A 584 8.380 -40.614 -2.254 1.00 71.31 H new ATOM 0 HB2 TYR A 584 6.820 -40.906 -0.292 1.00 64.53 H new ATOM 0 HB3 TYR A 584 6.272 -41.546 -1.829 1.00 64.53 H new ATOM 0 HD1 TYR A 584 7.554 -42.489 1.551 1.00 40.23 H new ATOM 0 HD2 TYR A 584 5.927 -43.913 -2.160 1.00 64.44 H new ATOM 0 HE1 TYR A 584 7.185 -44.744 2.567 1.00 1.44 H new ATOM 0 HE2 TYR A 584 5.562 -46.155 -1.154 1.00 31.25 H new ATOM 0 HH TYR A 584 5.758 -47.430 0.664 1.00 70.40 H new ATOM 840 N GLY A 585 9.741 -40.017 -0.260 1.00 4.13 N ATOM 841 CA GLY A 585 10.721 -39.689 0.759 1.00 73.55 C ATOM 842 C GLY A 585 10.758 -38.197 0.904 1.00 51.32 C ATOM 843 O GLY A 585 9.919 -37.521 0.316 1.00 20.10 O ATOM 0 H GLY A 585 9.332 -39.213 -0.736 1.00 4.13 H new ATOM 0 HA2 GLY A 585 10.456 -40.157 1.707 1.00 73.55 H new ATOM 0 HA3 GLY A 585 11.703 -40.069 0.479 1.00 73.55 H new ATOM 847 N GLU A 586 11.717 -37.675 1.653 1.00 33.10 N ATOM 848 CA GLU A 586 11.861 -36.232 1.821 1.00 71.44 C ATOM 849 C GLU A 586 13.232 -35.770 1.381 1.00 53.11 C ATOM 850 O GLU A 586 14.214 -36.501 1.470 1.00 15.11 O ATOM 851 CB GLU A 586 11.631 -35.813 3.268 1.00 0.04 C ATOM 852 CG GLU A 586 10.167 -35.798 3.643 1.00 13.25 C ATOM 853 CD GLU A 586 9.849 -34.919 4.838 1.00 23.42 C ATOM 854 OE1 GLU A 586 10.552 -34.971 5.863 1.00 51.00 O ATOM 855 OE2 GLU A 586 8.854 -34.164 4.743 1.00 54.33 O ATOM 0 H GLU A 586 12.410 -38.228 2.157 1.00 33.10 H new ATOM 0 HA GLU A 586 11.103 -35.762 1.194 1.00 71.44 H new ATOM 0 HB2 GLU A 586 12.165 -36.496 3.929 1.00 0.04 H new ATOM 0 HB3 GLU A 586 12.053 -34.821 3.427 1.00 0.04 H new ATOM 0 HG2 GLU A 586 9.586 -35.455 2.787 1.00 13.25 H new ATOM 0 HG3 GLU A 586 9.846 -36.817 3.858 1.00 13.25 H new ATOM 862 N LEU A 587 13.273 -34.542 0.891 1.00 0.13 N ATOM 863 CA LEU A 587 14.485 -33.947 0.356 1.00 63.13 C ATOM 864 C LEU A 587 14.877 -32.735 1.170 1.00 33.12 C ATOM 865 O LEU A 587 14.109 -31.779 1.267 1.00 14.04 O ATOM 866 CB LEU A 587 14.225 -33.496 -1.083 1.00 32.31 C ATOM 867 CG LEU A 587 13.716 -34.580 -2.038 1.00 73.35 C ATOM 868 CD1 LEU A 587 13.120 -33.933 -3.257 1.00 42.32 C ATOM 869 CD2 LEU A 587 14.809 -35.548 -2.453 1.00 33.51 C ATOM 0 H LEU A 587 12.461 -33.926 0.853 1.00 0.13 H new ATOM 0 HA LEU A 587 15.286 -34.685 0.392 1.00 63.13 H new ATOM 0 HB2 LEU A 587 13.498 -32.684 -1.064 1.00 32.31 H new ATOM 0 HB3 LEU A 587 15.150 -33.086 -1.488 1.00 32.31 H new ATOM 0 HG LEU A 587 12.959 -35.157 -1.506 1.00 73.35 H new ATOM 0 HD11 LEU A 587 12.757 -34.704 -3.937 1.00 42.32 H new ATOM 0 HD12 LEU A 587 12.290 -33.292 -2.960 1.00 42.32 H new ATOM 0 HD13 LEU A 587 13.880 -33.334 -3.759 1.00 42.32 H new ATOM 0 HD21 LEU A 587 14.395 -36.296 -3.130 1.00 33.51 H new ATOM 0 HD22 LEU A 587 15.606 -35.002 -2.959 1.00 33.51 H new ATOM 0 HD23 LEU A 587 15.212 -36.042 -1.569 1.00 33.51 H new ATOM 881 N GLU A 588 16.065 -32.751 1.744 1.00 52.43 N ATOM 882 CA GLU A 588 16.563 -31.586 2.458 1.00 75.44 C ATOM 883 C GLU A 588 17.088 -30.575 1.445 1.00 45.42 C ATOM 884 O GLU A 588 17.940 -30.884 0.609 1.00 5.52 O ATOM 885 CB GLU A 588 17.684 -31.957 3.436 1.00 74.23 C ATOM 886 CG GLU A 588 18.083 -30.778 4.329 1.00 42.35 C ATOM 887 CD GLU A 588 19.268 -31.072 5.238 1.00 41.14 C ATOM 888 OE1 GLU A 588 19.855 -32.164 5.148 1.00 35.31 O ATOM 889 OE2 GLU A 588 19.637 -30.168 6.026 1.00 34.12 O ATOM 0 H GLU A 588 16.700 -33.549 1.732 1.00 52.43 H new ATOM 0 HA GLU A 588 15.743 -31.161 3.037 1.00 75.44 H new ATOM 0 HB2 GLU A 588 17.360 -32.790 4.060 1.00 74.23 H new ATOM 0 HB3 GLU A 588 18.555 -32.298 2.876 1.00 74.23 H new ATOM 0 HG2 GLU A 588 18.323 -29.922 3.699 1.00 42.35 H new ATOM 0 HG3 GLU A 588 17.228 -30.493 4.942 1.00 42.35 H new ATOM 896 N PHE A 589 16.588 -29.359 1.552 1.00 10.13 N ATOM 897 CA PHE A 589 17.053 -28.240 0.741 1.00 32.14 C ATOM 898 C PHE A 589 17.557 -27.157 1.669 1.00 0.02 C ATOM 899 O PHE A 589 16.778 -26.544 2.379 1.00 14.33 O ATOM 900 CB PHE A 589 15.886 -27.640 -0.030 1.00 21.13 C ATOM 901 CG PHE A 589 15.681 -28.225 -1.382 1.00 71.10 C ATOM 902 CD1 PHE A 589 14.855 -29.348 -1.567 1.00 54.33 C ATOM 903 CD2 PHE A 589 16.268 -27.610 -2.501 1.00 62.22 C ATOM 904 CE1 PHE A 589 14.603 -29.838 -2.866 1.00 42.32 C ATOM 905 CE2 PHE A 589 16.025 -28.093 -3.797 1.00 53.02 C ATOM 906 CZ PHE A 589 15.190 -29.194 -3.981 1.00 12.20 C ATOM 0 H PHE A 589 15.844 -29.114 2.206 1.00 10.13 H new ATOM 0 HA PHE A 589 17.827 -28.592 0.059 1.00 32.14 H new ATOM 0 HB2 PHE A 589 14.974 -27.772 0.553 1.00 21.13 H new ATOM 0 HB3 PHE A 589 16.046 -26.567 -0.132 1.00 21.13 H new ATOM 0 HD1 PHE A 589 14.412 -29.837 -0.712 1.00 54.33 H new ATOM 0 HD2 PHE A 589 16.914 -26.756 -2.363 1.00 62.22 H new ATOM 0 HE1 PHE A 589 13.966 -30.699 -3.008 1.00 42.32 H new ATOM 0 HE2 PHE A 589 16.484 -27.613 -4.649 1.00 53.02 H new ATOM 0 HZ PHE A 589 14.990 -29.557 -4.978 1.00 12.20 H new ATOM 916 N LYS A 590 18.835 -26.839 1.587 1.00 5.02 N ATOM 917 CA LYS A 590 19.426 -25.743 2.359 1.00 53.33 C ATOM 918 C LYS A 590 19.675 -24.587 1.390 1.00 21.45 C ATOM 919 O LYS A 590 19.254 -24.650 0.243 1.00 30.24 O ATOM 920 CB LYS A 590 20.719 -26.202 3.046 1.00 71.21 C ATOM 921 CG LYS A 590 20.579 -27.572 3.737 1.00 65.14 C ATOM 922 CD LYS A 590 21.818 -27.961 4.550 1.00 3.41 C ATOM 923 CE LYS A 590 21.867 -27.284 5.929 1.00 72.40 C ATOM 924 NZ LYS A 590 20.731 -27.728 6.812 1.00 41.11 N ATOM 0 H LYS A 590 19.499 -27.328 0.986 1.00 5.02 H new ATOM 0 HA LYS A 590 18.755 -25.418 3.154 1.00 53.33 H new ATOM 0 HB2 LYS A 590 21.518 -26.254 2.307 1.00 71.21 H new ATOM 0 HB3 LYS A 590 21.016 -25.457 3.784 1.00 71.21 H new ATOM 0 HG2 LYS A 590 19.710 -27.554 4.395 1.00 65.14 H new ATOM 0 HG3 LYS A 590 20.392 -28.336 2.983 1.00 65.14 H new ATOM 0 HD2 LYS A 590 21.835 -29.043 4.682 1.00 3.41 H new ATOM 0 HD3 LYS A 590 22.713 -27.694 3.988 1.00 3.41 H new ATOM 0 HE2 LYS A 590 22.816 -27.515 6.414 1.00 72.40 H new ATOM 0 HE3 LYS A 590 21.828 -26.202 5.804 1.00 72.40 H new ATOM 0 HZ1 LYS A 590 21.042 -27.727 7.804 1.00 41.11 H new ATOM 0 HZ2 LYS A 590 19.929 -27.076 6.700 1.00 41.11 H new ATOM 0 HZ3 LYS A 590 20.437 -28.688 6.543 1.00 41.11 H new ATOM 938 N ASN A 591 20.332 -23.537 1.862 1.00 51.13 N ATOM 939 CA ASN A 591 20.590 -22.333 1.076 1.00 62.43 C ATOM 940 C ASN A 591 21.115 -22.536 -0.361 1.00 71.41 C ATOM 941 O ASN A 591 20.442 -22.145 -1.299 1.00 20.13 O ATOM 942 CB ASN A 591 21.584 -21.472 1.864 1.00 64.42 C ATOM 943 CG ASN A 591 21.821 -20.127 1.234 1.00 22.30 C ATOM 944 OD1 ASN A 591 22.910 -19.603 1.285 1.00 74.31 O ATOM 945 ND2 ASN A 591 20.801 -19.551 0.678 1.00 23.33 N ATOM 0 H ASN A 591 20.706 -23.494 2.810 1.00 51.13 H new ATOM 0 HA ASN A 591 19.618 -21.861 0.931 1.00 62.43 H new ATOM 0 HB2 ASN A 591 21.211 -21.332 2.878 1.00 64.42 H new ATOM 0 HB3 ASN A 591 22.533 -22.002 1.944 1.00 64.42 H new ATOM 0 HD21 ASN A 591 20.902 -18.624 0.264 1.00 23.33 H new ATOM 0 HD22 ASN A 591 19.898 -20.025 0.654 1.00 23.33 H new ATOM 952 N ASP A 592 22.324 -23.069 -0.519 1.00 33.21 N ATOM 953 CA ASP A 592 22.946 -23.228 -1.855 1.00 10.51 C ATOM 954 C ASP A 592 22.444 -24.481 -2.583 1.00 5.32 C ATOM 955 O ASP A 592 22.462 -24.585 -3.798 1.00 2.10 O ATOM 956 CB ASP A 592 24.468 -23.289 -1.707 1.00 52.34 C ATOM 957 CG ASP A 592 25.197 -22.637 -2.876 1.00 65.12 C ATOM 958 OD1 ASP A 592 24.705 -21.606 -3.387 1.00 23.42 O ATOM 959 OD2 ASP A 592 26.301 -23.104 -3.222 1.00 50.11 O ATOM 0 H ASP A 592 22.902 -23.401 0.253 1.00 33.21 H new ATOM 0 HA ASP A 592 22.661 -22.365 -2.457 1.00 10.51 H new ATOM 0 HB2 ASP A 592 24.759 -22.794 -0.780 1.00 52.34 H new ATOM 0 HB3 ASP A 592 24.780 -24.330 -1.624 1.00 52.34 H new ATOM 964 N GLU A 593 21.960 -25.404 -1.764 1.00 62.21 N ATOM 965 CA GLU A 593 21.359 -26.702 -2.147 1.00 1.02 C ATOM 966 C GLU A 593 20.138 -26.677 -3.072 1.00 45.41 C ATOM 967 O GLU A 593 19.333 -27.599 -3.038 1.00 13.03 O ATOM 968 CB GLU A 593 21.012 -27.500 -0.885 1.00 30.42 C ATOM 969 CG GLU A 593 22.189 -27.806 0.027 1.00 3.24 C ATOM 970 CD GLU A 593 23.164 -28.788 -0.586 1.00 30.33 C ATOM 971 OE1 GLU A 593 22.703 -29.816 -1.134 1.00 61.32 O ATOM 972 OE2 GLU A 593 24.379 -28.568 -0.476 1.00 72.11 O ATOM 0 H GLU A 593 21.970 -25.272 -0.753 1.00 62.21 H new ATOM 0 HA GLU A 593 22.137 -27.171 -2.749 1.00 1.02 H new ATOM 0 HB2 GLU A 593 20.266 -26.945 -0.316 1.00 30.42 H new ATOM 0 HB3 GLU A 593 20.550 -28.441 -1.184 1.00 30.42 H new ATOM 0 HG2 GLU A 593 22.712 -26.879 0.261 1.00 3.24 H new ATOM 0 HG3 GLU A 593 21.818 -28.209 0.969 1.00 3.24 H new ATOM 979 N THR A 594 19.897 -25.577 -3.765 1.00 11.41 N ATOM 980 CA THR A 594 18.658 -25.365 -4.513 1.00 1.34 C ATOM 981 C THR A 594 18.562 -26.237 -5.761 1.00 41.44 C ATOM 982 O THR A 594 17.696 -26.021 -6.609 1.00 10.24 O ATOM 983 CB THR A 594 18.595 -23.911 -5.029 1.00 2.35 C ATOM 984 OG1 THR A 594 19.703 -23.671 -5.897 1.00 62.11 O ATOM 985 CG2 THR A 594 18.681 -22.923 -3.902 1.00 44.10 C ATOM 0 H THR A 594 20.554 -24.800 -3.828 1.00 11.41 H new ATOM 0 HA THR A 594 17.853 -25.609 -3.819 1.00 1.34 H new ATOM 0 HB THR A 594 17.645 -23.786 -5.548 1.00 2.35 H new ATOM 0 HG1 THR A 594 19.666 -22.749 -6.228 1.00 62.11 H new ATOM 0 HG21 THR A 594 18.634 -21.910 -4.302 1.00 44.10 H new ATOM 0 HG22 THR A 594 17.850 -23.081 -3.215 1.00 44.10 H new ATOM 0 HG23 THR A 594 19.622 -23.059 -3.370 1.00 44.10 H new ATOM 993 N VAL A 595 19.405 -27.256 -5.829 1.00 52.24 N ATOM 994 CA VAL A 595 19.327 -28.285 -6.858 1.00 33.43 C ATOM 995 C VAL A 595 19.337 -29.628 -6.135 1.00 64.30 C ATOM 996 O VAL A 595 20.258 -29.927 -5.373 1.00 43.43 O ATOM 997 CB VAL A 595 20.537 -28.228 -7.838 1.00 54.43 C ATOM 998 CG1 VAL A 595 20.116 -28.737 -9.225 1.00 4.55 C ATOM 999 CG2 VAL A 595 21.100 -26.793 -7.941 1.00 12.33 C ATOM 0 H VAL A 595 20.169 -27.394 -5.167 1.00 52.24 H new ATOM 0 HA VAL A 595 18.425 -28.136 -7.452 1.00 33.43 H new ATOM 0 HB VAL A 595 21.325 -28.872 -7.447 1.00 54.43 H new ATOM 0 HG11 VAL A 595 20.968 -28.693 -9.903 1.00 4.55 H new ATOM 0 HG12 VAL A 595 19.769 -29.767 -9.145 1.00 4.55 H new ATOM 0 HG13 VAL A 595 19.312 -28.112 -9.613 1.00 4.55 H new ATOM 0 HG21 VAL A 595 21.944 -26.782 -8.631 1.00 12.33 H new ATOM 0 HG22 VAL A 595 20.323 -26.123 -8.307 1.00 12.33 H new ATOM 0 HG23 VAL A 595 21.432 -26.461 -6.957 1.00 12.33 H new ATOM 1009 N LYS A 596 18.307 -30.430 -6.352 1.00 1.43 N ATOM 1010 CA LYS A 596 18.207 -31.749 -5.728 1.00 3.35 C ATOM 1011 C LYS A 596 17.557 -32.676 -6.720 1.00 72.42 C ATOM 1012 O LYS A 596 17.175 -32.236 -7.791 1.00 23.24 O ATOM 1013 CB LYS A 596 17.379 -31.655 -4.438 1.00 53.23 C ATOM 1014 CG LYS A 596 17.602 -32.783 -3.411 1.00 52.14 C ATOM 1015 CD LYS A 596 19.068 -32.971 -3.007 1.00 32.52 C ATOM 1016 CE LYS A 596 19.630 -31.709 -2.379 1.00 1.55 C ATOM 1017 NZ LYS A 596 21.028 -31.893 -1.871 1.00 60.20 N ATOM 0 H LYS A 596 17.522 -30.193 -6.958 1.00 1.43 H new ATOM 0 HA LYS A 596 19.193 -32.128 -5.460 1.00 3.35 H new ATOM 0 HB2 LYS A 596 17.600 -30.702 -3.956 1.00 53.23 H new ATOM 0 HB3 LYS A 596 16.323 -31.639 -4.707 1.00 53.23 H new ATOM 0 HG2 LYS A 596 17.013 -32.571 -2.519 1.00 52.14 H new ATOM 0 HG3 LYS A 596 17.226 -33.718 -3.826 1.00 52.14 H new ATOM 0 HD2 LYS A 596 19.151 -33.799 -2.303 1.00 32.52 H new ATOM 0 HD3 LYS A 596 19.658 -33.238 -3.884 1.00 32.52 H new ATOM 0 HE2 LYS A 596 19.617 -30.905 -3.114 1.00 1.55 H new ATOM 0 HE3 LYS A 596 18.986 -31.399 -1.556 1.00 1.55 H new ATOM 0 HZ1 LYS A 596 21.491 -30.966 -1.784 1.00 60.20 H new ATOM 0 HZ2 LYS A 596 21.001 -32.355 -0.940 1.00 60.20 H new ATOM 0 HZ3 LYS A 596 21.564 -32.486 -2.536 1.00 60.20 H new ATOM 1031 N THR A 597 17.438 -33.947 -6.389 1.00 1.12 N ATOM 1032 CA THR A 597 16.883 -34.918 -7.297 1.00 2.22 C ATOM 1033 C THR A 597 16.027 -35.947 -6.576 1.00 34.14 C ATOM 1034 O THR A 597 16.233 -36.216 -5.397 1.00 44.32 O ATOM 1035 CB THR A 597 18.043 -35.647 -7.961 1.00 61.43 C ATOM 1036 OG1 THR A 597 19.266 -35.264 -7.326 1.00 44.22 O ATOM 1037 CG2 THR A 597 18.167 -35.318 -9.452 1.00 42.22 C ATOM 0 H THR A 597 17.723 -34.329 -5.487 1.00 1.12 H new ATOM 0 HA THR A 597 16.253 -34.398 -8.018 1.00 2.22 H new ATOM 0 HB THR A 597 17.850 -36.715 -7.857 1.00 61.43 H new ATOM 0 HG1 THR A 597 20.015 -35.733 -7.750 1.00 44.22 H new ATOM 0 HG21 THR A 597 19.010 -35.864 -9.876 1.00 42.22 H new ATOM 0 HG22 THR A 597 17.251 -35.608 -9.966 1.00 42.22 H new ATOM 0 HG23 THR A 597 18.329 -34.247 -9.576 1.00 42.22 H new ATOM 1045 N ILE A 598 15.079 -36.522 -7.303 1.00 12.53 N ATOM 1046 CA ILE A 598 14.220 -37.603 -6.800 1.00 3.51 C ATOM 1047 C ILE A 598 14.528 -38.805 -7.636 1.00 45.14 C ATOM 1048 O ILE A 598 14.550 -38.699 -8.843 1.00 64.22 O ATOM 1049 CB ILE A 598 12.711 -37.286 -6.972 1.00 5.22 C ATOM 1050 CG1 ILE A 598 12.337 -36.204 -5.961 1.00 31.20 C ATOM 1051 CG2 ILE A 598 11.839 -38.574 -6.810 1.00 20.41 C ATOM 1052 CD1 ILE A 598 10.996 -35.544 -6.168 1.00 30.43 C ATOM 0 H ILE A 598 14.877 -36.255 -8.266 1.00 12.53 H new ATOM 0 HA ILE A 598 14.411 -37.747 -5.737 1.00 3.51 H new ATOM 0 HB ILE A 598 12.515 -36.919 -7.979 1.00 5.22 H new ATOM 0 HG12 ILE A 598 12.354 -36.644 -4.964 1.00 31.20 H new ATOM 0 HG13 ILE A 598 13.107 -35.433 -5.982 1.00 31.20 H new ATOM 0 HG21 ILE A 598 10.787 -38.319 -6.936 1.00 20.41 H new ATOM 0 HG22 ILE A 598 12.128 -39.306 -7.564 1.00 20.41 H new ATOM 0 HG23 ILE A 598 11.994 -38.996 -5.817 1.00 20.41 H new ATOM 0 HD11 ILE A 598 10.836 -34.794 -5.393 1.00 30.43 H new ATOM 0 HD12 ILE A 598 10.973 -35.065 -7.147 1.00 30.43 H new ATOM 0 HD13 ILE A 598 10.208 -36.295 -6.113 1.00 30.43 H new ATOM 1064 N ARG A 599 14.740 -39.939 -6.987 1.00 72.20 N ATOM 1065 CA ARG A 599 15.010 -41.203 -7.671 1.00 62.32 C ATOM 1066 C ARG A 599 13.856 -42.177 -7.508 1.00 30.35 C ATOM 1067 O ARG A 599 13.412 -42.417 -6.392 1.00 73.21 O ATOM 1068 CB ARG A 599 16.288 -41.838 -7.119 1.00 5.25 C ATOM 1069 CG ARG A 599 17.508 -41.283 -7.789 1.00 20.22 C ATOM 1070 CD ARG A 599 18.770 -42.067 -7.538 1.00 52.32 C ATOM 1071 NE ARG A 599 19.844 -41.429 -8.312 1.00 61.32 N ATOM 1072 CZ ARG A 599 20.915 -42.024 -8.810 1.00 31.43 C ATOM 1073 NH1 ARG A 599 21.166 -43.300 -8.634 1.00 34.41 N ATOM 1074 NH2 ARG A 599 21.747 -41.308 -9.508 1.00 3.11 N ATOM 0 H ARG A 599 14.731 -40.014 -5.970 1.00 72.20 H new ATOM 0 HA ARG A 599 15.134 -40.985 -8.732 1.00 62.32 H new ATOM 0 HB2 ARG A 599 16.349 -41.662 -6.045 1.00 5.25 H new ATOM 0 HB3 ARG A 599 16.251 -42.918 -7.263 1.00 5.25 H new ATOM 0 HG2 ARG A 599 17.329 -41.241 -8.863 1.00 20.22 H new ATOM 0 HG3 ARG A 599 17.659 -40.258 -7.450 1.00 20.22 H new ATOM 0 HD2 ARG A 599 19.014 -42.073 -6.476 1.00 52.32 H new ATOM 0 HD3 ARG A 599 18.643 -43.106 -7.841 1.00 52.32 H new ATOM 0 HE ARG A 599 19.755 -40.427 -8.482 1.00 61.32 H new ATOM 0 HH11 ARG A 599 20.521 -43.877 -8.093 1.00 34.41 H new ATOM 0 HH12 ARG A 599 22.006 -43.715 -9.038 1.00 34.41 H new ATOM 0 HH21 ARG A 599 21.564 -40.316 -9.658 1.00 3.11 H new ATOM 0 HH22 ARG A 599 22.582 -41.739 -9.905 1.00 3.11 H new ATOM 1088 N VAL A 600 13.405 -42.748 -8.617 1.00 33.23 N ATOM 1089 CA VAL A 600 12.337 -43.761 -8.611 1.00 11.11 C ATOM 1090 C VAL A 600 12.799 -44.975 -9.412 1.00 23.11 C ATOM 1091 O VAL A 600 13.029 -44.873 -10.617 1.00 22.42 O ATOM 1092 CB VAL A 600 11.024 -43.210 -9.250 1.00 54.55 C ATOM 1093 CG1 VAL A 600 9.915 -44.242 -9.216 1.00 3.33 C ATOM 1094 CG2 VAL A 600 10.609 -41.902 -8.579 1.00 14.54 C ATOM 0 H VAL A 600 13.762 -42.529 -9.547 1.00 33.23 H new ATOM 0 HA VAL A 600 12.131 -44.032 -7.576 1.00 11.11 H new ATOM 0 HB VAL A 600 11.220 -42.996 -10.301 1.00 54.55 H new ATOM 0 HG11 VAL A 600 9.016 -43.825 -9.669 1.00 3.33 H new ATOM 0 HG12 VAL A 600 10.224 -45.127 -9.772 1.00 3.33 H new ATOM 0 HG13 VAL A 600 9.706 -44.518 -8.182 1.00 3.33 H new ATOM 0 HG21 VAL A 600 9.692 -41.533 -9.038 1.00 14.54 H new ATOM 0 HG22 VAL A 600 10.439 -42.076 -7.517 1.00 14.54 H new ATOM 0 HG23 VAL A 600 11.400 -41.162 -8.703 1.00 14.54 H new ATOM 1104 N LYS A 601 12.987 -46.107 -8.744 1.00 22.41 N ATOM 1105 CA LYS A 601 13.408 -47.331 -9.430 1.00 22.11 C ATOM 1106 C LYS A 601 12.253 -47.873 -10.270 1.00 24.43 C ATOM 1107 O LYS A 601 11.119 -47.940 -9.802 1.00 51.51 O ATOM 1108 CB LYS A 601 13.872 -48.402 -8.432 1.00 54.12 C ATOM 1109 CG LYS A 601 14.302 -49.687 -9.134 1.00 70.12 C ATOM 1110 CD LYS A 601 14.745 -50.777 -8.192 1.00 44.11 C ATOM 1111 CE LYS A 601 14.684 -52.146 -8.890 1.00 33.41 C ATOM 1112 NZ LYS A 601 13.269 -52.522 -9.276 1.00 25.34 N ATOM 0 H LYS A 601 12.857 -46.207 -7.737 1.00 22.41 H new ATOM 0 HA LYS A 601 14.251 -47.085 -10.076 1.00 22.11 H new ATOM 0 HB2 LYS A 601 14.704 -48.014 -7.844 1.00 54.12 H new ATOM 0 HB3 LYS A 601 13.064 -48.622 -7.734 1.00 54.12 H new ATOM 0 HG2 LYS A 601 13.472 -50.056 -9.737 1.00 70.12 H new ATOM 0 HG3 LYS A 601 15.118 -49.459 -9.820 1.00 70.12 H new ATOM 0 HD2 LYS A 601 15.761 -50.581 -7.851 1.00 44.11 H new ATOM 0 HD3 LYS A 601 14.108 -50.784 -7.308 1.00 44.11 H new ATOM 0 HE2 LYS A 601 15.310 -52.127 -9.782 1.00 33.41 H new ATOM 0 HE3 LYS A 601 15.095 -52.909 -8.229 1.00 33.41 H new ATOM 0 HZ1 LYS A 601 13.219 -53.545 -9.456 1.00 25.34 H new ATOM 0 HZ2 LYS A 601 12.621 -52.275 -8.502 1.00 25.34 H new ATOM 0 HZ3 LYS A 601 12.995 -52.005 -10.136 1.00 25.34 H new ATOM 1126 N ILE A 602 12.562 -48.269 -11.492 1.00 1.04 N ATOM 1127 CA ILE A 602 11.581 -48.838 -12.407 1.00 32.44 C ATOM 1128 C ILE A 602 11.694 -50.363 -12.279 1.00 4.33 C ATOM 1129 O ILE A 602 12.775 -50.889 -11.982 1.00 63.20 O ATOM 1130 CB ILE A 602 11.839 -48.361 -13.884 1.00 30.13 C ATOM 1131 CG1 ILE A 602 12.094 -46.827 -13.923 1.00 44.12 C ATOM 1132 CG2 ILE A 602 10.639 -48.751 -14.799 1.00 53.04 C ATOM 1133 CD1 ILE A 602 10.953 -45.949 -13.405 1.00 61.24 C ATOM 0 H ILE A 602 13.503 -48.206 -11.882 1.00 1.04 H new ATOM 0 HA ILE A 602 10.574 -48.506 -12.156 1.00 32.44 H new ATOM 0 HB ILE A 602 12.730 -48.862 -14.262 1.00 30.13 H new ATOM 0 HG12 ILE A 602 12.988 -46.611 -13.338 1.00 44.12 H new ATOM 0 HG13 ILE A 602 12.310 -46.540 -14.952 1.00 44.12 H new ATOM 0 HG21 ILE A 602 10.833 -48.414 -15.817 1.00 53.04 H new ATOM 0 HG22 ILE A 602 10.514 -49.834 -14.793 1.00 53.04 H new ATOM 0 HG23 ILE A 602 9.730 -48.278 -14.428 1.00 53.04 H new ATOM 0 HD11 ILE A 602 11.239 -44.900 -13.479 1.00 61.24 H new ATOM 0 HD12 ILE A 602 10.059 -46.124 -14.003 1.00 61.24 H new ATOM 0 HD13 ILE A 602 10.747 -46.197 -12.364 1.00 61.24 H new ATOM 1145 N VAL A 603 10.577 -51.054 -12.407 1.00 15.44 N ATOM 1146 CA VAL A 603 10.526 -52.516 -12.293 1.00 40.43 C ATOM 1147 C VAL A 603 10.457 -53.102 -13.714 1.00 53.15 C ATOM 1148 O VAL A 603 9.907 -52.483 -14.614 1.00 42.50 O ATOM 1149 CB VAL A 603 9.313 -52.931 -11.414 1.00 35.32 C ATOM 1150 CG1 VAL A 603 9.223 -54.446 -11.237 1.00 24.10 C ATOM 1151 CG2 VAL A 603 9.432 -52.287 -10.022 1.00 63.24 C ATOM 0 H VAL A 603 9.671 -50.624 -12.594 1.00 15.44 H new ATOM 0 HA VAL A 603 11.416 -52.909 -11.802 1.00 40.43 H new ATOM 0 HB VAL A 603 8.414 -52.587 -11.926 1.00 35.32 H new ATOM 0 HG11 VAL A 603 8.361 -54.689 -10.616 1.00 24.10 H new ATOM 0 HG12 VAL A 603 9.113 -54.920 -12.212 1.00 24.10 H new ATOM 0 HG13 VAL A 603 10.131 -54.811 -10.756 1.00 24.10 H new ATOM 0 HG21 VAL A 603 8.579 -52.582 -9.411 1.00 63.24 H new ATOM 0 HG22 VAL A 603 10.353 -52.621 -9.544 1.00 63.24 H new ATOM 0 HG23 VAL A 603 9.448 -51.202 -10.123 1.00 63.24 H new ATOM 1295 N GLU A 612 3.656 -46.999 -20.833 1.00 31.03 N ATOM 1296 CA GLU A 612 3.194 -46.796 -19.456 1.00 3.53 C ATOM 1297 C GLU A 612 3.371 -45.320 -19.059 1.00 22.42 C ATOM 1298 O GLU A 612 4.123 -44.593 -19.710 1.00 13.35 O ATOM 1299 CB GLU A 612 3.966 -47.735 -18.526 1.00 52.43 C ATOM 1300 CG GLU A 612 3.134 -48.308 -17.393 1.00 11.14 C ATOM 1301 CD GLU A 612 2.017 -49.239 -17.873 1.00 53.22 C ATOM 1302 OE1 GLU A 612 2.283 -50.445 -18.032 1.00 13.22 O ATOM 1303 OE2 GLU A 612 0.851 -48.786 -18.058 1.00 62.04 O ATOM 0 HA GLU A 612 2.133 -47.031 -19.373 1.00 3.53 H new ATOM 0 HB2 GLU A 612 4.374 -48.557 -19.114 1.00 52.43 H new ATOM 0 HB3 GLU A 612 4.813 -47.195 -18.103 1.00 52.43 H new ATOM 0 HG2 GLU A 612 3.787 -48.855 -16.713 1.00 11.14 H new ATOM 0 HG3 GLU A 612 2.695 -47.489 -16.823 1.00 11.14 H new ATOM 1310 N ASN A 613 2.633 -44.865 -18.050 1.00 31.03 N ATOM 1311 CA ASN A 613 2.585 -43.437 -17.681 1.00 35.11 C ATOM 1312 C ASN A 613 2.432 -43.247 -16.173 1.00 71.00 C ATOM 1313 O ASN A 613 1.476 -43.718 -15.554 1.00 62.44 O ATOM 1314 CB ASN A 613 1.381 -42.810 -18.380 1.00 1.13 C ATOM 1315 CG ASN A 613 0.915 -41.534 -17.734 1.00 25.12 C ATOM 1316 OD1 ASN A 613 -0.188 -41.479 -17.219 1.00 13.13 O ATOM 1317 ND2 ASN A 613 1.719 -40.507 -17.780 1.00 11.32 N ATOM 0 H ASN A 613 2.052 -45.464 -17.463 1.00 31.03 H new ATOM 0 HA ASN A 613 3.519 -42.965 -17.986 1.00 35.11 H new ATOM 0 HB2 ASN A 613 1.637 -42.610 -19.420 1.00 1.13 H new ATOM 0 HB3 ASN A 613 0.560 -43.527 -18.387 1.00 1.13 H new ATOM 0 HD21 ASN A 613 1.432 -39.616 -17.375 1.00 11.32 H new ATOM 0 HD22 ASN A 613 2.635 -40.595 -18.221 1.00 11.32 H new ATOM 1324 N PHE A 614 3.356 -42.497 -15.597 1.00 42.30 N ATOM 1325 CA PHE A 614 3.315 -42.180 -14.173 1.00 25.41 C ATOM 1326 C PHE A 614 4.012 -40.848 -13.957 1.00 73.14 C ATOM 1327 O PHE A 614 4.685 -40.349 -14.845 1.00 70.15 O ATOM 1328 CB PHE A 614 3.975 -43.290 -13.336 1.00 42.32 C ATOM 1329 CG PHE A 614 5.466 -43.141 -13.175 1.00 63.13 C ATOM 1330 CD1 PHE A 614 6.358 -43.720 -14.095 1.00 55.22 C ATOM 1331 CD2 PHE A 614 5.988 -42.436 -12.074 1.00 35.15 C ATOM 1332 CE1 PHE A 614 7.760 -43.600 -13.910 1.00 43.01 C ATOM 1333 CE2 PHE A 614 7.375 -42.306 -11.878 1.00 3.20 C ATOM 1334 CZ PHE A 614 8.262 -42.894 -12.790 1.00 0.22 C ATOM 0 H PHE A 614 4.150 -42.093 -16.094 1.00 42.30 H new ATOM 0 HA PHE A 614 2.278 -42.110 -13.845 1.00 25.41 H new ATOM 0 HB2 PHE A 614 3.514 -43.307 -12.348 1.00 42.32 H new ATOM 0 HB3 PHE A 614 3.766 -44.253 -13.802 1.00 42.32 H new ATOM 0 HD1 PHE A 614 5.974 -44.260 -14.948 1.00 55.22 H new ATOM 0 HD2 PHE A 614 5.309 -41.985 -11.365 1.00 35.15 H new ATOM 0 HE1 PHE A 614 8.441 -44.045 -14.620 1.00 43.01 H new ATOM 0 HE2 PHE A 614 7.754 -41.756 -11.029 1.00 3.20 H new ATOM 0 HZ PHE A 614 9.328 -42.809 -12.639 1.00 0.22 H new ATOM 1344 N PHE A 615 3.819 -40.246 -12.798 1.00 41.44 N ATOM 1345 CA PHE A 615 4.392 -38.945 -12.495 1.00 11.22 C ATOM 1346 C PHE A 615 4.783 -38.904 -11.026 1.00 61.33 C ATOM 1347 O PHE A 615 4.442 -39.796 -10.274 1.00 51.03 O ATOM 1348 CB PHE A 615 3.388 -37.823 -12.792 1.00 32.42 C ATOM 1349 CG PHE A 615 1.999 -38.302 -13.155 1.00 42.33 C ATOM 1350 CD1 PHE A 615 1.738 -38.831 -14.427 1.00 72.34 C ATOM 1351 CD2 PHE A 615 0.936 -38.191 -12.241 1.00 4.40 C ATOM 1352 CE1 PHE A 615 0.453 -39.261 -14.790 1.00 53.44 C ATOM 1353 CE2 PHE A 615 -0.370 -38.621 -12.596 1.00 54.33 C ATOM 1354 CZ PHE A 615 -0.605 -39.162 -13.873 1.00 64.43 C ATOM 0 H PHE A 615 3.262 -40.643 -12.041 1.00 41.44 H new ATOM 0 HA PHE A 615 5.271 -38.793 -13.121 1.00 11.22 H new ATOM 0 HB2 PHE A 615 3.318 -37.175 -11.918 1.00 32.42 H new ATOM 0 HB3 PHE A 615 3.774 -37.215 -13.610 1.00 32.42 H new ATOM 0 HD1 PHE A 615 2.543 -38.909 -15.142 1.00 72.34 H new ATOM 0 HD2 PHE A 615 1.114 -37.775 -11.260 1.00 4.40 H new ATOM 0 HE1 PHE A 615 0.278 -39.668 -15.775 1.00 53.44 H new ATOM 0 HE2 PHE A 615 -1.180 -38.533 -11.888 1.00 54.33 H new ATOM 0 HZ PHE A 615 -1.594 -39.499 -14.146 1.00 64.43 H new ATOM 1364 N ILE A 616 5.489 -37.864 -10.602 1.00 12.24 N ATOM 1365 CA ILE A 616 5.880 -37.729 -9.197 1.00 3.31 C ATOM 1366 C ILE A 616 5.477 -36.352 -8.751 1.00 11.15 C ATOM 1367 O ILE A 616 5.912 -35.367 -9.324 1.00 75.52 O ATOM 1368 CB ILE A 616 7.419 -37.851 -9.015 1.00 11.34 C ATOM 1369 CG1 ILE A 616 7.970 -39.072 -9.776 1.00 55.23 C ATOM 1370 CG2 ILE A 616 7.788 -37.948 -7.512 1.00 70.20 C ATOM 1371 CD1 ILE A 616 9.430 -38.984 -10.039 1.00 62.50 C ATOM 0 H ILE A 616 5.803 -37.103 -11.204 1.00 12.24 H new ATOM 0 HA ILE A 616 5.399 -38.518 -8.620 1.00 3.31 H new ATOM 0 HB ILE A 616 7.875 -36.952 -9.430 1.00 11.34 H new ATOM 0 HG12 ILE A 616 7.764 -39.975 -9.201 1.00 55.23 H new ATOM 0 HG13 ILE A 616 7.441 -39.171 -10.724 1.00 55.23 H new ATOM 0 HG21 ILE A 616 8.870 -38.033 -7.408 1.00 70.20 H new ATOM 0 HG22 ILE A 616 7.442 -37.053 -6.994 1.00 70.20 H new ATOM 0 HG23 ILE A 616 7.312 -38.826 -7.076 1.00 70.20 H new ATOM 0 HD11 ILE A 616 9.757 -39.873 -10.578 1.00 62.50 H new ATOM 0 HD12 ILE A 616 9.639 -38.099 -10.640 1.00 62.50 H new ATOM 0 HD13 ILE A 616 9.967 -38.915 -9.093 1.00 62.50 H new ATOM 1383 N ALA A 617 4.626 -36.278 -7.748 1.00 14.33 N ATOM 1384 CA ALA A 617 4.150 -34.997 -7.247 1.00 54.43 C ATOM 1385 C ALA A 617 4.787 -34.753 -5.890 1.00 44.24 C ATOM 1386 O ALA A 617 5.099 -35.691 -5.150 1.00 33.33 O ATOM 1387 CB ALA A 617 2.614 -35.003 -7.136 1.00 42.44 C ATOM 0 H ALA A 617 4.247 -37.090 -7.260 1.00 14.33 H new ATOM 0 HA ALA A 617 4.427 -34.197 -7.934 1.00 54.43 H new ATOM 0 HB1 ALA A 617 2.273 -34.039 -6.760 1.00 42.44 H new ATOM 0 HB2 ALA A 617 2.179 -35.184 -8.119 1.00 42.44 H new ATOM 0 HB3 ALA A 617 2.302 -35.791 -6.450 1.00 42.44 H new ATOM 1393 N LEU A 618 4.969 -33.487 -5.572 1.00 51.50 N ATOM 1394 CA LEU A 618 5.529 -33.084 -4.296 1.00 71.20 C ATOM 1395 C LEU A 618 4.406 -32.953 -3.291 1.00 2.03 C ATOM 1396 O LEU A 618 3.281 -32.623 -3.646 1.00 63.14 O ATOM 1397 CB LEU A 618 6.265 -31.758 -4.465 1.00 2.45 C ATOM 1398 CG LEU A 618 7.452 -31.837 -5.437 1.00 62.41 C ATOM 1399 CD1 LEU A 618 7.949 -30.449 -5.761 1.00 64.00 C ATOM 1400 CD2 LEU A 618 8.568 -32.694 -4.853 1.00 50.24 C ATOM 0 H LEU A 618 4.734 -32.709 -6.189 1.00 51.50 H new ATOM 0 HA LEU A 618 6.239 -33.829 -3.938 1.00 71.20 H new ATOM 0 HB2 LEU A 618 5.563 -31.004 -4.822 1.00 2.45 H new ATOM 0 HB3 LEU A 618 6.624 -31.424 -3.492 1.00 2.45 H new ATOM 0 HG LEU A 618 7.118 -32.308 -6.362 1.00 62.41 H new ATOM 0 HD11 LEU A 618 8.790 -30.516 -6.451 1.00 64.00 H new ATOM 0 HD12 LEU A 618 7.146 -29.874 -6.222 1.00 64.00 H new ATOM 0 HD13 LEU A 618 8.270 -29.954 -4.844 1.00 64.00 H new ATOM 0 HD21 LEU A 618 9.399 -32.738 -5.557 1.00 50.24 H new ATOM 0 HD22 LEU A 618 8.909 -32.257 -3.915 1.00 50.24 H new ATOM 0 HD23 LEU A 618 8.195 -33.702 -4.670 1.00 50.24 H new ATOM 1412 N GLY A 619 4.726 -33.239 -2.040 1.00 35.12 N ATOM 1413 CA GLY A 619 3.746 -33.168 -0.973 1.00 62.24 C ATOM 1414 C GLY A 619 3.515 -31.732 -0.544 1.00 65.32 C ATOM 1415 O GLY A 619 2.644 -31.033 -1.037 1.00 13.32 O ATOM 0 H GLY A 619 5.659 -33.523 -1.740 1.00 35.12 H new ATOM 0 HA2 GLY A 619 2.806 -33.607 -1.307 1.00 62.24 H new ATOM 0 HA3 GLY A 619 4.087 -33.756 -0.121 1.00 62.24 H new ATOM 1419 N GLU A 620 4.357 -31.291 0.376 1.00 12.13 N ATOM 1420 CA GLU A 620 4.325 -29.944 0.920 1.00 73.43 C ATOM 1421 C GLU A 620 5.697 -29.535 1.388 1.00 44.41 C ATOM 1422 O GLU A 620 6.245 -30.142 2.308 1.00 61.34 O ATOM 1423 CB GLU A 620 3.449 -29.887 2.153 1.00 74.31 C ATOM 1424 CG GLU A 620 2.055 -29.555 1.860 1.00 53.11 C ATOM 1425 CD GLU A 620 1.524 -28.530 2.853 1.00 44.34 C ATOM 1426 OE1 GLU A 620 1.891 -27.333 2.718 1.00 34.12 O ATOM 1427 OE2 GLU A 620 0.853 -28.922 3.826 1.00 44.42 O ATOM 0 H GLU A 620 5.096 -31.871 0.773 1.00 12.13 H new ATOM 0 HA GLU A 620 3.952 -29.293 0.129 1.00 73.43 H new ATOM 0 HB2 GLU A 620 3.486 -30.851 2.661 1.00 74.31 H new ATOM 0 HB3 GLU A 620 3.854 -29.147 2.843 1.00 74.31 H new ATOM 0 HG2 GLU A 620 1.975 -29.162 0.847 1.00 53.11 H new ATOM 0 HG3 GLU A 620 1.445 -30.457 1.901 1.00 53.11 H new ATOM 1434 N PRO A 621 6.264 -28.483 0.804 1.00 34.32 N ATOM 1435 CA PRO A 621 7.542 -28.047 1.354 1.00 31.23 C ATOM 1436 C PRO A 621 7.339 -27.435 2.753 1.00 40.44 C ATOM 1437 O PRO A 621 6.384 -26.683 2.997 1.00 62.43 O ATOM 1438 CB PRO A 621 8.019 -27.041 0.309 1.00 62.42 C ATOM 1439 CG PRO A 621 6.758 -26.485 -0.264 1.00 74.32 C ATOM 1440 CD PRO A 621 5.825 -27.633 -0.316 1.00 30.42 C ATOM 0 HA PRO A 621 8.272 -28.841 1.515 1.00 31.23 H new ATOM 0 HB2 PRO A 621 8.631 -26.259 0.759 1.00 62.42 H new ATOM 0 HB3 PRO A 621 8.627 -27.521 -0.458 1.00 62.42 H new ATOM 0 HG2 PRO A 621 6.362 -25.682 0.358 1.00 74.32 H new ATOM 0 HG3 PRO A 621 6.926 -26.067 -1.257 1.00 74.32 H new ATOM 0 HD2 PRO A 621 4.789 -27.314 -0.196 1.00 30.42 H new ATOM 0 HD3 PRO A 621 5.889 -28.159 -1.268 1.00 30.42 H new ATOM 1448 N LYS A 622 8.205 -27.805 3.687 1.00 61.30 N ATOM 1449 CA LYS A 622 8.093 -27.369 5.086 1.00 42.14 C ATOM 1450 C LYS A 622 9.424 -26.787 5.511 1.00 13.00 C ATOM 1451 O LYS A 622 10.454 -27.346 5.219 1.00 25.50 O ATOM 1452 CB LYS A 622 7.754 -28.568 5.979 1.00 50.11 C ATOM 1453 CG LYS A 622 6.391 -29.207 5.676 1.00 72.03 C ATOM 1454 CD LYS A 622 6.213 -30.568 6.353 1.00 52.14 C ATOM 1455 CE LYS A 622 7.066 -31.641 5.670 1.00 62.11 C ATOM 1456 NZ LYS A 622 6.829 -33.012 6.225 1.00 21.45 N ATOM 0 H LYS A 622 9.004 -28.413 3.505 1.00 61.30 H new ATOM 0 HA LYS A 622 7.304 -26.623 5.181 1.00 42.14 H new ATOM 0 HB2 LYS A 622 8.531 -29.324 5.866 1.00 50.11 H new ATOM 0 HB3 LYS A 622 7.770 -28.248 7.021 1.00 50.11 H new ATOM 0 HG2 LYS A 622 5.598 -28.535 6.006 1.00 72.03 H new ATOM 0 HG3 LYS A 622 6.281 -29.325 4.598 1.00 72.03 H new ATOM 0 HD2 LYS A 622 6.491 -30.493 7.404 1.00 52.14 H new ATOM 0 HD3 LYS A 622 5.163 -30.859 6.321 1.00 52.14 H new ATOM 0 HE2 LYS A 622 6.850 -31.644 4.602 1.00 62.11 H new ATOM 0 HE3 LYS A 622 8.120 -31.386 5.782 1.00 62.11 H new ATOM 0 HZ1 LYS A 622 7.513 -33.677 5.812 1.00 21.45 H new ATOM 0 HZ2 LYS A 622 6.945 -32.993 7.258 1.00 21.45 H new ATOM 0 HZ3 LYS A 622 5.863 -33.319 5.991 1.00 21.45 H new ATOM 1470 N TRP A 623 9.410 -25.685 6.233 1.00 52.31 N ATOM 1471 CA TRP A 623 10.647 -24.996 6.598 1.00 15.13 C ATOM 1472 C TRP A 623 11.212 -25.653 7.816 1.00 64.32 C ATOM 1473 O TRP A 623 10.689 -25.480 8.915 1.00 13.43 O ATOM 1474 CB TRP A 623 10.311 -23.558 6.943 1.00 63.15 C ATOM 1475 CG TRP A 623 11.388 -22.593 6.700 1.00 14.40 C ATOM 1476 CD1 TRP A 623 12.601 -22.780 6.123 1.00 2.23 C ATOM 1477 CD2 TRP A 623 11.348 -21.223 7.059 1.00 75.30 C ATOM 1478 NE1 TRP A 623 13.300 -21.612 6.047 1.00 73.21 N ATOM 1479 CE2 TRP A 623 12.553 -20.622 6.602 1.00 71.54 C ATOM 1480 CE3 TRP A 623 10.429 -20.450 7.769 1.00 34.10 C ATOM 1481 CZ2 TRP A 623 12.829 -19.259 6.787 1.00 73.15 C ATOM 1482 CZ3 TRP A 623 10.695 -19.132 8.001 1.00 41.53 C ATOM 1483 CH2 TRP A 623 11.891 -18.503 7.475 1.00 73.30 C ATOM 0 H TRP A 623 8.560 -25.242 6.582 1.00 52.31 H new ATOM 0 HA TRP A 623 11.362 -25.035 5.776 1.00 15.13 H new ATOM 0 HB2 TRP A 623 9.437 -23.257 6.366 1.00 63.15 H new ATOM 0 HB3 TRP A 623 10.031 -23.509 7.995 1.00 63.15 H new ATOM 0 HD1 TRP A 623 12.967 -23.733 5.769 1.00 2.23 H new ATOM 0 HE1 TRP A 623 14.229 -21.500 5.641 1.00 73.21 H new ATOM 0 HE3 TRP A 623 9.513 -20.892 8.133 1.00 34.10 H new ATOM 0 HZ2 TRP A 623 13.738 -18.815 6.408 1.00 73.15 H new ATOM 0 HZ3 TRP A 623 10.002 -18.547 8.587 1.00 41.53 H new ATOM 0 HH2 TRP A 623 12.052 -17.445 7.619 1.00 73.30 H new ATOM 1494 N MET A 624 12.320 -26.363 7.661 1.00 64.02 N ATOM 1495 CA MET A 624 13.017 -26.701 8.852 1.00 22.43 C ATOM 1496 C MET A 624 14.455 -26.237 8.854 1.00 14.24 C ATOM 1497 O MET A 624 15.424 -26.976 8.978 1.00 73.51 O ATOM 1498 CB MET A 624 13.238 -28.159 8.659 1.00 24.20 C ATOM 1499 CG MET A 624 12.051 -29.048 8.335 1.00 54.11 C ATOM 1500 SD MET A 624 10.953 -29.350 9.696 1.00 13.52 S ATOM 1501 CE MET A 624 10.125 -30.769 9.028 1.00 51.33 C ATOM 0 H MET A 624 12.720 -26.689 6.781 1.00 64.02 H new ATOM 0 HA MET A 624 12.474 -26.313 9.714 1.00 22.43 H new ATOM 0 HB2 MET A 624 13.966 -28.278 7.857 1.00 24.20 H new ATOM 0 HB3 MET A 624 13.699 -28.545 9.568 1.00 24.20 H new ATOM 0 HG2 MET A 624 11.484 -28.592 7.524 1.00 54.11 H new ATOM 0 HG3 MET A 624 12.421 -30.005 7.966 1.00 54.11 H new ATOM 0 HE1 MET A 624 9.379 -31.124 9.740 1.00 51.33 H new ATOM 0 HE2 MET A 624 9.634 -30.497 8.093 1.00 51.33 H new ATOM 0 HE3 MET A 624 10.852 -31.559 8.840 1.00 51.33 H new ATOM 1511 N GLU A 625 14.492 -24.992 9.162 1.00 54.42 N ATOM 1512 CA GLU A 625 15.503 -24.308 9.896 1.00 23.44 C ATOM 1513 C GLU A 625 14.732 -23.180 10.489 1.00 13.14 C ATOM 1514 O GLU A 625 15.041 -22.169 10.029 1.00 71.35 O ATOM 1515 CB GLU A 625 16.396 -23.782 8.773 1.00 31.54 C ATOM 1516 CG GLU A 625 17.580 -22.886 9.086 1.00 41.32 C ATOM 1517 CD GLU A 625 18.839 -23.315 8.325 1.00 44.40 C ATOM 1518 OE1 GLU A 625 19.249 -24.492 8.438 1.00 22.34 O ATOM 1519 OE2 GLU A 625 19.353 -22.505 7.531 1.00 34.41 O ATOM 0 H GLU A 625 13.742 -24.361 8.880 1.00 54.42 H new ATOM 0 HA GLU A 625 16.071 -24.856 10.648 1.00 23.44 H new ATOM 0 HB2 GLU A 625 16.782 -24.649 8.236 1.00 31.54 H new ATOM 0 HB3 GLU A 625 15.755 -23.237 8.080 1.00 31.54 H new ATOM 0 HG2 GLU A 625 17.334 -21.856 8.828 1.00 41.32 H new ATOM 0 HG3 GLU A 625 17.778 -22.908 10.158 1.00 41.32 H new ATOM 1526 N ARG A 626 14.083 -23.172 11.645 1.00 75.34 N ATOM 1527 CA ARG A 626 13.358 -21.932 12.142 1.00 72.44 C ATOM 1528 C ARG A 626 12.439 -22.353 13.265 1.00 62.25 C ATOM 1529 O ARG A 626 12.455 -21.768 14.331 1.00 3.53 O ATOM 1530 CB ARG A 626 12.429 -21.096 11.105 1.00 4.45 C ATOM 1531 CG ARG A 626 13.077 -20.367 9.946 1.00 42.50 C ATOM 1532 CD ARG A 626 14.196 -19.364 10.352 1.00 1.24 C ATOM 1533 NE ARG A 626 13.734 -18.351 11.329 1.00 74.30 N ATOM 1534 CZ ARG A 626 14.199 -18.203 12.568 1.00 71.32 C ATOM 1535 NH1 ARG A 626 15.151 -18.959 13.060 1.00 22.54 N ATOM 1536 NH2 ARG A 626 13.701 -17.274 13.325 1.00 75.55 N ATOM 0 H ARG A 626 14.023 -23.975 12.271 1.00 75.34 H new ATOM 0 HA ARG A 626 14.175 -21.258 12.400 1.00 72.44 H new ATOM 0 HB2 ARG A 626 11.699 -21.790 10.688 1.00 4.45 H new ATOM 0 HB3 ARG A 626 11.873 -20.359 11.685 1.00 4.45 H new ATOM 0 HG2 ARG A 626 13.499 -21.103 9.262 1.00 42.50 H new ATOM 0 HG3 ARG A 626 12.305 -19.827 9.397 1.00 42.50 H new ATOM 0 HD2 ARG A 626 15.035 -19.915 10.777 1.00 1.24 H new ATOM 0 HD3 ARG A 626 14.566 -18.859 9.460 1.00 1.24 H new ATOM 0 HE ARG A 626 12.998 -17.713 11.027 1.00 74.30 H new ATOM 0 HH11 ARG A 626 15.565 -19.695 12.488 1.00 22.54 H new ATOM 0 HH12 ARG A 626 15.478 -18.811 14.015 1.00 22.54 H new ATOM 0 HH21 ARG A 626 12.962 -16.668 12.969 1.00 75.55 H new ATOM 0 HH22 ARG A 626 14.048 -17.150 14.276 1.00 75.55 H new ATOM 1916 N GLY A 650 7.345 -17.864 7.031 1.00 22.31 N ATOM 1917 CA GLY A 650 8.219 -18.191 5.913 1.00 44.53 C ATOM 1918 C GLY A 650 7.808 -19.342 5.026 1.00 62.45 C ATOM 1919 O GLY A 650 8.653 -19.883 4.319 1.00 14.23 O ATOM 0 HA2 GLY A 650 8.316 -17.302 5.289 1.00 44.53 H new ATOM 0 HA3 GLY A 650 9.210 -18.410 6.312 1.00 44.53 H new ATOM 1923 N LYS A 651 6.562 -19.777 5.102 1.00 20.31 N ATOM 1924 CA LYS A 651 6.142 -21.017 4.493 1.00 25.40 C ATOM 1925 C LYS A 651 6.365 -21.105 2.983 1.00 30.53 C ATOM 1926 O LYS A 651 5.790 -20.337 2.213 1.00 30.21 O ATOM 1927 CB LYS A 651 4.661 -21.162 4.780 1.00 42.43 C ATOM 1928 CG LYS A 651 4.345 -22.223 5.805 1.00 72.41 C ATOM 1929 CD LYS A 651 4.470 -23.681 5.263 1.00 70.25 C ATOM 1930 CE LYS A 651 3.610 -23.928 4.016 1.00 54.41 C ATOM 1931 NZ LYS A 651 3.708 -25.347 3.506 1.00 53.42 N ATOM 0 H LYS A 651 5.817 -19.278 5.588 1.00 20.31 H new ATOM 0 HA LYS A 651 6.752 -21.814 4.918 1.00 25.40 H new ATOM 0 HB2 LYS A 651 4.272 -20.205 5.128 1.00 42.43 H new ATOM 0 HB3 LYS A 651 4.141 -21.399 3.852 1.00 42.43 H new ATOM 0 HG2 LYS A 651 5.015 -22.103 6.656 1.00 72.41 H new ATOM 0 HG3 LYS A 651 3.331 -22.068 6.173 1.00 72.41 H new ATOM 0 HD2 LYS A 651 5.514 -23.887 5.026 1.00 70.25 H new ATOM 0 HD3 LYS A 651 4.177 -24.381 6.045 1.00 70.25 H new ATOM 0 HE2 LYS A 651 2.569 -23.702 4.248 1.00 54.41 H new ATOM 0 HE3 LYS A 651 3.917 -23.242 3.227 1.00 54.41 H new ATOM 0 HZ1 LYS A 651 4.241 -25.359 2.613 1.00 53.42 H new ATOM 0 HZ2 LYS A 651 4.198 -25.936 4.209 1.00 53.42 H new ATOM 0 HZ3 LYS A 651 2.753 -25.724 3.344 1.00 53.42 H new ATOM 1945 N PRO A 652 7.185 -22.077 2.541 1.00 75.33 N ATOM 1946 CA PRO A 652 7.362 -22.252 1.100 1.00 34.52 C ATOM 1947 C PRO A 652 6.138 -22.853 0.449 1.00 40.23 C ATOM 1948 O PRO A 652 5.280 -23.442 1.115 1.00 1.31 O ATOM 1949 CB PRO A 652 8.519 -23.237 1.014 1.00 75.34 C ATOM 1950 CG PRO A 652 8.436 -24.001 2.261 1.00 12.14 C ATOM 1951 CD PRO A 652 7.973 -23.066 3.302 1.00 24.11 C ATOM 0 HA PRO A 652 7.537 -21.305 0.590 1.00 34.52 H new ATOM 0 HB2 PRO A 652 8.426 -23.886 0.143 1.00 75.34 H new ATOM 0 HB3 PRO A 652 9.475 -22.721 0.926 1.00 75.34 H new ATOM 0 HG2 PRO A 652 7.745 -24.837 2.157 1.00 12.14 H new ATOM 0 HG3 PRO A 652 9.407 -24.421 2.523 1.00 12.14 H new ATOM 0 HD2 PRO A 652 7.367 -23.570 4.055 1.00 24.11 H new ATOM 0 HD3 PRO A 652 8.808 -22.599 3.824 1.00 24.11 H new ATOM 1959 N VAL A 653 6.090 -22.730 -0.864 1.00 4.01 N ATOM 1960 CA VAL A 653 4.989 -23.269 -1.665 1.00 74.22 C ATOM 1961 C VAL A 653 5.517 -23.959 -2.925 1.00 14.22 C ATOM 1962 O VAL A 653 6.676 -23.784 -3.307 1.00 5.01 O ATOM 1963 CB VAL A 653 3.981 -22.143 -2.085 1.00 12.41 C ATOM 1964 CG1 VAL A 653 3.300 -21.534 -0.846 1.00 32.11 C ATOM 1965 CG2 VAL A 653 4.682 -21.035 -2.884 1.00 1.02 C ATOM 0 H VAL A 653 6.808 -22.256 -1.412 1.00 4.01 H new ATOM 0 HA VAL A 653 4.469 -23.996 -1.042 1.00 74.22 H new ATOM 0 HB VAL A 653 3.225 -22.603 -2.721 1.00 12.41 H new ATOM 0 HG11 VAL A 653 2.605 -20.755 -1.159 1.00 32.11 H new ATOM 0 HG12 VAL A 653 2.756 -22.312 -0.310 1.00 32.11 H new ATOM 0 HG13 VAL A 653 4.056 -21.103 -0.190 1.00 32.11 H new ATOM 0 HG21 VAL A 653 3.956 -20.270 -3.160 1.00 1.02 H new ATOM 0 HG22 VAL A 653 5.467 -20.587 -2.274 1.00 1.02 H new ATOM 0 HG23 VAL A 653 5.122 -21.460 -3.786 1.00 1.02 H new ATOM 1975 N LEU A 654 4.663 -24.749 -3.556 1.00 53.52 N ATOM 1976 CA LEU A 654 4.980 -25.406 -4.813 1.00 71.34 C ATOM 1977 C LEU A 654 4.961 -24.416 -5.973 1.00 12.23 C ATOM 1978 O LEU A 654 4.406 -23.327 -5.861 1.00 40.32 O ATOM 1979 CB LEU A 654 3.951 -26.515 -5.046 1.00 20.33 C ATOM 1980 CG LEU A 654 3.906 -27.529 -3.891 1.00 12.42 C ATOM 1981 CD1 LEU A 654 2.830 -28.550 -4.085 1.00 35.43 C ATOM 1982 CD2 LEU A 654 5.252 -28.196 -3.749 1.00 40.43 C ATOM 0 H LEU A 654 3.726 -24.953 -3.209 1.00 53.52 H new ATOM 0 HA LEU A 654 5.985 -25.825 -4.760 1.00 71.34 H new ATOM 0 HB2 LEU A 654 2.964 -26.070 -5.173 1.00 20.33 H new ATOM 0 HB3 LEU A 654 4.187 -27.036 -5.974 1.00 20.33 H new ATOM 0 HG LEU A 654 3.671 -26.987 -2.975 1.00 12.42 H new ATOM 0 HD11 LEU A 654 2.834 -29.246 -3.246 1.00 35.43 H new ATOM 0 HD12 LEU A 654 1.862 -28.052 -4.139 1.00 35.43 H new ATOM 0 HD13 LEU A 654 3.009 -29.096 -5.011 1.00 35.43 H new ATOM 0 HD21 LEU A 654 5.218 -28.914 -2.930 1.00 40.43 H new ATOM 0 HD22 LEU A 654 5.501 -28.714 -4.675 1.00 40.43 H new ATOM 0 HD23 LEU A 654 6.011 -27.442 -3.539 1.00 40.43 H new ATOM 1994 N GLY A 655 5.608 -24.800 -7.060 1.00 53.13 N ATOM 1995 CA GLY A 655 5.754 -23.936 -8.221 1.00 0.52 C ATOM 1996 C GLY A 655 4.813 -24.204 -9.364 1.00 64.44 C ATOM 1997 O GLY A 655 3.714 -24.714 -9.205 1.00 14.01 O ATOM 0 H GLY A 655 6.046 -25.715 -7.164 1.00 53.13 H new ATOM 0 HA2 GLY A 655 5.619 -22.903 -7.900 1.00 0.52 H new ATOM 0 HA3 GLY A 655 6.776 -24.025 -8.589 1.00 0.52 H new ATOM 2001 N GLU A 656 5.287 -23.839 -10.542 1.00 62.02 N ATOM 2002 CA GLU A 656 4.531 -23.945 -11.778 1.00 41.41 C ATOM 2003 C GLU A 656 4.578 -25.366 -12.341 1.00 33.52 C ATOM 2004 O GLU A 656 3.638 -25.819 -12.981 1.00 10.32 O ATOM 2005 CB GLU A 656 5.113 -22.970 -12.809 1.00 15.01 C ATOM 2006 CG GLU A 656 5.345 -21.543 -12.274 1.00 53.32 C ATOM 2007 CD GLU A 656 6.649 -21.395 -11.459 1.00 40.53 C ATOM 2008 OE1 GLU A 656 7.467 -22.352 -11.433 1.00 13.51 O ATOM 2009 OE2 GLU A 656 6.815 -20.360 -10.787 1.00 74.53 O ATOM 0 H GLU A 656 6.223 -23.454 -10.669 1.00 62.02 H new ATOM 0 HA GLU A 656 3.491 -23.698 -11.566 1.00 41.41 H new ATOM 0 HB2 GLU A 656 6.061 -23.367 -13.173 1.00 15.01 H new ATOM 0 HB3 GLU A 656 4.439 -22.919 -13.664 1.00 15.01 H new ATOM 0 HG2 GLU A 656 5.370 -20.848 -13.114 1.00 53.32 H new ATOM 0 HG3 GLU A 656 4.500 -21.256 -11.648 1.00 53.32 H new ATOM 2016 N HIS A 657 5.679 -26.073 -12.086 1.00 14.23 N ATOM 2017 CA HIS A 657 5.836 -27.464 -12.547 1.00 42.53 C ATOM 2018 C HIS A 657 6.325 -28.401 -11.431 1.00 1.03 C ATOM 2019 O HIS A 657 7.380 -28.993 -11.548 1.00 11.41 O ATOM 2020 CB HIS A 657 6.848 -27.525 -13.712 1.00 63.45 C ATOM 2021 CG HIS A 657 6.624 -26.489 -14.769 1.00 51.04 C ATOM 2022 ND1 HIS A 657 5.989 -26.742 -15.992 1.00 23.14 N ATOM 2023 CD2 HIS A 657 6.961 -25.173 -14.826 1.00 20.23 C ATOM 2024 CE1 HIS A 657 5.965 -25.624 -16.699 1.00 45.35 C ATOM 2025 NE2 HIS A 657 6.539 -24.668 -16.016 1.00 43.21 N ATOM 0 H HIS A 657 6.477 -25.712 -11.564 1.00 14.23 H new ATOM 0 HA HIS A 657 4.850 -27.799 -12.870 1.00 42.53 H new ATOM 0 HB2 HIS A 657 7.855 -27.408 -13.311 1.00 63.45 H new ATOM 0 HB3 HIS A 657 6.800 -28.513 -14.170 1.00 63.45 H new ATOM 0 HD1 HIS A 657 5.608 -27.640 -16.289 1.00 23.14 H new ATOM 0 HD2 HIS A 657 7.478 -24.621 -14.055 1.00 20.23 H new ATOM 0 HE1 HIS A 657 5.538 -25.518 -17.685 1.00 45.35 H new ATOM 2033 N PRO A 658 5.576 -28.545 -10.323 1.00 41.35 N ATOM 2034 CA PRO A 658 6.011 -29.416 -9.218 1.00 11.44 C ATOM 2035 C PRO A 658 5.797 -30.919 -9.474 1.00 30.41 C ATOM 2036 O PRO A 658 5.608 -31.702 -8.540 1.00 52.41 O ATOM 2037 CB PRO A 658 5.131 -28.930 -8.068 1.00 50.03 C ATOM 2038 CG PRO A 658 3.872 -28.558 -8.737 1.00 51.45 C ATOM 2039 CD PRO A 658 4.300 -27.884 -9.998 1.00 55.23 C ATOM 0 HA PRO A 658 7.085 -29.345 -9.044 1.00 11.44 H new ATOM 0 HB2 PRO A 658 4.975 -29.711 -7.323 1.00 50.03 H new ATOM 0 HB3 PRO A 658 5.578 -28.081 -7.551 1.00 50.03 H new ATOM 0 HG2 PRO A 658 3.259 -29.435 -8.945 1.00 51.45 H new ATOM 0 HG3 PRO A 658 3.274 -27.892 -8.115 1.00 51.45 H new ATOM 0 HD2 PRO A 658 3.566 -28.015 -10.793 1.00 55.23 H new ATOM 0 HD3 PRO A 658 4.428 -26.811 -9.856 1.00 55.23 H new ATOM 2047 N LYS A 659 5.782 -31.299 -10.744 1.00 41.23 N ATOM 2048 CA LYS A 659 5.549 -32.674 -11.166 1.00 73.45 C ATOM 2049 C LYS A 659 6.179 -32.874 -12.516 1.00 72.32 C ATOM 2050 O LYS A 659 6.219 -31.949 -13.315 1.00 51.12 O ATOM 2051 CB LYS A 659 4.058 -32.933 -11.258 1.00 12.23 C ATOM 2052 CG LYS A 659 3.697 -34.390 -11.566 1.00 61.32 C ATOM 2053 CD LYS A 659 2.346 -34.756 -10.993 1.00 4.31 C ATOM 2054 CE LYS A 659 1.259 -34.118 -11.762 1.00 33.41 C ATOM 2055 NZ LYS A 659 1.118 -34.670 -13.197 1.00 0.34 N ATOM 0 H LYS A 659 5.933 -30.654 -11.520 1.00 41.23 H new ATOM 0 HA LYS A 659 5.985 -33.364 -10.444 1.00 73.45 H new ATOM 0 HB2 LYS A 659 3.591 -32.645 -10.316 1.00 12.23 H new ATOM 0 HB3 LYS A 659 3.635 -32.293 -12.033 1.00 12.23 H new ATOM 0 HG2 LYS A 659 3.690 -34.545 -12.645 1.00 61.32 H new ATOM 0 HG3 LYS A 659 4.460 -35.051 -11.154 1.00 61.32 H new ATOM 0 HD2 LYS A 659 2.221 -35.839 -11.008 1.00 4.31 H new ATOM 0 HD3 LYS A 659 2.292 -34.443 -9.950 1.00 4.31 H new ATOM 0 HE2 LYS A 659 0.317 -34.260 -11.232 1.00 33.41 H new ATOM 0 HE3 LYS A 659 1.439 -33.044 -11.810 1.00 33.41 H new ATOM 0 HZ1 LYS A 659 0.195 -34.392 -13.587 1.00 0.34 H new ATOM 0 HZ2 LYS A 659 1.876 -34.283 -13.794 1.00 0.34 H new ATOM 0 HZ3 LYS A 659 1.188 -35.707 -13.178 1.00 0.34 H new ATOM 2069 N LEU A 660 6.656 -34.083 -12.755 1.00 23.21 N ATOM 2070 CA LEU A 660 7.261 -34.451 -14.017 1.00 12.30 C ATOM 2071 C LEU A 660 6.502 -35.682 -14.483 1.00 64.24 C ATOM 2072 O LEU A 660 6.422 -36.660 -13.742 1.00 22.12 O ATOM 2073 CB LEU A 660 8.753 -34.789 -13.821 1.00 20.22 C ATOM 2074 CG LEU A 660 9.757 -34.460 -14.943 1.00 41.13 C ATOM 2075 CD1 LEU A 660 10.944 -35.420 -14.937 1.00 0.15 C ATOM 2076 CD2 LEU A 660 9.114 -34.446 -16.289 1.00 62.10 C ATOM 0 H LEU A 660 6.633 -34.840 -12.072 1.00 23.21 H new ATOM 0 HA LEU A 660 7.209 -33.639 -14.742 1.00 12.30 H new ATOM 0 HB2 LEU A 660 9.089 -34.275 -12.920 1.00 20.22 H new ATOM 0 HB3 LEU A 660 8.823 -35.859 -13.623 1.00 20.22 H new ATOM 0 HG LEU A 660 10.125 -33.455 -14.737 1.00 41.13 H new ATOM 0 HD11 LEU A 660 11.630 -35.156 -15.742 1.00 0.15 H new ATOM 0 HD12 LEU A 660 11.463 -35.351 -13.981 1.00 0.15 H new ATOM 0 HD13 LEU A 660 10.588 -36.440 -15.084 1.00 0.15 H new ATOM 0 HD21 LEU A 660 9.861 -34.210 -17.047 1.00 62.10 H new ATOM 0 HD22 LEU A 660 8.684 -35.426 -16.497 1.00 62.10 H new ATOM 0 HD23 LEU A 660 8.327 -33.692 -16.308 1.00 62.10 H new ATOM 2088 N GLU A 661 5.902 -35.616 -15.659 1.00 31.02 N ATOM 2089 CA GLU A 661 5.138 -36.728 -16.209 1.00 14.24 C ATOM 2090 C GLU A 661 6.035 -37.607 -17.055 1.00 73.12 C ATOM 2091 O GLU A 661 6.666 -37.128 -17.969 1.00 52.02 O ATOM 2092 CB GLU A 661 4.023 -36.180 -17.076 1.00 34.22 C ATOM 2093 CG GLU A 661 2.953 -37.175 -17.304 1.00 34.54 C ATOM 2094 CD GLU A 661 1.581 -36.650 -16.852 1.00 54.43 C ATOM 2095 OE1 GLU A 661 1.497 -36.019 -15.753 1.00 64.21 O ATOM 2096 OE2 GLU A 661 0.588 -36.889 -17.560 1.00 51.22 O ATOM 0 H GLU A 661 5.929 -34.793 -16.260 1.00 31.02 H new ATOM 0 HA GLU A 661 4.725 -37.319 -15.391 1.00 14.24 H new ATOM 0 HB2 GLU A 661 3.599 -35.295 -16.603 1.00 34.22 H new ATOM 0 HB3 GLU A 661 4.433 -35.863 -18.035 1.00 34.22 H new ATOM 0 HG2 GLU A 661 2.914 -37.431 -18.363 1.00 34.54 H new ATOM 0 HG3 GLU A 661 3.188 -38.092 -16.763 1.00 34.54 H new ATOM 2103 N VAL A 662 6.120 -38.881 -16.721 1.00 0.44 N ATOM 2104 CA VAL A 662 7.058 -39.807 -17.346 1.00 72.10 C ATOM 2105 C VAL A 662 6.280 -40.834 -18.117 1.00 53.13 C ATOM 2106 O VAL A 662 5.270 -41.367 -17.655 1.00 23.12 O ATOM 2107 CB VAL A 662 7.929 -40.531 -16.274 1.00 41.10 C ATOM 2108 CG1 VAL A 662 9.195 -41.151 -16.816 1.00 42.23 C ATOM 2109 CG2 VAL A 662 8.108 -39.707 -14.978 1.00 72.12 C ATOM 0 H VAL A 662 5.537 -39.310 -16.003 1.00 0.44 H new ATOM 0 HA VAL A 662 7.718 -39.244 -18.006 1.00 72.10 H new ATOM 0 HB VAL A 662 7.344 -41.398 -15.966 1.00 41.10 H new ATOM 0 HG11 VAL A 662 9.740 -41.633 -16.005 1.00 42.23 H new ATOM 0 HG12 VAL A 662 8.942 -41.892 -17.574 1.00 42.23 H new ATOM 0 HG13 VAL A 662 9.818 -40.375 -17.261 1.00 42.23 H new ATOM 0 HG21 VAL A 662 8.723 -40.266 -14.273 1.00 72.12 H new ATOM 0 HG22 VAL A 662 8.595 -38.760 -15.213 1.00 72.12 H new ATOM 0 HG23 VAL A 662 7.132 -39.513 -14.533 1.00 72.12 H new ATOM 2119 N ILE A 663 6.770 -41.088 -19.309 1.00 0.42 N ATOM 2120 CA ILE A 663 6.218 -42.083 -20.194 1.00 45.41 C ATOM 2121 C ILE A 663 7.318 -43.113 -20.311 1.00 11.33 C ATOM 2122 O ILE A 663 8.479 -42.753 -20.502 1.00 0.03 O ATOM 2123 CB ILE A 663 5.886 -41.461 -21.573 1.00 12.43 C ATOM 2124 CG1 ILE A 663 4.666 -40.521 -21.449 1.00 3.02 C ATOM 2125 CG2 ILE A 663 5.656 -42.552 -22.625 1.00 70.43 C ATOM 2126 CD1 ILE A 663 3.294 -41.245 -21.424 1.00 1.11 C ATOM 0 H ILE A 663 7.578 -40.599 -19.696 1.00 0.42 H new ATOM 0 HA ILE A 663 5.285 -42.510 -19.826 1.00 45.41 H new ATOM 0 HB ILE A 663 6.738 -40.868 -21.907 1.00 12.43 H new ATOM 0 HG12 ILE A 663 4.768 -39.932 -20.537 1.00 3.02 H new ATOM 0 HG13 ILE A 663 4.677 -39.820 -22.284 1.00 3.02 H new ATOM 0 HG21 ILE A 663 5.425 -42.089 -23.584 1.00 70.43 H new ATOM 0 HG22 ILE A 663 6.556 -43.159 -22.723 1.00 70.43 H new ATOM 0 HG23 ILE A 663 4.824 -43.185 -22.317 1.00 70.43 H new ATOM 0 HD11 ILE A 663 2.495 -40.508 -21.335 1.00 1.11 H new ATOM 0 HD12 ILE A 663 3.164 -41.811 -22.346 1.00 1.11 H new ATOM 0 HD13 ILE A 663 3.257 -41.925 -20.573 1.00 1.11 H new ATOM 2138 N ILE A 664 6.976 -44.376 -20.153 1.00 2.23 N ATOM 2139 CA ILE A 664 7.950 -45.448 -20.287 1.00 64.41 C ATOM 2140 C ILE A 664 7.867 -45.920 -21.741 1.00 51.15 C ATOM 2141 O ILE A 664 6.889 -46.549 -22.155 1.00 12.44 O ATOM 2142 CB ILE A 664 7.718 -46.574 -19.242 1.00 64.00 C ATOM 2143 CG1 ILE A 664 7.728 -45.934 -17.828 1.00 30.44 C ATOM 2144 CG2 ILE A 664 8.817 -47.659 -19.373 1.00 70.02 C ATOM 2145 CD1 ILE A 664 7.539 -46.889 -16.649 1.00 31.22 C ATOM 0 H ILE A 664 6.031 -44.688 -19.931 1.00 2.23 H new ATOM 0 HA ILE A 664 8.962 -45.105 -20.073 1.00 64.41 H new ATOM 0 HB ILE A 664 6.757 -47.060 -19.413 1.00 64.00 H new ATOM 0 HG12 ILE A 664 8.675 -45.411 -17.696 1.00 30.44 H new ATOM 0 HG13 ILE A 664 6.941 -45.181 -17.788 1.00 30.44 H new ATOM 0 HG21 ILE A 664 8.644 -48.443 -18.636 1.00 70.02 H new ATOM 0 HG22 ILE A 664 8.786 -48.089 -20.374 1.00 70.02 H new ATOM 0 HG23 ILE A 664 9.795 -47.209 -19.202 1.00 70.02 H new ATOM 0 HD11 ILE A 664 7.564 -46.325 -15.716 1.00 31.22 H new ATOM 0 HD12 ILE A 664 6.578 -47.395 -16.741 1.00 31.22 H new ATOM 0 HD13 ILE A 664 8.340 -47.629 -16.648 1.00 31.22 H new