USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 981 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 541 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 606 TYR OH : rot 0:sc= 1.25 USER MOD Set 2.1: A 593 THR OG1 : rot 180:sc= -0.0527 USER MOD Set 2.2: A 596 ASN : amide:sc= -0.37 K(o=-0.72,f=-3.1!) USER MOD Set 2.3: A 599 MET CE :methyl -158:sc= -0.295 (180deg=-1.15) USER MOD Set 3.1: A 559 LYS NZ :NH3+ 172:sc= 0.468 (180deg=0) USER MOD Set 3.2: A 634 SER OG : rot 180:sc= 0.432 USER MOD Single : A 535 CYS SG : rot 180:sc= 0 USER MOD Single : A 537 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 542 MET CE :methyl 173:sc= 0 (180deg=-0.06) USER MOD Single : A 547 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 551 ASN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 554 THR OG1 : rot 111:sc= 1.62 USER MOD Single : A 556 MET CE :methyl -170:sc= -0.725 (180deg=-0.995) USER MOD Single : A 558 THR OG1 : rot -79:sc= 1.25 USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 570 TYR OH : rot 180:sc= 0.636 USER MOD Single : A 576 THR OG1 : rot 180:sc= -0.0191 USER MOD Single : A 579 LYS NZ :NH3+ -158:sc= 1.27 (180deg=1.15) USER MOD Single : A 580 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 581 MET CE :methyl 136:sc= -0.062 (180deg=-0.805) USER MOD Single : A 582 TYR OH : rot 65:sc= 0.361 USER MOD Single : A 585 GLN : amide:sc= 1.02 K(o=1,f=-4.3!) USER MOD Single : A 586 HIS : no HE2:sc= 0.308 K(o=0.31,f=-1.1) USER MOD Single : A 590 SER OG : rot 180:sc= 0 USER MOD Single : A 594 LYS NZ :NH3+ 156:sc= 1.15 (180deg=0.409) USER MOD Single : A 597 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.0155) 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 105:sc= 0.00231 USER MOD Single : A 611 CYS SG : rot 16:sc= -0.395 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= -0.0551 USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 628 CYS SG : rot -160:sc= -0.542 USER MOD Single : A 631 TYR OH : rot 151:sc= 0 USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD Single : A 637 ASN : amide:sc=-0.00468 X(o=-0.0047,f=-0.0047) USER MOD Single : A 639 ASN : amide:sc= 0.971 K(o=0.97,f=0) USER MOD Single : A 645 TYR OH : rot 180:sc= 0 USER MOD Single : A 647 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 648 MET CE :methyl 168:sc=-0.00863 (180deg=-0.392) USER MOD Single : A 654 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N CYS A 535 6.612 10.495 6.993 1.00 4.12 N ATOM 16 CA CYS A 535 7.544 10.605 5.860 1.00 3.46 C ATOM 17 C CYS A 535 8.021 9.217 5.369 1.00 2.66 C ATOM 18 O CYS A 535 7.195 8.312 5.220 1.00 2.19 O ATOM 19 CB CYS A 535 8.661 11.620 6.180 1.00 5.68 C ATOM 20 SG CYS A 535 7.966 13.246 6.598 1.00 6.81 S ATOM 0 HA CYS A 535 7.022 11.016 4.996 1.00 3.46 H new ATOM 0 HB2 CYS A 535 9.263 11.253 7.012 1.00 5.68 H new ATOM 0 HB3 CYS A 535 9.327 11.715 5.322 1.00 5.68 H new ATOM 0 HG CYS A 535 8.931 14.075 6.864 1.00 6.81 H new ATOM 26 N ARG A 536 9.322 9.010 5.096 1.00 2.68 N ATOM 27 CA ARG A 536 9.818 7.768 4.465 1.00 2.16 C ATOM 28 C ARG A 536 9.594 6.500 5.300 1.00 2.17 C ATOM 29 O ARG A 536 9.378 5.436 4.721 1.00 1.95 O ATOM 30 CB ARG A 536 11.277 7.931 3.986 1.00 2.68 C ATOM 31 CG ARG A 536 12.349 7.877 5.093 1.00 3.44 C ATOM 32 CD ARG A 536 13.779 7.998 4.540 1.00 4.06 C ATOM 33 NE ARG A 536 14.087 9.360 4.056 1.00 3.46 N ATOM 34 CZ ARG A 536 14.926 10.240 4.580 1.00 3.69 C ATOM 35 NH1 ARG A 536 15.678 9.996 5.616 1.00 4.53 N ATOM 36 NH2 ARG A 536 15.025 11.423 4.052 1.00 3.95 N ATOM 0 H ARG A 536 10.054 9.689 5.303 1.00 2.68 H new ATOM 0 HA ARG A 536 9.199 7.609 3.582 1.00 2.16 H new ATOM 0 HB2 ARG A 536 11.492 7.149 3.258 1.00 2.68 H new ATOM 0 HB3 ARG A 536 11.366 8.884 3.465 1.00 2.68 H new ATOM 0 HG2 ARG A 536 12.170 8.682 5.806 1.00 3.44 H new ATOM 0 HG3 ARG A 536 12.253 6.939 5.640 1.00 3.44 H new ATOM 0 HD2 ARG A 536 14.490 7.724 5.319 1.00 4.06 H new ATOM 0 HD3 ARG A 536 13.910 7.288 3.724 1.00 4.06 H new ATOM 0 HE ARG A 536 13.593 9.659 3.215 1.00 3.46 H new ATOM 0 HH11 ARG A 536 15.640 9.084 6.070 1.00 4.53 H new ATOM 0 HH12 ARG A 536 16.305 10.717 5.972 1.00 4.53 H new ATOM 0 HH21 ARG A 536 14.459 11.668 3.240 1.00 3.95 H new ATOM 0 HH22 ARG A 536 15.669 12.107 4.450 1.00 3.95 H new ATOM 50 N LYS A 537 9.550 6.599 6.636 1.00 2.62 N ATOM 51 CA LYS A 537 9.288 5.465 7.556 1.00 2.79 C ATOM 52 C LYS A 537 7.968 4.736 7.313 1.00 2.39 C ATOM 53 O LYS A 537 7.873 3.555 7.654 1.00 2.49 O ATOM 54 CB LYS A 537 9.333 5.941 9.012 1.00 3.36 C ATOM 55 CG LYS A 537 10.788 6.178 9.402 1.00 4.07 C ATOM 56 CD LYS A 537 10.918 6.502 10.894 1.00 4.45 C ATOM 57 CE LYS A 537 12.369 6.523 11.396 1.00 5.52 C ATOM 58 NZ LYS A 537 13.220 7.508 10.691 1.00 6.70 N ATOM 0 H LYS A 537 9.697 7.482 7.124 1.00 2.62 H new ATOM 0 HA LYS A 537 10.080 4.745 7.350 1.00 2.79 H new ATOM 0 HB2 LYS A 537 8.756 6.859 9.128 1.00 3.36 H new ATOM 0 HB3 LYS A 537 8.882 5.196 9.668 1.00 3.36 H new ATOM 0 HG2 LYS A 537 11.379 5.293 9.167 1.00 4.07 H new ATOM 0 HG3 LYS A 537 11.196 6.999 8.812 1.00 4.07 H new ATOM 0 HD2 LYS A 537 10.462 7.473 11.087 1.00 4.45 H new ATOM 0 HD3 LYS A 537 10.355 5.766 11.467 1.00 4.45 H new ATOM 0 HE2 LYS A 537 12.374 6.747 12.463 1.00 5.52 H new ATOM 0 HE3 LYS A 537 12.801 5.529 11.277 1.00 5.52 H new ATOM 0 HZ1 LYS A 537 14.185 7.472 11.077 1.00 6.70 H new ATOM 0 HZ2 LYS A 537 13.244 7.283 9.676 1.00 6.70 H new ATOM 0 HZ3 LYS A 537 12.830 8.463 10.825 1.00 6.70 H new ATOM 72 N LEU A 538 6.998 5.421 6.709 1.00 2.04 N ATOM 73 CA LEU A 538 5.653 4.891 6.419 1.00 1.69 C ATOM 74 C LEU A 538 5.688 3.747 5.396 1.00 1.58 C ATOM 75 O LEU A 538 4.991 2.745 5.566 1.00 1.52 O ATOM 76 CB LEU A 538 4.722 6.010 5.914 1.00 1.63 C ATOM 77 CG LEU A 538 4.268 7.030 6.971 1.00 1.74 C ATOM 78 CD1 LEU A 538 3.614 8.231 6.289 1.00 2.56 C ATOM 79 CD2 LEU A 538 3.252 6.442 7.952 1.00 2.26 C ATOM 0 H LEU A 538 7.122 6.384 6.397 1.00 2.04 H new ATOM 0 HA LEU A 538 5.265 4.491 7.356 1.00 1.69 H new ATOM 0 HB2 LEU A 538 5.231 6.547 5.113 1.00 1.63 H new ATOM 0 HB3 LEU A 538 3.836 5.550 5.476 1.00 1.63 H new ATOM 0 HG LEU A 538 5.161 7.323 7.523 1.00 1.74 H new ATOM 0 HD11 LEU A 538 3.295 8.949 7.044 1.00 2.56 H new ATOM 0 HD12 LEU A 538 4.332 8.704 5.619 1.00 2.56 H new ATOM 0 HD13 LEU A 538 2.748 7.898 5.717 1.00 2.56 H new ATOM 0 HD21 LEU A 538 2.964 7.203 8.677 1.00 2.26 H new ATOM 0 HD22 LEU A 538 2.369 6.109 7.406 1.00 2.26 H new ATOM 0 HD23 LEU A 538 3.698 5.594 8.473 1.00 2.26 H new ATOM 91 N VAL A 539 6.521 3.883 4.358 1.00 1.69 N ATOM 92 CA VAL A 539 6.793 2.829 3.368 1.00 1.63 C ATOM 93 C VAL A 539 7.987 1.963 3.798 1.00 1.70 C ATOM 94 O VAL A 539 7.928 0.740 3.717 1.00 1.76 O ATOM 95 CB VAL A 539 6.895 3.445 1.955 1.00 1.50 C ATOM 96 CG1 VAL A 539 8.301 3.930 1.612 1.00 1.31 C ATOM 97 CG2 VAL A 539 6.435 2.450 0.891 1.00 1.59 C ATOM 0 H VAL A 539 7.036 4.745 4.177 1.00 1.69 H new ATOM 0 HA VAL A 539 5.958 2.130 3.320 1.00 1.63 H new ATOM 0 HB VAL A 539 6.237 4.314 1.963 1.00 1.50 H new ATOM 0 HG11 VAL A 539 8.305 4.352 0.607 1.00 1.31 H new ATOM 0 HG12 VAL A 539 8.607 4.694 2.327 1.00 1.31 H new ATOM 0 HG13 VAL A 539 8.996 3.092 1.657 1.00 1.31 H new ATOM 0 HG21 VAL A 539 6.516 2.908 -0.095 1.00 1.59 H new ATOM 0 HG22 VAL A 539 7.062 1.559 0.930 1.00 1.59 H new ATOM 0 HG23 VAL A 539 5.398 2.172 1.077 1.00 1.59 H new ATOM 107 N ALA A 540 9.049 2.572 4.341 1.00 1.76 N ATOM 108 CA ALA A 540 10.337 1.923 4.596 1.00 1.96 C ATOM 109 C ALA A 540 10.351 0.914 5.760 1.00 2.36 C ATOM 110 O ALA A 540 11.389 0.292 6.015 1.00 2.57 O ATOM 111 CB ALA A 540 11.389 3.010 4.833 1.00 2.05 C ATOM 0 H ALA A 540 9.034 3.553 4.621 1.00 1.76 H new ATOM 0 HA ALA A 540 10.557 1.325 3.712 1.00 1.96 H new ATOM 0 HB1 ALA A 540 12.356 2.545 5.025 1.00 2.05 H new ATOM 0 HB2 ALA A 540 11.461 3.646 3.950 1.00 2.05 H new ATOM 0 HB3 ALA A 540 11.100 3.615 5.693 1.00 2.05 H new ATOM 117 N SER A 541 9.237 0.735 6.479 1.00 2.57 N ATOM 118 CA SER A 541 9.154 -0.225 7.587 1.00 3.06 C ATOM 119 C SER A 541 9.100 -1.672 7.078 1.00 3.34 C ATOM 120 O SER A 541 9.539 -2.596 7.766 1.00 3.93 O ATOM 121 CB SER A 541 7.931 0.070 8.465 1.00 3.42 C ATOM 122 OG SER A 541 6.731 -0.166 7.756 1.00 4.25 O ATOM 0 H SER A 541 8.372 1.248 6.311 1.00 2.57 H new ATOM 0 HA SER A 541 10.058 -0.112 8.186 1.00 3.06 H new ATOM 0 HB2 SER A 541 7.960 -0.556 9.357 1.00 3.42 H new ATOM 0 HB3 SER A 541 7.961 1.106 8.801 1.00 3.42 H new ATOM 0 HG SER A 541 5.965 0.027 8.336 1.00 4.25 H new ATOM 128 N MET A 542 8.591 -1.857 5.856 1.00 2.98 N ATOM 129 CA MET A 542 8.344 -3.140 5.214 1.00 3.05 C ATOM 130 C MET A 542 9.617 -3.936 4.882 1.00 3.11 C ATOM 131 O MET A 542 10.671 -3.346 4.626 1.00 2.94 O ATOM 132 CB MET A 542 7.532 -2.905 3.927 1.00 2.73 C ATOM 133 CG MET A 542 6.037 -3.197 4.114 1.00 2.73 C ATOM 134 SD MET A 542 5.360 -4.484 3.039 1.00 3.42 S ATOM 135 CE MET A 542 5.153 -3.511 1.536 1.00 1.91 C ATOM 0 H MET A 542 8.328 -1.071 5.262 1.00 2.98 H new ATOM 0 HA MET A 542 7.792 -3.747 5.932 1.00 3.05 H new ATOM 0 HB2 MET A 542 7.660 -1.872 3.604 1.00 2.73 H new ATOM 0 HB3 MET A 542 7.926 -3.538 3.132 1.00 2.73 H new ATOM 0 HG2 MET A 542 5.867 -3.487 5.151 1.00 2.73 H new ATOM 0 HG3 MET A 542 5.480 -2.276 3.945 1.00 2.73 H new ATOM 0 HE1 MET A 542 4.859 -4.166 0.716 1.00 1.91 H new ATOM 0 HE2 MET A 542 4.381 -2.758 1.694 1.00 1.91 H new ATOM 0 HE3 MET A 542 6.094 -3.020 1.288 1.00 1.91 H new ATOM 145 N PRO A 543 9.512 -5.273 4.759 1.00 3.41 N ATOM 146 CA PRO A 543 10.631 -6.153 4.419 1.00 3.64 C ATOM 147 C PRO A 543 11.137 -5.932 2.986 1.00 3.34 C ATOM 148 O PRO A 543 12.308 -6.186 2.710 1.00 3.53 O ATOM 149 CB PRO A 543 10.088 -7.570 4.618 1.00 4.06 C ATOM 150 CG PRO A 543 8.608 -7.422 4.275 1.00 4.03 C ATOM 151 CD PRO A 543 8.274 -6.037 4.826 1.00 3.65 C ATOM 0 HA PRO A 543 11.500 -5.954 5.047 1.00 3.64 H new ATOM 0 HB2 PRO A 543 10.584 -8.288 3.964 1.00 4.06 H new ATOM 0 HB3 PRO A 543 10.232 -7.918 5.641 1.00 4.06 H new ATOM 0 HG2 PRO A 543 8.433 -7.484 3.201 1.00 4.03 H new ATOM 0 HG3 PRO A 543 8.004 -8.200 4.742 1.00 4.03 H new ATOM 0 HD2 PRO A 543 7.489 -5.561 4.238 1.00 3.65 H new ATOM 0 HD3 PRO A 543 7.910 -6.102 5.851 1.00 3.65 H new ATOM 159 N LEU A 544 10.299 -5.358 2.106 1.00 2.91 N ATOM 160 CA LEU A 544 10.689 -4.915 0.760 1.00 2.67 C ATOM 161 C LEU A 544 11.778 -3.826 0.785 1.00 2.48 C ATOM 162 O LEU A 544 12.462 -3.607 -0.215 1.00 2.48 O ATOM 163 CB LEU A 544 9.475 -4.389 -0.032 1.00 2.46 C ATOM 164 CG LEU A 544 8.132 -5.136 0.044 1.00 1.51 C ATOM 165 CD1 LEU A 544 7.184 -4.554 -1.008 1.00 1.68 C ATOM 166 CD2 LEU A 544 8.214 -6.635 -0.212 1.00 3.12 C ATOM 0 H LEU A 544 9.315 -5.187 2.315 1.00 2.91 H new ATOM 0 HA LEU A 544 11.097 -5.797 0.266 1.00 2.67 H new ATOM 0 HB2 LEU A 544 9.296 -3.363 0.291 1.00 2.46 H new ATOM 0 HB3 LEU A 544 9.765 -4.347 -1.082 1.00 2.46 H new ATOM 0 HG LEU A 544 7.784 -5.002 1.068 1.00 1.51 H new ATOM 0 HD11 LEU A 544 6.228 -5.075 -0.964 1.00 1.68 H new ATOM 0 HD12 LEU A 544 7.028 -3.493 -0.810 1.00 1.68 H new ATOM 0 HD13 LEU A 544 7.620 -4.678 -1.999 1.00 1.68 H new ATOM 0 HD21 LEU A 544 7.218 -7.072 -0.137 1.00 3.12 H new ATOM 0 HD22 LEU A 544 8.613 -6.812 -1.211 1.00 3.12 H new ATOM 0 HD23 LEU A 544 8.869 -7.095 0.528 1.00 3.12 H new ATOM 178 N PHE A 545 11.960 -3.157 1.929 1.00 2.47 N ATOM 179 CA PHE A 545 12.905 -2.057 2.138 1.00 2.37 C ATOM 180 C PHE A 545 13.923 -2.354 3.248 1.00 2.64 C ATOM 181 O PHE A 545 14.600 -1.441 3.724 1.00 2.54 O ATOM 182 CB PHE A 545 12.136 -0.757 2.393 1.00 2.26 C ATOM 183 CG PHE A 545 10.998 -0.504 1.426 1.00 1.90 C ATOM 184 CD1 PHE A 545 11.226 0.044 0.150 1.00 2.89 C ATOM 185 CD2 PHE A 545 9.695 -0.834 1.820 1.00 2.04 C ATOM 186 CE1 PHE A 545 10.136 0.325 -0.695 1.00 2.66 C ATOM 187 CE2 PHE A 545 8.609 -0.585 0.967 1.00 2.10 C ATOM 188 CZ PHE A 545 8.827 0.023 -0.280 1.00 1.62 C ATOM 0 H PHE A 545 11.429 -3.378 2.771 1.00 2.47 H new ATOM 0 HA PHE A 545 13.494 -1.941 1.228 1.00 2.37 H new ATOM 0 HB2 PHE A 545 11.737 -0.778 3.407 1.00 2.26 H new ATOM 0 HB3 PHE A 545 12.833 0.079 2.342 1.00 2.26 H new ATOM 0 HD1 PHE A 545 12.234 0.248 -0.180 1.00 2.89 H new ATOM 0 HD2 PHE A 545 9.525 -1.283 2.787 1.00 2.04 H new ATOM 0 HE1 PHE A 545 10.305 0.773 -1.663 1.00 2.66 H new ATOM 0 HE2 PHE A 545 7.609 -0.860 1.268 1.00 2.10 H new ATOM 0 HZ PHE A 545 7.990 0.259 -0.920 1.00 1.62 H new ATOM 198 N ALA A 546 14.069 -3.629 3.623 1.00 3.08 N ATOM 199 CA ALA A 546 15.125 -4.129 4.514 1.00 3.71 C ATOM 200 C ALA A 546 16.516 -3.604 4.145 1.00 3.63 C ATOM 201 O ALA A 546 17.332 -3.305 5.016 1.00 3.87 O ATOM 202 CB ALA A 546 15.162 -5.649 4.364 1.00 4.31 C ATOM 0 H ALA A 546 13.438 -4.365 3.306 1.00 3.08 H new ATOM 0 HA ALA A 546 14.896 -3.795 5.526 1.00 3.71 H new ATOM 0 HB1 ALA A 546 15.936 -6.060 5.012 1.00 4.31 H new ATOM 0 HB2 ALA A 546 14.195 -6.066 4.645 1.00 4.31 H new ATOM 0 HB3 ALA A 546 15.381 -5.907 3.328 1.00 4.31 H new ATOM 208 N ASN A 547 16.763 -3.509 2.839 1.00 3.36 N ATOM 209 CA ASN A 547 18.049 -3.194 2.238 1.00 3.38 C ATOM 210 C ASN A 547 18.042 -1.886 1.433 1.00 2.79 C ATOM 211 O ASN A 547 19.055 -1.505 0.844 1.00 2.78 O ATOM 212 CB ASN A 547 18.435 -4.419 1.397 1.00 3.96 C ATOM 213 CG ASN A 547 19.710 -4.999 1.918 1.00 4.76 C ATOM 214 OD1 ASN A 547 20.812 -4.688 1.473 1.00 5.32 O ATOM 215 ND2 ASN A 547 19.593 -5.780 2.950 1.00 5.11 N ATOM 0 H ASN A 547 16.034 -3.658 2.142 1.00 3.36 H new ATOM 0 HA ASN A 547 18.795 -3.003 3.009 1.00 3.38 H new ATOM 0 HB2 ASN A 547 17.641 -5.165 1.436 1.00 3.96 H new ATOM 0 HB3 ASN A 547 18.553 -4.133 0.352 1.00 3.96 H new ATOM 0 HD21 ASN A 547 20.427 -6.148 3.408 1.00 5.11 H new ATOM 0 HD22 ASN A 547 18.667 -6.025 3.302 1.00 5.11 H new ATOM 222 N ALA A 548 16.901 -1.198 1.400 1.00 2.41 N ATOM 223 CA ALA A 548 16.698 -0.013 0.569 1.00 1.95 C ATOM 224 C ALA A 548 17.643 1.153 0.917 1.00 1.70 C ATOM 225 O ALA A 548 17.889 1.446 2.089 1.00 1.69 O ATOM 226 CB ALA A 548 15.238 0.428 0.684 1.00 1.67 C ATOM 0 H ALA A 548 16.084 -1.451 1.955 1.00 2.41 H new ATOM 0 HA ALA A 548 16.937 -0.290 -0.458 1.00 1.95 H new ATOM 0 HB1 ALA A 548 15.075 1.312 0.068 1.00 1.67 H new ATOM 0 HB2 ALA A 548 14.587 -0.377 0.343 1.00 1.67 H new ATOM 0 HB3 ALA A 548 15.010 0.664 1.723 1.00 1.67 H new ATOM 232 N ASP A 549 18.106 1.859 -0.117 1.00 1.57 N ATOM 233 CA ASP A 549 18.775 3.159 0.004 1.00 1.33 C ATOM 234 C ASP A 549 17.738 4.248 0.388 1.00 1.03 C ATOM 235 O ASP A 549 16.624 4.251 -0.155 1.00 0.84 O ATOM 236 CB ASP A 549 19.495 3.445 -1.329 1.00 1.46 C ATOM 237 CG ASP A 549 20.340 4.721 -1.323 1.00 1.47 C ATOM 238 OD1 ASP A 549 19.760 5.817 -1.189 1.00 2.17 O ATOM 239 OD2 ASP A 549 21.583 4.633 -1.471 1.00 2.10 O ATOM 0 H ASP A 549 18.025 1.538 -1.082 1.00 1.57 H new ATOM 0 HA ASP A 549 19.521 3.158 0.798 1.00 1.33 H new ATOM 0 HB2 ASP A 549 20.137 2.598 -1.571 1.00 1.46 H new ATOM 0 HB3 ASP A 549 18.751 3.519 -2.123 1.00 1.46 H new ATOM 244 N PRO A 550 18.048 5.183 1.309 1.00 1.02 N ATOM 245 CA PRO A 550 17.100 6.215 1.739 1.00 0.96 C ATOM 246 C PRO A 550 16.719 7.204 0.620 1.00 0.85 C ATOM 247 O PRO A 550 15.646 7.805 0.684 1.00 0.85 O ATOM 248 CB PRO A 550 17.791 6.936 2.902 1.00 1.05 C ATOM 249 CG PRO A 550 19.274 6.757 2.581 1.00 1.07 C ATOM 250 CD PRO A 550 19.312 5.339 2.019 1.00 1.13 C ATOM 0 HA PRO A 550 16.153 5.761 2.029 1.00 0.96 H new ATOM 0 HB2 PRO A 550 17.512 7.989 2.948 1.00 1.05 H new ATOM 0 HB3 PRO A 550 17.530 6.495 3.864 1.00 1.05 H new ATOM 0 HG2 PRO A 550 19.626 7.492 1.857 1.00 1.07 H new ATOM 0 HG3 PRO A 550 19.898 6.860 3.469 1.00 1.07 H new ATOM 0 HD2 PRO A 550 20.161 5.202 1.349 1.00 1.13 H new ATOM 0 HD3 PRO A 550 19.412 4.601 2.815 1.00 1.13 H new ATOM 258 N ASN A 551 17.531 7.359 -0.430 1.00 0.91 N ATOM 259 CA ASN A 551 17.211 8.194 -1.592 1.00 0.90 C ATOM 260 C ASN A 551 16.214 7.487 -2.523 1.00 0.83 C ATOM 261 O ASN A 551 15.245 8.108 -2.959 1.00 0.86 O ATOM 262 CB ASN A 551 18.503 8.552 -2.346 1.00 1.01 C ATOM 263 CG ASN A 551 19.526 9.257 -1.478 1.00 1.19 C ATOM 264 OD1 ASN A 551 19.477 10.468 -1.292 1.00 1.79 O ATOM 265 ND2 ASN A 551 20.434 8.526 -0.882 1.00 1.73 N ATOM 0 H ASN A 551 18.441 6.902 -0.498 1.00 0.91 H new ATOM 0 HA ASN A 551 16.739 9.112 -1.242 1.00 0.90 H new ATOM 0 HB2 ASN A 551 18.945 7.641 -2.749 1.00 1.01 H new ATOM 0 HB3 ASN A 551 18.256 9.189 -3.195 1.00 1.01 H new ATOM 0 HD21 ASN A 551 21.110 8.963 -0.256 1.00 1.73 H new ATOM 0 HD22 ASN A 551 20.465 7.519 -1.044 1.00 1.73 H new ATOM 272 N PHE A 552 16.402 6.180 -2.752 1.00 0.83 N ATOM 273 CA PHE A 552 15.495 5.310 -3.521 1.00 0.81 C ATOM 274 C PHE A 552 14.081 5.329 -2.935 1.00 0.69 C ATOM 275 O PHE A 552 13.108 5.657 -3.617 1.00 0.73 O ATOM 276 CB PHE A 552 16.053 3.872 -3.509 1.00 0.91 C ATOM 277 CG PHE A 552 15.095 2.771 -3.948 1.00 1.00 C ATOM 278 CD1 PHE A 552 14.695 2.654 -5.290 1.00 2.49 C ATOM 279 CD2 PHE A 552 14.600 1.854 -3.000 1.00 1.59 C ATOM 280 CE1 PHE A 552 13.813 1.631 -5.685 1.00 2.64 C ATOM 281 CE2 PHE A 552 13.723 0.825 -3.392 1.00 1.58 C ATOM 282 CZ PHE A 552 13.332 0.712 -4.737 1.00 1.31 C ATOM 0 H PHE A 552 17.217 5.680 -2.396 1.00 0.83 H new ATOM 0 HA PHE A 552 15.435 5.679 -4.545 1.00 0.81 H new ATOM 0 HB2 PHE A 552 16.930 3.840 -4.156 1.00 0.91 H new ATOM 0 HB3 PHE A 552 16.394 3.646 -2.499 1.00 0.91 H new ATOM 0 HD1 PHE A 552 15.067 3.354 -6.023 1.00 2.49 H new ATOM 0 HD2 PHE A 552 14.896 1.941 -1.965 1.00 1.59 H new ATOM 0 HE1 PHE A 552 13.506 1.552 -6.717 1.00 2.64 H new ATOM 0 HE2 PHE A 552 13.351 0.123 -2.660 1.00 1.58 H new ATOM 0 HZ PHE A 552 12.663 -0.079 -5.041 1.00 1.31 H new ATOM 292 N VAL A 553 13.982 5.031 -1.637 1.00 0.67 N ATOM 293 CA VAL A 553 12.702 4.927 -0.926 1.00 0.74 C ATOM 294 C VAL A 553 11.982 6.280 -0.828 1.00 0.84 C ATOM 295 O VAL A 553 10.758 6.327 -0.833 1.00 0.96 O ATOM 296 CB VAL A 553 12.956 4.265 0.441 1.00 1.10 C ATOM 297 CG1 VAL A 553 13.507 5.221 1.492 1.00 1.96 C ATOM 298 CG2 VAL A 553 11.718 3.618 1.036 1.00 2.35 C ATOM 0 H VAL A 553 14.793 4.854 -1.044 1.00 0.67 H new ATOM 0 HA VAL A 553 12.015 4.296 -1.491 1.00 0.74 H new ATOM 0 HB VAL A 553 13.701 3.505 0.207 1.00 1.10 H new ATOM 0 HG11 VAL A 553 13.660 4.684 2.428 1.00 1.96 H new ATOM 0 HG12 VAL A 553 14.457 5.631 1.149 1.00 1.96 H new ATOM 0 HG13 VAL A 553 12.798 6.033 1.652 1.00 1.96 H new ATOM 0 HG21 VAL A 553 11.968 3.171 1.998 1.00 2.35 H new ATOM 0 HG22 VAL A 553 10.945 4.373 1.177 1.00 2.35 H new ATOM 0 HG23 VAL A 553 11.351 2.845 0.361 1.00 2.35 H new ATOM 308 N THR A 554 12.738 7.384 -0.816 1.00 0.87 N ATOM 309 CA THR A 554 12.230 8.763 -0.780 1.00 1.09 C ATOM 310 C THR A 554 11.816 9.278 -2.160 1.00 1.16 C ATOM 311 O THR A 554 10.823 10.006 -2.275 1.00 1.38 O ATOM 312 CB THR A 554 13.275 9.701 -0.165 1.00 1.21 C ATOM 313 OG1 THR A 554 13.539 9.319 1.167 1.00 1.24 O ATOM 314 CG2 THR A 554 12.803 11.146 -0.138 1.00 1.50 C ATOM 0 H THR A 554 13.757 7.342 -0.832 1.00 0.87 H new ATOM 0 HA THR A 554 11.335 8.751 -0.158 1.00 1.09 H new ATOM 0 HB THR A 554 14.167 9.626 -0.787 1.00 1.21 H new ATOM 0 HG1 THR A 554 14.445 8.949 1.228 1.00 1.24 H new ATOM 0 HG21 THR A 554 13.576 11.773 0.306 1.00 1.50 H new ATOM 0 HG22 THR A 554 12.603 11.482 -1.155 1.00 1.50 H new ATOM 0 HG23 THR A 554 11.891 11.220 0.455 1.00 1.50 H new ATOM 322 N ALA A 555 12.526 8.898 -3.229 1.00 1.05 N ATOM 323 CA ALA A 555 12.204 9.351 -4.582 1.00 1.26 C ATOM 324 C ALA A 555 10.864 8.760 -5.053 1.00 1.28 C ATOM 325 O ALA A 555 10.121 9.382 -5.815 1.00 1.71 O ATOM 326 CB ALA A 555 13.348 8.958 -5.526 1.00 1.28 C ATOM 0 H ALA A 555 13.331 8.274 -3.179 1.00 1.05 H new ATOM 0 HA ALA A 555 12.096 10.436 -4.586 1.00 1.26 H new ATOM 0 HB1 ALA A 555 13.116 9.292 -6.537 1.00 1.28 H new ATOM 0 HB2 ALA A 555 14.273 9.428 -5.192 1.00 1.28 H new ATOM 0 HB3 ALA A 555 13.469 7.875 -5.520 1.00 1.28 H new ATOM 332 N MET A 556 10.508 7.592 -4.509 1.00 0.96 N ATOM 333 CA MET A 556 9.236 6.910 -4.758 1.00 0.98 C ATOM 334 C MET A 556 8.025 7.740 -4.294 1.00 1.17 C ATOM 335 O MET A 556 6.947 7.667 -4.883 1.00 1.21 O ATOM 336 CB MET A 556 9.311 5.564 -4.027 1.00 0.95 C ATOM 337 CG MET A 556 8.366 4.511 -4.610 1.00 0.72 C ATOM 338 SD MET A 556 8.527 2.863 -3.861 1.00 0.81 S ATOM 339 CE MET A 556 10.312 2.575 -4.024 1.00 0.73 C ATOM 0 H MET A 556 11.114 7.082 -3.866 1.00 0.96 H new ATOM 0 HA MET A 556 9.088 6.767 -5.828 1.00 0.98 H new ATOM 0 HB2 MET A 556 10.334 5.190 -4.071 1.00 0.95 H new ATOM 0 HB3 MET A 556 9.072 5.715 -2.974 1.00 0.95 H new ATOM 0 HG2 MET A 556 7.339 4.854 -4.487 1.00 0.72 H new ATOM 0 HG3 MET A 556 8.549 4.429 -5.681 1.00 0.72 H new ATOM 0 HE1 MET A 556 10.538 1.539 -3.773 1.00 0.73 H new ATOM 0 HE2 MET A 556 10.621 2.776 -5.050 1.00 0.73 H new ATOM 0 HE3 MET A 556 10.851 3.238 -3.347 1.00 0.73 H new ATOM 349 N LEU A 557 8.223 8.587 -3.279 1.00 1.34 N ATOM 350 CA LEU A 557 7.180 9.388 -2.628 1.00 1.54 C ATOM 351 C LEU A 557 6.792 10.632 -3.441 1.00 1.69 C ATOM 352 O LEU A 557 5.737 11.221 -3.204 1.00 1.82 O ATOM 353 CB LEU A 557 7.644 9.773 -1.206 1.00 1.64 C ATOM 354 CG LEU A 557 8.300 8.628 -0.408 1.00 1.50 C ATOM 355 CD1 LEU A 557 8.738 9.088 0.977 1.00 1.71 C ATOM 356 CD2 LEU A 557 7.381 7.415 -0.255 1.00 1.47 C ATOM 0 H LEU A 557 9.146 8.740 -2.873 1.00 1.34 H new ATOM 0 HA LEU A 557 6.279 8.778 -2.566 1.00 1.54 H new ATOM 0 HB2 LEU A 557 8.353 10.597 -1.281 1.00 1.64 H new ATOM 0 HB3 LEU A 557 6.785 10.142 -0.646 1.00 1.64 H new ATOM 0 HG LEU A 557 9.173 8.331 -0.989 1.00 1.50 H new ATOM 0 HD11 LEU A 557 9.196 8.254 1.509 1.00 1.71 H new ATOM 0 HD12 LEU A 557 9.462 9.897 0.880 1.00 1.71 H new ATOM 0 HD13 LEU A 557 7.871 9.442 1.534 1.00 1.71 H new ATOM 0 HD21 LEU A 557 7.894 6.640 0.315 1.00 1.47 H new ATOM 0 HD22 LEU A 557 6.473 7.711 0.270 1.00 1.47 H new ATOM 0 HD23 LEU A 557 7.121 7.029 -1.241 1.00 1.47 H new ATOM 368 N THR A 558 7.607 11.026 -4.426 1.00 1.67 N ATOM 369 CA THR A 558 7.394 12.232 -5.252 1.00 1.77 C ATOM 370 C THR A 558 6.039 12.238 -5.965 1.00 1.90 C ATOM 371 O THR A 558 5.362 13.269 -6.000 1.00 2.30 O ATOM 372 CB THR A 558 8.497 12.384 -6.314 1.00 1.71 C ATOM 373 OG1 THR A 558 8.626 11.209 -7.093 1.00 2.00 O ATOM 374 CG2 THR A 558 9.853 12.686 -5.687 1.00 2.38 C ATOM 0 H THR A 558 8.449 10.510 -4.680 1.00 1.67 H new ATOM 0 HA THR A 558 7.422 13.068 -4.553 1.00 1.77 H new ATOM 0 HB THR A 558 8.195 13.220 -6.945 1.00 1.71 H new ATOM 0 HG1 THR A 558 9.135 10.538 -6.591 1.00 2.00 H new ATOM 0 HG21 THR A 558 10.603 12.786 -6.472 1.00 2.38 H new ATOM 0 HG22 THR A 558 9.794 13.616 -5.122 1.00 2.38 H new ATOM 0 HG23 THR A 558 10.134 11.872 -5.018 1.00 2.38 H new ATOM 382 N LYS A 559 5.609 11.079 -6.482 1.00 1.65 N ATOM 383 CA LYS A 559 4.400 10.908 -7.297 1.00 1.63 C ATOM 384 C LYS A 559 3.176 10.414 -6.515 1.00 1.65 C ATOM 385 O LYS A 559 2.141 10.175 -7.130 1.00 1.71 O ATOM 386 CB LYS A 559 4.735 9.975 -8.476 1.00 1.88 C ATOM 387 CG LYS A 559 5.063 8.528 -8.034 1.00 2.36 C ATOM 388 CD LYS A 559 4.296 7.463 -8.830 1.00 1.98 C ATOM 389 CE LYS A 559 2.782 7.553 -8.597 1.00 2.00 C ATOM 390 NZ LYS A 559 2.033 6.612 -9.459 1.00 2.65 N ATOM 0 H LYS A 559 6.112 10.203 -6.339 1.00 1.65 H new ATOM 0 HA LYS A 559 4.105 11.892 -7.660 1.00 1.63 H new ATOM 0 HB2 LYS A 559 3.892 9.955 -9.166 1.00 1.88 H new ATOM 0 HB3 LYS A 559 5.585 10.382 -9.023 1.00 1.88 H new ATOM 0 HG2 LYS A 559 6.133 8.355 -8.146 1.00 2.36 H new ATOM 0 HG3 LYS A 559 4.831 8.417 -6.975 1.00 2.36 H new ATOM 0 HD2 LYS A 559 4.507 7.582 -9.893 1.00 1.98 H new ATOM 0 HD3 LYS A 559 4.649 6.472 -8.544 1.00 1.98 H new ATOM 0 HE2 LYS A 559 2.563 7.340 -7.551 1.00 2.00 H new ATOM 0 HE3 LYS A 559 2.445 8.571 -8.792 1.00 2.00 H new ATOM 0 HZ1 LYS A 559 1.032 6.605 -9.178 1.00 2.65 H new ATOM 0 HZ2 LYS A 559 2.112 6.912 -10.452 1.00 2.65 H new ATOM 0 HZ3 LYS A 559 2.428 5.656 -9.354 1.00 2.65 H new ATOM 404 N LEU A 560 3.306 10.186 -5.199 1.00 1.64 N ATOM 405 CA LEU A 560 2.354 9.388 -4.413 1.00 1.62 C ATOM 406 C LEU A 560 0.912 9.872 -4.604 1.00 1.45 C ATOM 407 O LEU A 560 0.615 11.053 -4.382 1.00 1.79 O ATOM 408 CB LEU A 560 2.729 9.392 -2.915 1.00 1.84 C ATOM 409 CG LEU A 560 3.277 8.056 -2.384 1.00 1.56 C ATOM 410 CD1 LEU A 560 3.658 8.231 -0.917 1.00 3.16 C ATOM 411 CD2 LEU A 560 2.246 6.928 -2.477 1.00 1.67 C ATOM 0 H LEU A 560 4.081 10.553 -4.647 1.00 1.64 H new ATOM 0 HA LEU A 560 2.414 8.364 -4.782 1.00 1.62 H new ATOM 0 HB2 LEU A 560 3.475 10.168 -2.744 1.00 1.84 H new ATOM 0 HB3 LEU A 560 1.847 9.663 -2.335 1.00 1.84 H new ATOM 0 HG LEU A 560 4.137 7.784 -2.997 1.00 1.56 H new ATOM 0 HD11 LEU A 560 4.048 7.291 -0.528 1.00 3.16 H new ATOM 0 HD12 LEU A 560 4.421 9.005 -0.829 1.00 3.16 H new ATOM 0 HD13 LEU A 560 2.777 8.523 -0.345 1.00 3.16 H new ATOM 0 HD21 LEU A 560 2.680 6.006 -2.090 1.00 1.67 H new ATOM 0 HD22 LEU A 560 1.366 7.190 -1.889 1.00 1.67 H new ATOM 0 HD23 LEU A 560 1.957 6.784 -3.518 1.00 1.67 H new ATOM 423 N LYS A 561 0.037 8.956 -5.024 1.00 1.08 N ATOM 424 CA LYS A 561 -1.345 9.250 -5.425 1.00 1.12 C ATOM 425 C LYS A 561 -2.312 8.967 -4.287 1.00 1.13 C ATOM 426 O LYS A 561 -2.060 8.081 -3.471 1.00 1.01 O ATOM 427 CB LYS A 561 -1.699 8.458 -6.696 1.00 1.48 C ATOM 428 CG LYS A 561 -2.701 9.181 -7.614 1.00 1.52 C ATOM 429 CD LYS A 561 -2.035 10.078 -8.672 1.00 1.59 C ATOM 430 CE LYS A 561 -1.025 11.081 -8.100 1.00 1.55 C ATOM 431 NZ LYS A 561 -0.442 11.937 -9.156 1.00 1.88 N ATOM 0 H LYS A 561 0.272 7.966 -5.097 1.00 1.08 H new ATOM 0 HA LYS A 561 -1.433 10.312 -5.656 1.00 1.12 H new ATOM 0 HB2 LYS A 561 -0.785 8.258 -7.256 1.00 1.48 H new ATOM 0 HB3 LYS A 561 -2.114 7.492 -6.408 1.00 1.48 H new ATOM 0 HG2 LYS A 561 -3.320 8.438 -8.118 1.00 1.52 H new ATOM 0 HG3 LYS A 561 -3.367 9.789 -7.002 1.00 1.52 H new ATOM 0 HD2 LYS A 561 -1.529 9.446 -9.402 1.00 1.59 H new ATOM 0 HD3 LYS A 561 -2.810 10.626 -9.208 1.00 1.59 H new ATOM 0 HE2 LYS A 561 -1.516 11.707 -7.355 1.00 1.55 H new ATOM 0 HE3 LYS A 561 -0.228 10.542 -7.588 1.00 1.55 H new ATOM 0 HZ1 LYS A 561 0.235 12.601 -8.730 1.00 1.88 H new ATOM 0 HZ2 LYS A 561 0.049 11.342 -9.854 1.00 1.88 H new ATOM 0 HZ3 LYS A 561 -1.200 12.471 -9.628 1.00 1.88 H new ATOM 445 N PHE A 562 -3.399 9.731 -4.224 1.00 1.45 N ATOM 446 CA PHE A 562 -4.338 9.657 -3.118 1.00 1.52 C ATOM 447 C PHE A 562 -5.811 9.719 -3.540 1.00 1.50 C ATOM 448 O PHE A 562 -6.188 10.360 -4.528 1.00 1.49 O ATOM 449 CB PHE A 562 -3.926 10.688 -2.057 1.00 1.61 C ATOM 450 CG PHE A 562 -4.672 12.002 -2.063 1.00 1.55 C ATOM 451 CD1 PHE A 562 -5.883 12.112 -1.359 1.00 2.12 C ATOM 452 CD2 PHE A 562 -4.144 13.118 -2.734 1.00 2.33 C ATOM 453 CE1 PHE A 562 -6.564 13.344 -1.332 1.00 2.09 C ATOM 454 CE2 PHE A 562 -4.818 14.352 -2.696 1.00 2.71 C ATOM 455 CZ PHE A 562 -6.029 14.465 -1.991 1.00 2.05 C ATOM 0 H PHE A 562 -3.650 10.415 -4.938 1.00 1.45 H new ATOM 0 HA PHE A 562 -4.278 8.666 -2.669 1.00 1.52 H new ATOM 0 HB2 PHE A 562 -4.047 10.232 -1.074 1.00 1.61 H new ATOM 0 HB3 PHE A 562 -2.864 10.899 -2.182 1.00 1.61 H new ATOM 0 HD1 PHE A 562 -6.289 11.256 -0.841 1.00 2.12 H new ATOM 0 HD2 PHE A 562 -3.217 13.028 -3.281 1.00 2.33 H new ATOM 0 HE1 PHE A 562 -7.502 13.428 -0.803 1.00 2.09 H new ATOM 0 HE2 PHE A 562 -4.406 15.210 -3.207 1.00 2.71 H new ATOM 0 HZ PHE A 562 -6.548 15.412 -1.956 1.00 2.05 H new ATOM 465 N GLU A 563 -6.648 9.045 -2.756 1.00 1.51 N ATOM 466 CA GLU A 563 -8.104 8.944 -2.906 1.00 1.49 C ATOM 467 C GLU A 563 -8.793 9.096 -1.545 1.00 1.37 C ATOM 468 O GLU A 563 -8.267 8.683 -0.517 1.00 1.43 O ATOM 469 CB GLU A 563 -8.481 7.583 -3.523 1.00 1.54 C ATOM 470 CG GLU A 563 -8.218 7.513 -5.031 1.00 2.04 C ATOM 471 CD GLU A 563 -8.492 6.113 -5.592 1.00 2.50 C ATOM 472 OE1 GLU A 563 -9.629 5.821 -6.035 1.00 2.94 O ATOM 473 OE2 GLU A 563 -7.555 5.280 -5.650 1.00 3.48 O ATOM 0 H GLU A 563 -6.311 8.521 -1.948 1.00 1.51 H new ATOM 0 HA GLU A 563 -8.438 9.745 -3.566 1.00 1.49 H new ATOM 0 HB2 GLU A 563 -7.915 6.796 -3.025 1.00 1.54 H new ATOM 0 HB3 GLU A 563 -9.536 7.385 -3.335 1.00 1.54 H new ATOM 0 HG2 GLU A 563 -8.848 8.240 -5.544 1.00 2.04 H new ATOM 0 HG3 GLU A 563 -7.183 7.789 -5.233 1.00 2.04 H new ATOM 480 N VAL A 564 -9.993 9.665 -1.523 1.00 1.26 N ATOM 481 CA VAL A 564 -10.792 9.855 -0.304 1.00 1.17 C ATOM 482 C VAL A 564 -12.071 9.039 -0.375 1.00 1.13 C ATOM 483 O VAL A 564 -12.719 8.949 -1.424 1.00 1.19 O ATOM 484 CB VAL A 564 -11.100 11.338 -0.028 1.00 1.23 C ATOM 485 CG1 VAL A 564 -11.724 11.567 1.348 1.00 1.17 C ATOM 486 CG2 VAL A 564 -9.823 12.180 -0.093 1.00 1.34 C ATOM 0 H VAL A 564 -10.452 10.016 -2.364 1.00 1.26 H new ATOM 0 HA VAL A 564 -10.193 9.498 0.534 1.00 1.17 H new ATOM 0 HB VAL A 564 -11.811 11.637 -0.799 1.00 1.23 H new ATOM 0 HG11 VAL A 564 -11.919 12.630 1.487 1.00 1.17 H new ATOM 0 HG12 VAL A 564 -12.660 11.014 1.419 1.00 1.17 H new ATOM 0 HG13 VAL A 564 -11.038 11.220 2.121 1.00 1.17 H new ATOM 0 HG21 VAL A 564 -10.065 13.224 0.105 1.00 1.34 H new ATOM 0 HG22 VAL A 564 -9.114 11.824 0.654 1.00 1.34 H new ATOM 0 HG23 VAL A 564 -9.379 12.092 -1.085 1.00 1.34 H new ATOM 496 N PHE A 565 -12.450 8.477 0.767 1.00 1.05 N ATOM 497 CA PHE A 565 -13.706 7.762 0.954 1.00 1.04 C ATOM 498 C PHE A 565 -14.521 8.384 2.092 1.00 1.11 C ATOM 499 O PHE A 565 -13.965 8.808 3.106 1.00 1.12 O ATOM 500 CB PHE A 565 -13.433 6.265 1.130 1.00 0.91 C ATOM 501 CG PHE A 565 -12.788 5.643 -0.098 1.00 0.87 C ATOM 502 CD1 PHE A 565 -11.396 5.742 -0.296 1.00 1.59 C ATOM 503 CD2 PHE A 565 -13.583 5.015 -1.074 1.00 2.40 C ATOM 504 CE1 PHE A 565 -10.805 5.221 -1.460 1.00 1.64 C ATOM 505 CE2 PHE A 565 -12.986 4.469 -2.226 1.00 2.36 C ATOM 506 CZ PHE A 565 -11.598 4.576 -2.421 1.00 0.85 C ATOM 0 H PHE A 565 -11.877 8.507 1.610 1.00 1.05 H new ATOM 0 HA PHE A 565 -14.326 7.860 0.063 1.00 1.04 H new ATOM 0 HB2 PHE A 565 -12.783 6.116 1.992 1.00 0.91 H new ATOM 0 HB3 PHE A 565 -14.370 5.751 1.344 1.00 0.91 H new ATOM 0 HD1 PHE A 565 -10.780 6.221 0.451 1.00 1.59 H new ATOM 0 HD2 PHE A 565 -14.653 4.952 -0.939 1.00 2.40 H new ATOM 0 HE1 PHE A 565 -9.740 5.317 -1.615 1.00 1.64 H new ATOM 0 HE2 PHE A 565 -13.596 3.967 -2.962 1.00 2.36 H new ATOM 0 HZ PHE A 565 -11.143 4.162 -3.309 1.00 0.85 H new ATOM 516 N GLN A 566 -15.833 8.484 1.886 1.00 1.21 N ATOM 517 CA GLN A 566 -16.772 9.209 2.750 1.00 1.36 C ATOM 518 C GLN A 566 -17.513 8.254 3.715 1.00 1.42 C ATOM 519 O GLN A 566 -17.506 7.038 3.492 1.00 1.34 O ATOM 520 CB GLN A 566 -17.748 10.002 1.855 1.00 1.55 C ATOM 521 CG GLN A 566 -17.143 10.839 0.744 1.00 1.97 C ATOM 522 CD GLN A 566 -16.101 11.782 1.266 1.00 1.29 C ATOM 523 OE1 GLN A 566 -16.173 12.328 2.359 1.00 2.20 O ATOM 524 NE2 GLN A 566 -15.097 12.016 0.480 1.00 1.61 N ATOM 0 H GLN A 566 -16.291 8.048 1.085 1.00 1.21 H new ATOM 0 HA GLN A 566 -16.223 9.905 3.384 1.00 1.36 H new ATOM 0 HB2 GLN A 566 -18.444 9.295 1.405 1.00 1.55 H new ATOM 0 HB3 GLN A 566 -18.333 10.662 2.495 1.00 1.55 H new ATOM 0 HG2 GLN A 566 -16.698 10.183 -0.005 1.00 1.97 H new ATOM 0 HG3 GLN A 566 -17.930 11.405 0.245 1.00 1.97 H new ATOM 0 HE21 GLN A 566 -15.044 11.557 -0.429 1.00 1.61 H new ATOM 0 HE22 GLN A 566 -14.360 12.659 0.771 1.00 1.61 H new ATOM 533 N PRO A 567 -18.172 8.753 4.783 1.00 1.63 N ATOM 534 CA PRO A 567 -18.751 7.896 5.819 1.00 1.76 C ATOM 535 C PRO A 567 -19.736 6.852 5.265 1.00 1.71 C ATOM 536 O PRO A 567 -20.717 7.187 4.591 1.00 1.79 O ATOM 537 CB PRO A 567 -19.422 8.835 6.830 1.00 2.09 C ATOM 538 CG PRO A 567 -18.743 10.187 6.608 1.00 2.02 C ATOM 539 CD PRO A 567 -18.344 10.158 5.136 1.00 1.81 C ATOM 0 HA PRO A 567 -17.968 7.300 6.288 1.00 1.76 H new ATOM 0 HB2 PRO A 567 -20.497 8.898 6.660 1.00 2.09 H new ATOM 0 HB3 PRO A 567 -19.281 8.483 7.852 1.00 2.09 H new ATOM 0 HG2 PRO A 567 -19.420 11.014 6.823 1.00 2.02 H new ATOM 0 HG3 PRO A 567 -17.875 10.309 7.255 1.00 2.02 H new ATOM 0 HD2 PRO A 567 -19.111 10.623 4.517 1.00 1.81 H new ATOM 0 HD3 PRO A 567 -17.421 10.715 4.973 1.00 1.81 H new ATOM 547 N GLY A 568 -19.477 5.574 5.555 1.00 1.61 N ATOM 548 CA GLY A 568 -20.307 4.435 5.177 1.00 1.58 C ATOM 549 C GLY A 568 -19.937 3.833 3.824 1.00 1.51 C ATOM 550 O GLY A 568 -20.477 2.786 3.471 1.00 1.56 O ATOM 0 H GLY A 568 -18.648 5.297 6.081 1.00 1.61 H new ATOM 0 HA2 GLY A 568 -20.223 3.665 5.943 1.00 1.58 H new ATOM 0 HA3 GLY A 568 -21.351 4.748 5.153 1.00 1.58 H new ATOM 554 N ASP A 569 -19.024 4.446 3.064 1.00 1.46 N ATOM 555 CA ASP A 569 -18.718 4.019 1.709 1.00 1.39 C ATOM 556 C ASP A 569 -17.641 2.924 1.682 1.00 1.31 C ATOM 557 O ASP A 569 -16.625 3.009 2.378 1.00 1.30 O ATOM 558 CB ASP A 569 -18.370 5.232 0.829 1.00 1.43 C ATOM 559 CG ASP A 569 -18.634 4.995 -0.663 1.00 1.51 C ATOM 560 OD1 ASP A 569 -19.789 4.691 -1.045 1.00 2.78 O ATOM 561 OD2 ASP A 569 -17.730 5.226 -1.498 1.00 1.75 O ATOM 0 H ASP A 569 -18.481 5.251 3.377 1.00 1.46 H new ATOM 0 HA ASP A 569 -19.610 3.559 1.283 1.00 1.39 H new ATOM 0 HB2 ASP A 569 -18.951 6.092 1.162 1.00 1.43 H new ATOM 0 HB3 ASP A 569 -17.319 5.484 0.969 1.00 1.43 H new ATOM 566 N TYR A 570 -17.871 1.887 0.879 1.00 1.29 N ATOM 567 CA TYR A 570 -16.915 0.795 0.654 1.00 1.24 C ATOM 568 C TYR A 570 -15.636 1.316 -0.023 1.00 1.11 C ATOM 569 O TYR A 570 -15.705 2.011 -1.043 1.00 1.15 O ATOM 570 CB TYR A 570 -17.563 -0.336 -0.159 1.00 1.34 C ATOM 571 CG TYR A 570 -18.557 -1.187 0.616 1.00 1.57 C ATOM 572 CD1 TYR A 570 -18.087 -2.180 1.497 1.00 1.67 C ATOM 573 CD2 TYR A 570 -19.945 -1.035 0.426 1.00 3.03 C ATOM 574 CE1 TYR A 570 -18.998 -2.984 2.210 1.00 1.84 C ATOM 575 CE2 TYR A 570 -20.860 -1.834 1.138 1.00 3.28 C ATOM 576 CZ TYR A 570 -20.389 -2.806 2.042 1.00 2.15 C ATOM 577 OH TYR A 570 -21.261 -3.569 2.755 1.00 2.45 O ATOM 0 H TYR A 570 -18.740 1.776 0.356 1.00 1.29 H new ATOM 0 HA TYR A 570 -16.629 0.384 1.622 1.00 1.24 H new ATOM 0 HB2 TYR A 570 -18.071 0.099 -1.020 1.00 1.34 H new ATOM 0 HB3 TYR A 570 -16.776 -0.983 -0.547 1.00 1.34 H new ATOM 0 HD1 TYR A 570 -17.025 -2.326 1.626 1.00 1.67 H new ATOM 0 HD2 TYR A 570 -20.311 -0.298 -0.273 1.00 3.03 H new ATOM 0 HE1 TYR A 570 -18.631 -3.740 2.888 1.00 1.84 H new ATOM 0 HE2 TYR A 570 -21.922 -1.702 0.991 1.00 3.28 H new ATOM 0 HH TYR A 570 -22.180 -3.320 2.522 1.00 2.45 H new ATOM 587 N ILE A 571 -14.469 0.978 0.540 1.00 1.05 N ATOM 588 CA ILE A 571 -13.177 1.589 0.153 1.00 0.97 C ATOM 589 C ILE A 571 -12.367 0.771 -0.855 1.00 0.93 C ATOM 590 O ILE A 571 -11.425 1.277 -1.458 1.00 0.96 O ATOM 591 CB ILE A 571 -12.312 1.926 1.390 1.00 1.06 C ATOM 592 CG1 ILE A 571 -11.737 0.716 2.147 1.00 0.98 C ATOM 593 CG2 ILE A 571 -13.097 2.760 2.405 1.00 1.26 C ATOM 594 CD1 ILE A 571 -10.328 0.387 1.663 1.00 1.25 C ATOM 0 H ILE A 571 -14.387 0.276 1.275 1.00 1.05 H new ATOM 0 HA ILE A 571 -13.451 2.513 -0.357 1.00 0.97 H new ATOM 0 HB ILE A 571 -11.474 2.477 0.964 1.00 1.06 H new ATOM 0 HG12 ILE A 571 -11.718 0.927 3.216 1.00 0.98 H new ATOM 0 HG13 ILE A 571 -12.385 -0.148 2.004 1.00 0.98 H new ATOM 0 HG21 ILE A 571 -12.462 2.981 3.263 1.00 1.26 H new ATOM 0 HG22 ILE A 571 -13.416 3.693 1.940 1.00 1.26 H new ATOM 0 HG23 ILE A 571 -13.973 2.201 2.736 1.00 1.26 H new ATOM 0 HD11 ILE A 571 -9.945 -0.472 2.214 1.00 1.25 H new ATOM 0 HD12 ILE A 571 -10.354 0.153 0.599 1.00 1.25 H new ATOM 0 HD13 ILE A 571 -9.676 1.245 1.830 1.00 1.25 H new ATOM 606 N ILE A 572 -12.701 -0.508 -1.010 1.00 1.04 N ATOM 607 CA ILE A 572 -11.841 -1.497 -1.664 1.00 0.98 C ATOM 608 C ILE A 572 -12.219 -1.641 -3.135 1.00 1.48 C ATOM 609 O ILE A 572 -13.384 -1.481 -3.520 1.00 2.52 O ATOM 610 CB ILE A 572 -11.913 -2.834 -0.888 1.00 1.86 C ATOM 611 CG1 ILE A 572 -11.116 -2.810 0.416 1.00 2.69 C ATOM 612 CG2 ILE A 572 -11.616 -4.092 -1.720 1.00 2.07 C ATOM 613 CD1 ILE A 572 -9.611 -2.594 0.405 1.00 1.97 C ATOM 0 H ILE A 572 -13.587 -0.893 -0.682 1.00 1.04 H new ATOM 0 HA ILE A 572 -10.803 -1.164 -1.645 1.00 0.98 H new ATOM 0 HB ILE A 572 -12.967 -2.919 -0.625 1.00 1.86 H new ATOM 0 HG12 ILE A 572 -11.547 -2.028 1.040 1.00 2.69 H new ATOM 0 HG13 ILE A 572 -11.300 -3.758 0.921 1.00 2.69 H new ATOM 0 HG21 ILE A 572 -11.692 -4.975 -1.085 1.00 2.07 H new ATOM 0 HG22 ILE A 572 -12.336 -4.168 -2.535 1.00 2.07 H new ATOM 0 HG23 ILE A 572 -10.609 -4.027 -2.131 1.00 2.07 H new ATOM 0 HD11 ILE A 572 -9.234 -2.611 1.427 1.00 1.97 H new ATOM 0 HD12 ILE A 572 -9.134 -3.387 -0.171 1.00 1.97 H new ATOM 0 HD13 ILE A 572 -9.385 -1.629 -0.050 1.00 1.97 H new ATOM 625 N ARG A 573 -11.212 -1.995 -3.936 1.00 1.57 N ATOM 626 CA ARG A 573 -11.311 -2.228 -5.372 1.00 2.61 C ATOM 627 C ARG A 573 -10.548 -3.493 -5.784 1.00 2.01 C ATOM 628 O ARG A 573 -9.733 -3.988 -5.006 1.00 1.92 O ATOM 629 CB ARG A 573 -10.832 -0.926 -6.044 1.00 4.13 C ATOM 630 CG ARG A 573 -10.926 -0.859 -7.573 1.00 5.60 C ATOM 631 CD ARG A 573 -10.780 0.587 -8.070 1.00 7.36 C ATOM 632 NE ARG A 573 -9.506 1.222 -7.671 1.00 8.91 N ATOM 633 CZ ARG A 573 -9.327 2.405 -7.104 1.00 10.35 C ATOM 634 NH1 ARG A 573 -10.297 3.184 -6.713 1.00 10.64 N ATOM 635 NH2 ARG A 573 -8.119 2.840 -6.916 1.00 11.97 N ATOM 0 H ARG A 573 -10.265 -2.132 -3.583 1.00 1.57 H new ATOM 0 HA ARG A 573 -12.330 -2.437 -5.698 1.00 2.61 H new ATOM 0 HB2 ARG A 573 -11.410 -0.099 -5.632 1.00 4.13 H new ATOM 0 HB3 ARG A 573 -9.793 -0.760 -5.760 1.00 4.13 H new ATOM 0 HG2 ARG A 573 -10.148 -1.480 -8.016 1.00 5.60 H new ATOM 0 HG3 ARG A 573 -11.883 -1.265 -7.900 1.00 5.60 H new ATOM 0 HD2 ARG A 573 -10.858 0.599 -9.157 1.00 7.36 H new ATOM 0 HD3 ARG A 573 -11.609 1.181 -7.685 1.00 7.36 H new ATOM 0 HE ARG A 573 -8.660 0.682 -7.855 1.00 8.91 H new ATOM 0 HH11 ARG A 573 -11.267 2.893 -6.837 1.00 10.64 H new ATOM 0 HH12 ARG A 573 -10.086 4.084 -6.283 1.00 10.64 H new ATOM 0 HH21 ARG A 573 -7.322 2.272 -7.204 1.00 11.97 H new ATOM 0 HH22 ARG A 573 -7.967 3.750 -6.480 1.00 11.97 H new ATOM 649 N GLU A 574 -10.845 -4.015 -6.978 1.00 2.81 N ATOM 650 CA GLU A 574 -10.384 -5.317 -7.497 1.00 2.26 C ATOM 651 C GLU A 574 -8.925 -5.656 -7.162 1.00 2.94 C ATOM 652 O GLU A 574 -8.028 -4.825 -7.335 1.00 4.87 O ATOM 653 CB GLU A 574 -10.690 -5.419 -9.003 1.00 4.29 C ATOM 654 CG GLU A 574 -10.514 -6.844 -9.558 1.00 4.35 C ATOM 655 CD GLU A 574 -10.920 -6.923 -11.035 1.00 5.73 C ATOM 656 OE1 GLU A 574 -10.078 -6.581 -11.897 1.00 6.37 O ATOM 657 OE2 GLU A 574 -12.075 -7.310 -11.354 1.00 6.68 O ATOM 0 H GLU A 574 -11.441 -3.523 -7.644 1.00 2.81 H new ATOM 0 HA GLU A 574 -10.951 -6.085 -6.971 1.00 2.26 H new ATOM 0 HB2 GLU A 574 -11.713 -5.089 -9.183 1.00 4.29 H new ATOM 0 HB3 GLU A 574 -10.035 -4.739 -9.548 1.00 4.29 H new ATOM 0 HG2 GLU A 574 -9.475 -7.153 -9.448 1.00 4.35 H new ATOM 0 HG3 GLU A 574 -11.117 -7.540 -8.975 1.00 4.35 H new ATOM 664 N GLY A 575 -8.692 -6.894 -6.708 1.00 2.66 N ATOM 665 CA GLY A 575 -7.390 -7.417 -6.326 1.00 4.70 C ATOM 666 C GLY A 575 -7.041 -8.654 -7.135 1.00 4.50 C ATOM 667 O GLY A 575 -6.545 -9.630 -6.574 1.00 6.18 O ATOM 0 H GLY A 575 -9.439 -7.579 -6.595 1.00 2.66 H new ATOM 0 HA2 GLY A 575 -6.628 -6.652 -6.478 1.00 4.70 H new ATOM 0 HA3 GLY A 575 -7.390 -7.661 -5.264 1.00 4.70 H new ATOM 671 N THR A 576 -7.336 -8.626 -8.439 1.00 2.75 N ATOM 672 CA THR A 576 -6.791 -9.609 -9.378 1.00 2.98 C ATOM 673 C THR A 576 -5.277 -9.448 -9.483 1.00 2.48 C ATOM 674 O THR A 576 -4.701 -8.435 -9.070 1.00 2.11 O ATOM 675 CB THR A 576 -7.483 -9.593 -10.749 1.00 3.36 C ATOM 676 OG1 THR A 576 -7.041 -10.698 -11.500 1.00 4.32 O ATOM 677 CG2 THR A 576 -7.204 -8.341 -11.573 1.00 3.09 C ATOM 0 H THR A 576 -7.949 -7.933 -8.867 1.00 2.75 H new ATOM 0 HA THR A 576 -7.004 -10.599 -8.975 1.00 2.98 H new ATOM 0 HB THR A 576 -8.553 -9.622 -10.544 1.00 3.36 H new ATOM 0 HG1 THR A 576 -7.480 -10.695 -12.376 1.00 4.32 H new ATOM 0 HG21 THR A 576 -7.729 -8.408 -12.526 1.00 3.09 H new ATOM 0 HG22 THR A 576 -7.551 -7.463 -11.029 1.00 3.09 H new ATOM 0 HG23 THR A 576 -6.133 -8.256 -11.754 1.00 3.09 H new ATOM 685 N ILE A 577 -4.618 -10.474 -10.011 1.00 2.94 N ATOM 686 CA ILE A 577 -3.166 -10.601 -9.952 1.00 2.88 C ATOM 687 C ILE A 577 -2.523 -9.393 -10.648 1.00 2.64 C ATOM 688 O ILE A 577 -2.769 -9.142 -11.830 1.00 2.88 O ATOM 689 CB ILE A 577 -2.693 -11.938 -10.571 1.00 3.29 C ATOM 690 CG1 ILE A 577 -2.963 -13.146 -9.646 1.00 3.70 C ATOM 691 CG2 ILE A 577 -1.184 -11.894 -10.880 1.00 3.24 C ATOM 692 CD1 ILE A 577 -4.443 -13.457 -9.396 1.00 4.09 C ATOM 0 H ILE A 577 -5.079 -11.245 -10.495 1.00 2.94 H new ATOM 0 HA ILE A 577 -2.850 -10.612 -8.909 1.00 2.88 H new ATOM 0 HB ILE A 577 -3.267 -12.065 -11.489 1.00 3.29 H new ATOM 0 HG12 ILE A 577 -2.491 -14.028 -10.079 1.00 3.70 H new ATOM 0 HG13 ILE A 577 -2.479 -12.964 -8.686 1.00 3.70 H new ATOM 0 HG21 ILE A 577 -0.874 -12.844 -11.314 1.00 3.24 H new ATOM 0 HG22 ILE A 577 -0.980 -11.089 -11.586 1.00 3.24 H new ATOM 0 HG23 ILE A 577 -0.629 -11.718 -9.959 1.00 3.24 H new ATOM 0 HD11 ILE A 577 -4.527 -14.320 -8.736 1.00 4.09 H new ATOM 0 HD12 ILE A 577 -4.922 -12.596 -8.930 1.00 4.09 H new ATOM 0 HD13 ILE A 577 -4.934 -13.676 -10.344 1.00 4.09 H new ATOM 704 N GLY A 578 -1.698 -8.646 -9.913 1.00 2.37 N ATOM 705 CA GLY A 578 -0.959 -7.506 -10.441 1.00 2.26 C ATOM 706 C GLY A 578 -1.646 -6.155 -10.217 1.00 1.90 C ATOM 707 O GLY A 578 -1.048 -5.134 -10.570 1.00 2.19 O ATOM 0 H GLY A 578 -1.524 -8.820 -8.923 1.00 2.37 H new ATOM 0 HA2 GLY A 578 0.027 -7.481 -9.978 1.00 2.26 H new ATOM 0 HA3 GLY A 578 -0.806 -7.650 -11.510 1.00 2.26 H new ATOM 711 N LYS A 579 -2.841 -6.119 -9.597 1.00 1.57 N ATOM 712 CA LYS A 579 -3.440 -4.873 -9.086 1.00 1.42 C ATOM 713 C LYS A 579 -2.734 -4.383 -7.812 1.00 1.48 C ATOM 714 O LYS A 579 -2.280 -5.185 -6.991 1.00 2.03 O ATOM 715 CB LYS A 579 -4.975 -4.972 -8.934 1.00 1.68 C ATOM 716 CG LYS A 579 -5.692 -4.950 -10.300 1.00 3.27 C ATOM 717 CD LYS A 579 -7.200 -4.631 -10.208 1.00 3.49 C ATOM 718 CE LYS A 579 -7.766 -4.133 -11.547 1.00 5.19 C ATOM 719 NZ LYS A 579 -7.817 -5.178 -12.591 1.00 6.34 N ATOM 0 H LYS A 579 -3.414 -6.947 -9.437 1.00 1.57 H new ATOM 0 HA LYS A 579 -3.274 -4.105 -9.841 1.00 1.42 H new ATOM 0 HB2 LYS A 579 -5.229 -5.891 -8.406 1.00 1.68 H new ATOM 0 HB3 LYS A 579 -5.333 -4.144 -8.323 1.00 1.68 H new ATOM 0 HG2 LYS A 579 -5.212 -4.209 -10.940 1.00 3.27 H new ATOM 0 HG3 LYS A 579 -5.564 -5.919 -10.783 1.00 3.27 H new ATOM 0 HD2 LYS A 579 -7.741 -5.524 -9.895 1.00 3.49 H new ATOM 0 HD3 LYS A 579 -7.364 -3.874 -9.441 1.00 3.49 H new ATOM 0 HE2 LYS A 579 -8.771 -3.743 -11.385 1.00 5.19 H new ATOM 0 HE3 LYS A 579 -7.156 -3.303 -11.904 1.00 5.19 H new ATOM 0 HZ1 LYS A 579 -7.842 -4.730 -13.529 1.00 6.34 H new ATOM 0 HZ2 LYS A 579 -6.974 -5.783 -12.518 1.00 6.34 H new ATOM 0 HZ3 LYS A 579 -8.671 -5.757 -12.461 1.00 6.34 H new ATOM 733 N LYS A 580 -2.640 -3.061 -7.637 1.00 1.32 N ATOM 734 CA LYS A 580 -1.628 -2.386 -6.789 1.00 1.51 C ATOM 735 C LYS A 580 -1.999 -2.268 -5.305 1.00 1.27 C ATOM 736 O LYS A 580 -2.972 -2.876 -4.858 1.00 1.34 O ATOM 737 CB LYS A 580 -1.252 -1.045 -7.439 1.00 1.86 C ATOM 738 CG LYS A 580 -2.363 0.017 -7.392 1.00 1.78 C ATOM 739 CD LYS A 580 -2.061 1.120 -8.413 1.00 2.20 C ATOM 740 CE LYS A 580 -3.277 2.032 -8.594 1.00 2.81 C ATOM 741 NZ LYS A 580 -3.206 2.760 -9.878 1.00 3.32 N ATOM 0 H LYS A 580 -3.278 -2.406 -8.089 1.00 1.32 H new ATOM 0 HA LYS A 580 -0.747 -3.027 -6.753 1.00 1.51 H new ATOM 0 HB2 LYS A 580 -0.367 -0.649 -6.941 1.00 1.86 H new ATOM 0 HB3 LYS A 580 -0.980 -1.223 -8.479 1.00 1.86 H new ATOM 0 HG2 LYS A 580 -3.328 -0.441 -7.610 1.00 1.78 H new ATOM 0 HG3 LYS A 580 -2.432 0.443 -6.391 1.00 1.78 H new ATOM 0 HD2 LYS A 580 -1.205 1.707 -8.080 1.00 2.20 H new ATOM 0 HD3 LYS A 580 -1.789 0.674 -9.369 1.00 2.20 H new ATOM 0 HE2 LYS A 580 -4.190 1.438 -8.559 1.00 2.81 H new ATOM 0 HE3 LYS A 580 -3.328 2.744 -7.770 1.00 2.81 H new ATOM 0 HZ1 LYS A 580 -4.041 3.371 -9.977 1.00 3.32 H new ATOM 0 HZ2 LYS A 580 -2.345 3.344 -9.899 1.00 3.32 H new ATOM 0 HZ3 LYS A 580 -3.181 2.078 -10.663 1.00 3.32 H new ATOM 755 N MET A 581 -1.144 -1.596 -4.527 1.00 1.20 N ATOM 756 CA MET A 581 -1.185 -1.532 -3.058 1.00 1.20 C ATOM 757 C MET A 581 -1.776 -0.204 -2.549 1.00 1.05 C ATOM 758 O MET A 581 -1.557 0.850 -3.152 1.00 1.05 O ATOM 759 CB MET A 581 0.236 -1.808 -2.527 1.00 1.44 C ATOM 760 CG MET A 581 0.358 -1.902 -0.999 1.00 1.88 C ATOM 761 SD MET A 581 0.554 -0.315 -0.142 1.00 1.89 S ATOM 762 CE MET A 581 0.583 -0.890 1.577 1.00 1.54 C ATOM 0 H MET A 581 -0.371 -1.058 -4.918 1.00 1.20 H new ATOM 0 HA MET A 581 -1.860 -2.296 -2.672 1.00 1.20 H new ATOM 0 HB2 MET A 581 0.594 -2.741 -2.962 1.00 1.44 H new ATOM 0 HB3 MET A 581 0.898 -1.017 -2.880 1.00 1.44 H new ATOM 0 HG2 MET A 581 -0.530 -2.400 -0.609 1.00 1.88 H new ATOM 0 HG3 MET A 581 1.211 -2.536 -0.757 1.00 1.88 H new ATOM 0 HE1 MET A 581 1.377 -0.377 2.119 1.00 1.54 H new ATOM 0 HE2 MET A 581 -0.376 -0.675 2.049 1.00 1.54 H new ATOM 0 HE3 MET A 581 0.765 -1.965 1.598 1.00 1.54 H new ATOM 772 N TYR A 582 -2.508 -0.268 -1.429 1.00 0.99 N ATOM 773 CA TYR A 582 -3.197 0.864 -0.796 1.00 0.90 C ATOM 774 C TYR A 582 -2.904 0.938 0.713 1.00 0.88 C ATOM 775 O TYR A 582 -2.694 -0.085 1.369 1.00 0.92 O ATOM 776 CB TYR A 582 -4.721 0.798 -1.031 1.00 0.88 C ATOM 777 CG TYR A 582 -5.225 -0.130 -2.128 1.00 1.62 C ATOM 778 CD1 TYR A 582 -5.529 -1.468 -1.810 1.00 3.28 C ATOM 779 CD2 TYR A 582 -5.418 0.340 -3.444 1.00 1.82 C ATOM 780 CE1 TYR A 582 -6.038 -2.334 -2.795 1.00 4.11 C ATOM 781 CE2 TYR A 582 -5.928 -0.526 -4.436 1.00 2.41 C ATOM 782 CZ TYR A 582 -6.242 -1.863 -4.108 1.00 3.35 C ATOM 783 OH TYR A 582 -6.746 -2.716 -5.037 1.00 4.25 O ATOM 0 H TYR A 582 -2.641 -1.142 -0.920 1.00 0.99 H new ATOM 0 HA TYR A 582 -2.810 1.768 -1.265 1.00 0.90 H new ATOM 0 HB2 TYR A 582 -5.193 0.499 -0.095 1.00 0.88 H new ATOM 0 HB3 TYR A 582 -5.070 1.806 -1.256 1.00 0.88 H new ATOM 0 HD1 TYR A 582 -5.371 -1.831 -0.805 1.00 3.28 H new ATOM 0 HD2 TYR A 582 -5.176 1.363 -3.693 1.00 1.82 H new ATOM 0 HE1 TYR A 582 -6.272 -3.358 -2.546 1.00 4.11 H new ATOM 0 HE2 TYR A 582 -6.078 -0.166 -5.443 1.00 2.41 H new ATOM 0 HH TYR A 582 -7.661 -2.965 -4.790 1.00 4.25 H new ATOM 793 N PHE A 583 -2.961 2.142 1.282 1.00 0.91 N ATOM 794 CA PHE A 583 -2.722 2.406 2.706 1.00 0.95 C ATOM 795 C PHE A 583 -3.447 3.678 3.187 1.00 1.02 C ATOM 796 O PHE A 583 -4.034 4.413 2.392 1.00 1.21 O ATOM 797 CB PHE A 583 -1.210 2.329 3.050 1.00 1.02 C ATOM 798 CG PHE A 583 -0.105 2.905 2.164 1.00 1.19 C ATOM 799 CD1 PHE A 583 -0.332 3.763 1.071 1.00 2.21 C ATOM 800 CD2 PHE A 583 1.223 2.542 2.465 1.00 2.17 C ATOM 801 CE1 PHE A 583 0.736 4.179 0.251 1.00 2.58 C ATOM 802 CE2 PHE A 583 2.297 2.995 1.682 1.00 2.56 C ATOM 803 CZ PHE A 583 2.055 3.805 0.563 1.00 2.21 C ATOM 0 H PHE A 583 -3.181 2.986 0.753 1.00 0.91 H new ATOM 0 HA PHE A 583 -3.178 1.607 3.291 1.00 0.95 H new ATOM 0 HB2 PHE A 583 -1.095 2.800 4.026 1.00 1.02 H new ATOM 0 HB3 PHE A 583 -0.979 1.271 3.177 1.00 1.02 H new ATOM 0 HD1 PHE A 583 -1.334 4.106 0.859 1.00 2.21 H new ATOM 0 HD2 PHE A 583 1.418 1.903 3.314 1.00 2.17 H new ATOM 0 HE1 PHE A 583 0.541 4.787 -0.620 1.00 2.58 H new ATOM 0 HE2 PHE A 583 3.309 2.720 1.941 1.00 2.56 H new ATOM 0 HZ PHE A 583 2.876 4.139 -0.054 1.00 2.21 H new ATOM 813 N ILE A 584 -3.507 3.896 4.506 1.00 0.96 N ATOM 814 CA ILE A 584 -4.397 4.881 5.149 1.00 1.04 C ATOM 815 C ILE A 584 -3.620 6.148 5.543 1.00 1.15 C ATOM 816 O ILE A 584 -2.843 6.101 6.496 1.00 1.22 O ATOM 817 CB ILE A 584 -5.126 4.217 6.354 1.00 1.03 C ATOM 818 CG1 ILE A 584 -5.809 2.892 5.933 1.00 1.03 C ATOM 819 CG2 ILE A 584 -6.201 5.194 6.886 1.00 1.04 C ATOM 820 CD1 ILE A 584 -6.544 2.141 7.044 1.00 0.99 C ATOM 0 H ILE A 584 -2.929 3.385 5.173 1.00 0.96 H new ATOM 0 HA ILE A 584 -5.160 5.203 4.441 1.00 1.04 H new ATOM 0 HB ILE A 584 -4.391 3.994 7.127 1.00 1.03 H new ATOM 0 HG12 ILE A 584 -6.519 3.109 5.135 1.00 1.03 H new ATOM 0 HG13 ILE A 584 -5.050 2.231 5.514 1.00 1.03 H new ATOM 0 HG21 ILE A 584 -6.719 4.740 7.731 1.00 1.04 H new ATOM 0 HG22 ILE A 584 -5.724 6.120 7.208 1.00 1.04 H new ATOM 0 HG23 ILE A 584 -6.919 5.411 6.095 1.00 1.04 H new ATOM 0 HD11 ILE A 584 -6.984 1.230 6.638 1.00 0.99 H new ATOM 0 HD12 ILE A 584 -5.841 1.883 7.836 1.00 0.99 H new ATOM 0 HD13 ILE A 584 -7.332 2.774 7.451 1.00 0.99 H new ATOM 832 N GLN A 585 -3.814 7.281 4.844 1.00 1.22 N ATOM 833 CA GLN A 585 -3.113 8.541 5.142 1.00 1.34 C ATOM 834 C GLN A 585 -3.676 9.243 6.389 1.00 1.35 C ATOM 835 O GLN A 585 -2.899 9.564 7.289 1.00 1.40 O ATOM 836 CB GLN A 585 -3.113 9.453 3.899 1.00 1.45 C ATOM 837 CG GLN A 585 -2.180 10.675 4.014 1.00 1.55 C ATOM 838 CD GLN A 585 -2.890 11.951 4.466 1.00 2.01 C ATOM 839 OE1 GLN A 585 -3.578 12.609 3.699 1.00 3.22 O ATOM 840 NE2 GLN A 585 -2.769 12.362 5.708 1.00 1.81 N ATOM 0 H GLN A 585 -4.460 7.348 4.058 1.00 1.22 H new ATOM 0 HA GLN A 585 -2.077 8.305 5.385 1.00 1.34 H new ATOM 0 HB2 GLN A 585 -2.818 8.865 3.030 1.00 1.45 H new ATOM 0 HB3 GLN A 585 -4.130 9.802 3.718 1.00 1.45 H new ATOM 0 HG2 GLN A 585 -1.381 10.446 4.719 1.00 1.55 H new ATOM 0 HG3 GLN A 585 -1.710 10.854 3.047 1.00 1.55 H new ATOM 0 HE21 GLN A 585 -2.201 11.831 6.368 1.00 1.81 H new ATOM 0 HE22 GLN A 585 -3.243 13.212 6.012 1.00 1.81 H new ATOM 849 N HIS A 586 -4.997 9.442 6.474 1.00 1.33 N ATOM 850 CA HIS A 586 -5.686 9.915 7.686 1.00 1.33 C ATOM 851 C HIS A 586 -7.178 9.530 7.730 1.00 1.33 C ATOM 852 O HIS A 586 -7.948 9.953 6.871 1.00 1.35 O ATOM 853 CB HIS A 586 -5.564 11.440 7.839 1.00 1.28 C ATOM 854 CG HIS A 586 -6.371 11.942 9.014 1.00 1.94 C ATOM 855 ND1 HIS A 586 -6.300 11.477 10.312 1.00 2.38 N ATOM 856 CD2 HIS A 586 -7.446 12.788 8.951 1.00 3.35 C ATOM 857 CE1 HIS A 586 -7.299 12.041 11.010 1.00 3.12 C ATOM 858 NE2 HIS A 586 -8.041 12.837 10.218 1.00 3.74 N ATOM 0 H HIS A 586 -5.630 9.277 5.691 1.00 1.33 H new ATOM 0 HA HIS A 586 -5.185 9.414 8.514 1.00 1.33 H new ATOM 0 HB2 HIS A 586 -4.517 11.711 7.972 1.00 1.28 H new ATOM 0 HB3 HIS A 586 -5.906 11.927 6.926 1.00 1.28 H new ATOM 0 HD1 HIS A 586 -5.610 10.820 10.677 1.00 2.38 H new ATOM 0 HD2 HIS A 586 -7.778 13.325 8.075 1.00 3.35 H new ATOM 0 HE1 HIS A 586 -7.482 11.878 12.062 1.00 3.12 H new ATOM 866 N GLY A 587 -7.608 8.819 8.778 1.00 1.37 N ATOM 867 CA GLY A 587 -9.015 8.619 9.129 1.00 1.43 C ATOM 868 C GLY A 587 -9.216 7.331 9.927 1.00 1.51 C ATOM 869 O GLY A 587 -8.286 6.864 10.593 1.00 1.59 O ATOM 0 H GLY A 587 -6.968 8.355 9.422 1.00 1.37 H new ATOM 0 HA2 GLY A 587 -9.370 9.469 9.712 1.00 1.43 H new ATOM 0 HA3 GLY A 587 -9.616 8.583 8.220 1.00 1.43 H new ATOM 873 N VAL A 588 -10.423 6.764 9.855 1.00 1.53 N ATOM 874 CA VAL A 588 -10.798 5.484 10.479 1.00 1.61 C ATOM 875 C VAL A 588 -11.700 4.686 9.524 1.00 1.57 C ATOM 876 O VAL A 588 -12.529 5.256 8.809 1.00 1.56 O ATOM 877 CB VAL A 588 -11.502 5.699 11.845 1.00 1.75 C ATOM 878 CG1 VAL A 588 -11.888 4.383 12.534 1.00 1.88 C ATOM 879 CG2 VAL A 588 -10.624 6.479 12.835 1.00 1.76 C ATOM 0 H VAL A 588 -11.194 7.194 9.345 1.00 1.53 H new ATOM 0 HA VAL A 588 -9.887 4.917 10.670 1.00 1.61 H new ATOM 0 HB VAL A 588 -12.400 6.265 11.598 1.00 1.75 H new ATOM 0 HG11 VAL A 588 -12.376 4.599 13.484 1.00 1.88 H new ATOM 0 HG12 VAL A 588 -12.571 3.824 11.894 1.00 1.88 H new ATOM 0 HG13 VAL A 588 -10.991 3.790 12.714 1.00 1.88 H new ATOM 0 HG21 VAL A 588 -11.160 6.604 13.776 1.00 1.76 H new ATOM 0 HG22 VAL A 588 -9.700 5.929 13.014 1.00 1.76 H new ATOM 0 HG23 VAL A 588 -10.388 7.458 12.419 1.00 1.76 H new ATOM 889 N VAL A 589 -11.558 3.360 9.507 1.00 1.58 N ATOM 890 CA VAL A 589 -12.400 2.439 8.721 1.00 1.58 C ATOM 891 C VAL A 589 -12.999 1.339 9.599 1.00 1.73 C ATOM 892 O VAL A 589 -12.397 0.951 10.596 1.00 1.85 O ATOM 893 CB VAL A 589 -11.631 1.844 7.525 1.00 1.51 C ATOM 894 CG1 VAL A 589 -11.134 2.952 6.584 1.00 1.40 C ATOM 895 CG2 VAL A 589 -10.443 0.988 7.979 1.00 1.56 C ATOM 0 H VAL A 589 -10.840 2.880 10.049 1.00 1.58 H new ATOM 0 HA VAL A 589 -13.226 3.025 8.318 1.00 1.58 H new ATOM 0 HB VAL A 589 -12.331 1.203 6.989 1.00 1.51 H new ATOM 0 HG11 VAL A 589 -10.595 2.505 5.749 1.00 1.40 H new ATOM 0 HG12 VAL A 589 -11.986 3.517 6.205 1.00 1.40 H new ATOM 0 HG13 VAL A 589 -10.468 3.621 7.129 1.00 1.40 H new ATOM 0 HG21 VAL A 589 -9.928 0.588 7.106 1.00 1.56 H new ATOM 0 HG22 VAL A 589 -9.752 1.602 8.558 1.00 1.56 H new ATOM 0 HG23 VAL A 589 -10.802 0.165 8.597 1.00 1.56 H new ATOM 905 N SER A 590 -14.151 0.810 9.189 1.00 1.73 N ATOM 906 CA SER A 590 -14.876 -0.306 9.819 1.00 2.02 C ATOM 907 C SER A 590 -14.935 -1.459 8.824 1.00 2.12 C ATOM 908 O SER A 590 -15.265 -1.301 7.649 1.00 1.95 O ATOM 909 CB SER A 590 -16.312 0.095 10.177 1.00 2.24 C ATOM 910 OG SER A 590 -16.322 1.214 11.041 1.00 2.39 O ATOM 0 H SER A 590 -14.635 1.164 8.364 1.00 1.73 H new ATOM 0 HA SER A 590 -14.355 -0.590 10.733 1.00 2.02 H new ATOM 0 HB2 SER A 590 -16.866 0.327 9.268 1.00 2.24 H new ATOM 0 HB3 SER A 590 -16.820 -0.743 10.655 1.00 2.24 H new ATOM 0 HG SER A 590 -17.248 1.454 11.255 1.00 2.39 H new ATOM 916 N VAL A 591 -14.466 -2.608 9.266 1.00 2.35 N ATOM 917 CA VAL A 591 -13.674 -3.492 8.432 1.00 2.13 C ATOM 918 C VAL A 591 -13.994 -4.931 8.789 1.00 1.79 C ATOM 919 O VAL A 591 -14.211 -5.237 9.958 1.00 1.71 O ATOM 920 CB VAL A 591 -12.196 -3.125 8.688 1.00 2.39 C ATOM 921 CG1 VAL A 591 -11.891 -3.019 10.168 1.00 3.54 C ATOM 922 CG2 VAL A 591 -11.188 -4.172 8.336 1.00 1.99 C ATOM 0 H VAL A 591 -14.622 -2.956 10.212 1.00 2.35 H new ATOM 0 HA VAL A 591 -13.892 -3.381 7.370 1.00 2.13 H new ATOM 0 HB VAL A 591 -12.111 -2.220 8.087 1.00 2.39 H new ATOM 0 HG11 VAL A 591 -10.841 -2.759 10.305 1.00 3.54 H new ATOM 0 HG12 VAL A 591 -12.517 -2.247 10.614 1.00 3.54 H new ATOM 0 HG13 VAL A 591 -12.095 -3.975 10.651 1.00 3.54 H new ATOM 0 HG21 VAL A 591 -10.187 -3.803 8.558 1.00 1.99 H new ATOM 0 HG22 VAL A 591 -11.380 -5.073 8.919 1.00 1.99 H new ATOM 0 HG23 VAL A 591 -11.261 -4.405 7.274 1.00 1.99 H new ATOM 932 N LEU A 592 -13.922 -5.831 7.818 1.00 1.63 N ATOM 933 CA LEU A 592 -13.804 -7.254 8.095 1.00 1.47 C ATOM 934 C LEU A 592 -12.503 -7.741 7.462 1.00 1.63 C ATOM 935 O LEU A 592 -12.279 -7.520 6.264 1.00 1.70 O ATOM 936 CB LEU A 592 -14.987 -8.038 7.475 1.00 1.55 C ATOM 937 CG LEU A 592 -16.412 -7.960 8.061 1.00 1.81 C ATOM 938 CD1 LEU A 592 -16.560 -8.918 9.238 1.00 2.07 C ATOM 939 CD2 LEU A 592 -16.890 -6.575 8.483 1.00 2.34 C ATOM 0 H LEU A 592 -13.944 -5.598 6.825 1.00 1.63 H new ATOM 0 HA LEU A 592 -13.812 -7.418 9.173 1.00 1.47 H new ATOM 0 HB2 LEU A 592 -15.058 -7.729 6.432 1.00 1.55 H new ATOM 0 HB3 LEU A 592 -14.703 -9.090 7.477 1.00 1.55 H new ATOM 0 HG LEU A 592 -17.052 -8.246 7.227 1.00 1.81 H new ATOM 0 HD11 LEU A 592 -17.571 -8.849 9.638 1.00 2.07 H new ATOM 0 HD12 LEU A 592 -16.371 -9.938 8.903 1.00 2.07 H new ATOM 0 HD13 LEU A 592 -15.843 -8.653 10.015 1.00 2.07 H new ATOM 0 HD21 LEU A 592 -17.903 -6.645 8.879 1.00 2.34 H new ATOM 0 HD22 LEU A 592 -16.226 -6.180 9.252 1.00 2.34 H new ATOM 0 HD23 LEU A 592 -16.883 -5.909 7.620 1.00 2.34 H new ATOM 951 N THR A 593 -11.657 -8.439 8.215 1.00 1.90 N ATOM 952 CA THR A 593 -10.497 -9.136 7.614 1.00 2.27 C ATOM 953 C THR A 593 -10.812 -10.574 7.194 1.00 2.36 C ATOM 954 O THR A 593 -11.526 -11.302 7.891 1.00 2.30 O ATOM 955 CB THR A 593 -9.239 -9.055 8.490 1.00 2.62 C ATOM 956 OG1 THR A 593 -9.561 -8.969 9.857 1.00 2.51 O ATOM 957 CG2 THR A 593 -8.455 -7.797 8.122 1.00 2.87 C ATOM 0 H THR A 593 -11.740 -8.543 9.226 1.00 1.90 H new ATOM 0 HA THR A 593 -10.275 -8.592 6.696 1.00 2.27 H new ATOM 0 HB THR A 593 -8.657 -9.960 8.316 1.00 2.62 H new ATOM 0 HG1 THR A 593 -8.737 -8.921 10.385 1.00 2.51 H new ATOM 0 HG21 THR A 593 -7.560 -7.732 8.740 1.00 2.87 H new ATOM 0 HG22 THR A 593 -8.168 -7.841 7.071 1.00 2.87 H new ATOM 0 HG23 THR A 593 -9.077 -6.918 8.291 1.00 2.87 H new ATOM 965 N LYS A 594 -10.277 -11.005 6.038 1.00 2.63 N ATOM 966 CA LYS A 594 -10.407 -12.392 5.552 1.00 2.92 C ATOM 967 C LYS A 594 -9.834 -13.389 6.568 1.00 3.54 C ATOM 968 O LYS A 594 -8.803 -13.122 7.187 1.00 4.62 O ATOM 969 CB LYS A 594 -9.833 -12.570 4.126 1.00 3.13 C ATOM 970 CG LYS A 594 -8.330 -12.884 3.999 1.00 3.53 C ATOM 971 CD LYS A 594 -7.411 -11.719 4.383 1.00 3.69 C ATOM 972 CE LYS A 594 -5.949 -12.132 4.574 1.00 4.24 C ATOM 973 NZ LYS A 594 -5.354 -12.827 3.409 1.00 4.58 N ATOM 0 H LYS A 594 -9.742 -10.402 5.413 1.00 2.63 H new ATOM 0 HA LYS A 594 -11.470 -12.616 5.463 1.00 2.92 H new ATOM 0 HB2 LYS A 594 -10.387 -13.372 3.638 1.00 3.13 H new ATOM 0 HB3 LYS A 594 -10.035 -11.657 3.566 1.00 3.13 H new ATOM 0 HG2 LYS A 594 -8.095 -13.741 4.630 1.00 3.53 H new ATOM 0 HG3 LYS A 594 -8.117 -13.177 2.971 1.00 3.53 H new ATOM 0 HD2 LYS A 594 -7.466 -10.953 3.609 1.00 3.69 H new ATOM 0 HD3 LYS A 594 -7.776 -11.267 5.305 1.00 3.69 H new ATOM 0 HE2 LYS A 594 -5.358 -11.242 4.792 1.00 4.24 H new ATOM 0 HE3 LYS A 594 -5.879 -12.783 5.445 1.00 4.24 H new ATOM 0 HZ1 LYS A 594 -4.320 -12.714 3.428 1.00 4.58 H new ATOM 0 HZ2 LYS A 594 -5.593 -13.838 3.449 1.00 4.58 H new ATOM 0 HZ3 LYS A 594 -5.730 -12.417 2.531 1.00 4.58 H new ATOM 987 N GLY A 595 -10.521 -14.511 6.772 1.00 3.33 N ATOM 988 CA GLY A 595 -10.256 -15.445 7.879 1.00 3.77 C ATOM 989 C GLY A 595 -10.849 -15.050 9.229 1.00 3.55 C ATOM 990 O GLY A 595 -10.923 -15.887 10.135 1.00 3.85 O ATOM 0 H GLY A 595 -11.289 -14.806 6.169 1.00 3.33 H new ATOM 0 HA2 GLY A 595 -10.644 -16.426 7.604 1.00 3.77 H new ATOM 0 HA3 GLY A 595 -9.177 -15.550 7.992 1.00 3.77 H new ATOM 994 N ASN A 596 -11.195 -13.775 9.402 1.00 3.07 N ATOM 995 CA ASN A 596 -11.200 -13.133 10.708 1.00 2.87 C ATOM 996 C ASN A 596 -12.487 -12.315 10.952 1.00 2.44 C ATOM 997 O ASN A 596 -13.552 -12.624 10.410 1.00 2.52 O ATOM 998 CB ASN A 596 -9.925 -12.287 10.853 1.00 2.93 C ATOM 999 CG ASN A 596 -8.579 -12.874 10.452 1.00 3.41 C ATOM 1000 OD1 ASN A 596 -8.354 -14.074 10.396 1.00 3.80 O ATOM 1001 ND2 ASN A 596 -7.586 -12.036 10.290 1.00 3.56 N ATOM 0 H ASN A 596 -11.479 -13.161 8.638 1.00 3.07 H new ATOM 0 HA ASN A 596 -11.200 -13.900 11.482 1.00 2.87 H new ATOM 0 HB2 ASN A 596 -10.070 -11.378 10.270 1.00 2.93 H new ATOM 0 HB3 ASN A 596 -9.851 -11.987 11.898 1.00 2.93 H new ATOM 0 HD21 ASN A 596 -6.644 -12.388 10.120 1.00 3.56 H new ATOM 0 HD22 ASN A 596 -7.755 -11.031 10.333 1.00 3.56 H new ATOM 1008 N LYS A 597 -12.412 -11.351 11.882 1.00 2.18 N ATOM 1009 CA LYS A 597 -13.564 -10.699 12.508 1.00 1.91 C ATOM 1010 C LYS A 597 -13.841 -9.283 12.013 1.00 1.61 C ATOM 1011 O LYS A 597 -13.038 -8.681 11.301 1.00 1.69 O ATOM 1012 CB LYS A 597 -13.433 -10.740 14.047 1.00 2.11 C ATOM 1013 CG LYS A 597 -13.494 -12.120 14.727 1.00 2.51 C ATOM 1014 CD LYS A 597 -12.354 -13.113 14.448 1.00 2.54 C ATOM 1015 CE LYS A 597 -10.931 -12.541 14.521 1.00 3.06 C ATOM 1016 NZ LYS A 597 -10.645 -11.839 15.795 1.00 4.02 N ATOM 0 H LYS A 597 -11.520 -10.996 12.227 1.00 2.18 H new ATOM 0 HA LYS A 597 -14.436 -11.276 12.200 1.00 1.91 H new ATOM 0 HB2 LYS A 597 -12.486 -10.273 14.317 1.00 2.11 H new ATOM 0 HB3 LYS A 597 -14.225 -10.121 14.469 1.00 2.11 H new ATOM 0 HG2 LYS A 597 -13.541 -11.960 15.804 1.00 2.51 H new ATOM 0 HG3 LYS A 597 -14.430 -12.595 14.434 1.00 2.51 H new ATOM 0 HD2 LYS A 597 -12.431 -13.934 15.161 1.00 2.54 H new ATOM 0 HD3 LYS A 597 -12.503 -13.538 13.455 1.00 2.54 H new ATOM 0 HE2 LYS A 597 -10.214 -13.352 14.392 1.00 3.06 H new ATOM 0 HE3 LYS A 597 -10.782 -11.849 13.692 1.00 3.06 H new ATOM 0 HZ1 LYS A 597 -9.625 -11.880 15.993 1.00 4.02 H new ATOM 0 HZ2 LYS A 597 -10.943 -10.846 15.718 1.00 4.02 H new ATOM 0 HZ3 LYS A 597 -11.166 -12.298 16.569 1.00 4.02 H new ATOM 1030 N GLU A 598 -14.974 -8.736 12.455 1.00 1.60 N ATOM 1031 CA GLU A 598 -15.253 -7.306 12.330 1.00 1.67 C ATOM 1032 C GLU A 598 -14.375 -6.479 13.282 1.00 1.78 C ATOM 1033 O GLU A 598 -14.281 -6.760 14.484 1.00 1.84 O ATOM 1034 CB GLU A 598 -16.759 -7.008 12.451 1.00 2.03 C ATOM 1035 CG GLU A 598 -17.371 -7.202 13.844 1.00 2.44 C ATOM 1036 CD GLU A 598 -18.893 -7.359 13.730 1.00 2.93 C ATOM 1037 OE1 GLU A 598 -19.579 -6.342 13.466 1.00 3.12 O ATOM 1038 OE2 GLU A 598 -19.407 -8.496 13.875 1.00 3.97 O ATOM 0 H GLU A 598 -15.719 -9.267 12.906 1.00 1.60 H new ATOM 0 HA GLU A 598 -14.976 -6.990 11.324 1.00 1.67 H new ATOM 0 HB2 GLU A 598 -16.932 -5.978 12.140 1.00 2.03 H new ATOM 0 HB3 GLU A 598 -17.294 -7.647 11.748 1.00 2.03 H new ATOM 0 HG2 GLU A 598 -16.941 -8.083 14.320 1.00 2.44 H new ATOM 0 HG3 GLU A 598 -17.131 -6.348 14.478 1.00 2.44 H new ATOM 1045 N MET A 599 -13.706 -5.476 12.716 1.00 1.86 N ATOM 1046 CA MET A 599 -12.796 -4.538 13.370 1.00 2.12 C ATOM 1047 C MET A 599 -13.106 -3.086 13.001 1.00 2.36 C ATOM 1048 O MET A 599 -13.994 -2.791 12.199 1.00 2.79 O ATOM 1049 CB MET A 599 -11.316 -4.897 13.154 1.00 2.19 C ATOM 1050 CG MET A 599 -10.977 -6.379 13.325 1.00 2.11 C ATOM 1051 SD MET A 599 -9.239 -6.764 12.991 1.00 2.34 S ATOM 1052 CE MET A 599 -9.145 -6.198 11.272 1.00 2.49 C ATOM 0 H MET A 599 -13.792 -5.284 11.718 1.00 1.86 H new ATOM 0 HA MET A 599 -12.973 -4.633 14.441 1.00 2.12 H new ATOM 0 HB2 MET A 599 -11.026 -4.587 12.150 1.00 2.19 H new ATOM 0 HB3 MET A 599 -10.712 -4.319 13.853 1.00 2.19 H new ATOM 0 HG2 MET A 599 -11.220 -6.684 14.343 1.00 2.11 H new ATOM 0 HG3 MET A 599 -11.606 -6.967 12.657 1.00 2.11 H new ATOM 0 HE1 MET A 599 -8.309 -6.688 10.773 1.00 2.49 H new ATOM 0 HE2 MET A 599 -10.072 -6.446 10.756 1.00 2.49 H new ATOM 0 HE3 MET A 599 -8.997 -5.118 11.252 1.00 2.49 H new ATOM 1062 N LYS A 600 -12.350 -2.172 13.603 1.00 2.20 N ATOM 1063 CA LYS A 600 -11.848 -0.950 12.995 1.00 2.05 C ATOM 1064 C LYS A 600 -10.356 -1.020 12.655 1.00 1.97 C ATOM 1065 O LYS A 600 -9.604 -1.784 13.260 1.00 2.06 O ATOM 1066 CB LYS A 600 -12.096 0.229 13.963 1.00 2.15 C ATOM 1067 CG LYS A 600 -13.424 0.982 13.855 1.00 2.27 C ATOM 1068 CD LYS A 600 -14.701 0.156 13.712 1.00 2.15 C ATOM 1069 CE LYS A 600 -14.980 -0.758 14.909 1.00 1.97 C ATOM 1070 NZ LYS A 600 -16.249 -1.497 14.728 1.00 2.48 N ATOM 0 H LYS A 600 -12.058 -2.271 14.575 1.00 2.20 H new ATOM 0 HA LYS A 600 -12.383 -0.809 12.056 1.00 2.05 H new ATOM 0 HB2 LYS A 600 -12.010 -0.151 14.981 1.00 2.15 H new ATOM 0 HB3 LYS A 600 -11.291 0.950 13.823 1.00 2.15 H new ATOM 0 HG2 LYS A 600 -13.527 1.608 14.741 1.00 2.27 H new ATOM 0 HG3 LYS A 600 -13.361 1.652 12.998 1.00 2.27 H new ATOM 0 HD2 LYS A 600 -15.546 0.831 13.576 1.00 2.15 H new ATOM 0 HD3 LYS A 600 -14.631 -0.452 12.810 1.00 2.15 H new ATOM 0 HE2 LYS A 600 -14.158 -1.464 15.031 1.00 1.97 H new ATOM 0 HE3 LYS A 600 -15.028 -0.164 15.821 1.00 1.97 H new ATOM 0 HZ1 LYS A 600 -16.415 -2.109 15.552 1.00 2.48 H new ATOM 0 HZ2 LYS A 600 -17.034 -0.821 14.635 1.00 2.48 H new ATOM 0 HZ3 LYS A 600 -16.191 -2.081 13.869 1.00 2.48 H new ATOM 1084 N LEU A 601 -9.956 -0.157 11.722 1.00 1.85 N ATOM 1085 CA LEU A 601 -8.563 0.174 11.367 1.00 1.77 C ATOM 1086 C LEU A 601 -8.351 1.702 11.398 1.00 1.64 C ATOM 1087 O LEU A 601 -9.275 2.461 11.099 1.00 1.60 O ATOM 1088 CB LEU A 601 -8.203 -0.402 9.975 1.00 1.77 C ATOM 1089 CG LEU A 601 -7.078 -1.446 9.950 1.00 1.70 C ATOM 1090 CD1 LEU A 601 -7.546 -2.758 10.573 1.00 1.69 C ATOM 1091 CD2 LEU A 601 -6.668 -1.740 8.506 1.00 1.67 C ATOM 0 H LEU A 601 -10.628 0.363 11.158 1.00 1.85 H new ATOM 0 HA LEU A 601 -7.900 -0.281 12.103 1.00 1.77 H new ATOM 0 HB2 LEU A 601 -9.099 -0.852 9.547 1.00 1.77 H new ATOM 0 HB3 LEU A 601 -7.919 0.425 9.324 1.00 1.77 H new ATOM 0 HG LEU A 601 -6.238 -1.041 10.515 1.00 1.70 H new ATOM 0 HD11 LEU A 601 -6.734 -3.484 10.545 1.00 1.69 H new ATOM 0 HD12 LEU A 601 -7.842 -2.584 11.608 1.00 1.69 H new ATOM 0 HD13 LEU A 601 -8.397 -3.144 10.012 1.00 1.69 H new ATOM 0 HD21 LEU A 601 -5.869 -2.482 8.498 1.00 1.67 H new ATOM 0 HD22 LEU A 601 -7.526 -2.125 7.955 1.00 1.67 H new ATOM 0 HD23 LEU A 601 -6.316 -0.823 8.034 1.00 1.67 H new ATOM 1103 N SER A 602 -7.133 2.154 11.711 1.00 1.60 N ATOM 1104 CA SER A 602 -6.756 3.580 11.793 1.00 1.48 C ATOM 1105 C SER A 602 -5.626 3.976 10.830 1.00 1.47 C ATOM 1106 O SER A 602 -5.086 3.143 10.109 1.00 1.58 O ATOM 1107 CB SER A 602 -6.436 3.963 13.245 1.00 1.50 C ATOM 1108 OG SER A 602 -5.357 3.251 13.820 1.00 1.72 O ATOM 0 H SER A 602 -6.357 1.526 11.921 1.00 1.60 H new ATOM 0 HA SER A 602 -7.621 4.155 11.462 1.00 1.48 H new ATOM 0 HB2 SER A 602 -6.212 5.029 13.284 1.00 1.50 H new ATOM 0 HB3 SER A 602 -7.326 3.801 13.854 1.00 1.50 H new ATOM 0 HG SER A 602 -5.218 3.555 14.741 1.00 1.72 H new ATOM 1114 N ASP A 603 -5.255 5.260 10.776 1.00 1.41 N ATOM 1115 CA ASP A 603 -4.230 5.729 9.828 1.00 1.48 C ATOM 1116 C ASP A 603 -2.799 5.255 10.143 1.00 1.45 C ATOM 1117 O ASP A 603 -2.478 4.909 11.283 1.00 1.56 O ATOM 1118 CB ASP A 603 -4.359 7.227 9.543 1.00 1.96 C ATOM 1119 CG ASP A 603 -4.075 8.155 10.720 1.00 2.40 C ATOM 1120 OD1 ASP A 603 -2.918 8.197 11.194 1.00 2.19 O ATOM 1121 OD2 ASP A 603 -5.014 8.866 11.156 1.00 3.46 O ATOM 0 H ASP A 603 -5.644 5.991 11.372 1.00 1.41 H new ATOM 0 HA ASP A 603 -4.442 5.226 8.884 1.00 1.48 H new ATOM 0 HB2 ASP A 603 -3.678 7.483 8.731 1.00 1.96 H new ATOM 0 HB3 ASP A 603 -5.370 7.424 9.186 1.00 1.96 H new ATOM 1126 N GLY A 604 -1.955 5.172 9.109 1.00 1.35 N ATOM 1127 CA GLY A 604 -0.655 4.488 9.157 1.00 1.35 C ATOM 1128 C GLY A 604 -0.709 2.971 8.906 1.00 1.25 C ATOM 1129 O GLY A 604 0.318 2.293 8.949 1.00 1.36 O ATOM 0 H GLY A 604 -2.158 5.585 8.199 1.00 1.35 H new ATOM 0 HA2 GLY A 604 0.004 4.940 8.416 1.00 1.35 H new ATOM 0 HA3 GLY A 604 -0.205 4.664 10.134 1.00 1.35 H new ATOM 1133 N SER A 605 -1.901 2.437 8.634 1.00 1.18 N ATOM 1134 CA SER A 605 -2.155 1.019 8.351 1.00 1.09 C ATOM 1135 C SER A 605 -2.292 0.730 6.848 1.00 1.05 C ATOM 1136 O SER A 605 -2.508 1.634 6.038 1.00 1.10 O ATOM 1137 CB SER A 605 -3.402 0.580 9.117 1.00 1.03 C ATOM 1138 OG SER A 605 -3.161 0.662 10.511 1.00 0.99 O ATOM 0 H SER A 605 -2.751 3.001 8.603 1.00 1.18 H new ATOM 0 HA SER A 605 -1.293 0.442 8.685 1.00 1.09 H new ATOM 0 HB2 SER A 605 -4.248 1.212 8.847 1.00 1.03 H new ATOM 0 HB3 SER A 605 -3.667 -0.441 8.844 1.00 1.03 H new ATOM 0 HG SER A 605 -3.620 1.447 10.877 1.00 0.99 H new ATOM 1144 N TYR A 606 -2.157 -0.545 6.477 1.00 1.02 N ATOM 1145 CA TYR A 606 -2.083 -1.045 5.095 1.00 1.05 C ATOM 1146 C TYR A 606 -3.310 -1.894 4.719 1.00 1.31 C ATOM 1147 O TYR A 606 -3.839 -2.612 5.573 1.00 1.72 O ATOM 1148 CB TYR A 606 -0.823 -1.911 4.920 1.00 1.70 C ATOM 1149 CG TYR A 606 0.561 -1.319 5.164 1.00 1.29 C ATOM 1150 CD1 TYR A 606 0.804 0.063 5.328 1.00 2.92 C ATOM 1151 CD2 TYR A 606 1.646 -2.216 5.201 1.00 1.71 C ATOM 1152 CE1 TYR A 606 2.120 0.537 5.520 1.00 4.25 C ATOM 1153 CE2 TYR A 606 2.955 -1.749 5.404 1.00 2.72 C ATOM 1154 CZ TYR A 606 3.201 -0.369 5.546 1.00 3.96 C ATOM 1155 OH TYR A 606 4.480 0.066 5.677 1.00 5.48 O ATOM 0 H TYR A 606 -2.093 -1.297 7.163 1.00 1.02 H new ATOM 0 HA TYR A 606 -2.050 -0.173 4.441 1.00 1.05 H new ATOM 0 HB2 TYR A 606 -0.928 -2.770 5.583 1.00 1.70 H new ATOM 0 HB3 TYR A 606 -0.834 -2.294 3.899 1.00 1.70 H new ATOM 0 HD1 TYR A 606 -0.021 0.760 5.306 1.00 2.92 H new ATOM 0 HD2 TYR A 606 1.470 -3.274 5.072 1.00 1.71 H new ATOM 0 HE1 TYR A 606 2.299 1.594 5.647 1.00 4.25 H new ATOM 0 HE2 TYR A 606 3.775 -2.450 5.451 1.00 2.72 H new ATOM 0 HH TYR A 606 4.488 1.044 5.742 1.00 5.48 H new ATOM 1165 N PHE A 607 -3.710 -1.872 3.442 1.00 1.17 N ATOM 1166 CA PHE A 607 -4.821 -2.658 2.891 1.00 1.42 C ATOM 1167 C PHE A 607 -4.408 -3.774 1.921 1.00 1.56 C ATOM 1168 O PHE A 607 -3.364 -3.719 1.266 1.00 1.80 O ATOM 1169 CB PHE A 607 -5.782 -1.711 2.162 1.00 1.62 C ATOM 1170 CG PHE A 607 -6.767 -1.003 3.055 1.00 1.35 C ATOM 1171 CD1 PHE A 607 -7.693 -1.770 3.783 1.00 2.35 C ATOM 1172 CD2 PHE A 607 -6.834 0.401 3.078 1.00 2.03 C ATOM 1173 CE1 PHE A 607 -8.704 -1.138 4.514 1.00 2.90 C ATOM 1174 CE2 PHE A 607 -7.855 1.032 3.806 1.00 1.97 C ATOM 1175 CZ PHE A 607 -8.795 0.262 4.511 1.00 2.13 C ATOM 0 H PHE A 607 -3.255 -1.288 2.741 1.00 1.17 H new ATOM 0 HA PHE A 607 -5.286 -3.154 3.743 1.00 1.42 H new ATOM 0 HB2 PHE A 607 -5.197 -0.964 1.625 1.00 1.62 H new ATOM 0 HB3 PHE A 607 -6.334 -2.281 1.415 1.00 1.62 H new ATOM 0 HD1 PHE A 607 -7.624 -2.848 3.778 1.00 2.35 H new ATOM 0 HD2 PHE A 607 -6.106 0.990 2.540 1.00 2.03 H new ATOM 0 HE1 PHE A 607 -9.412 -1.726 5.079 1.00 2.90 H new ATOM 0 HE2 PHE A 607 -7.918 2.110 3.824 1.00 1.97 H new ATOM 0 HZ PHE A 607 -9.591 0.750 5.053 1.00 2.13 H new ATOM 1185 N GLY A 608 -5.314 -4.740 1.741 1.00 1.88 N ATOM 1186 CA GLY A 608 -5.209 -5.780 0.722 1.00 2.38 C ATOM 1187 C GLY A 608 -4.250 -6.909 1.130 1.00 2.86 C ATOM 1188 O GLY A 608 -4.300 -7.378 2.266 1.00 4.32 O ATOM 0 H GLY A 608 -6.155 -4.819 2.312 1.00 1.88 H new ATOM 0 HA2 GLY A 608 -6.197 -6.198 0.531 1.00 2.38 H new ATOM 0 HA3 GLY A 608 -4.865 -5.336 -0.212 1.00 2.38 H new ATOM 1192 N GLU A 609 -3.406 -7.368 0.196 1.00 2.24 N ATOM 1193 CA GLU A 609 -2.436 -8.476 0.389 1.00 2.70 C ATOM 1194 C GLU A 609 -1.086 -8.245 -0.328 1.00 2.11 C ATOM 1195 O GLU A 609 -0.269 -9.161 -0.412 1.00 2.86 O ATOM 1196 CB GLU A 609 -3.023 -9.830 -0.066 1.00 3.75 C ATOM 1197 CG GLU A 609 -4.402 -10.137 0.528 1.00 4.72 C ATOM 1198 CD GLU A 609 -4.889 -11.575 0.320 1.00 5.40 C ATOM 1199 OE1 GLU A 609 -4.205 -12.401 -0.325 1.00 5.81 O ATOM 1200 OE2 GLU A 609 -5.995 -11.892 0.830 1.00 6.19 O ATOM 0 H GLU A 609 -3.371 -6.974 -0.744 1.00 2.24 H new ATOM 0 HA GLU A 609 -2.243 -8.499 1.462 1.00 2.70 H new ATOM 0 HB2 GLU A 609 -3.096 -9.837 -1.153 1.00 3.75 H new ATOM 0 HB3 GLU A 609 -2.333 -10.626 0.212 1.00 3.75 H new ATOM 0 HG2 GLU A 609 -4.375 -9.929 1.598 1.00 4.72 H new ATOM 0 HG3 GLU A 609 -5.130 -9.455 0.089 1.00 4.72 H new ATOM 1207 N ILE A 610 -0.854 -7.029 -0.852 1.00 2.23 N ATOM 1208 CA ILE A 610 0.288 -6.628 -1.707 1.00 2.58 C ATOM 1209 C ILE A 610 0.337 -7.346 -3.077 1.00 2.05 C ATOM 1210 O ILE A 610 0.138 -8.551 -3.193 1.00 2.71 O ATOM 1211 CB ILE A 610 1.633 -6.717 -0.924 1.00 3.87 C ATOM 1212 CG1 ILE A 610 1.626 -5.805 0.322 1.00 5.30 C ATOM 1213 CG2 ILE A 610 2.862 -6.389 -1.798 1.00 4.50 C ATOM 1214 CD1 ILE A 610 2.644 -6.228 1.392 1.00 6.73 C ATOM 0 H ILE A 610 -1.492 -6.252 -0.683 1.00 2.23 H new ATOM 0 HA ILE A 610 0.124 -5.581 -1.963 1.00 2.58 H new ATOM 0 HB ILE A 610 1.719 -7.757 -0.608 1.00 3.87 H new ATOM 0 HG12 ILE A 610 1.837 -4.781 0.015 1.00 5.30 H new ATOM 0 HG13 ILE A 610 0.628 -5.807 0.760 1.00 5.30 H new ATOM 0 HG21 ILE A 610 3.768 -6.468 -1.197 1.00 4.50 H new ATOM 0 HG22 ILE A 610 2.916 -7.092 -2.629 1.00 4.50 H new ATOM 0 HG23 ILE A 610 2.772 -5.375 -2.187 1.00 4.50 H new ATOM 0 HD11 ILE A 610 2.586 -5.545 2.240 1.00 6.73 H new ATOM 0 HD12 ILE A 610 2.421 -7.241 1.726 1.00 6.73 H new ATOM 0 HD13 ILE A 610 3.649 -6.198 0.970 1.00 6.73 H new ATOM 1226 N CYS A 611 0.690 -6.598 -4.127 1.00 2.36 N ATOM 1227 CA CYS A 611 1.428 -7.101 -5.292 1.00 2.38 C ATOM 1228 C CYS A 611 2.605 -6.147 -5.544 1.00 2.07 C ATOM 1229 O CYS A 611 2.409 -4.932 -5.531 1.00 3.52 O ATOM 1230 CB CYS A 611 0.551 -7.180 -6.549 1.00 3.94 C ATOM 1231 SG CYS A 611 -0.624 -8.563 -6.501 1.00 5.44 S ATOM 0 H CYS A 611 0.466 -5.605 -4.193 1.00 2.36 H new ATOM 0 HA CYS A 611 1.770 -8.114 -5.082 1.00 2.38 H new ATOM 0 HB2 CYS A 611 0.001 -6.246 -6.662 1.00 3.94 H new ATOM 0 HB3 CYS A 611 1.190 -7.282 -7.426 1.00 3.94 H new ATOM 0 HG CYS A 611 -0.724 -9.006 -5.283 1.00 5.44 H new ATOM 1237 N LEU A 612 3.813 -6.682 -5.756 1.00 1.52 N ATOM 1238 CA LEU A 612 5.011 -5.904 -6.121 1.00 1.35 C ATOM 1239 C LEU A 612 6.027 -6.837 -6.800 1.00 1.55 C ATOM 1240 O LEU A 612 6.269 -6.726 -8.006 1.00 1.67 O ATOM 1241 CB LEU A 612 5.562 -5.185 -4.861 1.00 1.59 C ATOM 1242 CG LEU A 612 6.593 -4.059 -5.064 1.00 1.57 C ATOM 1243 CD1 LEU A 612 7.964 -4.584 -5.482 1.00 2.59 C ATOM 1244 CD2 LEU A 612 6.132 -3.015 -6.079 1.00 1.05 C ATOM 0 H LEU A 612 3.992 -7.683 -5.678 1.00 1.52 H new ATOM 0 HA LEU A 612 4.774 -5.121 -6.842 1.00 1.35 H new ATOM 0 HB2 LEU A 612 4.714 -4.768 -4.317 1.00 1.59 H new ATOM 0 HB3 LEU A 612 6.014 -5.939 -4.217 1.00 1.59 H new ATOM 0 HG LEU A 612 6.682 -3.585 -4.087 1.00 1.57 H new ATOM 0 HD11 LEU A 612 8.650 -3.747 -5.611 1.00 2.59 H new ATOM 0 HD12 LEU A 612 8.348 -5.253 -4.712 1.00 2.59 H new ATOM 0 HD13 LEU A 612 7.874 -5.128 -6.423 1.00 2.59 H new ATOM 0 HD21 LEU A 612 6.897 -2.245 -6.182 1.00 1.05 H new ATOM 0 HD22 LEU A 612 5.966 -3.494 -7.044 1.00 1.05 H new ATOM 0 HD23 LEU A 612 5.203 -2.559 -5.736 1.00 1.05 H new ATOM 1256 N LEU A 613 6.500 -7.843 -6.056 1.00 1.78 N ATOM 1257 CA LEU A 613 6.995 -9.113 -6.612 1.00 1.94 C ATOM 1258 C LEU A 613 6.178 -10.335 -6.151 1.00 2.06 C ATOM 1259 O LEU A 613 6.250 -11.396 -6.765 1.00 2.17 O ATOM 1260 CB LEU A 613 8.527 -9.252 -6.493 1.00 2.46 C ATOM 1261 CG LEU A 613 9.191 -9.530 -5.133 1.00 2.86 C ATOM 1262 CD1 LEU A 613 8.986 -8.408 -4.123 1.00 3.46 C ATOM 1263 CD2 LEU A 613 8.810 -10.869 -4.508 1.00 3.24 C ATOM 0 H LEU A 613 6.552 -7.800 -5.038 1.00 1.78 H new ATOM 0 HA LEU A 613 6.815 -9.084 -7.687 1.00 1.94 H new ATOM 0 HB2 LEU A 613 8.829 -10.054 -7.166 1.00 2.46 H new ATOM 0 HB3 LEU A 613 8.963 -8.331 -6.879 1.00 2.46 H new ATOM 0 HG LEU A 613 10.252 -9.582 -5.378 1.00 2.86 H new ATOM 0 HD11 LEU A 613 9.479 -8.667 -3.186 1.00 3.46 H new ATOM 0 HD12 LEU A 613 9.412 -7.484 -4.514 1.00 3.46 H new ATOM 0 HD13 LEU A 613 7.920 -8.269 -3.945 1.00 3.46 H new ATOM 0 HD21 LEU A 613 9.322 -10.983 -3.553 1.00 3.24 H new ATOM 0 HD22 LEU A 613 7.732 -10.902 -4.348 1.00 3.24 H new ATOM 0 HD23 LEU A 613 9.103 -11.679 -5.176 1.00 3.24 H new ATOM 1275 N THR A 614 5.345 -10.176 -5.119 1.00 2.40 N ATOM 1276 CA THR A 614 4.295 -11.139 -4.740 1.00 2.73 C ATOM 1277 C THR A 614 3.045 -11.009 -5.616 1.00 2.74 C ATOM 1278 O THR A 614 2.884 -10.014 -6.336 1.00 2.63 O ATOM 1279 CB THR A 614 3.959 -11.038 -3.243 1.00 3.28 C ATOM 1280 OG1 THR A 614 3.684 -12.318 -2.742 1.00 3.96 O ATOM 1281 CG2 THR A 614 2.784 -10.145 -2.869 1.00 3.35 C ATOM 0 H THR A 614 5.378 -9.360 -4.508 1.00 2.40 H new ATOM 0 HA THR A 614 4.695 -12.137 -4.920 1.00 2.73 H new ATOM 0 HB THR A 614 4.844 -10.575 -2.806 1.00 3.28 H new ATOM 0 HG1 THR A 614 3.471 -12.257 -1.787 1.00 3.96 H new ATOM 0 HG21 THR A 614 2.648 -10.157 -1.788 1.00 3.35 H new ATOM 0 HG22 THR A 614 2.983 -9.125 -3.199 1.00 3.35 H new ATOM 0 HG23 THR A 614 1.879 -10.513 -3.353 1.00 3.35 H new ATOM 1289 N ARG A 615 2.154 -12.007 -5.546 1.00 3.14 N ATOM 1290 CA ARG A 615 0.892 -12.060 -6.313 1.00 3.33 C ATOM 1291 C ARG A 615 -0.187 -12.966 -5.706 1.00 3.58 C ATOM 1292 O ARG A 615 0.127 -14.035 -5.182 1.00 3.83 O ATOM 1293 CB ARG A 615 1.181 -12.491 -7.765 1.00 3.38 C ATOM 1294 CG ARG A 615 1.929 -13.826 -7.907 1.00 3.90 C ATOM 1295 CD ARG A 615 2.242 -14.111 -9.377 1.00 4.01 C ATOM 1296 NE ARG A 615 2.942 -15.395 -9.521 1.00 4.99 N ATOM 1297 CZ ARG A 615 3.595 -15.815 -10.587 1.00 5.64 C ATOM 1298 NH1 ARG A 615 3.707 -15.093 -11.661 1.00 5.53 N ATOM 1299 NH2 ARG A 615 4.142 -16.991 -10.592 1.00 6.89 N ATOM 0 H ARG A 615 2.289 -12.819 -4.944 1.00 3.14 H new ATOM 0 HA ARG A 615 0.483 -11.050 -6.280 1.00 3.33 H new ATOM 0 HB2 ARG A 615 0.235 -12.562 -8.303 1.00 3.38 H new ATOM 0 HB3 ARG A 615 1.766 -11.710 -8.251 1.00 3.38 H new ATOM 0 HG2 ARG A 615 2.854 -13.794 -7.332 1.00 3.90 H new ATOM 0 HG3 ARG A 615 1.325 -14.634 -7.494 1.00 3.90 H new ATOM 0 HD2 ARG A 615 1.317 -14.129 -9.954 1.00 4.01 H new ATOM 0 HD3 ARG A 615 2.857 -13.309 -9.785 1.00 4.01 H new ATOM 0 HE ARG A 615 2.921 -16.023 -8.718 1.00 4.99 H new ATOM 0 HH11 ARG A 615 3.282 -14.167 -11.699 1.00 5.53 H new ATOM 0 HH12 ARG A 615 4.220 -15.452 -12.466 1.00 5.53 H new ATOM 0 HH21 ARG A 615 4.067 -17.592 -9.771 1.00 6.89 H new ATOM 0 HH22 ARG A 615 4.647 -17.315 -11.417 1.00 6.89 H new ATOM 1313 N GLY A 616 -1.454 -12.579 -5.892 1.00 3.72 N ATOM 1314 CA GLY A 616 -2.632 -13.430 -5.667 1.00 3.88 C ATOM 1315 C GLY A 616 -3.965 -12.669 -5.589 1.00 3.23 C ATOM 1316 O GLY A 616 -3.979 -11.472 -5.295 1.00 3.10 O ATOM 0 H GLY A 616 -1.697 -11.641 -6.211 1.00 3.72 H new ATOM 0 HA2 GLY A 616 -2.694 -14.163 -6.471 1.00 3.88 H new ATOM 0 HA3 GLY A 616 -2.491 -13.986 -4.740 1.00 3.88 H new ATOM 1320 N ARG A 617 -5.079 -13.373 -5.851 1.00 3.16 N ATOM 1321 CA ARG A 617 -6.477 -12.900 -5.693 1.00 2.75 C ATOM 1322 C ARG A 617 -6.778 -12.441 -4.261 1.00 2.65 C ATOM 1323 O ARG A 617 -6.668 -13.227 -3.311 1.00 3.18 O ATOM 1324 CB ARG A 617 -7.446 -14.055 -6.028 1.00 3.26 C ATOM 1325 CG ARG A 617 -7.559 -14.455 -7.502 1.00 3.14 C ATOM 1326 CD ARG A 617 -8.067 -13.336 -8.410 1.00 2.69 C ATOM 1327 NE ARG A 617 -8.263 -13.813 -9.792 1.00 2.61 N ATOM 1328 CZ ARG A 617 -9.005 -13.244 -10.727 1.00 2.69 C ATOM 1329 NH1 ARG A 617 -9.751 -12.200 -10.505 1.00 2.92 N ATOM 1330 NH2 ARG A 617 -9.015 -13.719 -11.936 1.00 3.67 N ATOM 0 H ARG A 617 -5.034 -14.332 -6.195 1.00 3.16 H new ATOM 0 HA ARG A 617 -6.607 -12.053 -6.367 1.00 2.75 H new ATOM 0 HB2 ARG A 617 -7.138 -14.933 -5.460 1.00 3.26 H new ATOM 0 HB3 ARG A 617 -8.439 -13.779 -5.674 1.00 3.26 H new ATOM 0 HG2 ARG A 617 -6.581 -14.781 -7.856 1.00 3.14 H new ATOM 0 HG3 ARG A 617 -8.230 -15.310 -7.586 1.00 3.14 H new ATOM 0 HD2 ARG A 617 -9.008 -12.948 -8.020 1.00 2.69 H new ATOM 0 HD3 ARG A 617 -7.355 -12.510 -8.406 1.00 2.69 H new ATOM 0 HE ARG A 617 -7.776 -14.670 -10.053 1.00 2.61 H new ATOM 0 HH11 ARG A 617 -9.781 -11.783 -9.574 1.00 2.92 H new ATOM 0 HH12 ARG A 617 -10.305 -11.799 -11.262 1.00 2.92 H new ATOM 0 HH21 ARG A 617 -8.449 -14.535 -12.168 1.00 3.67 H new ATOM 0 HH22 ARG A 617 -9.589 -13.276 -12.653 1.00 3.67 H new ATOM 1344 N ARG A 618 -7.229 -11.188 -4.122 1.00 2.25 N ATOM 1345 CA ARG A 618 -7.623 -10.580 -2.831 1.00 2.41 C ATOM 1346 C ARG A 618 -9.134 -10.512 -2.616 1.00 2.41 C ATOM 1347 O ARG A 618 -9.882 -10.234 -3.555 1.00 2.64 O ATOM 1348 CB ARG A 618 -7.045 -9.167 -2.686 1.00 2.74 C ATOM 1349 CG ARG A 618 -5.553 -9.093 -3.018 1.00 2.66 C ATOM 1350 CD ARG A 618 -4.980 -7.733 -2.619 1.00 3.96 C ATOM 1351 NE ARG A 618 -5.342 -6.655 -3.556 1.00 5.97 N ATOM 1352 CZ ARG A 618 -4.539 -6.070 -4.425 1.00 7.37 C ATOM 1353 NH1 ARG A 618 -3.371 -6.551 -4.746 1.00 7.17 N ATOM 1354 NH2 ARG A 618 -4.892 -4.955 -4.984 1.00 9.46 N ATOM 0 H ARG A 618 -7.335 -10.552 -4.913 1.00 2.25 H new ATOM 0 HA ARG A 618 -7.210 -11.243 -2.071 1.00 2.41 H new ATOM 0 HB2 ARG A 618 -7.591 -8.488 -3.341 1.00 2.74 H new ATOM 0 HB3 ARG A 618 -7.202 -8.820 -1.665 1.00 2.74 H new ATOM 0 HG2 ARG A 618 -5.019 -9.886 -2.495 1.00 2.66 H new ATOM 0 HG3 ARG A 618 -5.404 -9.258 -4.085 1.00 2.66 H new ATOM 0 HD2 ARG A 618 -5.336 -7.474 -1.622 1.00 3.96 H new ATOM 0 HD3 ARG A 618 -3.894 -7.806 -2.561 1.00 3.96 H new ATOM 0 HE ARG A 618 -6.308 -6.329 -3.531 1.00 5.97 H new ATOM 0 HH11 ARG A 618 -3.041 -7.417 -4.320 1.00 7.17 H new ATOM 0 HH12 ARG A 618 -2.787 -6.061 -5.424 1.00 7.17 H new ATOM 0 HH21 ARG A 618 -5.790 -4.530 -4.752 1.00 9.46 H new ATOM 0 HH22 ARG A 618 -4.272 -4.502 -5.656 1.00 9.46 H new ATOM 1368 N THR A 619 -9.562 -10.654 -1.363 1.00 2.46 N ATOM 1369 CA THR A 619 -10.934 -10.362 -0.906 1.00 2.47 C ATOM 1370 C THR A 619 -10.901 -9.511 0.372 1.00 2.32 C ATOM 1371 O THR A 619 -10.128 -9.799 1.296 1.00 2.44 O ATOM 1372 CB THR A 619 -11.761 -11.646 -0.696 1.00 2.78 C ATOM 1373 OG1 THR A 619 -11.243 -12.411 0.370 1.00 3.55 O ATOM 1374 CG2 THR A 619 -11.780 -12.564 -1.919 1.00 2.91 C ATOM 0 H THR A 619 -8.955 -10.983 -0.613 1.00 2.46 H new ATOM 0 HA THR A 619 -11.430 -9.793 -1.692 1.00 2.47 H new ATOM 0 HB THR A 619 -12.772 -11.295 -0.491 1.00 2.78 H new ATOM 0 HG1 THR A 619 -11.784 -13.220 0.486 1.00 3.55 H new ATOM 0 HG21 THR A 619 -12.380 -13.448 -1.701 1.00 2.91 H new ATOM 0 HG22 THR A 619 -12.212 -12.032 -2.767 1.00 2.91 H new ATOM 0 HG23 THR A 619 -10.762 -12.867 -2.162 1.00 2.91 H new ATOM 1382 N ALA A 620 -11.692 -8.436 0.423 1.00 2.20 N ATOM 1383 CA ALA A 620 -11.744 -7.510 1.555 1.00 2.08 C ATOM 1384 C ALA A 620 -13.092 -6.761 1.630 1.00 2.02 C ATOM 1385 O ALA A 620 -13.371 -5.867 0.827 1.00 2.24 O ATOM 1386 CB ALA A 620 -10.560 -6.536 1.435 1.00 2.14 C ATOM 0 H ALA A 620 -12.325 -8.181 -0.335 1.00 2.20 H new ATOM 0 HA ALA A 620 -11.666 -8.073 2.485 1.00 2.08 H new ATOM 0 HB1 ALA A 620 -10.579 -5.835 2.270 1.00 2.14 H new ATOM 0 HB2 ALA A 620 -9.625 -7.096 1.452 1.00 2.14 H new ATOM 0 HB3 ALA A 620 -10.636 -5.985 0.497 1.00 2.14 H new ATOM 1392 N SER A 621 -13.914 -7.092 2.630 1.00 2.07 N ATOM 1393 CA SER A 621 -15.200 -6.442 2.924 1.00 2.14 C ATOM 1394 C SER A 621 -15.001 -5.307 3.936 1.00 2.13 C ATOM 1395 O SER A 621 -14.881 -5.543 5.139 1.00 2.26 O ATOM 1396 CB SER A 621 -16.197 -7.493 3.428 1.00 2.19 C ATOM 1397 OG SER A 621 -17.468 -6.925 3.666 1.00 3.67 O ATOM 0 H SER A 621 -13.697 -7.846 3.282 1.00 2.07 H new ATOM 0 HA SER A 621 -15.608 -5.997 2.017 1.00 2.14 H new ATOM 0 HB2 SER A 621 -16.286 -8.294 2.694 1.00 2.19 H new ATOM 0 HB3 SER A 621 -15.820 -7.943 4.346 1.00 2.19 H new ATOM 0 HG SER A 621 -18.082 -7.619 3.985 1.00 3.67 H new ATOM 1403 N VAL A 622 -14.865 -4.062 3.464 1.00 1.96 N ATOM 1404 CA VAL A 622 -14.540 -2.924 4.350 1.00 1.89 C ATOM 1405 C VAL A 622 -15.057 -1.572 3.831 1.00 1.74 C ATOM 1406 O VAL A 622 -14.953 -1.254 2.643 1.00 1.59 O ATOM 1407 CB VAL A 622 -13.025 -2.910 4.671 1.00 1.88 C ATOM 1408 CG1 VAL A 622 -12.173 -3.162 3.439 1.00 1.88 C ATOM 1409 CG2 VAL A 622 -12.549 -1.598 5.289 1.00 1.79 C ATOM 0 H VAL A 622 -14.973 -3.812 2.481 1.00 1.96 H new ATOM 0 HA VAL A 622 -15.081 -3.076 5.284 1.00 1.89 H new ATOM 0 HB VAL A 622 -12.901 -3.716 5.394 1.00 1.88 H new ATOM 0 HG11 VAL A 622 -11.119 -3.142 3.715 1.00 1.88 H new ATOM 0 HG12 VAL A 622 -12.420 -4.137 3.019 1.00 1.88 H new ATOM 0 HG13 VAL A 622 -12.368 -2.388 2.697 1.00 1.88 H new ATOM 0 HG21 VAL A 622 -11.479 -1.657 5.489 1.00 1.79 H new ATOM 0 HG22 VAL A 622 -12.745 -0.778 4.598 1.00 1.79 H new ATOM 0 HG23 VAL A 622 -13.083 -1.421 6.223 1.00 1.79 H new ATOM 1419 N ARG A 623 -15.572 -0.748 4.753 1.00 1.77 N ATOM 1420 CA ARG A 623 -16.136 0.591 4.518 1.00 1.67 C ATOM 1421 C ARG A 623 -15.551 1.639 5.468 1.00 1.60 C ATOM 1422 O ARG A 623 -14.983 1.304 6.506 1.00 1.62 O ATOM 1423 CB ARG A 623 -17.679 0.552 4.555 1.00 1.80 C ATOM 1424 CG ARG A 623 -18.327 0.428 5.948 1.00 2.04 C ATOM 1425 CD ARG A 623 -18.311 -0.976 6.569 1.00 1.23 C ATOM 1426 NE ARG A 623 -19.236 -1.902 5.903 1.00 2.03 N ATOM 1427 CZ ARG A 623 -19.237 -3.211 6.053 1.00 2.86 C ATOM 1428 NH1 ARG A 623 -18.536 -3.839 6.951 1.00 2.92 N ATOM 1429 NH2 ARG A 623 -19.946 -3.966 5.275 1.00 4.47 N ATOM 0 H ARG A 623 -15.609 -1.011 5.738 1.00 1.77 H new ATOM 0 HA ARG A 623 -15.844 0.903 3.515 1.00 1.67 H new ATOM 0 HB2 ARG A 623 -18.055 1.459 4.082 1.00 1.80 H new ATOM 0 HB3 ARG A 623 -18.014 -0.287 3.946 1.00 1.80 H new ATOM 0 HG2 ARG A 623 -17.817 1.111 6.627 1.00 2.04 H new ATOM 0 HG3 ARG A 623 -19.362 0.762 5.878 1.00 2.04 H new ATOM 0 HD2 ARG A 623 -17.300 -1.380 6.518 1.00 1.23 H new ATOM 0 HD3 ARG A 623 -18.573 -0.905 7.625 1.00 1.23 H new ATOM 0 HE ARG A 623 -19.932 -1.500 5.275 1.00 2.03 H new ATOM 0 HH11 ARG A 623 -17.940 -3.314 7.592 1.00 2.92 H new ATOM 0 HH12 ARG A 623 -18.582 -4.856 7.014 1.00 2.92 H new ATOM 0 HH21 ARG A 623 -20.512 -3.548 4.536 1.00 4.47 H new ATOM 0 HH22 ARG A 623 -19.938 -4.978 5.401 1.00 4.47 H new ATOM 1443 N ALA A 624 -15.677 2.919 5.144 1.00 1.52 N ATOM 1444 CA ALA A 624 -15.220 3.977 6.043 1.00 1.42 C ATOM 1445 C ALA A 624 -16.191 4.200 7.229 1.00 1.59 C ATOM 1446 O ALA A 624 -17.413 4.123 7.076 1.00 1.62 O ATOM 1447 CB ALA A 624 -14.942 5.236 5.223 1.00 1.15 C ATOM 0 H ALA A 624 -16.089 3.251 4.272 1.00 1.52 H new ATOM 0 HA ALA A 624 -14.287 3.676 6.519 1.00 1.42 H new ATOM 0 HB1 ALA A 624 -14.600 6.033 5.884 1.00 1.15 H new ATOM 0 HB2 ALA A 624 -14.172 5.024 4.481 1.00 1.15 H new ATOM 0 HB3 ALA A 624 -15.855 5.550 4.718 1.00 1.15 H new ATOM 1453 N ASP A 625 -15.660 4.518 8.417 1.00 1.74 N ATOM 1454 CA ASP A 625 -16.464 4.977 9.573 1.00 1.95 C ATOM 1455 C ASP A 625 -16.915 6.440 9.408 1.00 2.07 C ATOM 1456 O ASP A 625 -17.896 6.902 9.991 1.00 2.25 O ATOM 1457 CB ASP A 625 -15.597 4.875 10.842 1.00 2.11 C ATOM 1458 CG ASP A 625 -16.357 5.184 12.139 1.00 2.82 C ATOM 1459 OD1 ASP A 625 -17.478 4.650 12.340 1.00 3.49 O ATOM 1460 OD2 ASP A 625 -15.824 5.951 12.977 1.00 3.62 O ATOM 0 H ASP A 625 -14.660 4.466 8.611 1.00 1.74 H new ATOM 0 HA ASP A 625 -17.353 4.350 9.643 1.00 1.95 H new ATOM 0 HB2 ASP A 625 -15.181 3.870 10.907 1.00 2.11 H new ATOM 0 HB3 ASP A 625 -14.756 5.563 10.752 1.00 2.11 H new ATOM 1465 N THR A 626 -16.122 7.163 8.625 1.00 2.00 N ATOM 1466 CA THR A 626 -15.909 8.615 8.639 1.00 1.91 C ATOM 1467 C THR A 626 -15.309 9.038 7.286 1.00 1.73 C ATOM 1468 O THR A 626 -15.043 8.185 6.443 1.00 1.70 O ATOM 1469 CB THR A 626 -14.965 8.949 9.814 1.00 1.90 C ATOM 1470 OG1 THR A 626 -14.676 10.324 9.910 1.00 1.83 O ATOM 1471 CG2 THR A 626 -13.626 8.206 9.762 1.00 1.84 C ATOM 0 H THR A 626 -15.561 6.715 7.900 1.00 2.00 H new ATOM 0 HA THR A 626 -16.843 9.159 8.778 1.00 1.91 H new ATOM 0 HB THR A 626 -15.527 8.618 10.688 1.00 1.90 H new ATOM 0 HG1 THR A 626 -14.077 10.480 10.670 1.00 1.83 H new ATOM 0 HG21 THR A 626 -13.017 8.492 10.620 1.00 1.84 H new ATOM 0 HG22 THR A 626 -13.805 7.131 9.787 1.00 1.84 H new ATOM 0 HG23 THR A 626 -13.102 8.465 8.842 1.00 1.84 H new ATOM 1479 N TYR A 627 -15.054 10.326 7.056 1.00 1.63 N ATOM 1480 CA TYR A 627 -14.193 10.763 5.949 1.00 1.40 C ATOM 1481 C TYR A 627 -12.741 10.307 6.206 1.00 1.26 C ATOM 1482 O TYR A 627 -12.163 10.570 7.270 1.00 1.33 O ATOM 1483 CB TYR A 627 -14.367 12.277 5.739 1.00 1.55 C ATOM 1484 CG TYR A 627 -13.151 13.072 5.294 1.00 1.34 C ATOM 1485 CD1 TYR A 627 -12.238 13.548 6.258 1.00 1.75 C ATOM 1486 CD2 TYR A 627 -12.972 13.405 3.939 1.00 2.48 C ATOM 1487 CE1 TYR A 627 -11.142 14.342 5.868 1.00 2.21 C ATOM 1488 CE2 TYR A 627 -11.871 14.196 3.544 1.00 2.49 C ATOM 1489 CZ TYR A 627 -10.953 14.669 4.508 1.00 1.92 C ATOM 1490 OH TYR A 627 -9.904 15.454 4.136 1.00 2.44 O ATOM 0 H TYR A 627 -15.430 11.088 7.620 1.00 1.63 H new ATOM 0 HA TYR A 627 -14.483 10.294 5.009 1.00 1.40 H new ATOM 0 HB2 TYR A 627 -15.154 12.425 4.999 1.00 1.55 H new ATOM 0 HB3 TYR A 627 -14.725 12.707 6.675 1.00 1.55 H new ATOM 0 HD1 TYR A 627 -12.380 13.302 7.300 1.00 1.75 H new ATOM 0 HD2 TYR A 627 -13.678 13.055 3.200 1.00 2.48 H new ATOM 0 HE1 TYR A 627 -10.445 14.701 6.611 1.00 2.21 H new ATOM 0 HE2 TYR A 627 -11.730 14.440 2.501 1.00 2.49 H new ATOM 0 HH TYR A 627 -9.919 15.581 3.164 1.00 2.44 H new ATOM 1500 N CYS A 628 -12.169 9.583 5.239 1.00 1.20 N ATOM 1501 CA CYS A 628 -10.856 8.948 5.335 1.00 1.13 C ATOM 1502 C CYS A 628 -10.027 9.193 4.063 1.00 1.08 C ATOM 1503 O CYS A 628 -10.432 8.818 2.960 1.00 1.04 O ATOM 1504 CB CYS A 628 -11.056 7.447 5.609 1.00 1.10 C ATOM 1505 SG CYS A 628 -9.527 6.696 6.224 1.00 1.97 S ATOM 0 H CYS A 628 -12.623 9.419 4.341 1.00 1.20 H new ATOM 0 HA CYS A 628 -10.293 9.388 6.158 1.00 1.13 H new ATOM 0 HB2 CYS A 628 -11.853 7.309 6.339 1.00 1.10 H new ATOM 0 HB3 CYS A 628 -11.371 6.945 4.694 1.00 1.10 H new ATOM 0 HG CYS A 628 -9.576 5.409 6.051 1.00 1.97 H new ATOM 1511 N ARG A 629 -8.846 9.800 4.226 1.00 1.16 N ATOM 1512 CA ARG A 629 -7.823 9.970 3.186 1.00 1.13 C ATOM 1513 C ARG A 629 -7.013 8.682 3.071 1.00 1.15 C ATOM 1514 O ARG A 629 -6.272 8.312 3.988 1.00 1.15 O ATOM 1515 CB ARG A 629 -6.899 11.148 3.550 1.00 1.19 C ATOM 1516 CG ARG A 629 -7.584 12.525 3.491 1.00 1.71 C ATOM 1517 CD ARG A 629 -7.161 13.341 2.262 1.00 1.88 C ATOM 1518 NE ARG A 629 -5.765 13.807 2.368 1.00 2.50 N ATOM 1519 CZ ARG A 629 -5.217 14.874 1.817 1.00 3.43 C ATOM 1520 NH1 ARG A 629 -5.863 15.722 1.075 1.00 4.01 N ATOM 1521 NH2 ARG A 629 -3.962 15.119 2.025 1.00 4.24 N ATOM 0 H ARG A 629 -8.565 10.202 5.120 1.00 1.16 H new ATOM 0 HA ARG A 629 -8.300 10.185 2.230 1.00 1.13 H new ATOM 0 HB2 ARG A 629 -6.507 10.992 4.555 1.00 1.19 H new ATOM 0 HB3 ARG A 629 -6.045 11.149 2.872 1.00 1.19 H new ATOM 0 HG2 ARG A 629 -8.665 12.389 3.478 1.00 1.71 H new ATOM 0 HG3 ARG A 629 -7.344 13.085 4.395 1.00 1.71 H new ATOM 0 HD2 ARG A 629 -7.274 12.732 1.365 1.00 1.88 H new ATOM 0 HD3 ARG A 629 -7.823 14.199 2.150 1.00 1.88 H new ATOM 0 HE ARG A 629 -5.145 13.232 2.939 1.00 2.50 H new ATOM 0 HH11 ARG A 629 -6.856 15.583 0.888 1.00 4.01 H new ATOM 0 HH12 ARG A 629 -5.377 16.527 0.680 1.00 4.01 H new ATOM 0 HH21 ARG A 629 -3.410 14.491 2.609 1.00 4.24 H new ATOM 0 HH22 ARG A 629 -3.526 15.940 1.605 1.00 4.24 H new ATOM 1535 N LEU A 630 -7.127 8.024 1.929 1.00 1.20 N ATOM 1536 CA LEU A 630 -6.303 6.884 1.539 1.00 1.15 C ATOM 1537 C LEU A 630 -5.253 7.316 0.520 1.00 1.12 C ATOM 1538 O LEU A 630 -5.388 8.335 -0.157 1.00 1.21 O ATOM 1539 CB LEU A 630 -7.173 5.739 0.994 1.00 1.12 C ATOM 1540 CG LEU A 630 -8.248 5.210 1.958 1.00 1.09 C ATOM 1541 CD1 LEU A 630 -8.770 3.881 1.424 1.00 1.03 C ATOM 1542 CD2 LEU A 630 -7.720 4.934 3.362 1.00 1.06 C ATOM 0 H LEU A 630 -7.818 8.275 1.222 1.00 1.20 H new ATOM 0 HA LEU A 630 -5.786 6.510 2.423 1.00 1.15 H new ATOM 0 HB2 LEU A 630 -7.663 6.080 0.082 1.00 1.12 H new ATOM 0 HB3 LEU A 630 -6.521 4.911 0.715 1.00 1.12 H new ATOM 0 HG LEU A 630 -9.014 5.983 2.020 1.00 1.09 H new ATOM 0 HD11 LEU A 630 -9.534 3.493 2.098 1.00 1.03 H new ATOM 0 HD12 LEU A 630 -9.201 4.031 0.434 1.00 1.03 H new ATOM 0 HD13 LEU A 630 -7.949 3.168 1.358 1.00 1.03 H new ATOM 0 HD21 LEU A 630 -8.531 4.564 3.989 1.00 1.06 H new ATOM 0 HD22 LEU A 630 -6.929 4.186 3.313 1.00 1.06 H new ATOM 0 HD23 LEU A 630 -7.323 5.855 3.789 1.00 1.06 H new ATOM 1554 N TYR A 631 -4.197 6.524 0.411 1.00 1.02 N ATOM 1555 CA TYR A 631 -3.141 6.715 -0.570 1.00 0.96 C ATOM 1556 C TYR A 631 -2.769 5.374 -1.220 1.00 0.85 C ATOM 1557 O TYR A 631 -3.074 4.309 -0.677 1.00 0.99 O ATOM 1558 CB TYR A 631 -1.985 7.542 0.037 1.00 1.19 C ATOM 1559 CG TYR A 631 -1.095 7.013 1.155 1.00 2.10 C ATOM 1560 CD1 TYR A 631 -1.633 6.505 2.352 1.00 3.88 C ATOM 1561 CD2 TYR A 631 0.302 7.182 1.055 1.00 2.71 C ATOM 1562 CE1 TYR A 631 -0.793 6.113 3.412 1.00 5.24 C ATOM 1563 CE2 TYR A 631 1.151 6.815 2.119 1.00 4.11 C ATOM 1564 CZ TYR A 631 0.604 6.263 3.294 1.00 5.13 C ATOM 1565 OH TYR A 631 1.410 5.885 4.319 1.00 6.67 O ATOM 0 H TYR A 631 -4.048 5.715 1.014 1.00 1.02 H new ATOM 0 HA TYR A 631 -3.484 7.324 -1.406 1.00 0.96 H new ATOM 0 HB2 TYR A 631 -1.324 7.806 -0.789 1.00 1.19 H new ATOM 0 HB3 TYR A 631 -2.425 8.470 0.402 1.00 1.19 H new ATOM 0 HD1 TYR A 631 -2.704 6.415 2.459 1.00 3.88 H new ATOM 0 HD2 TYR A 631 0.726 7.597 0.153 1.00 2.71 H new ATOM 0 HE1 TYR A 631 -1.218 5.698 4.314 1.00 5.24 H new ATOM 0 HE2 TYR A 631 2.218 6.957 2.033 1.00 4.11 H new ATOM 0 HH TYR A 631 2.279 5.603 3.965 1.00 6.67 H new ATOM 1575 N SER A 632 -2.170 5.405 -2.411 1.00 0.91 N ATOM 1576 CA SER A 632 -1.742 4.189 -3.124 1.00 1.23 C ATOM 1577 C SER A 632 -0.434 4.330 -3.912 1.00 1.23 C ATOM 1578 O SER A 632 -0.033 5.428 -4.312 1.00 1.39 O ATOM 1579 CB SER A 632 -2.859 3.684 -4.046 1.00 1.71 C ATOM 1580 OG SER A 632 -3.154 4.637 -5.049 1.00 1.70 O ATOM 0 H SER A 632 -1.966 6.269 -2.912 1.00 0.91 H new ATOM 0 HA SER A 632 -1.536 3.459 -2.341 1.00 1.23 H new ATOM 0 HB2 SER A 632 -2.557 2.744 -4.509 1.00 1.71 H new ATOM 0 HB3 SER A 632 -3.755 3.478 -3.460 1.00 1.71 H new ATOM 0 HG SER A 632 -3.868 4.294 -5.627 1.00 1.70 H new ATOM 1586 N LEU A 633 0.236 3.194 -4.148 1.00 1.17 N ATOM 1587 CA LEU A 633 1.568 3.115 -4.760 1.00 1.23 C ATOM 1588 C LEU A 633 1.588 2.089 -5.912 1.00 1.09 C ATOM 1589 O LEU A 633 1.294 0.910 -5.706 1.00 1.06 O ATOM 1590 CB LEU A 633 2.591 2.818 -3.643 1.00 1.39 C ATOM 1591 CG LEU A 633 4.011 3.353 -3.911 1.00 1.56 C ATOM 1592 CD1 LEU A 633 4.858 3.185 -2.648 1.00 1.77 C ATOM 1593 CD2 LEU A 633 4.730 2.635 -5.056 1.00 1.93 C ATOM 0 H LEU A 633 -0.146 2.278 -3.911 1.00 1.17 H new ATOM 0 HA LEU A 633 1.841 4.063 -5.224 1.00 1.23 H new ATOM 0 HB2 LEU A 633 2.225 3.248 -2.711 1.00 1.39 H new ATOM 0 HB3 LEU A 633 2.646 1.739 -3.497 1.00 1.39 H new ATOM 0 HG LEU A 633 3.896 4.399 -4.195 1.00 1.56 H new ATOM 0 HD11 LEU A 633 5.864 3.562 -2.832 1.00 1.77 H new ATOM 0 HD12 LEU A 633 4.405 3.744 -1.829 1.00 1.77 H new ATOM 0 HD13 LEU A 633 4.909 2.129 -2.382 1.00 1.77 H new ATOM 0 HD21 LEU A 633 5.723 3.064 -5.188 1.00 1.93 H new ATOM 0 HD22 LEU A 633 4.821 1.575 -4.820 1.00 1.93 H new ATOM 0 HD23 LEU A 633 4.158 2.754 -5.976 1.00 1.93 H new ATOM 1605 N SER A 634 1.935 2.538 -7.124 1.00 1.12 N ATOM 1606 CA SER A 634 2.022 1.696 -8.325 1.00 1.10 C ATOM 1607 C SER A 634 3.360 0.947 -8.470 1.00 1.11 C ATOM 1608 O SER A 634 4.442 1.542 -8.467 1.00 1.06 O ATOM 1609 CB SER A 634 1.696 2.515 -9.586 1.00 1.11 C ATOM 1610 OG SER A 634 2.509 3.672 -9.742 1.00 2.45 O ATOM 0 H SER A 634 2.168 3.515 -7.302 1.00 1.12 H new ATOM 0 HA SER A 634 1.270 0.917 -8.204 1.00 1.10 H new ATOM 0 HB2 SER A 634 1.814 1.878 -10.463 1.00 1.11 H new ATOM 0 HB3 SER A 634 0.650 2.819 -9.551 1.00 1.11 H new ATOM 0 HG SER A 634 2.252 4.145 -10.561 1.00 2.45 H new ATOM 1616 N VAL A 635 3.298 -0.370 -8.702 1.00 1.24 N ATOM 1617 CA VAL A 635 4.478 -1.199 -9.045 1.00 1.37 C ATOM 1618 C VAL A 635 5.052 -0.822 -10.409 1.00 1.25 C ATOM 1619 O VAL A 635 6.262 -0.911 -10.626 1.00 1.47 O ATOM 1620 CB VAL A 635 4.234 -2.715 -8.914 1.00 1.58 C ATOM 1621 CG1 VAL A 635 2.845 -3.158 -9.266 1.00 1.52 C ATOM 1622 CG2 VAL A 635 5.225 -3.597 -9.684 1.00 2.57 C ATOM 0 H VAL A 635 2.428 -0.900 -8.659 1.00 1.24 H new ATOM 0 HA VAL A 635 5.232 -0.967 -8.293 1.00 1.37 H new ATOM 0 HB VAL A 635 4.392 -2.862 -7.846 1.00 1.58 H new ATOM 0 HG11 VAL A 635 2.766 -4.238 -9.145 1.00 1.52 H new ATOM 0 HG12 VAL A 635 2.128 -2.666 -8.609 1.00 1.52 H new ATOM 0 HG13 VAL A 635 2.630 -2.893 -10.301 1.00 1.52 H new ATOM 0 HG21 VAL A 635 4.973 -4.646 -9.531 1.00 2.57 H new ATOM 0 HG22 VAL A 635 5.171 -3.362 -10.747 1.00 2.57 H new ATOM 0 HG23 VAL A 635 6.236 -3.410 -9.322 1.00 2.57 H new ATOM 1632 N ASP A 636 4.213 -0.311 -11.308 1.00 1.04 N ATOM 1633 CA ASP A 636 4.661 0.204 -12.603 1.00 1.19 C ATOM 1634 C ASP A 636 5.680 1.345 -12.443 1.00 1.16 C ATOM 1635 O ASP A 636 6.591 1.472 -13.265 1.00 1.47 O ATOM 1636 CB ASP A 636 3.457 0.725 -13.393 1.00 1.30 C ATOM 1637 CG ASP A 636 2.305 -0.280 -13.450 1.00 1.62 C ATOM 1638 OD1 ASP A 636 2.472 -1.369 -14.045 1.00 1.96 O ATOM 1639 OD2 ASP A 636 1.232 0.014 -12.873 1.00 3.08 O ATOM 0 H ASP A 636 3.206 -0.242 -11.161 1.00 1.04 H new ATOM 0 HA ASP A 636 5.144 -0.616 -13.134 1.00 1.19 H new ATOM 0 HB2 ASP A 636 3.103 1.651 -12.939 1.00 1.30 H new ATOM 0 HB3 ASP A 636 3.772 0.968 -14.408 1.00 1.30 H new ATOM 1644 N ASN A 637 5.557 2.137 -11.365 1.00 0.92 N ATOM 1645 CA ASN A 637 6.528 3.162 -10.996 1.00 0.88 C ATOM 1646 C ASN A 637 7.677 2.600 -10.148 1.00 0.93 C ATOM 1647 O ASN A 637 8.817 2.990 -10.367 1.00 1.13 O ATOM 1648 CB ASN A 637 5.822 4.325 -10.286 1.00 0.98 C ATOM 1649 CG ASN A 637 6.690 5.569 -10.315 1.00 2.63 C ATOM 1650 OD1 ASN A 637 7.286 5.977 -9.330 1.00 4.37 O ATOM 1651 ND2 ASN A 637 6.762 6.200 -11.459 1.00 2.55 N ATOM 0 H ASN A 637 4.768 2.077 -10.722 1.00 0.92 H new ATOM 0 HA ASN A 637 6.982 3.536 -11.914 1.00 0.88 H new ATOM 0 HB2 ASN A 637 4.867 4.529 -10.770 1.00 0.98 H new ATOM 0 HB3 ASN A 637 5.604 4.050 -9.254 1.00 0.98 H new ATOM 0 HD21 ASN A 637 7.323 7.048 -11.539 1.00 2.55 H new ATOM 0 HD22 ASN A 637 6.257 5.844 -12.271 1.00 2.55 H new ATOM 1658 N PHE A 638 7.429 1.632 -9.257 1.00 0.90 N ATOM 1659 CA PHE A 638 8.495 0.900 -8.546 1.00 1.08 C ATOM 1660 C PHE A 638 9.584 0.393 -9.517 1.00 1.32 C ATOM 1661 O PHE A 638 10.777 0.575 -9.276 1.00 1.33 O ATOM 1662 CB PHE A 638 7.896 -0.256 -7.745 1.00 1.38 C ATOM 1663 CG PHE A 638 8.832 -0.766 -6.666 1.00 1.64 C ATOM 1664 CD1 PHE A 638 9.886 -1.642 -6.991 1.00 2.90 C ATOM 1665 CD2 PHE A 638 8.628 -0.389 -5.325 1.00 1.73 C ATOM 1666 CE1 PHE A 638 10.733 -2.125 -5.981 1.00 3.16 C ATOM 1667 CE2 PHE A 638 9.458 -0.898 -4.313 1.00 1.92 C ATOM 1668 CZ PHE A 638 10.517 -1.760 -4.640 1.00 2.24 C ATOM 0 H PHE A 638 6.487 1.332 -9.006 1.00 0.90 H new ATOM 0 HA PHE A 638 8.977 1.593 -7.856 1.00 1.08 H new ATOM 0 HB2 PHE A 638 6.963 0.070 -7.286 1.00 1.38 H new ATOM 0 HB3 PHE A 638 7.650 -1.073 -8.423 1.00 1.38 H new ATOM 0 HD1 PHE A 638 10.042 -1.942 -8.017 1.00 2.90 H new ATOM 0 HD2 PHE A 638 7.830 0.294 -5.074 1.00 1.73 H new ATOM 0 HE1 PHE A 638 11.554 -2.779 -6.235 1.00 3.16 H new ATOM 0 HE2 PHE A 638 9.282 -0.626 -3.283 1.00 1.92 H new ATOM 0 HZ PHE A 638 11.164 -2.142 -3.864 1.00 2.24 H new ATOM 1678 N ASN A 639 9.167 -0.159 -10.664 1.00 1.58 N ATOM 1679 CA ASN A 639 10.038 -0.621 -11.752 1.00 1.92 C ATOM 1680 C ASN A 639 10.822 0.511 -12.464 1.00 1.93 C ATOM 1681 O ASN A 639 11.867 0.238 -13.062 1.00 2.17 O ATOM 1682 CB ASN A 639 9.172 -1.418 -12.751 1.00 2.17 C ATOM 1683 CG ASN A 639 8.896 -2.832 -12.300 1.00 2.37 C ATOM 1684 OD1 ASN A 639 9.686 -3.742 -12.529 1.00 2.97 O ATOM 1685 ND2 ASN A 639 7.805 -3.081 -11.633 1.00 2.13 N ATOM 0 H ASN A 639 8.178 -0.301 -10.867 1.00 1.58 H new ATOM 0 HA ASN A 639 10.812 -1.252 -11.316 1.00 1.92 H new ATOM 0 HB2 ASN A 639 8.225 -0.898 -12.897 1.00 2.17 H new ATOM 0 HB3 ASN A 639 9.674 -1.443 -13.718 1.00 2.17 H new ATOM 0 HD21 ASN A 639 7.613 -4.027 -11.305 1.00 2.13 H new ATOM 0 HD22 ASN A 639 7.143 -2.329 -11.439 1.00 2.13 H new ATOM 1692 N GLU A 640 10.364 1.764 -12.397 1.00 1.75 N ATOM 1693 CA GLU A 640 11.030 2.954 -12.955 1.00 1.83 C ATOM 1694 C GLU A 640 12.102 3.526 -12.019 1.00 1.72 C ATOM 1695 O GLU A 640 13.233 3.755 -12.444 1.00 1.80 O ATOM 1696 CB GLU A 640 9.989 4.051 -13.245 1.00 1.82 C ATOM 1697 CG GLU A 640 9.236 3.860 -14.567 1.00 1.76 C ATOM 1698 CD GLU A 640 10.128 4.032 -15.801 1.00 2.45 C ATOM 1699 OE1 GLU A 640 10.626 5.158 -16.043 1.00 3.42 O ATOM 1700 OE2 GLU A 640 10.326 3.037 -16.544 1.00 2.98 O ATOM 0 H GLU A 640 9.484 1.991 -11.935 1.00 1.75 H new ATOM 0 HA GLU A 640 11.522 2.635 -13.874 1.00 1.83 H new ATOM 0 HB2 GLU A 640 9.268 4.079 -12.428 1.00 1.82 H new ATOM 0 HB3 GLU A 640 10.490 5.019 -13.260 1.00 1.82 H new ATOM 0 HG2 GLU A 640 8.792 2.865 -14.584 1.00 1.76 H new ATOM 0 HG3 GLU A 640 8.416 4.576 -14.617 1.00 1.76 H new ATOM 1707 N VAL A 641 11.787 3.741 -10.740 1.00 1.56 N ATOM 1708 CA VAL A 641 12.757 4.268 -9.754 1.00 1.46 C ATOM 1709 C VAL A 641 13.843 3.243 -9.407 1.00 1.53 C ATOM 1710 O VAL A 641 14.977 3.604 -9.096 1.00 1.56 O ATOM 1711 CB VAL A 641 12.027 4.869 -8.538 1.00 1.23 C ATOM 1712 CG1 VAL A 641 10.862 4.034 -8.007 1.00 1.21 C ATOM 1713 CG2 VAL A 641 12.928 5.249 -7.363 1.00 1.00 C ATOM 0 H VAL A 641 10.861 3.559 -10.352 1.00 1.56 H new ATOM 0 HA VAL A 641 13.305 5.093 -10.209 1.00 1.46 H new ATOM 0 HB VAL A 641 11.626 5.785 -8.973 1.00 1.23 H new ATOM 0 HG11 VAL A 641 10.412 4.539 -7.152 1.00 1.21 H new ATOM 0 HG12 VAL A 641 10.115 3.912 -8.791 1.00 1.21 H new ATOM 0 HG13 VAL A 641 11.227 3.054 -7.699 1.00 1.21 H new ATOM 0 HG21 VAL A 641 12.321 5.662 -6.558 1.00 1.00 H new ATOM 0 HG22 VAL A 641 13.451 4.363 -7.004 1.00 1.00 H new ATOM 0 HG23 VAL A 641 13.655 5.993 -7.688 1.00 1.00 H new ATOM 1723 N LEU A 642 13.539 1.957 -9.587 1.00 1.65 N ATOM 1724 CA LEU A 642 14.525 0.862 -9.563 1.00 1.85 C ATOM 1725 C LEU A 642 15.700 1.009 -10.550 1.00 2.07 C ATOM 1726 O LEU A 642 16.768 0.447 -10.302 1.00 2.06 O ATOM 1727 CB LEU A 642 13.833 -0.494 -9.825 1.00 1.98 C ATOM 1728 CG LEU A 642 13.557 -1.347 -8.576 1.00 1.91 C ATOM 1729 CD1 LEU A 642 13.034 -2.715 -9.017 1.00 2.25 C ATOM 1730 CD2 LEU A 642 14.833 -1.586 -7.766 1.00 2.57 C ATOM 0 H LEU A 642 12.586 1.636 -9.757 1.00 1.65 H new ATOM 0 HA LEU A 642 14.955 0.910 -8.562 1.00 1.85 H new ATOM 0 HB2 LEU A 642 12.887 -0.307 -10.333 1.00 1.98 H new ATOM 0 HB3 LEU A 642 14.453 -1.073 -10.509 1.00 1.98 H new ATOM 0 HG LEU A 642 12.833 -0.813 -7.960 1.00 1.91 H new ATOM 0 HD11 LEU A 642 12.835 -3.329 -8.139 1.00 2.25 H new ATOM 0 HD12 LEU A 642 12.113 -2.586 -9.586 1.00 2.25 H new ATOM 0 HD13 LEU A 642 13.781 -3.206 -9.641 1.00 2.25 H new ATOM 0 HD21 LEU A 642 14.600 -2.192 -6.891 1.00 2.57 H new ATOM 0 HD22 LEU A 642 15.564 -2.107 -8.384 1.00 2.57 H new ATOM 0 HD23 LEU A 642 15.245 -0.629 -7.445 1.00 2.57 H new ATOM 1742 N GLU A 643 15.545 1.733 -11.662 1.00 2.30 N ATOM 1743 CA GLU A 643 16.612 1.948 -12.653 1.00 2.53 C ATOM 1744 C GLU A 643 17.872 2.587 -12.058 1.00 2.09 C ATOM 1745 O GLU A 643 18.982 2.326 -12.519 1.00 2.01 O ATOM 1746 CB GLU A 643 16.082 2.893 -13.732 1.00 3.24 C ATOM 1747 CG GLU A 643 14.922 2.277 -14.520 1.00 3.47 C ATOM 1748 CD GLU A 643 15.418 1.464 -15.714 1.00 3.67 C ATOM 1749 OE1 GLU A 643 16.108 2.015 -16.605 1.00 4.80 O ATOM 1750 OE2 GLU A 643 15.115 0.248 -15.764 1.00 3.26 O ATOM 0 H GLU A 643 14.668 2.193 -11.905 1.00 2.30 H new ATOM 0 HA GLU A 643 16.887 0.969 -13.045 1.00 2.53 H new ATOM 0 HB2 GLU A 643 15.751 3.822 -13.268 1.00 3.24 H new ATOM 0 HB3 GLU A 643 16.890 3.149 -14.418 1.00 3.24 H new ATOM 0 HG2 GLU A 643 14.335 1.636 -13.862 1.00 3.47 H new ATOM 0 HG3 GLU A 643 14.259 3.068 -14.869 1.00 3.47 H new ATOM 1757 N GLU A 644 17.705 3.419 -11.037 1.00 1.88 N ATOM 1758 CA GLU A 644 18.744 4.234 -10.412 1.00 1.74 C ATOM 1759 C GLU A 644 19.609 3.462 -9.397 1.00 1.45 C ATOM 1760 O GLU A 644 20.704 3.908 -9.031 1.00 1.44 O ATOM 1761 CB GLU A 644 17.991 5.362 -9.723 1.00 1.68 C ATOM 1762 CG GLU A 644 17.231 6.249 -10.712 1.00 1.96 C ATOM 1763 CD GLU A 644 18.158 7.210 -11.443 1.00 2.10 C ATOM 1764 OE1 GLU A 644 18.675 8.145 -10.785 1.00 3.10 O ATOM 1765 OE2 GLU A 644 18.400 7.005 -12.660 1.00 2.01 O ATOM 0 H GLU A 644 16.794 3.551 -10.598 1.00 1.88 H new ATOM 0 HA GLU A 644 19.453 4.583 -11.163 1.00 1.74 H new ATOM 0 HB2 GLU A 644 17.288 4.940 -9.004 1.00 1.68 H new ATOM 0 HB3 GLU A 644 18.695 5.973 -9.159 1.00 1.68 H new ATOM 0 HG2 GLU A 644 16.713 5.622 -11.438 1.00 1.96 H new ATOM 0 HG3 GLU A 644 16.468 6.816 -10.179 1.00 1.96 H new ATOM 1772 N TYR A 645 19.097 2.310 -8.947 1.00 1.34 N ATOM 1773 CA TYR A 645 19.615 1.504 -7.836 1.00 1.15 C ATOM 1774 C TYR A 645 19.720 0.005 -8.196 1.00 1.32 C ATOM 1775 O TYR A 645 18.962 -0.815 -7.664 1.00 1.38 O ATOM 1776 CB TYR A 645 18.773 1.762 -6.571 1.00 1.01 C ATOM 1777 CG TYR A 645 18.690 3.229 -6.192 1.00 0.94 C ATOM 1778 CD1 TYR A 645 19.708 3.836 -5.431 1.00 2.36 C ATOM 1779 CD2 TYR A 645 17.620 4.007 -6.672 1.00 1.65 C ATOM 1780 CE1 TYR A 645 19.680 5.225 -5.196 1.00 2.54 C ATOM 1781 CE2 TYR A 645 17.580 5.392 -6.426 1.00 1.53 C ATOM 1782 CZ TYR A 645 18.627 6.009 -5.717 1.00 1.15 C ATOM 1783 OH TYR A 645 18.632 7.361 -5.589 1.00 1.34 O ATOM 0 H TYR A 645 18.267 1.894 -9.370 1.00 1.34 H new ATOM 0 HA TYR A 645 20.638 1.816 -7.627 1.00 1.15 H new ATOM 0 HB2 TYR A 645 17.765 1.378 -6.729 1.00 1.01 H new ATOM 0 HB3 TYR A 645 19.200 1.203 -5.739 1.00 1.01 H new ATOM 0 HD1 TYR A 645 20.510 3.236 -5.027 1.00 2.36 H new ATOM 0 HD2 TYR A 645 16.825 3.538 -7.233 1.00 1.65 H new ATOM 0 HE1 TYR A 645 20.464 5.690 -4.617 1.00 2.54 H new ATOM 0 HE2 TYR A 645 16.747 5.980 -6.781 1.00 1.53 H new ATOM 0 HH TYR A 645 17.828 7.732 -6.009 1.00 1.34 H new ATOM 1793 N PRO A 646 20.650 -0.391 -9.094 1.00 1.45 N ATOM 1794 CA PRO A 646 20.826 -1.785 -9.517 1.00 1.63 C ATOM 1795 C PRO A 646 21.042 -2.786 -8.367 1.00 1.61 C ATOM 1796 O PRO A 646 20.573 -3.919 -8.491 1.00 1.67 O ATOM 1797 CB PRO A 646 22.002 -1.776 -10.506 1.00 1.77 C ATOM 1798 CG PRO A 646 22.745 -0.477 -10.198 1.00 1.64 C ATOM 1799 CD PRO A 646 21.611 0.458 -9.788 1.00 1.48 C ATOM 0 HA PRO A 646 19.905 -2.144 -9.976 1.00 1.63 H new ATOM 0 HB2 PRO A 646 22.645 -2.645 -10.367 1.00 1.77 H new ATOM 0 HB3 PRO A 646 21.654 -1.800 -11.539 1.00 1.77 H new ATOM 0 HG2 PRO A 646 23.475 -0.606 -9.399 1.00 1.64 H new ATOM 0 HG3 PRO A 646 23.287 -0.103 -11.067 1.00 1.64 H new ATOM 0 HD2 PRO A 646 21.973 1.256 -9.139 1.00 1.48 H new ATOM 0 HD3 PRO A 646 21.159 0.935 -10.658 1.00 1.48 H new ATOM 1807 N MET A 647 21.616 -2.379 -7.219 1.00 1.55 N ATOM 1808 CA MET A 647 21.653 -3.197 -5.986 1.00 1.57 C ATOM 1809 C MET A 647 20.283 -3.787 -5.660 1.00 1.63 C ATOM 1810 O MET A 647 20.156 -4.966 -5.320 1.00 1.80 O ATOM 1811 CB MET A 647 22.083 -2.322 -4.789 1.00 1.48 C ATOM 1812 CG MET A 647 21.779 -2.956 -3.413 1.00 1.52 C ATOM 1813 SD MET A 647 22.064 -1.871 -1.997 1.00 1.45 S ATOM 1814 CE MET A 647 20.508 -0.940 -2.064 1.00 1.35 C ATOM 0 H MET A 647 22.069 -1.471 -7.118 1.00 1.55 H new ATOM 0 HA MET A 647 22.363 -4.006 -6.158 1.00 1.57 H new ATOM 0 HB2 MET A 647 23.153 -2.126 -4.860 1.00 1.48 H new ATOM 0 HB3 MET A 647 21.577 -1.359 -4.855 1.00 1.48 H new ATOM 0 HG2 MET A 647 20.738 -3.280 -3.400 1.00 1.52 H new ATOM 0 HG3 MET A 647 22.393 -3.849 -3.297 1.00 1.52 H new ATOM 0 HE1 MET A 647 20.488 -0.206 -1.258 1.00 1.35 H new ATOM 0 HE2 MET A 647 20.432 -0.428 -3.023 1.00 1.35 H new ATOM 0 HE3 MET A 647 19.668 -1.626 -1.951 1.00 1.35 H new ATOM 1824 N MET A 648 19.264 -2.933 -5.706 1.00 1.50 N ATOM 1825 CA MET A 648 17.929 -3.272 -5.257 1.00 1.50 C ATOM 1826 C MET A 648 17.177 -4.055 -6.340 1.00 1.66 C ATOM 1827 O MET A 648 16.359 -4.914 -6.021 1.00 1.79 O ATOM 1828 CB MET A 648 17.237 -1.982 -4.800 1.00 1.27 C ATOM 1829 CG MET A 648 16.120 -2.282 -3.805 1.00 1.99 C ATOM 1830 SD MET A 648 16.670 -3.032 -2.246 1.00 2.06 S ATOM 1831 CE MET A 648 15.525 -4.437 -2.180 1.00 2.80 C ATOM 0 H MET A 648 19.349 -1.980 -6.060 1.00 1.50 H new ATOM 0 HA MET A 648 17.953 -3.945 -4.400 1.00 1.50 H new ATOM 0 HB2 MET A 648 17.968 -1.316 -4.341 1.00 1.27 H new ATOM 0 HB3 MET A 648 16.828 -1.459 -5.664 1.00 1.27 H new ATOM 0 HG2 MET A 648 15.594 -1.354 -3.580 1.00 1.99 H new ATOM 0 HG3 MET A 648 15.400 -2.949 -4.279 1.00 1.99 H new ATOM 0 HE1 MET A 648 15.847 -5.133 -1.406 1.00 2.80 H new ATOM 0 HE2 MET A 648 14.522 -4.078 -1.951 1.00 2.80 H new ATOM 0 HE3 MET A 648 15.517 -4.945 -3.144 1.00 2.80 H new ATOM 1841 N ARG A 649 17.532 -3.864 -7.618 1.00 1.72 N ATOM 1842 CA ARG A 649 17.035 -4.693 -8.726 1.00 1.95 C ATOM 1843 C ARG A 649 17.489 -6.148 -8.563 1.00 2.23 C ATOM 1844 O ARG A 649 16.633 -7.036 -8.566 1.00 2.40 O ATOM 1845 CB ARG A 649 17.435 -4.050 -10.069 1.00 2.02 C ATOM 1846 CG ARG A 649 16.599 -4.527 -11.270 1.00 2.27 C ATOM 1847 CD ARG A 649 17.102 -5.831 -11.901 1.00 2.63 C ATOM 1848 NE ARG A 649 16.232 -6.239 -13.020 1.00 3.01 N ATOM 1849 CZ ARG A 649 16.595 -6.895 -14.108 1.00 3.83 C ATOM 1850 NH1 ARG A 649 17.790 -7.365 -14.295 1.00 4.58 N ATOM 1851 NH2 ARG A 649 15.733 -7.100 -15.057 1.00 4.62 N ATOM 0 H ARG A 649 18.174 -3.128 -7.914 1.00 1.72 H new ATOM 0 HA ARG A 649 15.946 -4.732 -8.712 1.00 1.95 H new ATOM 0 HB2 ARG A 649 17.342 -2.967 -9.983 1.00 2.02 H new ATOM 0 HB3 ARG A 649 18.486 -4.265 -10.263 1.00 2.02 H new ATOM 0 HG2 ARG A 649 15.567 -4.665 -10.949 1.00 2.27 H new ATOM 0 HG3 ARG A 649 16.595 -3.746 -12.030 1.00 2.27 H new ATOM 0 HD2 ARG A 649 18.123 -5.698 -12.258 1.00 2.63 H new ATOM 0 HD3 ARG A 649 17.128 -6.619 -11.148 1.00 2.63 H new ATOM 0 HE ARG A 649 15.246 -5.988 -12.946 1.00 3.01 H new ATOM 0 HH11 ARG A 649 18.507 -7.236 -13.581 1.00 4.58 H new ATOM 0 HH12 ARG A 649 18.013 -7.864 -15.156 1.00 4.58 H new ATOM 0 HH21 ARG A 649 14.778 -6.755 -14.962 1.00 4.62 H new ATOM 0 HH22 ARG A 649 16.011 -7.606 -15.898 1.00 4.62 H new ATOM 1865 N ARG A 650 18.787 -6.412 -8.334 1.00 2.31 N ATOM 1866 CA ARG A 650 19.292 -7.790 -8.103 1.00 2.57 C ATOM 1867 C ARG A 650 18.777 -8.431 -6.812 1.00 2.62 C ATOM 1868 O ARG A 650 18.494 -9.629 -6.805 1.00 2.88 O ATOM 1869 CB ARG A 650 20.824 -7.887 -8.184 1.00 2.69 C ATOM 1870 CG ARG A 650 21.620 -7.014 -7.204 1.00 2.94 C ATOM 1871 CD ARG A 650 23.100 -7.398 -7.242 1.00 3.54 C ATOM 1872 NE ARG A 650 23.948 -6.481 -6.458 1.00 4.15 N ATOM 1873 CZ ARG A 650 24.498 -5.351 -6.867 1.00 5.74 C ATOM 1874 NH1 ARG A 650 24.304 -4.827 -8.042 1.00 6.99 N ATOM 1875 NH2 ARG A 650 25.271 -4.701 -6.055 1.00 6.62 N ATOM 0 H ARG A 650 19.511 -5.694 -8.303 1.00 2.31 H new ATOM 0 HA ARG A 650 18.876 -8.369 -8.928 1.00 2.57 H new ATOM 0 HB2 ARG A 650 21.109 -8.927 -8.023 1.00 2.69 H new ATOM 0 HB3 ARG A 650 21.129 -7.627 -9.198 1.00 2.69 H new ATOM 0 HG2 ARG A 650 21.502 -5.962 -7.464 1.00 2.94 H new ATOM 0 HG3 ARG A 650 21.230 -7.139 -6.194 1.00 2.94 H new ATOM 0 HD2 ARG A 650 23.218 -8.412 -6.859 1.00 3.54 H new ATOM 0 HD3 ARG A 650 23.442 -7.407 -8.277 1.00 3.54 H new ATOM 0 HE ARG A 650 24.131 -6.749 -5.491 1.00 4.15 H new ATOM 0 HH11 ARG A 650 23.694 -5.293 -8.714 1.00 6.99 H new ATOM 0 HH12 ARG A 650 24.762 -3.950 -8.291 1.00 6.99 H new ATOM 0 HH21 ARG A 650 25.446 -5.063 -5.118 1.00 6.62 H new ATOM 0 HH22 ARG A 650 25.704 -3.827 -6.353 1.00 6.62 H new ATOM 1889 N ALA A 651 18.592 -7.633 -5.762 1.00 2.42 N ATOM 1890 CA ALA A 651 17.982 -8.048 -4.495 1.00 2.49 C ATOM 1891 C ALA A 651 16.545 -8.602 -4.638 1.00 2.61 C ATOM 1892 O ALA A 651 16.114 -9.419 -3.823 1.00 2.82 O ATOM 1893 CB ALA A 651 17.955 -6.838 -3.557 1.00 2.27 C ATOM 0 H ALA A 651 18.869 -6.651 -5.767 1.00 2.42 H new ATOM 0 HA ALA A 651 18.588 -8.864 -4.102 1.00 2.49 H new ATOM 0 HB1 ALA A 651 17.504 -7.124 -2.607 1.00 2.27 H new ATOM 0 HB2 ALA A 651 18.973 -6.488 -3.385 1.00 2.27 H new ATOM 0 HB3 ALA A 651 17.368 -6.039 -4.011 1.00 2.27 H new ATOM 1899 N PHE A 652 15.806 -8.185 -5.670 1.00 2.50 N ATOM 1900 CA PHE A 652 14.516 -8.776 -6.044 1.00 2.64 C ATOM 1901 C PHE A 652 14.641 -9.908 -7.084 1.00 2.98 C ATOM 1902 O PHE A 652 13.861 -10.854 -7.039 1.00 3.25 O ATOM 1903 CB PHE A 652 13.589 -7.654 -6.523 1.00 2.34 C ATOM 1904 CG PHE A 652 13.106 -6.698 -5.442 1.00 2.20 C ATOM 1905 CD1 PHE A 652 12.388 -7.166 -4.324 1.00 2.25 C ATOM 1906 CD2 PHE A 652 13.358 -5.320 -5.571 1.00 3.03 C ATOM 1907 CE1 PHE A 652 11.922 -6.263 -3.349 1.00 2.25 C ATOM 1908 CE2 PHE A 652 12.914 -4.421 -4.586 1.00 2.98 C ATOM 1909 CZ PHE A 652 12.177 -4.886 -3.484 1.00 2.12 C ATOM 0 H PHE A 652 16.090 -7.417 -6.278 1.00 2.50 H new ATOM 0 HA PHE A 652 14.089 -9.258 -5.164 1.00 2.64 H new ATOM 0 HB2 PHE A 652 14.110 -7.077 -7.287 1.00 2.34 H new ATOM 0 HB3 PHE A 652 12.719 -8.104 -7.001 1.00 2.34 H new ATOM 0 HD1 PHE A 652 12.194 -8.223 -4.214 1.00 2.25 H new ATOM 0 HD2 PHE A 652 13.896 -4.951 -6.432 1.00 3.03 H new ATOM 0 HE1 PHE A 652 11.368 -6.628 -2.497 1.00 2.25 H new ATOM 0 HE2 PHE A 652 13.140 -3.369 -4.677 1.00 2.98 H new ATOM 0 HZ PHE A 652 11.808 -4.190 -2.745 1.00 2.12 H new ATOM 1919 N GLU A 653 15.647 -9.903 -7.967 1.00 3.03 N ATOM 1920 CA GLU A 653 15.909 -11.040 -8.876 1.00 3.36 C ATOM 1921 C GLU A 653 16.211 -12.349 -8.115 1.00 3.46 C ATOM 1922 O GLU A 653 15.801 -13.427 -8.538 1.00 3.63 O ATOM 1923 CB GLU A 653 17.095 -10.727 -9.809 1.00 3.41 C ATOM 1924 CG GLU A 653 16.848 -9.630 -10.852 1.00 3.30 C ATOM 1925 CD GLU A 653 15.725 -9.971 -11.834 1.00 3.32 C ATOM 1926 OE1 GLU A 653 15.843 -10.956 -12.606 1.00 3.96 O ATOM 1927 OE2 GLU A 653 14.689 -9.263 -11.819 1.00 3.52 O ATOM 0 H GLU A 653 16.298 -9.125 -8.076 1.00 3.03 H new ATOM 0 HA GLU A 653 14.998 -11.183 -9.457 1.00 3.36 H new ATOM 0 HB2 GLU A 653 17.948 -10.435 -9.197 1.00 3.41 H new ATOM 0 HB3 GLU A 653 17.375 -11.642 -10.330 1.00 3.41 H new ATOM 0 HG2 GLU A 653 16.603 -8.700 -10.340 1.00 3.30 H new ATOM 0 HG3 GLU A 653 17.768 -9.454 -11.410 1.00 3.30 H new ATOM 1934 N THR A 654 16.882 -12.261 -6.960 1.00 3.37 N ATOM 1935 CA THR A 654 17.353 -13.435 -6.195 1.00 3.61 C ATOM 1936 C THR A 654 16.209 -14.199 -5.522 1.00 3.87 C ATOM 1937 O THR A 654 16.235 -15.427 -5.408 1.00 4.28 O ATOM 1938 CB THR A 654 18.441 -13.012 -5.199 1.00 3.39 C ATOM 1939 OG1 THR A 654 19.003 -14.114 -4.535 1.00 3.63 O ATOM 1940 CG2 THR A 654 17.964 -12.006 -4.163 1.00 3.13 C ATOM 0 H THR A 654 17.118 -11.370 -6.523 1.00 3.37 H new ATOM 0 HA THR A 654 17.793 -14.140 -6.900 1.00 3.61 H new ATOM 0 HB THR A 654 19.199 -12.526 -5.814 1.00 3.39 H new ATOM 0 HG1 THR A 654 19.692 -13.803 -3.911 1.00 3.63 H new ATOM 0 HG21 THR A 654 18.787 -11.754 -3.494 1.00 3.13 H new ATOM 0 HG22 THR A 654 17.616 -11.103 -4.665 1.00 3.13 H new ATOM 0 HG23 THR A 654 17.147 -12.438 -3.586 1.00 3.13 H new ATOM 1948 N VAL A 655 15.156 -13.468 -5.155 1.00 3.72 N ATOM 1949 CA VAL A 655 13.901 -13.994 -4.607 1.00 4.04 C ATOM 1950 C VAL A 655 12.921 -14.384 -5.706 1.00 4.37 C ATOM 1951 O VAL A 655 12.244 -15.397 -5.581 1.00 4.79 O ATOM 1952 CB VAL A 655 13.292 -12.993 -3.613 1.00 3.82 C ATOM 1953 CG1 VAL A 655 13.078 -11.606 -4.205 1.00 3.43 C ATOM 1954 CG2 VAL A 655 12.017 -13.538 -2.958 1.00 4.26 C ATOM 0 H VAL A 655 15.152 -12.451 -5.234 1.00 3.72 H new ATOM 0 HA VAL A 655 14.125 -14.911 -4.062 1.00 4.04 H new ATOM 0 HB VAL A 655 14.036 -12.869 -2.826 1.00 3.82 H new ATOM 0 HG11 VAL A 655 12.646 -10.951 -3.449 1.00 3.43 H new ATOM 0 HG12 VAL A 655 14.034 -11.199 -4.534 1.00 3.43 H new ATOM 0 HG13 VAL A 655 12.401 -11.674 -5.056 1.00 3.43 H new ATOM 0 HG21 VAL A 655 11.620 -12.798 -2.263 1.00 4.26 H new ATOM 0 HG22 VAL A 655 11.274 -13.748 -3.727 1.00 4.26 H new ATOM 0 HG23 VAL A 655 12.249 -14.456 -2.417 1.00 4.26 H new