USER MOD reduce.3.24.130724 H: found=0, std=0, add=1140, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1139 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 559 LYS NZ :NH3+ -110:sc= 0.168 (180deg=0) USER MOD Set 1.2: A 634 SER OG : rot 115:sc= 0.543 USER MOD Set 1.3: A 637 ASN : amide:sc= 0.383 X(o=1.1,f=0.79) USER MOD Set 2.1: A 593 THR OG1 : rot 180:sc= -0.0166 USER MOD Set 2.2: A 596 ASN : amide:sc= -0.538 K(o=-0.62,f=-2.2!) USER MOD Set 2.3: A 599 MET CE :methyl -161:sc= -0.0632 (180deg=-0.445) USER MOD Set 3.1: A 580 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 632 SER OG : rot 59:sc= 0.625 USER MOD Single : A 534 ASN : amide:sc= 0.327 K(o=0.33,f=-3.8!) USER MOD Single : A 535 CYS SG : rot 147:sc= 0.232 USER MOD Single : A 537 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 SER OG : rot 57:sc= 1.21 USER MOD Single : A 542 MET CE :methyl -151:sc= 0 (180deg=-1.55) 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 99:sc= 1.26 USER MOD Single : A 556 MET CE :methyl -156:sc= -0.458 (180deg=-1.14) USER MOD Single : A 558 THR OG1 : rot 180:sc= 0 USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 GLN : amide:sc= -0.205 K(o=-0.21,f=0.62) USER MOD Single : A 570 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 THR OG1 : rot 180:sc= 0.0581 USER MOD Single : A 579 LYS NZ :NH3+ -145:sc= 0.195 (180deg=0.000557) USER MOD Single : A 581 MET CE :methyl -132:sc=-0.00949 (180deg=-1.45) USER MOD Single : A 582 TYR OH : rot 180:sc= -0.243 USER MOD Single : A 585 GLN : amide:sc= 0.019 X(o=0.019,f=0) USER MOD Single : A 586 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 590 SER OG : rot 120:sc= 1.26 USER MOD Single : A 594 LYS NZ :NH3+ -151:sc= 2.23 (180deg=1.11) USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 600 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 96:sc= 1.08 USER MOD Single : A 606 TYR OH : rot -19:sc= 1.23 USER MOD Single : A 611 CYS SG : rot 180:sc= 0.245 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= -0.168 USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 628 CYS SG : rot 18:sc= -0.371 USER MOD Single : A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 639 ASN : amide:sc= 0.89 K(o=0.89,f=-0.64) USER MOD Single : A 645 TYR OH : rot 172:sc= 0 USER MOD Single : A 647 MET CE :methyl -115:sc= -0.177 (180deg=-0.225) USER MOD Single : A 648 MET CE :methyl -177:sc= -0.0277 (180deg=-0.059) USER MOD Single : A 654 THR OG1 : rot 180:sc= 0 USER MOD Single : A 665 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 666 LYS NZ :NH3+ -133:sc= 0.805 (180deg=0.0244) USER MOD Single : A 667 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 668 SER OG : rot 180:sc= 0.116 USER MOD Single : A 672 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 534 6.488 16.139 1.353 1.00 5.13 N ATOM 2 CA ASN A 534 6.088 14.834 0.809 1.00 4.94 C ATOM 3 C ASN A 534 6.099 13.684 1.840 1.00 3.70 C ATOM 4 O ASN A 534 6.588 13.825 2.963 1.00 3.85 O ATOM 5 CB ASN A 534 6.960 14.549 -0.440 1.00 6.35 C ATOM 6 CG ASN A 534 6.281 13.680 -1.494 1.00 7.44 C ATOM 7 OD1 ASN A 534 5.171 13.195 -1.330 1.00 7.54 O ATOM 8 ND2 ASN A 534 6.914 13.465 -2.620 1.00 8.86 N ATOM 0 HA ASN A 534 5.038 14.884 0.520 1.00 4.94 H new ATOM 0 HB2 ASN A 534 7.243 15.498 -0.896 1.00 6.35 H new ATOM 0 HB3 ASN A 534 7.881 14.061 -0.122 1.00 6.35 H new ATOM 0 HD21 ASN A 534 6.480 12.898 -3.349 1.00 8.86 H new ATOM 0 HD22 ASN A 534 7.841 13.864 -2.768 1.00 8.86 H new ATOM 15 N CYS A 535 5.579 12.522 1.437 1.00 3.04 N ATOM 16 CA CYS A 535 5.286 11.336 2.257 1.00 2.25 C ATOM 17 C CYS A 535 6.515 10.509 2.722 1.00 1.76 C ATOM 18 O CYS A 535 6.458 9.274 2.753 1.00 1.67 O ATOM 19 CB CYS A 535 4.250 10.499 1.487 1.00 2.91 C ATOM 20 SG CYS A 535 2.699 11.439 1.372 1.00 3.82 S ATOM 0 H CYS A 535 5.333 12.371 0.459 1.00 3.04 H new ATOM 0 HA CYS A 535 4.886 11.677 3.212 1.00 2.25 H new ATOM 0 HB2 CYS A 535 4.622 10.263 0.490 1.00 2.91 H new ATOM 0 HB3 CYS A 535 4.079 9.550 1.996 1.00 2.91 H new ATOM 0 HG CYS A 535 2.101 11.155 0.253 1.00 3.82 H new ATOM 26 N ARG A 536 7.623 11.179 3.084 1.00 1.80 N ATOM 27 CA ARG A 536 8.904 10.590 3.533 1.00 1.88 C ATOM 28 C ARG A 536 8.725 9.550 4.638 1.00 1.79 C ATOM 29 O ARG A 536 9.181 8.417 4.485 1.00 1.80 O ATOM 30 CB ARG A 536 9.852 11.696 4.042 1.00 2.48 C ATOM 31 CG ARG A 536 10.284 12.745 3.007 1.00 3.24 C ATOM 32 CD ARG A 536 11.243 13.731 3.691 1.00 3.58 C ATOM 33 NE ARG A 536 11.629 14.845 2.810 1.00 4.49 N ATOM 34 CZ ARG A 536 12.324 15.908 3.179 1.00 5.31 C ATOM 35 NH1 ARG A 536 12.777 16.075 4.387 1.00 5.54 N ATOM 36 NH2 ARG A 536 12.593 16.866 2.345 1.00 6.48 N ATOM 0 H ARG A 536 7.654 12.198 3.072 1.00 1.80 H new ATOM 0 HA ARG A 536 9.331 10.087 2.665 1.00 1.88 H new ATOM 0 HB2 ARG A 536 9.365 12.211 4.870 1.00 2.48 H new ATOM 0 HB3 ARG A 536 10.747 11.222 4.444 1.00 2.48 H new ATOM 0 HG2 ARG A 536 10.774 12.264 2.161 1.00 3.24 H new ATOM 0 HG3 ARG A 536 9.414 13.272 2.614 1.00 3.24 H new ATOM 0 HD2 ARG A 536 10.770 14.129 4.589 1.00 3.58 H new ATOM 0 HD3 ARG A 536 12.138 13.199 4.012 1.00 3.58 H new ATOM 0 HE ARG A 536 11.336 14.793 1.834 1.00 4.49 H new ATOM 0 HH11 ARG A 536 12.601 15.367 5.100 1.00 5.54 H new ATOM 0 HH12 ARG A 536 13.308 16.914 4.621 1.00 5.54 H new ATOM 0 HH21 ARG A 536 12.266 16.809 1.380 1.00 6.48 H new ATOM 0 HH22 ARG A 536 13.131 17.675 2.654 1.00 6.48 H new ATOM 50 N LYS A 537 8.047 9.919 5.726 1.00 1.84 N ATOM 51 CA LYS A 537 7.759 9.047 6.863 1.00 1.88 C ATOM 52 C LYS A 537 6.630 8.051 6.584 1.00 1.90 C ATOM 53 O LYS A 537 6.607 6.988 7.194 1.00 1.97 O ATOM 54 CB LYS A 537 7.484 9.958 8.061 1.00 2.03 C ATOM 55 CG LYS A 537 7.168 9.180 9.339 1.00 2.15 C ATOM 56 CD LYS A 537 7.123 10.166 10.501 1.00 2.92 C ATOM 57 CE LYS A 537 6.753 9.448 11.800 1.00 3.36 C ATOM 58 NZ LYS A 537 5.289 9.319 11.987 1.00 4.32 N ATOM 0 H LYS A 537 7.673 10.861 5.843 1.00 1.84 H new ATOM 0 HA LYS A 537 8.614 8.404 7.073 1.00 1.88 H new ATOM 0 HB2 LYS A 537 8.352 10.594 8.234 1.00 2.03 H new ATOM 0 HB3 LYS A 537 6.648 10.616 7.826 1.00 2.03 H new ATOM 0 HG2 LYS A 537 6.213 8.663 9.243 1.00 2.15 H new ATOM 0 HG3 LYS A 537 7.927 8.418 9.517 1.00 2.15 H new ATOM 0 HD2 LYS A 537 8.092 10.652 10.611 1.00 2.92 H new ATOM 0 HD3 LYS A 537 6.395 10.950 10.292 1.00 2.92 H new ATOM 0 HE2 LYS A 537 7.204 8.456 11.803 1.00 3.36 H new ATOM 0 HE3 LYS A 537 7.176 9.993 12.644 1.00 3.36 H new ATOM 0 HZ1 LYS A 537 5.095 8.826 12.882 1.00 4.32 H new ATOM 0 HZ2 LYS A 537 4.858 10.265 12.013 1.00 4.32 H new ATOM 0 HZ3 LYS A 537 4.885 8.776 11.198 1.00 4.32 H new ATOM 72 N LEU A 538 5.713 8.334 5.656 1.00 1.89 N ATOM 73 CA LEU A 538 4.491 7.542 5.483 1.00 2.00 C ATOM 74 C LEU A 538 4.738 6.268 4.668 1.00 1.83 C ATOM 75 O LEU A 538 4.253 5.202 5.041 1.00 1.99 O ATOM 76 CB LEU A 538 3.377 8.410 4.869 1.00 2.15 C ATOM 77 CG LEU A 538 1.976 7.820 5.102 1.00 2.14 C ATOM 78 CD1 LEU A 538 1.513 8.023 6.546 1.00 2.32 C ATOM 79 CD2 LEU A 538 0.963 8.475 4.166 1.00 3.78 C ATOM 0 H LEU A 538 5.795 9.115 5.005 1.00 1.89 H new ATOM 0 HA LEU A 538 4.162 7.212 6.468 1.00 2.00 H new ATOM 0 HB2 LEU A 538 3.422 9.411 5.298 1.00 2.15 H new ATOM 0 HB3 LEU A 538 3.550 8.514 3.798 1.00 2.15 H new ATOM 0 HG LEU A 538 2.038 6.751 4.899 1.00 2.14 H new ATOM 0 HD11 LEU A 538 0.519 7.593 6.673 1.00 2.32 H new ATOM 0 HD12 LEU A 538 2.210 7.531 7.224 1.00 2.32 H new ATOM 0 HD13 LEU A 538 1.479 9.089 6.771 1.00 2.32 H new ATOM 0 HD21 LEU A 538 -0.024 8.048 4.342 1.00 3.78 H new ATOM 0 HD22 LEU A 538 0.933 9.548 4.356 1.00 3.78 H new ATOM 0 HD23 LEU A 538 1.256 8.298 3.131 1.00 3.78 H new ATOM 91 N VAL A 539 5.554 6.347 3.611 1.00 1.55 N ATOM 92 CA VAL A 539 6.060 5.145 2.922 1.00 1.33 C ATOM 93 C VAL A 539 7.058 4.398 3.823 1.00 1.46 C ATOM 94 O VAL A 539 7.025 3.175 3.912 1.00 1.51 O ATOM 95 CB VAL A 539 6.591 5.504 1.520 1.00 1.07 C ATOM 96 CG1 VAL A 539 8.091 5.792 1.502 1.00 1.04 C ATOM 97 CG2 VAL A 539 6.243 4.392 0.530 1.00 0.97 C ATOM 0 H VAL A 539 5.880 7.227 3.211 1.00 1.55 H new ATOM 0 HA VAL A 539 5.247 4.442 2.743 1.00 1.33 H new ATOM 0 HB VAL A 539 6.099 6.429 1.220 1.00 1.07 H new ATOM 0 HG11 VAL A 539 8.402 6.038 0.487 1.00 1.04 H new ATOM 0 HG12 VAL A 539 8.308 6.632 2.162 1.00 1.04 H new ATOM 0 HG13 VAL A 539 8.635 4.912 1.845 1.00 1.04 H new ATOM 0 HG21 VAL A 539 6.622 4.653 -0.458 1.00 0.97 H new ATOM 0 HG22 VAL A 539 6.698 3.457 0.858 1.00 0.97 H new ATOM 0 HG23 VAL A 539 5.161 4.272 0.484 1.00 0.97 H new ATOM 107 N ALA A 540 7.866 5.126 4.605 1.00 1.61 N ATOM 108 CA ALA A 540 8.768 4.551 5.604 1.00 1.89 C ATOM 109 C ALA A 540 8.048 3.941 6.825 1.00 2.27 C ATOM 110 O ALA A 540 8.686 3.263 7.635 1.00 2.50 O ATOM 111 CB ALA A 540 9.747 5.638 6.050 1.00 1.98 C ATOM 0 H ALA A 540 7.910 6.144 4.559 1.00 1.61 H new ATOM 0 HA ALA A 540 9.289 3.717 5.133 1.00 1.89 H new ATOM 0 HB1 ALA A 540 10.429 5.230 6.796 1.00 1.98 H new ATOM 0 HB2 ALA A 540 10.317 5.989 5.190 1.00 1.98 H new ATOM 0 HB3 ALA A 540 9.193 6.471 6.483 1.00 1.98 H new ATOM 117 N SER A 541 6.735 4.150 6.987 1.00 2.40 N ATOM 118 CA SER A 541 5.948 3.585 8.080 1.00 2.75 C ATOM 119 C SER A 541 5.567 2.121 7.809 1.00 2.68 C ATOM 120 O SER A 541 5.174 1.396 8.726 1.00 2.91 O ATOM 121 CB SER A 541 4.697 4.420 8.298 1.00 2.96 C ATOM 122 OG SER A 541 4.962 5.714 8.812 1.00 3.85 O ATOM 0 H SER A 541 6.185 4.726 6.350 1.00 2.40 H new ATOM 0 HA SER A 541 6.562 3.604 8.981 1.00 2.75 H new ATOM 0 HB2 SER A 541 4.165 4.516 7.352 1.00 2.96 H new ATOM 0 HB3 SER A 541 4.034 3.894 8.985 1.00 2.96 H new ATOM 0 HG SER A 541 5.575 6.186 8.210 1.00 3.85 H new ATOM 128 N MET A 542 5.713 1.679 6.556 1.00 2.39 N ATOM 129 CA MET A 542 5.423 0.335 6.068 1.00 2.34 C ATOM 130 C MET A 542 6.403 -0.682 6.692 1.00 2.48 C ATOM 131 O MET A 542 7.603 -0.388 6.775 1.00 2.49 O ATOM 132 CB MET A 542 5.532 0.392 4.532 1.00 2.03 C ATOM 133 CG MET A 542 4.672 -0.601 3.761 1.00 1.55 C ATOM 134 SD MET A 542 5.349 -2.271 3.649 1.00 2.26 S ATOM 135 CE MET A 542 4.717 -2.709 2.013 1.00 1.52 C ATOM 0 H MET A 542 6.057 2.289 5.815 1.00 2.39 H new ATOM 0 HA MET A 542 4.424 0.004 6.353 1.00 2.34 H new ATOM 0 HB2 MET A 542 5.269 1.398 4.207 1.00 2.03 H new ATOM 0 HB3 MET A 542 6.574 0.230 4.256 1.00 2.03 H new ATOM 0 HG2 MET A 542 3.692 -0.654 4.234 1.00 1.55 H new ATOM 0 HG3 MET A 542 4.519 -0.219 2.752 1.00 1.55 H new ATOM 0 HE1 MET A 542 4.564 -3.787 1.959 1.00 1.52 H new ATOM 0 HE2 MET A 542 3.769 -2.199 1.840 1.00 1.52 H new ATOM 0 HE3 MET A 542 5.436 -2.406 1.252 1.00 1.52 H new ATOM 145 N PRO A 543 5.965 -1.877 7.137 1.00 2.72 N ATOM 146 CA PRO A 543 6.833 -2.786 7.898 1.00 3.15 C ATOM 147 C PRO A 543 7.979 -3.393 7.070 1.00 3.01 C ATOM 148 O PRO A 543 9.018 -3.734 7.631 1.00 3.47 O ATOM 149 CB PRO A 543 5.891 -3.848 8.477 1.00 3.49 C ATOM 150 CG PRO A 543 4.703 -3.861 7.515 1.00 3.02 C ATOM 151 CD PRO A 543 4.610 -2.409 7.044 1.00 2.76 C ATOM 0 HA PRO A 543 7.364 -2.245 8.681 1.00 3.15 H new ATOM 0 HB2 PRO A 543 6.374 -4.824 8.527 1.00 3.49 H new ATOM 0 HB3 PRO A 543 5.580 -3.594 9.490 1.00 3.49 H new ATOM 0 HG2 PRO A 543 4.869 -4.544 6.682 1.00 3.02 H new ATOM 0 HG3 PRO A 543 3.787 -4.181 8.012 1.00 3.02 H new ATOM 0 HD2 PRO A 543 4.236 -2.352 6.022 1.00 2.76 H new ATOM 0 HD3 PRO A 543 3.922 -1.838 7.667 1.00 2.76 H new ATOM 159 N LEU A 544 7.846 -3.455 5.741 1.00 2.53 N ATOM 160 CA LEU A 544 8.914 -3.873 4.820 1.00 2.60 C ATOM 161 C LEU A 544 10.003 -2.798 4.655 1.00 2.63 C ATOM 162 O LEU A 544 11.172 -3.114 4.433 1.00 3.16 O ATOM 163 CB LEU A 544 8.237 -4.236 3.486 1.00 2.27 C ATOM 164 CG LEU A 544 9.151 -4.832 2.400 1.00 2.49 C ATOM 165 CD1 LEU A 544 8.315 -5.763 1.525 1.00 2.74 C ATOM 166 CD2 LEU A 544 9.699 -3.741 1.470 1.00 3.04 C ATOM 0 H LEU A 544 6.978 -3.212 5.264 1.00 2.53 H new ATOM 0 HA LEU A 544 9.444 -4.737 5.222 1.00 2.60 H new ATOM 0 HB2 LEU A 544 7.438 -4.949 3.690 1.00 2.27 H new ATOM 0 HB3 LEU A 544 7.768 -3.338 3.084 1.00 2.27 H new ATOM 0 HG LEU A 544 9.974 -5.345 2.897 1.00 2.49 H new ATOM 0 HD11 LEU A 544 8.945 -6.196 0.748 1.00 2.74 H new ATOM 0 HD12 LEU A 544 7.896 -6.560 2.139 1.00 2.74 H new ATOM 0 HD13 LEU A 544 7.506 -5.198 1.062 1.00 2.74 H new ATOM 0 HD21 LEU A 544 10.340 -4.195 0.715 1.00 3.04 H new ATOM 0 HD22 LEU A 544 8.870 -3.229 0.982 1.00 3.04 H new ATOM 0 HD23 LEU A 544 10.276 -3.023 2.052 1.00 3.04 H new ATOM 178 N PHE A 545 9.644 -1.518 4.793 1.00 2.22 N ATOM 179 CA PHE A 545 10.544 -0.381 4.555 1.00 2.06 C ATOM 180 C PHE A 545 11.460 -0.087 5.758 1.00 2.21 C ATOM 181 O PHE A 545 12.364 0.737 5.667 1.00 1.89 O ATOM 182 CB PHE A 545 9.731 0.859 4.154 1.00 1.85 C ATOM 183 CG PHE A 545 9.246 0.937 2.711 1.00 1.51 C ATOM 184 CD1 PHE A 545 8.402 -0.044 2.149 1.00 2.09 C ATOM 185 CD2 PHE A 545 9.564 2.080 1.951 1.00 2.39 C ATOM 186 CE1 PHE A 545 7.799 0.173 0.898 1.00 1.99 C ATOM 187 CE2 PHE A 545 8.991 2.282 0.686 1.00 2.28 C ATOM 188 CZ PHE A 545 8.067 1.354 0.186 1.00 1.14 C ATOM 0 H PHE A 545 8.706 -1.236 5.078 1.00 2.22 H new ATOM 0 HA PHE A 545 11.205 -0.652 3.732 1.00 2.06 H new ATOM 0 HB2 PHE A 545 8.860 0.918 4.807 1.00 1.85 H new ATOM 0 HB3 PHE A 545 10.339 1.741 4.354 1.00 1.85 H new ATOM 0 HD1 PHE A 545 8.219 -0.965 2.682 1.00 2.09 H new ATOM 0 HD2 PHE A 545 10.256 2.809 2.346 1.00 2.39 H new ATOM 0 HE1 PHE A 545 7.130 -0.567 0.485 1.00 1.99 H new ATOM 0 HE2 PHE A 545 9.261 3.148 0.100 1.00 2.28 H new ATOM 0 HZ PHE A 545 7.560 1.547 -0.748 1.00 1.14 H new ATOM 198 N ALA A 546 11.286 -0.819 6.861 1.00 2.68 N ATOM 199 CA ALA A 546 12.061 -0.749 8.102 1.00 2.84 C ATOM 200 C ALA A 546 13.584 -0.849 7.902 1.00 2.60 C ATOM 201 O ALA A 546 14.387 -0.353 8.697 1.00 2.56 O ATOM 202 CB ALA A 546 11.624 -1.999 8.860 1.00 3.26 C ATOM 0 H ALA A 546 10.550 -1.524 6.914 1.00 2.68 H new ATOM 0 HA ALA A 546 11.883 0.207 8.595 1.00 2.84 H new ATOM 0 HB1 ALA A 546 12.148 -2.048 9.815 1.00 3.26 H new ATOM 0 HB2 ALA A 546 10.549 -1.960 9.038 1.00 3.26 H new ATOM 0 HB3 ALA A 546 11.862 -2.884 8.270 1.00 3.26 H new ATOM 208 N ASN A 547 13.940 -1.570 6.844 1.00 2.53 N ATOM 209 CA ASN A 547 15.262 -2.046 6.480 1.00 2.47 C ATOM 210 C ASN A 547 15.718 -1.466 5.118 1.00 2.16 C ATOM 211 O ASN A 547 16.775 -1.844 4.607 1.00 2.27 O ATOM 212 CB ASN A 547 15.150 -3.584 6.513 1.00 2.95 C ATOM 213 CG ASN A 547 15.761 -4.190 7.749 1.00 3.51 C ATOM 214 OD1 ASN A 547 16.937 -4.522 7.799 1.00 3.89 O ATOM 215 ND2 ASN A 547 14.996 -4.354 8.791 1.00 3.97 N ATOM 0 H ASN A 547 13.243 -1.861 6.159 1.00 2.53 H new ATOM 0 HA ASN A 547 16.041 -1.713 7.166 1.00 2.47 H new ATOM 0 HB2 ASN A 547 14.099 -3.868 6.457 1.00 2.95 H new ATOM 0 HB3 ASN A 547 15.640 -3.998 5.631 1.00 2.95 H new ATOM 0 HD21 ASN A 547 15.378 -4.758 9.646 1.00 3.97 H new ATOM 0 HD22 ASN A 547 14.015 -4.078 8.752 1.00 3.97 H new ATOM 222 N ALA A 548 14.922 -0.555 4.540 1.00 1.87 N ATOM 223 CA ALA A 548 15.131 0.016 3.202 1.00 1.62 C ATOM 224 C ALA A 548 16.313 1.001 3.095 1.00 1.44 C ATOM 225 O ALA A 548 16.673 1.687 4.057 1.00 1.36 O ATOM 226 CB ALA A 548 13.846 0.717 2.738 1.00 1.41 C ATOM 0 H ALA A 548 14.092 -0.185 5.003 1.00 1.87 H new ATOM 0 HA ALA A 548 15.385 -0.827 2.559 1.00 1.62 H new ATOM 0 HB1 ALA A 548 14.001 1.141 1.746 1.00 1.41 H new ATOM 0 HB2 ALA A 548 13.030 -0.005 2.701 1.00 1.41 H new ATOM 0 HB3 ALA A 548 13.593 1.514 3.437 1.00 1.41 H new ATOM 232 N ASP A 549 16.848 1.134 1.877 1.00 1.43 N ATOM 233 CA ASP A 549 17.799 2.184 1.487 1.00 1.31 C ATOM 234 C ASP A 549 17.081 3.556 1.379 1.00 1.10 C ATOM 235 O ASP A 549 16.154 3.679 0.572 1.00 0.96 O ATOM 236 CB ASP A 549 18.450 1.772 0.149 1.00 1.53 C ATOM 237 CG ASP A 549 19.655 2.630 -0.254 1.00 1.70 C ATOM 238 OD1 ASP A 549 19.625 3.866 -0.072 1.00 1.81 O ATOM 239 OD2 ASP A 549 20.672 2.076 -0.741 1.00 2.90 O ATOM 0 H ASP A 549 16.626 0.497 1.112 1.00 1.43 H new ATOM 0 HA ASP A 549 18.576 2.294 2.244 1.00 1.31 H new ATOM 0 HB2 ASP A 549 18.766 0.731 0.217 1.00 1.53 H new ATOM 0 HB3 ASP A 549 17.699 1.827 -0.639 1.00 1.53 H new ATOM 244 N PRO A 550 17.491 4.608 2.119 1.00 1.09 N ATOM 245 CA PRO A 550 16.805 5.911 2.192 1.00 0.98 C ATOM 246 C PRO A 550 16.661 6.648 0.849 1.00 1.00 C ATOM 247 O PRO A 550 15.858 7.575 0.725 1.00 0.99 O ATOM 248 CB PRO A 550 17.637 6.749 3.172 1.00 1.06 C ATOM 249 CG PRO A 550 19.025 6.128 3.051 1.00 1.20 C ATOM 250 CD PRO A 550 18.672 4.651 2.960 1.00 1.25 C ATOM 0 HA PRO A 550 15.775 5.752 2.512 1.00 0.98 H new ATOM 0 HB2 PRO A 550 17.641 7.805 2.900 1.00 1.06 H new ATOM 0 HB3 PRO A 550 17.251 6.683 4.189 1.00 1.06 H new ATOM 0 HG2 PRO A 550 19.559 6.480 2.169 1.00 1.20 H new ATOM 0 HG3 PRO A 550 19.653 6.350 3.914 1.00 1.20 H new ATOM 0 HD2 PRO A 550 19.489 4.074 2.526 1.00 1.25 H new ATOM 0 HD3 PRO A 550 18.473 4.230 3.945 1.00 1.25 H new ATOM 258 N ASN A 551 17.405 6.238 -0.177 1.00 1.14 N ATOM 259 CA ASN A 551 17.310 6.808 -1.523 1.00 1.24 C ATOM 260 C ASN A 551 16.200 6.118 -2.330 1.00 1.12 C ATOM 261 O ASN A 551 15.409 6.791 -2.987 1.00 1.07 O ATOM 262 CB ASN A 551 18.676 6.700 -2.222 1.00 1.58 C ATOM 263 CG ASN A 551 19.813 7.381 -1.482 1.00 1.73 C ATOM 264 OD1 ASN A 551 20.819 6.773 -1.138 1.00 3.22 O ATOM 265 ND2 ASN A 551 19.736 8.665 -1.238 1.00 1.66 N ATOM 0 H ASN A 551 18.098 5.494 -0.098 1.00 1.14 H new ATOM 0 HA ASN A 551 17.043 7.862 -1.452 1.00 1.24 H new ATOM 0 HB2 ASN A 551 18.922 5.646 -2.351 1.00 1.58 H new ATOM 0 HB3 ASN A 551 18.596 7.133 -3.219 1.00 1.58 H new ATOM 0 HD21 ASN A 551 20.506 9.142 -0.769 1.00 1.66 H new ATOM 0 HD22 ASN A 551 18.906 9.188 -1.517 1.00 1.66 H new ATOM 272 N PHE A 552 16.075 4.794 -2.197 1.00 1.15 N ATOM 273 CA PHE A 552 15.017 3.990 -2.825 1.00 1.13 C ATOM 274 C PHE A 552 13.631 4.439 -2.356 1.00 0.93 C ATOM 275 O PHE A 552 12.755 4.732 -3.172 1.00 0.88 O ATOM 276 CB PHE A 552 15.251 2.502 -2.505 1.00 1.30 C ATOM 277 CG PHE A 552 14.044 1.604 -2.706 1.00 1.32 C ATOM 278 CD1 PHE A 552 13.484 1.435 -3.985 1.00 1.64 C ATOM 279 CD2 PHE A 552 13.449 0.972 -1.596 1.00 2.73 C ATOM 280 CE1 PHE A 552 12.338 0.639 -4.155 1.00 1.71 C ATOM 281 CE2 PHE A 552 12.309 0.168 -1.765 1.00 2.80 C ATOM 282 CZ PHE A 552 11.759 0.000 -3.046 1.00 1.52 C ATOM 0 H PHE A 552 16.720 4.237 -1.637 1.00 1.15 H new ATOM 0 HA PHE A 552 15.056 4.134 -3.905 1.00 1.13 H new ATOM 0 HB2 PHE A 552 16.065 2.135 -3.130 1.00 1.30 H new ATOM 0 HB3 PHE A 552 15.580 2.416 -1.469 1.00 1.30 H new ATOM 0 HD1 PHE A 552 13.936 1.918 -4.839 1.00 1.64 H new ATOM 0 HD2 PHE A 552 13.871 1.106 -0.611 1.00 2.73 H new ATOM 0 HE1 PHE A 552 11.903 0.519 -5.136 1.00 1.71 H new ATOM 0 HE2 PHE A 552 11.858 -0.319 -0.913 1.00 2.80 H new ATOM 0 HZ PHE A 552 10.887 -0.623 -3.179 1.00 1.52 H new ATOM 292 N VAL A 553 13.458 4.563 -1.036 1.00 0.86 N ATOM 293 CA VAL A 553 12.168 4.945 -0.430 1.00 0.81 C ATOM 294 C VAL A 553 11.719 6.342 -0.873 1.00 0.71 C ATOM 295 O VAL A 553 10.534 6.606 -1.042 1.00 0.72 O ATOM 296 CB VAL A 553 12.203 4.856 1.104 1.00 0.91 C ATOM 297 CG1 VAL A 553 12.800 3.520 1.526 1.00 1.49 C ATOM 298 CG2 VAL A 553 13.044 5.907 1.822 1.00 1.41 C ATOM 0 H VAL A 553 14.201 4.403 -0.356 1.00 0.86 H new ATOM 0 HA VAL A 553 11.435 4.224 -0.792 1.00 0.81 H new ATOM 0 HB VAL A 553 11.161 5.004 1.387 1.00 0.91 H new ATOM 0 HG11 VAL A 553 12.824 3.460 2.614 1.00 1.49 H new ATOM 0 HG12 VAL A 553 12.190 2.708 1.131 1.00 1.49 H new ATOM 0 HG13 VAL A 553 13.814 3.435 1.136 1.00 1.49 H new ATOM 0 HG21 VAL A 553 12.991 5.742 2.898 1.00 1.41 H new ATOM 0 HG22 VAL A 553 14.080 5.830 1.494 1.00 1.41 H new ATOM 0 HG23 VAL A 553 12.662 6.901 1.588 1.00 1.41 H new ATOM 308 N THR A 554 12.695 7.220 -1.105 1.00 0.72 N ATOM 309 CA THR A 554 12.525 8.619 -1.512 1.00 0.80 C ATOM 310 C THR A 554 12.265 8.774 -3.010 1.00 0.82 C ATOM 311 O THR A 554 11.415 9.577 -3.403 1.00 0.88 O ATOM 312 CB THR A 554 13.762 9.436 -1.117 1.00 0.97 C ATOM 313 OG1 THR A 554 13.942 9.399 0.281 1.00 1.01 O ATOM 314 CG2 THR A 554 13.613 10.899 -1.515 1.00 1.17 C ATOM 0 H THR A 554 13.678 6.963 -1.010 1.00 0.72 H new ATOM 0 HA THR A 554 11.644 8.994 -0.990 1.00 0.80 H new ATOM 0 HB THR A 554 14.614 8.996 -1.636 1.00 0.97 H new ATOM 0 HG1 THR A 554 14.624 8.732 0.506 1.00 1.01 H new ATOM 0 HG21 THR A 554 14.507 11.449 -1.221 1.00 1.17 H new ATOM 0 HG22 THR A 554 13.482 10.971 -2.595 1.00 1.17 H new ATOM 0 HG23 THR A 554 12.743 11.325 -1.015 1.00 1.17 H new ATOM 322 N ALA A 555 12.952 8.004 -3.863 1.00 0.86 N ATOM 323 CA ALA A 555 12.795 8.089 -5.316 1.00 0.95 C ATOM 324 C ALA A 555 11.391 7.645 -5.761 1.00 0.86 C ATOM 325 O ALA A 555 10.919 7.999 -6.840 1.00 0.95 O ATOM 326 CB ALA A 555 13.891 7.235 -5.962 1.00 1.10 C ATOM 0 H ALA A 555 13.632 7.305 -3.563 1.00 0.86 H new ATOM 0 HA ALA A 555 12.898 9.125 -5.639 1.00 0.95 H new ATOM 0 HB1 ALA A 555 13.796 7.281 -7.047 1.00 1.10 H new ATOM 0 HB2 ALA A 555 14.869 7.614 -5.667 1.00 1.10 H new ATOM 0 HB3 ALA A 555 13.788 6.201 -5.633 1.00 1.10 H new ATOM 332 N MET A 556 10.699 6.901 -4.897 1.00 0.75 N ATOM 333 CA MET A 556 9.323 6.452 -5.089 1.00 0.76 C ATOM 334 C MET A 556 8.279 7.573 -4.927 1.00 0.72 C ATOM 335 O MET A 556 7.195 7.498 -5.501 1.00 0.76 O ATOM 336 CB MET A 556 9.108 5.336 -4.065 1.00 0.90 C ATOM 337 CG MET A 556 7.851 4.514 -4.337 1.00 0.93 C ATOM 338 SD MET A 556 7.630 3.091 -3.241 1.00 1.14 S ATOM 339 CE MET A 556 9.273 2.325 -3.337 1.00 1.00 C ATOM 0 H MET A 556 11.097 6.584 -4.013 1.00 0.75 H new ATOM 0 HA MET A 556 9.183 6.106 -6.113 1.00 0.76 H new ATOM 0 HB2 MET A 556 9.975 4.676 -4.067 1.00 0.90 H new ATOM 0 HB3 MET A 556 9.042 5.772 -3.068 1.00 0.90 H new ATOM 0 HG2 MET A 556 6.981 5.164 -4.247 1.00 0.93 H new ATOM 0 HG3 MET A 556 7.879 4.161 -5.368 1.00 0.93 H new ATOM 0 HE1 MET A 556 9.195 1.266 -3.093 1.00 1.00 H new ATOM 0 HE2 MET A 556 9.668 2.437 -4.347 1.00 1.00 H new ATOM 0 HE3 MET A 556 9.944 2.812 -2.629 1.00 1.00 H new ATOM 349 N LEU A 557 8.591 8.624 -4.161 1.00 0.74 N ATOM 350 CA LEU A 557 7.609 9.628 -3.734 1.00 0.81 C ATOM 351 C LEU A 557 7.195 10.615 -4.843 1.00 0.75 C ATOM 352 O LEU A 557 6.169 11.286 -4.715 1.00 0.80 O ATOM 353 CB LEU A 557 8.153 10.390 -2.510 1.00 0.95 C ATOM 354 CG LEU A 557 8.664 9.538 -1.337 1.00 1.03 C ATOM 355 CD1 LEU A 557 9.250 10.435 -0.250 1.00 1.31 C ATOM 356 CD2 LEU A 557 7.542 8.708 -0.720 1.00 1.25 C ATOM 0 H LEU A 557 9.535 8.803 -3.818 1.00 0.74 H new ATOM 0 HA LEU A 557 6.701 9.084 -3.473 1.00 0.81 H new ATOM 0 HB2 LEU A 557 8.968 11.033 -2.844 1.00 0.95 H new ATOM 0 HB3 LEU A 557 7.364 11.043 -2.138 1.00 0.95 H new ATOM 0 HG LEU A 557 9.429 8.869 -1.732 1.00 1.03 H new ATOM 0 HD11 LEU A 557 9.608 9.820 0.575 1.00 1.31 H new ATOM 0 HD12 LEU A 557 10.080 11.010 -0.661 1.00 1.31 H new ATOM 0 HD13 LEU A 557 8.481 11.117 0.113 1.00 1.31 H new ATOM 0 HD21 LEU A 557 7.938 8.118 0.106 1.00 1.25 H new ATOM 0 HD22 LEU A 557 6.760 9.371 -0.350 1.00 1.25 H new ATOM 0 HD23 LEU A 557 7.125 8.041 -1.475 1.00 1.25 H new ATOM 368 N THR A 558 7.978 10.720 -5.922 1.00 0.76 N ATOM 369 CA THR A 558 7.839 11.768 -6.958 1.00 0.88 C ATOM 370 C THR A 558 6.505 11.806 -7.722 1.00 0.88 C ATOM 371 O THR A 558 6.128 12.878 -8.211 1.00 1.04 O ATOM 372 CB THR A 558 8.962 11.678 -8.004 1.00 1.08 C ATOM 373 OG1 THR A 558 8.881 10.482 -8.752 1.00 1.85 O ATOM 374 CG2 THR A 558 10.364 11.752 -7.399 1.00 1.59 C ATOM 0 H THR A 558 8.742 10.071 -6.110 1.00 0.76 H new ATOM 0 HA THR A 558 7.892 12.684 -6.369 1.00 0.88 H new ATOM 0 HB THR A 558 8.810 12.546 -8.646 1.00 1.08 H new ATOM 0 HG1 THR A 558 9.608 10.457 -9.409 1.00 1.85 H new ATOM 0 HG21 THR A 558 11.107 11.682 -8.193 1.00 1.59 H new ATOM 0 HG22 THR A 558 10.483 12.699 -6.872 1.00 1.59 H new ATOM 0 HG23 THR A 558 10.502 10.928 -6.699 1.00 1.59 H new ATOM 382 N LYS A 559 5.787 10.677 -7.855 1.00 0.85 N ATOM 383 CA LYS A 559 4.507 10.571 -8.591 1.00 0.94 C ATOM 384 C LYS A 559 3.326 10.038 -7.767 1.00 0.96 C ATOM 385 O LYS A 559 2.361 9.524 -8.332 1.00 1.22 O ATOM 386 CB LYS A 559 4.705 9.838 -9.932 1.00 1.10 C ATOM 387 CG LYS A 559 5.212 8.387 -9.805 1.00 1.37 C ATOM 388 CD LYS A 559 4.483 7.432 -10.764 1.00 1.56 C ATOM 389 CE LYS A 559 3.152 6.984 -10.142 1.00 1.83 C ATOM 390 NZ LYS A 559 2.303 6.220 -11.091 1.00 2.61 N ATOM 0 H LYS A 559 6.084 9.791 -7.446 1.00 0.85 H new ATOM 0 HA LYS A 559 4.202 11.593 -8.814 1.00 0.94 H new ATOM 0 HB2 LYS A 559 3.757 9.831 -10.470 1.00 1.10 H new ATOM 0 HB3 LYS A 559 5.412 10.404 -10.539 1.00 1.10 H new ATOM 0 HG2 LYS A 559 6.282 8.358 -10.010 1.00 1.37 H new ATOM 0 HG3 LYS A 559 5.075 8.044 -8.779 1.00 1.37 H new ATOM 0 HD2 LYS A 559 4.300 7.929 -11.717 1.00 1.56 H new ATOM 0 HD3 LYS A 559 5.108 6.564 -10.972 1.00 1.56 H new ATOM 0 HE2 LYS A 559 3.354 6.368 -9.266 1.00 1.83 H new ATOM 0 HE3 LYS A 559 2.604 7.861 -9.796 1.00 1.83 H new ATOM 0 HZ1 LYS A 559 1.476 6.792 -11.355 1.00 2.61 H new ATOM 0 HZ2 LYS A 559 2.853 5.993 -11.944 1.00 2.61 H new ATOM 0 HZ3 LYS A 559 1.985 5.339 -10.640 1.00 2.61 H new ATOM 404 N LEU A 560 3.393 10.104 -6.437 1.00 0.78 N ATOM 405 CA LEU A 560 2.315 9.638 -5.560 1.00 0.77 C ATOM 406 C LEU A 560 1.001 10.420 -5.767 1.00 0.75 C ATOM 407 O LEU A 560 1.012 11.570 -6.220 1.00 1.04 O ATOM 408 CB LEU A 560 2.762 9.796 -4.089 1.00 1.06 C ATOM 409 CG LEU A 560 3.575 8.633 -3.507 1.00 1.08 C ATOM 410 CD1 LEU A 560 4.154 9.043 -2.152 1.00 2.71 C ATOM 411 CD2 LEU A 560 2.676 7.421 -3.264 1.00 1.30 C ATOM 0 H LEU A 560 4.197 10.482 -5.935 1.00 0.78 H new ATOM 0 HA LEU A 560 2.120 8.594 -5.807 1.00 0.77 H new ATOM 0 HB2 LEU A 560 3.356 10.706 -4.006 1.00 1.06 H new ATOM 0 HB3 LEU A 560 1.874 9.937 -3.473 1.00 1.06 H new ATOM 0 HG LEU A 560 4.364 8.384 -4.217 1.00 1.08 H new ATOM 0 HD11 LEU A 560 4.732 8.217 -1.738 1.00 2.71 H new ATOM 0 HD12 LEU A 560 4.802 9.910 -2.280 1.00 2.71 H new ATOM 0 HD13 LEU A 560 3.342 9.295 -1.470 1.00 2.71 H new ATOM 0 HD21 LEU A 560 3.269 6.605 -2.851 1.00 1.30 H new ATOM 0 HD22 LEU A 560 1.887 7.688 -2.561 1.00 1.30 H new ATOM 0 HD23 LEU A 560 2.230 7.104 -4.207 1.00 1.30 H new ATOM 423 N LYS A 561 -0.121 9.807 -5.367 1.00 0.76 N ATOM 424 CA LYS A 561 -1.468 10.407 -5.380 1.00 0.86 C ATOM 425 C LYS A 561 -2.187 10.271 -4.031 1.00 0.90 C ATOM 426 O LYS A 561 -2.063 9.248 -3.362 1.00 0.90 O ATOM 427 CB LYS A 561 -2.306 9.762 -6.500 1.00 1.07 C ATOM 428 CG LYS A 561 -3.189 10.764 -7.259 1.00 1.16 C ATOM 429 CD LYS A 561 -2.592 11.266 -8.587 1.00 1.46 C ATOM 430 CE LYS A 561 -1.152 11.780 -8.465 1.00 1.52 C ATOM 431 NZ LYS A 561 -0.682 12.383 -9.733 1.00 1.83 N ATOM 0 H LYS A 561 -0.120 8.850 -5.014 1.00 0.76 H new ATOM 0 HA LYS A 561 -1.352 11.474 -5.568 1.00 0.86 H new ATOM 0 HB2 LYS A 561 -1.637 9.271 -7.207 1.00 1.07 H new ATOM 0 HB3 LYS A 561 -2.939 8.986 -6.069 1.00 1.07 H new ATOM 0 HG2 LYS A 561 -4.153 10.298 -7.462 1.00 1.16 H new ATOM 0 HG3 LYS A 561 -3.380 11.622 -6.614 1.00 1.16 H new ATOM 0 HD2 LYS A 561 -2.618 10.455 -9.315 1.00 1.46 H new ATOM 0 HD3 LYS A 561 -3.221 12.066 -8.978 1.00 1.46 H new ATOM 0 HE2 LYS A 561 -1.095 12.519 -7.666 1.00 1.52 H new ATOM 0 HE3 LYS A 561 -0.493 10.958 -8.186 1.00 1.52 H new ATOM 0 HZ1 LYS A 561 0.295 12.720 -9.616 1.00 1.83 H new ATOM 0 HZ2 LYS A 561 -0.714 11.670 -10.489 1.00 1.83 H new ATOM 0 HZ3 LYS A 561 -1.296 13.183 -9.986 1.00 1.83 H new ATOM 445 N PHE A 562 -2.966 11.285 -3.671 1.00 1.08 N ATOM 446 CA PHE A 562 -3.766 11.384 -2.438 1.00 1.20 C ATOM 447 C PHE A 562 -5.256 11.136 -2.720 1.00 0.98 C ATOM 448 O PHE A 562 -5.761 11.606 -3.742 1.00 0.95 O ATOM 449 CB PHE A 562 -3.544 12.790 -1.857 1.00 1.64 C ATOM 450 CG PHE A 562 -4.581 13.293 -0.873 1.00 1.24 C ATOM 451 CD1 PHE A 562 -5.698 14.003 -1.351 1.00 2.05 C ATOM 452 CD2 PHE A 562 -4.415 13.102 0.511 1.00 2.28 C ATOM 453 CE1 PHE A 562 -6.619 14.562 -0.451 1.00 1.88 C ATOM 454 CE2 PHE A 562 -5.339 13.659 1.412 1.00 2.85 C ATOM 455 CZ PHE A 562 -6.429 14.407 0.931 1.00 1.93 C ATOM 0 H PHE A 562 -3.068 12.111 -4.260 1.00 1.08 H new ATOM 0 HA PHE A 562 -3.453 10.622 -1.724 1.00 1.20 H new ATOM 0 HB2 PHE A 562 -2.572 12.804 -1.364 1.00 1.64 H new ATOM 0 HB3 PHE A 562 -3.491 13.496 -2.686 1.00 1.64 H new ATOM 0 HD1 PHE A 562 -5.847 14.118 -2.414 1.00 2.05 H new ATOM 0 HD2 PHE A 562 -3.578 12.528 0.881 1.00 2.28 H new ATOM 0 HE1 PHE A 562 -7.472 15.110 -0.821 1.00 1.88 H new ATOM 0 HE2 PHE A 562 -5.212 13.513 2.474 1.00 2.85 H new ATOM 0 HZ PHE A 562 -7.120 14.862 1.625 1.00 1.93 H new ATOM 465 N GLU A 563 -5.985 10.456 -1.827 1.00 0.94 N ATOM 466 CA GLU A 563 -7.442 10.329 -1.934 1.00 0.95 C ATOM 467 C GLU A 563 -8.149 10.128 -0.579 1.00 0.78 C ATOM 468 O GLU A 563 -7.652 9.454 0.321 1.00 0.68 O ATOM 469 CB GLU A 563 -7.753 9.184 -2.916 1.00 1.05 C ATOM 470 CG GLU A 563 -9.236 9.015 -3.241 1.00 1.72 C ATOM 471 CD GLU A 563 -9.843 10.265 -3.893 1.00 3.36 C ATOM 472 OE1 GLU A 563 -10.187 11.222 -3.161 1.00 4.92 O ATOM 473 OE2 GLU A 563 -9.963 10.333 -5.142 1.00 3.87 O ATOM 0 H GLU A 563 -5.585 9.982 -1.017 1.00 0.94 H new ATOM 0 HA GLU A 563 -7.841 11.271 -2.310 1.00 0.95 H new ATOM 0 HB2 GLU A 563 -7.208 9.360 -3.844 1.00 1.05 H new ATOM 0 HB3 GLU A 563 -7.377 8.251 -2.497 1.00 1.05 H new ATOM 0 HG2 GLU A 563 -9.363 8.163 -3.909 1.00 1.72 H new ATOM 0 HG3 GLU A 563 -9.781 8.786 -2.325 1.00 1.72 H new ATOM 480 N VAL A 564 -9.350 10.695 -0.443 1.00 0.89 N ATOM 481 CA VAL A 564 -10.211 10.602 0.743 1.00 0.78 C ATOM 482 C VAL A 564 -11.407 9.681 0.505 1.00 0.69 C ATOM 483 O VAL A 564 -12.008 9.667 -0.576 1.00 0.74 O ATOM 484 CB VAL A 564 -10.681 11.996 1.199 1.00 0.85 C ATOM 485 CG1 VAL A 564 -11.500 11.982 2.485 1.00 0.86 C ATOM 486 CG2 VAL A 564 -9.489 12.931 1.423 1.00 0.99 C ATOM 0 H VAL A 564 -9.768 11.255 -1.186 1.00 0.89 H new ATOM 0 HA VAL A 564 -9.611 10.165 1.541 1.00 0.78 H new ATOM 0 HB VAL A 564 -11.319 12.351 0.389 1.00 0.85 H new ATOM 0 HG11 VAL A 564 -11.794 13.000 2.740 1.00 0.86 H new ATOM 0 HG12 VAL A 564 -12.392 11.372 2.342 1.00 0.86 H new ATOM 0 HG13 VAL A 564 -10.901 11.564 3.294 1.00 0.86 H new ATOM 0 HG21 VAL A 564 -9.849 13.908 1.744 1.00 0.99 H new ATOM 0 HG22 VAL A 564 -8.838 12.513 2.191 1.00 0.99 H new ATOM 0 HG23 VAL A 564 -8.930 13.038 0.493 1.00 0.99 H new ATOM 496 N PHE A 565 -11.810 8.970 1.558 1.00 0.63 N ATOM 497 CA PHE A 565 -13.069 8.215 1.629 1.00 0.63 C ATOM 498 C PHE A 565 -13.897 8.654 2.849 1.00 0.62 C ATOM 499 O PHE A 565 -13.367 9.251 3.784 1.00 0.68 O ATOM 500 CB PHE A 565 -12.799 6.707 1.589 1.00 0.65 C ATOM 501 CG PHE A 565 -12.145 6.212 0.308 1.00 0.70 C ATOM 502 CD1 PHE A 565 -10.755 6.351 0.117 1.00 2.22 C ATOM 503 CD2 PHE A 565 -12.913 5.549 -0.669 1.00 1.75 C ATOM 504 CE1 PHE A 565 -10.141 5.826 -1.033 1.00 2.31 C ATOM 505 CE2 PHE A 565 -12.297 5.009 -1.812 1.00 1.72 C ATOM 506 CZ PHE A 565 -10.908 5.140 -1.990 1.00 0.91 C ATOM 0 H PHE A 565 -11.256 8.899 2.412 1.00 0.63 H new ATOM 0 HA PHE A 565 -13.674 8.441 0.751 1.00 0.63 H new ATOM 0 HB2 PHE A 565 -12.160 6.444 2.432 1.00 0.65 H new ATOM 0 HB3 PHE A 565 -13.743 6.179 1.727 1.00 0.65 H new ATOM 0 HD1 PHE A 565 -10.159 6.863 0.858 1.00 2.22 H new ATOM 0 HD2 PHE A 565 -13.981 5.455 -0.540 1.00 1.75 H new ATOM 0 HE1 PHE A 565 -9.078 5.950 -1.181 1.00 2.31 H new ATOM 0 HE2 PHE A 565 -12.890 4.494 -2.553 1.00 1.72 H new ATOM 0 HZ PHE A 565 -10.432 4.714 -2.861 1.00 0.91 H new ATOM 516 N GLN A 566 -15.212 8.442 2.818 1.00 0.75 N ATOM 517 CA GLN A 566 -16.164 8.760 3.902 1.00 0.87 C ATOM 518 C GLN A 566 -16.571 7.464 4.655 1.00 0.92 C ATOM 519 O GLN A 566 -16.369 6.371 4.119 1.00 0.90 O ATOM 520 CB GLN A 566 -17.406 9.452 3.295 1.00 1.04 C ATOM 521 CG GLN A 566 -17.188 10.582 2.274 1.00 1.28 C ATOM 522 CD GLN A 566 -16.546 11.823 2.866 1.00 1.56 C ATOM 523 OE1 GLN A 566 -17.163 12.874 3.007 1.00 2.78 O ATOM 524 NE2 GLN A 566 -15.288 11.760 3.231 1.00 1.83 N ATOM 0 H GLN A 566 -15.670 8.027 2.007 1.00 0.75 H new ATOM 0 HA GLN A 566 -15.693 9.433 4.619 1.00 0.87 H new ATOM 0 HB2 GLN A 566 -18.013 8.684 2.816 1.00 1.04 H new ATOM 0 HB3 GLN A 566 -17.996 9.857 4.117 1.00 1.04 H new ATOM 0 HG2 GLN A 566 -16.561 10.211 1.463 1.00 1.28 H new ATOM 0 HG3 GLN A 566 -18.148 10.854 1.836 1.00 1.28 H new ATOM 0 HE21 GLN A 566 -14.767 10.890 3.118 1.00 1.83 H new ATOM 0 HE22 GLN A 566 -14.831 12.581 3.628 1.00 1.83 H new ATOM 533 N PRO A 567 -17.162 7.532 5.868 1.00 1.09 N ATOM 534 CA PRO A 567 -17.400 6.341 6.689 1.00 1.21 C ATOM 535 C PRO A 567 -18.302 5.281 6.026 1.00 1.33 C ATOM 536 O PRO A 567 -19.360 5.591 5.468 1.00 1.47 O ATOM 537 CB PRO A 567 -18.002 6.836 8.009 1.00 1.42 C ATOM 538 CG PRO A 567 -17.728 8.339 8.045 1.00 1.38 C ATOM 539 CD PRO A 567 -17.553 8.740 6.584 1.00 1.23 C ATOM 0 HA PRO A 567 -16.454 5.821 6.839 1.00 1.21 H new ATOM 0 HB2 PRO A 567 -19.072 6.631 8.054 1.00 1.42 H new ATOM 0 HB3 PRO A 567 -17.545 6.333 8.862 1.00 1.42 H new ATOM 0 HG2 PRO A 567 -18.553 8.880 8.507 1.00 1.38 H new ATOM 0 HG3 PRO A 567 -16.834 8.564 8.626 1.00 1.38 H new ATOM 0 HD2 PRO A 567 -18.480 9.148 6.180 1.00 1.23 H new ATOM 0 HD3 PRO A 567 -16.793 9.515 6.483 1.00 1.23 H new ATOM 547 N GLY A 568 -17.896 4.014 6.115 1.00 1.34 N ATOM 548 CA GLY A 568 -18.613 2.839 5.623 1.00 1.52 C ATOM 549 C GLY A 568 -18.215 2.446 4.203 1.00 1.47 C ATOM 550 O GLY A 568 -18.580 1.364 3.751 1.00 1.73 O ATOM 0 H GLY A 568 -17.010 3.768 6.556 1.00 1.34 H new ATOM 0 HA2 GLY A 568 -18.425 1.999 6.292 1.00 1.52 H new ATOM 0 HA3 GLY A 568 -19.685 3.036 5.652 1.00 1.52 H new ATOM 554 N ASP A 569 -17.451 3.282 3.496 1.00 1.21 N ATOM 555 CA ASP A 569 -17.181 3.095 2.080 1.00 1.15 C ATOM 556 C ASP A 569 -16.011 2.125 1.837 1.00 1.15 C ATOM 557 O ASP A 569 -14.907 2.321 2.352 1.00 1.16 O ATOM 558 CB ASP A 569 -16.990 4.472 1.423 1.00 1.03 C ATOM 559 CG ASP A 569 -16.995 4.453 -0.107 1.00 1.18 C ATOM 560 OD1 ASP A 569 -17.495 3.483 -0.732 1.00 1.63 O ATOM 561 OD2 ASP A 569 -16.499 5.434 -0.706 1.00 2.02 O ATOM 0 H ASP A 569 -17.004 4.107 3.896 1.00 1.21 H new ATOM 0 HA ASP A 569 -18.035 2.613 1.604 1.00 1.15 H new ATOM 0 HB2 ASP A 569 -17.781 5.138 1.768 1.00 1.03 H new ATOM 0 HB3 ASP A 569 -16.046 4.896 1.765 1.00 1.03 H new ATOM 566 N TYR A 570 -16.246 1.067 1.056 1.00 1.21 N ATOM 567 CA TYR A 570 -15.225 0.071 0.697 1.00 1.25 C ATOM 568 C TYR A 570 -14.115 0.691 -0.161 1.00 1.17 C ATOM 569 O TYR A 570 -14.342 1.134 -1.294 1.00 1.20 O ATOM 570 CB TYR A 570 -15.837 -1.154 0.003 1.00 1.44 C ATOM 571 CG TYR A 570 -16.582 -2.091 0.937 1.00 1.65 C ATOM 572 CD1 TYR A 570 -15.893 -3.112 1.628 1.00 2.99 C ATOM 573 CD2 TYR A 570 -17.970 -1.946 1.106 1.00 1.82 C ATOM 574 CE1 TYR A 570 -16.591 -3.986 2.490 1.00 3.18 C ATOM 575 CE2 TYR A 570 -18.665 -2.819 1.959 1.00 1.99 C ATOM 576 CZ TYR A 570 -17.986 -3.836 2.656 1.00 2.11 C ATOM 577 OH TYR A 570 -18.711 -4.661 3.457 1.00 2.34 O ATOM 0 H TYR A 570 -17.161 0.873 0.649 1.00 1.21 H new ATOM 0 HA TYR A 570 -14.777 -0.273 1.629 1.00 1.25 H new ATOM 0 HB2 TYR A 570 -16.522 -0.813 -0.774 1.00 1.44 H new ATOM 0 HB3 TYR A 570 -15.043 -1.711 -0.494 1.00 1.44 H new ATOM 0 HD1 TYR A 570 -14.827 -3.225 1.496 1.00 2.99 H new ATOM 0 HD2 TYR A 570 -18.501 -1.165 0.581 1.00 1.82 H new ATOM 0 HE1 TYR A 570 -16.062 -4.764 3.019 1.00 3.18 H new ATOM 0 HE2 TYR A 570 -19.732 -2.709 2.081 1.00 1.99 H new ATOM 0 HH TYR A 570 -19.653 -4.391 3.437 1.00 2.34 H new ATOM 587 N ILE A 571 -12.893 0.696 0.374 1.00 1.12 N ATOM 588 CA ILE A 571 -11.733 1.337 -0.253 1.00 1.12 C ATOM 589 C ILE A 571 -11.013 0.407 -1.245 1.00 1.17 C ATOM 590 O ILE A 571 -10.382 0.889 -2.183 1.00 1.24 O ATOM 591 CB ILE A 571 -10.761 1.857 0.827 1.00 1.06 C ATOM 592 CG1 ILE A 571 -10.251 0.741 1.755 1.00 1.04 C ATOM 593 CG2 ILE A 571 -11.383 2.939 1.717 1.00 1.07 C ATOM 594 CD1 ILE A 571 -8.837 1.006 2.218 1.00 1.16 C ATOM 0 H ILE A 571 -12.677 0.250 1.266 1.00 1.12 H new ATOM 0 HA ILE A 571 -12.101 2.183 -0.833 1.00 1.12 H new ATOM 0 HB ILE A 571 -9.932 2.277 0.257 1.00 1.06 H new ATOM 0 HG12 ILE A 571 -10.908 0.658 2.620 1.00 1.04 H new ATOM 0 HG13 ILE A 571 -10.290 -0.214 1.232 1.00 1.04 H new ATOM 0 HG21 ILE A 571 -10.652 3.266 2.457 1.00 1.07 H new ATOM 0 HG22 ILE A 571 -11.682 3.788 1.102 1.00 1.07 H new ATOM 0 HG23 ILE A 571 -12.258 2.533 2.225 1.00 1.07 H new ATOM 0 HD11 ILE A 571 -8.510 0.197 2.872 1.00 1.16 H new ATOM 0 HD12 ILE A 571 -8.176 1.063 1.353 1.00 1.16 H new ATOM 0 HD13 ILE A 571 -8.803 1.949 2.764 1.00 1.16 H new ATOM 606 N ILE A 572 -11.091 -0.914 -1.034 1.00 1.21 N ATOM 607 CA ILE A 572 -10.370 -1.950 -1.784 1.00 1.26 C ATOM 608 C ILE A 572 -11.265 -3.184 -1.959 1.00 1.65 C ATOM 609 O ILE A 572 -11.619 -3.816 -0.962 1.00 2.51 O ATOM 610 CB ILE A 572 -9.067 -2.363 -1.057 1.00 1.70 C ATOM 611 CG1 ILE A 572 -8.118 -1.158 -0.939 1.00 1.91 C ATOM 612 CG2 ILE A 572 -8.348 -3.508 -1.798 1.00 1.99 C ATOM 613 CD1 ILE A 572 -6.857 -1.428 -0.125 1.00 1.79 C ATOM 0 H ILE A 572 -11.685 -1.306 -0.303 1.00 1.21 H new ATOM 0 HA ILE A 572 -10.108 -1.539 -2.759 1.00 1.26 H new ATOM 0 HB ILE A 572 -9.342 -2.713 -0.062 1.00 1.70 H new ATOM 0 HG12 ILE A 572 -7.828 -0.839 -1.940 1.00 1.91 H new ATOM 0 HG13 ILE A 572 -8.659 -0.328 -0.484 1.00 1.91 H new ATOM 0 HG21 ILE A 572 -7.437 -3.774 -1.261 1.00 1.99 H new ATOM 0 HG22 ILE A 572 -9.005 -4.376 -1.850 1.00 1.99 H new ATOM 0 HG23 ILE A 572 -8.093 -3.185 -2.807 1.00 1.99 H new ATOM 0 HD11 ILE A 572 -6.245 -0.527 -0.093 1.00 1.79 H new ATOM 0 HD12 ILE A 572 -7.133 -1.716 0.889 1.00 1.79 H new ATOM 0 HD13 ILE A 572 -6.290 -2.235 -0.589 1.00 1.79 H new ATOM 625 N ARG A 573 -11.552 -3.562 -3.211 1.00 1.44 N ATOM 626 CA ARG A 573 -12.040 -4.880 -3.648 1.00 2.05 C ATOM 627 C ARG A 573 -11.496 -5.218 -5.042 1.00 1.38 C ATOM 628 O ARG A 573 -11.263 -4.326 -5.856 1.00 1.37 O ATOM 629 CB ARG A 573 -13.582 -4.887 -3.645 1.00 3.19 C ATOM 630 CG ARG A 573 -14.185 -5.435 -2.340 1.00 4.70 C ATOM 631 CD ARG A 573 -14.397 -6.951 -2.387 1.00 5.73 C ATOM 632 NE ARG A 573 -13.151 -7.731 -2.537 1.00 7.08 N ATOM 633 CZ ARG A 573 -13.035 -8.894 -3.150 1.00 8.19 C ATOM 634 NH1 ARG A 573 -14.061 -9.558 -3.594 1.00 8.20 N ATOM 635 NH2 ARG A 573 -11.866 -9.421 -3.349 1.00 9.79 N ATOM 0 H ARG A 573 -11.444 -2.918 -3.995 1.00 1.44 H new ATOM 0 HA ARG A 573 -11.683 -5.642 -2.955 1.00 2.05 H new ATOM 0 HB2 ARG A 573 -13.943 -3.871 -3.806 1.00 3.19 H new ATOM 0 HB3 ARG A 573 -13.937 -5.488 -4.482 1.00 3.19 H new ATOM 0 HG2 ARG A 573 -13.527 -5.188 -1.507 1.00 4.70 H new ATOM 0 HG3 ARG A 573 -15.139 -4.943 -2.149 1.00 4.70 H new ATOM 0 HD2 ARG A 573 -14.901 -7.265 -1.473 1.00 5.73 H new ATOM 0 HD3 ARG A 573 -15.063 -7.188 -3.216 1.00 5.73 H new ATOM 0 HE ARG A 573 -12.304 -7.335 -2.130 1.00 7.08 H new ATOM 0 HH11 ARG A 573 -15.002 -9.183 -3.474 1.00 8.20 H new ATOM 0 HH12 ARG A 573 -13.925 -10.454 -4.062 1.00 8.20 H new ATOM 0 HH21 ARG A 573 -11.027 -8.936 -3.031 1.00 9.79 H new ATOM 0 HH22 ARG A 573 -11.786 -10.320 -3.824 1.00 9.79 H new ATOM 649 N GLU A 574 -11.253 -6.499 -5.305 1.00 1.79 N ATOM 650 CA GLU A 574 -10.676 -6.980 -6.566 1.00 1.50 C ATOM 651 C GLU A 574 -11.684 -7.403 -7.650 1.00 2.09 C ATOM 652 O GLU A 574 -12.843 -7.748 -7.389 1.00 3.15 O ATOM 653 CB GLU A 574 -9.649 -8.093 -6.311 1.00 2.60 C ATOM 654 CG GLU A 574 -8.412 -7.596 -5.545 1.00 3.09 C ATOM 655 CD GLU A 574 -8.481 -7.823 -4.026 1.00 4.62 C ATOM 656 OE1 GLU A 574 -9.593 -7.956 -3.457 1.00 5.45 O ATOM 657 OE2 GLU A 574 -7.397 -7.913 -3.407 1.00 5.86 O ATOM 0 H GLU A 574 -11.453 -7.247 -4.641 1.00 1.79 H new ATOM 0 HA GLU A 574 -10.181 -6.104 -6.985 1.00 1.50 H new ATOM 0 HB2 GLU A 574 -10.123 -8.896 -5.746 1.00 2.60 H new ATOM 0 HB3 GLU A 574 -9.334 -8.517 -7.265 1.00 2.60 H new ATOM 0 HG2 GLU A 574 -7.529 -8.100 -5.937 1.00 3.09 H new ATOM 0 HG3 GLU A 574 -8.283 -6.531 -5.737 1.00 3.09 H new ATOM 664 N GLY A 575 -11.194 -7.403 -8.890 1.00 2.18 N ATOM 665 CA GLY A 575 -11.906 -7.824 -10.102 1.00 3.35 C ATOM 666 C GLY A 575 -11.054 -7.818 -11.383 1.00 3.34 C ATOM 667 O GLY A 575 -11.499 -8.325 -12.415 1.00 4.23 O ATOM 0 H GLY A 575 -10.242 -7.094 -9.089 1.00 2.18 H new ATOM 0 HA2 GLY A 575 -12.297 -8.830 -9.947 1.00 3.35 H new ATOM 0 HA3 GLY A 575 -12.764 -7.168 -10.249 1.00 3.35 H new ATOM 671 N THR A 576 -9.823 -7.293 -11.336 1.00 2.50 N ATOM 672 CA THR A 576 -8.888 -7.223 -12.476 1.00 2.64 C ATOM 673 C THR A 576 -7.424 -7.299 -12.030 1.00 2.32 C ATOM 674 O THR A 576 -7.114 -7.249 -10.838 1.00 2.20 O ATOM 675 CB THR A 576 -9.145 -5.972 -13.335 1.00 3.02 C ATOM 676 OG1 THR A 576 -8.521 -6.119 -14.587 1.00 3.28 O ATOM 677 CG2 THR A 576 -8.630 -4.677 -12.713 1.00 3.18 C ATOM 0 H THR A 576 -9.435 -6.893 -10.482 1.00 2.50 H new ATOM 0 HA THR A 576 -9.078 -8.100 -13.095 1.00 2.64 H new ATOM 0 HB THR A 576 -10.229 -5.893 -13.421 1.00 3.02 H new ATOM 0 HG1 THR A 576 -8.688 -5.322 -15.132 1.00 3.28 H new ATOM 0 HG21 THR A 576 -8.849 -3.842 -13.378 1.00 3.18 H new ATOM 0 HG22 THR A 576 -9.120 -4.514 -11.753 1.00 3.18 H new ATOM 0 HG23 THR A 576 -7.553 -4.749 -12.563 1.00 3.18 H new ATOM 685 N ILE A 577 -6.514 -7.451 -12.987 1.00 2.47 N ATOM 686 CA ILE A 577 -5.118 -7.819 -12.742 1.00 2.27 C ATOM 687 C ILE A 577 -4.234 -6.563 -12.609 1.00 2.04 C ATOM 688 O ILE A 577 -4.216 -5.712 -13.503 1.00 2.17 O ATOM 689 CB ILE A 577 -4.604 -8.772 -13.850 1.00 2.53 C ATOM 690 CG1 ILE A 577 -5.386 -10.105 -13.958 1.00 3.03 C ATOM 691 CG2 ILE A 577 -3.136 -9.139 -13.568 1.00 2.31 C ATOM 692 CD1 ILE A 577 -6.794 -10.050 -14.563 1.00 3.65 C ATOM 0 H ILE A 577 -6.728 -7.320 -13.976 1.00 2.47 H new ATOM 0 HA ILE A 577 -5.061 -8.355 -11.795 1.00 2.27 H new ATOM 0 HB ILE A 577 -4.736 -8.227 -14.784 1.00 2.53 H new ATOM 0 HG12 ILE A 577 -4.791 -10.798 -14.553 1.00 3.03 H new ATOM 0 HG13 ILE A 577 -5.466 -10.531 -12.958 1.00 3.03 H new ATOM 0 HG21 ILE A 577 -2.773 -9.810 -14.347 1.00 2.31 H new ATOM 0 HG22 ILE A 577 -2.530 -8.233 -13.557 1.00 2.31 H new ATOM 0 HG23 ILE A 577 -3.064 -9.635 -12.600 1.00 2.31 H new ATOM 0 HD11 ILE A 577 -7.223 -11.052 -14.577 1.00 3.65 H new ATOM 0 HD12 ILE A 577 -7.423 -9.394 -13.961 1.00 3.65 H new ATOM 0 HD13 ILE A 577 -6.738 -9.665 -15.581 1.00 3.65 H new ATOM 704 N GLY A 578 -3.435 -6.478 -11.540 1.00 1.92 N ATOM 705 CA GLY A 578 -2.383 -5.463 -11.372 1.00 1.87 C ATOM 706 C GLY A 578 -2.762 -4.257 -10.504 1.00 1.67 C ATOM 707 O GLY A 578 -2.209 -3.171 -10.691 1.00 1.79 O ATOM 0 H GLY A 578 -3.500 -7.123 -10.752 1.00 1.92 H new ATOM 0 HA2 GLY A 578 -1.507 -5.942 -10.935 1.00 1.87 H new ATOM 0 HA3 GLY A 578 -2.090 -5.101 -12.358 1.00 1.87 H new ATOM 711 N LYS A 579 -3.710 -4.428 -9.570 1.00 1.65 N ATOM 712 CA LYS A 579 -4.186 -3.362 -8.665 1.00 1.56 C ATOM 713 C LYS A 579 -3.038 -2.750 -7.828 1.00 1.31 C ATOM 714 O LYS A 579 -1.976 -3.343 -7.653 1.00 1.36 O ATOM 715 CB LYS A 579 -5.354 -3.891 -7.808 1.00 1.76 C ATOM 716 CG LYS A 579 -6.342 -2.796 -7.349 1.00 2.67 C ATOM 717 CD LYS A 579 -7.454 -3.432 -6.506 1.00 2.79 C ATOM 718 CE LYS A 579 -8.508 -2.452 -5.962 1.00 4.12 C ATOM 719 NZ LYS A 579 -9.521 -2.051 -6.968 1.00 4.47 N ATOM 0 H LYS A 579 -4.176 -5.322 -9.417 1.00 1.65 H new ATOM 0 HA LYS A 579 -4.566 -2.534 -9.264 1.00 1.56 H new ATOM 0 HB2 LYS A 579 -5.900 -4.642 -8.379 1.00 1.76 H new ATOM 0 HB3 LYS A 579 -4.949 -4.392 -6.929 1.00 1.76 H new ATOM 0 HG2 LYS A 579 -5.817 -2.039 -6.767 1.00 2.67 H new ATOM 0 HG3 LYS A 579 -6.771 -2.292 -8.215 1.00 2.67 H new ATOM 0 HD2 LYS A 579 -7.960 -4.185 -7.110 1.00 2.79 H new ATOM 0 HD3 LYS A 579 -6.997 -3.952 -5.664 1.00 2.79 H new ATOM 0 HE2 LYS A 579 -9.014 -2.910 -5.112 1.00 4.12 H new ATOM 0 HE3 LYS A 579 -8.005 -1.560 -5.590 1.00 4.12 H new ATOM 0 HZ1 LYS A 579 -9.795 -1.060 -6.809 1.00 4.47 H new ATOM 0 HZ2 LYS A 579 -9.121 -2.151 -7.923 1.00 4.47 H new ATOM 0 HZ3 LYS A 579 -10.359 -2.660 -6.879 1.00 4.47 H new ATOM 733 N LYS A 580 -3.270 -1.549 -7.299 1.00 1.25 N ATOM 734 CA LYS A 580 -2.281 -0.659 -6.663 1.00 1.14 C ATOM 735 C LYS A 580 -1.992 -1.002 -5.194 1.00 0.94 C ATOM 736 O LYS A 580 -2.727 -1.772 -4.579 1.00 1.09 O ATOM 737 CB LYS A 580 -2.846 0.772 -6.684 1.00 1.52 C ATOM 738 CG LYS A 580 -3.258 1.292 -8.068 1.00 1.58 C ATOM 739 CD LYS A 580 -3.378 2.817 -8.034 1.00 2.56 C ATOM 740 CE LYS A 580 -4.630 3.264 -7.270 1.00 3.48 C ATOM 741 NZ LYS A 580 -4.769 4.736 -7.298 1.00 4.48 N ATOM 0 H LYS A 580 -4.205 -1.142 -7.300 1.00 1.25 H new ATOM 0 HA LYS A 580 -1.352 -0.772 -7.222 1.00 1.14 H new ATOM 0 HB2 LYS A 580 -3.714 0.813 -6.025 1.00 1.52 H new ATOM 0 HB3 LYS A 580 -2.098 1.447 -6.268 1.00 1.52 H new ATOM 0 HG2 LYS A 580 -2.521 0.993 -8.813 1.00 1.58 H new ATOM 0 HG3 LYS A 580 -4.209 0.850 -8.364 1.00 1.58 H new ATOM 0 HD2 LYS A 580 -2.492 3.243 -7.563 1.00 2.56 H new ATOM 0 HD3 LYS A 580 -3.415 3.203 -9.053 1.00 2.56 H new ATOM 0 HE2 LYS A 580 -5.514 2.803 -7.711 1.00 3.48 H new ATOM 0 HE3 LYS A 580 -4.573 2.920 -6.237 1.00 3.48 H new ATOM 0 HZ1 LYS A 580 -5.623 5.014 -6.774 1.00 4.48 H new ATOM 0 HZ2 LYS A 580 -3.935 5.172 -6.856 1.00 4.48 H new ATOM 0 HZ3 LYS A 580 -4.847 5.059 -8.284 1.00 4.48 H new ATOM 755 N MET A 581 -0.986 -0.333 -4.611 1.00 0.87 N ATOM 756 CA MET A 581 -0.894 -0.221 -3.140 1.00 0.96 C ATOM 757 C MET A 581 -1.683 0.992 -2.621 1.00 0.87 C ATOM 758 O MET A 581 -1.782 2.014 -3.307 1.00 0.79 O ATOM 759 CB MET A 581 0.559 -0.223 -2.618 1.00 1.13 C ATOM 760 CG MET A 581 1.288 1.133 -2.677 1.00 2.59 C ATOM 761 SD MET A 581 2.834 1.243 -1.724 1.00 3.24 S ATOM 762 CE MET A 581 2.249 1.076 -0.004 1.00 2.60 C ATOM 0 H MET A 581 -0.235 0.132 -5.121 1.00 0.87 H new ATOM 0 HA MET A 581 -1.356 -1.122 -2.736 1.00 0.96 H new ATOM 0 HB2 MET A 581 0.554 -0.568 -1.584 1.00 1.13 H new ATOM 0 HB3 MET A 581 1.132 -0.949 -3.194 1.00 1.13 H new ATOM 0 HG2 MET A 581 1.509 1.360 -3.720 1.00 2.59 H new ATOM 0 HG3 MET A 581 0.607 1.906 -2.320 1.00 2.59 H new ATOM 0 HE1 MET A 581 2.697 1.857 0.610 1.00 2.60 H new ATOM 0 HE2 MET A 581 1.164 1.172 0.022 1.00 2.60 H new ATOM 0 HE3 MET A 581 2.536 0.099 0.385 1.00 2.60 H new ATOM 772 N TYR A 582 -2.194 0.916 -1.391 1.00 0.98 N ATOM 773 CA TYR A 582 -2.932 2.003 -0.735 1.00 0.94 C ATOM 774 C TYR A 582 -2.500 2.092 0.739 1.00 1.03 C ATOM 775 O TYR A 582 -2.235 1.066 1.368 1.00 1.12 O ATOM 776 CB TYR A 582 -4.449 1.776 -0.845 1.00 0.88 C ATOM 777 CG TYR A 582 -5.030 1.486 -2.223 1.00 0.98 C ATOM 778 CD1 TYR A 582 -4.909 0.196 -2.779 1.00 2.04 C ATOM 779 CD2 TYR A 582 -5.775 2.469 -2.907 1.00 2.04 C ATOM 780 CE1 TYR A 582 -5.511 -0.107 -4.014 1.00 2.37 C ATOM 781 CE2 TYR A 582 -6.404 2.161 -4.131 1.00 2.15 C ATOM 782 CZ TYR A 582 -6.273 0.869 -4.686 1.00 1.69 C ATOM 783 OH TYR A 582 -6.883 0.552 -5.859 1.00 2.15 O ATOM 0 H TYR A 582 -2.106 0.082 -0.810 1.00 0.98 H new ATOM 0 HA TYR A 582 -2.702 2.944 -1.234 1.00 0.94 H new ATOM 0 HB2 TYR A 582 -4.711 0.945 -0.190 1.00 0.88 H new ATOM 0 HB3 TYR A 582 -4.949 2.661 -0.451 1.00 0.88 H new ATOM 0 HD1 TYR A 582 -4.351 -0.564 -2.253 1.00 2.04 H new ATOM 0 HD2 TYR A 582 -5.864 3.462 -2.492 1.00 2.04 H new ATOM 0 HE1 TYR A 582 -5.389 -1.089 -4.447 1.00 2.37 H new ATOM 0 HE2 TYR A 582 -6.986 2.913 -4.644 1.00 2.15 H new ATOM 0 HH TYR A 582 -7.370 1.333 -6.196 1.00 2.15 H new ATOM 793 N PHE A 583 -2.375 3.295 1.305 1.00 1.02 N ATOM 794 CA PHE A 583 -1.765 3.462 2.629 1.00 1.12 C ATOM 795 C PHE A 583 -2.316 4.682 3.389 1.00 1.09 C ATOM 796 O PHE A 583 -2.767 5.658 2.790 1.00 1.15 O ATOM 797 CB PHE A 583 -0.226 3.357 2.501 1.00 1.26 C ATOM 798 CG PHE A 583 0.544 4.412 1.719 1.00 1.50 C ATOM 799 CD1 PHE A 583 0.445 4.491 0.315 1.00 2.51 C ATOM 800 CD2 PHE A 583 1.502 5.199 2.385 1.00 2.29 C ATOM 801 CE1 PHE A 583 1.285 5.356 -0.411 1.00 2.91 C ATOM 802 CE2 PHE A 583 2.340 6.067 1.661 1.00 2.52 C ATOM 803 CZ PHE A 583 2.235 6.145 0.263 1.00 2.33 C ATOM 0 H PHE A 583 -2.686 4.164 0.871 1.00 1.02 H new ATOM 0 HA PHE A 583 -2.060 2.644 3.287 1.00 1.12 H new ATOM 0 HB2 PHE A 583 0.183 3.338 3.511 1.00 1.26 H new ATOM 0 HB3 PHE A 583 -0.003 2.391 2.049 1.00 1.26 H new ATOM 0 HD1 PHE A 583 -0.280 3.884 -0.207 1.00 2.51 H new ATOM 0 HD2 PHE A 583 1.595 5.136 3.459 1.00 2.29 H new ATOM 0 HE1 PHE A 583 1.200 5.414 -1.486 1.00 2.91 H new ATOM 0 HE2 PHE A 583 3.065 6.674 2.182 1.00 2.52 H new ATOM 0 HZ PHE A 583 2.881 6.808 -0.293 1.00 2.33 H new ATOM 813 N ILE A 584 -2.399 4.570 4.718 1.00 0.98 N ATOM 814 CA ILE A 584 -3.273 5.414 5.567 1.00 0.88 C ATOM 815 C ILE A 584 -2.541 6.663 6.078 1.00 0.93 C ATOM 816 O ILE A 584 -1.714 6.559 6.980 1.00 1.00 O ATOM 817 CB ILE A 584 -3.889 4.610 6.748 1.00 0.87 C ATOM 818 CG1 ILE A 584 -4.391 3.222 6.308 1.00 0.92 C ATOM 819 CG2 ILE A 584 -5.048 5.421 7.390 1.00 0.75 C ATOM 820 CD1 ILE A 584 -5.036 2.435 7.447 1.00 1.01 C ATOM 0 H ILE A 584 -1.859 3.886 5.249 1.00 0.98 H new ATOM 0 HA ILE A 584 -4.094 5.748 4.932 1.00 0.88 H new ATOM 0 HB ILE A 584 -3.101 4.450 7.484 1.00 0.87 H new ATOM 0 HG12 ILE A 584 -5.114 3.342 5.501 1.00 0.92 H new ATOM 0 HG13 ILE A 584 -3.555 2.650 5.905 1.00 0.92 H new ATOM 0 HG21 ILE A 584 -5.475 4.853 8.216 1.00 0.75 H new ATOM 0 HG22 ILE A 584 -4.665 6.371 7.763 1.00 0.75 H new ATOM 0 HG23 ILE A 584 -5.818 5.609 6.642 1.00 0.75 H new ATOM 0 HD11 ILE A 584 -5.370 1.466 7.076 1.00 1.01 H new ATOM 0 HD12 ILE A 584 -4.308 2.287 8.245 1.00 1.01 H new ATOM 0 HD13 ILE A 584 -5.891 2.990 7.834 1.00 1.01 H new ATOM 832 N GLN A 585 -2.879 7.855 5.571 1.00 0.95 N ATOM 833 CA GLN A 585 -2.214 9.113 5.953 1.00 1.04 C ATOM 834 C GLN A 585 -2.779 9.698 7.254 1.00 1.02 C ATOM 835 O GLN A 585 -2.011 10.174 8.094 1.00 1.19 O ATOM 836 CB GLN A 585 -2.280 10.093 4.767 1.00 1.11 C ATOM 837 CG GLN A 585 -1.520 11.416 4.978 1.00 1.55 C ATOM 838 CD GLN A 585 -2.446 12.574 5.345 1.00 1.96 C ATOM 839 OE1 GLN A 585 -2.992 13.248 4.483 1.00 2.95 O ATOM 840 NE2 GLN A 585 -2.678 12.831 6.611 1.00 2.12 N ATOM 0 H GLN A 585 -3.622 7.978 4.883 1.00 0.95 H new ATOM 0 HA GLN A 585 -1.165 8.914 6.174 1.00 1.04 H new ATOM 0 HB2 GLN A 585 -1.880 9.598 3.882 1.00 1.11 H new ATOM 0 HB3 GLN A 585 -3.326 10.320 4.560 1.00 1.11 H new ATOM 0 HG2 GLN A 585 -0.780 11.284 5.767 1.00 1.55 H new ATOM 0 HG3 GLN A 585 -0.974 11.666 4.068 1.00 1.55 H new ATOM 0 HE21 GLN A 585 -2.226 12.273 7.336 1.00 2.12 H new ATOM 0 HE22 GLN A 585 -3.310 13.589 6.870 1.00 2.12 H new ATOM 849 N HIS A 586 -4.103 9.643 7.427 1.00 0.89 N ATOM 850 CA HIS A 586 -4.803 9.975 8.670 1.00 0.87 C ATOM 851 C HIS A 586 -6.221 9.382 8.664 1.00 0.77 C ATOM 852 O HIS A 586 -7.040 9.727 7.812 1.00 0.77 O ATOM 853 CB HIS A 586 -4.878 11.499 8.827 1.00 0.98 C ATOM 854 CG HIS A 586 -5.594 11.934 10.073 1.00 1.38 C ATOM 855 ND1 HIS A 586 -5.105 11.874 11.356 1.00 2.22 N ATOM 856 CD2 HIS A 586 -6.851 12.468 10.137 1.00 2.53 C ATOM 857 CE1 HIS A 586 -6.037 12.379 12.180 1.00 2.49 C ATOM 858 NE2 HIS A 586 -7.133 12.732 11.483 1.00 2.82 N ATOM 0 H HIS A 586 -4.737 9.357 6.681 1.00 0.89 H new ATOM 0 HA HIS A 586 -4.252 9.549 9.508 1.00 0.87 H new ATOM 0 HB2 HIS A 586 -3.867 11.906 8.836 1.00 0.98 H new ATOM 0 HB3 HIS A 586 -5.384 11.922 7.959 1.00 0.98 H new ATOM 0 HD2 HIS A 586 -7.508 12.653 9.300 1.00 2.53 H new ATOM 0 HE1 HIS A 586 -5.924 12.487 13.249 1.00 2.49 H new ATOM 0 HE2 HIS A 586 -7.999 13.116 11.861 1.00 2.82 H new ATOM 866 N GLY A 587 -6.531 8.493 9.606 1.00 0.75 N ATOM 867 CA GLY A 587 -7.848 7.888 9.752 1.00 0.74 C ATOM 868 C GLY A 587 -7.735 6.445 10.219 1.00 0.77 C ATOM 869 O GLY A 587 -6.654 5.969 10.570 1.00 0.88 O ATOM 0 H GLY A 587 -5.859 8.169 10.301 1.00 0.75 H new ATOM 0 HA2 GLY A 587 -8.438 8.461 10.468 1.00 0.74 H new ATOM 0 HA3 GLY A 587 -8.377 7.926 8.800 1.00 0.74 H new ATOM 873 N VAL A 588 -8.868 5.749 10.186 1.00 0.79 N ATOM 874 CA VAL A 588 -9.015 4.361 10.614 1.00 0.91 C ATOM 875 C VAL A 588 -9.832 3.619 9.549 1.00 0.94 C ATOM 876 O VAL A 588 -10.683 4.209 8.875 1.00 0.94 O ATOM 877 CB VAL A 588 -9.676 4.289 12.016 1.00 1.01 C ATOM 878 CG1 VAL A 588 -9.857 2.863 12.553 1.00 1.11 C ATOM 879 CG2 VAL A 588 -8.859 5.050 13.070 1.00 1.05 C ATOM 0 H VAL A 588 -9.742 6.152 9.848 1.00 0.79 H new ATOM 0 HA VAL A 588 -8.040 3.883 10.709 1.00 0.91 H new ATOM 0 HB VAL A 588 -10.656 4.741 11.861 1.00 1.01 H new ATOM 0 HG11 VAL A 588 -10.325 2.901 13.537 1.00 1.11 H new ATOM 0 HG12 VAL A 588 -10.490 2.295 11.871 1.00 1.11 H new ATOM 0 HG13 VAL A 588 -8.884 2.378 12.633 1.00 1.11 H new ATOM 0 HG21 VAL A 588 -9.355 4.976 14.038 1.00 1.05 H new ATOM 0 HG22 VAL A 588 -7.861 4.617 13.139 1.00 1.05 H new ATOM 0 HG23 VAL A 588 -8.780 6.098 12.782 1.00 1.05 H new ATOM 889 N VAL A 589 -9.591 2.323 9.394 1.00 1.00 N ATOM 890 CA VAL A 589 -10.403 1.397 8.592 1.00 0.99 C ATOM 891 C VAL A 589 -10.947 0.268 9.461 1.00 0.95 C ATOM 892 O VAL A 589 -10.310 -0.129 10.434 1.00 0.92 O ATOM 893 CB VAL A 589 -9.629 0.814 7.398 1.00 1.04 C ATOM 894 CG1 VAL A 589 -9.373 1.867 6.313 1.00 1.07 C ATOM 895 CG2 VAL A 589 -8.309 0.178 7.837 1.00 1.03 C ATOM 0 H VAL A 589 -8.796 1.864 9.838 1.00 1.00 H new ATOM 0 HA VAL A 589 -11.233 1.978 8.190 1.00 0.99 H new ATOM 0 HB VAL A 589 -10.260 0.035 6.971 1.00 1.04 H new ATOM 0 HG11 VAL A 589 -8.824 1.413 5.488 1.00 1.07 H new ATOM 0 HG12 VAL A 589 -10.325 2.251 5.947 1.00 1.07 H new ATOM 0 HG13 VAL A 589 -8.788 2.686 6.732 1.00 1.07 H new ATOM 0 HG21 VAL A 589 -7.791 -0.223 6.966 1.00 1.03 H new ATOM 0 HG22 VAL A 589 -7.684 0.931 8.316 1.00 1.03 H new ATOM 0 HG23 VAL A 589 -8.510 -0.628 8.542 1.00 1.03 H new ATOM 905 N SER A 590 -12.086 -0.283 9.056 1.00 0.99 N ATOM 906 CA SER A 590 -12.658 -1.533 9.574 1.00 1.06 C ATOM 907 C SER A 590 -12.656 -2.534 8.419 1.00 1.10 C ATOM 908 O SER A 590 -13.062 -2.247 7.290 1.00 1.07 O ATOM 909 CB SER A 590 -14.078 -1.309 10.105 1.00 1.15 C ATOM 910 OG SER A 590 -14.022 -0.756 11.402 1.00 1.40 O ATOM 0 H SER A 590 -12.663 0.141 8.330 1.00 0.99 H new ATOM 0 HA SER A 590 -12.069 -1.909 10.411 1.00 1.06 H new ATOM 0 HB2 SER A 590 -14.624 -0.641 9.438 1.00 1.15 H new ATOM 0 HB3 SER A 590 -14.622 -2.254 10.126 1.00 1.15 H new ATOM 0 HG SER A 590 -14.476 0.112 11.407 1.00 1.40 H new ATOM 916 N VAL A 591 -12.034 -3.669 8.678 1.00 1.24 N ATOM 917 CA VAL A 591 -11.189 -4.395 7.739 1.00 1.27 C ATOM 918 C VAL A 591 -11.419 -5.884 7.963 1.00 1.52 C ATOM 919 O VAL A 591 -11.720 -6.288 9.087 1.00 1.57 O ATOM 920 CB VAL A 591 -9.740 -3.962 8.044 1.00 1.49 C ATOM 921 CG1 VAL A 591 -9.423 -4.074 9.517 1.00 2.50 C ATOM 922 CG2 VAL A 591 -8.656 -4.845 7.516 1.00 1.42 C ATOM 0 H VAL A 591 -12.104 -4.132 9.584 1.00 1.24 H new ATOM 0 HA VAL A 591 -11.409 -4.185 6.692 1.00 1.27 H new ATOM 0 HB VAL A 591 -9.736 -2.967 7.598 1.00 1.49 H new ATOM 0 HG11 VAL A 591 -8.394 -3.760 9.693 1.00 2.50 H new ATOM 0 HG12 VAL A 591 -10.099 -3.434 10.084 1.00 2.50 H new ATOM 0 HG13 VAL A 591 -9.547 -5.108 9.838 1.00 2.50 H new ATOM 0 HG21 VAL A 591 -7.685 -4.436 7.795 1.00 1.42 H new ATOM 0 HG22 VAL A 591 -8.763 -5.844 7.938 1.00 1.42 H new ATOM 0 HG23 VAL A 591 -8.728 -4.900 6.430 1.00 1.42 H new ATOM 932 N LEU A 592 -11.232 -6.715 6.945 1.00 1.80 N ATOM 933 CA LEU A 592 -11.196 -8.161 7.144 1.00 2.19 C ATOM 934 C LEU A 592 -9.860 -8.701 6.643 1.00 2.44 C ATOM 935 O LEU A 592 -9.512 -8.422 5.492 1.00 2.37 O ATOM 936 CB LEU A 592 -12.340 -8.861 6.366 1.00 2.45 C ATOM 937 CG LEU A 592 -13.820 -8.529 6.647 1.00 2.49 C ATOM 938 CD1 LEU A 592 -14.174 -8.648 8.123 1.00 2.46 C ATOM 939 CD2 LEU A 592 -14.283 -7.160 6.145 1.00 2.47 C ATOM 0 H LEU A 592 -11.103 -6.416 5.978 1.00 1.80 H new ATOM 0 HA LEU A 592 -11.321 -8.365 8.208 1.00 2.19 H new ATOM 0 HB2 LEU A 592 -12.167 -8.670 5.307 1.00 2.45 H new ATOM 0 HB3 LEU A 592 -12.220 -9.933 6.521 1.00 2.45 H new ATOM 0 HG LEU A 592 -14.353 -9.285 6.070 1.00 2.49 H new ATOM 0 HD11 LEU A 592 -15.227 -8.404 8.266 1.00 2.46 H new ATOM 0 HD12 LEU A 592 -13.989 -9.668 8.460 1.00 2.46 H new ATOM 0 HD13 LEU A 592 -13.560 -7.958 8.701 1.00 2.46 H new ATOM 0 HD21 LEU A 592 -15.336 -7.020 6.390 1.00 2.47 H new ATOM 0 HD22 LEU A 592 -13.692 -6.378 6.623 1.00 2.47 H new ATOM 0 HD23 LEU A 592 -14.151 -7.105 5.064 1.00 2.47 H new ATOM 951 N THR A 593 -9.160 -9.544 7.416 1.00 2.80 N ATOM 952 CA THR A 593 -8.213 -10.485 6.766 1.00 3.03 C ATOM 953 C THR A 593 -8.848 -11.855 6.515 1.00 3.20 C ATOM 954 O THR A 593 -9.414 -12.475 7.418 1.00 3.43 O ATOM 955 CB THR A 593 -6.815 -10.529 7.409 1.00 3.33 C ATOM 956 OG1 THR A 593 -6.816 -10.285 8.795 1.00 3.47 O ATOM 957 CG2 THR A 593 -5.945 -9.454 6.760 1.00 3.29 C ATOM 0 H THR A 593 -9.217 -9.602 8.433 1.00 2.80 H new ATOM 0 HA THR A 593 -8.007 -10.071 5.779 1.00 3.03 H new ATOM 0 HB THR A 593 -6.437 -11.539 7.250 1.00 3.33 H new ATOM 0 HG1 THR A 593 -5.898 -10.330 9.136 1.00 3.47 H new ATOM 0 HG21 THR A 593 -4.950 -9.473 7.206 1.00 3.29 H new ATOM 0 HG22 THR A 593 -5.867 -9.646 5.690 1.00 3.29 H new ATOM 0 HG23 THR A 593 -6.396 -8.475 6.921 1.00 3.29 H new ATOM 965 N LYS A 594 -8.814 -12.320 5.256 1.00 3.16 N ATOM 966 CA LYS A 594 -9.547 -13.500 4.755 1.00 3.26 C ATOM 967 C LYS A 594 -9.256 -14.803 5.511 1.00 3.70 C ATOM 968 O LYS A 594 -10.186 -15.558 5.782 1.00 3.53 O ATOM 969 CB LYS A 594 -9.380 -13.650 3.227 1.00 3.22 C ATOM 970 CG LYS A 594 -7.949 -13.864 2.702 1.00 3.60 C ATOM 971 CD LYS A 594 -7.187 -12.566 2.383 1.00 3.70 C ATOM 972 CE LYS A 594 -5.776 -12.896 1.882 1.00 4.28 C ATOM 973 NZ LYS A 594 -5.128 -11.729 1.242 1.00 5.35 N ATOM 0 H LYS A 594 -8.256 -11.870 4.530 1.00 3.16 H new ATOM 0 HA LYS A 594 -10.599 -13.305 4.963 1.00 3.26 H new ATOM 0 HB2 LYS A 594 -9.991 -14.491 2.900 1.00 3.22 H new ATOM 0 HB3 LYS A 594 -9.786 -12.757 2.752 1.00 3.22 H new ATOM 0 HG2 LYS A 594 -7.384 -14.429 3.443 1.00 3.60 H new ATOM 0 HG3 LYS A 594 -7.994 -14.475 1.801 1.00 3.60 H new ATOM 0 HD2 LYS A 594 -7.726 -11.995 1.627 1.00 3.70 H new ATOM 0 HD3 LYS A 594 -7.129 -11.941 3.274 1.00 3.70 H new ATOM 0 HE2 LYS A 594 -5.165 -13.237 2.718 1.00 4.28 H new ATOM 0 HE3 LYS A 594 -5.828 -13.719 1.169 1.00 4.28 H new ATOM 0 HZ1 LYS A 594 -4.456 -12.058 0.519 1.00 5.35 H new ATOM 0 HZ2 LYS A 594 -5.852 -11.131 0.795 1.00 5.35 H new ATOM 0 HZ3 LYS A 594 -4.619 -11.177 1.961 1.00 5.35 H new ATOM 987 N GLY A 595 -8.020 -15.014 5.959 1.00 4.94 N ATOM 988 CA GLY A 595 -7.613 -16.133 6.820 1.00 5.51 C ATOM 989 C GLY A 595 -8.143 -16.070 8.251 1.00 5.34 C ATOM 990 O GLY A 595 -8.079 -17.049 8.998 1.00 5.78 O ATOM 0 H GLY A 595 -7.245 -14.392 5.727 1.00 4.94 H new ATOM 0 HA2 GLY A 595 -7.950 -17.064 6.364 1.00 5.51 H new ATOM 0 HA3 GLY A 595 -6.524 -16.170 6.853 1.00 5.51 H new ATOM 994 N ASN A 596 -8.595 -14.891 8.657 1.00 4.72 N ATOM 995 CA ASN A 596 -8.487 -14.411 10.021 1.00 4.49 C ATOM 996 C ASN A 596 -9.768 -13.658 10.425 1.00 4.09 C ATOM 997 O ASN A 596 -10.883 -14.098 10.120 1.00 4.22 O ATOM 998 CB ASN A 596 -7.235 -13.517 10.080 1.00 4.31 C ATOM 999 CG ASN A 596 -5.898 -14.143 9.714 1.00 4.73 C ATOM 1000 OD1 ASN A 596 -5.714 -15.351 9.643 1.00 5.19 O ATOM 1001 ND2 ASN A 596 -4.881 -13.336 9.547 1.00 4.68 N ATOM 0 H ASN A 596 -9.056 -14.231 8.031 1.00 4.72 H new ATOM 0 HA ASN A 596 -8.384 -15.231 10.732 1.00 4.49 H new ATOM 0 HB2 ASN A 596 -7.399 -12.667 9.418 1.00 4.31 H new ATOM 0 HB3 ASN A 596 -7.154 -13.121 11.092 1.00 4.31 H new ATOM 0 HD21 ASN A 596 -3.953 -13.717 9.361 1.00 4.68 H new ATOM 0 HD22 ASN A 596 -5.016 -12.327 9.603 1.00 4.68 H new ATOM 1008 N LYS A 597 -9.606 -12.549 11.156 1.00 3.73 N ATOM 1009 CA LYS A 597 -10.669 -11.807 11.809 1.00 3.41 C ATOM 1010 C LYS A 597 -11.078 -10.537 11.077 1.00 2.89 C ATOM 1011 O LYS A 597 -10.342 -9.987 10.254 1.00 2.80 O ATOM 1012 CB LYS A 597 -10.308 -11.533 13.289 1.00 3.45 C ATOM 1013 CG LYS A 597 -10.101 -12.760 14.205 1.00 3.87 C ATOM 1014 CD LYS A 597 -8.823 -13.606 14.036 1.00 4.27 C ATOM 1015 CE LYS A 597 -7.502 -12.845 13.838 1.00 4.92 C ATOM 1016 NZ LYS A 597 -7.058 -12.072 15.028 1.00 5.45 N ATOM 0 H LYS A 597 -8.687 -12.134 11.310 1.00 3.73 H new ATOM 0 HA LYS A 597 -11.554 -12.442 11.777 1.00 3.41 H new ATOM 0 HB2 LYS A 597 -9.395 -10.939 13.309 1.00 3.45 H new ATOM 0 HB3 LYS A 597 -11.098 -10.919 13.721 1.00 3.45 H new ATOM 0 HG2 LYS A 597 -10.131 -12.410 15.237 1.00 3.87 H new ATOM 0 HG3 LYS A 597 -10.956 -13.422 14.068 1.00 3.87 H new ATOM 0 HD2 LYS A 597 -8.719 -14.242 14.915 1.00 4.27 H new ATOM 0 HD3 LYS A 597 -8.965 -14.266 13.180 1.00 4.27 H new ATOM 0 HE2 LYS A 597 -6.722 -13.558 13.570 1.00 4.92 H new ATOM 0 HE3 LYS A 597 -7.612 -12.162 12.996 1.00 4.92 H new ATOM 0 HZ1 LYS A 597 -6.162 -11.589 14.814 1.00 5.45 H new ATOM 0 HZ2 LYS A 597 -7.782 -11.367 15.274 1.00 5.45 H new ATOM 0 HZ3 LYS A 597 -6.919 -12.719 15.830 1.00 5.45 H new ATOM 1030 N GLU A 598 -12.253 -10.042 11.455 1.00 2.70 N ATOM 1031 CA GLU A 598 -12.535 -8.620 11.330 1.00 2.30 C ATOM 1032 C GLU A 598 -11.626 -7.829 12.287 1.00 2.02 C ATOM 1033 O GLU A 598 -11.506 -8.152 13.471 1.00 2.07 O ATOM 1034 CB GLU A 598 -14.038 -8.325 11.499 1.00 2.51 C ATOM 1035 CG GLU A 598 -14.588 -8.490 12.920 1.00 2.78 C ATOM 1036 CD GLU A 598 -16.101 -8.253 12.950 1.00 3.00 C ATOM 1037 OE1 GLU A 598 -16.884 -9.173 12.605 1.00 4.11 O ATOM 1038 OE2 GLU A 598 -16.530 -7.144 13.347 1.00 2.87 O ATOM 0 H GLU A 598 -13.014 -10.598 11.845 1.00 2.70 H new ATOM 0 HA GLU A 598 -12.299 -8.284 10.320 1.00 2.30 H new ATOM 0 HB2 GLU A 598 -14.229 -7.303 11.171 1.00 2.51 H new ATOM 0 HB3 GLU A 598 -14.597 -8.983 10.833 1.00 2.51 H new ATOM 0 HG2 GLU A 598 -14.365 -9.492 13.287 1.00 2.78 H new ATOM 0 HG3 GLU A 598 -14.092 -7.788 13.590 1.00 2.78 H new ATOM 1045 N MET A 599 -10.950 -6.812 11.761 1.00 1.81 N ATOM 1046 CA MET A 599 -10.050 -5.913 12.487 1.00 1.59 C ATOM 1047 C MET A 599 -10.497 -4.461 12.334 1.00 1.36 C ATOM 1048 O MET A 599 -11.454 -4.157 11.611 1.00 1.50 O ATOM 1049 CB MET A 599 -8.558 -6.130 12.150 1.00 1.71 C ATOM 1050 CG MET A 599 -8.092 -7.583 12.100 1.00 2.13 C ATOM 1051 SD MET A 599 -6.387 -7.742 11.492 1.00 2.62 S ATOM 1052 CE MET A 599 -6.606 -7.295 9.746 1.00 2.65 C ATOM 0 H MET A 599 -11.016 -6.579 10.770 1.00 1.81 H new ATOM 0 HA MET A 599 -10.126 -6.168 13.544 1.00 1.59 H new ATOM 0 HB2 MET A 599 -8.353 -5.669 11.184 1.00 1.71 H new ATOM 0 HB3 MET A 599 -7.957 -5.601 12.890 1.00 1.71 H new ATOM 0 HG2 MET A 599 -8.162 -8.019 13.097 1.00 2.13 H new ATOM 0 HG3 MET A 599 -8.760 -8.154 11.455 1.00 2.13 H new ATOM 0 HE1 MET A 599 -5.756 -7.659 9.168 1.00 2.65 H new ATOM 0 HE2 MET A 599 -7.523 -7.747 9.367 1.00 2.65 H new ATOM 0 HE3 MET A 599 -6.671 -6.211 9.653 1.00 2.65 H new ATOM 1062 N LYS A 600 -9.791 -3.566 13.023 1.00 1.34 N ATOM 1063 CA LYS A 600 -9.408 -2.245 12.546 1.00 1.33 C ATOM 1064 C LYS A 600 -7.932 -2.157 12.175 1.00 1.36 C ATOM 1065 O LYS A 600 -7.093 -2.874 12.720 1.00 1.52 O ATOM 1066 CB LYS A 600 -9.676 -1.182 13.642 1.00 1.40 C ATOM 1067 CG LYS A 600 -11.092 -0.620 13.775 1.00 1.28 C ATOM 1068 CD LYS A 600 -12.210 -1.654 13.747 1.00 1.69 C ATOM 1069 CE LYS A 600 -12.183 -2.671 14.901 1.00 2.30 C ATOM 1070 NZ LYS A 600 -12.854 -2.148 16.113 1.00 2.84 N ATOM 0 H LYS A 600 -9.458 -3.753 13.969 1.00 1.34 H new ATOM 0 HA LYS A 600 -10.008 -2.060 11.655 1.00 1.33 H new ATOM 0 HB2 LYS A 600 -9.399 -1.617 14.602 1.00 1.40 H new ATOM 0 HB3 LYS A 600 -9.001 -0.345 13.465 1.00 1.40 H new ATOM 0 HG2 LYS A 600 -11.158 -0.064 14.710 1.00 1.28 H new ATOM 0 HG3 LYS A 600 -11.259 0.093 12.968 1.00 1.28 H new ATOM 0 HD2 LYS A 600 -13.167 -1.133 13.764 1.00 1.69 H new ATOM 0 HD3 LYS A 600 -12.159 -2.197 12.803 1.00 1.69 H new ATOM 0 HE2 LYS A 600 -12.672 -3.592 14.584 1.00 2.30 H new ATOM 0 HE3 LYS A 600 -11.150 -2.924 15.138 1.00 2.30 H new ATOM 0 HZ1 LYS A 600 -12.814 -2.863 16.867 1.00 2.84 H new ATOM 0 HZ2 LYS A 600 -12.372 -1.283 16.430 1.00 2.84 H new ATOM 0 HZ3 LYS A 600 -13.847 -1.931 15.894 1.00 2.84 H new ATOM 1084 N LEU A 601 -7.650 -1.188 11.310 1.00 1.22 N ATOM 1085 CA LEU A 601 -6.303 -0.670 10.991 1.00 1.18 C ATOM 1086 C LEU A 601 -6.266 0.867 11.126 1.00 1.07 C ATOM 1087 O LEU A 601 -7.260 1.531 10.839 1.00 1.07 O ATOM 1088 CB LEU A 601 -5.852 -1.129 9.583 1.00 1.27 C ATOM 1089 CG LEU A 601 -4.621 -2.048 9.545 1.00 1.43 C ATOM 1090 CD1 LEU A 601 -4.957 -3.418 10.125 1.00 1.57 C ATOM 1091 CD2 LEU A 601 -4.185 -2.259 8.093 1.00 1.57 C ATOM 0 H LEU A 601 -8.382 -0.713 10.782 1.00 1.22 H new ATOM 0 HA LEU A 601 -5.596 -1.084 11.710 1.00 1.18 H new ATOM 0 HB2 LEU A 601 -6.684 -1.647 9.106 1.00 1.27 H new ATOM 0 HB3 LEU A 601 -5.641 -0.244 8.983 1.00 1.27 H new ATOM 0 HG LEU A 601 -3.830 -1.577 10.129 1.00 1.43 H new ATOM 0 HD11 LEU A 601 -4.073 -4.055 10.090 1.00 1.57 H new ATOM 0 HD12 LEU A 601 -5.282 -3.305 11.159 1.00 1.57 H new ATOM 0 HD13 LEU A 601 -5.756 -3.874 9.541 1.00 1.57 H new ATOM 0 HD21 LEU A 601 -3.312 -2.911 8.066 1.00 1.57 H new ATOM 0 HD22 LEU A 601 -4.999 -2.719 7.532 1.00 1.57 H new ATOM 0 HD23 LEU A 601 -3.934 -1.298 7.645 1.00 1.57 H new ATOM 1103 N SER A 602 -5.129 1.434 11.536 1.00 1.04 N ATOM 1104 CA SER A 602 -4.970 2.855 11.919 1.00 1.00 C ATOM 1105 C SER A 602 -3.796 3.561 11.222 1.00 1.03 C ATOM 1106 O SER A 602 -2.927 2.918 10.631 1.00 1.23 O ATOM 1107 CB SER A 602 -4.849 2.973 13.446 1.00 1.09 C ATOM 1108 OG SER A 602 -3.846 2.113 13.960 1.00 1.83 O ATOM 0 H SER A 602 -4.260 0.906 11.616 1.00 1.04 H new ATOM 0 HA SER A 602 -5.866 3.372 11.576 1.00 1.00 H new ATOM 0 HB2 SER A 602 -4.617 4.004 13.714 1.00 1.09 H new ATOM 0 HB3 SER A 602 -5.807 2.731 13.907 1.00 1.09 H new ATOM 0 HG SER A 602 -3.795 2.215 14.933 1.00 1.83 H new ATOM 1114 N ASP A 603 -3.777 4.898 11.257 1.00 0.91 N ATOM 1115 CA ASP A 603 -2.862 5.748 10.475 1.00 0.92 C ATOM 1116 C ASP A 603 -1.367 5.359 10.545 1.00 1.06 C ATOM 1117 O ASP A 603 -0.863 4.893 11.570 1.00 1.16 O ATOM 1118 CB ASP A 603 -3.070 7.225 10.836 1.00 1.01 C ATOM 1119 CG ASP A 603 -2.467 7.597 12.190 1.00 1.16 C ATOM 1120 OD1 ASP A 603 -3.105 7.328 13.234 1.00 1.83 O ATOM 1121 OD2 ASP A 603 -1.367 8.200 12.209 1.00 1.65 O ATOM 0 H ASP A 603 -4.413 5.437 11.845 1.00 0.91 H new ATOM 0 HA ASP A 603 -3.132 5.576 9.433 1.00 0.92 H new ATOM 0 HB2 ASP A 603 -2.624 7.849 10.062 1.00 1.01 H new ATOM 0 HB3 ASP A 603 -4.138 7.444 10.847 1.00 1.01 H new ATOM 1126 N GLY A 604 -0.659 5.533 9.427 1.00 1.18 N ATOM 1127 CA GLY A 604 0.697 5.022 9.189 1.00 1.41 C ATOM 1128 C GLY A 604 0.735 3.604 8.601 1.00 1.54 C ATOM 1129 O GLY A 604 1.715 3.244 7.947 1.00 1.95 O ATOM 0 H GLY A 604 -1.027 6.053 8.631 1.00 1.18 H new ATOM 0 HA2 GLY A 604 1.216 5.700 8.511 1.00 1.41 H new ATOM 0 HA3 GLY A 604 1.247 5.029 10.130 1.00 1.41 H new ATOM 1133 N SER A 605 -0.338 2.826 8.779 1.00 1.37 N ATOM 1134 CA SER A 605 -0.508 1.484 8.201 1.00 1.46 C ATOM 1135 C SER A 605 -0.683 1.492 6.678 1.00 1.45 C ATOM 1136 O SER A 605 -0.967 2.517 6.057 1.00 1.35 O ATOM 1137 CB SER A 605 -1.739 0.804 8.804 1.00 1.39 C ATOM 1138 OG SER A 605 -1.580 0.606 10.197 1.00 1.46 O ATOM 0 H SER A 605 -1.135 3.118 9.344 1.00 1.37 H new ATOM 0 HA SER A 605 0.409 0.944 8.437 1.00 1.46 H new ATOM 0 HB2 SER A 605 -2.623 1.414 8.619 1.00 1.39 H new ATOM 0 HB3 SER A 605 -1.905 -0.155 8.314 1.00 1.39 H new ATOM 0 HG SER A 605 -1.999 1.347 10.683 1.00 1.46 H new ATOM 1144 N TYR A 606 -0.590 0.306 6.087 1.00 1.52 N ATOM 1145 CA TYR A 606 -0.702 0.034 4.657 1.00 1.45 C ATOM 1146 C TYR A 606 -1.582 -1.214 4.405 1.00 1.40 C ATOM 1147 O TYR A 606 -1.650 -2.119 5.243 1.00 1.55 O ATOM 1148 CB TYR A 606 0.729 -0.078 4.086 1.00 1.54 C ATOM 1149 CG TYR A 606 0.922 -1.257 3.166 1.00 1.91 C ATOM 1150 CD1 TYR A 606 0.391 -1.206 1.867 1.00 3.68 C ATOM 1151 CD2 TYR A 606 1.455 -2.453 3.677 1.00 1.99 C ATOM 1152 CE1 TYR A 606 0.344 -2.379 1.087 1.00 5.02 C ATOM 1153 CE2 TYR A 606 1.434 -3.620 2.894 1.00 3.17 C ATOM 1154 CZ TYR A 606 0.847 -3.591 1.610 1.00 4.63 C ATOM 1155 OH TYR A 606 0.690 -4.753 0.923 1.00 6.15 O ATOM 0 H TYR A 606 -0.424 -0.544 6.626 1.00 1.52 H new ATOM 0 HA TYR A 606 -1.210 0.844 4.134 1.00 1.45 H new ATOM 0 HB2 TYR A 606 0.968 0.837 3.545 1.00 1.54 H new ATOM 0 HB3 TYR A 606 1.436 -0.153 4.912 1.00 1.54 H new ATOM 0 HD1 TYR A 606 0.021 -0.273 1.468 1.00 3.68 H new ATOM 0 HD2 TYR A 606 1.880 -2.475 4.670 1.00 1.99 H new ATOM 0 HE1 TYR A 606 -0.075 -2.351 0.092 1.00 5.02 H new ATOM 0 HE2 TYR A 606 1.865 -4.535 3.273 1.00 3.17 H new ATOM 0 HH TYR A 606 -0.029 -4.650 0.266 1.00 6.15 H new ATOM 1165 N PHE A 607 -2.258 -1.264 3.252 1.00 1.23 N ATOM 1166 CA PHE A 607 -3.070 -2.404 2.809 1.00 1.26 C ATOM 1167 C PHE A 607 -3.189 -2.527 1.270 1.00 1.41 C ATOM 1168 O PHE A 607 -2.690 -1.703 0.498 1.00 1.76 O ATOM 1169 CB PHE A 607 -4.444 -2.340 3.511 1.00 1.53 C ATOM 1170 CG PHE A 607 -5.091 -0.969 3.597 1.00 1.22 C ATOM 1171 CD1 PHE A 607 -5.073 -0.086 2.502 1.00 2.05 C ATOM 1172 CD2 PHE A 607 -5.702 -0.564 4.797 1.00 2.14 C ATOM 1173 CE1 PHE A 607 -5.644 1.190 2.602 1.00 2.30 C ATOM 1174 CE2 PHE A 607 -6.276 0.712 4.889 1.00 2.06 C ATOM 1175 CZ PHE A 607 -6.241 1.592 3.803 1.00 1.51 C ATOM 0 H PHE A 607 -2.256 -0.493 2.584 1.00 1.23 H new ATOM 0 HA PHE A 607 -2.557 -3.320 3.104 1.00 1.26 H new ATOM 0 HB2 PHE A 607 -5.127 -3.009 2.988 1.00 1.53 H new ATOM 0 HB3 PHE A 607 -4.330 -2.729 4.523 1.00 1.53 H new ATOM 0 HD1 PHE A 607 -4.614 -0.395 1.574 1.00 2.05 H new ATOM 0 HD2 PHE A 607 -5.729 -1.233 5.644 1.00 2.14 H new ATOM 0 HE1 PHE A 607 -5.624 1.861 1.756 1.00 2.30 H new ATOM 0 HE2 PHE A 607 -6.751 1.019 5.809 1.00 2.06 H new ATOM 0 HZ PHE A 607 -6.673 2.578 3.890 1.00 1.51 H new ATOM 1185 N GLY A 608 -3.867 -3.587 0.830 1.00 1.49 N ATOM 1186 CA GLY A 608 -3.827 -4.119 -0.535 1.00 1.77 C ATOM 1187 C GLY A 608 -2.671 -5.111 -0.672 1.00 2.16 C ATOM 1188 O GLY A 608 -1.504 -4.719 -0.692 1.00 3.49 O ATOM 0 H GLY A 608 -4.486 -4.122 1.440 1.00 1.49 H new ATOM 0 HA2 GLY A 608 -4.770 -4.611 -0.771 1.00 1.77 H new ATOM 0 HA3 GLY A 608 -3.706 -3.304 -1.249 1.00 1.77 H new ATOM 1192 N GLU A 609 -2.980 -6.407 -0.749 1.00 1.85 N ATOM 1193 CA GLU A 609 -2.002 -7.499 -0.594 1.00 2.26 C ATOM 1194 C GLU A 609 -1.433 -8.000 -1.937 1.00 1.92 C ATOM 1195 O GLU A 609 -0.941 -9.123 -2.048 1.00 2.70 O ATOM 1196 CB GLU A 609 -2.591 -8.606 0.308 1.00 3.58 C ATOM 1197 CG GLU A 609 -1.503 -9.268 1.171 1.00 4.88 C ATOM 1198 CD GLU A 609 -2.037 -10.340 2.132 1.00 5.71 C ATOM 1199 OE1 GLU A 609 -3.201 -10.258 2.600 1.00 6.17 O ATOM 1200 OE2 GLU A 609 -1.269 -11.266 2.487 1.00 6.50 O ATOM 0 H GLU A 609 -3.929 -6.738 -0.923 1.00 1.85 H new ATOM 0 HA GLU A 609 -1.122 -7.107 -0.084 1.00 2.26 H new ATOM 0 HB2 GLU A 609 -3.360 -8.181 0.953 1.00 3.58 H new ATOM 0 HB3 GLU A 609 -3.076 -9.361 -0.311 1.00 3.58 H new ATOM 0 HG2 GLU A 609 -0.758 -9.720 0.516 1.00 4.88 H new ATOM 0 HG3 GLU A 609 -0.993 -8.497 1.749 1.00 4.88 H new ATOM 1207 N ILE A 610 -1.503 -7.167 -2.980 1.00 2.55 N ATOM 1208 CA ILE A 610 -0.965 -7.447 -4.314 1.00 3.41 C ATOM 1209 C ILE A 610 0.567 -7.466 -4.226 1.00 2.34 C ATOM 1210 O ILE A 610 1.198 -6.425 -4.041 1.00 3.21 O ATOM 1211 CB ILE A 610 -1.473 -6.402 -5.348 1.00 5.52 C ATOM 1212 CG1 ILE A 610 -2.989 -6.508 -5.652 1.00 7.16 C ATOM 1213 CG2 ILE A 610 -0.748 -6.557 -6.701 1.00 6.49 C ATOM 1214 CD1 ILE A 610 -3.932 -6.001 -4.552 1.00 7.84 C ATOM 0 H ILE A 610 -1.949 -6.252 -2.917 1.00 2.55 H new ATOM 0 HA ILE A 610 -1.313 -8.420 -4.660 1.00 3.41 H new ATOM 0 HB ILE A 610 -1.265 -5.440 -4.881 1.00 5.52 H new ATOM 0 HG12 ILE A 610 -3.196 -5.951 -6.566 1.00 7.16 H new ATOM 0 HG13 ILE A 610 -3.227 -7.552 -5.854 1.00 7.16 H new ATOM 0 HG21 ILE A 610 -1.125 -5.813 -7.403 1.00 6.49 H new ATOM 0 HG22 ILE A 610 0.323 -6.412 -6.559 1.00 6.49 H new ATOM 0 HG23 ILE A 610 -0.929 -7.555 -7.099 1.00 6.49 H new ATOM 0 HD11 ILE A 610 -4.966 -6.124 -4.874 1.00 7.84 H new ATOM 0 HD12 ILE A 610 -3.766 -6.572 -3.639 1.00 7.84 H new ATOM 0 HD13 ILE A 610 -3.735 -4.946 -4.361 1.00 7.84 H new ATOM 1226 N CYS A 611 1.187 -8.637 -4.403 1.00 2.05 N ATOM 1227 CA CYS A 611 2.634 -8.697 -4.595 1.00 2.30 C ATOM 1228 C CYS A 611 3.001 -8.065 -5.948 1.00 1.81 C ATOM 1229 O CYS A 611 2.412 -8.382 -6.977 1.00 2.50 O ATOM 1230 CB CYS A 611 3.149 -10.138 -4.449 1.00 4.24 C ATOM 1231 SG CYS A 611 4.957 -10.152 -4.651 1.00 5.73 S ATOM 0 H CYS A 611 0.716 -9.542 -4.417 1.00 2.05 H new ATOM 0 HA CYS A 611 3.131 -8.118 -3.816 1.00 2.30 H new ATOM 0 HB2 CYS A 611 2.877 -10.536 -3.471 1.00 4.24 H new ATOM 0 HB3 CYS A 611 2.683 -10.781 -5.196 1.00 4.24 H new ATOM 0 HG CYS A 611 5.398 -11.368 -4.526 1.00 5.73 H new ATOM 1237 N LEU A 612 4.026 -7.214 -5.965 1.00 1.67 N ATOM 1238 CA LEU A 612 4.600 -6.587 -7.165 1.00 1.69 C ATOM 1239 C LEU A 612 4.952 -7.597 -8.272 1.00 2.09 C ATOM 1240 O LEU A 612 4.851 -7.248 -9.449 1.00 2.43 O ATOM 1241 CB LEU A 612 5.867 -5.854 -6.673 1.00 2.03 C ATOM 1242 CG LEU A 612 5.510 -4.538 -5.966 1.00 1.53 C ATOM 1243 CD1 LEU A 612 6.338 -4.256 -4.724 1.00 1.86 C ATOM 1244 CD2 LEU A 612 5.682 -3.353 -6.905 1.00 1.18 C ATOM 0 H LEU A 612 4.502 -6.928 -5.110 1.00 1.67 H new ATOM 0 HA LEU A 612 3.873 -5.916 -7.623 1.00 1.69 H new ATOM 0 HB2 LEU A 612 6.420 -6.498 -5.990 1.00 2.03 H new ATOM 0 HB3 LEU A 612 6.523 -5.649 -7.519 1.00 2.03 H new ATOM 0 HG LEU A 612 4.471 -4.664 -5.663 1.00 1.53 H new ATOM 0 HD11 LEU A 612 6.024 -3.309 -4.285 1.00 1.86 H new ATOM 0 HD12 LEU A 612 6.193 -5.058 -4.000 1.00 1.86 H new ATOM 0 HD13 LEU A 612 7.392 -4.198 -4.995 1.00 1.86 H new ATOM 0 HD21 LEU A 612 5.423 -2.433 -6.381 1.00 1.18 H new ATOM 0 HD22 LEU A 612 6.718 -3.301 -7.239 1.00 1.18 H new ATOM 0 HD23 LEU A 612 5.028 -3.475 -7.768 1.00 1.18 H new ATOM 1256 N LEU A 613 5.318 -8.829 -7.901 1.00 2.29 N ATOM 1257 CA LEU A 613 5.699 -9.927 -8.798 1.00 2.75 C ATOM 1258 C LEU A 613 4.562 -10.927 -9.065 1.00 2.83 C ATOM 1259 O LEU A 613 4.740 -11.898 -9.803 1.00 3.28 O ATOM 1260 CB LEU A 613 6.955 -10.632 -8.249 1.00 3.20 C ATOM 1261 CG LEU A 613 8.163 -9.687 -8.153 1.00 3.89 C ATOM 1262 CD1 LEU A 613 8.323 -9.043 -6.772 1.00 3.76 C ATOM 1263 CD2 LEU A 613 9.462 -10.437 -8.445 1.00 4.82 C ATOM 0 H LEU A 613 5.359 -9.101 -6.919 1.00 2.29 H new ATOM 0 HA LEU A 613 5.924 -9.487 -9.769 1.00 2.75 H new ATOM 0 HB2 LEU A 613 6.737 -11.040 -7.262 1.00 3.20 H new ATOM 0 HB3 LEU A 613 7.206 -11.474 -8.894 1.00 3.20 H new ATOM 0 HG LEU A 613 7.971 -8.907 -8.890 1.00 3.89 H new ATOM 0 HD11 LEU A 613 9.195 -8.388 -6.775 1.00 3.76 H new ATOM 0 HD12 LEU A 613 7.432 -8.460 -6.537 1.00 3.76 H new ATOM 0 HD13 LEU A 613 8.456 -9.821 -6.021 1.00 3.76 H new ATOM 0 HD21 LEU A 613 10.304 -9.749 -8.371 1.00 4.82 H new ATOM 0 HD22 LEU A 613 9.588 -11.243 -7.721 1.00 4.82 H new ATOM 0 HD23 LEU A 613 9.422 -10.856 -9.451 1.00 4.82 H new ATOM 1275 N THR A 614 3.385 -10.677 -8.490 1.00 2.53 N ATOM 1276 CA THR A 614 2.208 -11.546 -8.638 1.00 2.64 C ATOM 1277 C THR A 614 1.745 -11.658 -10.091 1.00 2.89 C ATOM 1278 O THR A 614 1.986 -10.770 -10.922 1.00 3.36 O ATOM 1279 CB THR A 614 1.041 -11.104 -7.734 1.00 3.32 C ATOM 1280 OG1 THR A 614 0.218 -12.201 -7.397 1.00 3.56 O ATOM 1281 CG2 THR A 614 0.129 -10.034 -8.338 1.00 4.81 C ATOM 0 H THR A 614 3.216 -9.860 -7.903 1.00 2.53 H new ATOM 0 HA THR A 614 2.528 -12.536 -8.314 1.00 2.64 H new ATOM 0 HB THR A 614 1.536 -10.676 -6.862 1.00 3.32 H new ATOM 0 HG1 THR A 614 -0.514 -11.896 -6.822 1.00 3.56 H new ATOM 0 HG21 THR A 614 -0.662 -9.788 -7.629 1.00 4.81 H new ATOM 0 HG22 THR A 614 0.712 -9.139 -8.556 1.00 4.81 H new ATOM 0 HG23 THR A 614 -0.314 -10.412 -9.259 1.00 4.81 H new ATOM 1289 N ARG A 615 1.002 -12.731 -10.364 1.00 2.86 N ATOM 1290 CA ARG A 615 0.158 -12.909 -11.552 1.00 3.18 C ATOM 1291 C ARG A 615 -1.307 -12.940 -11.116 1.00 2.94 C ATOM 1292 O ARG A 615 -1.616 -13.449 -10.036 1.00 2.82 O ATOM 1293 CB ARG A 615 0.528 -14.197 -12.313 1.00 3.68 C ATOM 1294 CG ARG A 615 1.882 -14.182 -13.045 1.00 3.93 C ATOM 1295 CD ARG A 615 3.103 -14.128 -12.114 1.00 3.67 C ATOM 1296 NE ARG A 615 4.271 -14.775 -12.729 1.00 4.73 N ATOM 1297 CZ ARG A 615 5.546 -14.576 -12.464 1.00 5.70 C ATOM 1298 NH1 ARG A 615 5.976 -13.702 -11.602 1.00 6.14 N ATOM 1299 NH2 ARG A 615 6.430 -15.293 -13.087 1.00 6.89 N ATOM 0 H ARG A 615 0.969 -13.536 -9.738 1.00 2.86 H new ATOM 0 HA ARG A 615 0.321 -12.074 -12.234 1.00 3.18 H new ATOM 0 HB2 ARG A 615 0.529 -15.026 -11.605 1.00 3.68 H new ATOM 0 HB3 ARG A 615 -0.255 -14.402 -13.043 1.00 3.68 H new ATOM 0 HG2 ARG A 615 1.954 -15.073 -13.669 1.00 3.93 H new ATOM 0 HG3 ARG A 615 1.911 -13.322 -13.713 1.00 3.93 H new ATOM 0 HD2 ARG A 615 3.340 -13.090 -11.881 1.00 3.67 H new ATOM 0 HD3 ARG A 615 2.866 -14.620 -11.171 1.00 3.67 H new ATOM 0 HE ARG A 615 4.069 -15.465 -13.452 1.00 4.73 H new ATOM 0 HH11 ARG A 615 5.312 -13.124 -11.087 1.00 6.14 H new ATOM 0 HH12 ARG A 615 6.977 -13.595 -11.441 1.00 6.14 H new ATOM 0 HH21 ARG A 615 6.132 -15.993 -13.766 1.00 6.89 H new ATOM 0 HH22 ARG A 615 7.423 -15.156 -12.898 1.00 6.89 H new ATOM 1313 N GLY A 616 -2.208 -12.426 -11.946 1.00 3.31 N ATOM 1314 CA GLY A 616 -3.651 -12.476 -11.688 1.00 3.32 C ATOM 1315 C GLY A 616 -4.161 -11.554 -10.568 1.00 2.76 C ATOM 1316 O GLY A 616 -3.390 -10.876 -9.881 1.00 2.81 O ATOM 0 H GLY A 616 -1.962 -11.961 -12.820 1.00 3.31 H new ATOM 0 HA2 GLY A 616 -4.175 -12.222 -12.609 1.00 3.32 H new ATOM 0 HA3 GLY A 616 -3.922 -13.502 -11.440 1.00 3.32 H new ATOM 1320 N ARG A 617 -5.485 -11.524 -10.379 1.00 2.61 N ATOM 1321 CA ARG A 617 -6.188 -10.813 -9.287 1.00 2.29 C ATOM 1322 C ARG A 617 -6.002 -11.465 -7.900 1.00 2.15 C ATOM 1323 O ARG A 617 -5.614 -12.628 -7.789 1.00 2.60 O ATOM 1324 CB ARG A 617 -7.663 -10.625 -9.683 1.00 2.85 C ATOM 1325 CG ARG A 617 -8.452 -11.941 -9.821 1.00 1.86 C ATOM 1326 CD ARG A 617 -9.538 -11.788 -10.893 1.00 1.90 C ATOM 1327 NE ARG A 617 -10.201 -13.073 -11.188 1.00 2.25 N ATOM 1328 CZ ARG A 617 -11.233 -13.604 -10.554 1.00 2.78 C ATOM 1329 NH1 ARG A 617 -11.773 -13.054 -9.506 1.00 3.54 N ATOM 1330 NH2 ARG A 617 -11.754 -14.727 -10.947 1.00 3.62 N ATOM 0 H ARG A 617 -6.128 -12.011 -11.003 1.00 2.61 H new ATOM 0 HA ARG A 617 -5.731 -9.831 -9.166 1.00 2.29 H new ATOM 0 HB2 ARG A 617 -8.151 -9.998 -8.937 1.00 2.85 H new ATOM 0 HB3 ARG A 617 -7.708 -10.087 -10.630 1.00 2.85 H new ATOM 0 HG2 ARG A 617 -7.777 -12.754 -10.088 1.00 1.86 H new ATOM 0 HG3 ARG A 617 -8.906 -12.205 -8.866 1.00 1.86 H new ATOM 0 HD2 ARG A 617 -10.281 -11.064 -10.557 1.00 1.90 H new ATOM 0 HD3 ARG A 617 -9.095 -11.390 -11.806 1.00 1.90 H new ATOM 0 HE ARG A 617 -9.821 -13.611 -11.967 1.00 2.25 H new ATOM 0 HH11 ARG A 617 -11.401 -12.177 -9.141 1.00 3.54 H new ATOM 0 HH12 ARG A 617 -12.568 -13.500 -9.049 1.00 3.54 H new ATOM 0 HH21 ARG A 617 -11.367 -15.213 -11.756 1.00 3.62 H new ATOM 0 HH22 ARG A 617 -12.550 -15.123 -10.447 1.00 3.62 H new ATOM 1344 N ARG A 618 -6.280 -10.690 -6.847 1.00 1.84 N ATOM 1345 CA ARG A 618 -5.995 -10.953 -5.414 1.00 2.02 C ATOM 1346 C ARG A 618 -7.297 -10.971 -4.586 1.00 1.98 C ATOM 1347 O ARG A 618 -8.381 -10.797 -5.148 1.00 2.27 O ATOM 1348 CB ARG A 618 -4.967 -9.895 -4.950 1.00 2.27 C ATOM 1349 CG ARG A 618 -4.203 -10.121 -3.630 1.00 2.24 C ATOM 1350 CD ARG A 618 -3.108 -11.197 -3.678 1.00 2.72 C ATOM 1351 NE ARG A 618 -3.603 -12.568 -3.447 1.00 3.42 N ATOM 1352 CZ ARG A 618 -3.525 -13.590 -4.281 1.00 4.65 C ATOM 1353 NH1 ARG A 618 -3.256 -13.471 -5.544 1.00 5.63 N ATOM 1354 NH2 ARG A 618 -3.717 -14.812 -3.894 1.00 5.52 N ATOM 0 H ARG A 618 -6.746 -9.791 -6.973 1.00 1.84 H new ATOM 0 HA ARG A 618 -5.563 -11.942 -5.264 1.00 2.02 H new ATOM 0 HB2 ARG A 618 -4.227 -9.785 -5.743 1.00 2.27 H new ATOM 0 HB3 ARG A 618 -5.490 -8.942 -4.868 1.00 2.27 H new ATOM 0 HG2 ARG A 618 -3.749 -9.178 -3.327 1.00 2.24 H new ATOM 0 HG3 ARG A 618 -4.921 -10.392 -2.856 1.00 2.24 H new ATOM 0 HD2 ARG A 618 -2.617 -11.158 -4.650 1.00 2.72 H new ATOM 0 HD3 ARG A 618 -2.351 -10.964 -2.929 1.00 2.72 H new ATOM 0 HE ARG A 618 -4.053 -12.745 -2.549 1.00 3.42 H new ATOM 0 HH11 ARG A 618 -3.090 -12.548 -5.945 1.00 5.63 H new ATOM 0 HH12 ARG A 618 -3.210 -14.300 -6.136 1.00 5.63 H new ATOM 0 HH21 ARG A 618 -3.936 -15.009 -2.918 1.00 5.52 H new ATOM 0 HH22 ARG A 618 -3.649 -15.576 -4.566 1.00 5.52 H new ATOM 1368 N THR A 619 -7.230 -11.250 -3.282 1.00 2.18 N ATOM 1369 CA THR A 619 -8.357 -11.037 -2.351 1.00 2.28 C ATOM 1370 C THR A 619 -7.972 -10.149 -1.162 1.00 2.25 C ATOM 1371 O THR A 619 -7.051 -10.471 -0.407 1.00 2.41 O ATOM 1372 CB THR A 619 -8.926 -12.372 -1.838 1.00 2.95 C ATOM 1373 OG1 THR A 619 -9.255 -13.208 -2.926 1.00 3.44 O ATOM 1374 CG2 THR A 619 -10.213 -12.208 -1.028 1.00 3.17 C ATOM 0 H THR A 619 -6.396 -11.630 -2.835 1.00 2.18 H new ATOM 0 HA THR A 619 -9.127 -10.520 -2.923 1.00 2.28 H new ATOM 0 HB THR A 619 -8.147 -12.794 -1.203 1.00 2.95 H new ATOM 0 HG1 THR A 619 -9.615 -14.056 -2.590 1.00 3.44 H new ATOM 0 HG21 THR A 619 -10.561 -13.186 -0.696 1.00 3.17 H new ATOM 0 HG22 THR A 619 -10.019 -11.578 -0.160 1.00 3.17 H new ATOM 0 HG23 THR A 619 -10.978 -11.742 -1.650 1.00 3.17 H new ATOM 1382 N ALA A 620 -8.728 -9.071 -0.954 1.00 2.17 N ATOM 1383 CA ALA A 620 -8.926 -8.367 0.312 1.00 1.98 C ATOM 1384 C ALA A 620 -10.338 -7.743 0.367 1.00 1.90 C ATOM 1385 O ALA A 620 -11.000 -7.572 -0.661 1.00 2.12 O ATOM 1386 CB ALA A 620 -7.842 -7.296 0.492 1.00 2.13 C ATOM 0 H ALA A 620 -9.252 -8.639 -1.715 1.00 2.17 H new ATOM 0 HA ALA A 620 -8.843 -9.080 1.132 1.00 1.98 H new ATOM 0 HB1 ALA A 620 -7.997 -6.777 1.438 1.00 2.13 H new ATOM 0 HB2 ALA A 620 -6.860 -7.769 0.495 1.00 2.13 H new ATOM 0 HB3 ALA A 620 -7.898 -6.580 -0.328 1.00 2.13 H new ATOM 1392 N SER A 621 -10.793 -7.379 1.570 1.00 1.80 N ATOM 1393 CA SER A 621 -12.050 -6.651 1.784 1.00 1.80 C ATOM 1394 C SER A 621 -11.919 -5.704 2.981 1.00 1.65 C ATOM 1395 O SER A 621 -11.672 -6.133 4.111 1.00 1.71 O ATOM 1396 CB SER A 621 -13.192 -7.650 1.989 1.00 1.89 C ATOM 1397 OG SER A 621 -14.439 -6.994 1.888 1.00 2.11 O ATOM 0 H SER A 621 -10.293 -7.584 2.435 1.00 1.80 H new ATOM 0 HA SER A 621 -12.273 -6.046 0.905 1.00 1.80 H new ATOM 0 HB2 SER A 621 -13.129 -8.443 1.244 1.00 1.89 H new ATOM 0 HB3 SER A 621 -13.100 -8.123 2.967 1.00 1.89 H new ATOM 0 HG SER A 621 -15.162 -7.643 2.019 1.00 2.11 H new ATOM 1403 N VAL A 622 -11.983 -4.392 2.732 1.00 1.51 N ATOM 1404 CA VAL A 622 -11.848 -3.363 3.779 1.00 1.34 C ATOM 1405 C VAL A 622 -12.571 -2.058 3.421 1.00 1.25 C ATOM 1406 O VAL A 622 -12.580 -1.634 2.261 1.00 1.27 O ATOM 1407 CB VAL A 622 -10.358 -3.162 4.143 1.00 1.30 C ATOM 1408 CG1 VAL A 622 -9.432 -2.967 2.945 1.00 1.38 C ATOM 1409 CG2 VAL A 622 -10.120 -2.009 5.115 1.00 1.13 C ATOM 0 H VAL A 622 -12.130 -4.009 1.798 1.00 1.51 H new ATOM 0 HA VAL A 622 -12.355 -3.721 4.675 1.00 1.34 H new ATOM 0 HB VAL A 622 -10.106 -4.107 4.624 1.00 1.30 H new ATOM 0 HG11 VAL A 622 -8.408 -2.834 3.294 1.00 1.38 H new ATOM 0 HG12 VAL A 622 -9.484 -3.843 2.299 1.00 1.38 H new ATOM 0 HG13 VAL A 622 -9.742 -2.085 2.385 1.00 1.38 H new ATOM 0 HG21 VAL A 622 -9.054 -1.925 5.326 1.00 1.13 H new ATOM 0 HG22 VAL A 622 -10.476 -1.079 4.671 1.00 1.13 H new ATOM 0 HG23 VAL A 622 -10.660 -2.198 6.043 1.00 1.13 H new ATOM 1419 N ARG A 623 -13.158 -1.403 4.433 1.00 1.18 N ATOM 1420 CA ARG A 623 -13.864 -0.117 4.324 1.00 1.14 C ATOM 1421 C ARG A 623 -13.324 0.942 5.282 1.00 1.13 C ATOM 1422 O ARG A 623 -12.707 0.640 6.305 1.00 1.14 O ATOM 1423 CB ARG A 623 -15.390 -0.298 4.473 1.00 1.18 C ATOM 1424 CG ARG A 623 -15.864 -0.858 5.824 1.00 1.33 C ATOM 1425 CD ARG A 623 -16.031 -2.384 5.791 1.00 2.22 C ATOM 1426 NE ARG A 623 -16.414 -2.916 7.108 1.00 3.31 N ATOM 1427 CZ ARG A 623 -17.632 -2.999 7.606 1.00 3.25 C ATOM 1428 NH1 ARG A 623 -18.712 -2.617 6.991 1.00 2.42 N ATOM 1429 NH2 ARG A 623 -17.796 -3.501 8.786 1.00 4.87 N ATOM 0 H ARG A 623 -13.154 -1.767 5.386 1.00 1.18 H new ATOM 0 HA ARG A 623 -13.669 0.258 3.319 1.00 1.14 H new ATOM 0 HB2 ARG A 623 -15.870 0.667 4.312 1.00 1.18 H new ATOM 0 HB3 ARG A 623 -15.738 -0.963 3.682 1.00 1.18 H new ATOM 0 HG2 ARG A 623 -15.146 -0.589 6.599 1.00 1.33 H new ATOM 0 HG3 ARG A 623 -16.813 -0.396 6.094 1.00 1.33 H new ATOM 0 HD2 ARG A 623 -16.790 -2.652 5.055 1.00 2.22 H new ATOM 0 HD3 ARG A 623 -15.098 -2.846 5.469 1.00 2.22 H new ATOM 0 HE ARG A 623 -15.656 -3.257 7.699 1.00 3.31 H new ATOM 0 HH11 ARG A 623 -18.652 -2.219 6.054 1.00 2.42 H new ATOM 0 HH12 ARG A 623 -19.620 -2.715 7.446 1.00 2.42 H new ATOM 0 HH21 ARG A 623 -16.989 -3.826 9.318 1.00 4.87 H new ATOM 0 HH22 ARG A 623 -18.732 -3.572 9.185 1.00 4.87 H new ATOM 1443 N ALA A 624 -13.576 2.199 4.945 1.00 1.12 N ATOM 1444 CA ALA A 624 -13.257 3.345 5.782 1.00 1.04 C ATOM 1445 C ALA A 624 -14.086 3.314 7.080 1.00 1.10 C ATOM 1446 O ALA A 624 -15.314 3.282 7.027 1.00 1.16 O ATOM 1447 CB ALA A 624 -13.515 4.597 4.942 1.00 0.92 C ATOM 0 H ALA A 624 -14.018 2.455 4.062 1.00 1.12 H new ATOM 0 HA ALA A 624 -12.214 3.333 6.099 1.00 1.04 H new ATOM 0 HB1 ALA A 624 -13.288 5.485 5.533 1.00 0.92 H new ATOM 0 HB2 ALA A 624 -12.880 4.578 4.056 1.00 0.92 H new ATOM 0 HB3 ALA A 624 -14.561 4.622 4.638 1.00 0.92 H new ATOM 1453 N ASP A 625 -13.442 3.347 8.252 1.00 1.15 N ATOM 1454 CA ASP A 625 -14.161 3.448 9.537 1.00 1.25 C ATOM 1455 C ASP A 625 -14.800 4.830 9.703 1.00 1.18 C ATOM 1456 O ASP A 625 -15.816 5.002 10.383 1.00 1.33 O ATOM 1457 CB ASP A 625 -13.185 3.260 10.708 1.00 1.28 C ATOM 1458 CG ASP A 625 -13.919 2.853 11.984 1.00 1.47 C ATOM 1459 OD1 ASP A 625 -14.540 1.763 11.992 1.00 2.15 O ATOM 1460 OD2 ASP A 625 -13.912 3.629 12.965 1.00 2.26 O ATOM 0 H ASP A 625 -12.427 3.306 8.342 1.00 1.15 H new ATOM 0 HA ASP A 625 -14.928 2.674 9.537 1.00 1.25 H new ATOM 0 HB2 ASP A 625 -12.448 2.499 10.451 1.00 1.28 H new ATOM 0 HB3 ASP A 625 -12.638 4.187 10.881 1.00 1.28 H new ATOM 1465 N THR A 626 -14.140 5.811 9.091 1.00 1.01 N ATOM 1466 CA THR A 626 -14.294 7.241 9.333 1.00 0.94 C ATOM 1467 C THR A 626 -14.061 7.986 8.014 1.00 0.77 C ATOM 1468 O THR A 626 -13.752 7.371 6.994 1.00 0.70 O ATOM 1469 CB THR A 626 -13.314 7.646 10.453 1.00 0.97 C ATOM 1470 OG1 THR A 626 -13.299 9.036 10.655 1.00 1.00 O ATOM 1471 CG2 THR A 626 -11.870 7.194 10.207 1.00 0.93 C ATOM 0 H THR A 626 -13.444 5.616 8.372 1.00 1.01 H new ATOM 0 HA THR A 626 -15.297 7.501 9.670 1.00 0.94 H new ATOM 0 HB THR A 626 -13.691 7.132 11.337 1.00 0.97 H new ATOM 0 HG1 THR A 626 -12.669 9.256 11.373 1.00 1.00 H new ATOM 0 HG21 THR A 626 -11.242 7.516 11.037 1.00 0.93 H new ATOM 0 HG22 THR A 626 -11.837 6.107 10.127 1.00 0.93 H new ATOM 0 HG23 THR A 626 -11.503 7.637 9.281 1.00 0.93 H new ATOM 1479 N TYR A 627 -14.191 9.308 7.998 1.00 0.81 N ATOM 1480 CA TYR A 627 -13.690 10.141 6.909 1.00 0.78 C ATOM 1481 C TYR A 627 -12.151 10.016 6.919 1.00 0.71 C ATOM 1482 O TYR A 627 -11.484 10.622 7.760 1.00 0.86 O ATOM 1483 CB TYR A 627 -14.255 11.543 7.174 1.00 1.06 C ATOM 1484 CG TYR A 627 -14.110 12.651 6.142 1.00 1.58 C ATOM 1485 CD1 TYR A 627 -12.860 13.025 5.603 1.00 1.71 C ATOM 1486 CD2 TYR A 627 -15.256 13.401 5.814 1.00 3.18 C ATOM 1487 CE1 TYR A 627 -12.766 14.119 4.712 1.00 2.21 C ATOM 1488 CE2 TYR A 627 -15.164 14.494 4.934 1.00 3.84 C ATOM 1489 CZ TYR A 627 -13.924 14.854 4.371 1.00 3.02 C ATOM 1490 OH TYR A 627 -13.889 15.888 3.492 1.00 3.80 O ATOM 0 H TYR A 627 -14.648 9.835 8.742 1.00 0.81 H new ATOM 0 HA TYR A 627 -14.000 9.856 5.904 1.00 0.78 H new ATOM 0 HB2 TYR A 627 -15.321 11.426 7.371 1.00 1.06 H new ATOM 0 HB3 TYR A 627 -13.798 11.903 8.096 1.00 1.06 H new ATOM 0 HD1 TYR A 627 -11.972 12.473 5.872 1.00 1.71 H new ATOM 0 HD2 TYR A 627 -16.212 13.135 6.241 1.00 3.18 H new ATOM 0 HE1 TYR A 627 -11.809 14.393 4.292 1.00 2.21 H new ATOM 0 HE2 TYR A 627 -16.050 15.061 4.688 1.00 3.84 H new ATOM 0 HH TYR A 627 -14.789 16.262 3.391 1.00 3.80 H new ATOM 1500 N CYS A 628 -11.590 9.164 6.051 1.00 0.61 N ATOM 1501 CA CYS A 628 -10.188 8.728 6.095 1.00 0.60 C ATOM 1502 C CYS A 628 -9.375 9.343 4.937 1.00 0.69 C ATOM 1503 O CYS A 628 -9.784 9.271 3.772 1.00 0.73 O ATOM 1504 CB CYS A 628 -10.094 7.178 6.160 1.00 0.58 C ATOM 1505 SG CYS A 628 -10.493 6.380 4.585 1.00 1.96 S ATOM 0 H CYS A 628 -12.112 8.748 5.279 1.00 0.61 H new ATOM 0 HA CYS A 628 -9.733 9.103 7.012 1.00 0.60 H new ATOM 0 HB2 CYS A 628 -9.086 6.893 6.461 1.00 0.58 H new ATOM 0 HB3 CYS A 628 -10.772 6.810 6.930 1.00 0.58 H new ATOM 0 HG CYS A 628 -10.407 7.251 3.623 1.00 1.96 H new ATOM 1511 N ARG A 629 -8.205 9.914 5.256 1.00 0.77 N ATOM 1512 CA ARG A 629 -7.208 10.456 4.318 1.00 0.89 C ATOM 1513 C ARG A 629 -6.227 9.332 3.966 1.00 0.85 C ATOM 1514 O ARG A 629 -5.450 8.892 4.821 1.00 0.86 O ATOM 1515 CB ARG A 629 -6.461 11.634 4.994 1.00 1.06 C ATOM 1516 CG ARG A 629 -7.341 12.802 5.487 1.00 1.90 C ATOM 1517 CD ARG A 629 -7.514 13.907 4.438 1.00 1.65 C ATOM 1518 NE ARG A 629 -6.522 14.990 4.594 1.00 1.82 N ATOM 1519 CZ ARG A 629 -6.680 16.149 5.209 1.00 2.58 C ATOM 1520 NH1 ARG A 629 -7.742 16.497 5.869 1.00 3.58 N ATOM 1521 NH2 ARG A 629 -5.729 17.026 5.176 1.00 3.03 N ATOM 0 H ARG A 629 -7.912 10.016 6.228 1.00 0.77 H new ATOM 0 HA ARG A 629 -7.687 10.823 3.410 1.00 0.89 H new ATOM 0 HB2 ARG A 629 -5.902 11.243 5.844 1.00 1.06 H new ATOM 0 HB3 ARG A 629 -5.731 12.029 4.287 1.00 1.06 H new ATOM 0 HG2 ARG A 629 -8.322 12.418 5.767 1.00 1.90 H new ATOM 0 HG3 ARG A 629 -6.898 13.229 6.387 1.00 1.90 H new ATOM 0 HD2 ARG A 629 -7.423 13.476 3.441 1.00 1.65 H new ATOM 0 HD3 ARG A 629 -8.518 14.324 4.515 1.00 1.65 H new ATOM 0 HE ARG A 629 -5.606 14.824 4.177 1.00 1.82 H new ATOM 0 HH11 ARG A 629 -8.532 15.855 5.940 1.00 3.58 H new ATOM 0 HH12 ARG A 629 -7.787 17.412 6.317 1.00 3.58 H new ATOM 0 HH21 ARG A 629 -4.863 16.821 4.677 1.00 3.03 H new ATOM 0 HH22 ARG A 629 -5.845 17.922 5.649 1.00 3.03 H new ATOM 1535 N LEU A 630 -6.277 8.846 2.730 1.00 0.84 N ATOM 1536 CA LEU A 630 -5.424 7.764 2.223 1.00 0.87 C ATOM 1537 C LEU A 630 -4.501 8.279 1.095 1.00 0.92 C ATOM 1538 O LEU A 630 -4.668 9.375 0.558 1.00 1.04 O ATOM 1539 CB LEU A 630 -6.279 6.545 1.781 1.00 0.83 C ATOM 1540 CG LEU A 630 -7.347 6.010 2.766 1.00 0.83 C ATOM 1541 CD1 LEU A 630 -7.976 4.714 2.236 1.00 0.85 C ATOM 1542 CD2 LEU A 630 -6.830 5.677 4.171 1.00 0.90 C ATOM 0 H LEU A 630 -6.929 9.200 2.030 1.00 0.84 H new ATOM 0 HA LEU A 630 -4.779 7.419 3.031 1.00 0.87 H new ATOM 0 HB2 LEU A 630 -6.785 6.811 0.853 1.00 0.83 H new ATOM 0 HB3 LEU A 630 -5.598 5.726 1.550 1.00 0.83 H new ATOM 0 HG LEU A 630 -8.057 6.834 2.841 1.00 0.83 H new ATOM 0 HD11 LEU A 630 -8.723 4.356 2.944 1.00 0.85 H new ATOM 0 HD12 LEU A 630 -8.451 4.907 1.274 1.00 0.85 H new ATOM 0 HD13 LEU A 630 -7.201 3.957 2.113 1.00 0.85 H new ATOM 0 HD21 LEU A 630 -7.653 5.311 4.784 1.00 0.90 H new ATOM 0 HD22 LEU A 630 -6.059 4.910 4.103 1.00 0.90 H new ATOM 0 HD23 LEU A 630 -6.410 6.574 4.626 1.00 0.90 H new ATOM 1554 N TYR A 631 -3.506 7.476 0.738 1.00 0.88 N ATOM 1555 CA TYR A 631 -2.548 7.712 -0.346 1.00 0.92 C ATOM 1556 C TYR A 631 -2.390 6.435 -1.182 1.00 0.88 C ATOM 1557 O TYR A 631 -2.595 5.332 -0.669 1.00 1.05 O ATOM 1558 CB TYR A 631 -1.205 8.163 0.258 1.00 1.18 C ATOM 1559 CG TYR A 631 -0.836 9.608 -0.010 1.00 2.89 C ATOM 1560 CD1 TYR A 631 -0.104 9.941 -1.163 1.00 3.99 C ATOM 1561 CD2 TYR A 631 -1.209 10.615 0.899 1.00 4.34 C ATOM 1562 CE1 TYR A 631 0.247 11.281 -1.416 1.00 5.68 C ATOM 1563 CE2 TYR A 631 -0.831 11.954 0.670 1.00 5.99 C ATOM 1564 CZ TYR A 631 -0.107 12.289 -0.496 1.00 6.47 C ATOM 1565 OH TYR A 631 0.224 13.580 -0.761 1.00 8.24 O ATOM 0 H TYR A 631 -3.333 6.594 1.220 1.00 0.88 H new ATOM 0 HA TYR A 631 -2.910 8.500 -1.006 1.00 0.92 H new ATOM 0 HB2 TYR A 631 -1.238 8.006 1.336 1.00 1.18 H new ATOM 0 HB3 TYR A 631 -0.414 7.523 -0.134 1.00 1.18 H new ATOM 0 HD1 TYR A 631 0.190 9.167 -1.857 1.00 3.99 H new ATOM 0 HD2 TYR A 631 -1.787 10.361 1.775 1.00 4.34 H new ATOM 0 HE1 TYR A 631 0.788 11.537 -2.315 1.00 5.68 H new ATOM 0 HE2 TYR A 631 -1.094 12.721 1.384 1.00 5.99 H new ATOM 0 HH TYR A 631 -0.090 14.155 -0.032 1.00 8.24 H new ATOM 1575 N SER A 632 -2.025 6.554 -2.461 1.00 0.80 N ATOM 1576 CA SER A 632 -1.845 5.399 -3.351 1.00 0.89 C ATOM 1577 C SER A 632 -0.749 5.593 -4.408 1.00 0.88 C ATOM 1578 O SER A 632 -0.470 6.707 -4.866 1.00 1.05 O ATOM 1579 CB SER A 632 -3.184 5.052 -4.011 1.00 1.01 C ATOM 1580 OG SER A 632 -3.087 3.842 -4.734 1.00 2.07 O ATOM 0 H SER A 632 -1.846 7.452 -2.911 1.00 0.80 H new ATOM 0 HA SER A 632 -1.504 4.570 -2.731 1.00 0.89 H new ATOM 0 HB2 SER A 632 -3.959 4.965 -3.249 1.00 1.01 H new ATOM 0 HB3 SER A 632 -3.485 5.858 -4.680 1.00 1.01 H new ATOM 0 HG SER A 632 -2.826 3.118 -4.127 1.00 2.07 H new ATOM 1586 N LEU A 633 -0.142 4.470 -4.803 1.00 0.85 N ATOM 1587 CA LEU A 633 0.824 4.342 -5.894 1.00 1.04 C ATOM 1588 C LEU A 633 0.534 3.044 -6.652 1.00 0.99 C ATOM 1589 O LEU A 633 0.346 1.985 -6.044 1.00 0.93 O ATOM 1590 CB LEU A 633 2.259 4.345 -5.320 1.00 1.38 C ATOM 1591 CG LEU A 633 3.304 5.089 -6.174 1.00 1.91 C ATOM 1592 CD1 LEU A 633 4.649 5.069 -5.455 1.00 2.33 C ATOM 1593 CD2 LEU A 633 3.545 4.474 -7.550 1.00 2.30 C ATOM 0 H LEU A 633 -0.323 3.577 -4.344 1.00 0.85 H new ATOM 0 HA LEU A 633 0.737 5.182 -6.583 1.00 1.04 H new ATOM 0 HB2 LEU A 633 2.236 4.796 -4.328 1.00 1.38 H new ATOM 0 HB3 LEU A 633 2.585 3.313 -5.193 1.00 1.38 H new ATOM 0 HG LEU A 633 2.900 6.092 -6.312 1.00 1.91 H new ATOM 0 HD11 LEU A 633 5.391 5.594 -6.056 1.00 2.33 H new ATOM 0 HD12 LEU A 633 4.552 5.561 -4.487 1.00 2.33 H new ATOM 0 HD13 LEU A 633 4.967 4.037 -5.307 1.00 2.33 H new ATOM 0 HD21 LEU A 633 4.294 5.059 -8.084 1.00 2.30 H new ATOM 0 HD22 LEU A 633 3.900 3.450 -7.434 1.00 2.30 H new ATOM 0 HD23 LEU A 633 2.614 4.473 -8.116 1.00 2.30 H new ATOM 1605 N SER A 634 0.509 3.116 -7.979 1.00 1.18 N ATOM 1606 CA SER A 634 0.409 1.929 -8.829 1.00 1.21 C ATOM 1607 C SER A 634 1.593 0.987 -8.650 1.00 1.24 C ATOM 1608 O SER A 634 2.754 1.404 -8.613 1.00 1.18 O ATOM 1609 CB SER A 634 0.204 2.310 -10.292 1.00 1.28 C ATOM 1610 OG SER A 634 1.065 3.350 -10.705 1.00 2.03 O ATOM 0 H SER A 634 0.557 3.994 -8.496 1.00 1.18 H new ATOM 0 HA SER A 634 -0.475 1.379 -8.505 1.00 1.21 H new ATOM 0 HB2 SER A 634 0.370 1.434 -10.919 1.00 1.28 H new ATOM 0 HB3 SER A 634 -0.831 2.618 -10.443 1.00 1.28 H new ATOM 0 HG SER A 634 1.683 3.012 -11.386 1.00 2.03 H new ATOM 1616 N VAL A 635 1.294 -0.312 -8.548 1.00 1.43 N ATOM 1617 CA VAL A 635 2.298 -1.340 -8.249 1.00 1.67 C ATOM 1618 C VAL A 635 3.425 -1.315 -9.277 1.00 1.57 C ATOM 1619 O VAL A 635 4.604 -1.420 -8.949 1.00 1.77 O ATOM 1620 CB VAL A 635 1.636 -2.717 -8.088 1.00 1.98 C ATOM 1621 CG1 VAL A 635 1.426 -3.477 -9.377 1.00 1.81 C ATOM 1622 CG2 VAL A 635 2.607 -3.627 -7.391 1.00 2.59 C ATOM 0 H VAL A 635 0.351 -0.681 -8.670 1.00 1.43 H new ATOM 0 HA VAL A 635 2.765 -1.117 -7.290 1.00 1.67 H new ATOM 0 HB VAL A 635 0.690 -2.503 -7.590 1.00 1.98 H new ATOM 0 HG11 VAL A 635 0.954 -4.435 -9.161 1.00 1.81 H new ATOM 0 HG12 VAL A 635 0.785 -2.897 -10.041 1.00 1.81 H new ATOM 0 HG13 VAL A 635 2.388 -3.647 -9.860 1.00 1.81 H new ATOM 0 HG21 VAL A 635 2.157 -4.612 -7.266 1.00 2.59 H new ATOM 0 HG22 VAL A 635 3.515 -3.716 -7.988 1.00 2.59 H new ATOM 0 HG23 VAL A 635 2.855 -3.214 -6.413 1.00 2.59 H new ATOM 1632 N ASP A 636 3.083 -1.097 -10.541 1.00 1.38 N ATOM 1633 CA ASP A 636 4.068 -1.214 -11.603 1.00 1.60 C ATOM 1634 C ASP A 636 5.134 -0.093 -11.547 1.00 1.49 C ATOM 1635 O ASP A 636 6.273 -0.278 -11.977 1.00 1.71 O ATOM 1636 CB ASP A 636 3.376 -1.152 -12.972 1.00 1.75 C ATOM 1637 CG ASP A 636 2.152 -2.052 -13.081 1.00 2.05 C ATOM 1638 OD1 ASP A 636 1.035 -1.578 -12.759 1.00 2.27 O ATOM 1639 OD2 ASP A 636 2.312 -3.230 -13.480 1.00 2.83 O ATOM 0 H ASP A 636 2.145 -0.842 -10.850 1.00 1.38 H new ATOM 0 HA ASP A 636 4.567 -2.173 -11.461 1.00 1.60 H new ATOM 0 HB2 ASP A 636 3.078 -0.123 -13.172 1.00 1.75 H new ATOM 0 HB3 ASP A 636 4.092 -1.433 -13.744 1.00 1.75 H new ATOM 1644 N ASN A 637 4.779 1.070 -10.986 1.00 1.24 N ATOM 1645 CA ASN A 637 5.672 2.213 -10.796 1.00 1.16 C ATOM 1646 C ASN A 637 6.573 2.096 -9.553 1.00 1.10 C ATOM 1647 O ASN A 637 7.614 2.744 -9.494 1.00 1.22 O ATOM 1648 CB ASN A 637 4.839 3.500 -10.816 1.00 1.28 C ATOM 1649 CG ASN A 637 4.374 3.814 -12.222 1.00 1.80 C ATOM 1650 OD1 ASN A 637 3.195 3.794 -12.530 1.00 2.81 O ATOM 1651 ND2 ASN A 637 5.260 4.131 -13.123 1.00 1.64 N ATOM 0 H ASN A 637 3.834 1.244 -10.643 1.00 1.24 H new ATOM 0 HA ASN A 637 6.381 2.235 -11.624 1.00 1.16 H new ATOM 0 HB2 ASN A 637 3.977 3.391 -10.158 1.00 1.28 H new ATOM 0 HB3 ASN A 637 5.432 4.329 -10.430 1.00 1.28 H new ATOM 0 HD21 ASN A 637 4.963 4.358 -14.072 1.00 1.64 H new ATOM 0 HD22 ASN A 637 6.250 4.152 -12.879 1.00 1.64 H new ATOM 1658 N PHE A 638 6.227 1.229 -8.600 1.00 1.07 N ATOM 1659 CA PHE A 638 7.115 0.703 -7.557 1.00 1.13 C ATOM 1660 C PHE A 638 8.072 -0.345 -8.179 1.00 1.32 C ATOM 1661 O PHE A 638 9.279 -0.291 -7.938 1.00 1.33 O ATOM 1662 CB PHE A 638 6.209 0.202 -6.421 1.00 1.36 C ATOM 1663 CG PHE A 638 6.815 -0.288 -5.109 1.00 1.55 C ATOM 1664 CD1 PHE A 638 7.922 -1.162 -5.052 1.00 1.66 C ATOM 1665 CD2 PHE A 638 6.174 0.070 -3.905 1.00 2.80 C ATOM 1666 CE1 PHE A 638 8.400 -1.633 -3.816 1.00 1.84 C ATOM 1667 CE2 PHE A 638 6.647 -0.405 -2.670 1.00 3.01 C ATOM 1668 CZ PHE A 638 7.769 -1.248 -2.622 1.00 2.06 C ATOM 0 H PHE A 638 5.280 0.857 -8.529 1.00 1.07 H new ATOM 0 HA PHE A 638 7.783 1.448 -7.125 1.00 1.13 H new ATOM 0 HB2 PHE A 638 5.522 1.012 -6.176 1.00 1.36 H new ATOM 0 HB3 PHE A 638 5.609 -0.614 -6.823 1.00 1.36 H new ATOM 0 HD1 PHE A 638 8.406 -1.472 -5.966 1.00 1.66 H new ATOM 0 HD2 PHE A 638 5.310 0.717 -3.932 1.00 2.80 H new ATOM 0 HE1 PHE A 638 9.255 -2.293 -3.785 1.00 1.84 H new ATOM 0 HE2 PHE A 638 6.147 -0.121 -1.756 1.00 3.01 H new ATOM 0 HZ PHE A 638 8.145 -1.598 -1.672 1.00 2.06 H new ATOM 1678 N ASN A 639 7.590 -1.223 -9.076 1.00 1.46 N ATOM 1679 CA ASN A 639 8.457 -2.107 -9.885 1.00 1.57 C ATOM 1680 C ASN A 639 9.444 -1.328 -10.786 1.00 1.55 C ATOM 1681 O ASN A 639 10.521 -1.842 -11.078 1.00 1.69 O ATOM 1682 CB ASN A 639 7.612 -3.067 -10.754 1.00 1.57 C ATOM 1683 CG ASN A 639 7.162 -4.342 -10.067 1.00 1.79 C ATOM 1684 OD1 ASN A 639 7.951 -5.089 -9.505 1.00 2.24 O ATOM 1685 ND2 ASN A 639 5.890 -4.667 -10.155 1.00 1.76 N ATOM 0 H ASN A 639 6.594 -1.342 -9.262 1.00 1.46 H new ATOM 0 HA ASN A 639 9.048 -2.681 -9.171 1.00 1.57 H new ATOM 0 HB2 ASN A 639 6.729 -2.532 -11.103 1.00 1.57 H new ATOM 0 HB3 ASN A 639 8.192 -3.336 -11.637 1.00 1.57 H new ATOM 0 HD21 ASN A 639 5.559 -5.544 -9.754 1.00 1.76 H new ATOM 0 HD22 ASN A 639 5.235 -4.042 -10.624 1.00 1.76 H new ATOM 1692 N GLU A 640 9.116 -0.106 -11.223 1.00 1.41 N ATOM 1693 CA GLU A 640 10.015 0.765 -12.002 1.00 1.42 C ATOM 1694 C GLU A 640 11.197 1.276 -11.172 1.00 1.45 C ATOM 1695 O GLU A 640 12.340 1.209 -11.622 1.00 1.69 O ATOM 1696 CB GLU A 640 9.236 1.977 -12.543 1.00 1.28 C ATOM 1697 CG GLU A 640 8.580 1.778 -13.923 1.00 1.94 C ATOM 1698 CD GLU A 640 9.535 1.929 -15.120 1.00 2.32 C ATOM 1699 OE1 GLU A 640 10.524 1.164 -15.235 1.00 3.51 O ATOM 1700 OE2 GLU A 640 9.279 2.782 -16.006 1.00 2.71 O ATOM 0 H GLU A 640 8.204 0.315 -11.044 1.00 1.41 H new ATOM 0 HA GLU A 640 10.407 0.161 -12.820 1.00 1.42 H new ATOM 0 HB2 GLU A 640 8.459 2.238 -11.824 1.00 1.28 H new ATOM 0 HB3 GLU A 640 9.915 2.827 -12.602 1.00 1.28 H new ATOM 0 HG2 GLU A 640 8.132 0.785 -13.957 1.00 1.94 H new ATOM 0 HG3 GLU A 640 7.768 2.498 -14.031 1.00 1.94 H new ATOM 1707 N VAL A 641 10.926 1.780 -9.967 1.00 1.28 N ATOM 1708 CA VAL A 641 11.939 2.353 -9.064 1.00 1.27 C ATOM 1709 C VAL A 641 12.798 1.288 -8.395 1.00 1.43 C ATOM 1710 O VAL A 641 13.972 1.537 -8.143 1.00 1.49 O ATOM 1711 CB VAL A 641 11.285 3.317 -8.060 1.00 1.09 C ATOM 1712 CG1 VAL A 641 10.125 2.712 -7.283 1.00 1.09 C ATOM 1713 CG2 VAL A 641 12.252 3.915 -7.037 1.00 1.08 C ATOM 0 H VAL A 641 9.983 1.804 -9.580 1.00 1.28 H new ATOM 0 HA VAL A 641 12.633 2.936 -9.670 1.00 1.27 H new ATOM 0 HB VAL A 641 10.917 4.106 -8.716 1.00 1.09 H new ATOM 0 HG11 VAL A 641 9.719 3.456 -6.597 1.00 1.09 H new ATOM 0 HG12 VAL A 641 9.347 2.397 -7.978 1.00 1.09 H new ATOM 0 HG13 VAL A 641 10.477 1.850 -6.717 1.00 1.09 H new ATOM 0 HG21 VAL A 641 11.708 4.582 -6.369 1.00 1.08 H new ATOM 0 HG22 VAL A 641 12.709 3.114 -6.456 1.00 1.08 H new ATOM 0 HG23 VAL A 641 13.029 4.476 -7.556 1.00 1.08 H new ATOM 1723 N LEU A 642 12.277 0.076 -8.191 1.00 1.52 N ATOM 1724 CA LEU A 642 13.093 -1.066 -7.741 1.00 1.68 C ATOM 1725 C LEU A 642 14.344 -1.290 -8.615 1.00 1.80 C ATOM 1726 O LEU A 642 15.415 -1.596 -8.097 1.00 1.85 O ATOM 1727 CB LEU A 642 12.256 -2.361 -7.732 1.00 1.76 C ATOM 1728 CG LEU A 642 11.542 -2.679 -6.408 1.00 2.06 C ATOM 1729 CD1 LEU A 642 10.834 -4.031 -6.532 1.00 2.26 C ATOM 1730 CD2 LEU A 642 12.524 -2.800 -5.242 1.00 2.61 C ATOM 0 H LEU A 642 11.291 -0.145 -8.329 1.00 1.52 H new ATOM 0 HA LEU A 642 13.425 -0.821 -6.732 1.00 1.68 H new ATOM 0 HB2 LEU A 642 11.507 -2.294 -8.521 1.00 1.76 H new ATOM 0 HB3 LEU A 642 12.909 -3.197 -7.982 1.00 1.76 H new ATOM 0 HG LEU A 642 10.846 -1.863 -6.214 1.00 2.06 H new ATOM 0 HD11 LEU A 642 10.326 -4.263 -5.596 1.00 2.26 H new ATOM 0 HD12 LEU A 642 10.104 -3.987 -7.340 1.00 2.26 H new ATOM 0 HD13 LEU A 642 11.568 -4.808 -6.748 1.00 2.26 H new ATOM 0 HD21 LEU A 642 11.976 -3.025 -4.327 1.00 2.61 H new ATOM 0 HD22 LEU A 642 13.234 -3.601 -5.446 1.00 2.61 H new ATOM 0 HD23 LEU A 642 13.062 -1.860 -5.121 1.00 2.61 H new ATOM 1742 N GLU A 643 14.229 -1.107 -9.932 1.00 1.89 N ATOM 1743 CA GLU A 643 15.340 -1.300 -10.878 1.00 2.05 C ATOM 1744 C GLU A 643 16.484 -0.281 -10.724 1.00 1.97 C ATOM 1745 O GLU A 643 17.604 -0.573 -11.147 1.00 2.14 O ATOM 1746 CB GLU A 643 14.840 -1.280 -12.332 1.00 2.16 C ATOM 1747 CG GLU A 643 13.794 -2.329 -12.634 1.00 2.77 C ATOM 1748 CD GLU A 643 13.530 -2.563 -14.129 1.00 3.07 C ATOM 1749 OE1 GLU A 643 14.492 -2.629 -14.936 1.00 2.95 O ATOM 1750 OE2 GLU A 643 12.353 -2.815 -14.488 1.00 4.32 O ATOM 0 H GLU A 643 13.359 -0.819 -10.379 1.00 1.89 H new ATOM 0 HA GLU A 643 15.750 -2.280 -10.631 1.00 2.05 H new ATOM 0 HB2 GLU A 643 14.427 -0.295 -12.550 1.00 2.16 H new ATOM 0 HB3 GLU A 643 15.689 -1.425 -13.000 1.00 2.16 H new ATOM 0 HG2 GLU A 643 14.104 -3.271 -12.182 1.00 2.77 H new ATOM 0 HG3 GLU A 643 12.859 -2.038 -12.155 1.00 2.77 H new ATOM 1757 N GLU A 644 16.249 0.882 -10.106 1.00 1.77 N ATOM 1758 CA GLU A 644 17.292 1.865 -9.766 1.00 1.77 C ATOM 1759 C GLU A 644 18.156 1.440 -8.560 1.00 1.82 C ATOM 1760 O GLU A 644 19.242 1.990 -8.336 1.00 1.89 O ATOM 1761 CB GLU A 644 16.616 3.193 -9.439 1.00 1.63 C ATOM 1762 CG GLU A 644 15.940 3.842 -10.647 1.00 1.60 C ATOM 1763 CD GLU A 644 16.814 4.919 -11.301 1.00 1.73 C ATOM 1764 OE1 GLU A 644 17.102 5.959 -10.657 1.00 2.32 O ATOM 1765 OE2 GLU A 644 17.221 4.741 -12.478 1.00 2.28 O ATOM 0 H GLU A 644 15.314 1.174 -9.822 1.00 1.77 H new ATOM 0 HA GLU A 644 17.957 1.946 -10.626 1.00 1.77 H new ATOM 0 HB2 GLU A 644 15.872 3.032 -8.659 1.00 1.63 H new ATOM 0 HB3 GLU A 644 17.359 3.881 -9.034 1.00 1.63 H new ATOM 0 HG2 GLU A 644 15.704 3.074 -11.383 1.00 1.60 H new ATOM 0 HG3 GLU A 644 14.995 4.286 -10.335 1.00 1.60 H new ATOM 1772 N TYR A 645 17.657 0.481 -7.775 1.00 1.81 N ATOM 1773 CA TYR A 645 18.233 -0.007 -6.519 1.00 1.86 C ATOM 1774 C TYR A 645 18.271 -1.553 -6.502 1.00 2.03 C ATOM 1775 O TYR A 645 17.536 -2.189 -5.739 1.00 2.04 O ATOM 1776 CB TYR A 645 17.481 0.622 -5.330 1.00 1.67 C ATOM 1777 CG TYR A 645 17.408 2.141 -5.398 1.00 1.49 C ATOM 1778 CD1 TYR A 645 18.456 2.947 -4.909 1.00 2.05 C ATOM 1779 CD2 TYR A 645 16.303 2.748 -6.019 1.00 2.51 C ATOM 1780 CE1 TYR A 645 18.407 4.346 -5.083 1.00 2.01 C ATOM 1781 CE2 TYR A 645 16.255 4.140 -6.206 1.00 2.45 C ATOM 1782 CZ TYR A 645 17.318 4.945 -5.759 1.00 1.31 C ATOM 1783 OH TYR A 645 17.305 6.275 -6.041 1.00 1.35 O ATOM 0 H TYR A 645 16.791 -0.003 -8.013 1.00 1.81 H new ATOM 0 HA TYR A 645 19.273 0.307 -6.428 1.00 1.86 H new ATOM 0 HB2 TYR A 645 16.469 0.218 -5.294 1.00 1.67 H new ATOM 0 HB3 TYR A 645 17.974 0.330 -4.402 1.00 1.67 H new ATOM 0 HD1 TYR A 645 19.295 2.494 -4.402 1.00 2.05 H new ATOM 0 HD2 TYR A 645 15.480 2.136 -6.357 1.00 2.51 H new ATOM 0 HE1 TYR A 645 19.205 4.963 -4.698 1.00 2.01 H new ATOM 0 HE2 TYR A 645 15.403 4.591 -6.692 1.00 2.45 H new ATOM 0 HH TYR A 645 16.541 6.479 -6.619 1.00 1.35 H new ATOM 1793 N PRO A 646 19.108 -2.189 -7.353 1.00 2.17 N ATOM 1794 CA PRO A 646 19.137 -3.642 -7.566 1.00 2.33 C ATOM 1795 C PRO A 646 19.335 -4.494 -6.301 1.00 2.36 C ATOM 1796 O PRO A 646 18.883 -5.643 -6.289 1.00 2.49 O ATOM 1797 CB PRO A 646 20.256 -3.890 -8.589 1.00 2.48 C ATOM 1798 CG PRO A 646 21.122 -2.635 -8.503 1.00 2.43 C ATOM 1799 CD PRO A 646 20.085 -1.557 -8.227 1.00 2.22 C ATOM 0 HA PRO A 646 18.157 -3.963 -7.919 1.00 2.33 H new ATOM 0 HB2 PRO A 646 20.827 -4.786 -8.346 1.00 2.48 H new ATOM 0 HB3 PRO A 646 19.855 -4.030 -9.593 1.00 2.48 H new ATOM 0 HG2 PRO A 646 21.862 -2.703 -7.706 1.00 2.43 H new ATOM 0 HG3 PRO A 646 21.667 -2.450 -9.429 1.00 2.43 H new ATOM 0 HD2 PRO A 646 20.537 -0.687 -7.750 1.00 2.22 H new ATOM 0 HD3 PRO A 646 19.622 -1.209 -9.150 1.00 2.22 H new ATOM 1807 N MET A 647 19.921 -3.958 -5.222 1.00 2.26 N ATOM 1808 CA MET A 647 19.955 -4.623 -3.912 1.00 2.29 C ATOM 1809 C MET A 647 18.534 -4.894 -3.388 1.00 2.24 C ATOM 1810 O MET A 647 18.210 -6.010 -2.983 1.00 2.31 O ATOM 1811 CB MET A 647 20.725 -3.724 -2.933 1.00 2.24 C ATOM 1812 CG MET A 647 20.749 -4.280 -1.503 1.00 2.84 C ATOM 1813 SD MET A 647 21.234 -3.067 -0.252 1.00 2.78 S ATOM 1814 CE MET A 647 19.653 -2.189 -0.114 1.00 2.46 C ATOM 0 H MET A 647 20.385 -3.050 -5.233 1.00 2.26 H new ATOM 0 HA MET A 647 20.454 -5.587 -4.009 1.00 2.29 H new ATOM 0 HB2 MET A 647 21.749 -3.603 -3.287 1.00 2.24 H new ATOM 0 HB3 MET A 647 20.271 -2.733 -2.924 1.00 2.24 H new ATOM 0 HG2 MET A 647 19.759 -4.665 -1.257 1.00 2.84 H new ATOM 0 HG3 MET A 647 21.438 -5.124 -1.463 1.00 2.84 H new ATOM 0 HE1 MET A 647 19.775 -1.163 -0.460 1.00 2.46 H new ATOM 0 HE2 MET A 647 18.903 -2.691 -0.726 1.00 2.46 H new ATOM 0 HE3 MET A 647 19.329 -2.185 0.927 1.00 2.46 H new ATOM 1824 N MET A 648 17.663 -3.883 -3.436 1.00 2.15 N ATOM 1825 CA MET A 648 16.262 -4.014 -3.037 1.00 2.09 C ATOM 1826 C MET A 648 15.477 -4.882 -4.032 1.00 2.05 C ATOM 1827 O MET A 648 14.567 -5.603 -3.629 1.00 2.07 O ATOM 1828 CB MET A 648 15.617 -2.625 -2.915 1.00 2.01 C ATOM 1829 CG MET A 648 16.175 -1.735 -1.798 1.00 1.81 C ATOM 1830 SD MET A 648 16.102 -2.371 -0.095 1.00 1.98 S ATOM 1831 CE MET A 648 14.390 -2.961 0.035 1.00 2.51 C ATOM 0 H MET A 648 17.912 -2.947 -3.754 1.00 2.15 H new ATOM 0 HA MET A 648 16.231 -4.509 -2.066 1.00 2.09 H new ATOM 0 HB2 MET A 648 15.736 -2.104 -3.865 1.00 2.01 H new ATOM 0 HB3 MET A 648 14.547 -2.753 -2.753 1.00 2.01 H new ATOM 0 HG2 MET A 648 17.218 -1.518 -2.031 1.00 1.81 H new ATOM 0 HG3 MET A 648 15.639 -0.786 -1.825 1.00 1.81 H new ATOM 0 HE1 MET A 648 14.206 -3.324 1.046 1.00 2.51 H new ATOM 0 HE2 MET A 648 13.705 -2.143 -0.187 1.00 2.51 H new ATOM 0 HE3 MET A 648 14.230 -3.772 -0.676 1.00 2.51 H new ATOM 1841 N ARG A 649 15.840 -4.878 -5.325 1.00 2.05 N ATOM 1842 CA ARG A 649 15.154 -5.690 -6.348 1.00 2.09 C ATOM 1843 C ARG A 649 15.245 -7.189 -6.056 1.00 2.24 C ATOM 1844 O ARG A 649 14.212 -7.859 -6.080 1.00 2.26 O ATOM 1845 CB ARG A 649 15.654 -5.310 -7.753 1.00 2.11 C ATOM 1846 CG ARG A 649 14.672 -5.711 -8.868 1.00 2.44 C ATOM 1847 CD ARG A 649 14.899 -7.112 -9.468 1.00 2.28 C ATOM 1848 NE ARG A 649 16.050 -7.141 -10.389 1.00 2.28 N ATOM 1849 CZ ARG A 649 16.090 -6.615 -11.602 1.00 2.83 C ATOM 1850 NH1 ARG A 649 15.060 -6.068 -12.178 1.00 3.67 N ATOM 1851 NH2 ARG A 649 17.192 -6.591 -12.282 1.00 3.88 N ATOM 0 H ARG A 649 16.610 -4.318 -5.690 1.00 2.05 H new ATOM 0 HA ARG A 649 14.089 -5.461 -6.312 1.00 2.09 H new ATOM 0 HB2 ARG A 649 15.823 -4.234 -7.794 1.00 2.11 H new ATOM 0 HB3 ARG A 649 16.616 -5.790 -7.933 1.00 2.11 H new ATOM 0 HG2 ARG A 649 13.658 -5.663 -8.472 1.00 2.44 H new ATOM 0 HG3 ARG A 649 14.737 -4.975 -9.669 1.00 2.44 H new ATOM 0 HD2 ARG A 649 15.061 -7.829 -8.663 1.00 2.28 H new ATOM 0 HD3 ARG A 649 14.002 -7.428 -10.000 1.00 2.28 H new ATOM 0 HE ARG A 649 16.894 -7.610 -10.060 1.00 2.28 H new ATOM 0 HH11 ARG A 649 14.164 -6.030 -11.692 1.00 3.67 H new ATOM 0 HH12 ARG A 649 15.148 -5.677 -13.116 1.00 3.67 H new ATOM 0 HH21 ARG A 649 18.046 -6.981 -11.883 1.00 3.88 H new ATOM 0 HH22 ARG A 649 17.206 -6.182 -13.216 1.00 3.88 H new ATOM 1865 N ARG A 650 16.428 -7.706 -5.697 1.00 2.40 N ATOM 1866 CA ARG A 650 16.599 -9.121 -5.284 1.00 2.62 C ATOM 1867 C ARG A 650 15.903 -9.459 -3.963 1.00 2.67 C ATOM 1868 O ARG A 650 15.303 -10.524 -3.852 1.00 2.81 O ATOM 1869 CB ARG A 650 18.072 -9.561 -5.247 1.00 2.84 C ATOM 1870 CG ARG A 650 18.977 -8.760 -4.303 1.00 2.76 C ATOM 1871 CD ARG A 650 20.327 -9.456 -4.119 1.00 2.59 C ATOM 1872 NE ARG A 650 21.214 -8.657 -3.260 1.00 3.03 N ATOM 1873 CZ ARG A 650 21.216 -8.604 -1.940 1.00 4.26 C ATOM 1874 NH1 ARG A 650 20.445 -9.324 -1.177 1.00 5.11 N ATOM 1875 NH2 ARG A 650 22.014 -7.802 -1.306 1.00 5.30 N ATOM 0 H ARG A 650 17.293 -7.166 -5.682 1.00 2.40 H new ATOM 0 HA ARG A 650 16.101 -9.695 -6.066 1.00 2.62 H new ATOM 0 HB2 ARG A 650 18.112 -10.611 -4.957 1.00 2.84 H new ATOM 0 HB3 ARG A 650 18.479 -9.494 -6.256 1.00 2.84 H new ATOM 0 HG2 ARG A 650 19.132 -7.758 -4.704 1.00 2.76 H new ATOM 0 HG3 ARG A 650 18.488 -8.644 -3.336 1.00 2.76 H new ATOM 0 HD2 ARG A 650 20.176 -10.441 -3.677 1.00 2.59 H new ATOM 0 HD3 ARG A 650 20.797 -9.611 -5.090 1.00 2.59 H new ATOM 0 HE ARG A 650 21.906 -8.079 -3.737 1.00 3.03 H new ATOM 0 HH11 ARG A 650 19.785 -9.981 -1.593 1.00 5.11 H new ATOM 0 HH12 ARG A 650 20.501 -9.231 -0.163 1.00 5.11 H new ATOM 0 HH21 ARG A 650 22.652 -7.200 -1.827 1.00 5.30 H new ATOM 0 HH22 ARG A 650 22.003 -7.773 -0.286 1.00 5.30 H new ATOM 1889 N ALA A 651 15.896 -8.527 -3.010 1.00 2.59 N ATOM 1890 CA ALA A 651 15.155 -8.638 -1.751 1.00 2.66 C ATOM 1891 C ALA A 651 13.633 -8.833 -1.951 1.00 2.58 C ATOM 1892 O ALA A 651 12.962 -9.352 -1.055 1.00 2.75 O ATOM 1893 CB ALA A 651 15.447 -7.396 -0.896 1.00 2.58 C ATOM 0 H ALA A 651 16.417 -7.654 -3.093 1.00 2.59 H new ATOM 0 HA ALA A 651 15.496 -9.538 -1.239 1.00 2.66 H new ATOM 0 HB1 ALA A 651 14.901 -7.466 0.045 1.00 2.58 H new ATOM 0 HB2 ALA A 651 16.516 -7.338 -0.692 1.00 2.58 H new ATOM 0 HB3 ALA A 651 15.131 -6.502 -1.433 1.00 2.58 H new ATOM 1899 N PHE A 652 13.107 -8.473 -3.130 1.00 2.35 N ATOM 1900 CA PHE A 652 11.749 -8.784 -3.589 1.00 2.31 C ATOM 1901 C PHE A 652 11.633 -10.116 -4.367 1.00 2.50 C ATOM 1902 O PHE A 652 10.651 -10.834 -4.193 1.00 2.68 O ATOM 1903 CB PHE A 652 11.213 -7.591 -4.390 1.00 2.00 C ATOM 1904 CG PHE A 652 10.464 -6.591 -3.534 1.00 2.03 C ATOM 1905 CD1 PHE A 652 9.114 -6.818 -3.207 1.00 3.54 C ATOM 1906 CD2 PHE A 652 11.120 -5.453 -3.037 1.00 1.70 C ATOM 1907 CE1 PHE A 652 8.426 -5.904 -2.387 1.00 3.63 C ATOM 1908 CE2 PHE A 652 10.430 -4.532 -2.229 1.00 1.73 C ATOM 1909 CZ PHE A 652 9.081 -4.756 -1.905 1.00 2.20 C ATOM 0 H PHE A 652 13.638 -7.936 -3.816 1.00 2.35 H new ATOM 0 HA PHE A 652 11.128 -8.943 -2.707 1.00 2.31 H new ATOM 0 HB2 PHE A 652 12.045 -7.088 -4.882 1.00 2.00 H new ATOM 0 HB3 PHE A 652 10.551 -7.956 -5.176 1.00 2.00 H new ATOM 0 HD1 PHE A 652 8.606 -7.693 -3.585 1.00 3.54 H new ATOM 0 HD2 PHE A 652 12.160 -5.284 -3.277 1.00 1.70 H new ATOM 0 HE1 PHE A 652 7.393 -6.084 -2.127 1.00 3.63 H new ATOM 0 HE2 PHE A 652 10.936 -3.653 -1.858 1.00 1.73 H new ATOM 0 HZ PHE A 652 8.548 -4.048 -1.287 1.00 2.20 H new ATOM 1919 N GLU A 653 12.637 -10.514 -5.159 1.00 2.52 N ATOM 1920 CA GLU A 653 12.654 -11.802 -5.897 1.00 2.71 C ATOM 1921 C GLU A 653 12.700 -13.043 -4.975 1.00 3.08 C ATOM 1922 O GLU A 653 12.483 -14.166 -5.438 1.00 3.04 O ATOM 1923 CB GLU A 653 13.866 -11.876 -6.849 1.00 2.72 C ATOM 1924 CG GLU A 653 13.978 -10.768 -7.906 1.00 2.45 C ATOM 1925 CD GLU A 653 13.040 -10.890 -9.114 1.00 2.89 C ATOM 1926 OE1 GLU A 653 12.738 -12.012 -9.596 1.00 3.69 O ATOM 1927 OE2 GLU A 653 12.651 -9.820 -9.645 1.00 3.35 O ATOM 0 H GLU A 653 13.473 -9.951 -5.313 1.00 2.52 H new ATOM 0 HA GLU A 653 11.716 -11.822 -6.453 1.00 2.71 H new ATOM 0 HB2 GLU A 653 14.774 -11.865 -6.246 1.00 2.72 H new ATOM 0 HB3 GLU A 653 13.837 -12.836 -7.364 1.00 2.72 H new ATOM 0 HG2 GLU A 653 13.789 -9.810 -7.421 1.00 2.45 H new ATOM 0 HG3 GLU A 653 15.005 -10.744 -8.270 1.00 2.45 H new ATOM 1934 N THR A 654 13.003 -12.870 -3.683 1.00 3.47 N ATOM 1935 CA THR A 654 13.003 -13.944 -2.669 1.00 4.00 C ATOM 1936 C THR A 654 11.643 -14.109 -1.974 1.00 4.18 C ATOM 1937 O THR A 654 11.064 -15.190 -1.999 1.00 4.76 O ATOM 1938 CB THR A 654 14.182 -13.790 -1.697 1.00 4.17 C ATOM 1939 OG1 THR A 654 14.184 -14.840 -0.753 1.00 4.88 O ATOM 1940 CG2 THR A 654 14.202 -12.449 -0.964 1.00 3.67 C ATOM 0 H THR A 654 13.262 -11.961 -3.300 1.00 3.47 H new ATOM 0 HA THR A 654 13.157 -14.888 -3.192 1.00 4.00 H new ATOM 0 HB THR A 654 15.081 -13.830 -2.312 1.00 4.17 H new ATOM 0 HG1 THR A 654 14.942 -14.729 -0.142 1.00 4.88 H new ATOM 0 HG21 THR A 654 15.062 -12.413 -0.295 1.00 3.67 H new ATOM 0 HG22 THR A 654 14.272 -11.639 -1.690 1.00 3.67 H new ATOM 0 HG23 THR A 654 13.286 -12.338 -0.383 1.00 3.67 H new ATOM 1948 N VAL A 655 11.059 -13.026 -1.448 1.00 3.82 N ATOM 1949 CA VAL A 655 9.718 -12.974 -0.813 1.00 4.00 C ATOM 1950 C VAL A 655 8.594 -13.339 -1.787 1.00 4.03 C ATOM 1951 O VAL A 655 7.573 -13.908 -1.393 1.00 4.47 O ATOM 1952 CB VAL A 655 9.509 -11.584 -0.182 1.00 3.79 C ATOM 1953 CG1 VAL A 655 9.700 -10.446 -1.174 1.00 3.24 C ATOM 1954 CG2 VAL A 655 8.191 -11.395 0.570 1.00 4.11 C ATOM 0 H VAL A 655 11.521 -12.117 -1.449 1.00 3.82 H new ATOM 0 HA VAL A 655 9.678 -13.729 -0.028 1.00 4.00 H new ATOM 0 HB VAL A 655 10.299 -11.544 0.568 1.00 3.79 H new ATOM 0 HG11 VAL A 655 9.540 -9.493 -0.670 1.00 3.24 H new ATOM 0 HG12 VAL A 655 10.713 -10.479 -1.574 1.00 3.24 H new ATOM 0 HG13 VAL A 655 8.984 -10.550 -1.989 1.00 3.24 H new ATOM 0 HG21 VAL A 655 8.145 -10.384 0.974 1.00 4.11 H new ATOM 0 HG22 VAL A 655 7.356 -11.551 -0.114 1.00 4.11 H new ATOM 0 HG23 VAL A 655 8.131 -12.115 1.386 1.00 4.11 H new ATOM 1964 N ALA A 656 8.841 -13.121 -3.078 1.00 3.63 N ATOM 1965 CA ALA A 656 8.051 -13.639 -4.198 1.00 3.53 C ATOM 1966 C ALA A 656 7.819 -15.175 -4.177 1.00 3.95 C ATOM 1967 O ALA A 656 6.905 -15.646 -4.854 1.00 4.04 O ATOM 1968 CB ALA A 656 8.707 -13.166 -5.499 1.00 3.08 C ATOM 0 H ALA A 656 9.631 -12.554 -3.387 1.00 3.63 H new ATOM 0 HA ALA A 656 7.042 -13.236 -4.110 1.00 3.53 H new ATOM 0 HB1 ALA A 656 8.137 -13.539 -6.350 1.00 3.08 H new ATOM 0 HB2 ALA A 656 8.724 -12.076 -5.523 1.00 3.08 H new ATOM 0 HB3 ALA A 656 9.727 -13.546 -5.551 1.00 3.08 H new ATOM 1974 N ILE A 657 8.526 -15.946 -3.334 1.00 4.42 N ATOM 1975 CA ILE A 657 8.124 -17.315 -2.948 1.00 5.16 C ATOM 1976 C ILE A 657 8.334 -17.651 -1.455 1.00 5.03 C ATOM 1977 O ILE A 657 7.591 -18.458 -0.899 1.00 5.80 O ATOM 1978 CB ILE A 657 8.794 -18.340 -3.893 1.00 5.66 C ATOM 1979 CG1 ILE A 657 8.051 -19.692 -3.844 1.00 7.03 C ATOM 1980 CG2 ILE A 657 10.302 -18.498 -3.616 1.00 5.30 C ATOM 1981 CD1 ILE A 657 8.379 -20.604 -5.031 1.00 7.43 C ATOM 0 H ILE A 657 9.396 -15.639 -2.898 1.00 4.42 H new ATOM 0 HA ILE A 657 7.042 -17.374 -3.069 1.00 5.16 H new ATOM 0 HB ILE A 657 8.715 -17.950 -4.908 1.00 5.66 H new ATOM 0 HG12 ILE A 657 8.306 -20.206 -2.917 1.00 7.03 H new ATOM 0 HG13 ILE A 657 6.977 -19.508 -3.821 1.00 7.03 H new ATOM 0 HG21 ILE A 657 10.724 -19.229 -4.306 1.00 5.30 H new ATOM 0 HG22 ILE A 657 10.800 -17.538 -3.754 1.00 5.30 H new ATOM 0 HG23 ILE A 657 10.450 -18.839 -2.591 1.00 5.30 H new ATOM 0 HD11 ILE A 657 7.825 -21.538 -4.936 1.00 7.43 H new ATOM 0 HD12 ILE A 657 8.098 -20.108 -5.960 1.00 7.43 H new ATOM 0 HD13 ILE A 657 9.448 -20.816 -5.042 1.00 7.43 H new ATOM 1993 N ASP A 658 9.293 -17.027 -0.764 1.00 4.20 N ATOM 1994 CA ASP A 658 9.680 -17.345 0.626 1.00 4.12 C ATOM 1995 C ASP A 658 8.603 -17.026 1.687 1.00 4.26 C ATOM 1996 O ASP A 658 8.653 -17.565 2.797 1.00 4.56 O ATOM 1997 CB ASP A 658 10.993 -16.602 0.936 1.00 3.83 C ATOM 1998 CG ASP A 658 11.497 -16.830 2.363 1.00 4.23 C ATOM 1999 OD1 ASP A 658 11.932 -17.962 2.679 1.00 4.23 O ATOM 2000 OD2 ASP A 658 11.470 -15.872 3.173 1.00 5.15 O ATOM 0 H ASP A 658 9.841 -16.264 -1.162 1.00 4.20 H new ATOM 0 HA ASP A 658 9.807 -18.426 0.689 1.00 4.12 H new ATOM 0 HB2 ASP A 658 11.760 -16.925 0.232 1.00 3.83 H new ATOM 0 HB3 ASP A 658 10.844 -15.534 0.777 1.00 3.83 H new ATOM 2005 N ARG A 659 7.615 -16.179 1.365 1.00 4.26 N ATOM 2006 CA ARG A 659 6.623 -15.636 2.292 1.00 4.46 C ATOM 2007 C ARG A 659 5.551 -16.604 2.809 1.00 5.21 C ATOM 2008 O ARG A 659 4.836 -16.234 3.740 1.00 5.57 O ATOM 2009 CB ARG A 659 6.004 -14.418 1.600 1.00 4.33 C ATOM 2010 CG ARG A 659 4.972 -14.738 0.508 1.00 4.49 C ATOM 2011 CD ARG A 659 4.548 -13.446 -0.206 1.00 4.56 C ATOM 2012 NE ARG A 659 3.601 -13.713 -1.307 1.00 5.23 N ATOM 2013 CZ ARG A 659 3.886 -14.256 -2.478 1.00 5.84 C ATOM 2014 NH1 ARG A 659 5.092 -14.607 -2.811 1.00 5.98 N ATOM 2015 NH2 ARG A 659 2.956 -14.460 -3.356 1.00 7.08 N ATOM 0 H ARG A 659 7.483 -15.842 0.411 1.00 4.26 H new ATOM 0 HA ARG A 659 7.146 -15.381 3.214 1.00 4.46 H new ATOM 0 HB2 ARG A 659 5.527 -13.794 2.356 1.00 4.33 H new ATOM 0 HB3 ARG A 659 6.805 -13.826 1.158 1.00 4.33 H new ATOM 0 HG2 ARG A 659 5.396 -15.439 -0.211 1.00 4.49 H new ATOM 0 HG3 ARG A 659 4.101 -15.222 0.949 1.00 4.49 H new ATOM 0 HD2 ARG A 659 4.088 -12.768 0.513 1.00 4.56 H new ATOM 0 HD3 ARG A 659 5.431 -12.942 -0.600 1.00 4.56 H new ATOM 0 HE ARG A 659 2.628 -13.452 -1.148 1.00 5.23 H new ATOM 0 HH11 ARG A 659 5.863 -14.467 -2.158 1.00 5.98 H new ATOM 0 HH12 ARG A 659 5.268 -15.023 -3.726 1.00 5.98 H new ATOM 0 HH21 ARG A 659 1.992 -14.201 -3.147 1.00 7.08 H new ATOM 0 HH22 ARG A 659 3.188 -14.880 -4.256 1.00 7.08 H new ATOM 2029 N LEU A 660 5.415 -17.802 2.230 1.00 5.66 N ATOM 2030 CA LEU A 660 4.222 -18.655 2.375 1.00 6.51 C ATOM 2031 C LEU A 660 3.816 -18.930 3.835 1.00 7.43 C ATOM 2032 O LEU A 660 2.665 -18.701 4.195 1.00 8.10 O ATOM 2033 CB LEU A 660 4.442 -19.964 1.591 1.00 7.05 C ATOM 2034 CG LEU A 660 3.253 -20.948 1.637 1.00 8.30 C ATOM 2035 CD1 LEU A 660 1.976 -20.361 1.029 1.00 8.68 C ATOM 2036 CD2 LEU A 660 3.607 -22.212 0.858 1.00 8.44 C ATOM 0 H LEU A 660 6.137 -18.215 1.640 1.00 5.66 H new ATOM 0 HA LEU A 660 3.379 -18.105 1.957 1.00 6.51 H new ATOM 0 HB2 LEU A 660 4.653 -19.718 0.550 1.00 7.05 H new ATOM 0 HB3 LEU A 660 5.326 -20.464 1.986 1.00 7.05 H new ATOM 0 HG LEU A 660 3.064 -21.164 2.689 1.00 8.30 H new ATOM 0 HD11 LEU A 660 1.173 -21.096 1.088 1.00 8.68 H new ATOM 0 HD12 LEU A 660 1.689 -19.465 1.580 1.00 8.68 H new ATOM 0 HD13 LEU A 660 2.155 -20.103 -0.015 1.00 8.68 H new ATOM 0 HD21 LEU A 660 2.768 -22.907 0.891 1.00 8.44 H new ATOM 0 HD22 LEU A 660 3.823 -21.952 -0.178 1.00 8.44 H new ATOM 0 HD23 LEU A 660 4.484 -22.681 1.305 1.00 8.44 H new ATOM 2048 N ASP A 661 4.749 -19.368 4.686 1.00 7.62 N ATOM 2049 CA ASP A 661 4.472 -19.654 6.105 1.00 8.70 C ATOM 2050 C ASP A 661 4.894 -18.535 7.075 1.00 9.73 C ATOM 2051 O ASP A 661 4.958 -18.729 8.291 1.00 10.70 O ATOM 2052 CB ASP A 661 5.157 -20.933 6.555 1.00 8.64 C ATOM 2053 CG ASP A 661 4.797 -22.175 5.736 1.00 8.31 C ATOM 2054 OD1 ASP A 661 3.653 -22.669 5.881 1.00 8.97 O ATOM 2055 OD2 ASP A 661 5.654 -22.679 4.969 1.00 7.89 O ATOM 0 H ASP A 661 5.718 -19.535 4.415 1.00 7.62 H new ATOM 0 HA ASP A 661 3.387 -19.748 6.149 1.00 8.70 H new ATOM 0 HB2 ASP A 661 6.236 -20.786 6.511 1.00 8.64 H new ATOM 0 HB3 ASP A 661 4.903 -21.117 7.599 1.00 8.64 H new ATOM 2060 N ARG A 662 5.246 -17.362 6.558 1.00 10.13 N ATOM 2061 CA ARG A 662 5.793 -16.231 7.333 1.00 11.71 C ATOM 2062 C ARG A 662 4.710 -15.352 7.990 1.00 13.05 C ATOM 2063 O ARG A 662 5.026 -14.280 8.510 1.00 14.35 O ATOM 2064 CB ARG A 662 6.756 -15.423 6.452 1.00 12.30 C ATOM 2065 CG ARG A 662 7.796 -16.234 5.663 1.00 11.72 C ATOM 2066 CD ARG A 662 8.731 -17.106 6.503 1.00 12.19 C ATOM 2067 NE ARG A 662 9.691 -17.790 5.620 1.00 11.89 N ATOM 2068 CZ ARG A 662 10.458 -18.819 5.922 1.00 12.02 C ATOM 2069 NH1 ARG A 662 10.460 -19.397 7.085 1.00 12.36 N ATOM 2070 NH2 ARG A 662 11.264 -19.313 5.036 1.00 12.18 N ATOM 0 H ARG A 662 5.160 -17.157 5.563 1.00 10.13 H new ATOM 0 HA ARG A 662 6.350 -16.644 8.174 1.00 11.71 H new ATOM 0 HB2 ARG A 662 6.166 -14.841 5.744 1.00 12.30 H new ATOM 0 HB3 ARG A 662 7.285 -14.712 7.086 1.00 12.30 H new ATOM 0 HG2 ARG A 662 7.270 -16.874 4.955 1.00 11.72 H new ATOM 0 HG3 ARG A 662 8.402 -15.542 5.078 1.00 11.72 H new ATOM 0 HD2 ARG A 662 9.263 -16.492 7.230 1.00 12.19 H new ATOM 0 HD3 ARG A 662 8.153 -17.839 7.067 1.00 12.19 H new ATOM 0 HE ARG A 662 9.771 -17.428 4.670 1.00 11.89 H new ATOM 0 HH11 ARG A 662 9.845 -19.057 7.824 1.00 12.36 H new ATOM 0 HH12 ARG A 662 11.077 -20.190 7.259 1.00 12.36 H new ATOM 0 HH21 ARG A 662 11.306 -18.906 4.102 1.00 12.18 H new ATOM 0 HH22 ARG A 662 11.856 -20.109 5.273 1.00 12.18 H new ATOM 2084 N ILE A 663 3.445 -15.774 7.875 1.00 12.98 N ATOM 2085 CA ILE A 663 2.187 -15.044 8.025 1.00 14.27 C ATOM 2086 C ILE A 663 2.150 -13.915 9.066 1.00 16.05 C ATOM 2087 O ILE A 663 1.732 -14.076 10.212 1.00 16.94 O ATOM 2088 CB ILE A 663 1.073 -16.068 8.293 1.00 14.12 C ATOM 2089 CG1 ILE A 663 1.146 -17.331 7.420 1.00 12.59 C ATOM 2090 CG2 ILE A 663 -0.262 -15.424 7.923 1.00 15.26 C ATOM 2091 CD1 ILE A 663 1.653 -18.550 8.196 1.00 12.38 C ATOM 0 H ILE A 663 3.261 -16.751 7.648 1.00 12.98 H new ATOM 0 HA ILE A 663 2.048 -14.505 7.088 1.00 14.27 H new ATOM 0 HB ILE A 663 1.181 -16.351 9.340 1.00 14.12 H new ATOM 0 HG12 ILE A 663 0.157 -17.547 7.015 1.00 12.59 H new ATOM 0 HG13 ILE A 663 1.804 -17.145 6.571 1.00 12.59 H new ATOM 0 HG21 ILE A 663 -1.070 -16.132 8.105 1.00 15.26 H new ATOM 0 HG22 ILE A 663 -0.417 -14.533 8.531 1.00 15.26 H new ATOM 0 HG23 ILE A 663 -0.252 -15.147 6.869 1.00 15.26 H new ATOM 0 HD11 ILE A 663 1.686 -19.415 7.534 1.00 12.38 H new ATOM 0 HD12 ILE A 663 2.654 -18.348 8.578 1.00 12.38 H new ATOM 0 HD13 ILE A 663 0.981 -18.756 9.029 1.00 12.38 H new ATOM 2103 N GLY A 664 2.518 -12.728 8.603 1.00 16.81 N ATOM 2104 CA GLY A 664 2.310 -11.432 9.258 1.00 18.67 C ATOM 2105 C GLY A 664 3.055 -11.253 10.581 1.00 19.77 C ATOM 2106 O GLY A 664 2.656 -10.422 11.397 1.00 21.20 O ATOM 0 H GLY A 664 2.998 -12.632 7.708 1.00 16.81 H new ATOM 0 HA2 GLY A 664 2.619 -10.642 8.574 1.00 18.67 H new ATOM 0 HA3 GLY A 664 1.243 -11.299 9.438 1.00 18.67 H new ATOM 2110 N LYS A 665 4.095 -12.056 10.844 1.00 19.30 N ATOM 2111 CA LYS A 665 4.767 -12.072 12.150 1.00 20.52 C ATOM 2112 C LYS A 665 5.644 -10.828 12.372 1.00 22.00 C ATOM 2113 O LYS A 665 6.157 -10.247 11.413 1.00 22.10 O ATOM 2114 CB LYS A 665 5.533 -13.380 12.375 1.00 19.64 C ATOM 2115 CG LYS A 665 4.749 -14.679 12.099 1.00 18.34 C ATOM 2116 CD LYS A 665 3.392 -14.844 12.805 1.00 18.52 C ATOM 2117 CE LYS A 665 3.530 -14.965 14.324 1.00 19.82 C ATOM 2118 NZ LYS A 665 2.220 -15.235 14.961 1.00 20.31 N ATOM 0 H LYS A 665 4.491 -12.706 10.165 1.00 19.30 H new ATOM 0 HA LYS A 665 3.988 -12.029 12.911 1.00 20.52 H new ATOM 0 HB2 LYS A 665 6.419 -13.372 11.741 1.00 19.64 H new ATOM 0 HB3 LYS A 665 5.880 -13.401 13.408 1.00 19.64 H new ATOM 0 HG2 LYS A 665 4.582 -14.751 11.024 1.00 18.34 H new ATOM 0 HG3 LYS A 665 5.381 -15.521 12.380 1.00 18.34 H new ATOM 0 HD2 LYS A 665 2.757 -13.990 12.568 1.00 18.52 H new ATOM 0 HD3 LYS A 665 2.891 -15.731 12.418 1.00 18.52 H new ATOM 0 HE2 LYS A 665 4.227 -15.767 14.566 1.00 19.82 H new ATOM 0 HE3 LYS A 665 3.951 -14.044 14.728 1.00 19.82 H new ATOM 0 HZ1 LYS A 665 2.344 -15.312 15.991 1.00 20.31 H new ATOM 0 HZ2 LYS A 665 1.564 -14.457 14.749 1.00 20.31 H new ATOM 0 HZ3 LYS A 665 1.831 -16.126 14.591 1.00 20.31 H new ATOM 2132 N LYS A 666 5.805 -10.402 13.630 1.00 23.33 N ATOM 2133 CA LYS A 666 6.595 -9.216 14.027 1.00 24.93 C ATOM 2134 C LYS A 666 7.950 -9.639 14.611 1.00 25.52 C ATOM 2135 O LYS A 666 8.057 -10.704 15.220 1.00 25.46 O ATOM 2136 CB LYS A 666 5.797 -8.341 15.017 1.00 26.29 C ATOM 2137 CG LYS A 666 4.643 -7.509 14.420 1.00 26.78 C ATOM 2138 CD LYS A 666 3.558 -8.310 13.681 1.00 26.18 C ATOM 2139 CE LYS A 666 2.267 -7.497 13.540 1.00 27.38 C ATOM 2140 NZ LYS A 666 1.250 -8.202 12.724 1.00 27.13 N ATOM 0 H LYS A 666 5.381 -10.880 14.425 1.00 23.33 H new ATOM 0 HA LYS A 666 6.793 -8.615 13.140 1.00 24.93 H new ATOM 0 HB2 LYS A 666 5.386 -8.989 15.791 1.00 26.29 H new ATOM 0 HB3 LYS A 666 6.492 -7.659 15.507 1.00 26.29 H new ATOM 0 HG2 LYS A 666 4.169 -6.948 15.225 1.00 26.78 H new ATOM 0 HG3 LYS A 666 5.065 -6.780 13.729 1.00 26.78 H new ATOM 0 HD2 LYS A 666 3.921 -8.594 12.693 1.00 26.18 H new ATOM 0 HD3 LYS A 666 3.352 -9.233 14.222 1.00 26.18 H new ATOM 0 HE2 LYS A 666 1.858 -7.292 14.530 1.00 27.38 H new ATOM 0 HE3 LYS A 666 2.494 -6.534 13.083 1.00 27.38 H new ATOM 0 HZ1 LYS A 666 0.850 -7.545 12.024 1.00 27.13 H new ATOM 0 HZ2 LYS A 666 1.694 -9.003 12.232 1.00 27.13 H new ATOM 0 HZ3 LYS A 666 0.491 -8.553 13.342 1.00 27.13 H new ATOM 2154 N ASN A 667 8.971 -8.785 14.481 1.00 26.31 N ATOM 2155 CA ASN A 667 10.341 -9.082 14.928 1.00 27.08 C ATOM 2156 C ASN A 667 10.408 -9.313 16.449 1.00 28.24 C ATOM 2157 O ASN A 667 10.888 -10.355 16.902 1.00 28.18 O ATOM 2158 CB ASN A 667 11.264 -7.940 14.463 1.00 27.81 C ATOM 2159 CG ASN A 667 12.707 -8.123 14.908 1.00 28.61 C ATOM 2160 OD1 ASN A 667 13.159 -7.536 15.878 1.00 29.71 O ATOM 2161 ND2 ASN A 667 13.471 -8.936 14.223 1.00 28.25 N ATOM 0 H ASN A 667 8.872 -7.861 14.060 1.00 26.31 H new ATOM 0 HA ASN A 667 10.680 -10.015 14.479 1.00 27.08 H new ATOM 0 HB2 ASN A 667 11.231 -7.873 13.376 1.00 27.81 H new ATOM 0 HB3 ASN A 667 10.887 -6.994 14.852 1.00 27.81 H new ATOM 0 HD21 ASN A 667 14.442 -9.078 14.500 1.00 28.25 H new ATOM 0 HD22 ASN A 667 13.095 -9.427 13.412 1.00 28.25 H new ATOM 2168 N SER A 668 9.849 -8.378 17.219 1.00 29.42 N ATOM 2169 CA SER A 668 9.744 -8.418 18.682 1.00 30.75 C ATOM 2170 C SER A 668 8.290 -8.240 19.131 1.00 31.42 C ATOM 2171 O SER A 668 7.649 -9.206 19.557 1.00 31.26 O ATOM 2172 CB SER A 668 10.690 -7.370 19.293 1.00 31.82 C ATOM 2173 OG SER A 668 10.448 -6.084 18.746 1.00 31.83 O ATOM 0 H SER A 668 9.438 -7.533 16.823 1.00 29.42 H new ATOM 0 HA SER A 668 10.056 -9.397 19.046 1.00 30.75 H new ATOM 0 HB2 SER A 668 10.555 -7.340 20.374 1.00 31.82 H new ATOM 0 HB3 SER A 668 11.725 -7.658 19.109 1.00 31.82 H new ATOM 0 HG SER A 668 11.061 -5.435 19.152 1.00 31.83 H new ATOM 2179 N ILE A 669 7.764 -7.021 18.999 1.00 32.28 N ATOM 2180 CA ILE A 669 6.435 -6.565 19.436 1.00 33.28 C ATOM 2181 C ILE A 669 5.935 -5.415 18.542 1.00 33.37 C ATOM 2182 O ILE A 669 6.725 -4.722 17.893 1.00 33.10 O ATOM 2183 CB ILE A 669 6.467 -6.120 20.924 1.00 34.93 C ATOM 2184 CG1 ILE A 669 7.485 -4.979 21.173 1.00 35.61 C ATOM 2185 CG2 ILE A 669 6.735 -7.321 21.848 1.00 35.05 C ATOM 2186 CD1 ILE A 669 7.583 -4.523 22.635 1.00 37.34 C ATOM 0 H ILE A 669 8.290 -6.270 18.552 1.00 32.28 H new ATOM 0 HA ILE A 669 5.742 -7.401 19.343 1.00 33.28 H new ATOM 0 HB ILE A 669 5.482 -5.719 21.163 1.00 34.93 H new ATOM 0 HG12 ILE A 669 8.470 -5.309 20.841 1.00 35.61 H new ATOM 0 HG13 ILE A 669 7.211 -4.123 20.556 1.00 35.61 H new ATOM 0 HG21 ILE A 669 6.753 -6.985 22.885 1.00 35.05 H new ATOM 0 HG22 ILE A 669 5.946 -8.062 21.720 1.00 35.05 H new ATOM 0 HG23 ILE A 669 7.696 -7.768 21.594 1.00 35.05 H new ATOM 0 HD11 ILE A 669 8.318 -3.722 22.718 1.00 37.34 H new ATOM 0 HD12 ILE A 669 6.611 -4.159 22.969 1.00 37.34 H new ATOM 0 HD13 ILE A 669 7.889 -5.363 23.258 1.00 37.34 H new ATOM 2198 N LEU A 670 4.624 -5.169 18.522 1.00 33.96 N ATOM 2199 CA LEU A 670 3.977 -4.063 17.824 1.00 34.40 C ATOM 2200 C LEU A 670 3.833 -2.842 18.765 1.00 36.04 C ATOM 2201 O LEU A 670 2.729 -2.367 19.035 1.00 36.79 O ATOM 2202 CB LEU A 670 2.672 -4.627 17.224 1.00 34.05 C ATOM 2203 CG LEU A 670 1.874 -3.659 16.343 1.00 34.21 C ATOM 2204 CD1 LEU A 670 2.687 -3.072 15.186 1.00 33.97 C ATOM 2205 CD2 LEU A 670 0.656 -4.371 15.755 1.00 33.64 C ATOM 0 H LEU A 670 3.957 -5.763 19.015 1.00 33.96 H new ATOM 0 HA LEU A 670 4.565 -3.666 16.997 1.00 34.40 H new ATOM 0 HB2 LEU A 670 2.917 -5.510 16.633 1.00 34.05 H new ATOM 0 HB3 LEU A 670 2.031 -4.958 18.041 1.00 34.05 H new ATOM 0 HG LEU A 670 1.580 -2.836 16.995 1.00 34.21 H new ATOM 0 HD11 LEU A 670 2.059 -2.397 14.606 1.00 33.97 H new ATOM 0 HD12 LEU A 670 3.540 -2.522 15.583 1.00 33.97 H new ATOM 0 HD13 LEU A 670 3.042 -3.879 14.544 1.00 33.97 H new ATOM 0 HD21 LEU A 670 0.095 -3.676 15.130 1.00 33.64 H new ATOM 0 HD22 LEU A 670 0.985 -5.217 15.151 1.00 33.64 H new ATOM 0 HD23 LEU A 670 0.018 -4.729 16.563 1.00 33.64 H new ATOM 2217 N LEU A 671 4.962 -2.360 19.299 1.00 36.68 N ATOM 2218 CA LEU A 671 5.045 -1.209 20.211 1.00 38.30 C ATOM 2219 C LEU A 671 6.156 -0.237 19.787 1.00 38.82 C ATOM 2220 O LEU A 671 7.278 -0.656 19.482 1.00 38.15 O ATOM 2221 CB LEU A 671 5.226 -1.705 21.659 1.00 38.89 C ATOM 2222 CG LEU A 671 5.445 -0.614 22.730 1.00 40.54 C ATOM 2223 CD1 LEU A 671 4.326 0.430 22.791 1.00 41.63 C ATOM 2224 CD2 LEU A 671 5.548 -1.273 24.105 1.00 40.94 C ATOM 0 H LEU A 671 5.874 -2.773 19.103 1.00 36.68 H new ATOM 0 HA LEU A 671 4.112 -0.648 20.159 1.00 38.30 H new ATOM 0 HB2 LEU A 671 4.345 -2.285 21.935 1.00 38.89 H new ATOM 0 HB3 LEU A 671 6.077 -2.386 21.684 1.00 38.89 H new ATOM 0 HG LEU A 671 6.362 -0.095 22.450 1.00 40.54 H new ATOM 0 HD11 LEU A 671 4.553 1.161 23.567 1.00 41.63 H new ATOM 0 HD12 LEU A 671 4.247 0.935 21.828 1.00 41.63 H new ATOM 0 HD13 LEU A 671 3.381 -0.062 23.021 1.00 41.63 H new ATOM 0 HD21 LEU A 671 5.703 -0.507 24.865 1.00 40.94 H new ATOM 0 HD22 LEU A 671 4.627 -1.815 24.319 1.00 40.94 H new ATOM 0 HD23 LEU A 671 6.388 -1.967 24.114 1.00 40.94 H new ATOM 2236 N HIS A 672 5.804 1.051 19.785 1.00 40.10 N ATOM 2237 CA HIS A 672 6.582 2.234 19.397 1.00 40.99 C ATOM 2238 C HIS A 672 8.062 2.237 19.810 1.00 41.17 C ATOM 2239 O HIS A 672 8.915 2.383 18.900 1.00 40.84 O ATOM 2240 CB HIS A 672 5.849 3.456 19.973 1.00 42.52 C ATOM 2241 CG HIS A 672 6.358 4.756 19.410 1.00 43.52 C ATOM 2242 ND1 HIS A 672 7.177 5.648 20.057 1.00 44.43 N ATOM 2243 CD2 HIS A 672 6.171 5.233 18.142 1.00 43.75 C ATOM 2244 CE1 HIS A 672 7.493 6.634 19.207 1.00 45.17 C ATOM 2245 NE2 HIS A 672 6.895 6.428 18.020 1.00 44.80 N ATOM 0 H HIS A 672 4.868 1.321 20.087 1.00 40.10 H new ATOM 0 HA HIS A 672 6.634 2.245 18.308 1.00 40.99 H new ATOM 0 HB2 HIS A 672 4.783 3.367 19.764 1.00 42.52 H new ATOM 0 HB3 HIS A 672 5.962 3.465 21.057 1.00 42.52 H new ATOM 0 HD2 HIS A 672 5.572 4.771 17.371 1.00 43.75 H new ATOM 0 HE1 HIS A 672 8.134 7.471 19.441 1.00 45.17 H new ATOM 0 HE2 HIS A 672 6.956 7.023 17.194 1.00 44.80 H new TER 2253 HIS A 672