USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 981 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 647 MET CE :methyl 176:sc= -0.136 (180deg=-0.187) USER MOD Set 1.2: A 648 MET CE :methyl 168:sc= -0.0138 (180deg=-0.343) USER MOD Set 2.1: A 593 THR OG1 : rot 180:sc= -0.0298 USER MOD Set 2.2: A 596 ASN : amide:sc= -0.0153 K(o=-0.34,f=-2.3) USER MOD Set 2.3: A 599 MET CE :methyl 162:sc= -0.29 (180deg=-1.67) USER MOD Set 3.1: A 590 SER OG : rot 75:sc= 1.57 USER MOD Set 3.2: A 600 LYS NZ :NH3+ -114:sc= 0.323 (180deg=0) USER MOD Set 4.1: A 535 CYS SG : rot 163:sc= 1.33 USER MOD Set 4.2: A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 537 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 SER OG : rot 88:sc= 1.26 USER MOD Single : A 542 MET CE :methyl 152:sc= -0.403 (180deg=-2.34) USER MOD Single : A 547 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 551 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 554 THR OG1 : rot -130:sc= -0.0401 USER MOD Single : A 556 MET CE :methyl -174:sc= -0.552 (180deg=-0.728) USER MOD Single : A 558 THR OG1 : rot 180:sc= 0 USER MOD Single : A 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 570 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 THR OG1 : rot 180:sc= -0.0356 USER MOD Single : A 579 LYS NZ :NH3+ -168:sc= 1.73 (180deg=1.58) USER MOD Single : A 580 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 581 MET CE :methyl -173:sc= -0.208 (180deg=-0.325) USER MOD Single : A 582 TYR OH : rot 180:sc= 0 USER MOD Single : A 585 GLN : amide:sc= 0.826 K(o=0.83,f=-3.9!) USER MOD Single : A 586 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 594 LYS NZ :NH3+ 156:sc= 2.46 (180deg=1.72) USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 605 SER OG : rot 100:sc= 1.25 USER MOD Single : A 606 TYR OH : rot 180:sc= 0 USER MOD Single : A 611 CYS SG : rot 176:sc= 0.527 USER MOD Single : A 614 THR OG1 : rot 180:sc= 0 USER MOD Single : A 619 THR OG1 : rot 180:sc= 0 USER MOD Single : A 621 SER OG : rot 180:sc= 0 USER MOD Single : A 626 THR OG1 : rot 180:sc= -0.0728 USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 628 CYS SG : rot 17:sc= -0.295 USER MOD Single : A 632 SER OG : rot -179:sc= 0.215 USER MOD Single : A 634 SER OG : rot 180:sc= 0 USER MOD Single : A 637 ASN : amide:sc= 0.234 X(o=0.23,f=0) USER MOD Single : A 639 ASN : amide:sc= 0.0895 K(o=0.09,f=-0.68) USER MOD Single : A 645 TYR OH : rot 180:sc= 0 USER MOD Single : A 654 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N CYS A 535 5.257 12.082 3.715 1.00 1.88 N ATOM 16 CA CYS A 535 5.116 10.624 3.836 1.00 1.69 C ATOM 17 C CYS A 535 6.407 9.784 3.711 1.00 1.26 C ATOM 18 O CYS A 535 6.309 8.556 3.626 1.00 1.15 O ATOM 19 CB CYS A 535 3.965 10.116 2.945 1.00 2.69 C ATOM 20 SG CYS A 535 2.407 10.932 3.397 1.00 3.78 S ATOM 0 HA CYS A 535 4.855 10.456 4.881 1.00 1.69 H new ATOM 0 HB2 CYS A 535 4.194 10.311 1.897 1.00 2.69 H new ATOM 0 HB3 CYS A 535 3.862 9.036 3.053 1.00 2.69 H new ATOM 0 HG CYS A 535 1.543 10.780 2.437 1.00 3.78 H new ATOM 26 N ARG A 536 7.610 10.381 3.761 1.00 1.30 N ATOM 27 CA ARG A 536 8.879 9.626 3.694 1.00 1.22 C ATOM 28 C ARG A 536 9.029 8.643 4.860 1.00 1.18 C ATOM 29 O ARG A 536 9.285 7.465 4.620 1.00 1.19 O ATOM 30 CB ARG A 536 10.078 10.588 3.618 1.00 1.59 C ATOM 31 CG ARG A 536 11.361 9.878 3.149 1.00 1.85 C ATOM 32 CD ARG A 536 12.571 10.810 3.279 1.00 2.10 C ATOM 33 NE ARG A 536 13.711 10.350 2.465 1.00 3.26 N ATOM 34 CZ ARG A 536 14.765 11.074 2.143 1.00 4.05 C ATOM 35 NH1 ARG A 536 15.018 12.232 2.673 1.00 4.04 N ATOM 36 NH2 ARG A 536 15.590 10.645 1.241 1.00 5.63 N ATOM 0 H ARG A 536 7.733 11.390 3.848 1.00 1.30 H new ATOM 0 HA ARG A 536 8.857 9.030 2.782 1.00 1.22 H new ATOM 0 HB2 ARG A 536 9.845 11.404 2.934 1.00 1.59 H new ATOM 0 HB3 ARG A 536 10.248 11.033 4.598 1.00 1.59 H new ATOM 0 HG2 ARG A 536 11.523 8.978 3.742 1.00 1.85 H new ATOM 0 HG3 ARG A 536 11.249 9.560 2.112 1.00 1.85 H new ATOM 0 HD2 ARG A 536 12.288 11.817 2.971 1.00 2.10 H new ATOM 0 HD3 ARG A 536 12.872 10.869 4.325 1.00 2.10 H new ATOM 0 HE ARG A 536 13.682 9.390 2.122 1.00 3.26 H new ATOM 0 HH11 ARG A 536 14.387 12.621 3.373 1.00 4.04 H new ATOM 0 HH12 ARG A 536 15.848 12.753 2.389 1.00 4.04 H new ATOM 0 HH21 ARG A 536 15.423 9.749 0.782 1.00 5.63 H new ATOM 0 HH22 ARG A 536 16.406 11.203 0.990 1.00 5.63 H new ATOM 50 N LYS A 537 8.790 9.082 6.104 1.00 1.26 N ATOM 51 CA LYS A 537 8.831 8.203 7.292 1.00 1.29 C ATOM 52 C LYS A 537 7.688 7.186 7.295 1.00 1.20 C ATOM 53 O LYS A 537 7.851 6.078 7.804 1.00 1.22 O ATOM 54 CB LYS A 537 8.781 9.007 8.600 1.00 1.47 C ATOM 55 CG LYS A 537 9.891 10.055 8.761 1.00 3.00 C ATOM 56 CD LYS A 537 9.953 10.497 10.226 1.00 3.50 C ATOM 57 CE LYS A 537 11.002 11.584 10.468 1.00 5.13 C ATOM 58 NZ LYS A 537 11.124 11.880 11.913 1.00 5.92 N ATOM 0 H LYS A 537 8.563 10.053 6.320 1.00 1.26 H new ATOM 0 HA LYS A 537 9.780 7.670 7.233 1.00 1.29 H new ATOM 0 HB2 LYS A 537 7.816 9.510 8.663 1.00 1.47 H new ATOM 0 HB3 LYS A 537 8.834 8.312 9.438 1.00 1.47 H new ATOM 0 HG2 LYS A 537 10.850 9.638 8.453 1.00 3.00 H new ATOM 0 HG3 LYS A 537 9.695 10.913 8.117 1.00 3.00 H new ATOM 0 HD2 LYS A 537 8.974 10.867 10.532 1.00 3.50 H new ATOM 0 HD3 LYS A 537 10.178 9.634 10.853 1.00 3.50 H new ATOM 0 HE2 LYS A 537 11.966 11.260 10.075 1.00 5.13 H new ATOM 0 HE3 LYS A 537 10.726 12.490 9.928 1.00 5.13 H new ATOM 0 HZ1 LYS A 537 11.841 12.620 12.056 1.00 5.92 H new ATOM 0 HZ2 LYS A 537 10.208 12.210 12.278 1.00 5.92 H new ATOM 0 HZ3 LYS A 537 11.409 11.019 12.421 1.00 5.92 H new ATOM 72 N LEU A 538 6.542 7.549 6.712 1.00 1.21 N ATOM 73 CA LEU A 538 5.337 6.717 6.670 1.00 1.23 C ATOM 74 C LEU A 538 5.527 5.516 5.734 1.00 1.16 C ATOM 75 O LEU A 538 5.261 4.384 6.142 1.00 1.25 O ATOM 76 CB LEU A 538 4.135 7.607 6.297 1.00 1.34 C ATOM 77 CG LEU A 538 2.783 6.878 6.168 1.00 1.12 C ATOM 78 CD1 LEU A 538 2.377 6.126 7.434 1.00 2.05 C ATOM 79 CD2 LEU A 538 1.680 7.892 5.861 1.00 2.16 C ATOM 0 H LEU A 538 6.424 8.449 6.246 1.00 1.21 H new ATOM 0 HA LEU A 538 5.139 6.285 7.651 1.00 1.23 H new ATOM 0 HB2 LEU A 538 4.036 8.388 7.051 1.00 1.34 H new ATOM 0 HB3 LEU A 538 4.352 8.103 5.351 1.00 1.34 H new ATOM 0 HG LEU A 538 2.907 6.152 5.365 1.00 1.12 H new ATOM 0 HD11 LEU A 538 1.417 5.636 7.274 1.00 2.05 H new ATOM 0 HD12 LEU A 538 3.132 5.376 7.670 1.00 2.05 H new ATOM 0 HD13 LEU A 538 2.292 6.829 8.263 1.00 2.05 H new ATOM 0 HD21 LEU A 538 0.725 7.374 5.770 1.00 2.16 H new ATOM 0 HD22 LEU A 538 1.622 8.622 6.668 1.00 2.16 H new ATOM 0 HD23 LEU A 538 1.906 8.403 4.925 1.00 2.16 H new ATOM 91 N VAL A 539 6.062 5.737 4.527 1.00 1.05 N ATOM 92 CA VAL A 539 6.433 4.653 3.600 1.00 1.01 C ATOM 93 C VAL A 539 7.631 3.855 4.134 1.00 1.08 C ATOM 94 O VAL A 539 7.593 2.627 4.160 1.00 1.17 O ATOM 95 CB VAL A 539 6.599 5.186 2.160 1.00 0.89 C ATOM 96 CG1 VAL A 539 8.027 5.610 1.814 1.00 0.96 C ATOM 97 CG2 VAL A 539 6.109 4.139 1.158 1.00 0.90 C ATOM 0 H VAL A 539 6.251 6.671 4.163 1.00 1.05 H new ATOM 0 HA VAL A 539 5.617 3.933 3.543 1.00 1.01 H new ATOM 0 HB VAL A 539 5.992 6.089 2.099 1.00 0.89 H new ATOM 0 HG11 VAL A 539 8.060 5.972 0.786 1.00 0.96 H new ATOM 0 HG12 VAL A 539 8.344 6.405 2.489 1.00 0.96 H new ATOM 0 HG13 VAL A 539 8.696 4.756 1.919 1.00 0.96 H new ATOM 0 HG21 VAL A 539 6.229 4.521 0.144 1.00 0.90 H new ATOM 0 HG22 VAL A 539 6.692 3.225 1.272 1.00 0.90 H new ATOM 0 HG23 VAL A 539 5.057 3.924 1.342 1.00 0.90 H new ATOM 107 N ALA A 540 8.647 4.524 4.692 1.00 1.10 N ATOM 108 CA ALA A 540 9.841 3.873 5.234 1.00 1.23 C ATOM 109 C ALA A 540 9.609 3.063 6.525 1.00 1.41 C ATOM 110 O ALA A 540 10.552 2.440 7.020 1.00 1.56 O ATOM 111 CB ALA A 540 10.917 4.935 5.462 1.00 1.31 C ATOM 0 H ALA A 540 8.662 5.540 4.780 1.00 1.10 H new ATOM 0 HA ALA A 540 10.156 3.137 4.495 1.00 1.23 H new ATOM 0 HB1 ALA A 540 11.813 4.464 5.866 1.00 1.31 H new ATOM 0 HB2 ALA A 540 11.157 5.419 4.515 1.00 1.31 H new ATOM 0 HB3 ALA A 540 10.549 5.680 6.167 1.00 1.31 H new ATOM 117 N SER A 541 8.404 3.077 7.103 1.00 1.48 N ATOM 118 CA SER A 541 8.076 2.371 8.344 1.00 1.70 C ATOM 119 C SER A 541 7.510 0.956 8.105 1.00 1.67 C ATOM 120 O SER A 541 7.335 0.168 9.041 1.00 1.80 O ATOM 121 CB SER A 541 7.094 3.216 9.143 1.00 1.96 C ATOM 122 OG SER A 541 7.719 4.289 9.822 1.00 2.95 O ATOM 0 H SER A 541 7.614 3.590 6.713 1.00 1.48 H new ATOM 0 HA SER A 541 9.001 2.230 8.904 1.00 1.70 H new ATOM 0 HB2 SER A 541 6.332 3.612 8.471 1.00 1.96 H new ATOM 0 HB3 SER A 541 6.582 2.582 9.868 1.00 1.96 H new ATOM 0 HG SER A 541 7.756 5.072 9.233 1.00 2.95 H new ATOM 128 N MET A 542 7.212 0.619 6.846 1.00 1.54 N ATOM 129 CA MET A 542 6.680 -0.664 6.403 1.00 1.53 C ATOM 130 C MET A 542 7.703 -1.812 6.512 1.00 1.41 C ATOM 131 O MET A 542 8.913 -1.585 6.413 1.00 1.43 O ATOM 132 CB MET A 542 6.222 -0.521 4.943 1.00 1.49 C ATOM 133 CG MET A 542 4.731 -0.191 4.826 1.00 1.89 C ATOM 134 SD MET A 542 4.098 -0.124 3.128 1.00 2.64 S ATOM 135 CE MET A 542 4.424 -1.816 2.559 1.00 1.85 C ATOM 0 H MET A 542 7.344 1.271 6.072 1.00 1.54 H new ATOM 0 HA MET A 542 5.848 -0.924 7.058 1.00 1.53 H new ATOM 0 HB2 MET A 542 6.804 0.263 4.458 1.00 1.49 H new ATOM 0 HB3 MET A 542 6.429 -1.448 4.408 1.00 1.49 H new ATOM 0 HG2 MET A 542 4.163 -0.938 5.381 1.00 1.89 H new ATOM 0 HG3 MET A 542 4.547 0.770 5.306 1.00 1.89 H new ATOM 0 HE1 MET A 542 3.699 -2.088 1.792 1.00 1.85 H new ATOM 0 HE2 MET A 542 5.430 -1.873 2.143 1.00 1.85 H new ATOM 0 HE3 MET A 542 4.340 -2.505 3.399 1.00 1.85 H new ATOM 145 N PRO A 543 7.239 -3.074 6.610 1.00 1.41 N ATOM 146 CA PRO A 543 8.110 -4.252 6.680 1.00 1.43 C ATOM 147 C PRO A 543 8.898 -4.478 5.381 1.00 1.33 C ATOM 148 O PRO A 543 10.004 -5.012 5.424 1.00 1.36 O ATOM 149 CB PRO A 543 7.175 -5.419 7.019 1.00 1.67 C ATOM 150 CG PRO A 543 5.818 -4.982 6.466 1.00 1.72 C ATOM 151 CD PRO A 543 5.838 -3.461 6.628 1.00 1.56 C ATOM 0 HA PRO A 543 8.886 -4.134 7.436 1.00 1.43 H new ATOM 0 HB2 PRO A 543 7.513 -6.347 6.558 1.00 1.67 H new ATOM 0 HB3 PRO A 543 7.130 -5.594 8.094 1.00 1.67 H new ATOM 0 HG2 PRO A 543 5.698 -5.273 5.422 1.00 1.72 H new ATOM 0 HG3 PRO A 543 4.995 -5.434 7.020 1.00 1.72 H new ATOM 0 HD2 PRO A 543 5.289 -2.976 5.821 1.00 1.56 H new ATOM 0 HD3 PRO A 543 5.363 -3.162 7.562 1.00 1.56 H new ATOM 159 N LEU A 544 8.386 -3.998 4.240 1.00 1.31 N ATOM 160 CA LEU A 544 9.065 -4.045 2.934 1.00 1.27 C ATOM 161 C LEU A 544 10.180 -2.984 2.789 1.00 1.21 C ATOM 162 O LEU A 544 10.936 -3.004 1.819 1.00 1.29 O ATOM 163 CB LEU A 544 8.046 -3.892 1.784 1.00 1.35 C ATOM 164 CG LEU A 544 6.651 -4.522 1.952 1.00 2.08 C ATOM 165 CD1 LEU A 544 5.852 -4.305 0.666 1.00 1.91 C ATOM 166 CD2 LEU A 544 6.656 -6.012 2.260 1.00 3.39 C ATOM 0 H LEU A 544 7.468 -3.556 4.196 1.00 1.31 H new ATOM 0 HA LEU A 544 9.543 -5.023 2.876 1.00 1.27 H new ATOM 0 HB2 LEU A 544 7.909 -2.826 1.602 1.00 1.35 H new ATOM 0 HB3 LEU A 544 8.495 -4.314 0.885 1.00 1.35 H new ATOM 0 HG LEU A 544 6.205 -4.028 2.815 1.00 2.08 H new ATOM 0 HD11 LEU A 544 4.862 -4.747 0.774 1.00 1.91 H new ATOM 0 HD12 LEU A 544 5.753 -3.236 0.475 1.00 1.91 H new ATOM 0 HD13 LEU A 544 6.371 -4.776 -0.169 1.00 1.91 H new ATOM 0 HD21 LEU A 544 5.630 -6.366 2.361 1.00 3.39 H new ATOM 0 HD22 LEU A 544 7.147 -6.550 1.449 1.00 3.39 H new ATOM 0 HD23 LEU A 544 7.194 -6.189 3.191 1.00 3.39 H new ATOM 178 N PHE A 545 10.273 -2.044 3.738 1.00 1.20 N ATOM 179 CA PHE A 545 11.226 -0.928 3.787 1.00 1.22 C ATOM 180 C PHE A 545 12.217 -1.053 4.967 1.00 1.23 C ATOM 181 O PHE A 545 12.927 -0.104 5.307 1.00 1.32 O ATOM 182 CB PHE A 545 10.453 0.400 3.811 1.00 1.31 C ATOM 183 CG PHE A 545 9.718 0.755 2.527 1.00 1.28 C ATOM 184 CD1 PHE A 545 8.525 0.095 2.172 1.00 2.02 C ATOM 185 CD2 PHE A 545 10.193 1.801 1.715 1.00 2.34 C ATOM 186 CE1 PHE A 545 7.796 0.503 1.043 1.00 1.97 C ATOM 187 CE2 PHE A 545 9.475 2.203 0.576 1.00 2.41 C ATOM 188 CZ PHE A 545 8.268 1.562 0.250 1.00 1.31 C ATOM 0 H PHE A 545 9.646 -2.042 4.542 1.00 1.20 H new ATOM 0 HA PHE A 545 11.842 -0.956 2.888 1.00 1.22 H new ATOM 0 HB2 PHE A 545 9.729 0.364 4.625 1.00 1.31 H new ATOM 0 HB3 PHE A 545 11.153 1.203 4.042 1.00 1.31 H new ATOM 0 HD1 PHE A 545 8.169 -0.730 2.772 1.00 2.02 H new ATOM 0 HD2 PHE A 545 11.117 2.299 1.969 1.00 2.34 H new ATOM 0 HE1 PHE A 545 6.874 0.003 0.785 1.00 1.97 H new ATOM 0 HE2 PHE A 545 9.850 3.002 -0.047 1.00 2.41 H new ATOM 0 HZ PHE A 545 7.702 1.884 -0.612 1.00 1.31 H new ATOM 198 N ALA A 546 12.288 -2.236 5.582 1.00 1.25 N ATOM 199 CA ALA A 546 13.194 -2.600 6.678 1.00 1.44 C ATOM 200 C ALA A 546 14.680 -2.319 6.407 1.00 1.40 C ATOM 201 O ALA A 546 15.466 -2.129 7.337 1.00 1.67 O ATOM 202 CB ALA A 546 13.067 -4.115 6.819 1.00 1.61 C ATOM 0 H ALA A 546 11.681 -3.011 5.314 1.00 1.25 H new ATOM 0 HA ALA A 546 12.914 -2.010 7.551 1.00 1.44 H new ATOM 0 HB1 ALA A 546 13.718 -4.461 7.622 1.00 1.61 H new ATOM 0 HB2 ALA A 546 12.034 -4.373 7.052 1.00 1.61 H new ATOM 0 HB3 ALA A 546 13.359 -4.593 5.884 1.00 1.61 H new ATOM 208 N ASN A 547 15.052 -2.398 5.131 1.00 1.22 N ATOM 209 CA ASN A 547 16.405 -2.382 4.593 1.00 1.24 C ATOM 210 C ASN A 547 16.602 -1.265 3.552 1.00 1.10 C ATOM 211 O ASN A 547 17.654 -1.190 2.916 1.00 1.20 O ATOM 212 CB ASN A 547 16.660 -3.789 4.013 1.00 1.55 C ATOM 213 CG ASN A 547 17.781 -4.491 4.714 1.00 2.18 C ATOM 214 OD1 ASN A 547 18.879 -4.666 4.197 1.00 2.85 O ATOM 215 ND2 ASN A 547 17.530 -4.892 5.928 1.00 2.62 N ATOM 0 H ASN A 547 14.357 -2.481 4.389 1.00 1.22 H new ATOM 0 HA ASN A 547 17.132 -2.157 5.373 1.00 1.24 H new ATOM 0 HB2 ASN A 547 15.751 -4.385 4.096 1.00 1.55 H new ATOM 0 HB3 ASN A 547 16.892 -3.707 2.951 1.00 1.55 H new ATOM 0 HD21 ASN A 547 18.255 -5.363 6.470 1.00 2.62 H new ATOM 0 HD22 ASN A 547 16.609 -4.735 6.337 1.00 2.62 H new ATOM 222 N ALA A 548 15.587 -0.419 3.350 1.00 1.02 N ATOM 223 CA ALA A 548 15.552 0.534 2.233 1.00 0.98 C ATOM 224 C ALA A 548 16.709 1.562 2.231 1.00 0.90 C ATOM 225 O ALA A 548 17.104 2.083 3.280 1.00 0.96 O ATOM 226 CB ALA A 548 14.189 1.239 2.189 1.00 1.10 C ATOM 0 H ALA A 548 14.767 -0.374 3.955 1.00 1.02 H new ATOM 0 HA ALA A 548 15.696 -0.055 1.327 1.00 0.98 H new ATOM 0 HB1 ALA A 548 14.171 1.944 1.358 1.00 1.10 H new ATOM 0 HB2 ALA A 548 13.401 0.499 2.054 1.00 1.10 H new ATOM 0 HB3 ALA A 548 14.027 1.776 3.124 1.00 1.10 H new ATOM 232 N ASP A 549 17.203 1.898 1.034 1.00 0.83 N ATOM 233 CA ASP A 549 18.110 3.028 0.776 1.00 0.80 C ATOM 234 C ASP A 549 17.317 4.345 0.632 1.00 0.80 C ATOM 235 O ASP A 549 16.313 4.364 -0.086 1.00 0.71 O ATOM 236 CB ASP A 549 18.914 2.743 -0.501 1.00 0.81 C ATOM 237 CG ASP A 549 19.901 3.867 -0.824 1.00 0.95 C ATOM 238 OD1 ASP A 549 19.457 4.907 -1.354 1.00 1.80 O ATOM 239 OD2 ASP A 549 21.104 3.742 -0.484 1.00 1.85 O ATOM 0 H ASP A 549 16.976 1.375 0.188 1.00 0.83 H new ATOM 0 HA ASP A 549 18.792 3.141 1.619 1.00 0.80 H new ATOM 0 HB2 ASP A 549 19.458 1.806 -0.384 1.00 0.81 H new ATOM 0 HB3 ASP A 549 18.229 2.611 -1.338 1.00 0.81 H new ATOM 244 N PRO A 550 17.751 5.467 1.243 1.00 0.99 N ATOM 245 CA PRO A 550 16.964 6.702 1.300 1.00 1.15 C ATOM 246 C PRO A 550 16.686 7.347 -0.064 1.00 1.13 C ATOM 247 O PRO A 550 15.825 8.217 -0.151 1.00 1.24 O ATOM 248 CB PRO A 550 17.780 7.655 2.180 1.00 1.43 C ATOM 249 CG PRO A 550 19.215 7.188 1.954 1.00 1.39 C ATOM 250 CD PRO A 550 19.036 5.675 1.898 1.00 1.16 C ATOM 0 HA PRO A 550 15.973 6.479 1.695 1.00 1.15 H new ATOM 0 HB2 PRO A 550 17.643 8.695 1.884 1.00 1.43 H new ATOM 0 HB3 PRO A 550 17.492 7.582 3.229 1.00 1.43 H new ATOM 0 HG2 PRO A 550 19.635 7.586 1.030 1.00 1.39 H new ATOM 0 HG3 PRO A 550 19.878 7.493 2.763 1.00 1.39 H new ATOM 0 HD2 PRO A 550 19.844 5.203 1.339 1.00 1.16 H new ATOM 0 HD3 PRO A 550 19.044 5.240 2.897 1.00 1.16 H new ATOM 258 N ASN A 551 17.392 6.957 -1.125 1.00 1.07 N ATOM 259 CA ASN A 551 17.205 7.498 -2.474 1.00 1.15 C ATOM 260 C ASN A 551 16.216 6.649 -3.281 1.00 1.00 C ATOM 261 O ASN A 551 15.375 7.194 -3.990 1.00 1.09 O ATOM 262 CB ASN A 551 18.567 7.637 -3.172 1.00 1.28 C ATOM 263 CG ASN A 551 19.584 8.435 -2.376 1.00 1.48 C ATOM 264 OD1 ASN A 551 20.686 7.976 -2.119 1.00 2.48 O ATOM 265 ND2 ASN A 551 19.291 9.659 -1.992 1.00 2.37 N ATOM 0 H ASN A 551 18.121 6.246 -1.072 1.00 1.07 H new ATOM 0 HA ASN A 551 16.765 8.492 -2.402 1.00 1.15 H new ATOM 0 HB2 ASN A 551 18.969 6.642 -3.365 1.00 1.28 H new ATOM 0 HB3 ASN A 551 18.421 8.115 -4.141 1.00 1.28 H new ATOM 0 HD21 ASN A 551 19.981 10.214 -1.485 1.00 2.37 H new ATOM 0 HD22 ASN A 551 18.374 10.053 -2.201 1.00 2.37 H new ATOM 272 N PHE A 552 16.252 5.326 -3.098 1.00 0.82 N ATOM 273 CA PHE A 552 15.271 4.381 -3.646 1.00 0.72 C ATOM 274 C PHE A 552 13.858 4.706 -3.148 1.00 0.62 C ATOM 275 O PHE A 552 12.931 4.829 -3.949 1.00 0.66 O ATOM 276 CB PHE A 552 15.686 2.946 -3.268 1.00 0.68 C ATOM 277 CG PHE A 552 14.566 1.922 -3.310 1.00 0.69 C ATOM 278 CD1 PHE A 552 14.024 1.498 -4.538 1.00 1.76 C ATOM 279 CD2 PHE A 552 14.030 1.425 -2.104 1.00 2.12 C ATOM 280 CE1 PHE A 552 12.945 0.595 -4.556 1.00 1.67 C ATOM 281 CE2 PHE A 552 12.961 0.513 -2.123 1.00 2.30 C ATOM 282 CZ PHE A 552 12.418 0.096 -3.350 1.00 0.99 C ATOM 0 H PHE A 552 16.982 4.870 -2.551 1.00 0.82 H new ATOM 0 HA PHE A 552 15.253 4.468 -4.732 1.00 0.72 H new ATOM 0 HB2 PHE A 552 16.478 2.623 -3.943 1.00 0.68 H new ATOM 0 HB3 PHE A 552 16.109 2.959 -2.263 1.00 0.68 H new ATOM 0 HD1 PHE A 552 14.436 1.866 -5.466 1.00 1.76 H new ATOM 0 HD2 PHE A 552 14.444 1.747 -1.160 1.00 2.12 H new ATOM 0 HE1 PHE A 552 12.520 0.284 -5.499 1.00 1.67 H new ATOM 0 HE2 PHE A 552 12.557 0.133 -1.196 1.00 2.30 H new ATOM 0 HZ PHE A 552 11.598 -0.606 -3.368 1.00 0.99 H new ATOM 292 N VAL A 553 13.698 4.918 -1.834 1.00 0.59 N ATOM 293 CA VAL A 553 12.372 5.233 -1.258 1.00 0.64 C ATOM 294 C VAL A 553 11.823 6.562 -1.771 1.00 0.80 C ATOM 295 O VAL A 553 10.625 6.704 -1.990 1.00 0.87 O ATOM 296 CB VAL A 553 12.351 5.215 0.280 1.00 0.83 C ATOM 297 CG1 VAL A 553 13.018 3.945 0.771 1.00 1.26 C ATOM 298 CG2 VAL A 553 13.090 6.336 1.004 1.00 1.57 C ATOM 0 H VAL A 553 14.456 4.879 -1.153 1.00 0.59 H new ATOM 0 HA VAL A 553 11.721 4.429 -1.600 1.00 0.64 H new ATOM 0 HB VAL A 553 11.290 5.318 0.508 1.00 0.83 H new ATOM 0 HG11 VAL A 553 13.007 3.926 1.861 1.00 1.26 H new ATOM 0 HG12 VAL A 553 12.479 3.079 0.387 1.00 1.26 H new ATOM 0 HG13 VAL A 553 14.049 3.916 0.418 1.00 1.26 H new ATOM 0 HG21 VAL A 553 12.993 6.199 2.081 1.00 1.57 H new ATOM 0 HG22 VAL A 553 14.144 6.314 0.729 1.00 1.57 H new ATOM 0 HG23 VAL A 553 12.661 7.297 0.720 1.00 1.57 H new ATOM 308 N THR A 554 12.718 7.520 -2.002 1.00 0.91 N ATOM 309 CA THR A 554 12.408 8.893 -2.416 1.00 1.07 C ATOM 310 C THR A 554 12.130 9.020 -3.906 1.00 1.07 C ATOM 311 O THR A 554 11.175 9.697 -4.286 1.00 1.13 O ATOM 312 CB THR A 554 13.530 9.834 -1.984 1.00 1.20 C ATOM 313 OG1 THR A 554 13.483 9.892 -0.582 1.00 1.21 O ATOM 314 CG2 THR A 554 13.368 11.247 -2.536 1.00 1.54 C ATOM 0 H THR A 554 13.720 7.358 -1.903 1.00 0.91 H new ATOM 0 HA THR A 554 11.484 9.179 -1.914 1.00 1.07 H new ATOM 0 HB THR A 554 14.477 9.454 -2.367 1.00 1.20 H new ATOM 0 HG1 THR A 554 13.489 10.828 -0.293 1.00 1.21 H new ATOM 0 HG21 THR A 554 14.196 11.868 -2.194 1.00 1.54 H new ATOM 0 HG22 THR A 554 13.365 11.214 -3.625 1.00 1.54 H new ATOM 0 HG23 THR A 554 12.427 11.670 -2.183 1.00 1.54 H new ATOM 322 N ALA A 555 12.881 8.322 -4.762 1.00 1.02 N ATOM 323 CA ALA A 555 12.630 8.302 -6.206 1.00 1.09 C ATOM 324 C ALA A 555 11.225 7.751 -6.560 1.00 0.95 C ATOM 325 O ALA A 555 10.711 7.977 -7.662 1.00 1.13 O ATOM 326 CB ALA A 555 13.763 7.514 -6.871 1.00 1.13 C ATOM 0 H ALA A 555 13.679 7.756 -4.474 1.00 1.02 H new ATOM 0 HA ALA A 555 12.625 9.322 -6.590 1.00 1.09 H new ATOM 0 HB1 ALA A 555 13.601 7.483 -7.948 1.00 1.13 H new ATOM 0 HB2 ALA A 555 14.716 8.000 -6.661 1.00 1.13 H new ATOM 0 HB3 ALA A 555 13.779 6.498 -6.477 1.00 1.13 H new ATOM 332 N MET A 556 10.586 7.055 -5.611 1.00 0.70 N ATOM 333 CA MET A 556 9.199 6.580 -5.680 1.00 0.61 C ATOM 334 C MET A 556 8.148 7.686 -5.438 1.00 0.59 C ATOM 335 O MET A 556 7.033 7.595 -5.954 1.00 0.65 O ATOM 336 CB MET A 556 9.061 5.460 -4.638 1.00 0.68 C ATOM 337 CG MET A 556 7.965 4.442 -4.967 1.00 0.63 C ATOM 338 SD MET A 556 7.848 3.033 -3.820 1.00 0.76 S ATOM 339 CE MET A 556 9.586 2.641 -3.443 1.00 0.74 C ATOM 0 H MET A 556 11.042 6.797 -4.736 1.00 0.70 H new ATOM 0 HA MET A 556 8.999 6.224 -6.691 1.00 0.61 H new ATOM 0 HB2 MET A 556 10.014 4.938 -4.550 1.00 0.68 H new ATOM 0 HB3 MET A 556 8.851 5.905 -3.665 1.00 0.68 H new ATOM 0 HG2 MET A 556 7.005 4.958 -4.983 1.00 0.63 H new ATOM 0 HG3 MET A 556 8.137 4.058 -5.973 1.00 0.63 H new ATOM 0 HE1 MET A 556 9.632 1.734 -2.840 1.00 0.74 H new ATOM 0 HE2 MET A 556 10.134 2.487 -4.372 1.00 0.74 H new ATOM 0 HE3 MET A 556 10.034 3.467 -2.891 1.00 0.74 H new ATOM 349 N LEU A 557 8.486 8.742 -4.686 1.00 0.67 N ATOM 350 CA LEU A 557 7.553 9.769 -4.184 1.00 0.78 C ATOM 351 C LEU A 557 7.198 10.848 -5.225 1.00 0.79 C ATOM 352 O LEU A 557 6.196 11.552 -5.081 1.00 0.86 O ATOM 353 CB LEU A 557 8.145 10.429 -2.915 1.00 1.00 C ATOM 354 CG LEU A 557 8.582 9.457 -1.801 1.00 0.94 C ATOM 355 CD1 LEU A 557 9.113 10.198 -0.576 1.00 1.16 C ATOM 356 CD2 LEU A 557 7.453 8.539 -1.338 1.00 0.96 C ATOM 0 H LEU A 557 9.449 8.914 -4.398 1.00 0.67 H new ATOM 0 HA LEU A 557 6.620 9.257 -3.951 1.00 0.78 H new ATOM 0 HB2 LEU A 557 9.007 11.029 -3.208 1.00 1.00 H new ATOM 0 HB3 LEU A 557 7.404 11.115 -2.504 1.00 1.00 H new ATOM 0 HG LEU A 557 9.372 8.855 -2.249 1.00 0.94 H new ATOM 0 HD11 LEU A 557 9.410 9.477 0.185 1.00 1.16 H new ATOM 0 HD12 LEU A 557 9.975 10.801 -0.861 1.00 1.16 H new ATOM 0 HD13 LEU A 557 8.333 10.846 -0.177 1.00 1.16 H new ATOM 0 HD21 LEU A 557 7.820 7.878 -0.553 1.00 0.96 H new ATOM 0 HD22 LEU A 557 6.631 9.140 -0.950 1.00 0.96 H new ATOM 0 HD23 LEU A 557 7.101 7.943 -2.180 1.00 0.96 H new ATOM 368 N THR A 558 7.988 10.980 -6.296 1.00 0.81 N ATOM 369 CA THR A 558 7.977 12.143 -7.213 1.00 0.91 C ATOM 370 C THR A 558 6.657 12.395 -7.969 1.00 0.83 C ATOM 371 O THR A 558 6.410 13.511 -8.434 1.00 1.05 O ATOM 372 CB THR A 558 9.158 12.021 -8.190 1.00 1.07 C ATOM 373 OG1 THR A 558 9.562 13.295 -8.628 1.00 2.23 O ATOM 374 CG2 THR A 558 8.872 11.148 -9.415 1.00 2.87 C ATOM 0 H THR A 558 8.670 10.270 -6.562 1.00 0.81 H new ATOM 0 HA THR A 558 8.078 13.023 -6.577 1.00 0.91 H new ATOM 0 HB THR A 558 9.950 11.529 -7.625 1.00 1.07 H new ATOM 0 HG1 THR A 558 10.315 13.204 -9.248 1.00 2.23 H new ATOM 0 HG21 THR A 558 9.756 11.115 -10.052 1.00 2.87 H new ATOM 0 HG22 THR A 558 8.620 10.138 -9.091 1.00 2.87 H new ATOM 0 HG23 THR A 558 8.037 11.569 -9.975 1.00 2.87 H new ATOM 382 N LYS A 559 5.793 11.376 -8.091 1.00 0.67 N ATOM 383 CA LYS A 559 4.428 11.448 -8.665 1.00 0.76 C ATOM 384 C LYS A 559 3.308 10.984 -7.719 1.00 0.88 C ATOM 385 O LYS A 559 2.152 10.924 -8.138 1.00 1.25 O ATOM 386 CB LYS A 559 4.390 10.673 -9.998 1.00 0.93 C ATOM 387 CG LYS A 559 4.762 9.181 -9.872 1.00 1.23 C ATOM 388 CD LYS A 559 3.715 8.211 -10.446 1.00 1.56 C ATOM 389 CE LYS A 559 2.556 7.944 -9.472 1.00 1.84 C ATOM 390 NZ LYS A 559 1.551 7.022 -10.056 1.00 2.74 N ATOM 0 H LYS A 559 6.031 10.434 -7.780 1.00 0.67 H new ATOM 0 HA LYS A 559 4.220 12.504 -8.836 1.00 0.76 H new ATOM 0 HB2 LYS A 559 3.389 10.752 -10.423 1.00 0.93 H new ATOM 0 HB3 LYS A 559 5.074 11.148 -10.702 1.00 0.93 H new ATOM 0 HG2 LYS A 559 5.712 9.012 -10.380 1.00 1.23 H new ATOM 0 HG3 LYS A 559 4.917 8.946 -8.819 1.00 1.23 H new ATOM 0 HD2 LYS A 559 3.317 8.621 -11.374 1.00 1.56 H new ATOM 0 HD3 LYS A 559 4.199 7.267 -10.696 1.00 1.56 H new ATOM 0 HE2 LYS A 559 2.948 7.518 -8.548 1.00 1.84 H new ATOM 0 HE3 LYS A 559 2.076 8.887 -9.210 1.00 1.84 H new ATOM 0 HZ1 LYS A 559 0.784 6.865 -9.371 1.00 2.74 H new ATOM 0 HZ2 LYS A 559 1.159 7.440 -10.924 1.00 2.74 H new ATOM 0 HZ3 LYS A 559 2.004 6.114 -10.283 1.00 2.74 H new ATOM 404 N LEU A 560 3.662 10.594 -6.492 1.00 0.75 N ATOM 405 CA LEU A 560 2.864 9.742 -5.602 1.00 0.82 C ATOM 406 C LEU A 560 1.685 10.527 -4.990 1.00 1.17 C ATOM 407 O LEU A 560 1.890 11.614 -4.438 1.00 1.80 O ATOM 408 CB LEU A 560 3.840 9.133 -4.574 1.00 1.18 C ATOM 409 CG LEU A 560 3.432 7.769 -3.992 1.00 1.37 C ATOM 410 CD1 LEU A 560 4.590 7.198 -3.178 1.00 2.67 C ATOM 411 CD2 LEU A 560 2.245 7.852 -3.045 1.00 1.21 C ATOM 0 H LEU A 560 4.549 10.874 -6.073 1.00 0.75 H new ATOM 0 HA LEU A 560 2.380 8.926 -6.139 1.00 0.82 H new ATOM 0 HB2 LEU A 560 4.817 9.028 -5.046 1.00 1.18 H new ATOM 0 HB3 LEU A 560 3.958 9.838 -3.751 1.00 1.18 H new ATOM 0 HG LEU A 560 3.165 7.146 -4.846 1.00 1.37 H new ATOM 0 HD11 LEU A 560 4.302 6.231 -2.765 1.00 2.67 H new ATOM 0 HD12 LEU A 560 5.461 7.073 -3.822 1.00 2.67 H new ATOM 0 HD13 LEU A 560 4.835 7.882 -2.365 1.00 2.67 H new ATOM 0 HD21 LEU A 560 2.008 6.856 -2.670 1.00 1.21 H new ATOM 0 HD22 LEU A 560 2.492 8.506 -2.208 1.00 1.21 H new ATOM 0 HD23 LEU A 560 1.383 8.254 -3.577 1.00 1.21 H new ATOM 423 N LYS A 561 0.462 9.999 -5.129 1.00 0.97 N ATOM 424 CA LYS A 561 -0.821 10.722 -5.002 1.00 1.21 C ATOM 425 C LYS A 561 -1.657 10.324 -3.774 1.00 1.01 C ATOM 426 O LYS A 561 -1.726 9.144 -3.425 1.00 0.75 O ATOM 427 CB LYS A 561 -1.622 10.464 -6.291 1.00 1.50 C ATOM 428 CG LYS A 561 -2.642 11.561 -6.634 1.00 1.86 C ATOM 429 CD LYS A 561 -2.150 12.521 -7.735 1.00 2.37 C ATOM 430 CE LYS A 561 -0.791 13.170 -7.421 1.00 2.48 C ATOM 431 NZ LYS A 561 -0.344 14.054 -8.521 1.00 2.86 N ATOM 0 H LYS A 561 0.328 9.011 -5.343 1.00 0.97 H new ATOM 0 HA LYS A 561 -0.595 11.779 -4.858 1.00 1.21 H new ATOM 0 HB2 LYS A 561 -0.925 10.360 -7.123 1.00 1.50 H new ATOM 0 HB3 LYS A 561 -2.147 9.514 -6.194 1.00 1.50 H new ATOM 0 HG2 LYS A 561 -3.573 11.095 -6.956 1.00 1.86 H new ATOM 0 HG3 LYS A 561 -2.867 12.134 -5.734 1.00 1.86 H new ATOM 0 HD2 LYS A 561 -2.074 11.975 -8.675 1.00 2.37 H new ATOM 0 HD3 LYS A 561 -2.893 13.305 -7.881 1.00 2.37 H new ATOM 0 HE2 LYS A 561 -0.866 13.745 -6.498 1.00 2.48 H new ATOM 0 HE3 LYS A 561 -0.046 12.393 -7.252 1.00 2.48 H new ATOM 0 HZ1 LYS A 561 0.575 14.475 -8.276 1.00 2.86 H new ATOM 0 HZ2 LYS A 561 -0.249 13.499 -9.395 1.00 2.86 H new ATOM 0 HZ3 LYS A 561 -1.044 14.810 -8.665 1.00 2.86 H new ATOM 445 N PHE A 562 -2.334 11.301 -3.165 1.00 1.32 N ATOM 446 CA PHE A 562 -3.188 11.118 -1.976 1.00 1.24 C ATOM 447 C PHE A 562 -4.695 11.103 -2.313 1.00 1.17 C ATOM 448 O PHE A 562 -5.135 11.779 -3.245 1.00 1.25 O ATOM 449 CB PHE A 562 -2.812 12.144 -0.887 1.00 1.38 C ATOM 450 CG PHE A 562 -3.864 13.189 -0.567 1.00 1.22 C ATOM 451 CD1 PHE A 562 -3.903 14.411 -1.264 1.00 2.04 C ATOM 452 CD2 PHE A 562 -4.822 12.920 0.427 1.00 1.91 C ATOM 453 CE1 PHE A 562 -4.907 15.355 -0.975 1.00 2.13 C ATOM 454 CE2 PHE A 562 -5.821 13.864 0.718 1.00 1.90 C ATOM 455 CZ PHE A 562 -5.870 15.079 0.012 1.00 1.35 C ATOM 0 H PHE A 562 -2.306 12.268 -3.489 1.00 1.32 H new ATOM 0 HA PHE A 562 -2.993 10.125 -1.571 1.00 1.24 H new ATOM 0 HB2 PHE A 562 -2.576 11.602 0.029 1.00 1.38 H new ATOM 0 HB3 PHE A 562 -1.902 12.657 -1.198 1.00 1.38 H new ATOM 0 HD1 PHE A 562 -3.163 14.625 -2.021 1.00 2.04 H new ATOM 0 HD2 PHE A 562 -4.790 11.986 0.968 1.00 1.91 H new ATOM 0 HE1 PHE A 562 -4.938 16.292 -1.512 1.00 2.13 H new ATOM 0 HE2 PHE A 562 -6.552 13.656 1.485 1.00 1.90 H new ATOM 0 HZ PHE A 562 -6.646 15.799 0.227 1.00 1.35 H new ATOM 465 N GLU A 563 -5.500 10.359 -1.545 1.00 1.07 N ATOM 466 CA GLU A 563 -6.947 10.168 -1.762 1.00 1.00 C ATOM 467 C GLU A 563 -7.739 10.154 -0.436 1.00 0.91 C ATOM 468 O GLU A 563 -7.172 9.979 0.640 1.00 1.07 O ATOM 469 CB GLU A 563 -7.184 8.871 -2.566 1.00 1.04 C ATOM 470 CG GLU A 563 -6.792 9.043 -4.045 1.00 2.26 C ATOM 471 CD GLU A 563 -6.904 7.761 -4.872 1.00 2.52 C ATOM 472 OE1 GLU A 563 -7.836 6.949 -4.691 1.00 2.51 O ATOM 473 OE2 GLU A 563 -6.031 7.536 -5.751 1.00 3.65 O ATOM 0 H GLU A 563 -5.155 9.855 -0.728 1.00 1.07 H new ATOM 0 HA GLU A 563 -7.318 11.018 -2.335 1.00 1.00 H new ATOM 0 HB2 GLU A 563 -6.604 8.059 -2.127 1.00 1.04 H new ATOM 0 HB3 GLU A 563 -8.234 8.586 -2.498 1.00 1.04 H new ATOM 0 HG2 GLU A 563 -7.427 9.808 -4.492 1.00 2.26 H new ATOM 0 HG3 GLU A 563 -5.767 9.409 -4.098 1.00 2.26 H new ATOM 480 N VAL A 564 -9.059 10.355 -0.488 1.00 0.76 N ATOM 481 CA VAL A 564 -9.946 10.402 0.696 1.00 0.70 C ATOM 482 C VAL A 564 -11.229 9.602 0.471 1.00 0.68 C ATOM 483 O VAL A 564 -11.779 9.606 -0.632 1.00 0.74 O ATOM 484 CB VAL A 564 -10.318 11.855 1.063 1.00 0.74 C ATOM 485 CG1 VAL A 564 -10.980 11.992 2.433 1.00 0.84 C ATOM 486 CG2 VAL A 564 -9.094 12.770 1.090 1.00 0.75 C ATOM 0 H VAL A 564 -9.558 10.493 -1.367 1.00 0.76 H new ATOM 0 HA VAL A 564 -9.388 9.955 1.519 1.00 0.70 H new ATOM 0 HB VAL A 564 -11.020 12.147 0.282 1.00 0.74 H new ATOM 0 HG11 VAL A 564 -11.213 13.040 2.622 1.00 0.84 H new ATOM 0 HG12 VAL A 564 -11.900 11.407 2.453 1.00 0.84 H new ATOM 0 HG13 VAL A 564 -10.301 11.627 3.203 1.00 0.84 H new ATOM 0 HG21 VAL A 564 -9.402 13.782 1.352 1.00 0.75 H new ATOM 0 HG22 VAL A 564 -8.382 12.404 1.830 1.00 0.75 H new ATOM 0 HG23 VAL A 564 -8.624 12.777 0.107 1.00 0.75 H new ATOM 496 N PHE A 565 -11.762 8.983 1.525 1.00 0.64 N ATOM 497 CA PHE A 565 -13.090 8.357 1.543 1.00 0.65 C ATOM 498 C PHE A 565 -13.899 8.821 2.763 1.00 0.64 C ATOM 499 O PHE A 565 -13.340 9.037 3.839 1.00 0.62 O ATOM 500 CB PHE A 565 -12.958 6.834 1.502 1.00 0.65 C ATOM 501 CG PHE A 565 -12.241 6.288 0.279 1.00 0.70 C ATOM 502 CD1 PHE A 565 -10.832 6.295 0.214 1.00 2.02 C ATOM 503 CD2 PHE A 565 -12.988 5.727 -0.773 1.00 1.55 C ATOM 504 CE1 PHE A 565 -10.175 5.738 -0.898 1.00 2.14 C ATOM 505 CE2 PHE A 565 -12.329 5.161 -1.877 1.00 1.50 C ATOM 506 CZ PHE A 565 -10.924 5.158 -1.934 1.00 0.91 C ATOM 0 H PHE A 565 -11.271 8.899 2.415 1.00 0.64 H new ATOM 0 HA PHE A 565 -13.636 8.672 0.654 1.00 0.65 H new ATOM 0 HB2 PHE A 565 -12.425 6.506 2.394 1.00 0.65 H new ATOM 0 HB3 PHE A 565 -13.955 6.396 1.547 1.00 0.65 H new ATOM 0 HD1 PHE A 565 -10.257 6.728 1.019 1.00 2.02 H new ATOM 0 HD2 PHE A 565 -14.067 5.731 -0.732 1.00 1.55 H new ATOM 0 HE1 PHE A 565 -9.097 5.756 -0.955 1.00 2.14 H new ATOM 0 HE2 PHE A 565 -12.902 4.728 -2.683 1.00 1.50 H new ATOM 0 HZ PHE A 565 -10.420 4.708 -2.777 1.00 0.91 H new ATOM 516 N GLN A 566 -15.211 8.986 2.591 1.00 0.72 N ATOM 517 CA GLN A 566 -16.134 9.451 3.634 1.00 0.75 C ATOM 518 C GLN A 566 -16.647 8.266 4.499 1.00 0.72 C ATOM 519 O GLN A 566 -16.564 7.114 4.060 1.00 0.72 O ATOM 520 CB GLN A 566 -17.306 10.212 2.980 1.00 0.86 C ATOM 521 CG GLN A 566 -17.030 11.213 1.854 1.00 1.19 C ATOM 522 CD GLN A 566 -16.176 12.355 2.342 1.00 1.37 C ATOM 523 OE1 GLN A 566 -16.608 13.234 3.084 1.00 2.87 O ATOM 524 NE2 GLN A 566 -14.917 12.356 1.998 1.00 1.03 N ATOM 0 H GLN A 566 -15.675 8.796 1.703 1.00 0.72 H new ATOM 0 HA GLN A 566 -15.601 10.128 4.302 1.00 0.75 H new ATOM 0 HB2 GLN A 566 -18.000 9.467 2.590 1.00 0.86 H new ATOM 0 HB3 GLN A 566 -17.827 10.749 3.772 1.00 0.86 H new ATOM 0 HG2 GLN A 566 -16.530 10.707 1.028 1.00 1.19 H new ATOM 0 HG3 GLN A 566 -17.973 11.599 1.467 1.00 1.19 H new ATOM 0 HE21 GLN A 566 -14.556 11.627 1.382 1.00 1.03 H new ATOM 0 HE22 GLN A 566 -14.294 13.085 2.345 1.00 1.03 H new ATOM 533 N PRO A 567 -17.221 8.498 5.701 1.00 0.76 N ATOM 534 CA PRO A 567 -17.593 7.417 6.620 1.00 0.77 C ATOM 535 C PRO A 567 -18.624 6.444 6.024 1.00 0.80 C ATOM 536 O PRO A 567 -19.685 6.866 5.552 1.00 0.90 O ATOM 537 CB PRO A 567 -18.147 8.090 7.885 1.00 0.84 C ATOM 538 CG PRO A 567 -17.720 9.553 7.785 1.00 0.85 C ATOM 539 CD PRO A 567 -17.516 9.795 6.294 1.00 0.83 C ATOM 0 HA PRO A 567 -16.717 6.806 6.835 1.00 0.77 H new ATOM 0 HB2 PRO A 567 -19.232 8.000 7.935 1.00 0.84 H new ATOM 0 HB3 PRO A 567 -17.747 7.624 8.785 1.00 0.84 H new ATOM 0 HG2 PRO A 567 -18.482 10.217 8.193 1.00 0.85 H new ATOM 0 HG3 PRO A 567 -16.803 9.737 8.345 1.00 0.85 H new ATOM 0 HD2 PRO A 567 -18.408 10.232 5.846 1.00 0.83 H new ATOM 0 HD3 PRO A 567 -16.698 10.495 6.123 1.00 0.83 H new ATOM 547 N GLY A 568 -18.326 5.141 6.064 1.00 0.77 N ATOM 548 CA GLY A 568 -19.209 4.057 5.625 1.00 0.85 C ATOM 549 C GLY A 568 -18.942 3.574 4.199 1.00 0.88 C ATOM 550 O GLY A 568 -19.576 2.612 3.757 1.00 1.05 O ATOM 0 H GLY A 568 -17.431 4.801 6.416 1.00 0.77 H new ATOM 0 HA2 GLY A 568 -19.101 3.215 6.309 1.00 0.85 H new ATOM 0 HA3 GLY A 568 -20.243 4.394 5.696 1.00 0.85 H new ATOM 554 N ASP A 569 -18.010 4.212 3.480 1.00 0.81 N ATOM 555 CA ASP A 569 -17.736 3.938 2.077 1.00 0.86 C ATOM 556 C ASP A 569 -16.673 2.842 1.898 1.00 0.81 C ATOM 557 O ASP A 569 -15.599 2.895 2.501 1.00 0.79 O ATOM 558 CB ASP A 569 -17.364 5.246 1.347 1.00 0.91 C ATOM 559 CG ASP A 569 -17.619 5.179 -0.162 1.00 1.00 C ATOM 560 OD1 ASP A 569 -18.715 4.722 -0.558 1.00 1.97 O ATOM 561 OD2 ASP A 569 -16.763 5.621 -0.967 1.00 2.12 O ATOM 0 H ASP A 569 -17.418 4.945 3.871 1.00 0.81 H new ATOM 0 HA ASP A 569 -18.644 3.544 1.620 1.00 0.86 H new ATOM 0 HB2 ASP A 569 -17.939 6.069 1.771 1.00 0.91 H new ATOM 0 HB3 ASP A 569 -16.311 5.468 1.523 1.00 0.91 H new ATOM 566 N TYR A 570 -16.957 1.845 1.059 1.00 0.85 N ATOM 567 CA TYR A 570 -15.992 0.796 0.700 1.00 0.88 C ATOM 568 C TYR A 570 -14.810 1.402 -0.067 1.00 0.88 C ATOM 569 O TYR A 570 -14.970 1.932 -1.173 1.00 0.96 O ATOM 570 CB TYR A 570 -16.649 -0.343 -0.095 1.00 1.06 C ATOM 571 CG TYR A 570 -17.583 -1.199 0.739 1.00 1.19 C ATOM 572 CD1 TYR A 570 -17.069 -2.198 1.589 1.00 1.99 C ATOM 573 CD2 TYR A 570 -18.969 -0.979 0.680 1.00 2.34 C ATOM 574 CE1 TYR A 570 -17.942 -2.948 2.406 1.00 2.09 C ATOM 575 CE2 TYR A 570 -19.842 -1.716 1.498 1.00 2.49 C ATOM 576 CZ TYR A 570 -19.332 -2.690 2.381 1.00 1.60 C ATOM 577 OH TYR A 570 -20.175 -3.366 3.210 1.00 1.83 O ATOM 0 H TYR A 570 -17.865 1.739 0.606 1.00 0.85 H new ATOM 0 HA TYR A 570 -15.617 0.357 1.624 1.00 0.88 H new ATOM 0 HB2 TYR A 570 -17.206 0.081 -0.931 1.00 1.06 H new ATOM 0 HB3 TYR A 570 -15.870 -0.976 -0.520 1.00 1.06 H new ATOM 0 HD1 TYR A 570 -16.007 -2.390 1.615 1.00 1.99 H new ATOM 0 HD2 TYR A 570 -19.366 -0.239 0.002 1.00 2.34 H new ATOM 0 HE1 TYR A 570 -17.548 -3.720 3.051 1.00 2.09 H new ATOM 0 HE2 TYR A 570 -20.906 -1.536 1.450 1.00 2.49 H new ATOM 0 HH TYR A 570 -21.095 -3.062 3.060 1.00 1.83 H new ATOM 587 N ILE A 571 -13.613 1.318 0.515 1.00 0.84 N ATOM 588 CA ILE A 571 -12.412 1.965 -0.028 1.00 0.85 C ATOM 589 C ILE A 571 -11.827 1.182 -1.216 1.00 0.93 C ATOM 590 O ILE A 571 -11.312 1.765 -2.169 1.00 1.07 O ATOM 591 CB ILE A 571 -11.371 2.194 1.087 1.00 0.74 C ATOM 592 CG1 ILE A 571 -10.945 0.890 1.783 1.00 0.70 C ATOM 593 CG2 ILE A 571 -11.895 3.153 2.167 1.00 0.73 C ATOM 594 CD1 ILE A 571 -9.545 0.997 2.351 1.00 0.79 C ATOM 0 H ILE A 571 -13.446 0.799 1.377 1.00 0.84 H new ATOM 0 HA ILE A 571 -12.701 2.941 -0.418 1.00 0.85 H new ATOM 0 HB ILE A 571 -10.508 2.628 0.582 1.00 0.74 H new ATOM 0 HG12 ILE A 571 -11.647 0.657 2.584 1.00 0.70 H new ATOM 0 HG13 ILE A 571 -10.988 0.065 1.071 1.00 0.70 H new ATOM 0 HG21 ILE A 571 -11.133 3.288 2.934 1.00 0.73 H new ATOM 0 HG22 ILE A 571 -12.130 4.117 1.715 1.00 0.73 H new ATOM 0 HG23 ILE A 571 -12.795 2.735 2.619 1.00 0.73 H new ATOM 0 HD11 ILE A 571 -9.276 0.058 2.836 1.00 0.79 H new ATOM 0 HD12 ILE A 571 -8.840 1.204 1.546 1.00 0.79 H new ATOM 0 HD13 ILE A 571 -9.509 1.805 3.081 1.00 0.79 H new ATOM 606 N ILE A 572 -11.960 -0.147 -1.187 1.00 0.93 N ATOM 607 CA ILE A 572 -11.340 -1.111 -2.094 1.00 1.01 C ATOM 608 C ILE A 572 -12.410 -2.066 -2.639 1.00 1.14 C ATOM 609 O ILE A 572 -13.223 -2.588 -1.871 1.00 1.43 O ATOM 610 CB ILE A 572 -10.223 -1.871 -1.332 1.00 1.24 C ATOM 611 CG1 ILE A 572 -9.033 -0.915 -1.107 1.00 1.65 C ATOM 612 CG2 ILE A 572 -9.753 -3.136 -2.067 1.00 1.35 C ATOM 613 CD1 ILE A 572 -7.901 -1.459 -0.229 1.00 1.24 C ATOM 0 H ILE A 572 -12.541 -0.605 -0.484 1.00 0.93 H new ATOM 0 HA ILE A 572 -10.888 -0.601 -2.945 1.00 1.01 H new ATOM 0 HB ILE A 572 -10.636 -2.202 -0.379 1.00 1.24 H new ATOM 0 HG12 ILE A 572 -8.618 -0.646 -2.078 1.00 1.65 H new ATOM 0 HG13 ILE A 572 -9.409 0.003 -0.656 1.00 1.65 H new ATOM 0 HG21 ILE A 572 -8.971 -3.625 -1.486 1.00 1.35 H new ATOM 0 HG22 ILE A 572 -10.594 -3.818 -2.191 1.00 1.35 H new ATOM 0 HG23 ILE A 572 -9.360 -2.863 -3.046 1.00 1.35 H new ATOM 0 HD11 ILE A 572 -7.118 -0.706 -0.137 1.00 1.24 H new ATOM 0 HD12 ILE A 572 -8.291 -1.699 0.760 1.00 1.24 H new ATOM 0 HD13 ILE A 572 -7.488 -2.359 -0.684 1.00 1.24 H new ATOM 625 N ARG A 573 -12.348 -2.365 -3.942 1.00 1.34 N ATOM 626 CA ARG A 573 -13.018 -3.515 -4.562 1.00 1.64 C ATOM 627 C ARG A 573 -12.024 -4.233 -5.479 1.00 1.39 C ATOM 628 O ARG A 573 -11.783 -3.795 -6.604 1.00 1.91 O ATOM 629 CB ARG A 573 -14.308 -3.065 -5.286 1.00 2.41 C ATOM 630 CG ARG A 573 -15.465 -4.073 -5.176 1.00 3.40 C ATOM 631 CD ARG A 573 -15.143 -5.527 -5.566 1.00 4.08 C ATOM 632 NE ARG A 573 -14.801 -5.687 -6.990 1.00 5.08 N ATOM 633 CZ ARG A 573 -15.648 -5.827 -7.992 1.00 6.10 C ATOM 634 NH1 ARG A 573 -16.936 -5.746 -7.853 1.00 6.41 N ATOM 635 NH2 ARG A 573 -15.237 -6.064 -9.198 1.00 7.44 N ATOM 0 H ARG A 573 -11.820 -1.803 -4.609 1.00 1.34 H new ATOM 0 HA ARG A 573 -13.338 -4.228 -3.802 1.00 1.64 H new ATOM 0 HB2 ARG A 573 -14.631 -2.109 -4.873 1.00 2.41 H new ATOM 0 HB3 ARG A 573 -14.083 -2.898 -6.339 1.00 2.41 H new ATOM 0 HG2 ARG A 573 -15.827 -4.067 -4.148 1.00 3.40 H new ATOM 0 HG3 ARG A 573 -16.284 -3.724 -5.805 1.00 3.40 H new ATOM 0 HD2 ARG A 573 -14.312 -5.883 -4.958 1.00 4.08 H new ATOM 0 HD3 ARG A 573 -16.001 -6.157 -5.333 1.00 4.08 H new ATOM 0 HE ARG A 573 -13.809 -5.690 -7.225 1.00 5.08 H new ATOM 0 HH11 ARG A 573 -17.339 -5.566 -6.934 1.00 6.41 H new ATOM 0 HH12 ARG A 573 -17.545 -5.863 -8.663 1.00 6.41 H new ATOM 0 HH21 ARG A 573 -14.239 -6.146 -9.390 1.00 7.44 H new ATOM 0 HH22 ARG A 573 -15.912 -6.168 -9.956 1.00 7.44 H new ATOM 649 N GLU A 574 -11.432 -5.319 -4.982 1.00 1.68 N ATOM 650 CA GLU A 574 -10.442 -6.112 -5.734 1.00 1.62 C ATOM 651 C GLU A 574 -11.095 -6.837 -6.924 1.00 1.84 C ATOM 652 O GLU A 574 -12.318 -6.995 -6.987 1.00 2.81 O ATOM 653 CB GLU A 574 -9.705 -7.104 -4.806 1.00 2.85 C ATOM 654 CG GLU A 574 -8.179 -6.905 -4.805 1.00 3.66 C ATOM 655 CD GLU A 574 -7.457 -7.423 -6.056 1.00 4.06 C ATOM 656 OE1 GLU A 574 -7.677 -6.832 -7.141 1.00 4.41 O ATOM 657 OE2 GLU A 574 -6.614 -8.342 -5.915 1.00 4.93 O ATOM 0 H GLU A 574 -11.621 -5.679 -4.047 1.00 1.68 H new ATOM 0 HA GLU A 574 -9.701 -5.423 -6.138 1.00 1.62 H new ATOM 0 HB2 GLU A 574 -10.081 -6.990 -3.789 1.00 2.85 H new ATOM 0 HB3 GLU A 574 -9.933 -8.123 -5.118 1.00 2.85 H new ATOM 0 HG2 GLU A 574 -7.966 -5.842 -4.695 1.00 3.66 H new ATOM 0 HG3 GLU A 574 -7.763 -7.405 -3.930 1.00 3.66 H new ATOM 664 N GLY A 575 -10.281 -7.297 -7.868 1.00 1.70 N ATOM 665 CA GLY A 575 -10.720 -8.067 -9.022 1.00 2.68 C ATOM 666 C GLY A 575 -9.778 -8.018 -10.223 1.00 2.52 C ATOM 667 O GLY A 575 -10.256 -8.253 -11.332 1.00 3.43 O ATOM 0 H GLY A 575 -9.273 -7.140 -7.850 1.00 1.70 H new ATOM 0 HA2 GLY A 575 -10.847 -9.107 -8.720 1.00 2.68 H new ATOM 0 HA3 GLY A 575 -11.700 -7.703 -9.332 1.00 2.68 H new ATOM 671 N THR A 576 -8.476 -7.719 -10.074 1.00 1.64 N ATOM 672 CA THR A 576 -7.576 -7.747 -11.250 1.00 1.69 C ATOM 673 C THR A 576 -6.179 -8.296 -11.016 1.00 1.32 C ATOM 674 O THR A 576 -5.606 -8.226 -9.929 1.00 1.44 O ATOM 675 CB THR A 576 -7.510 -6.394 -11.967 1.00 2.16 C ATOM 676 OG1 THR A 576 -7.037 -6.603 -13.274 1.00 2.34 O ATOM 677 CG2 THR A 576 -6.619 -5.342 -11.309 1.00 2.70 C ATOM 0 H THR A 576 -8.033 -7.465 -9.191 1.00 1.64 H new ATOM 0 HA THR A 576 -8.057 -8.478 -11.900 1.00 1.69 H new ATOM 0 HB THR A 576 -8.525 -5.997 -11.931 1.00 2.16 H new ATOM 0 HG1 THR A 576 -6.991 -5.746 -13.746 1.00 2.34 H new ATOM 0 HG21 THR A 576 -6.644 -4.424 -11.897 1.00 2.70 H new ATOM 0 HG22 THR A 576 -6.981 -5.138 -10.301 1.00 2.70 H new ATOM 0 HG23 THR A 576 -5.595 -5.712 -11.259 1.00 2.70 H new ATOM 685 N ILE A 577 -5.615 -8.826 -12.100 1.00 1.36 N ATOM 686 CA ILE A 577 -4.213 -9.214 -12.169 1.00 1.39 C ATOM 687 C ILE A 577 -3.394 -7.916 -12.286 1.00 1.35 C ATOM 688 O ILE A 577 -3.639 -7.091 -13.175 1.00 1.48 O ATOM 689 CB ILE A 577 -3.953 -10.180 -13.353 1.00 1.68 C ATOM 690 CG1 ILE A 577 -4.510 -11.610 -13.138 1.00 1.95 C ATOM 691 CG2 ILE A 577 -2.442 -10.332 -13.621 1.00 1.92 C ATOM 692 CD1 ILE A 577 -6.019 -11.748 -12.914 1.00 2.05 C ATOM 0 H ILE A 577 -6.128 -8.999 -12.964 1.00 1.36 H new ATOM 0 HA ILE A 577 -3.916 -9.763 -11.275 1.00 1.39 H new ATOM 0 HB ILE A 577 -4.475 -9.721 -14.193 1.00 1.68 H new ATOM 0 HG12 ILE A 577 -4.241 -12.211 -14.007 1.00 1.95 H new ATOM 0 HG13 ILE A 577 -4.000 -12.045 -12.279 1.00 1.95 H new ATOM 0 HG21 ILE A 577 -2.288 -11.015 -14.456 1.00 1.92 H new ATOM 0 HG22 ILE A 577 -2.016 -9.359 -13.864 1.00 1.92 H new ATOM 0 HG23 ILE A 577 -1.953 -10.730 -12.732 1.00 1.92 H new ATOM 0 HD11 ILE A 577 -6.272 -12.799 -12.778 1.00 2.05 H new ATOM 0 HD12 ILE A 577 -6.308 -11.187 -12.025 1.00 2.05 H new ATOM 0 HD13 ILE A 577 -6.553 -11.356 -13.780 1.00 2.05 H new ATOM 704 N GLY A 578 -2.408 -7.732 -11.407 1.00 1.42 N ATOM 705 CA GLY A 578 -1.491 -6.591 -11.437 1.00 1.58 C ATOM 706 C GLY A 578 -1.944 -5.377 -10.620 1.00 1.42 C ATOM 707 O GLY A 578 -1.457 -4.274 -10.877 1.00 1.65 O ATOM 0 H GLY A 578 -2.221 -8.381 -10.643 1.00 1.42 H new ATOM 0 HA2 GLY A 578 -0.518 -6.916 -11.068 1.00 1.58 H new ATOM 0 HA3 GLY A 578 -1.353 -6.282 -12.473 1.00 1.58 H new ATOM 711 N LYS A 579 -2.885 -5.559 -9.681 1.00 1.31 N ATOM 712 CA LYS A 579 -3.525 -4.500 -8.878 1.00 1.24 C ATOM 713 C LYS A 579 -2.551 -3.625 -8.060 1.00 1.06 C ATOM 714 O LYS A 579 -1.463 -4.079 -7.698 1.00 1.19 O ATOM 715 CB LYS A 579 -4.624 -5.126 -8.003 1.00 1.50 C ATOM 716 CG LYS A 579 -4.094 -6.060 -6.898 1.00 3.42 C ATOM 717 CD LYS A 579 -4.575 -5.577 -5.525 1.00 3.92 C ATOM 718 CE LYS A 579 -4.015 -6.405 -4.356 1.00 6.19 C ATOM 719 NZ LYS A 579 -4.266 -7.859 -4.489 1.00 7.35 N ATOM 0 H LYS A 579 -3.238 -6.488 -9.449 1.00 1.31 H new ATOM 0 HA LYS A 579 -3.968 -3.793 -9.580 1.00 1.24 H new ATOM 0 HB2 LYS A 579 -5.204 -4.327 -7.541 1.00 1.50 H new ATOM 0 HB3 LYS A 579 -5.306 -5.687 -8.642 1.00 1.50 H new ATOM 0 HG2 LYS A 579 -4.439 -7.079 -7.075 1.00 3.42 H new ATOM 0 HG3 LYS A 579 -3.005 -6.084 -6.923 1.00 3.42 H new ATOM 0 HD2 LYS A 579 -4.286 -4.534 -5.393 1.00 3.92 H new ATOM 0 HD3 LYS A 579 -5.664 -5.612 -5.497 1.00 3.92 H new ATOM 0 HE2 LYS A 579 -2.941 -6.235 -4.282 1.00 6.19 H new ATOM 0 HE3 LYS A 579 -4.458 -6.051 -3.425 1.00 6.19 H new ATOM 0 HZ1 LYS A 579 -4.050 -8.332 -3.588 1.00 7.35 H new ATOM 0 HZ2 LYS A 579 -5.264 -8.018 -4.733 1.00 7.35 H new ATOM 0 HZ3 LYS A 579 -3.660 -8.249 -5.239 1.00 7.35 H new ATOM 733 N LYS A 580 -2.952 -2.384 -7.744 1.00 0.96 N ATOM 734 CA LYS A 580 -2.104 -1.379 -7.062 1.00 0.90 C ATOM 735 C LYS A 580 -2.163 -1.445 -5.525 1.00 0.85 C ATOM 736 O LYS A 580 -2.986 -2.167 -4.964 1.00 1.00 O ATOM 737 CB LYS A 580 -2.388 0.028 -7.625 1.00 1.03 C ATOM 738 CG LYS A 580 -3.657 0.724 -7.099 1.00 1.84 C ATOM 739 CD LYS A 580 -3.792 2.109 -7.752 1.00 2.46 C ATOM 740 CE LYS A 580 -5.064 2.850 -7.313 1.00 3.46 C ATOM 741 NZ LYS A 580 -5.312 4.056 -8.141 1.00 3.92 N ATOM 0 H LYS A 580 -3.888 -2.040 -7.956 1.00 0.96 H new ATOM 0 HA LYS A 580 -1.067 -1.628 -7.287 1.00 0.90 H new ATOM 0 HB2 LYS A 580 -1.531 0.665 -7.405 1.00 1.03 H new ATOM 0 HB3 LYS A 580 -2.461 -0.045 -8.710 1.00 1.03 H new ATOM 0 HG2 LYS A 580 -4.535 0.118 -7.322 1.00 1.84 H new ATOM 0 HG3 LYS A 580 -3.606 0.825 -6.015 1.00 1.84 H new ATOM 0 HD2 LYS A 580 -2.920 2.712 -7.499 1.00 2.46 H new ATOM 0 HD3 LYS A 580 -3.798 1.996 -8.836 1.00 2.46 H new ATOM 0 HE2 LYS A 580 -5.919 2.178 -7.384 1.00 3.46 H new ATOM 0 HE3 LYS A 580 -4.973 3.140 -6.266 1.00 3.46 H new ATOM 0 HZ1 LYS A 580 -6.179 4.529 -7.814 1.00 3.92 H new ATOM 0 HZ2 LYS A 580 -4.507 4.709 -8.053 1.00 3.92 H new ATOM 0 HZ3 LYS A 580 -5.424 3.777 -9.136 1.00 3.92 H new ATOM 755 N MET A 581 -1.275 -0.702 -4.855 1.00 0.77 N ATOM 756 CA MET A 581 -1.134 -0.664 -3.389 1.00 0.80 C ATOM 757 C MET A 581 -1.745 0.608 -2.754 1.00 0.73 C ATOM 758 O MET A 581 -1.741 1.680 -3.369 1.00 0.69 O ATOM 759 CB MET A 581 0.360 -0.868 -3.080 1.00 0.95 C ATOM 760 CG MET A 581 0.726 -0.886 -1.593 1.00 1.27 C ATOM 761 SD MET A 581 1.042 0.753 -0.886 1.00 2.25 S ATOM 762 CE MET A 581 1.454 0.252 0.802 1.00 1.59 C ATOM 0 H MET A 581 -0.612 -0.090 -5.330 1.00 0.77 H new ATOM 0 HA MET A 581 -1.712 -1.464 -2.926 1.00 0.80 H new ATOM 0 HB2 MET A 581 0.681 -1.809 -3.527 1.00 0.95 H new ATOM 0 HB3 MET A 581 0.926 -0.074 -3.567 1.00 0.95 H new ATOM 0 HG2 MET A 581 -0.083 -1.359 -1.037 1.00 1.27 H new ATOM 0 HG3 MET A 581 1.612 -1.506 -1.456 1.00 1.27 H new ATOM 0 HE1 MET A 581 1.560 1.137 1.429 1.00 1.59 H new ATOM 0 HE2 MET A 581 0.659 -0.380 1.198 1.00 1.59 H new ATOM 0 HE3 MET A 581 2.392 -0.304 0.798 1.00 1.59 H new ATOM 772 N TYR A 582 -2.268 0.495 -1.520 1.00 0.78 N ATOM 773 CA TYR A 582 -2.968 1.576 -0.804 1.00 0.73 C ATOM 774 C TYR A 582 -2.645 1.592 0.711 1.00 0.74 C ATOM 775 O TYR A 582 -2.463 0.537 1.325 1.00 0.81 O ATOM 776 CB TYR A 582 -4.495 1.468 -1.005 1.00 0.74 C ATOM 777 CG TYR A 582 -5.015 0.782 -2.261 1.00 1.01 C ATOM 778 CD1 TYR A 582 -5.111 -0.624 -2.300 1.00 2.47 C ATOM 779 CD2 TYR A 582 -5.475 1.543 -3.352 1.00 1.89 C ATOM 780 CE1 TYR A 582 -5.675 -1.266 -3.420 1.00 3.04 C ATOM 781 CE2 TYR A 582 -6.050 0.903 -4.467 1.00 2.10 C ATOM 782 CZ TYR A 582 -6.152 -0.503 -4.504 1.00 2.24 C ATOM 783 OH TYR A 582 -6.726 -1.120 -5.572 1.00 2.91 O ATOM 0 H TYR A 582 -2.214 -0.369 -0.981 1.00 0.78 H new ATOM 0 HA TYR A 582 -2.608 2.512 -1.231 1.00 0.73 H new ATOM 0 HB2 TYR A 582 -4.906 0.940 -0.144 1.00 0.74 H new ATOM 0 HB3 TYR A 582 -4.904 2.478 -0.985 1.00 0.74 H new ATOM 0 HD1 TYR A 582 -4.751 -1.211 -1.468 1.00 2.47 H new ATOM 0 HD2 TYR A 582 -5.387 2.619 -3.334 1.00 1.89 H new ATOM 0 HE1 TYR A 582 -5.742 -2.344 -3.448 1.00 3.04 H new ATOM 0 HE2 TYR A 582 -6.414 1.491 -5.297 1.00 2.10 H new ATOM 0 HH TYR A 582 -7.001 -0.447 -6.230 1.00 2.91 H new ATOM 793 N PHE A 583 -2.617 2.771 1.352 1.00 0.72 N ATOM 794 CA PHE A 583 -2.227 2.899 2.773 1.00 0.73 C ATOM 795 C PHE A 583 -2.890 4.066 3.522 1.00 0.70 C ATOM 796 O PHE A 583 -3.381 5.008 2.901 1.00 0.75 O ATOM 797 CB PHE A 583 -0.693 2.912 2.915 1.00 0.88 C ATOM 798 CG PHE A 583 0.089 4.054 2.287 1.00 1.17 C ATOM 799 CD1 PHE A 583 0.517 3.954 0.949 1.00 2.00 C ATOM 800 CD2 PHE A 583 0.523 5.139 3.072 1.00 2.48 C ATOM 801 CE1 PHE A 583 1.406 4.900 0.411 1.00 2.28 C ATOM 802 CE2 PHE A 583 1.400 6.098 2.528 1.00 2.81 C ATOM 803 CZ PHE A 583 1.861 5.968 1.205 1.00 2.06 C ATOM 0 H PHE A 583 -2.861 3.657 0.909 1.00 0.72 H new ATOM 0 HA PHE A 583 -2.619 2.011 3.270 1.00 0.73 H new ATOM 0 HB2 PHE A 583 -0.460 2.898 3.980 1.00 0.88 H new ATOM 0 HB3 PHE A 583 -0.314 1.981 2.493 1.00 0.88 H new ATOM 0 HD1 PHE A 583 0.159 3.144 0.331 1.00 2.00 H new ATOM 0 HD2 PHE A 583 0.183 5.236 4.093 1.00 2.48 H new ATOM 0 HE1 PHE A 583 1.740 4.807 -0.612 1.00 2.28 H new ATOM 0 HE2 PHE A 583 1.720 6.936 3.129 1.00 2.81 H new ATOM 0 HZ PHE A 583 2.561 6.685 0.801 1.00 2.06 H new ATOM 813 N ILE A 584 -2.942 3.984 4.859 1.00 0.66 N ATOM 814 CA ILE A 584 -3.733 4.884 5.725 1.00 0.66 C ATOM 815 C ILE A 584 -2.867 6.010 6.304 1.00 0.77 C ATOM 816 O ILE A 584 -1.981 5.748 7.117 1.00 0.78 O ATOM 817 CB ILE A 584 -4.449 4.096 6.858 1.00 0.63 C ATOM 818 CG1 ILE A 584 -5.074 2.791 6.316 1.00 0.58 C ATOM 819 CG2 ILE A 584 -5.542 4.992 7.501 1.00 0.64 C ATOM 820 CD1 ILE A 584 -5.850 1.997 7.357 1.00 0.58 C ATOM 0 H ILE A 584 -2.427 3.277 5.384 1.00 0.66 H new ATOM 0 HA ILE A 584 -4.500 5.342 5.100 1.00 0.66 H new ATOM 0 HB ILE A 584 -3.713 3.824 7.614 1.00 0.63 H new ATOM 0 HG12 ILE A 584 -5.741 3.036 5.489 1.00 0.58 H new ATOM 0 HG13 ILE A 584 -4.282 2.162 5.911 1.00 0.58 H new ATOM 0 HG21 ILE A 584 -6.044 4.440 8.295 1.00 0.64 H new ATOM 0 HG22 ILE A 584 -5.080 5.887 7.917 1.00 0.64 H new ATOM 0 HG23 ILE A 584 -6.270 5.279 6.742 1.00 0.64 H new ATOM 0 HD11 ILE A 584 -6.257 1.096 6.898 1.00 0.58 H new ATOM 0 HD12 ILE A 584 -5.184 1.719 8.174 1.00 0.58 H new ATOM 0 HD13 ILE A 584 -6.666 2.607 7.746 1.00 0.58 H new ATOM 832 N GLN A 585 -3.154 7.269 5.947 1.00 0.92 N ATOM 833 CA GLN A 585 -2.390 8.435 6.418 1.00 1.04 C ATOM 834 C GLN A 585 -3.024 9.066 7.665 1.00 1.04 C ATOM 835 O GLN A 585 -2.307 9.406 8.608 1.00 1.14 O ATOM 836 CB GLN A 585 -2.227 9.420 5.245 1.00 1.09 C ATOM 837 CG GLN A 585 -1.212 10.556 5.475 1.00 1.48 C ATOM 838 CD GLN A 585 -1.822 11.827 6.062 1.00 1.90 C ATOM 839 OE1 GLN A 585 -2.364 12.668 5.353 1.00 2.60 O ATOM 840 NE2 GLN A 585 -1.788 12.008 7.360 1.00 2.48 N ATOM 0 H GLN A 585 -3.924 7.509 5.322 1.00 0.92 H new ATOM 0 HA GLN A 585 -1.396 8.125 6.741 1.00 1.04 H new ATOM 0 HB2 GLN A 585 -1.925 8.859 4.360 1.00 1.09 H new ATOM 0 HB3 GLN A 585 -3.199 9.862 5.026 1.00 1.09 H new ATOM 0 HG2 GLN A 585 -0.429 10.199 6.144 1.00 1.48 H new ATOM 0 HG3 GLN A 585 -0.734 10.800 4.526 1.00 1.48 H new ATOM 0 HE21 GLN A 585 -1.340 11.315 7.960 1.00 2.48 H new ATOM 0 HE22 GLN A 585 -2.210 12.841 7.770 1.00 2.48 H new ATOM 849 N HIS A 586 -4.355 9.183 7.695 1.00 0.97 N ATOM 850 CA HIS A 586 -5.124 9.730 8.819 1.00 0.95 C ATOM 851 C HIS A 586 -6.562 9.192 8.798 1.00 0.86 C ATOM 852 O HIS A 586 -7.337 9.509 7.898 1.00 0.84 O ATOM 853 CB HIS A 586 -5.132 11.258 8.694 1.00 0.94 C ATOM 854 CG HIS A 586 -5.935 11.996 9.735 1.00 1.52 C ATOM 855 ND1 HIS A 586 -5.452 12.480 10.927 1.00 2.14 N ATOM 856 CD2 HIS A 586 -7.227 12.438 9.617 1.00 2.88 C ATOM 857 CE1 HIS A 586 -6.418 13.204 11.512 1.00 2.62 C ATOM 858 NE2 HIS A 586 -7.525 13.215 10.746 1.00 3.23 N ATOM 0 H HIS A 586 -4.945 8.892 6.916 1.00 0.97 H new ATOM 0 HA HIS A 586 -4.667 9.430 9.762 1.00 0.95 H new ATOM 0 HB2 HIS A 586 -4.102 11.613 8.737 1.00 0.94 H new ATOM 0 HB3 HIS A 586 -5.519 11.521 7.710 1.00 0.94 H new ATOM 0 HD2 HIS A 586 -7.898 12.225 8.798 1.00 2.88 H new ATOM 0 HE1 HIS A 586 -6.321 13.707 12.463 1.00 2.62 H new ATOM 0 HE2 HIS A 586 -8.404 13.692 10.946 1.00 3.23 H new ATOM 866 N GLY A 587 -6.929 8.370 9.779 1.00 0.86 N ATOM 867 CA GLY A 587 -8.300 7.931 10.010 1.00 0.86 C ATOM 868 C GLY A 587 -8.329 6.561 10.674 1.00 0.82 C ATOM 869 O GLY A 587 -7.358 6.142 11.314 1.00 0.98 O ATOM 0 H GLY A 587 -6.265 7.983 10.450 1.00 0.86 H new ATOM 0 HA2 GLY A 587 -8.817 8.655 10.640 1.00 0.86 H new ATOM 0 HA3 GLY A 587 -8.838 7.892 9.063 1.00 0.86 H new ATOM 873 N VAL A 588 -9.445 5.861 10.480 1.00 0.70 N ATOM 874 CA VAL A 588 -9.695 4.490 10.928 1.00 0.67 C ATOM 875 C VAL A 588 -10.501 3.765 9.835 1.00 0.58 C ATOM 876 O VAL A 588 -11.263 4.392 9.091 1.00 0.57 O ATOM 877 CB VAL A 588 -10.443 4.481 12.288 1.00 0.77 C ATOM 878 CG1 VAL A 588 -10.759 3.075 12.814 1.00 0.82 C ATOM 879 CG2 VAL A 588 -9.635 5.183 13.389 1.00 0.92 C ATOM 0 H VAL A 588 -10.242 6.255 9.980 1.00 0.70 H new ATOM 0 HA VAL A 588 -8.750 3.970 11.086 1.00 0.67 H new ATOM 0 HB VAL A 588 -11.374 5.007 12.075 1.00 0.77 H new ATOM 0 HG11 VAL A 588 -11.282 3.152 13.767 1.00 0.82 H new ATOM 0 HG12 VAL A 588 -11.390 2.551 12.096 1.00 0.82 H new ATOM 0 HG13 VAL A 588 -9.830 2.521 12.953 1.00 0.82 H new ATOM 0 HG21 VAL A 588 -10.194 5.155 14.325 1.00 0.92 H new ATOM 0 HG22 VAL A 588 -8.680 4.673 13.521 1.00 0.92 H new ATOM 0 HG23 VAL A 588 -9.456 6.220 13.104 1.00 0.92 H new ATOM 889 N VAL A 589 -10.353 2.449 9.726 1.00 0.58 N ATOM 890 CA VAL A 589 -11.164 1.584 8.851 1.00 0.54 C ATOM 891 C VAL A 589 -11.794 0.443 9.644 1.00 0.60 C ATOM 892 O VAL A 589 -11.197 -0.067 10.591 1.00 0.70 O ATOM 893 CB VAL A 589 -10.367 1.044 7.651 1.00 0.57 C ATOM 894 CG1 VAL A 589 -9.927 2.173 6.711 1.00 0.61 C ATOM 895 CG2 VAL A 589 -9.146 0.229 8.084 1.00 0.62 C ATOM 0 H VAL A 589 -9.649 1.933 10.254 1.00 0.58 H new ATOM 0 HA VAL A 589 -11.961 2.207 8.445 1.00 0.54 H new ATOM 0 HB VAL A 589 -11.044 0.381 7.113 1.00 0.57 H new ATOM 0 HG11 VAL A 589 -9.367 1.753 5.875 1.00 0.61 H new ATOM 0 HG12 VAL A 589 -10.806 2.695 6.333 1.00 0.61 H new ATOM 0 HG13 VAL A 589 -9.295 2.874 7.256 1.00 0.61 H new ATOM 0 HG21 VAL A 589 -8.617 -0.130 7.201 1.00 0.62 H new ATOM 0 HG22 VAL A 589 -8.480 0.857 8.676 1.00 0.62 H new ATOM 0 HG23 VAL A 589 -9.470 -0.621 8.684 1.00 0.62 H new ATOM 905 N SER A 590 -12.977 0.020 9.205 1.00 0.63 N ATOM 906 CA SER A 590 -13.680 -1.185 9.664 1.00 0.87 C ATOM 907 C SER A 590 -13.682 -2.148 8.487 1.00 1.00 C ATOM 908 O SER A 590 -14.025 -1.819 7.352 1.00 0.92 O ATOM 909 CB SER A 590 -15.135 -0.891 10.049 1.00 1.06 C ATOM 910 OG SER A 590 -15.272 -0.417 11.370 1.00 1.13 O ATOM 0 H SER A 590 -13.498 0.526 8.489 1.00 0.63 H new ATOM 0 HA SER A 590 -13.182 -1.585 10.547 1.00 0.87 H new ATOM 0 HB2 SER A 590 -15.545 -0.153 9.360 1.00 1.06 H new ATOM 0 HB3 SER A 590 -15.726 -1.799 9.932 1.00 1.06 H new ATOM 0 HG SER A 590 -14.970 0.514 11.416 1.00 1.13 H new ATOM 916 N VAL A 591 -13.166 -3.324 8.756 1.00 1.22 N ATOM 917 CA VAL A 591 -12.346 -4.103 7.850 1.00 1.02 C ATOM 918 C VAL A 591 -12.739 -5.555 8.048 1.00 0.86 C ATOM 919 O VAL A 591 -13.113 -5.946 9.155 1.00 0.89 O ATOM 920 CB VAL A 591 -10.876 -3.818 8.225 1.00 1.31 C ATOM 921 CG1 VAL A 591 -10.629 -3.945 9.713 1.00 2.52 C ATOM 922 CG2 VAL A 591 -9.887 -4.830 7.751 1.00 1.10 C ATOM 0 H VAL A 591 -13.311 -3.788 9.653 1.00 1.22 H new ATOM 0 HA VAL A 591 -12.480 -3.855 6.797 1.00 1.02 H new ATOM 0 HB VAL A 591 -10.744 -2.830 7.784 1.00 1.31 H new ATOM 0 HG11 VAL A 591 -9.581 -3.735 9.927 1.00 2.52 H new ATOM 0 HG12 VAL A 591 -11.258 -3.234 10.248 1.00 2.52 H new ATOM 0 HG13 VAL A 591 -10.870 -4.958 10.037 1.00 2.52 H new ATOM 0 HG21 VAL A 591 -8.886 -4.536 8.067 1.00 1.10 H new ATOM 0 HG22 VAL A 591 -10.130 -5.804 8.176 1.00 1.10 H new ATOM 0 HG23 VAL A 591 -9.921 -4.891 6.663 1.00 1.10 H new ATOM 932 N LEU A 592 -12.606 -6.373 7.015 1.00 0.90 N ATOM 933 CA LEU A 592 -12.701 -7.812 7.181 1.00 1.15 C ATOM 934 C LEU A 592 -11.374 -8.437 6.776 1.00 1.35 C ATOM 935 O LEU A 592 -10.889 -8.154 5.678 1.00 1.37 O ATOM 936 CB LEU A 592 -13.831 -8.408 6.302 1.00 1.43 C ATOM 937 CG LEU A 592 -15.285 -7.913 6.439 1.00 1.67 C ATOM 938 CD1 LEU A 592 -15.754 -7.931 7.884 1.00 1.70 C ATOM 939 CD2 LEU A 592 -15.559 -6.522 5.864 1.00 2.00 C ATOM 0 H LEU A 592 -12.433 -6.065 6.058 1.00 0.90 H new ATOM 0 HA LEU A 592 -12.931 -8.028 8.224 1.00 1.15 H new ATOM 0 HB2 LEU A 592 -13.539 -8.260 5.262 1.00 1.43 H new ATOM 0 HB3 LEU A 592 -13.841 -9.483 6.480 1.00 1.43 H new ATOM 0 HG LEU A 592 -15.848 -8.626 5.837 1.00 1.67 H new ATOM 0 HD11 LEU A 592 -16.783 -7.575 7.937 1.00 1.70 H new ATOM 0 HD12 LEU A 592 -15.702 -8.949 8.271 1.00 1.70 H new ATOM 0 HD13 LEU A 592 -15.114 -7.282 8.482 1.00 1.70 H new ATOM 0 HD21 LEU A 592 -16.609 -6.268 6.011 1.00 2.00 H new ATOM 0 HD22 LEU A 592 -14.934 -5.788 6.373 1.00 2.00 H new ATOM 0 HD23 LEU A 592 -15.330 -6.517 4.798 1.00 2.00 H new ATOM 951 N THR A 593 -10.812 -9.333 7.593 1.00 1.66 N ATOM 952 CA THR A 593 -9.773 -10.247 7.072 1.00 1.97 C ATOM 953 C THR A 593 -10.344 -11.621 6.726 1.00 2.20 C ATOM 954 O THR A 593 -10.972 -12.275 7.561 1.00 2.33 O ATOM 955 CB THR A 593 -8.524 -10.322 7.963 1.00 2.17 C ATOM 956 OG1 THR A 593 -8.813 -10.078 9.321 1.00 2.10 O ATOM 957 CG2 THR A 593 -7.517 -9.266 7.511 1.00 2.22 C ATOM 0 H THR A 593 -11.042 -9.450 8.580 1.00 1.66 H new ATOM 0 HA THR A 593 -9.424 -9.810 6.137 1.00 1.97 H new ATOM 0 HB THR A 593 -8.127 -11.332 7.866 1.00 2.17 H new ATOM 0 HG1 THR A 593 -7.988 -10.138 9.847 1.00 2.10 H new ATOM 0 HG21 THR A 593 -6.629 -9.316 8.141 1.00 2.22 H new ATOM 0 HG22 THR A 593 -7.237 -9.451 6.474 1.00 2.22 H new ATOM 0 HG23 THR A 593 -7.966 -8.276 7.595 1.00 2.22 H new ATOM 965 N LYS A 594 -10.132 -12.072 5.482 1.00 2.35 N ATOM 966 CA LYS A 594 -10.496 -13.418 5.013 1.00 2.67 C ATOM 967 C LYS A 594 -9.736 -14.500 5.785 1.00 3.35 C ATOM 968 O LYS A 594 -8.538 -14.363 6.045 1.00 4.40 O ATOM 969 CB LYS A 594 -10.390 -13.549 3.479 1.00 2.67 C ATOM 970 CG LYS A 594 -8.981 -13.718 2.887 1.00 3.07 C ATOM 971 CD LYS A 594 -8.059 -12.509 3.101 1.00 3.13 C ATOM 972 CE LYS A 594 -6.683 -12.711 2.466 1.00 3.75 C ATOM 973 NZ LYS A 594 -6.705 -12.621 0.990 1.00 4.50 N ATOM 0 H LYS A 594 -9.694 -11.501 4.759 1.00 2.35 H new ATOM 0 HA LYS A 594 -11.551 -13.578 5.235 1.00 2.67 H new ATOM 0 HB2 LYS A 594 -10.992 -14.404 3.170 1.00 2.67 H new ATOM 0 HB3 LYS A 594 -10.841 -12.663 3.032 1.00 2.67 H new ATOM 0 HG2 LYS A 594 -8.516 -14.598 3.331 1.00 3.07 H new ATOM 0 HG3 LYS A 594 -9.069 -13.909 1.817 1.00 3.07 H new ATOM 0 HD2 LYS A 594 -8.525 -11.619 2.678 1.00 3.13 H new ATOM 0 HD3 LYS A 594 -7.941 -12.329 4.170 1.00 3.13 H new ATOM 0 HE2 LYS A 594 -5.995 -11.963 2.859 1.00 3.75 H new ATOM 0 HE3 LYS A 594 -6.294 -13.686 2.759 1.00 3.75 H new ATOM 0 HZ1 LYS A 594 -5.760 -12.360 0.644 1.00 4.50 H new ATOM 0 HZ2 LYS A 594 -6.978 -13.541 0.590 1.00 4.50 H new ATOM 0 HZ3 LYS A 594 -7.393 -11.898 0.696 1.00 4.50 H new ATOM 987 N GLY A 595 -10.455 -15.536 6.210 1.00 3.30 N ATOM 988 CA GLY A 595 -10.006 -16.457 7.264 1.00 3.80 C ATOM 989 C GLY A 595 -10.518 -16.107 8.644 1.00 3.63 C ATOM 990 O GLY A 595 -10.712 -16.977 9.488 1.00 3.88 O ATOM 0 H GLY A 595 -11.374 -15.766 5.833 1.00 3.30 H new ATOM 0 HA2 GLY A 595 -10.330 -17.467 7.012 1.00 3.80 H new ATOM 0 HA3 GLY A 595 -8.916 -16.467 7.284 1.00 3.80 H new ATOM 994 N ASN A 596 -10.698 -14.814 8.881 1.00 3.21 N ATOM 995 CA ASN A 596 -10.665 -14.227 10.203 1.00 2.95 C ATOM 996 C ASN A 596 -11.959 -13.436 10.446 1.00 2.60 C ATOM 997 O ASN A 596 -13.033 -13.857 10.003 1.00 2.83 O ATOM 998 CB ASN A 596 -9.395 -13.367 10.304 1.00 2.82 C ATOM 999 CG ASN A 596 -8.077 -14.027 9.931 1.00 3.24 C ATOM 1000 OD1 ASN A 596 -7.913 -15.236 9.995 1.00 3.69 O ATOM 1001 ND2 ASN A 596 -7.044 -13.258 9.703 1.00 3.25 N ATOM 0 H ASN A 596 -10.874 -14.135 8.141 1.00 3.21 H new ATOM 0 HA ASN A 596 -10.621 -14.985 10.985 1.00 2.95 H new ATOM 0 HB2 ASN A 596 -9.527 -12.493 9.666 1.00 2.82 H new ATOM 0 HB3 ASN A 596 -9.313 -13.005 11.329 1.00 2.82 H new ATOM 0 HD21 ASN A 596 -6.119 -13.670 9.582 1.00 3.25 H new ATOM 0 HD22 ASN A 596 -7.164 -12.247 9.647 1.00 3.25 H new ATOM 1008 N LYS A 597 -11.881 -12.351 11.223 1.00 2.22 N ATOM 1009 CA LYS A 597 -13.019 -11.602 11.744 1.00 2.01 C ATOM 1010 C LYS A 597 -13.255 -10.251 11.072 1.00 1.62 C ATOM 1011 O LYS A 597 -12.395 -9.722 10.366 1.00 1.50 O ATOM 1012 CB LYS A 597 -12.915 -11.505 13.284 1.00 2.09 C ATOM 1013 CG LYS A 597 -12.970 -12.833 14.077 1.00 2.54 C ATOM 1014 CD LYS A 597 -11.816 -13.848 13.911 1.00 2.63 C ATOM 1015 CE LYS A 597 -10.410 -13.230 13.928 1.00 2.96 C ATOM 1016 NZ LYS A 597 -10.018 -12.808 15.293 1.00 3.59 N ATOM 0 H LYS A 597 -10.986 -11.959 11.515 1.00 2.22 H new ATOM 0 HA LYS A 597 -13.917 -12.164 11.487 1.00 2.01 H new ATOM 0 HB2 LYS A 597 -11.979 -11.002 13.529 1.00 2.09 H new ATOM 0 HB3 LYS A 597 -13.723 -10.865 13.638 1.00 2.09 H new ATOM 0 HG2 LYS A 597 -13.039 -12.583 15.136 1.00 2.54 H new ATOM 0 HG3 LYS A 597 -13.897 -13.340 13.808 1.00 2.54 H new ATOM 0 HD2 LYS A 597 -11.883 -14.587 14.709 1.00 2.63 H new ATOM 0 HD3 LYS A 597 -11.952 -14.382 12.970 1.00 2.63 H new ATOM 0 HE2 LYS A 597 -9.689 -13.954 13.549 1.00 2.96 H new ATOM 0 HE3 LYS A 597 -10.381 -12.371 13.258 1.00 2.96 H new ATOM 0 HZ1 LYS A 597 -9.064 -12.395 15.268 1.00 3.59 H new ATOM 0 HZ2 LYS A 597 -10.693 -12.099 15.644 1.00 3.59 H new ATOM 0 HZ3 LYS A 597 -10.022 -13.633 15.926 1.00 3.59 H new ATOM 1030 N GLU A 598 -14.425 -9.677 11.363 1.00 1.74 N ATOM 1031 CA GLU A 598 -14.599 -8.232 11.249 1.00 1.57 C ATOM 1032 C GLU A 598 -13.800 -7.515 12.343 1.00 1.43 C ATOM 1033 O GLU A 598 -13.819 -7.880 13.521 1.00 1.57 O ATOM 1034 CB GLU A 598 -16.075 -7.802 11.215 1.00 2.06 C ATOM 1035 CG GLU A 598 -16.836 -7.967 12.538 1.00 2.33 C ATOM 1036 CD GLU A 598 -17.114 -6.666 13.310 1.00 2.21 C ATOM 1037 OE1 GLU A 598 -17.461 -5.624 12.695 1.00 2.73 O ATOM 1038 OE2 GLU A 598 -17.049 -6.709 14.564 1.00 3.10 O ATOM 0 H GLU A 598 -15.253 -10.184 11.675 1.00 1.74 H new ATOM 0 HA GLU A 598 -14.198 -7.928 10.282 1.00 1.57 H new ATOM 0 HB2 GLU A 598 -16.125 -6.756 10.914 1.00 2.06 H new ATOM 0 HB3 GLU A 598 -16.587 -8.380 10.446 1.00 2.06 H new ATOM 0 HG2 GLU A 598 -17.788 -8.456 12.331 1.00 2.33 H new ATOM 0 HG3 GLU A 598 -16.267 -8.637 13.183 1.00 2.33 H new ATOM 1045 N MET A 599 -13.050 -6.520 11.906 1.00 1.28 N ATOM 1046 CA MET A 599 -11.926 -5.909 12.584 1.00 1.28 C ATOM 1047 C MET A 599 -11.933 -4.388 12.381 1.00 1.30 C ATOM 1048 O MET A 599 -12.789 -3.851 11.668 1.00 1.70 O ATOM 1049 CB MET A 599 -10.715 -6.714 12.098 1.00 1.49 C ATOM 1050 CG MET A 599 -9.333 -6.212 12.500 1.00 1.65 C ATOM 1051 SD MET A 599 -7.994 -7.268 11.904 1.00 1.82 S ATOM 1052 CE MET A 599 -8.255 -7.016 10.132 1.00 1.87 C ATOM 0 H MET A 599 -13.226 -6.087 10.999 1.00 1.28 H new ATOM 0 HA MET A 599 -11.937 -5.961 13.673 1.00 1.28 H new ATOM 0 HB2 MET A 599 -10.821 -7.736 12.462 1.00 1.49 H new ATOM 0 HB3 MET A 599 -10.754 -6.758 11.010 1.00 1.49 H new ATOM 0 HG2 MET A 599 -9.192 -5.203 12.112 1.00 1.65 H new ATOM 0 HG3 MET A 599 -9.279 -6.146 13.587 1.00 1.65 H new ATOM 0 HE1 MET A 599 -7.359 -7.312 9.586 1.00 1.87 H new ATOM 0 HE2 MET A 599 -9.099 -7.620 9.799 1.00 1.87 H new ATOM 0 HE3 MET A 599 -8.464 -5.963 9.941 1.00 1.87 H new ATOM 1062 N LYS A 600 -11.003 -3.690 13.032 1.00 1.14 N ATOM 1063 CA LYS A 600 -10.508 -2.351 12.768 1.00 1.04 C ATOM 1064 C LYS A 600 -9.011 -2.259 12.433 1.00 1.05 C ATOM 1065 O LYS A 600 -8.212 -3.057 12.929 1.00 1.29 O ATOM 1066 CB LYS A 600 -10.769 -1.528 14.051 1.00 1.12 C ATOM 1067 CG LYS A 600 -11.747 -0.378 13.925 1.00 1.02 C ATOM 1068 CD LYS A 600 -13.162 -0.773 13.524 1.00 1.04 C ATOM 1069 CE LYS A 600 -13.881 -1.677 14.529 1.00 1.35 C ATOM 1070 NZ LYS A 600 -15.291 -1.856 14.124 1.00 2.19 N ATOM 0 H LYS A 600 -10.533 -4.097 13.841 1.00 1.14 H new ATOM 0 HA LYS A 600 -11.026 -1.982 11.883 1.00 1.04 H new ATOM 0 HB2 LYS A 600 -11.135 -2.205 14.823 1.00 1.12 H new ATOM 0 HB3 LYS A 600 -9.817 -1.130 14.402 1.00 1.12 H new ATOM 0 HG2 LYS A 600 -11.790 0.148 14.879 1.00 1.02 H new ATOM 0 HG3 LYS A 600 -11.361 0.327 13.189 1.00 1.02 H new ATOM 0 HD2 LYS A 600 -13.752 0.133 13.383 1.00 1.04 H new ATOM 0 HD3 LYS A 600 -13.124 -1.281 12.561 1.00 1.04 H new ATOM 0 HE2 LYS A 600 -13.383 -2.645 14.582 1.00 1.35 H new ATOM 0 HE3 LYS A 600 -13.832 -1.238 15.526 1.00 1.35 H new ATOM 0 HZ1 LYS A 600 -15.914 -1.412 14.829 1.00 2.19 H new ATOM 0 HZ2 LYS A 600 -15.445 -1.411 13.197 1.00 2.19 H new ATOM 0 HZ3 LYS A 600 -15.508 -2.871 14.061 1.00 2.19 H new ATOM 1084 N LEU A 601 -8.648 -1.218 11.673 1.00 0.83 N ATOM 1085 CA LEU A 601 -7.270 -0.756 11.408 1.00 0.82 C ATOM 1086 C LEU A 601 -7.180 0.783 11.563 1.00 0.79 C ATOM 1087 O LEU A 601 -8.144 1.489 11.268 1.00 0.71 O ATOM 1088 CB LEU A 601 -6.834 -1.185 9.983 1.00 0.80 C ATOM 1089 CG LEU A 601 -5.683 -2.197 9.872 1.00 0.82 C ATOM 1090 CD1 LEU A 601 -6.085 -3.558 10.424 1.00 0.88 C ATOM 1091 CD2 LEU A 601 -5.334 -2.393 8.394 1.00 0.87 C ATOM 0 H LEU A 601 -9.342 -0.641 11.198 1.00 0.83 H new ATOM 0 HA LEU A 601 -6.597 -1.214 12.133 1.00 0.82 H new ATOM 0 HB2 LEU A 601 -7.703 -1.606 9.477 1.00 0.80 H new ATOM 0 HB3 LEU A 601 -6.548 -0.288 9.433 1.00 0.80 H new ATOM 0 HG LEU A 601 -4.840 -1.807 10.442 1.00 0.82 H new ATOM 0 HD11 LEU A 601 -5.248 -4.250 10.330 1.00 0.88 H new ATOM 0 HD12 LEU A 601 -6.358 -3.458 11.475 1.00 0.88 H new ATOM 0 HD13 LEU A 601 -6.937 -3.941 9.863 1.00 0.88 H new ATOM 0 HD21 LEU A 601 -4.518 -3.110 8.305 1.00 0.87 H new ATOM 0 HD22 LEU A 601 -6.207 -2.769 7.861 1.00 0.87 H new ATOM 0 HD23 LEU A 601 -5.028 -1.440 7.963 1.00 0.87 H new ATOM 1103 N SER A 602 -6.016 1.315 11.954 1.00 0.89 N ATOM 1104 CA SER A 602 -5.770 2.759 12.186 1.00 0.91 C ATOM 1105 C SER A 602 -4.656 3.350 11.306 1.00 0.89 C ATOM 1106 O SER A 602 -3.971 2.630 10.572 1.00 0.91 O ATOM 1107 CB SER A 602 -5.494 3.027 13.677 1.00 1.01 C ATOM 1108 OG SER A 602 -4.328 2.359 14.127 1.00 1.66 O ATOM 0 H SER A 602 -5.189 0.743 12.125 1.00 0.89 H new ATOM 0 HA SER A 602 -6.684 3.273 11.889 1.00 0.91 H new ATOM 0 HB2 SER A 602 -5.383 4.099 13.839 1.00 1.01 H new ATOM 0 HB3 SER A 602 -6.350 2.702 14.269 1.00 1.01 H new ATOM 0 HG SER A 602 -4.185 2.554 15.077 1.00 1.66 H new ATOM 1114 N ASP A 603 -4.481 4.676 11.348 1.00 0.93 N ATOM 1115 CA ASP A 603 -3.446 5.394 10.589 1.00 0.97 C ATOM 1116 C ASP A 603 -2.027 4.842 10.822 1.00 1.01 C ATOM 1117 O ASP A 603 -1.652 4.518 11.950 1.00 1.10 O ATOM 1118 CB ASP A 603 -3.528 6.905 10.846 1.00 1.10 C ATOM 1119 CG ASP A 603 -3.155 7.344 12.267 1.00 1.28 C ATOM 1120 OD1 ASP A 603 -4.036 7.292 13.162 1.00 2.15 O ATOM 1121 OD2 ASP A 603 -2.011 7.817 12.476 1.00 1.42 O ATOM 0 H ASP A 603 -5.062 5.291 11.918 1.00 0.93 H new ATOM 0 HA ASP A 603 -3.653 5.220 9.533 1.00 0.97 H new ATOM 0 HB2 ASP A 603 -2.871 7.414 10.141 1.00 1.10 H new ATOM 0 HB3 ASP A 603 -4.544 7.239 10.634 1.00 1.10 H new ATOM 1126 N GLY A 604 -1.250 4.717 9.740 1.00 1.01 N ATOM 1127 CA GLY A 604 0.027 3.993 9.719 1.00 1.10 C ATOM 1128 C GLY A 604 -0.047 2.540 9.229 1.00 0.99 C ATOM 1129 O GLY A 604 0.988 1.899 9.036 1.00 1.12 O ATOM 0 H GLY A 604 -1.495 5.124 8.837 1.00 1.01 H new ATOM 0 HA2 GLY A 604 0.724 4.538 9.082 1.00 1.10 H new ATOM 0 HA3 GLY A 604 0.445 3.998 10.726 1.00 1.10 H new ATOM 1133 N SER A 605 -1.254 2.019 8.997 1.00 0.85 N ATOM 1134 CA SER A 605 -1.508 0.691 8.416 1.00 0.79 C ATOM 1135 C SER A 605 -1.595 0.730 6.880 1.00 0.76 C ATOM 1136 O SER A 605 -1.752 1.802 6.290 1.00 0.75 O ATOM 1137 CB SER A 605 -2.820 0.132 8.970 1.00 0.73 C ATOM 1138 OG SER A 605 -2.861 0.177 10.387 1.00 0.80 O ATOM 0 H SER A 605 -2.113 2.524 9.214 1.00 0.85 H new ATOM 0 HA SER A 605 -0.667 0.053 8.689 1.00 0.79 H new ATOM 0 HB2 SER A 605 -3.656 0.702 8.565 1.00 0.73 H new ATOM 0 HB3 SER A 605 -2.945 -0.898 8.636 1.00 0.73 H new ATOM 0 HG SER A 605 -3.389 0.951 10.675 1.00 0.80 H new ATOM 1144 N TYR A 606 -1.565 -0.430 6.218 1.00 0.79 N ATOM 1145 CA TYR A 606 -1.778 -0.556 4.769 1.00 0.86 C ATOM 1146 C TYR A 606 -2.538 -1.826 4.359 1.00 0.86 C ATOM 1147 O TYR A 606 -2.688 -2.771 5.141 1.00 0.98 O ATOM 1148 CB TYR A 606 -0.443 -0.452 4.017 1.00 1.12 C ATOM 1149 CG TYR A 606 0.427 -1.693 4.056 1.00 1.27 C ATOM 1150 CD1 TYR A 606 1.256 -1.915 5.165 1.00 1.68 C ATOM 1151 CD2 TYR A 606 0.406 -2.619 2.994 1.00 2.86 C ATOM 1152 CE1 TYR A 606 2.069 -3.064 5.221 1.00 2.12 C ATOM 1153 CE2 TYR A 606 1.216 -3.771 3.047 1.00 3.55 C ATOM 1154 CZ TYR A 606 2.051 -3.997 4.164 1.00 2.77 C ATOM 1155 OH TYR A 606 2.808 -5.121 4.248 1.00 3.63 O ATOM 0 H TYR A 606 -1.390 -1.323 6.679 1.00 0.79 H new ATOM 0 HA TYR A 606 -2.421 0.277 4.485 1.00 0.86 H new ATOM 0 HB2 TYR A 606 -0.651 -0.208 2.975 1.00 1.12 H new ATOM 0 HB3 TYR A 606 0.124 0.381 4.432 1.00 1.12 H new ATOM 0 HD1 TYR A 606 1.271 -1.204 5.978 1.00 1.68 H new ATOM 0 HD2 TYR A 606 -0.231 -2.446 2.139 1.00 2.86 H new ATOM 0 HE1 TYR A 606 2.708 -3.231 6.076 1.00 2.12 H new ATOM 0 HE2 TYR A 606 1.198 -4.481 2.234 1.00 3.55 H new ATOM 0 HH TYR A 606 2.683 -5.661 3.440 1.00 3.63 H new ATOM 1165 N PHE A 607 -3.016 -1.837 3.114 1.00 0.79 N ATOM 1166 CA PHE A 607 -3.788 -2.937 2.515 1.00 0.85 C ATOM 1167 C PHE A 607 -3.655 -2.987 0.975 1.00 1.16 C ATOM 1168 O PHE A 607 -2.935 -2.200 0.359 1.00 1.51 O ATOM 1169 CB PHE A 607 -5.253 -2.850 3.005 1.00 1.17 C ATOM 1170 CG PHE A 607 -5.817 -1.451 3.193 1.00 0.78 C ATOM 1171 CD1 PHE A 607 -5.600 -0.459 2.222 1.00 1.94 C ATOM 1172 CD2 PHE A 607 -6.534 -1.134 4.362 1.00 1.90 C ATOM 1173 CE1 PHE A 607 -6.059 0.851 2.432 1.00 2.27 C ATOM 1174 CE2 PHE A 607 -7.007 0.174 4.559 1.00 1.69 C ATOM 1175 CZ PHE A 607 -6.745 1.173 3.610 1.00 1.12 C ATOM 0 H PHE A 607 -2.874 -1.058 2.471 1.00 0.79 H new ATOM 0 HA PHE A 607 -3.374 -3.888 2.850 1.00 0.85 H new ATOM 0 HB2 PHE A 607 -5.884 -3.381 2.292 1.00 1.17 H new ATOM 0 HB3 PHE A 607 -5.329 -3.380 3.954 1.00 1.17 H new ATOM 0 HD1 PHE A 607 -5.077 -0.705 1.310 1.00 1.94 H new ATOM 0 HD2 PHE A 607 -6.720 -1.895 5.106 1.00 1.90 H new ATOM 0 HE1 PHE A 607 -5.883 1.611 1.685 1.00 2.27 H new ATOM 0 HE2 PHE A 607 -7.575 0.412 5.446 1.00 1.69 H new ATOM 0 HZ PHE A 607 -7.071 2.187 3.787 1.00 1.12 H new ATOM 1185 N GLY A 608 -4.342 -3.946 0.350 1.00 1.34 N ATOM 1186 CA GLY A 608 -4.114 -4.385 -1.032 1.00 1.71 C ATOM 1187 C GLY A 608 -3.205 -5.618 -1.101 1.00 1.89 C ATOM 1188 O GLY A 608 -2.132 -5.559 -1.699 1.00 3.05 O ATOM 0 H GLY A 608 -5.098 -4.457 0.806 1.00 1.34 H new ATOM 0 HA2 GLY A 608 -5.070 -4.613 -1.502 1.00 1.71 H new ATOM 0 HA3 GLY A 608 -3.665 -3.571 -1.601 1.00 1.71 H new ATOM 1192 N GLU A 609 -3.626 -6.725 -0.476 1.00 1.91 N ATOM 1193 CA GLU A 609 -2.778 -7.897 -0.197 1.00 2.35 C ATOM 1194 C GLU A 609 -1.997 -8.450 -1.406 1.00 2.01 C ATOM 1195 O GLU A 609 -2.580 -8.852 -2.416 1.00 3.13 O ATOM 1196 CB GLU A 609 -3.596 -9.019 0.470 1.00 3.81 C ATOM 1197 CG GLU A 609 -2.673 -10.142 0.976 1.00 4.71 C ATOM 1198 CD GLU A 609 -3.449 -11.259 1.671 1.00 5.56 C ATOM 1199 OE1 GLU A 609 -4.027 -12.116 0.965 1.00 5.70 O ATOM 1200 OE2 GLU A 609 -3.485 -11.290 2.925 1.00 6.56 O ATOM 0 H GLU A 609 -4.584 -6.836 -0.143 1.00 1.91 H new ATOM 0 HA GLU A 609 -2.016 -7.527 0.489 1.00 2.35 H new ATOM 0 HB2 GLU A 609 -4.170 -8.611 1.302 1.00 3.81 H new ATOM 0 HB3 GLU A 609 -4.313 -9.425 -0.243 1.00 3.81 H new ATOM 0 HG2 GLU A 609 -2.116 -10.557 0.136 1.00 4.71 H new ATOM 0 HG3 GLU A 609 -1.942 -9.725 1.669 1.00 4.71 H new ATOM 1207 N ILE A 610 -0.675 -8.508 -1.212 1.00 2.00 N ATOM 1208 CA ILE A 610 0.393 -9.169 -1.976 1.00 2.31 C ATOM 1209 C ILE A 610 0.225 -9.136 -3.507 1.00 2.34 C ATOM 1210 O ILE A 610 -0.425 -9.991 -4.120 1.00 3.72 O ATOM 1211 CB ILE A 610 0.687 -10.587 -1.425 1.00 3.42 C ATOM 1212 CG1 ILE A 610 0.974 -10.601 0.094 1.00 4.49 C ATOM 1213 CG2 ILE A 610 1.892 -11.194 -2.175 1.00 3.89 C ATOM 1214 CD1 ILE A 610 0.874 -11.995 0.730 1.00 5.80 C ATOM 0 H ILE A 610 -0.274 -8.027 -0.406 1.00 2.00 H new ATOM 0 HA ILE A 610 1.281 -8.558 -1.813 1.00 2.31 H new ATOM 0 HB ILE A 610 -0.212 -11.181 -1.588 1.00 3.42 H new ATOM 0 HG12 ILE A 610 1.973 -10.203 0.269 1.00 4.49 H new ATOM 0 HG13 ILE A 610 0.272 -9.933 0.593 1.00 4.49 H new ATOM 0 HG21 ILE A 610 2.098 -12.191 -1.786 1.00 3.89 H new ATOM 0 HG22 ILE A 610 1.663 -11.259 -3.239 1.00 3.89 H new ATOM 0 HG23 ILE A 610 2.767 -10.561 -2.030 1.00 3.89 H new ATOM 0 HD11 ILE A 610 1.088 -11.925 1.796 1.00 5.80 H new ATOM 0 HD12 ILE A 610 -0.132 -12.389 0.587 1.00 5.80 H new ATOM 0 HD13 ILE A 610 1.595 -12.663 0.258 1.00 5.80 H new ATOM 1226 N CYS A 611 0.943 -8.200 -4.130 1.00 1.91 N ATOM 1227 CA CYS A 611 1.264 -8.195 -5.560 1.00 2.46 C ATOM 1228 C CYS A 611 2.776 -8.080 -5.812 1.00 1.80 C ATOM 1229 O CYS A 611 3.501 -9.011 -5.474 1.00 2.41 O ATOM 1230 CB CYS A 611 0.382 -7.180 -6.294 1.00 3.90 C ATOM 1231 SG CYS A 611 0.351 -5.552 -5.484 1.00 5.09 S ATOM 0 H CYS A 611 1.331 -7.396 -3.636 1.00 1.91 H new ATOM 0 HA CYS A 611 1.015 -9.162 -5.998 1.00 2.46 H new ATOM 0 HB2 CYS A 611 0.743 -7.065 -7.316 1.00 3.90 H new ATOM 0 HB3 CYS A 611 -0.635 -7.568 -6.357 1.00 3.90 H new ATOM 0 HG CYS A 611 -0.347 -4.723 -6.202 1.00 5.09 H new ATOM 1237 N LEU A 612 3.242 -6.979 -6.417 1.00 1.89 N ATOM 1238 CA LEU A 612 4.611 -6.675 -6.880 1.00 1.58 C ATOM 1239 C LEU A 612 5.308 -7.805 -7.668 1.00 1.75 C ATOM 1240 O LEU A 612 5.445 -7.699 -8.887 1.00 2.04 O ATOM 1241 CB LEU A 612 5.498 -6.195 -5.706 1.00 1.77 C ATOM 1242 CG LEU A 612 5.178 -4.779 -5.210 1.00 1.55 C ATOM 1243 CD1 LEU A 612 5.829 -4.521 -3.857 1.00 2.17 C ATOM 1244 CD2 LEU A 612 5.681 -3.693 -6.167 1.00 1.15 C ATOM 0 H LEU A 612 2.612 -6.201 -6.616 1.00 1.89 H new ATOM 0 HA LEU A 612 4.486 -5.868 -7.602 1.00 1.58 H new ATOM 0 HB2 LEU A 612 5.388 -6.892 -4.875 1.00 1.77 H new ATOM 0 HB3 LEU A 612 6.542 -6.231 -6.017 1.00 1.77 H new ATOM 0 HG LEU A 612 4.091 -4.728 -5.143 1.00 1.55 H new ATOM 0 HD11 LEU A 612 5.589 -3.511 -3.524 1.00 2.17 H new ATOM 0 HD12 LEU A 612 5.454 -5.241 -3.130 1.00 2.17 H new ATOM 0 HD13 LEU A 612 6.910 -4.626 -3.948 1.00 2.17 H new ATOM 0 HD21 LEU A 612 5.428 -2.711 -5.768 1.00 1.15 H new ATOM 0 HD22 LEU A 612 6.763 -3.774 -6.273 1.00 1.15 H new ATOM 0 HD23 LEU A 612 5.210 -3.821 -7.142 1.00 1.15 H new ATOM 1256 N LEU A 613 5.766 -8.850 -6.968 1.00 1.75 N ATOM 1257 CA LEU A 613 6.518 -10.002 -7.477 1.00 1.97 C ATOM 1258 C LEU A 613 5.649 -11.218 -7.841 1.00 1.98 C ATOM 1259 O LEU A 613 6.135 -12.130 -8.520 1.00 2.33 O ATOM 1260 CB LEU A 613 7.674 -10.343 -6.506 1.00 2.28 C ATOM 1261 CG LEU A 613 7.396 -11.072 -5.172 1.00 2.93 C ATOM 1262 CD1 LEU A 613 6.330 -10.403 -4.310 1.00 2.86 C ATOM 1263 CD2 LEU A 613 7.041 -12.556 -5.311 1.00 4.30 C ATOM 0 H LEU A 613 5.610 -8.917 -5.962 1.00 1.75 H new ATOM 0 HA LEU A 613 6.947 -9.709 -8.435 1.00 1.97 H new ATOM 0 HB2 LEU A 613 8.389 -10.951 -7.060 1.00 2.28 H new ATOM 0 HB3 LEU A 613 8.174 -9.406 -6.261 1.00 2.28 H new ATOM 0 HG LEU A 613 8.362 -10.997 -4.672 1.00 2.93 H new ATOM 0 HD11 LEU A 613 6.193 -10.975 -3.392 1.00 2.86 H new ATOM 0 HD12 LEU A 613 6.645 -9.389 -4.063 1.00 2.86 H new ATOM 0 HD13 LEU A 613 5.389 -10.366 -4.858 1.00 2.86 H new ATOM 0 HD21 LEU A 613 6.863 -12.982 -4.323 1.00 4.30 H new ATOM 0 HD22 LEU A 613 6.142 -12.660 -5.918 1.00 4.30 H new ATOM 0 HD23 LEU A 613 7.865 -13.084 -5.791 1.00 4.30 H new ATOM 1275 N THR A 614 4.377 -11.243 -7.419 1.00 1.80 N ATOM 1276 CA THR A 614 3.375 -12.214 -7.902 1.00 1.99 C ATOM 1277 C THR A 614 2.396 -11.544 -8.860 1.00 1.89 C ATOM 1278 O THR A 614 2.250 -10.319 -8.844 1.00 1.87 O ATOM 1279 CB THR A 614 2.664 -12.943 -6.751 1.00 2.43 C ATOM 1280 OG1 THR A 614 2.041 -14.116 -7.229 1.00 3.49 O ATOM 1281 CG2 THR A 614 1.606 -12.122 -6.020 1.00 2.66 C ATOM 0 H THR A 614 4.009 -10.588 -6.729 1.00 1.80 H new ATOM 0 HA THR A 614 3.904 -12.988 -8.458 1.00 1.99 H new ATOM 0 HB THR A 614 3.456 -13.157 -6.034 1.00 2.43 H new ATOM 0 HG1 THR A 614 1.593 -14.574 -6.487 1.00 3.49 H new ATOM 0 HG21 THR A 614 1.163 -12.724 -5.227 1.00 2.66 H new ATOM 0 HG22 THR A 614 2.069 -11.235 -5.587 1.00 2.66 H new ATOM 0 HG23 THR A 614 0.830 -11.820 -6.723 1.00 2.66 H new ATOM 1289 N ARG A 615 1.732 -12.333 -9.709 1.00 2.24 N ATOM 1290 CA ARG A 615 0.807 -11.847 -10.750 1.00 2.51 C ATOM 1291 C ARG A 615 -0.506 -12.625 -10.673 1.00 2.52 C ATOM 1292 O ARG A 615 -0.619 -13.722 -11.222 1.00 3.55 O ATOM 1293 CB ARG A 615 1.481 -11.956 -12.136 1.00 3.37 C ATOM 1294 CG ARG A 615 2.760 -11.106 -12.234 1.00 4.01 C ATOM 1295 CD ARG A 615 3.451 -11.247 -13.593 1.00 4.88 C ATOM 1296 NE ARG A 615 4.792 -10.641 -13.535 1.00 5.97 N ATOM 1297 CZ ARG A 615 5.908 -11.132 -14.038 1.00 6.65 C ATOM 1298 NH1 ARG A 615 5.958 -12.163 -14.830 1.00 6.59 N ATOM 1299 NH2 ARG A 615 7.052 -10.600 -13.740 1.00 7.95 N ATOM 0 H ARG A 615 1.821 -13.349 -9.696 1.00 2.24 H new ATOM 0 HA ARG A 615 0.571 -10.795 -10.587 1.00 2.51 H new ATOM 0 HB2 ARG A 615 1.725 -12.999 -12.338 1.00 3.37 H new ATOM 0 HB3 ARG A 615 0.777 -11.639 -12.905 1.00 3.37 H new ATOM 0 HG2 ARG A 615 2.511 -10.059 -12.063 1.00 4.01 H new ATOM 0 HG3 ARG A 615 3.451 -11.402 -11.445 1.00 4.01 H new ATOM 0 HD2 ARG A 615 3.529 -12.300 -13.864 1.00 4.88 H new ATOM 0 HD3 ARG A 615 2.856 -10.762 -14.366 1.00 4.88 H new ATOM 0 HE ARG A 615 4.866 -9.745 -13.054 1.00 5.97 H new ATOM 0 HH11 ARG A 615 5.099 -12.643 -15.097 1.00 6.59 H new ATOM 0 HH12 ARG A 615 6.857 -12.491 -15.184 1.00 6.59 H new ATOM 0 HH21 ARG A 615 7.093 -9.797 -13.113 1.00 7.95 H new ATOM 0 HH22 ARG A 615 7.911 -10.985 -14.133 1.00 7.95 H new ATOM 1313 N GLY A 616 -1.487 -12.045 -9.984 1.00 1.91 N ATOM 1314 CA GLY A 616 -2.741 -12.703 -9.626 1.00 1.86 C ATOM 1315 C GLY A 616 -3.614 -11.859 -8.690 1.00 1.61 C ATOM 1316 O GLY A 616 -3.099 -11.228 -7.764 1.00 1.87 O ATOM 0 H GLY A 616 -1.430 -11.082 -9.652 1.00 1.91 H new ATOM 0 HA2 GLY A 616 -3.301 -12.925 -10.535 1.00 1.86 H new ATOM 0 HA3 GLY A 616 -2.521 -13.657 -9.147 1.00 1.86 H new ATOM 1320 N ARG A 617 -4.936 -11.862 -8.910 1.00 1.64 N ATOM 1321 CA ARG A 617 -5.922 -11.155 -8.066 1.00 1.62 C ATOM 1322 C ARG A 617 -6.041 -11.831 -6.697 1.00 1.46 C ATOM 1323 O ARG A 617 -6.226 -13.051 -6.622 1.00 1.82 O ATOM 1324 CB ARG A 617 -7.267 -11.021 -8.806 1.00 2.27 C ATOM 1325 CG ARG A 617 -8.037 -12.342 -8.978 1.00 1.71 C ATOM 1326 CD ARG A 617 -8.979 -12.288 -10.182 1.00 1.52 C ATOM 1327 NE ARG A 617 -9.717 -13.559 -10.317 1.00 2.18 N ATOM 1328 CZ ARG A 617 -10.324 -14.032 -11.389 1.00 2.71 C ATOM 1329 NH1 ARG A 617 -10.488 -13.351 -12.484 1.00 3.07 N ATOM 1330 NH2 ARG A 617 -10.779 -15.246 -11.363 1.00 3.71 N ATOM 0 H ARG A 617 -5.362 -12.362 -9.690 1.00 1.64 H new ATOM 0 HA ARG A 617 -5.576 -10.139 -7.874 1.00 1.62 H new ATOM 0 HB2 ARG A 617 -7.897 -10.316 -8.263 1.00 2.27 H new ATOM 0 HB3 ARG A 617 -7.084 -10.591 -9.791 1.00 2.27 H new ATOM 0 HG2 ARG A 617 -7.331 -13.163 -9.104 1.00 1.71 H new ATOM 0 HG3 ARG A 617 -8.610 -12.551 -8.075 1.00 1.71 H new ATOM 0 HD2 ARG A 617 -9.682 -11.463 -10.065 1.00 1.52 H new ATOM 0 HD3 ARG A 617 -8.408 -12.094 -11.090 1.00 1.52 H new ATOM 0 HE ARG A 617 -9.763 -14.142 -9.481 1.00 2.18 H new ATOM 0 HH11 ARG A 617 -10.138 -12.395 -12.547 1.00 3.07 H new ATOM 0 HH12 ARG A 617 -10.966 -13.773 -13.280 1.00 3.07 H new ATOM 0 HH21 ARG A 617 -10.665 -15.816 -10.525 1.00 3.71 H new ATOM 0 HH22 ARG A 617 -11.251 -15.631 -12.181 1.00 3.71 H new ATOM 1344 N ARG A 618 -5.878 -11.061 -5.621 1.00 1.52 N ATOM 1345 CA ARG A 618 -5.811 -11.548 -4.232 1.00 1.86 C ATOM 1346 C ARG A 618 -6.682 -10.673 -3.328 1.00 2.20 C ATOM 1347 O ARG A 618 -6.336 -9.522 -3.063 1.00 3.33 O ATOM 1348 CB ARG A 618 -4.331 -11.654 -3.823 1.00 2.70 C ATOM 1349 CG ARG A 618 -4.119 -12.244 -2.420 1.00 3.07 C ATOM 1350 CD ARG A 618 -2.651 -12.646 -2.205 1.00 3.43 C ATOM 1351 NE ARG A 618 -2.334 -13.952 -2.830 1.00 4.34 N ATOM 1352 CZ ARG A 618 -1.135 -14.478 -3.032 1.00 5.32 C ATOM 1353 NH1 ARG A 618 -0.035 -13.825 -2.796 1.00 5.73 N ATOM 1354 NH2 ARG A 618 -1.026 -15.696 -3.471 1.00 6.38 N ATOM 0 H ARG A 618 -5.785 -10.047 -5.688 1.00 1.52 H new ATOM 0 HA ARG A 618 -6.228 -12.550 -4.128 1.00 1.86 H new ATOM 0 HB2 ARG A 618 -3.805 -12.272 -4.551 1.00 2.70 H new ATOM 0 HB3 ARG A 618 -3.880 -10.662 -3.862 1.00 2.70 H new ATOM 0 HG2 ARG A 618 -4.413 -11.513 -1.667 1.00 3.07 H new ATOM 0 HG3 ARG A 618 -4.761 -13.115 -2.287 1.00 3.07 H new ATOM 0 HD2 ARG A 618 -2.000 -11.877 -2.622 1.00 3.43 H new ATOM 0 HD3 ARG A 618 -2.442 -12.696 -1.136 1.00 3.43 H new ATOM 0 HE ARG A 618 -3.130 -14.509 -3.140 1.00 4.34 H new ATOM 0 HH11 ARG A 618 -0.075 -12.870 -2.441 1.00 5.73 H new ATOM 0 HH12 ARG A 618 0.868 -14.268 -2.966 1.00 5.73 H new ATOM 0 HH21 ARG A 618 -1.863 -16.247 -3.660 1.00 6.38 H new ATOM 0 HH22 ARG A 618 -0.103 -16.101 -3.627 1.00 6.38 H new ATOM 1368 N THR A 619 -7.827 -11.206 -2.900 1.00 1.81 N ATOM 1369 CA THR A 619 -8.994 -10.406 -2.484 1.00 1.84 C ATOM 1370 C THR A 619 -8.967 -9.997 -1.005 1.00 1.58 C ATOM 1371 O THR A 619 -8.411 -10.699 -0.159 1.00 1.57 O ATOM 1372 CB THR A 619 -10.303 -11.173 -2.772 1.00 2.12 C ATOM 1373 OG1 THR A 619 -10.281 -11.774 -4.049 1.00 3.14 O ATOM 1374 CG2 THR A 619 -11.553 -10.288 -2.753 1.00 3.14 C ATOM 0 H THR A 619 -7.978 -12.212 -2.829 1.00 1.81 H new ATOM 0 HA THR A 619 -8.948 -9.489 -3.072 1.00 1.84 H new ATOM 0 HB THR A 619 -10.357 -11.910 -1.970 1.00 2.12 H new ATOM 0 HG1 THR A 619 -11.123 -12.253 -4.200 1.00 3.14 H new ATOM 0 HG21 THR A 619 -12.433 -10.896 -2.963 1.00 3.14 H new ATOM 0 HG22 THR A 619 -11.657 -9.827 -1.771 1.00 3.14 H new ATOM 0 HG23 THR A 619 -11.460 -9.510 -3.511 1.00 3.14 H new ATOM 1382 N ALA A 620 -9.623 -8.874 -0.697 1.00 1.53 N ATOM 1383 CA ALA A 620 -10.034 -8.454 0.644 1.00 1.27 C ATOM 1384 C ALA A 620 -11.333 -7.613 0.580 1.00 1.21 C ATOM 1385 O ALA A 620 -11.762 -7.227 -0.514 1.00 1.59 O ATOM 1386 CB ALA A 620 -8.879 -7.670 1.286 1.00 1.64 C ATOM 0 H ALA A 620 -9.895 -8.200 -1.413 1.00 1.53 H new ATOM 0 HA ALA A 620 -10.255 -9.327 1.258 1.00 1.27 H new ATOM 0 HB1 ALA A 620 -9.169 -7.349 2.287 1.00 1.64 H new ATOM 0 HB2 ALA A 620 -7.998 -8.308 1.351 1.00 1.64 H new ATOM 0 HB3 ALA A 620 -8.650 -6.796 0.677 1.00 1.64 H new ATOM 1392 N SER A 621 -11.935 -7.290 1.732 1.00 1.03 N ATOM 1393 CA SER A 621 -13.084 -6.372 1.861 1.00 1.17 C ATOM 1394 C SER A 621 -12.896 -5.422 3.050 1.00 1.06 C ATOM 1395 O SER A 621 -12.592 -5.861 4.159 1.00 1.12 O ATOM 1396 CB SER A 621 -14.385 -7.164 2.022 1.00 1.39 C ATOM 1397 OG SER A 621 -15.479 -6.270 2.096 1.00 2.58 O ATOM 0 H SER A 621 -11.630 -7.669 2.629 1.00 1.03 H new ATOM 0 HA SER A 621 -13.143 -5.776 0.950 1.00 1.17 H new ATOM 0 HB2 SER A 621 -14.515 -7.844 1.180 1.00 1.39 H new ATOM 0 HB3 SER A 621 -14.341 -7.776 2.923 1.00 1.39 H new ATOM 0 HG SER A 621 -16.311 -6.778 2.197 1.00 2.58 H new ATOM 1403 N VAL A 622 -12.996 -4.105 2.829 1.00 0.92 N ATOM 1404 CA VAL A 622 -12.873 -3.087 3.894 1.00 0.81 C ATOM 1405 C VAL A 622 -13.599 -1.777 3.546 1.00 0.75 C ATOM 1406 O VAL A 622 -13.585 -1.343 2.389 1.00 0.75 O ATOM 1407 CB VAL A 622 -11.385 -2.881 4.270 1.00 0.83 C ATOM 1408 CG1 VAL A 622 -10.459 -2.697 3.068 1.00 0.91 C ATOM 1409 CG2 VAL A 622 -11.142 -1.726 5.241 1.00 0.77 C ATOM 0 H VAL A 622 -13.165 -3.708 1.905 1.00 0.92 H new ATOM 0 HA VAL A 622 -13.384 -3.461 4.781 1.00 0.81 H new ATOM 0 HB VAL A 622 -11.138 -3.819 4.767 1.00 0.83 H new ATOM 0 HG11 VAL A 622 -9.435 -2.559 3.415 1.00 0.91 H new ATOM 0 HG12 VAL A 622 -10.510 -3.580 2.431 1.00 0.91 H new ATOM 0 HG13 VAL A 622 -10.771 -1.821 2.499 1.00 0.91 H new ATOM 0 HG21 VAL A 622 -10.076 -1.648 5.454 1.00 0.77 H new ATOM 0 HG22 VAL A 622 -11.492 -0.795 4.794 1.00 0.77 H new ATOM 0 HG23 VAL A 622 -11.685 -1.910 6.168 1.00 0.77 H new ATOM 1419 N ARG A 623 -14.192 -1.113 4.553 1.00 0.74 N ATOM 1420 CA ARG A 623 -14.794 0.226 4.437 1.00 0.69 C ATOM 1421 C ARG A 623 -14.166 1.253 5.383 1.00 0.65 C ATOM 1422 O ARG A 623 -13.547 0.921 6.396 1.00 0.64 O ATOM 1423 CB ARG A 623 -16.338 0.172 4.536 1.00 0.83 C ATOM 1424 CG ARG A 623 -16.951 0.097 5.948 1.00 1.03 C ATOM 1425 CD ARG A 623 -17.279 -1.318 6.431 1.00 1.01 C ATOM 1426 NE ARG A 623 -17.785 -1.287 7.818 1.00 2.23 N ATOM 1427 CZ ARG A 623 -18.097 -2.342 8.551 1.00 3.18 C ATOM 1428 NH1 ARG A 623 -18.090 -3.549 8.072 1.00 3.13 N ATOM 1429 NH2 ARG A 623 -18.416 -2.216 9.803 1.00 4.69 N ATOM 0 H ARG A 623 -14.268 -1.502 5.493 1.00 0.74 H new ATOM 0 HA ARG A 623 -14.559 0.586 3.435 1.00 0.69 H new ATOM 0 HB2 ARG A 623 -16.739 1.056 4.040 1.00 0.83 H new ATOM 0 HB3 ARG A 623 -16.683 -0.695 3.972 1.00 0.83 H new ATOM 0 HG2 ARG A 623 -16.259 0.555 6.654 1.00 1.03 H new ATOM 0 HG3 ARG A 623 -17.864 0.692 5.965 1.00 1.03 H new ATOM 0 HD2 ARG A 623 -18.024 -1.769 5.776 1.00 1.01 H new ATOM 0 HD3 ARG A 623 -16.388 -1.943 6.377 1.00 1.01 H new ATOM 0 HE ARG A 623 -17.904 -0.370 8.249 1.00 2.23 H new ATOM 0 HH11 ARG A 623 -17.837 -3.709 7.097 1.00 3.13 H new ATOM 0 HH12 ARG A 623 -18.337 -4.337 8.671 1.00 3.13 H new ATOM 0 HH21 ARG A 623 -18.429 -1.292 10.236 1.00 4.69 H new ATOM 0 HH22 ARG A 623 -18.654 -3.041 10.354 1.00 4.69 H new ATOM 1443 N ALA A 624 -14.353 2.525 5.058 1.00 0.66 N ATOM 1444 CA ALA A 624 -13.980 3.635 5.919 1.00 0.61 C ATOM 1445 C ALA A 624 -14.828 3.635 7.206 1.00 0.63 C ATOM 1446 O ALA A 624 -16.061 3.587 7.147 1.00 0.72 O ATOM 1447 CB ALA A 624 -14.150 4.918 5.102 1.00 0.63 C ATOM 0 H ALA A 624 -14.774 2.817 4.176 1.00 0.66 H new ATOM 0 HA ALA A 624 -12.944 3.551 6.248 1.00 0.61 H new ATOM 0 HB1 ALA A 624 -13.879 5.778 5.715 1.00 0.63 H new ATOM 0 HB2 ALA A 624 -13.504 4.879 4.225 1.00 0.63 H new ATOM 0 HB3 ALA A 624 -15.188 5.012 4.784 1.00 0.63 H new ATOM 1453 N ASP A 625 -14.187 3.718 8.378 1.00 0.63 N ATOM 1454 CA ASP A 625 -14.903 3.929 9.652 1.00 0.72 C ATOM 1455 C ASP A 625 -15.368 5.379 9.804 1.00 0.76 C ATOM 1456 O ASP A 625 -16.266 5.702 10.583 1.00 0.86 O ATOM 1457 CB ASP A 625 -13.975 3.622 10.833 1.00 0.78 C ATOM 1458 CG ASP A 625 -14.785 3.186 12.050 1.00 1.12 C ATOM 1459 OD1 ASP A 625 -15.405 2.103 11.981 1.00 1.90 O ATOM 1460 OD2 ASP A 625 -14.805 3.909 13.075 1.00 2.10 O ATOM 0 H ASP A 625 -13.174 3.643 8.476 1.00 0.63 H new ATOM 0 HA ASP A 625 -15.767 3.265 9.644 1.00 0.72 H new ATOM 0 HB2 ASP A 625 -13.272 2.836 10.556 1.00 0.78 H new ATOM 0 HB3 ASP A 625 -13.385 4.505 11.079 1.00 0.78 H new ATOM 1465 N THR A 626 -14.662 6.264 9.104 1.00 0.72 N ATOM 1466 CA THR A 626 -14.656 7.701 9.357 1.00 0.72 C ATOM 1467 C THR A 626 -14.283 8.430 8.065 1.00 0.68 C ATOM 1468 O THR A 626 -14.065 7.782 7.041 1.00 0.70 O ATOM 1469 CB THR A 626 -13.678 7.951 10.516 1.00 0.78 C ATOM 1470 OG1 THR A 626 -13.594 9.307 10.844 1.00 0.86 O ATOM 1471 CG2 THR A 626 -12.269 7.413 10.269 1.00 0.76 C ATOM 0 H THR A 626 -14.063 5.993 8.324 1.00 0.72 H new ATOM 0 HA THR A 626 -15.632 8.086 9.651 1.00 0.72 H new ATOM 0 HB THR A 626 -14.102 7.393 11.351 1.00 0.78 H new ATOM 0 HG1 THR A 626 -12.964 9.426 11.586 1.00 0.86 H new ATOM 0 HG21 THR A 626 -11.640 7.629 11.133 1.00 0.76 H new ATOM 0 HG22 THR A 626 -12.313 6.335 10.113 1.00 0.76 H new ATOM 0 HG23 THR A 626 -11.847 7.890 9.385 1.00 0.76 H new ATOM 1479 N TYR A 627 -14.195 9.758 8.074 1.00 0.72 N ATOM 1480 CA TYR A 627 -13.508 10.477 7.002 1.00 0.74 C ATOM 1481 C TYR A 627 -12.023 10.074 7.074 1.00 0.73 C ATOM 1482 O TYR A 627 -11.283 10.479 7.974 1.00 0.85 O ATOM 1483 CB TYR A 627 -13.832 11.980 7.107 1.00 0.86 C ATOM 1484 CG TYR A 627 -12.723 12.953 6.750 1.00 1.33 C ATOM 1485 CD1 TYR A 627 -12.367 13.174 5.405 1.00 1.86 C ATOM 1486 CD2 TYR A 627 -12.071 13.664 7.776 1.00 2.67 C ATOM 1487 CE1 TYR A 627 -11.346 14.102 5.090 1.00 2.20 C ATOM 1488 CE2 TYR A 627 -11.066 14.597 7.466 1.00 3.21 C ATOM 1489 CZ TYR A 627 -10.701 14.817 6.125 1.00 2.52 C ATOM 1490 OH TYR A 627 -9.724 15.717 5.847 1.00 3.16 O ATOM 0 H TYR A 627 -14.586 10.354 8.804 1.00 0.72 H new ATOM 0 HA TYR A 627 -13.844 10.214 5.999 1.00 0.74 H new ATOM 0 HB2 TYR A 627 -14.685 12.188 6.461 1.00 0.86 H new ATOM 0 HB3 TYR A 627 -14.148 12.187 8.129 1.00 0.86 H new ATOM 0 HD1 TYR A 627 -12.872 12.636 4.616 1.00 1.86 H new ATOM 0 HD2 TYR A 627 -12.344 13.492 8.806 1.00 2.67 H new ATOM 0 HE1 TYR A 627 -11.060 14.264 4.061 1.00 2.20 H new ATOM 0 HE2 TYR A 627 -10.574 15.144 8.257 1.00 3.21 H new ATOM 0 HH TYR A 627 -9.396 16.112 6.682 1.00 3.16 H new ATOM 1500 N CYS A 628 -11.627 9.153 6.189 1.00 0.67 N ATOM 1501 CA CYS A 628 -10.306 8.532 6.165 1.00 0.63 C ATOM 1502 C CYS A 628 -9.508 9.095 4.980 1.00 0.65 C ATOM 1503 O CYS A 628 -9.950 9.062 3.828 1.00 0.69 O ATOM 1504 CB CYS A 628 -10.412 6.984 6.212 1.00 0.56 C ATOM 1505 SG CYS A 628 -10.875 6.224 4.635 1.00 2.09 S ATOM 0 H CYS A 628 -12.239 8.811 5.448 1.00 0.67 H new ATOM 0 HA CYS A 628 -9.744 8.786 7.064 1.00 0.63 H new ATOM 0 HB2 CYS A 628 -9.454 6.575 6.532 1.00 0.56 H new ATOM 0 HB3 CYS A 628 -11.147 6.704 6.967 1.00 0.56 H new ATOM 0 HG CYS A 628 -10.687 7.076 3.671 1.00 2.09 H new ATOM 1511 N ARG A 629 -8.319 9.627 5.267 1.00 0.70 N ATOM 1512 CA ARG A 629 -7.354 10.090 4.272 1.00 0.73 C ATOM 1513 C ARG A 629 -6.271 9.035 4.081 1.00 0.77 C ATOM 1514 O ARG A 629 -5.575 8.627 5.019 1.00 0.84 O ATOM 1515 CB ARG A 629 -6.844 11.482 4.649 1.00 0.92 C ATOM 1516 CG ARG A 629 -5.708 11.941 3.746 1.00 1.67 C ATOM 1517 CD ARG A 629 -5.412 13.427 3.941 1.00 1.82 C ATOM 1518 NE ARG A 629 -4.984 13.769 5.312 1.00 2.27 N ATOM 1519 CZ ARG A 629 -5.714 14.330 6.263 1.00 2.97 C ATOM 1520 NH1 ARG A 629 -6.943 14.715 6.094 1.00 3.45 N ATOM 1521 NH2 ARG A 629 -5.240 14.525 7.451 1.00 3.96 N ATOM 0 H ARG A 629 -7.993 9.751 6.225 1.00 0.70 H new ATOM 0 HA ARG A 629 -7.822 10.211 3.295 1.00 0.73 H new ATOM 0 HB2 ARG A 629 -7.665 12.197 4.589 1.00 0.92 H new ATOM 0 HB3 ARG A 629 -6.503 11.474 5.684 1.00 0.92 H new ATOM 0 HG2 ARG A 629 -4.812 11.358 3.960 1.00 1.67 H new ATOM 0 HG3 ARG A 629 -5.969 11.753 2.705 1.00 1.67 H new ATOM 0 HD2 ARG A 629 -4.634 13.729 3.240 1.00 1.82 H new ATOM 0 HD3 ARG A 629 -6.304 14.002 3.694 1.00 1.82 H new ATOM 0 HE ARG A 629 -4.018 13.548 5.553 1.00 2.27 H new ATOM 0 HH11 ARG A 629 -7.396 14.591 5.189 1.00 3.45 H new ATOM 0 HH12 ARG A 629 -7.455 15.142 6.866 1.00 3.45 H new ATOM 0 HH21 ARG A 629 -4.284 14.244 7.671 1.00 3.96 H new ATOM 0 HH22 ARG A 629 -5.822 14.959 8.167 1.00 3.96 H new ATOM 1535 N LEU A 630 -6.179 8.582 2.842 1.00 0.77 N ATOM 1536 CA LEU A 630 -5.404 7.438 2.382 1.00 0.78 C ATOM 1537 C LEU A 630 -4.417 7.889 1.283 1.00 0.78 C ATOM 1538 O LEU A 630 -4.379 9.054 0.878 1.00 1.04 O ATOM 1539 CB LEU A 630 -6.363 6.320 1.891 1.00 0.78 C ATOM 1540 CG LEU A 630 -7.541 5.910 2.809 1.00 0.79 C ATOM 1541 CD1 LEU A 630 -8.225 4.648 2.273 1.00 0.83 C ATOM 1542 CD2 LEU A 630 -7.153 5.560 4.246 1.00 0.87 C ATOM 0 H LEU A 630 -6.678 9.035 2.076 1.00 0.77 H new ATOM 0 HA LEU A 630 -4.816 7.026 3.202 1.00 0.78 H new ATOM 0 HB2 LEU A 630 -6.780 6.636 0.935 1.00 0.78 H new ATOM 0 HB3 LEU A 630 -5.765 5.429 1.699 1.00 0.78 H new ATOM 0 HG LEU A 630 -8.178 6.794 2.812 1.00 0.79 H new ATOM 0 HD11 LEU A 630 -9.050 4.374 2.930 1.00 0.83 H new ATOM 0 HD12 LEU A 630 -8.608 4.839 1.271 1.00 0.83 H new ATOM 0 HD13 LEU A 630 -7.504 3.831 2.236 1.00 0.83 H new ATOM 0 HD21 LEU A 630 -8.046 5.287 4.808 1.00 0.87 H new ATOM 0 HD22 LEU A 630 -6.457 4.721 4.241 1.00 0.87 H new ATOM 0 HD23 LEU A 630 -6.679 6.422 4.715 1.00 0.87 H new ATOM 1554 N TYR A 631 -3.611 6.959 0.787 1.00 0.63 N ATOM 1555 CA TYR A 631 -2.657 7.173 -0.303 1.00 0.65 C ATOM 1556 C TYR A 631 -2.750 6.065 -1.358 1.00 0.69 C ATOM 1557 O TYR A 631 -3.214 4.960 -1.049 1.00 0.85 O ATOM 1558 CB TYR A 631 -1.246 7.280 0.286 1.00 0.79 C ATOM 1559 CG TYR A 631 -0.687 8.685 0.263 1.00 2.18 C ATOM 1560 CD1 TYR A 631 -0.033 9.126 -0.897 1.00 3.38 C ATOM 1561 CD2 TYR A 631 -0.829 9.547 1.364 1.00 3.60 C ATOM 1562 CE1 TYR A 631 0.519 10.420 -0.951 1.00 4.95 C ATOM 1563 CE2 TYR A 631 -0.289 10.848 1.315 1.00 5.12 C ATOM 1564 CZ TYR A 631 0.399 11.282 0.161 1.00 5.58 C ATOM 1565 OH TYR A 631 0.934 12.532 0.127 1.00 7.25 O ATOM 0 H TYR A 631 -3.600 6.003 1.141 1.00 0.63 H new ATOM 0 HA TYR A 631 -2.900 8.104 -0.816 1.00 0.65 H new ATOM 0 HB2 TYR A 631 -1.262 6.921 1.315 1.00 0.79 H new ATOM 0 HB3 TYR A 631 -0.578 6.623 -0.270 1.00 0.79 H new ATOM 0 HD1 TYR A 631 0.047 8.471 -1.752 1.00 3.38 H new ATOM 0 HD2 TYR A 631 -1.352 9.212 2.248 1.00 3.60 H new ATOM 0 HE1 TYR A 631 1.033 10.753 -1.841 1.00 4.95 H new ATOM 0 HE2 TYR A 631 -0.401 11.512 2.159 1.00 5.12 H new ATOM 0 HH TYR A 631 0.756 12.987 0.977 1.00 7.25 H new ATOM 1575 N SER A 632 -2.304 6.353 -2.589 1.00 0.68 N ATOM 1576 CA SER A 632 -2.313 5.401 -3.708 1.00 0.83 C ATOM 1577 C SER A 632 -0.967 5.288 -4.417 1.00 0.71 C ATOM 1578 O SER A 632 -0.375 6.301 -4.800 1.00 0.89 O ATOM 1579 CB SER A 632 -3.338 5.820 -4.760 1.00 1.28 C ATOM 1580 OG SER A 632 -4.645 5.853 -4.234 1.00 1.98 O ATOM 0 H SER A 632 -1.922 7.265 -2.838 1.00 0.68 H new ATOM 0 HA SER A 632 -2.560 4.437 -3.263 1.00 0.83 H new ATOM 0 HB2 SER A 632 -3.078 6.804 -5.149 1.00 1.28 H new ATOM 0 HB3 SER A 632 -3.302 5.126 -5.600 1.00 1.28 H new ATOM 0 HG SER A 632 -5.274 6.115 -4.938 1.00 1.98 H new ATOM 1586 N LEU A 633 -0.517 4.056 -4.670 1.00 0.72 N ATOM 1587 CA LEU A 633 0.773 3.776 -5.302 1.00 0.71 C ATOM 1588 C LEU A 633 0.635 2.665 -6.357 1.00 0.76 C ATOM 1589 O LEU A 633 0.357 1.512 -6.020 1.00 0.77 O ATOM 1590 CB LEU A 633 1.771 3.420 -4.177 1.00 0.88 C ATOM 1591 CG LEU A 633 3.232 3.809 -4.454 1.00 1.04 C ATOM 1592 CD1 LEU A 633 4.074 3.453 -3.228 1.00 1.37 C ATOM 1593 CD2 LEU A 633 3.848 3.111 -5.665 1.00 1.38 C ATOM 0 H LEU A 633 -1.046 3.215 -4.438 1.00 0.72 H new ATOM 0 HA LEU A 633 1.145 4.646 -5.844 1.00 0.71 H new ATOM 0 HB2 LEU A 633 1.449 3.910 -3.258 1.00 0.88 H new ATOM 0 HB3 LEU A 633 1.725 2.346 -3.998 1.00 0.88 H new ATOM 0 HG LEU A 633 3.228 4.878 -4.668 1.00 1.04 H new ATOM 0 HD11 LEU A 633 5.114 3.724 -3.410 1.00 1.37 H new ATOM 0 HD12 LEU A 633 3.703 4.000 -2.361 1.00 1.37 H new ATOM 0 HD13 LEU A 633 4.006 2.382 -3.038 1.00 1.37 H new ATOM 0 HD21 LEU A 633 4.879 3.441 -5.790 1.00 1.38 H new ATOM 0 HD22 LEU A 633 3.829 2.032 -5.512 1.00 1.38 H new ATOM 0 HD23 LEU A 633 3.276 3.361 -6.559 1.00 1.38 H new ATOM 1605 N SER A 634 0.862 3.002 -7.632 1.00 0.86 N ATOM 1606 CA SER A 634 0.964 2.023 -8.725 1.00 0.88 C ATOM 1607 C SER A 634 2.069 1.015 -8.402 1.00 0.93 C ATOM 1608 O SER A 634 3.239 1.387 -8.268 1.00 0.88 O ATOM 1609 CB SER A 634 1.288 2.725 -10.052 1.00 0.92 C ATOM 1610 OG SER A 634 1.489 1.788 -11.100 1.00 1.94 O ATOM 0 H SER A 634 0.981 3.968 -7.938 1.00 0.86 H new ATOM 0 HA SER A 634 0.008 1.509 -8.825 1.00 0.88 H new ATOM 0 HB2 SER A 634 0.474 3.399 -10.317 1.00 0.92 H new ATOM 0 HB3 SER A 634 2.182 3.337 -9.933 1.00 0.92 H new ATOM 0 HG SER A 634 1.692 2.266 -11.931 1.00 1.94 H new ATOM 1616 N VAL A 635 1.700 -0.265 -8.308 1.00 1.20 N ATOM 1617 CA VAL A 635 2.645 -1.368 -8.068 1.00 1.50 C ATOM 1618 C VAL A 635 3.788 -1.325 -9.059 1.00 1.49 C ATOM 1619 O VAL A 635 4.951 -1.583 -8.750 1.00 1.75 O ATOM 1620 CB VAL A 635 1.938 -2.736 -8.121 1.00 1.74 C ATOM 1621 CG1 VAL A 635 1.996 -3.499 -9.442 1.00 1.63 C ATOM 1622 CG2 VAL A 635 2.790 -3.654 -7.297 1.00 2.62 C ATOM 0 H VAL A 635 0.731 -0.571 -8.396 1.00 1.20 H new ATOM 0 HA VAL A 635 3.052 -1.238 -7.065 1.00 1.50 H new ATOM 0 HB VAL A 635 0.905 -2.519 -7.848 1.00 1.74 H new ATOM 0 HG11 VAL A 635 1.460 -4.443 -9.341 1.00 1.63 H new ATOM 0 HG12 VAL A 635 1.534 -2.902 -10.228 1.00 1.63 H new ATOM 0 HG13 VAL A 635 3.036 -3.698 -9.702 1.00 1.63 H new ATOM 0 HG21 VAL A 635 2.348 -4.650 -7.288 1.00 2.62 H new ATOM 0 HG22 VAL A 635 3.791 -3.705 -7.726 1.00 2.62 H new ATOM 0 HG23 VAL A 635 2.851 -3.275 -6.277 1.00 2.62 H new ATOM 1632 N ASP A 636 3.441 -0.987 -10.290 1.00 1.30 N ATOM 1633 CA ASP A 636 4.371 -1.122 -11.372 1.00 1.59 C ATOM 1634 C ASP A 636 5.480 -0.071 -11.280 1.00 1.52 C ATOM 1635 O ASP A 636 6.603 -0.339 -11.699 1.00 1.83 O ATOM 1636 CB ASP A 636 3.633 -0.912 -12.697 1.00 1.64 C ATOM 1637 CG ASP A 636 2.504 -1.916 -12.886 1.00 1.97 C ATOM 1638 OD1 ASP A 636 1.363 -1.671 -12.432 1.00 2.34 O ATOM 1639 OD2 ASP A 636 2.773 -3.003 -13.455 1.00 2.68 O ATOM 0 H ASP A 636 2.526 -0.621 -10.553 1.00 1.30 H new ATOM 0 HA ASP A 636 4.812 -2.117 -11.317 1.00 1.59 H new ATOM 0 HB2 ASP A 636 3.228 0.099 -12.730 1.00 1.64 H new ATOM 0 HB3 ASP A 636 4.339 -1.000 -13.523 1.00 1.64 H new ATOM 1644 N ASN A 637 5.167 1.098 -10.706 1.00 1.19 N ATOM 1645 CA ASN A 637 6.118 2.180 -10.475 1.00 1.09 C ATOM 1646 C ASN A 637 7.098 1.830 -9.349 1.00 1.06 C ATOM 1647 O ASN A 637 8.274 2.148 -9.472 1.00 1.22 O ATOM 1648 CB ASN A 637 5.364 3.486 -10.193 1.00 1.08 C ATOM 1649 CG ASN A 637 6.266 4.687 -10.401 1.00 2.13 C ATOM 1650 OD1 ASN A 637 6.612 5.419 -9.480 1.00 3.71 O ATOM 1651 ND2 ASN A 637 6.682 4.918 -11.624 1.00 2.13 N ATOM 0 H ASN A 637 4.224 1.317 -10.384 1.00 1.19 H new ATOM 0 HA ASN A 637 6.716 2.321 -11.376 1.00 1.09 H new ATOM 0 HB2 ASN A 637 4.497 3.559 -10.850 1.00 1.08 H new ATOM 0 HB3 ASN A 637 4.989 3.481 -9.170 1.00 1.08 H new ATOM 0 HD21 ASN A 637 7.297 5.710 -11.813 1.00 2.13 H new ATOM 0 HD22 ASN A 637 6.391 4.306 -12.386 1.00 2.13 H new ATOM 1658 N PHE A 638 6.647 1.098 -8.321 1.00 1.03 N ATOM 1659 CA PHE A 638 7.503 0.453 -7.314 1.00 1.11 C ATOM 1660 C PHE A 638 8.477 -0.527 -7.988 1.00 1.27 C ATOM 1661 O PHE A 638 9.685 -0.458 -7.772 1.00 1.27 O ATOM 1662 CB PHE A 638 6.617 -0.238 -6.270 1.00 1.23 C ATOM 1663 CG PHE A 638 7.296 -0.722 -4.996 1.00 1.35 C ATOM 1664 CD1 PHE A 638 8.394 -1.609 -5.024 1.00 1.86 C ATOM 1665 CD2 PHE A 638 6.773 -0.322 -3.753 1.00 2.80 C ATOM 1666 CE1 PHE A 638 9.000 -2.037 -3.832 1.00 1.91 C ATOM 1667 CE2 PHE A 638 7.379 -0.746 -2.557 1.00 2.94 C ATOM 1668 CZ PHE A 638 8.501 -1.593 -2.599 1.00 1.69 C ATOM 0 H PHE A 638 5.653 0.934 -8.162 1.00 1.03 H new ATOM 0 HA PHE A 638 8.109 1.202 -6.804 1.00 1.11 H new ATOM 0 HB2 PHE A 638 5.823 0.454 -5.988 1.00 1.23 H new ATOM 0 HB3 PHE A 638 6.139 -1.095 -6.745 1.00 1.23 H new ATOM 0 HD1 PHE A 638 8.772 -1.962 -5.972 1.00 1.86 H new ATOM 0 HD2 PHE A 638 5.901 0.314 -3.717 1.00 2.80 H new ATOM 0 HE1 PHE A 638 9.847 -2.706 -3.865 1.00 1.91 H new ATOM 0 HE2 PHE A 638 6.983 -0.421 -1.606 1.00 2.94 H new ATOM 0 HZ PHE A 638 8.979 -1.902 -1.681 1.00 1.69 H new ATOM 1678 N ASN A 639 7.974 -1.406 -8.860 1.00 1.44 N ATOM 1679 CA ASN A 639 8.795 -2.350 -9.631 1.00 1.64 C ATOM 1680 C ASN A 639 9.749 -1.660 -10.639 1.00 1.66 C ATOM 1681 O ASN A 639 10.716 -2.271 -11.093 1.00 1.83 O ATOM 1682 CB ASN A 639 7.831 -3.325 -10.348 1.00 1.77 C ATOM 1683 CG ASN A 639 7.300 -4.438 -9.462 1.00 2.08 C ATOM 1684 OD1 ASN A 639 7.997 -4.950 -8.596 1.00 2.71 O ATOM 1685 ND2 ASN A 639 6.091 -4.897 -9.679 1.00 1.93 N ATOM 0 H ASN A 639 6.976 -1.485 -9.054 1.00 1.44 H new ATOM 0 HA ASN A 639 9.454 -2.882 -8.945 1.00 1.64 H new ATOM 0 HB2 ASN A 639 6.989 -2.759 -10.746 1.00 1.77 H new ATOM 0 HB3 ASN A 639 8.347 -3.768 -11.199 1.00 1.77 H new ATOM 0 HD21 ASN A 639 5.735 -5.678 -9.127 1.00 1.93 H new ATOM 0 HD22 ASN A 639 5.506 -4.473 -10.400 1.00 1.93 H new ATOM 1692 N GLU A 640 9.491 -0.402 -10.994 1.00 1.52 N ATOM 1693 CA GLU A 640 10.245 0.425 -11.944 1.00 1.57 C ATOM 1694 C GLU A 640 11.355 1.249 -11.264 1.00 1.38 C ATOM 1695 O GLU A 640 12.488 1.265 -11.751 1.00 1.57 O ATOM 1696 CB GLU A 640 9.196 1.254 -12.695 1.00 1.74 C ATOM 1697 CG GLU A 640 9.642 2.557 -13.341 1.00 1.52 C ATOM 1698 CD GLU A 640 8.594 3.074 -14.340 1.00 2.25 C ATOM 1699 OE1 GLU A 640 7.432 3.349 -13.948 1.00 3.71 O ATOM 1700 OE2 GLU A 640 8.924 3.203 -15.545 1.00 2.69 O ATOM 0 H GLU A 640 8.697 0.103 -10.601 1.00 1.52 H new ATOM 0 HA GLU A 640 10.810 -0.181 -12.653 1.00 1.57 H new ATOM 0 HB2 GLU A 640 8.769 0.624 -13.475 1.00 1.74 H new ATOM 0 HB3 GLU A 640 8.392 1.486 -11.997 1.00 1.74 H new ATOM 0 HG2 GLU A 640 9.813 3.308 -12.569 1.00 1.52 H new ATOM 0 HG3 GLU A 640 10.592 2.405 -13.854 1.00 1.52 H new ATOM 1707 N VAL A 641 11.077 1.851 -10.103 1.00 1.13 N ATOM 1708 CA VAL A 641 12.104 2.456 -9.224 1.00 1.09 C ATOM 1709 C VAL A 641 13.051 1.400 -8.638 1.00 1.16 C ATOM 1710 O VAL A 641 14.225 1.685 -8.413 1.00 1.20 O ATOM 1711 CB VAL A 641 11.458 3.336 -8.133 1.00 0.98 C ATOM 1712 CG1 VAL A 641 10.585 2.548 -7.164 1.00 1.03 C ATOM 1713 CG2 VAL A 641 12.469 4.101 -7.276 1.00 0.82 C ATOM 0 H VAL A 641 10.129 1.937 -9.737 1.00 1.13 H new ATOM 0 HA VAL A 641 12.720 3.111 -9.840 1.00 1.09 H new ATOM 0 HB VAL A 641 10.856 4.034 -8.714 1.00 0.98 H new ATOM 0 HG11 VAL A 641 10.161 3.225 -6.423 1.00 1.03 H new ATOM 0 HG12 VAL A 641 9.779 2.061 -7.714 1.00 1.03 H new ATOM 0 HG13 VAL A 641 11.189 1.793 -6.662 1.00 1.03 H new ATOM 0 HG21 VAL A 641 11.939 4.696 -6.533 1.00 0.82 H new ATOM 0 HG22 VAL A 641 13.128 3.394 -6.772 1.00 0.82 H new ATOM 0 HG23 VAL A 641 13.061 4.759 -7.912 1.00 0.82 H new ATOM 1723 N LEU A 642 12.586 0.153 -8.493 1.00 1.20 N ATOM 1724 CA LEU A 642 13.406 -1.031 -8.196 1.00 1.31 C ATOM 1725 C LEU A 642 14.685 -1.152 -9.047 1.00 1.38 C ATOM 1726 O LEU A 642 15.733 -1.562 -8.550 1.00 1.49 O ATOM 1727 CB LEU A 642 12.548 -2.268 -8.327 1.00 1.31 C ATOM 1728 CG LEU A 642 12.951 -3.216 -7.188 1.00 1.42 C ATOM 1729 CD1 LEU A 642 12.530 -2.803 -5.774 1.00 2.12 C ATOM 1730 CD2 LEU A 642 12.201 -4.467 -7.464 1.00 3.06 C ATOM 0 H LEU A 642 11.594 -0.068 -8.582 1.00 1.20 H new ATOM 0 HA LEU A 642 13.765 -0.919 -7.173 1.00 1.31 H new ATOM 0 HB2 LEU A 642 11.490 -2.013 -8.260 1.00 1.31 H new ATOM 0 HB3 LEU A 642 12.701 -2.743 -9.296 1.00 1.31 H new ATOM 0 HG LEU A 642 14.040 -3.262 -7.183 1.00 1.42 H new ATOM 0 HD11 LEU A 642 12.872 -3.552 -5.059 1.00 2.12 H new ATOM 0 HD12 LEU A 642 12.974 -1.838 -5.529 1.00 2.12 H new ATOM 0 HD13 LEU A 642 11.444 -2.725 -5.726 1.00 2.12 H new ATOM 0 HD21 LEU A 642 12.430 -5.205 -6.695 1.00 3.06 H new ATOM 0 HD22 LEU A 642 11.131 -4.258 -7.460 1.00 3.06 H new ATOM 0 HD23 LEU A 642 12.491 -4.857 -8.440 1.00 3.06 H new ATOM 1742 N GLU A 643 14.597 -0.780 -10.325 1.00 1.39 N ATOM 1743 CA GLU A 643 15.676 -0.915 -11.308 1.00 1.53 C ATOM 1744 C GLU A 643 16.616 0.315 -11.328 1.00 1.38 C ATOM 1745 O GLU A 643 17.737 0.230 -11.838 1.00 1.38 O ATOM 1746 CB GLU A 643 15.033 -1.162 -12.686 1.00 1.92 C ATOM 1747 CG GLU A 643 14.004 -2.308 -12.753 1.00 2.66 C ATOM 1748 CD GLU A 643 14.555 -3.599 -13.368 1.00 3.47 C ATOM 1749 OE1 GLU A 643 15.142 -4.424 -12.626 1.00 4.64 O ATOM 1750 OE2 GLU A 643 14.385 -3.821 -14.594 1.00 3.64 O ATOM 0 H GLU A 643 13.751 -0.365 -10.716 1.00 1.39 H new ATOM 0 HA GLU A 643 16.310 -1.758 -11.033 1.00 1.53 H new ATOM 0 HB2 GLU A 643 14.545 -0.242 -13.008 1.00 1.92 H new ATOM 0 HB3 GLU A 643 15.827 -1.370 -13.404 1.00 1.92 H new ATOM 0 HG2 GLU A 643 13.645 -2.521 -11.746 1.00 2.66 H new ATOM 0 HG3 GLU A 643 13.144 -1.978 -13.335 1.00 2.66 H new ATOM 1757 N GLU A 644 16.217 1.454 -10.742 1.00 1.34 N ATOM 1758 CA GLU A 644 17.053 2.656 -10.609 1.00 1.39 C ATOM 1759 C GLU A 644 18.128 2.513 -9.513 1.00 1.22 C ATOM 1760 O GLU A 644 19.111 3.259 -9.478 1.00 1.36 O ATOM 1761 CB GLU A 644 16.139 3.830 -10.284 1.00 1.52 C ATOM 1762 CG GLU A 644 15.159 4.146 -11.414 1.00 1.80 C ATOM 1763 CD GLU A 644 15.723 5.168 -12.401 1.00 2.13 C ATOM 1764 OE1 GLU A 644 15.573 6.397 -12.171 1.00 2.53 O ATOM 1765 OE2 GLU A 644 16.346 4.736 -13.401 1.00 2.81 O ATOM 0 H GLU A 644 15.287 1.567 -10.340 1.00 1.34 H new ATOM 0 HA GLU A 644 17.584 2.813 -11.548 1.00 1.39 H new ATOM 0 HB2 GLU A 644 15.580 3.609 -9.375 1.00 1.52 H new ATOM 0 HB3 GLU A 644 16.746 4.712 -10.078 1.00 1.52 H new ATOM 0 HG2 GLU A 644 14.913 3.227 -11.946 1.00 1.80 H new ATOM 0 HG3 GLU A 644 14.230 4.527 -10.990 1.00 1.80 H new ATOM 1772 N TYR A 645 17.929 1.545 -8.619 1.00 1.02 N ATOM 1773 CA TYR A 645 18.797 1.195 -7.493 1.00 0.92 C ATOM 1774 C TYR A 645 19.013 -0.330 -7.495 1.00 0.95 C ATOM 1775 O TYR A 645 18.525 -1.013 -6.598 1.00 0.92 O ATOM 1776 CB TYR A 645 18.190 1.748 -6.185 1.00 0.81 C ATOM 1777 CG TYR A 645 17.929 3.244 -6.247 1.00 0.86 C ATOM 1778 CD1 TYR A 645 16.747 3.707 -6.856 1.00 2.23 C ATOM 1779 CD2 TYR A 645 18.909 4.166 -5.831 1.00 1.58 C ATOM 1780 CE1 TYR A 645 16.597 5.066 -7.173 1.00 2.42 C ATOM 1781 CE2 TYR A 645 18.736 5.541 -6.093 1.00 1.59 C ATOM 1782 CZ TYR A 645 17.604 5.986 -6.809 1.00 1.29 C ATOM 1783 OH TYR A 645 17.524 7.277 -7.223 1.00 1.64 O ATOM 0 H TYR A 645 17.105 0.946 -8.664 1.00 1.02 H new ATOM 0 HA TYR A 645 19.782 1.653 -7.582 1.00 0.92 H new ATOM 0 HB2 TYR A 645 17.255 1.228 -5.975 1.00 0.81 H new ATOM 0 HB3 TYR A 645 18.866 1.535 -5.357 1.00 0.81 H new ATOM 0 HD1 TYR A 645 15.951 3.012 -7.081 1.00 2.23 H new ATOM 0 HD2 TYR A 645 19.791 3.821 -5.312 1.00 1.58 H new ATOM 0 HE1 TYR A 645 15.714 5.407 -7.694 1.00 2.42 H new ATOM 0 HE2 TYR A 645 19.470 6.253 -5.746 1.00 1.59 H new ATOM 0 HH TYR A 645 18.296 7.777 -6.885 1.00 1.64 H new ATOM 1793 N PRO A 646 19.682 -0.902 -8.521 1.00 1.13 N ATOM 1794 CA PRO A 646 19.631 -2.333 -8.856 1.00 1.30 C ATOM 1795 C PRO A 646 20.156 -3.318 -7.794 1.00 1.23 C ATOM 1796 O PRO A 646 19.982 -4.527 -7.960 1.00 1.28 O ATOM 1797 CB PRO A 646 20.386 -2.470 -10.187 1.00 1.67 C ATOM 1798 CG PRO A 646 21.284 -1.238 -10.235 1.00 1.62 C ATOM 1799 CD PRO A 646 20.403 -0.189 -9.564 1.00 1.30 C ATOM 0 HA PRO A 646 18.584 -2.629 -8.917 1.00 1.30 H new ATOM 0 HB2 PRO A 646 20.970 -3.390 -10.221 1.00 1.67 H new ATOM 0 HB3 PRO A 646 19.700 -2.496 -11.033 1.00 1.67 H new ATOM 0 HG2 PRO A 646 22.220 -1.392 -9.697 1.00 1.62 H new ATOM 0 HG3 PRO A 646 21.545 -0.961 -11.256 1.00 1.62 H new ATOM 0 HD2 PRO A 646 21.003 0.619 -9.145 1.00 1.30 H new ATOM 0 HD3 PRO A 646 19.715 0.263 -10.279 1.00 1.30 H new ATOM 1807 N MET A 647 20.738 -2.865 -6.677 1.00 1.17 N ATOM 1808 CA MET A 647 20.932 -3.731 -5.503 1.00 1.22 C ATOM 1809 C MET A 647 19.592 -4.083 -4.815 1.00 1.12 C ATOM 1810 O MET A 647 19.437 -5.179 -4.278 1.00 1.18 O ATOM 1811 CB MET A 647 21.922 -3.077 -4.527 1.00 1.27 C ATOM 1812 CG MET A 647 21.230 -1.950 -3.772 1.00 1.77 C ATOM 1813 SD MET A 647 22.219 -0.914 -2.687 1.00 1.79 S ATOM 1814 CE MET A 647 20.779 -0.271 -1.797 1.00 1.32 C ATOM 0 H MET A 647 21.081 -1.912 -6.559 1.00 1.17 H new ATOM 0 HA MET A 647 21.357 -4.676 -5.842 1.00 1.22 H new ATOM 0 HB2 MET A 647 22.300 -3.820 -3.825 1.00 1.27 H new ATOM 0 HB3 MET A 647 22.782 -2.688 -5.072 1.00 1.27 H new ATOM 0 HG2 MET A 647 20.754 -1.301 -4.507 1.00 1.77 H new ATOM 0 HG3 MET A 647 20.433 -2.392 -3.174 1.00 1.77 H new ATOM 0 HE1 MET A 647 21.112 0.373 -0.983 1.00 1.32 H new ATOM 0 HE2 MET A 647 20.154 0.303 -2.482 1.00 1.32 H new ATOM 0 HE3 MET A 647 20.202 -1.101 -1.390 1.00 1.32 H new ATOM 1824 N MET A 648 18.621 -3.158 -4.855 1.00 1.03 N ATOM 1825 CA MET A 648 17.295 -3.251 -4.231 1.00 0.95 C ATOM 1826 C MET A 648 16.364 -4.153 -5.051 1.00 1.02 C ATOM 1827 O MET A 648 15.558 -4.875 -4.472 1.00 1.05 O ATOM 1828 CB MET A 648 16.669 -1.851 -4.046 1.00 0.88 C ATOM 1829 CG MET A 648 17.471 -0.876 -3.171 1.00 1.09 C ATOM 1830 SD MET A 648 16.963 -0.698 -1.432 1.00 1.52 S ATOM 1831 CE MET A 648 17.352 -2.339 -0.760 1.00 1.88 C ATOM 0 H MET A 648 18.748 -2.276 -5.352 1.00 1.03 H new ATOM 0 HA MET A 648 17.423 -3.699 -3.246 1.00 0.95 H new ATOM 0 HB2 MET A 648 16.533 -1.401 -5.029 1.00 0.88 H new ATOM 0 HB3 MET A 648 15.677 -1.971 -3.610 1.00 0.88 H new ATOM 0 HG2 MET A 648 18.515 -1.190 -3.186 1.00 1.09 H new ATOM 0 HG3 MET A 648 17.428 0.108 -3.637 1.00 1.09 H new ATOM 0 HE1 MET A 648 17.295 -2.310 0.328 1.00 1.88 H new ATOM 0 HE2 MET A 648 16.636 -3.067 -1.142 1.00 1.88 H new ATOM 0 HE3 MET A 648 18.359 -2.627 -1.062 1.00 1.88 H new ATOM 1841 N ARG A 649 16.541 -4.211 -6.384 1.00 1.12 N ATOM 1842 CA ARG A 649 15.985 -5.285 -7.231 1.00 1.25 C ATOM 1843 C ARG A 649 16.354 -6.646 -6.659 1.00 1.33 C ATOM 1844 O ARG A 649 15.476 -7.392 -6.236 1.00 1.46 O ATOM 1845 CB ARG A 649 16.418 -5.087 -8.703 1.00 1.38 C ATOM 1846 CG ARG A 649 16.192 -6.283 -9.651 1.00 1.78 C ATOM 1847 CD ARG A 649 14.814 -6.924 -9.481 1.00 2.30 C ATOM 1848 NE ARG A 649 14.530 -7.970 -10.472 1.00 3.04 N ATOM 1849 CZ ARG A 649 13.825 -7.837 -11.572 1.00 3.62 C ATOM 1850 NH1 ARG A 649 13.577 -6.706 -12.163 1.00 4.11 N ATOM 1851 NH2 ARG A 649 13.316 -8.897 -12.106 1.00 4.79 N ATOM 0 H ARG A 649 17.074 -3.515 -6.905 1.00 1.12 H new ATOM 0 HA ARG A 649 14.896 -5.238 -7.229 1.00 1.25 H new ATOM 0 HB2 ARG A 649 15.882 -4.227 -9.104 1.00 1.38 H new ATOM 0 HB3 ARG A 649 17.479 -4.836 -8.716 1.00 1.38 H new ATOM 0 HG2 ARG A 649 16.308 -5.950 -10.682 1.00 1.78 H new ATOM 0 HG3 ARG A 649 16.961 -7.034 -9.471 1.00 1.78 H new ATOM 0 HD2 ARG A 649 14.742 -7.352 -8.481 1.00 2.30 H new ATOM 0 HD3 ARG A 649 14.050 -6.150 -9.552 1.00 2.30 H new ATOM 0 HE ARG A 649 14.920 -8.894 -10.287 1.00 3.04 H new ATOM 0 HH11 ARG A 649 13.940 -5.836 -11.773 1.00 4.11 H new ATOM 0 HH12 ARG A 649 13.019 -6.688 -13.017 1.00 4.11 H new ATOM 0 HH21 ARG A 649 13.466 -9.808 -11.673 1.00 4.79 H new ATOM 0 HH22 ARG A 649 12.764 -8.823 -12.961 1.00 4.79 H new ATOM 1865 N ARG A 650 17.646 -6.941 -6.567 1.00 1.32 N ATOM 1866 CA ARG A 650 18.120 -8.227 -6.036 1.00 1.40 C ATOM 1867 C ARG A 650 17.626 -8.479 -4.607 1.00 1.39 C ATOM 1868 O ARG A 650 17.210 -9.586 -4.282 1.00 1.53 O ATOM 1869 CB ARG A 650 19.653 -8.251 -6.113 1.00 1.47 C ATOM 1870 CG ARG A 650 20.283 -9.343 -5.239 1.00 2.10 C ATOM 1871 CD ARG A 650 21.800 -9.342 -5.413 1.00 2.14 C ATOM 1872 NE ARG A 650 22.474 -10.178 -4.403 1.00 2.91 N ATOM 1873 CZ ARG A 650 22.264 -11.457 -4.144 1.00 4.22 C ATOM 1874 NH1 ARG A 650 21.585 -12.258 -4.916 1.00 5.28 N ATOM 1875 NH2 ARG A 650 22.719 -11.982 -3.050 1.00 5.25 N ATOM 0 H ARG A 650 18.392 -6.307 -6.853 1.00 1.32 H new ATOM 0 HA ARG A 650 17.709 -9.035 -6.641 1.00 1.40 H new ATOM 0 HB2 ARG A 650 19.956 -8.403 -7.149 1.00 1.47 H new ATOM 0 HB3 ARG A 650 20.041 -7.280 -5.807 1.00 1.47 H new ATOM 0 HG2 ARG A 650 20.029 -9.174 -4.193 1.00 2.10 H new ATOM 0 HG3 ARG A 650 19.878 -10.317 -5.512 1.00 2.10 H new ATOM 0 HD2 ARG A 650 22.050 -9.705 -6.410 1.00 2.14 H new ATOM 0 HD3 ARG A 650 22.172 -8.320 -5.344 1.00 2.14 H new ATOM 0 HE ARG A 650 23.186 -9.715 -3.838 1.00 2.91 H new ATOM 0 HH11 ARG A 650 21.177 -11.907 -5.782 1.00 5.28 H new ATOM 0 HH12 ARG A 650 21.462 -13.236 -4.654 1.00 5.28 H new ATOM 0 HH21 ARG A 650 23.240 -11.408 -2.387 1.00 5.25 H new ATOM 0 HH22 ARG A 650 22.556 -12.969 -2.852 1.00 5.25 H new ATOM 1889 N ALA A 651 17.622 -7.435 -3.785 1.00 1.28 N ATOM 1890 CA ALA A 651 17.113 -7.464 -2.410 1.00 1.33 C ATOM 1891 C ALA A 651 15.630 -7.906 -2.312 1.00 1.38 C ATOM 1892 O ALA A 651 15.221 -8.452 -1.289 1.00 1.52 O ATOM 1893 CB ALA A 651 17.317 -6.088 -1.757 1.00 1.27 C ATOM 0 H ALA A 651 17.981 -6.520 -4.059 1.00 1.28 H new ATOM 0 HA ALA A 651 17.684 -8.220 -1.871 1.00 1.33 H new ATOM 0 HB1 ALA A 651 16.938 -6.110 -0.735 1.00 1.27 H new ATOM 0 HB2 ALA A 651 18.379 -5.845 -1.745 1.00 1.27 H new ATOM 0 HB3 ALA A 651 16.778 -5.331 -2.327 1.00 1.27 H new ATOM 1899 N PHE A 652 14.826 -7.721 -3.366 1.00 1.33 N ATOM 1900 CA PHE A 652 13.477 -8.291 -3.504 1.00 1.43 C ATOM 1901 C PHE A 652 13.434 -9.656 -4.227 1.00 1.62 C ATOM 1902 O PHE A 652 12.473 -10.405 -4.066 1.00 1.77 O ATOM 1903 CB PHE A 652 12.566 -7.261 -4.191 1.00 1.34 C ATOM 1904 CG PHE A 652 11.890 -6.280 -3.244 1.00 1.26 C ATOM 1905 CD1 PHE A 652 12.620 -5.221 -2.670 1.00 2.03 C ATOM 1906 CD2 PHE A 652 10.522 -6.421 -2.941 1.00 2.44 C ATOM 1907 CE1 PHE A 652 11.988 -4.306 -1.809 1.00 2.01 C ATOM 1908 CE2 PHE A 652 9.890 -5.510 -2.072 1.00 2.49 C ATOM 1909 CZ PHE A 652 10.624 -4.453 -1.505 1.00 1.33 C ATOM 0 H PHE A 652 15.102 -7.156 -4.169 1.00 1.33 H new ATOM 0 HA PHE A 652 13.114 -8.504 -2.499 1.00 1.43 H new ATOM 0 HB2 PHE A 652 13.157 -6.699 -4.914 1.00 1.34 H new ATOM 0 HB3 PHE A 652 11.797 -7.793 -4.752 1.00 1.34 H new ATOM 0 HD1 PHE A 652 13.671 -5.111 -2.892 1.00 2.03 H new ATOM 0 HD2 PHE A 652 9.955 -7.231 -3.376 1.00 2.44 H new ATOM 0 HE1 PHE A 652 12.551 -3.490 -1.381 1.00 2.01 H new ATOM 0 HE2 PHE A 652 8.841 -5.623 -1.841 1.00 2.49 H new ATOM 0 HZ PHE A 652 10.140 -3.756 -0.837 1.00 1.33 H new ATOM 1919 N GLU A 653 14.450 -10.040 -5.002 1.00 1.70 N ATOM 1920 CA GLU A 653 14.529 -11.362 -5.663 1.00 1.91 C ATOM 1921 C GLU A 653 15.019 -12.473 -4.721 1.00 2.06 C ATOM 1922 O GLU A 653 14.571 -13.616 -4.814 1.00 2.26 O ATOM 1923 CB GLU A 653 15.441 -11.286 -6.900 1.00 2.02 C ATOM 1924 CG GLU A 653 14.944 -10.336 -7.997 1.00 1.81 C ATOM 1925 CD GLU A 653 13.752 -10.892 -8.804 1.00 2.50 C ATOM 1926 OE1 GLU A 653 12.749 -11.357 -8.212 1.00 3.81 O ATOM 1927 OE2 GLU A 653 13.804 -10.859 -10.059 1.00 2.66 O ATOM 0 H GLU A 653 15.254 -9.442 -5.196 1.00 1.70 H new ATOM 0 HA GLU A 653 13.514 -11.622 -5.965 1.00 1.91 H new ATOM 0 HB2 GLU A 653 16.435 -10.969 -6.584 1.00 2.02 H new ATOM 0 HB3 GLU A 653 15.545 -12.286 -7.322 1.00 2.02 H new ATOM 0 HG2 GLU A 653 14.653 -9.389 -7.542 1.00 1.81 H new ATOM 0 HG3 GLU A 653 15.766 -10.122 -8.680 1.00 1.81 H new ATOM 1934 N THR A 654 15.872 -12.129 -3.753 1.00 2.03 N ATOM 1935 CA THR A 654 16.433 -13.055 -2.742 1.00 2.25 C ATOM 1936 C THR A 654 15.374 -13.554 -1.748 1.00 2.34 C ATOM 1937 O THR A 654 15.551 -14.562 -1.062 1.00 2.76 O ATOM 1938 CB THR A 654 17.607 -12.371 -2.025 1.00 2.22 C ATOM 1939 OG1 THR A 654 18.287 -13.230 -1.140 1.00 2.58 O ATOM 1940 CG2 THR A 654 17.163 -11.176 -1.191 1.00 1.97 C ATOM 0 H THR A 654 16.207 -11.172 -3.640 1.00 2.03 H new ATOM 0 HA THR A 654 16.796 -13.945 -3.257 1.00 2.25 H new ATOM 0 HB THR A 654 18.264 -12.061 -2.838 1.00 2.22 H new ATOM 0 HG1 THR A 654 19.023 -12.744 -0.714 1.00 2.58 H new ATOM 0 HG21 THR A 654 18.030 -10.729 -0.705 1.00 1.97 H new ATOM 0 HG22 THR A 654 16.688 -10.438 -1.837 1.00 1.97 H new ATOM 0 HG23 THR A 654 16.452 -11.505 -0.433 1.00 1.97 H new ATOM 1948 N VAL A 655 14.254 -12.834 -1.687 1.00 2.08 N ATOM 1949 CA VAL A 655 13.089 -13.066 -0.818 1.00 2.21 C ATOM 1950 C VAL A 655 11.854 -13.555 -1.586 1.00 2.31 C ATOM 1951 O VAL A 655 11.029 -14.289 -1.044 1.00 2.55 O ATOM 1952 CB VAL A 655 12.807 -11.779 -0.027 1.00 2.14 C ATOM 1953 CG1 VAL A 655 12.424 -10.604 -0.916 1.00 1.93 C ATOM 1954 CG2 VAL A 655 11.756 -12.002 1.061 1.00 2.41 C ATOM 0 H VAL A 655 14.123 -12.016 -2.282 1.00 2.08 H new ATOM 0 HA VAL A 655 13.325 -13.876 -0.128 1.00 2.21 H new ATOM 0 HB VAL A 655 13.748 -11.515 0.455 1.00 2.14 H new ATOM 0 HG11 VAL A 655 12.238 -9.726 -0.298 1.00 1.93 H new ATOM 0 HG12 VAL A 655 13.237 -10.393 -1.611 1.00 1.93 H new ATOM 0 HG13 VAL A 655 11.523 -10.851 -1.477 1.00 1.93 H new ATOM 0 HG21 VAL A 655 11.584 -11.069 1.598 1.00 2.41 H new ATOM 0 HG22 VAL A 655 10.824 -12.334 0.604 1.00 2.41 H new ATOM 0 HG23 VAL A 655 12.109 -12.762 1.758 1.00 2.41 H new