USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 981 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 647 MET CE :methyl -172:sc= -0.0445 (180deg=-0.132) USER MOD Set 1.2: A 648 MET CE :methyl 162:sc= -0.361 (180deg=-1.05) USER MOD Set 2.1: A 593 THR OG1 : rot 180:sc= 0.0512 USER MOD Set 2.2: A 599 MET CE :methyl -160:sc= -0.326 (180deg=-0.906) USER MOD Set 3.1: A 542 MET CE :methyl -156:sc= 0 (180deg=-0.647) USER MOD Set 3.2: A 581 MET CE :methyl 177:sc= -0.555 (180deg=-0.569) USER MOD Set 4.1: A 580 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 582 TYR OH : rot 180:sc= -0.166 USER MOD Set 5.1: A 559 LYS NZ :NH3+ -175:sc= 0.821 (180deg=0) USER MOD Set 5.2: A 634 SER OG : rot 107:sc= 0.185 USER MOD Set 5.3: A 637 ASN : amide:sc= 1.86 K(o=2.9,f=-0.69) USER MOD Single : A 535 CYS SG : rot 129:sc= 0.00298 USER MOD Single : A 537 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 SER OG : rot 76:sc= 1.32 USER MOD Single : A 547 ASN : amide:sc= -0.0204 X(o=-0.02,f=-0.016) USER MOD Single : A 551 ASN : amide:sc= 0.949 K(o=0.95,f=0) USER MOD Single : A 554 THR OG1 : rot 97:sc= 1.22 USER MOD Single : A 556 MET CE :methyl -176:sc= -1.2 (180deg=-1.27) USER MOD Single : A 558 THR OG1 : rot -91:sc= 0.00535 USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 GLN : amide:sc= 0.506 X(o=0.51,f=0.13) USER MOD Single : A 570 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 THR OG1 : rot -77:sc= 1.18 USER MOD Single : A 579 LYS NZ :NH3+ -173:sc=-0.000749 (180deg=-0.0331) USER MOD Single : A 585 GLN : amide:sc= -0.0921 X(o=-0.092,f=-0.084) USER MOD Single : A 586 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 590 SER OG : rot 148:sc= 0.893 USER MOD Single : A 594 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 596 ASN : amide:sc= -0.0607 K(o=-0.061,f=-2.3!) USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 605 SER OG : rot 89:sc= 1.25 USER MOD Single : A 606 TYR OH : rot 180:sc= 0 USER MOD Single : A 611 CYS SG : rot 180:sc= 0.08 USER MOD Single : A 614 THR OG1 : rot 88:sc= 0.625 USER MOD Single : A 619 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 621 SER OG : rot 62:sc= 0.829 USER MOD Single : A 626 THR OG1 : rot 180:sc= -0.0682 USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 628 CYS SG : rot 180:sc= -0.736 USER MOD Single : A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 SER OG : rot 161:sc= 1.21 USER MOD Single : A 639 ASN : amide:sc= 0.623 K(o=0.62,f=-0.86) USER MOD Single : A 645 TYR OH : rot 180:sc= 0 USER MOD Single : A 654 THR OG1 : rot -26:sc= 0.0224 USER MOD ----------------------------------------------------------------- ATOM 15 N CYS A 535 5.165 12.142 2.150 1.00 2.47 N ATOM 16 CA CYS A 535 5.029 11.265 3.324 1.00 1.84 C ATOM 17 C CYS A 535 5.996 10.051 3.341 1.00 1.45 C ATOM 18 O CYS A 535 5.595 8.937 3.694 1.00 1.43 O ATOM 19 CB CYS A 535 3.553 10.849 3.453 1.00 2.90 C ATOM 20 SG CYS A 535 2.455 12.300 3.527 1.00 4.08 S ATOM 0 HA CYS A 535 5.333 11.835 4.202 1.00 1.84 H new ATOM 0 HB2 CYS A 535 3.275 10.224 2.605 1.00 2.90 H new ATOM 0 HB3 CYS A 535 3.421 10.245 4.351 1.00 2.90 H new ATOM 0 HG CYS A 535 1.505 12.170 2.649 1.00 4.08 H new ATOM 26 N ARG A 536 7.280 10.239 2.981 1.00 1.45 N ATOM 27 CA ARG A 536 8.309 9.172 2.905 1.00 1.36 C ATOM 28 C ARG A 536 8.427 8.338 4.187 1.00 1.28 C ATOM 29 O ARG A 536 8.666 7.136 4.104 1.00 1.29 O ATOM 30 CB ARG A 536 9.672 9.756 2.465 1.00 1.67 C ATOM 31 CG ARG A 536 10.464 10.485 3.560 1.00 1.72 C ATOM 32 CD ARG A 536 11.772 11.078 3.024 1.00 2.08 C ATOM 33 NE ARG A 536 12.527 11.702 4.125 1.00 2.30 N ATOM 34 CZ ARG A 536 13.463 11.153 4.873 1.00 2.97 C ATOM 35 NH1 ARG A 536 14.003 10.000 4.614 1.00 3.79 N ATOM 36 NH2 ARG A 536 13.861 11.798 5.921 1.00 3.76 N ATOM 0 H ARG A 536 7.644 11.158 2.728 1.00 1.45 H new ATOM 0 HA ARG A 536 7.973 8.471 2.141 1.00 1.36 H new ATOM 0 HB2 ARG A 536 10.287 8.944 2.076 1.00 1.67 H new ATOM 0 HB3 ARG A 536 9.501 10.450 1.642 1.00 1.67 H new ATOM 0 HG2 ARG A 536 9.851 11.281 3.982 1.00 1.72 H new ATOM 0 HG3 ARG A 536 10.686 9.791 4.370 1.00 1.72 H new ATOM 0 HD2 ARG A 536 12.372 10.297 2.557 1.00 2.08 H new ATOM 0 HD3 ARG A 536 11.557 11.818 2.253 1.00 2.08 H new ATOM 0 HE ARG A 536 12.298 12.674 4.333 1.00 2.30 H new ATOM 0 HH11 ARG A 536 13.706 9.470 3.795 1.00 3.79 H new ATOM 0 HH12 ARG A 536 14.724 9.625 5.230 1.00 3.79 H new ATOM 0 HH21 ARG A 536 13.452 12.704 6.148 1.00 3.76 H new ATOM 0 HH22 ARG A 536 14.584 11.400 6.521 1.00 3.76 H new ATOM 50 N LYS A 537 8.171 8.943 5.352 1.00 1.35 N ATOM 51 CA LYS A 537 8.130 8.281 6.667 1.00 1.36 C ATOM 52 C LYS A 537 7.200 7.060 6.714 1.00 1.14 C ATOM 53 O LYS A 537 7.503 6.092 7.409 1.00 1.19 O ATOM 54 CB LYS A 537 7.705 9.339 7.694 1.00 1.69 C ATOM 55 CG LYS A 537 7.838 8.872 9.151 1.00 1.86 C ATOM 56 CD LYS A 537 7.737 10.086 10.079 1.00 2.70 C ATOM 57 CE LYS A 537 7.980 9.693 11.540 1.00 3.08 C ATOM 58 NZ LYS A 537 8.400 10.878 12.319 1.00 4.25 N ATOM 0 H LYS A 537 7.979 9.943 5.411 1.00 1.35 H new ATOM 0 HA LYS A 537 9.120 7.883 6.890 1.00 1.36 H new ATOM 0 HB2 LYS A 537 8.310 10.234 7.552 1.00 1.69 H new ATOM 0 HB3 LYS A 537 6.669 9.621 7.505 1.00 1.69 H new ATOM 0 HG2 LYS A 537 7.055 8.152 9.388 1.00 1.86 H new ATOM 0 HG3 LYS A 537 8.792 8.365 9.298 1.00 1.86 H new ATOM 0 HD2 LYS A 537 8.465 10.839 9.777 1.00 2.70 H new ATOM 0 HD3 LYS A 537 6.751 10.540 9.982 1.00 2.70 H new ATOM 0 HE2 LYS A 537 7.071 9.270 11.967 1.00 3.08 H new ATOM 0 HE3 LYS A 537 8.747 8.921 11.595 1.00 3.08 H new ATOM 0 HZ1 LYS A 537 8.563 10.603 13.309 1.00 4.25 H new ATOM 0 HZ2 LYS A 537 9.279 11.264 11.918 1.00 4.25 H new ATOM 0 HZ3 LYS A 537 7.654 11.602 12.279 1.00 4.25 H new ATOM 72 N LEU A 538 6.097 7.071 5.960 1.00 1.05 N ATOM 73 CA LEU A 538 5.108 5.985 5.950 1.00 1.02 C ATOM 74 C LEU A 538 5.566 4.815 5.069 1.00 0.96 C ATOM 75 O LEU A 538 5.593 3.676 5.533 1.00 1.14 O ATOM 76 CB LEU A 538 3.729 6.532 5.531 1.00 1.20 C ATOM 77 CG LEU A 538 3.152 7.619 6.464 1.00 1.15 C ATOM 78 CD1 LEU A 538 1.784 8.072 5.952 1.00 2.42 C ATOM 79 CD2 LEU A 538 2.970 7.131 7.904 1.00 1.91 C ATOM 0 H LEU A 538 5.862 7.840 5.333 1.00 1.05 H new ATOM 0 HA LEU A 538 5.015 5.586 6.960 1.00 1.02 H new ATOM 0 HB2 LEU A 538 3.807 6.942 4.524 1.00 1.20 H new ATOM 0 HB3 LEU A 538 3.024 5.702 5.484 1.00 1.20 H new ATOM 0 HG LEU A 538 3.872 8.437 6.462 1.00 1.15 H new ATOM 0 HD11 LEU A 538 1.383 8.839 6.615 1.00 2.42 H new ATOM 0 HD12 LEU A 538 1.889 8.480 4.947 1.00 2.42 H new ATOM 0 HD13 LEU A 538 1.104 7.220 5.929 1.00 2.42 H new ATOM 0 HD21 LEU A 538 2.562 7.938 8.513 1.00 1.91 H new ATOM 0 HD22 LEU A 538 2.284 6.284 7.917 1.00 1.91 H new ATOM 0 HD23 LEU A 538 3.934 6.824 8.309 1.00 1.91 H new ATOM 91 N VAL A 539 6.024 5.087 3.842 1.00 0.86 N ATOM 92 CA VAL A 539 6.577 4.050 2.945 1.00 0.85 C ATOM 93 C VAL A 539 7.831 3.399 3.559 1.00 0.95 C ATOM 94 O VAL A 539 7.966 2.179 3.553 1.00 1.11 O ATOM 95 CB VAL A 539 6.768 4.615 1.518 1.00 0.75 C ATOM 96 CG1 VAL A 539 8.188 5.095 1.225 1.00 0.74 C ATOM 97 CG2 VAL A 539 6.359 3.571 0.479 1.00 0.84 C ATOM 0 H VAL A 539 6.025 6.024 3.439 1.00 0.86 H new ATOM 0 HA VAL A 539 5.863 3.233 2.840 1.00 0.85 H new ATOM 0 HB VAL A 539 6.124 5.492 1.457 1.00 0.75 H new ATOM 0 HG11 VAL A 539 8.240 5.476 0.205 1.00 0.74 H new ATOM 0 HG12 VAL A 539 8.455 5.888 1.923 1.00 0.74 H new ATOM 0 HG13 VAL A 539 8.884 4.263 1.337 1.00 0.74 H new ATOM 0 HG21 VAL A 539 6.498 3.980 -0.522 1.00 0.84 H new ATOM 0 HG22 VAL A 539 6.976 2.680 0.596 1.00 0.84 H new ATOM 0 HG23 VAL A 539 5.311 3.307 0.621 1.00 0.84 H new ATOM 107 N ALA A 540 8.688 4.189 4.218 1.00 0.98 N ATOM 108 CA ALA A 540 9.873 3.716 4.937 1.00 1.18 C ATOM 109 C ALA A 540 9.556 2.883 6.199 1.00 1.31 C ATOM 110 O ALA A 540 10.442 2.187 6.716 1.00 1.43 O ATOM 111 CB ALA A 540 10.702 4.948 5.313 1.00 1.28 C ATOM 0 H ALA A 540 8.571 5.201 4.266 1.00 0.98 H new ATOM 0 HA ALA A 540 10.418 3.039 4.279 1.00 1.18 H new ATOM 0 HB1 ALA A 540 11.596 4.634 5.852 1.00 1.28 H new ATOM 0 HB2 ALA A 540 10.992 5.481 4.408 1.00 1.28 H new ATOM 0 HB3 ALA A 540 10.108 5.606 5.947 1.00 1.28 H new ATOM 117 N SER A 541 8.322 2.952 6.712 1.00 1.37 N ATOM 118 CA SER A 541 7.858 2.252 7.911 1.00 1.53 C ATOM 119 C SER A 541 7.228 0.881 7.619 1.00 1.50 C ATOM 120 O SER A 541 6.941 0.109 8.539 1.00 1.60 O ATOM 121 CB SER A 541 6.877 3.144 8.646 1.00 1.77 C ATOM 122 OG SER A 541 7.557 4.211 9.279 1.00 2.79 O ATOM 0 H SER A 541 7.591 3.521 6.284 1.00 1.37 H new ATOM 0 HA SER A 541 8.731 2.046 8.530 1.00 1.53 H new ATOM 0 HB2 SER A 541 6.140 3.538 7.946 1.00 1.77 H new ATOM 0 HB3 SER A 541 6.332 2.561 9.388 1.00 1.77 H new ATOM 0 HG SER A 541 7.813 4.879 8.609 1.00 2.79 H new ATOM 128 N MET A 542 7.032 0.558 6.338 1.00 1.39 N ATOM 129 CA MET A 542 6.598 -0.745 5.854 1.00 1.38 C ATOM 130 C MET A 542 7.718 -1.787 6.096 1.00 1.31 C ATOM 131 O MET A 542 8.873 -1.516 5.745 1.00 1.23 O ATOM 132 CB MET A 542 6.263 -0.574 4.361 1.00 1.36 C ATOM 133 CG MET A 542 5.224 -1.555 3.824 1.00 1.49 C ATOM 134 SD MET A 542 5.747 -3.285 3.751 1.00 2.85 S ATOM 135 CE MET A 542 4.566 -3.922 2.537 1.00 1.89 C ATOM 0 H MET A 542 7.179 1.228 5.583 1.00 1.39 H new ATOM 0 HA MET A 542 5.717 -1.110 6.381 1.00 1.38 H new ATOM 0 HB2 MET A 542 5.902 0.442 4.198 1.00 1.36 H new ATOM 0 HB3 MET A 542 7.180 -0.684 3.782 1.00 1.36 H new ATOM 0 HG2 MET A 542 4.332 -1.490 4.448 1.00 1.49 H new ATOM 0 HG3 MET A 542 4.936 -1.239 2.822 1.00 1.49 H new ATOM 0 HE1 MET A 542 4.447 -4.997 2.675 1.00 1.89 H new ATOM 0 HE2 MET A 542 3.603 -3.430 2.673 1.00 1.89 H new ATOM 0 HE3 MET A 542 4.936 -3.724 1.531 1.00 1.89 H new ATOM 145 N PRO A 543 7.451 -2.975 6.673 1.00 1.45 N ATOM 146 CA PRO A 543 8.491 -3.954 7.036 1.00 1.56 C ATOM 147 C PRO A 543 9.292 -4.519 5.846 1.00 1.46 C ATOM 148 O PRO A 543 10.402 -5.014 6.025 1.00 1.57 O ATOM 149 CB PRO A 543 7.758 -5.057 7.809 1.00 1.87 C ATOM 150 CG PRO A 543 6.308 -4.929 7.357 1.00 1.80 C ATOM 151 CD PRO A 543 6.153 -3.429 7.140 1.00 1.66 C ATOM 0 HA PRO A 543 9.261 -3.465 7.632 1.00 1.56 H new ATOM 0 HB2 PRO A 543 8.162 -6.042 7.577 1.00 1.87 H new ATOM 0 HB3 PRO A 543 7.853 -4.919 8.886 1.00 1.87 H new ATOM 0 HG2 PRO A 543 6.118 -5.492 6.443 1.00 1.80 H new ATOM 0 HG3 PRO A 543 5.615 -5.302 8.111 1.00 1.80 H new ATOM 0 HD2 PRO A 543 5.374 -3.216 6.408 1.00 1.66 H new ATOM 0 HD3 PRO A 543 5.869 -2.925 8.064 1.00 1.66 H new ATOM 159 N LEU A 544 8.783 -4.403 4.616 1.00 1.35 N ATOM 160 CA LEU A 544 9.487 -4.766 3.376 1.00 1.40 C ATOM 161 C LEU A 544 10.579 -3.747 2.974 1.00 1.27 C ATOM 162 O LEU A 544 11.525 -4.101 2.269 1.00 1.46 O ATOM 163 CB LEU A 544 8.391 -4.984 2.322 1.00 1.49 C ATOM 164 CG LEU A 544 8.834 -5.388 0.908 1.00 1.75 C ATOM 165 CD1 LEU A 544 7.733 -6.249 0.302 1.00 2.06 C ATOM 166 CD2 LEU A 544 8.962 -4.159 0.008 1.00 2.41 C ATOM 0 H LEU A 544 7.843 -4.044 4.447 1.00 1.35 H new ATOM 0 HA LEU A 544 10.068 -5.680 3.500 1.00 1.40 H new ATOM 0 HB2 LEU A 544 7.715 -5.753 2.695 1.00 1.49 H new ATOM 0 HB3 LEU A 544 7.813 -4.063 2.243 1.00 1.49 H new ATOM 0 HG LEU A 544 9.791 -5.906 0.976 1.00 1.75 H new ATOM 0 HD11 LEU A 544 8.020 -6.552 -0.705 1.00 2.06 H new ATOM 0 HD12 LEU A 544 7.583 -7.135 0.918 1.00 2.06 H new ATOM 0 HD13 LEU A 544 6.806 -5.677 0.258 1.00 2.06 H new ATOM 0 HD21 LEU A 544 9.277 -4.469 -0.988 1.00 2.41 H new ATOM 0 HD22 LEU A 544 7.998 -3.653 -0.057 1.00 2.41 H new ATOM 0 HD23 LEU A 544 9.702 -3.477 0.427 1.00 2.41 H new ATOM 178 N PHE A 545 10.486 -2.512 3.480 1.00 1.08 N ATOM 179 CA PHE A 545 11.390 -1.368 3.265 1.00 1.00 C ATOM 180 C PHE A 545 12.428 -1.205 4.402 1.00 1.08 C ATOM 181 O PHE A 545 13.088 -0.169 4.525 1.00 1.05 O ATOM 182 CB PHE A 545 10.551 -0.083 3.095 1.00 0.98 C ATOM 183 CG PHE A 545 9.798 0.104 1.785 1.00 0.92 C ATOM 184 CD1 PHE A 545 8.753 -0.762 1.402 1.00 2.09 C ATOM 185 CD2 PHE A 545 10.082 1.234 0.993 1.00 1.90 C ATOM 186 CE1 PHE A 545 7.981 -0.478 0.261 1.00 2.13 C ATOM 187 CE2 PHE A 545 9.308 1.522 -0.142 1.00 1.91 C ATOM 188 CZ PHE A 545 8.236 0.684 -0.485 1.00 1.01 C ATOM 0 H PHE A 545 9.716 -2.263 4.101 1.00 1.08 H new ATOM 0 HA PHE A 545 11.963 -1.558 2.357 1.00 1.00 H new ATOM 0 HB2 PHE A 545 9.825 -0.047 3.907 1.00 0.98 H new ATOM 0 HB3 PHE A 545 11.216 0.771 3.224 1.00 0.98 H new ATOM 0 HD1 PHE A 545 8.545 -1.646 1.987 1.00 2.09 H new ATOM 0 HD2 PHE A 545 10.902 1.884 1.261 1.00 1.90 H new ATOM 0 HE1 PHE A 545 7.193 -1.153 -0.041 1.00 2.13 H new ATOM 0 HE2 PHE A 545 9.537 2.385 -0.749 1.00 1.91 H new ATOM 0 HZ PHE A 545 7.605 0.934 -1.325 1.00 1.01 H new ATOM 198 N ALA A 546 12.575 -2.210 5.265 1.00 1.24 N ATOM 199 CA ALA A 546 13.442 -2.200 6.448 1.00 1.43 C ATOM 200 C ALA A 546 14.940 -1.960 6.172 1.00 1.40 C ATOM 201 O ALA A 546 15.651 -1.385 7.001 1.00 1.52 O ATOM 202 CB ALA A 546 13.246 -3.561 7.087 1.00 1.60 C ATOM 0 H ALA A 546 12.073 -3.091 5.156 1.00 1.24 H new ATOM 0 HA ALA A 546 13.160 -1.359 7.082 1.00 1.43 H new ATOM 0 HB1 ALA A 546 13.863 -3.635 7.983 1.00 1.60 H new ATOM 0 HB2 ALA A 546 12.198 -3.689 7.357 1.00 1.60 H new ATOM 0 HB3 ALA A 546 13.536 -4.339 6.381 1.00 1.60 H new ATOM 208 N ASN A 547 15.403 -2.369 4.993 1.00 1.31 N ATOM 209 CA ASN A 547 16.766 -2.215 4.475 1.00 1.35 C ATOM 210 C ASN A 547 16.808 -1.364 3.198 1.00 1.15 C ATOM 211 O ASN A 547 17.772 -1.395 2.430 1.00 1.26 O ATOM 212 CB ASN A 547 17.428 -3.593 4.365 1.00 1.69 C ATOM 213 CG ASN A 547 16.571 -4.640 3.680 1.00 2.46 C ATOM 214 OD1 ASN A 547 16.575 -4.790 2.466 1.00 3.76 O ATOM 215 ND2 ASN A 547 15.771 -5.359 4.431 1.00 2.70 N ATOM 0 H ASN A 547 14.798 -2.849 4.327 1.00 1.31 H new ATOM 0 HA ASN A 547 17.368 -1.640 5.179 1.00 1.35 H new ATOM 0 HB2 ASN A 547 18.365 -3.491 3.817 1.00 1.69 H new ATOM 0 HB3 ASN A 547 17.680 -3.944 5.366 1.00 1.69 H new ATOM 0 HD21 ASN A 547 15.150 -6.046 4.003 1.00 2.70 H new ATOM 0 HD22 ASN A 547 15.770 -5.231 5.443 1.00 2.70 H new ATOM 222 N ALA A 548 15.753 -0.575 3.002 1.00 0.98 N ATOM 223 CA ALA A 548 15.652 0.379 1.894 1.00 0.88 C ATOM 224 C ALA A 548 16.757 1.460 1.918 1.00 0.86 C ATOM 225 O ALA A 548 17.290 1.829 2.972 1.00 0.97 O ATOM 226 CB ALA A 548 14.253 1.014 1.834 1.00 0.89 C ATOM 0 H ALA A 548 14.936 -0.578 3.612 1.00 0.98 H new ATOM 0 HA ALA A 548 15.809 -0.196 0.981 1.00 0.88 H new ATOM 0 HB1 ALA A 548 14.208 1.717 1.002 1.00 0.89 H new ATOM 0 HB2 ALA A 548 13.505 0.234 1.691 1.00 0.89 H new ATOM 0 HB3 ALA A 548 14.053 1.542 2.767 1.00 0.89 H new ATOM 232 N ASP A 549 17.076 2.008 0.746 1.00 0.88 N ATOM 233 CA ASP A 549 17.924 3.195 0.586 1.00 0.86 C ATOM 234 C ASP A 549 17.069 4.486 0.659 1.00 0.83 C ATOM 235 O ASP A 549 16.062 4.577 -0.044 1.00 0.77 O ATOM 236 CB ASP A 549 18.690 3.061 -0.739 1.00 0.86 C ATOM 237 CG ASP A 549 19.462 4.326 -1.099 1.00 1.09 C ATOM 238 OD1 ASP A 549 18.826 5.329 -1.477 1.00 2.26 O ATOM 239 OD2 ASP A 549 20.707 4.334 -0.976 1.00 1.52 O ATOM 0 H ASP A 549 16.745 1.631 -0.142 1.00 0.88 H new ATOM 0 HA ASP A 549 18.648 3.268 1.397 1.00 0.86 H new ATOM 0 HB2 ASP A 549 19.384 2.223 -0.670 1.00 0.86 H new ATOM 0 HB3 ASP A 549 17.987 2.828 -1.539 1.00 0.86 H new ATOM 244 N PRO A 550 17.438 5.512 1.450 1.00 0.91 N ATOM 245 CA PRO A 550 16.588 6.690 1.695 1.00 0.94 C ATOM 246 C PRO A 550 16.297 7.546 0.445 1.00 0.89 C ATOM 247 O PRO A 550 15.349 8.334 0.426 1.00 0.92 O ATOM 248 CB PRO A 550 17.333 7.500 2.759 1.00 1.06 C ATOM 249 CG PRO A 550 18.794 7.114 2.542 1.00 1.06 C ATOM 250 CD PRO A 550 18.694 5.639 2.173 1.00 1.01 C ATOM 0 HA PRO A 550 15.597 6.368 2.014 1.00 0.94 H new ATOM 0 HB2 PRO A 550 17.177 8.571 2.630 1.00 1.06 H new ATOM 0 HB3 PRO A 550 16.996 7.248 3.764 1.00 1.06 H new ATOM 0 HG2 PRO A 550 19.255 7.701 1.747 1.00 1.06 H new ATOM 0 HG3 PRO A 550 19.392 7.268 3.440 1.00 1.06 H new ATOM 0 HD2 PRO A 550 19.537 5.329 1.555 1.00 1.01 H new ATOM 0 HD3 PRO A 550 18.702 5.009 3.062 1.00 1.01 H new ATOM 258 N ASN A 551 17.070 7.366 -0.624 1.00 0.85 N ATOM 259 CA ASN A 551 16.935 8.076 -1.897 1.00 0.83 C ATOM 260 C ASN A 551 16.000 7.293 -2.828 1.00 0.72 C ATOM 261 O ASN A 551 15.179 7.896 -3.518 1.00 0.74 O ATOM 262 CB ASN A 551 18.310 8.268 -2.568 1.00 0.90 C ATOM 263 CG ASN A 551 19.443 8.716 -1.661 1.00 1.05 C ATOM 264 OD1 ASN A 551 19.742 9.894 -1.512 1.00 1.53 O ATOM 265 ND2 ASN A 551 20.146 7.788 -1.064 1.00 1.80 N ATOM 0 H ASN A 551 17.838 6.695 -0.629 1.00 0.85 H new ATOM 0 HA ASN A 551 16.511 9.061 -1.702 1.00 0.83 H new ATOM 0 HB2 ASN A 551 18.597 7.326 -3.035 1.00 0.90 H new ATOM 0 HB3 ASN A 551 18.201 9.001 -3.368 1.00 0.90 H new ATOM 0 HD21 ASN A 551 20.939 8.047 -0.477 1.00 1.80 H new ATOM 0 HD22 ASN A 551 19.901 6.805 -1.185 1.00 1.80 H new ATOM 272 N PHE A 552 16.082 5.958 -2.799 1.00 0.67 N ATOM 273 CA PHE A 552 15.177 5.032 -3.489 1.00 0.59 C ATOM 274 C PHE A 552 13.729 5.184 -3.003 1.00 0.55 C ATOM 275 O PHE A 552 12.821 5.372 -3.814 1.00 0.54 O ATOM 276 CB PHE A 552 15.695 3.605 -3.251 1.00 0.62 C ATOM 277 CG PHE A 552 14.715 2.477 -3.494 1.00 0.60 C ATOM 278 CD1 PHE A 552 14.357 2.112 -4.802 1.00 1.83 C ATOM 279 CD2 PHE A 552 14.174 1.776 -2.400 1.00 1.77 C ATOM 280 CE1 PHE A 552 13.462 1.051 -5.018 1.00 1.83 C ATOM 281 CE2 PHE A 552 13.290 0.704 -2.611 1.00 1.83 C ATOM 282 CZ PHE A 552 12.942 0.338 -3.922 1.00 0.76 C ATOM 0 H PHE A 552 16.810 5.474 -2.273 1.00 0.67 H new ATOM 0 HA PHE A 552 15.165 5.257 -4.556 1.00 0.59 H new ATOM 0 HB2 PHE A 552 16.562 3.446 -3.892 1.00 0.62 H new ATOM 0 HB3 PHE A 552 16.044 3.537 -2.220 1.00 0.62 H new ATOM 0 HD1 PHE A 552 14.771 2.648 -5.643 1.00 1.83 H new ATOM 0 HD2 PHE A 552 14.440 2.063 -1.393 1.00 1.77 H new ATOM 0 HE1 PHE A 552 13.173 0.783 -6.024 1.00 1.83 H new ATOM 0 HE2 PHE A 552 12.880 0.164 -1.770 1.00 1.83 H new ATOM 0 HZ PHE A 552 12.273 -0.493 -4.089 1.00 0.76 H new ATOM 292 N VAL A 553 13.513 5.183 -1.680 1.00 0.58 N ATOM 293 CA VAL A 553 12.160 5.302 -1.088 1.00 0.60 C ATOM 294 C VAL A 553 11.505 6.648 -1.399 1.00 0.62 C ATOM 295 O VAL A 553 10.289 6.752 -1.494 1.00 0.64 O ATOM 296 CB VAL A 553 12.150 5.072 0.431 1.00 0.72 C ATOM 297 CG1 VAL A 553 12.872 3.775 0.736 1.00 1.29 C ATOM 298 CG2 VAL A 553 12.847 6.128 1.282 1.00 1.34 C ATOM 0 H VAL A 553 14.260 5.101 -0.990 1.00 0.58 H new ATOM 0 HA VAL A 553 11.577 4.510 -1.558 1.00 0.60 H new ATOM 0 HB VAL A 553 11.091 5.087 0.689 1.00 0.72 H new ATOM 0 HG11 VAL A 553 12.871 3.602 1.812 1.00 1.29 H new ATOM 0 HG12 VAL A 553 12.365 2.950 0.235 1.00 1.29 H new ATOM 0 HG13 VAL A 553 13.900 3.839 0.380 1.00 1.29 H new ATOM 0 HG21 VAL A 553 12.772 5.854 2.334 1.00 1.34 H new ATOM 0 HG22 VAL A 553 13.897 6.190 0.997 1.00 1.34 H new ATOM 0 HG23 VAL A 553 12.370 7.095 1.124 1.00 1.34 H new ATOM 308 N THR A 554 12.343 7.667 -1.579 1.00 0.65 N ATOM 309 CA THR A 554 11.961 9.035 -1.945 1.00 0.74 C ATOM 310 C THR A 554 11.688 9.196 -3.446 1.00 0.71 C ATOM 311 O THR A 554 10.672 9.777 -3.826 1.00 0.78 O ATOM 312 CB THR A 554 13.044 10.023 -1.482 1.00 0.85 C ATOM 313 OG1 THR A 554 13.251 9.956 -0.082 1.00 0.92 O ATOM 314 CG2 THR A 554 12.626 11.443 -1.824 1.00 0.97 C ATOM 0 H THR A 554 13.351 7.560 -1.470 1.00 0.65 H new ATOM 0 HA THR A 554 11.023 9.256 -1.435 1.00 0.74 H new ATOM 0 HB THR A 554 13.967 9.752 -1.994 1.00 0.85 H new ATOM 0 HG1 THR A 554 14.021 9.380 0.108 1.00 0.92 H new ATOM 0 HG21 THR A 554 13.397 12.139 -1.494 1.00 0.97 H new ATOM 0 HG22 THR A 554 12.493 11.534 -2.902 1.00 0.97 H new ATOM 0 HG23 THR A 554 11.687 11.677 -1.322 1.00 0.97 H new ATOM 322 N ALA A 555 12.533 8.643 -4.322 1.00 0.65 N ATOM 323 CA ALA A 555 12.343 8.723 -5.776 1.00 0.68 C ATOM 324 C ALA A 555 11.045 8.030 -6.246 1.00 0.66 C ATOM 325 O ALA A 555 10.540 8.291 -7.336 1.00 0.81 O ATOM 326 CB ALA A 555 13.578 8.129 -6.465 1.00 0.68 C ATOM 0 H ALA A 555 13.368 8.127 -4.044 1.00 0.65 H new ATOM 0 HA ALA A 555 12.232 9.771 -6.055 1.00 0.68 H new ATOM 0 HB1 ALA A 555 13.452 8.181 -7.546 1.00 0.68 H new ATOM 0 HB2 ALA A 555 14.464 8.695 -6.175 1.00 0.68 H new ATOM 0 HB3 ALA A 555 13.698 7.088 -6.164 1.00 0.68 H new ATOM 332 N MET A 556 10.489 7.154 -5.406 1.00 0.57 N ATOM 333 CA MET A 556 9.208 6.468 -5.589 1.00 0.62 C ATOM 334 C MET A 556 7.973 7.378 -5.443 1.00 0.67 C ATOM 335 O MET A 556 6.874 6.983 -5.831 1.00 0.84 O ATOM 336 CB MET A 556 9.192 5.359 -4.533 1.00 0.71 C ATOM 337 CG MET A 556 8.177 4.242 -4.774 1.00 0.67 C ATOM 338 SD MET A 556 8.318 2.880 -3.580 1.00 0.83 S ATOM 339 CE MET A 556 10.065 2.409 -3.767 1.00 0.62 C ATOM 0 H MET A 556 10.945 6.890 -4.533 1.00 0.57 H new ATOM 0 HA MET A 556 9.138 6.092 -6.610 1.00 0.62 H new ATOM 0 HB2 MET A 556 10.187 4.918 -4.478 1.00 0.71 H new ATOM 0 HB3 MET A 556 8.989 5.808 -3.561 1.00 0.71 H new ATOM 0 HG2 MET A 556 7.170 4.657 -4.725 1.00 0.67 H new ATOM 0 HG3 MET A 556 8.311 3.849 -5.782 1.00 0.67 H new ATOM 0 HE1 MET A 556 10.275 1.538 -3.146 1.00 0.62 H new ATOM 0 HE2 MET A 556 10.267 2.168 -4.811 1.00 0.62 H new ATOM 0 HE3 MET A 556 10.701 3.238 -3.456 1.00 0.62 H new ATOM 349 N LEU A 557 8.120 8.571 -4.852 1.00 0.71 N ATOM 350 CA LEU A 557 7.017 9.481 -4.493 1.00 0.81 C ATOM 351 C LEU A 557 6.703 10.558 -5.555 1.00 0.91 C ATOM 352 O LEU A 557 5.727 11.302 -5.435 1.00 0.93 O ATOM 353 CB LEU A 557 7.335 10.137 -3.135 1.00 0.87 C ATOM 354 CG LEU A 557 7.876 9.186 -2.051 1.00 0.83 C ATOM 355 CD1 LEU A 557 8.166 9.956 -0.776 1.00 0.94 C ATOM 356 CD2 LEU A 557 6.917 8.045 -1.708 1.00 0.82 C ATOM 0 H LEU A 557 9.036 8.944 -4.602 1.00 0.71 H new ATOM 0 HA LEU A 557 6.114 8.873 -4.433 1.00 0.81 H new ATOM 0 HB2 LEU A 557 8.066 10.930 -3.296 1.00 0.87 H new ATOM 0 HB3 LEU A 557 6.428 10.611 -2.759 1.00 0.87 H new ATOM 0 HG LEU A 557 8.784 8.749 -2.467 1.00 0.83 H new ATOM 0 HD11 LEU A 557 8.548 9.273 -0.017 1.00 0.94 H new ATOM 0 HD12 LEU A 557 8.910 10.727 -0.978 1.00 0.94 H new ATOM 0 HD13 LEU A 557 7.249 10.422 -0.416 1.00 0.94 H new ATOM 0 HD21 LEU A 557 7.362 7.415 -0.938 1.00 0.82 H new ATOM 0 HD22 LEU A 557 5.977 8.458 -1.341 1.00 0.82 H new ATOM 0 HD23 LEU A 557 6.727 7.448 -2.600 1.00 0.82 H new ATOM 368 N THR A 558 7.556 10.689 -6.572 1.00 1.00 N ATOM 369 CA THR A 558 7.614 11.864 -7.473 1.00 1.06 C ATOM 370 C THR A 558 6.369 12.136 -8.336 1.00 1.02 C ATOM 371 O THR A 558 6.190 13.279 -8.770 1.00 1.20 O ATOM 372 CB THR A 558 8.861 11.808 -8.374 1.00 1.19 C ATOM 373 OG1 THR A 558 8.914 10.604 -9.107 1.00 1.88 O ATOM 374 CG2 THR A 558 10.141 11.887 -7.545 1.00 1.52 C ATOM 0 H THR A 558 8.244 9.973 -6.805 1.00 1.00 H new ATOM 0 HA THR A 558 7.663 12.704 -6.780 1.00 1.06 H new ATOM 0 HB THR A 558 8.788 12.659 -9.051 1.00 1.19 H new ATOM 0 HG1 THR A 558 9.420 9.935 -8.601 1.00 1.88 H new ATOM 0 HG21 THR A 558 11.006 11.845 -8.207 1.00 1.52 H new ATOM 0 HG22 THR A 558 10.156 12.823 -6.987 1.00 1.52 H new ATOM 0 HG23 THR A 558 10.176 11.049 -6.849 1.00 1.52 H new ATOM 382 N LYS A 559 5.496 11.142 -8.563 1.00 0.93 N ATOM 383 CA LYS A 559 4.153 11.295 -9.176 1.00 0.93 C ATOM 384 C LYS A 559 2.992 10.760 -8.321 1.00 0.94 C ATOM 385 O LYS A 559 1.898 10.521 -8.837 1.00 1.14 O ATOM 386 CB LYS A 559 4.165 10.779 -10.631 1.00 1.22 C ATOM 387 CG LYS A 559 4.448 9.277 -10.852 1.00 1.67 C ATOM 388 CD LYS A 559 3.219 8.343 -10.902 1.00 2.01 C ATOM 389 CE LYS A 559 2.876 7.651 -9.571 1.00 1.67 C ATOM 390 NZ LYS A 559 1.791 6.654 -9.741 1.00 2.67 N ATOM 0 H LYS A 559 5.706 10.174 -8.319 1.00 0.93 H new ATOM 0 HA LYS A 559 3.938 12.363 -9.212 1.00 0.93 H new ATOM 0 HB2 LYS A 559 3.197 11.008 -11.077 1.00 1.22 H new ATOM 0 HB3 LYS A 559 4.913 11.347 -11.183 1.00 1.22 H new ATOM 0 HG2 LYS A 559 4.998 9.168 -11.787 1.00 1.67 H new ATOM 0 HG3 LYS A 559 5.105 8.933 -10.054 1.00 1.67 H new ATOM 0 HD2 LYS A 559 2.354 8.922 -11.227 1.00 2.01 H new ATOM 0 HD3 LYS A 559 3.393 7.578 -11.658 1.00 2.01 H new ATOM 0 HE2 LYS A 559 3.765 7.159 -9.176 1.00 1.67 H new ATOM 0 HE3 LYS A 559 2.573 8.399 -8.838 1.00 1.67 H new ATOM 0 HZ1 LYS A 559 1.526 6.268 -8.813 1.00 2.67 H new ATOM 0 HZ2 LYS A 559 0.964 7.112 -10.174 1.00 2.67 H new ATOM 0 HZ3 LYS A 559 2.121 5.883 -10.355 1.00 2.67 H new ATOM 404 N LEU A 560 3.246 10.488 -7.038 1.00 0.83 N ATOM 405 CA LEU A 560 2.385 9.703 -6.152 1.00 0.80 C ATOM 406 C LEU A 560 0.996 10.338 -5.952 1.00 0.80 C ATOM 407 O LEU A 560 0.837 11.557 -6.028 1.00 0.99 O ATOM 408 CB LEU A 560 3.135 9.488 -4.826 1.00 0.95 C ATOM 409 CG LEU A 560 2.524 8.409 -3.921 1.00 0.89 C ATOM 410 CD1 LEU A 560 2.340 7.114 -4.687 1.00 2.40 C ATOM 411 CD2 LEU A 560 3.446 8.052 -2.761 1.00 1.19 C ATOM 0 H LEU A 560 4.089 10.822 -6.571 1.00 0.83 H new ATOM 0 HA LEU A 560 2.177 8.737 -6.613 1.00 0.80 H new ATOM 0 HB2 LEU A 560 4.168 9.218 -5.046 1.00 0.95 H new ATOM 0 HB3 LEU A 560 3.161 10.431 -4.280 1.00 0.95 H new ATOM 0 HG LEU A 560 1.581 8.822 -3.564 1.00 0.89 H new ATOM 0 HD11 LEU A 560 1.906 6.361 -4.029 1.00 2.40 H new ATOM 0 HD12 LEU A 560 1.675 7.283 -5.534 1.00 2.40 H new ATOM 0 HD13 LEU A 560 3.307 6.765 -5.050 1.00 2.40 H new ATOM 0 HD21 LEU A 560 2.976 7.285 -2.145 1.00 1.19 H new ATOM 0 HD22 LEU A 560 4.392 7.675 -3.151 1.00 1.19 H new ATOM 0 HD23 LEU A 560 3.631 8.940 -2.156 1.00 1.19 H new ATOM 423 N LYS A 561 -0.019 9.508 -5.688 1.00 0.71 N ATOM 424 CA LYS A 561 -1.434 9.909 -5.589 1.00 0.80 C ATOM 425 C LYS A 561 -2.021 9.678 -4.197 1.00 0.70 C ATOM 426 O LYS A 561 -1.703 8.682 -3.553 1.00 0.63 O ATOM 427 CB LYS A 561 -2.260 9.151 -6.641 1.00 1.07 C ATOM 428 CG LYS A 561 -3.239 10.035 -7.426 1.00 1.05 C ATOM 429 CD LYS A 561 -2.659 10.576 -8.749 1.00 1.42 C ATOM 430 CE LYS A 561 -1.341 11.344 -8.574 1.00 1.50 C ATOM 431 NZ LYS A 561 -0.849 11.903 -9.854 1.00 1.83 N ATOM 0 H LYS A 561 0.121 8.510 -5.532 1.00 0.71 H new ATOM 0 HA LYS A 561 -1.479 10.982 -5.776 1.00 0.80 H new ATOM 0 HB2 LYS A 561 -1.580 8.669 -7.343 1.00 1.07 H new ATOM 0 HB3 LYS A 561 -2.820 8.359 -6.145 1.00 1.07 H new ATOM 0 HG2 LYS A 561 -4.140 9.461 -7.642 1.00 1.05 H new ATOM 0 HG3 LYS A 561 -3.539 10.875 -6.800 1.00 1.05 H new ATOM 0 HD2 LYS A 561 -2.496 9.743 -9.432 1.00 1.42 H new ATOM 0 HD3 LYS A 561 -3.393 11.232 -9.216 1.00 1.42 H new ATOM 0 HE2 LYS A 561 -1.485 12.152 -7.857 1.00 1.50 H new ATOM 0 HE3 LYS A 561 -0.586 10.678 -8.156 1.00 1.50 H new ATOM 0 HZ1 LYS A 561 0.042 12.413 -9.690 1.00 1.83 H new ATOM 0 HZ2 LYS A 561 -0.686 11.130 -10.531 1.00 1.83 H new ATOM 0 HZ3 LYS A 561 -1.557 12.559 -10.241 1.00 1.83 H new ATOM 445 N PHE A 562 -2.932 10.550 -3.778 1.00 0.84 N ATOM 446 CA PHE A 562 -3.665 10.448 -2.509 1.00 0.81 C ATOM 447 C PHE A 562 -5.185 10.370 -2.713 1.00 0.77 C ATOM 448 O PHE A 562 -5.728 10.939 -3.667 1.00 0.85 O ATOM 449 CB PHE A 562 -3.218 11.560 -1.542 1.00 0.97 C ATOM 450 CG PHE A 562 -4.184 12.716 -1.331 1.00 0.90 C ATOM 451 CD1 PHE A 562 -5.178 12.629 -0.338 1.00 2.08 C ATOM 452 CD2 PHE A 562 -4.074 13.890 -2.102 1.00 2.20 C ATOM 453 CE1 PHE A 562 -6.054 13.707 -0.115 1.00 2.16 C ATOM 454 CE2 PHE A 562 -4.951 14.969 -1.879 1.00 2.35 C ATOM 455 CZ PHE A 562 -5.941 14.879 -0.883 1.00 1.34 C ATOM 0 H PHE A 562 -3.192 11.372 -4.323 1.00 0.84 H new ATOM 0 HA PHE A 562 -3.408 9.500 -2.037 1.00 0.81 H new ATOM 0 HB2 PHE A 562 -3.016 11.105 -0.572 1.00 0.97 H new ATOM 0 HB3 PHE A 562 -2.275 11.968 -1.906 1.00 0.97 H new ATOM 0 HD1 PHE A 562 -5.268 11.731 0.255 1.00 2.08 H new ATOM 0 HD2 PHE A 562 -3.315 13.963 -2.867 1.00 2.20 H new ATOM 0 HE1 PHE A 562 -6.815 13.634 0.648 1.00 2.16 H new ATOM 0 HE2 PHE A 562 -4.864 15.867 -2.473 1.00 2.35 H new ATOM 0 HZ PHE A 562 -6.612 15.707 -0.709 1.00 1.34 H new ATOM 465 N GLU A 563 -5.890 9.679 -1.814 1.00 0.73 N ATOM 466 CA GLU A 563 -7.342 9.436 -1.905 1.00 0.77 C ATOM 467 C GLU A 563 -8.040 9.570 -0.539 1.00 0.69 C ATOM 468 O GLU A 563 -7.413 9.469 0.511 1.00 0.74 O ATOM 469 CB GLU A 563 -7.615 8.054 -2.535 1.00 0.93 C ATOM 470 CG GLU A 563 -7.276 8.035 -4.033 1.00 1.79 C ATOM 471 CD GLU A 563 -7.618 6.704 -4.709 1.00 2.24 C ATOM 472 OE1 GLU A 563 -8.823 6.407 -4.909 1.00 2.55 O ATOM 473 OE2 GLU A 563 -6.677 5.987 -5.133 1.00 3.53 O ATOM 0 H GLU A 563 -5.465 9.263 -0.985 1.00 0.73 H new ATOM 0 HA GLU A 563 -7.765 10.205 -2.551 1.00 0.77 H new ATOM 0 HB2 GLU A 563 -7.026 7.296 -2.019 1.00 0.93 H new ATOM 0 HB3 GLU A 563 -8.664 7.792 -2.396 1.00 0.93 H new ATOM 0 HG2 GLU A 563 -7.817 8.839 -4.532 1.00 1.79 H new ATOM 0 HG3 GLU A 563 -6.213 8.238 -4.162 1.00 1.79 H new ATOM 480 N VAL A 564 -9.350 9.810 -0.541 1.00 0.71 N ATOM 481 CA VAL A 564 -10.202 9.959 0.646 1.00 0.64 C ATOM 482 C VAL A 564 -11.499 9.171 0.508 1.00 0.64 C ATOM 483 O VAL A 564 -12.145 9.176 -0.543 1.00 0.69 O ATOM 484 CB VAL A 564 -10.549 11.434 0.906 1.00 0.64 C ATOM 485 CG1 VAL A 564 -11.293 11.663 2.212 1.00 0.70 C ATOM 486 CG2 VAL A 564 -9.297 12.312 0.879 1.00 0.66 C ATOM 0 H VAL A 564 -9.875 9.911 -1.410 1.00 0.71 H new ATOM 0 HA VAL A 564 -9.630 9.566 1.487 1.00 0.64 H new ATOM 0 HB VAL A 564 -11.219 11.717 0.094 1.00 0.64 H new ATOM 0 HG11 VAL A 564 -11.504 12.726 2.329 1.00 0.70 H new ATOM 0 HG12 VAL A 564 -12.230 11.106 2.200 1.00 0.70 H new ATOM 0 HG13 VAL A 564 -10.679 11.322 3.045 1.00 0.70 H new ATOM 0 HG21 VAL A 564 -9.576 13.349 1.066 1.00 0.66 H new ATOM 0 HG22 VAL A 564 -8.602 11.978 1.650 1.00 0.66 H new ATOM 0 HG23 VAL A 564 -8.820 12.235 -0.098 1.00 0.66 H new ATOM 496 N PHE A 565 -11.932 8.579 1.616 1.00 0.63 N ATOM 497 CA PHE A 565 -13.231 7.918 1.764 1.00 0.68 C ATOM 498 C PHE A 565 -14.039 8.523 2.920 1.00 0.66 C ATOM 499 O PHE A 565 -13.468 8.872 3.950 1.00 0.67 O ATOM 500 CB PHE A 565 -13.011 6.412 1.911 1.00 0.73 C ATOM 501 CG PHE A 565 -12.499 5.772 0.633 1.00 0.73 C ATOM 502 CD1 PHE A 565 -11.122 5.789 0.322 1.00 1.80 C ATOM 503 CD2 PHE A 565 -13.403 5.139 -0.239 1.00 1.80 C ATOM 504 CE1 PHE A 565 -10.659 5.153 -0.844 1.00 1.77 C ATOM 505 CE2 PHE A 565 -12.937 4.495 -1.397 1.00 1.85 C ATOM 506 CZ PHE A 565 -11.561 4.481 -1.684 1.00 0.81 C ATOM 0 H PHE A 565 -11.371 8.543 2.467 1.00 0.63 H new ATOM 0 HA PHE A 565 -13.833 8.085 0.871 1.00 0.68 H new ATOM 0 HB2 PHE A 565 -12.299 6.229 2.716 1.00 0.73 H new ATOM 0 HB3 PHE A 565 -13.949 5.938 2.201 1.00 0.73 H new ATOM 0 HD1 PHE A 565 -10.425 6.289 0.978 1.00 1.80 H new ATOM 0 HD2 PHE A 565 -14.460 5.148 -0.017 1.00 1.80 H new ATOM 0 HE1 PHE A 565 -9.609 5.182 -1.093 1.00 1.77 H new ATOM 0 HE2 PHE A 565 -13.634 4.012 -2.065 1.00 1.85 H new ATOM 0 HZ PHE A 565 -11.197 3.952 -2.552 1.00 0.81 H new ATOM 516 N GLN A 566 -15.354 8.677 2.743 1.00 0.69 N ATOM 517 CA GLN A 566 -16.299 9.156 3.768 1.00 0.73 C ATOM 518 C GLN A 566 -16.731 8.001 4.710 1.00 0.71 C ATOM 519 O GLN A 566 -16.537 6.829 4.369 1.00 0.73 O ATOM 520 CB GLN A 566 -17.549 9.735 3.057 1.00 0.92 C ATOM 521 CG GLN A 566 -17.359 10.893 2.068 1.00 1.23 C ATOM 522 CD GLN A 566 -16.604 12.055 2.679 1.00 1.51 C ATOM 523 OE1 GLN A 566 -17.166 12.959 3.291 1.00 2.96 O ATOM 524 NE2 GLN A 566 -15.299 12.058 2.557 1.00 1.30 N ATOM 0 H GLN A 566 -15.810 8.466 1.855 1.00 0.69 H new ATOM 0 HA GLN A 566 -15.811 9.922 4.370 1.00 0.73 H new ATOM 0 HB2 GLN A 566 -18.034 8.918 2.522 1.00 0.92 H new ATOM 0 HB3 GLN A 566 -18.244 10.068 3.828 1.00 0.92 H new ATOM 0 HG2 GLN A 566 -16.820 10.534 1.191 1.00 1.23 H new ATOM 0 HG3 GLN A 566 -18.334 11.237 1.724 1.00 1.23 H new ATOM 0 HE21 GLN A 566 -14.833 11.307 2.049 1.00 1.30 H new ATOM 0 HE22 GLN A 566 -14.750 12.812 2.971 1.00 1.30 H new ATOM 533 N PRO A 567 -17.365 8.285 5.869 1.00 0.76 N ATOM 534 CA PRO A 567 -17.809 7.246 6.799 1.00 0.78 C ATOM 535 C PRO A 567 -18.778 6.238 6.158 1.00 0.80 C ATOM 536 O PRO A 567 -19.791 6.625 5.563 1.00 0.89 O ATOM 537 CB PRO A 567 -18.470 7.979 7.975 1.00 0.89 C ATOM 538 CG PRO A 567 -17.930 9.406 7.896 1.00 0.88 C ATOM 539 CD PRO A 567 -17.680 9.604 6.405 1.00 0.84 C ATOM 0 HA PRO A 567 -16.957 6.647 7.121 1.00 0.78 H new ATOM 0 HB2 PRO A 567 -19.557 7.962 7.892 1.00 0.89 H new ATOM 0 HB3 PRO A 567 -18.216 7.512 8.926 1.00 0.89 H new ATOM 0 HG2 PRO A 567 -18.647 10.130 8.283 1.00 0.88 H new ATOM 0 HG3 PRO A 567 -17.015 9.523 8.476 1.00 0.88 H new ATOM 0 HD2 PRO A 567 -18.558 10.024 5.915 1.00 0.84 H new ATOM 0 HD3 PRO A 567 -16.858 10.300 6.237 1.00 0.84 H new ATOM 547 N GLY A 568 -18.483 4.948 6.304 1.00 0.76 N ATOM 548 CA GLY A 568 -19.285 3.815 5.846 1.00 0.82 C ATOM 549 C GLY A 568 -18.831 3.251 4.500 1.00 0.85 C ATOM 550 O GLY A 568 -19.268 2.160 4.131 1.00 1.04 O ATOM 0 H GLY A 568 -17.628 4.648 6.772 1.00 0.76 H new ATOM 0 HA2 GLY A 568 -19.243 3.024 6.595 1.00 0.82 H new ATOM 0 HA3 GLY A 568 -20.327 4.126 5.768 1.00 0.82 H new ATOM 554 N ASP A 569 -17.954 3.946 3.768 1.00 0.76 N ATOM 555 CA ASP A 569 -17.661 3.616 2.380 1.00 0.79 C ATOM 556 C ASP A 569 -16.590 2.524 2.232 1.00 0.73 C ATOM 557 O ASP A 569 -15.497 2.617 2.796 1.00 0.70 O ATOM 558 CB ASP A 569 -17.320 4.890 1.586 1.00 0.83 C ATOM 559 CG ASP A 569 -17.394 4.704 0.064 1.00 0.94 C ATOM 560 OD1 ASP A 569 -17.965 3.693 -0.420 1.00 1.46 O ATOM 561 OD2 ASP A 569 -16.926 5.607 -0.667 1.00 1.86 O ATOM 0 H ASP A 569 -17.433 4.748 4.124 1.00 0.76 H new ATOM 0 HA ASP A 569 -18.565 3.183 1.951 1.00 0.79 H new ATOM 0 HB2 ASP A 569 -18.005 5.685 1.880 1.00 0.83 H new ATOM 0 HB3 ASP A 569 -16.316 5.218 1.855 1.00 0.83 H new ATOM 566 N TYR A 570 -16.903 1.487 1.457 1.00 0.78 N ATOM 567 CA TYR A 570 -15.959 0.430 1.070 1.00 0.77 C ATOM 568 C TYR A 570 -14.762 1.009 0.304 1.00 0.76 C ATOM 569 O TYR A 570 -14.942 1.664 -0.726 1.00 0.87 O ATOM 570 CB TYR A 570 -16.679 -0.646 0.247 1.00 0.90 C ATOM 571 CG TYR A 570 -17.504 -1.593 1.096 1.00 1.05 C ATOM 572 CD1 TYR A 570 -16.846 -2.562 1.874 1.00 2.14 C ATOM 573 CD2 TYR A 570 -18.910 -1.511 1.116 1.00 2.05 C ATOM 574 CE1 TYR A 570 -17.588 -3.445 2.678 1.00 2.30 C ATOM 575 CE2 TYR A 570 -19.658 -2.409 1.905 1.00 2.18 C ATOM 576 CZ TYR A 570 -18.998 -3.386 2.681 1.00 1.54 C ATOM 577 OH TYR A 570 -19.716 -4.282 3.409 1.00 1.84 O ATOM 0 H TYR A 570 -17.837 1.352 1.071 1.00 0.78 H new ATOM 0 HA TYR A 570 -15.570 -0.034 1.976 1.00 0.77 H new ATOM 0 HB2 TYR A 570 -17.329 -0.162 -0.483 1.00 0.90 H new ATOM 0 HB3 TYR A 570 -15.941 -1.220 -0.314 1.00 0.90 H new ATOM 0 HD1 TYR A 570 -15.768 -2.628 1.854 1.00 2.14 H new ATOM 0 HD2 TYR A 570 -19.415 -0.760 0.527 1.00 2.05 H new ATOM 0 HE1 TYR A 570 -17.078 -4.170 3.295 1.00 2.30 H new ATOM 0 HE2 TYR A 570 -20.736 -2.349 1.916 1.00 2.18 H new ATOM 0 HH TYR A 570 -20.673 -4.100 3.301 1.00 1.84 H new ATOM 587 N ILE A 571 -13.540 0.764 0.797 1.00 0.71 N ATOM 588 CA ILE A 571 -12.330 1.405 0.265 1.00 0.74 C ATOM 589 C ILE A 571 -11.668 0.617 -0.876 1.00 0.77 C ATOM 590 O ILE A 571 -10.987 1.201 -1.718 1.00 0.87 O ATOM 591 CB ILE A 571 -11.317 1.693 1.391 1.00 0.73 C ATOM 592 CG1 ILE A 571 -10.882 0.416 2.128 1.00 0.72 C ATOM 593 CG2 ILE A 571 -11.848 2.679 2.440 1.00 0.78 C ATOM 594 CD1 ILE A 571 -9.478 0.557 2.677 1.00 0.85 C ATOM 0 H ILE A 571 -13.363 0.121 1.569 1.00 0.71 H new ATOM 0 HA ILE A 571 -12.657 2.350 -0.169 1.00 0.74 H new ATOM 0 HB ILE A 571 -10.464 2.137 0.878 1.00 0.73 H new ATOM 0 HG12 ILE A 571 -11.576 0.208 2.943 1.00 0.72 H new ATOM 0 HG13 ILE A 571 -10.926 -0.434 1.447 1.00 0.72 H new ATOM 0 HG21 ILE A 571 -11.089 2.840 3.205 1.00 0.78 H new ATOM 0 HG22 ILE A 571 -12.086 3.628 1.960 1.00 0.78 H new ATOM 0 HG23 ILE A 571 -12.747 2.270 2.901 1.00 0.78 H new ATOM 0 HD11 ILE A 571 -9.195 -0.360 3.193 1.00 0.85 H new ATOM 0 HD12 ILE A 571 -8.783 0.741 1.857 1.00 0.85 H new ATOM 0 HD13 ILE A 571 -9.443 1.393 3.376 1.00 0.85 H new ATOM 606 N ILE A 572 -11.833 -0.711 -0.881 1.00 0.76 N ATOM 607 CA ILE A 572 -11.153 -1.661 -1.765 1.00 0.80 C ATOM 608 C ILE A 572 -12.156 -2.659 -2.355 1.00 1.05 C ATOM 609 O ILE A 572 -13.077 -3.114 -1.666 1.00 1.46 O ATOM 610 CB ILE A 572 -10.011 -2.376 -0.998 1.00 1.09 C ATOM 611 CG1 ILE A 572 -8.886 -1.361 -0.710 1.00 1.43 C ATOM 612 CG2 ILE A 572 -9.451 -3.565 -1.795 1.00 1.25 C ATOM 613 CD1 ILE A 572 -7.724 -1.871 0.150 1.00 1.16 C ATOM 0 H ILE A 572 -12.475 -1.173 -0.237 1.00 0.76 H new ATOM 0 HA ILE A 572 -10.707 -1.119 -2.599 1.00 0.80 H new ATOM 0 HB ILE A 572 -10.415 -2.767 -0.064 1.00 1.09 H new ATOM 0 HG12 ILE A 572 -8.483 -1.016 -1.662 1.00 1.43 H new ATOM 0 HG13 ILE A 572 -9.324 -0.494 -0.216 1.00 1.43 H new ATOM 0 HG21 ILE A 572 -8.653 -4.041 -1.226 1.00 1.25 H new ATOM 0 HG22 ILE A 572 -10.247 -4.287 -1.978 1.00 1.25 H new ATOM 0 HG23 ILE A 572 -9.056 -3.211 -2.747 1.00 1.25 H new ATOM 0 HD11 ILE A 572 -6.994 -1.073 0.286 1.00 1.16 H new ATOM 0 HD12 ILE A 572 -8.102 -2.187 1.122 1.00 1.16 H new ATOM 0 HD13 ILE A 572 -7.248 -2.717 -0.346 1.00 1.16 H new ATOM 625 N ARG A 573 -11.927 -3.037 -3.618 1.00 1.12 N ATOM 626 CA ARG A 573 -12.607 -4.137 -4.317 1.00 1.53 C ATOM 627 C ARG A 573 -11.630 -4.979 -5.143 1.00 1.28 C ATOM 628 O ARG A 573 -10.510 -4.557 -5.436 1.00 1.42 O ATOM 629 CB ARG A 573 -13.714 -3.582 -5.229 1.00 2.24 C ATOM 630 CG ARG A 573 -14.928 -3.031 -4.467 1.00 3.26 C ATOM 631 CD ARG A 573 -15.993 -2.647 -5.495 1.00 4.16 C ATOM 632 NE ARG A 573 -17.246 -2.194 -4.863 1.00 5.28 N ATOM 633 CZ ARG A 573 -18.453 -2.703 -5.021 1.00 6.25 C ATOM 634 NH1 ARG A 573 -18.691 -3.810 -5.658 1.00 6.52 N ATOM 635 NH2 ARG A 573 -19.475 -2.079 -4.524 1.00 7.42 N ATOM 0 H ARG A 573 -11.237 -2.568 -4.205 1.00 1.12 H new ATOM 0 HA ARG A 573 -13.047 -4.784 -3.558 1.00 1.53 H new ATOM 0 HB2 ARG A 573 -13.297 -2.789 -5.850 1.00 2.24 H new ATOM 0 HB3 ARG A 573 -14.047 -4.372 -5.902 1.00 2.24 H new ATOM 0 HG2 ARG A 573 -15.317 -3.779 -3.776 1.00 3.26 H new ATOM 0 HG3 ARG A 573 -14.643 -2.164 -3.871 1.00 3.26 H new ATOM 0 HD2 ARG A 573 -15.606 -1.856 -6.137 1.00 4.16 H new ATOM 0 HD3 ARG A 573 -16.201 -3.504 -6.136 1.00 4.16 H new ATOM 0 HE ARG A 573 -17.171 -1.396 -4.232 1.00 5.28 H new ATOM 0 HH11 ARG A 573 -17.921 -4.337 -6.070 1.00 6.52 H new ATOM 0 HH12 ARG A 573 -19.648 -4.152 -5.746 1.00 6.52 H new ATOM 0 HH21 ARG A 573 -19.341 -1.204 -4.017 1.00 7.42 H new ATOM 0 HH22 ARG A 573 -20.413 -2.463 -4.640 1.00 7.42 H new ATOM 649 N GLU A 574 -12.101 -6.145 -5.567 1.00 1.75 N ATOM 650 CA GLU A 574 -11.447 -7.013 -6.552 1.00 1.68 C ATOM 651 C GLU A 574 -11.885 -6.619 -7.981 1.00 2.23 C ATOM 652 O GLU A 574 -12.862 -5.882 -8.174 1.00 3.23 O ATOM 653 CB GLU A 574 -11.786 -8.482 -6.204 1.00 2.95 C ATOM 654 CG GLU A 574 -10.665 -9.499 -6.476 1.00 3.19 C ATOM 655 CD GLU A 574 -10.511 -9.860 -7.950 1.00 4.14 C ATOM 656 OE1 GLU A 574 -11.325 -10.641 -8.500 1.00 5.34 O ATOM 657 OE2 GLU A 574 -9.598 -9.319 -8.611 1.00 4.41 O ATOM 0 H GLU A 574 -12.981 -6.531 -5.225 1.00 1.75 H new ATOM 0 HA GLU A 574 -10.364 -6.896 -6.520 1.00 1.68 H new ATOM 0 HB2 GLU A 574 -12.054 -8.535 -5.149 1.00 2.95 H new ATOM 0 HB3 GLU A 574 -12.668 -8.778 -6.772 1.00 2.95 H new ATOM 0 HG2 GLU A 574 -9.722 -9.094 -6.110 1.00 3.19 H new ATOM 0 HG3 GLU A 574 -10.864 -10.407 -5.907 1.00 3.19 H new ATOM 664 N GLY A 575 -11.196 -7.121 -9.005 1.00 2.26 N ATOM 665 CA GLY A 575 -11.751 -7.212 -10.357 1.00 3.43 C ATOM 666 C GLY A 575 -10.755 -7.438 -11.495 1.00 3.31 C ATOM 667 O GLY A 575 -11.204 -7.649 -12.626 1.00 4.29 O ATOM 0 H GLY A 575 -10.243 -7.474 -8.923 1.00 2.26 H new ATOM 0 HA2 GLY A 575 -12.476 -8.026 -10.373 1.00 3.43 H new ATOM 0 HA3 GLY A 575 -12.299 -6.292 -10.562 1.00 3.43 H new ATOM 671 N THR A 576 -9.440 -7.354 -11.253 1.00 2.27 N ATOM 672 CA THR A 576 -8.439 -7.274 -12.338 1.00 2.36 C ATOM 673 C THR A 576 -6.991 -7.517 -11.899 1.00 1.98 C ATOM 674 O THR A 576 -6.623 -7.353 -10.735 1.00 1.89 O ATOM 675 CB THR A 576 -8.540 -5.909 -13.051 1.00 2.71 C ATOM 676 OG1 THR A 576 -7.769 -5.833 -14.230 1.00 3.02 O ATOM 677 CG2 THR A 576 -8.174 -4.722 -12.160 1.00 2.89 C ATOM 0 H THR A 576 -9.039 -7.339 -10.315 1.00 2.27 H new ATOM 0 HA THR A 576 -8.685 -8.091 -13.017 1.00 2.36 H new ATOM 0 HB THR A 576 -9.597 -5.842 -13.311 1.00 2.71 H new ATOM 0 HG1 THR A 576 -6.825 -5.713 -13.996 1.00 3.02 H new ATOM 0 HG21 THR A 576 -8.268 -3.797 -12.729 1.00 2.89 H new ATOM 0 HG22 THR A 576 -8.846 -4.690 -11.302 1.00 2.89 H new ATOM 0 HG23 THR A 576 -7.147 -4.831 -11.812 1.00 2.89 H new ATOM 685 N ILE A 577 -6.159 -7.839 -12.887 1.00 2.09 N ATOM 686 CA ILE A 577 -4.695 -7.692 -12.886 1.00 2.29 C ATOM 687 C ILE A 577 -4.318 -6.211 -13.119 1.00 2.52 C ATOM 688 O ILE A 577 -5.137 -5.412 -13.587 1.00 2.78 O ATOM 689 CB ILE A 577 -4.108 -8.688 -13.927 1.00 2.50 C ATOM 690 CG1 ILE A 577 -3.919 -10.092 -13.307 1.00 2.44 C ATOM 691 CG2 ILE A 577 -2.760 -8.276 -14.541 1.00 3.20 C ATOM 692 CD1 ILE A 577 -5.188 -10.746 -12.767 1.00 2.19 C ATOM 0 H ILE A 577 -6.503 -8.233 -13.763 1.00 2.09 H new ATOM 0 HA ILE A 577 -4.256 -7.948 -11.922 1.00 2.29 H new ATOM 0 HB ILE A 577 -4.849 -8.688 -14.726 1.00 2.50 H new ATOM 0 HG12 ILE A 577 -3.485 -10.748 -14.062 1.00 2.44 H new ATOM 0 HG13 ILE A 577 -3.195 -10.018 -12.495 1.00 2.44 H new ATOM 0 HG21 ILE A 577 -2.437 -9.036 -15.253 1.00 3.20 H new ATOM 0 HG22 ILE A 577 -2.871 -7.321 -15.055 1.00 3.20 H new ATOM 0 HG23 ILE A 577 -2.015 -8.179 -13.751 1.00 3.20 H new ATOM 0 HD11 ILE A 577 -4.945 -11.726 -12.355 1.00 2.19 H new ATOM 0 HD12 ILE A 577 -5.616 -10.119 -11.985 1.00 2.19 H new ATOM 0 HD13 ILE A 577 -5.910 -10.861 -13.575 1.00 2.19 H new ATOM 704 N GLY A 578 -3.087 -5.819 -12.770 1.00 2.75 N ATOM 705 CA GLY A 578 -2.617 -4.436 -12.898 1.00 3.09 C ATOM 706 C GLY A 578 -3.075 -3.578 -11.717 1.00 2.47 C ATOM 707 O GLY A 578 -3.676 -2.517 -11.914 1.00 2.87 O ATOM 0 H GLY A 578 -2.387 -6.455 -12.389 1.00 2.75 H new ATOM 0 HA2 GLY A 578 -1.529 -4.424 -12.957 1.00 3.09 H new ATOM 0 HA3 GLY A 578 -2.992 -4.008 -13.828 1.00 3.09 H new ATOM 711 N LYS A 579 -2.867 -4.074 -10.489 1.00 1.89 N ATOM 712 CA LYS A 579 -3.479 -3.557 -9.252 1.00 1.35 C ATOM 713 C LYS A 579 -2.466 -2.844 -8.335 1.00 1.20 C ATOM 714 O LYS A 579 -1.276 -3.153 -8.364 1.00 1.57 O ATOM 715 CB LYS A 579 -4.273 -4.683 -8.555 1.00 1.53 C ATOM 716 CG LYS A 579 -5.472 -4.077 -7.816 1.00 2.09 C ATOM 717 CD LYS A 579 -6.409 -5.084 -7.144 1.00 2.37 C ATOM 718 CE LYS A 579 -7.710 -4.422 -6.649 1.00 3.40 C ATOM 719 NZ LYS A 579 -7.473 -3.233 -5.790 1.00 4.24 N ATOM 0 H LYS A 579 -2.251 -4.869 -10.322 1.00 1.89 H new ATOM 0 HA LYS A 579 -4.188 -2.772 -9.515 1.00 1.35 H new ATOM 0 HB2 LYS A 579 -4.615 -5.411 -9.291 1.00 1.53 H new ATOM 0 HB3 LYS A 579 -3.631 -5.216 -7.854 1.00 1.53 H new ATOM 0 HG2 LYS A 579 -5.099 -3.391 -7.056 1.00 2.09 H new ATOM 0 HG3 LYS A 579 -6.051 -3.484 -8.524 1.00 2.09 H new ATOM 0 HD2 LYS A 579 -6.652 -5.879 -7.849 1.00 2.37 H new ATOM 0 HD3 LYS A 579 -5.897 -5.550 -6.302 1.00 2.37 H new ATOM 0 HE2 LYS A 579 -8.310 -4.126 -7.510 1.00 3.40 H new ATOM 0 HE3 LYS A 579 -8.293 -5.155 -6.091 1.00 3.40 H new ATOM 0 HZ1 LYS A 579 -8.377 -2.905 -5.394 1.00 4.24 H new ATOM 0 HZ2 LYS A 579 -6.828 -3.488 -5.015 1.00 4.24 H new ATOM 0 HZ3 LYS A 579 -7.048 -2.473 -6.359 1.00 4.24 H new ATOM 733 N LYS A 580 -2.938 -1.884 -7.527 1.00 0.98 N ATOM 734 CA LYS A 580 -2.114 -1.006 -6.674 1.00 0.96 C ATOM 735 C LYS A 580 -1.980 -1.479 -5.219 1.00 0.88 C ATOM 736 O LYS A 580 -2.808 -2.245 -4.719 1.00 1.05 O ATOM 737 CB LYS A 580 -2.682 0.426 -6.699 1.00 1.35 C ATOM 738 CG LYS A 580 -2.713 1.063 -8.097 1.00 1.49 C ATOM 739 CD LYS A 580 -2.722 2.597 -7.994 1.00 2.39 C ATOM 740 CE LYS A 580 -4.068 3.170 -7.538 1.00 3.25 C ATOM 741 NZ LYS A 580 -5.036 3.288 -8.653 1.00 3.42 N ATOM 0 H LYS A 580 -3.936 -1.688 -7.444 1.00 0.98 H new ATOM 0 HA LYS A 580 -1.110 -1.038 -7.096 1.00 0.96 H new ATOM 0 HB2 LYS A 580 -3.694 0.411 -6.295 1.00 1.35 H new ATOM 0 HB3 LYS A 580 -2.085 1.054 -6.038 1.00 1.35 H new ATOM 0 HG2 LYS A 580 -1.845 0.737 -8.670 1.00 1.49 H new ATOM 0 HG3 LYS A 580 -3.597 0.724 -8.637 1.00 1.49 H new ATOM 0 HD2 LYS A 580 -1.947 2.911 -7.295 1.00 2.39 H new ATOM 0 HD3 LYS A 580 -2.466 3.020 -8.965 1.00 2.39 H new ATOM 0 HE2 LYS A 580 -4.488 2.531 -6.761 1.00 3.25 H new ATOM 0 HE3 LYS A 580 -3.910 4.152 -7.092 1.00 3.25 H new ATOM 0 HZ1 LYS A 580 -5.931 3.680 -8.296 1.00 3.42 H new ATOM 0 HZ2 LYS A 580 -4.649 3.919 -9.384 1.00 3.42 H new ATOM 0 HZ3 LYS A 580 -5.209 2.348 -9.063 1.00 3.42 H new ATOM 755 N MET A 581 -0.980 -0.927 -4.522 1.00 0.85 N ATOM 756 CA MET A 581 -0.920 -0.888 -3.054 1.00 0.88 C ATOM 757 C MET A 581 -1.624 0.376 -2.526 1.00 0.78 C ATOM 758 O MET A 581 -1.607 1.419 -3.184 1.00 0.72 O ATOM 759 CB MET A 581 0.547 -0.940 -2.582 1.00 1.01 C ATOM 760 CG MET A 581 0.631 -0.987 -1.049 1.00 1.44 C ATOM 761 SD MET A 581 2.274 -1.115 -0.306 1.00 1.96 S ATOM 762 CE MET A 581 1.729 -0.925 1.414 1.00 1.49 C ATOM 0 H MET A 581 -0.175 -0.487 -4.969 1.00 0.85 H new ATOM 0 HA MET A 581 -1.439 -1.759 -2.653 1.00 0.88 H new ATOM 0 HB2 MET A 581 1.037 -1.817 -3.004 1.00 1.01 H new ATOM 0 HB3 MET A 581 1.083 -0.066 -2.952 1.00 1.01 H new ATOM 0 HG2 MET A 581 0.155 -0.088 -0.658 1.00 1.44 H new ATOM 0 HG3 MET A 581 0.040 -1.836 -0.706 1.00 1.44 H new ATOM 0 HE1 MET A 581 2.586 -1.025 2.080 1.00 1.49 H new ATOM 0 HE2 MET A 581 1.279 0.059 1.547 1.00 1.49 H new ATOM 0 HE3 MET A 581 0.994 -1.695 1.650 1.00 1.49 H new ATOM 772 N TYR A 582 -2.188 0.302 -1.316 1.00 0.83 N ATOM 773 CA TYR A 582 -2.824 1.433 -0.633 1.00 0.77 C ATOM 774 C TYR A 582 -2.413 1.459 0.849 1.00 0.79 C ATOM 775 O TYR A 582 -2.213 0.406 1.461 1.00 0.86 O ATOM 776 CB TYR A 582 -4.351 1.345 -0.776 1.00 0.78 C ATOM 777 CG TYR A 582 -4.899 1.377 -2.190 1.00 0.99 C ATOM 778 CD1 TYR A 582 -4.989 0.190 -2.943 1.00 2.03 C ATOM 779 CD2 TYR A 582 -5.378 2.586 -2.728 1.00 2.12 C ATOM 780 CE1 TYR A 582 -5.540 0.217 -4.238 1.00 2.24 C ATOM 781 CE2 TYR A 582 -5.947 2.611 -4.015 1.00 2.40 C ATOM 782 CZ TYR A 582 -6.026 1.427 -4.778 1.00 1.78 C ATOM 783 OH TYR A 582 -6.539 1.460 -6.039 1.00 2.25 O ATOM 0 H TYR A 582 -2.216 -0.562 -0.774 1.00 0.83 H new ATOM 0 HA TYR A 582 -2.489 2.361 -1.096 1.00 0.77 H new ATOM 0 HB2 TYR A 582 -4.686 0.423 -0.301 1.00 0.78 H new ATOM 0 HB3 TYR A 582 -4.794 2.170 -0.219 1.00 0.78 H new ATOM 0 HD1 TYR A 582 -4.635 -0.741 -2.526 1.00 2.03 H new ATOM 0 HD2 TYR A 582 -5.309 3.497 -2.152 1.00 2.12 H new ATOM 0 HE1 TYR A 582 -5.591 -0.691 -4.820 1.00 2.24 H new ATOM 0 HE2 TYR A 582 -6.324 3.539 -4.419 1.00 2.40 H new ATOM 0 HH TYR A 582 -6.828 2.372 -6.251 1.00 2.25 H new ATOM 793 N PHE A 583 -2.284 2.643 1.451 1.00 0.76 N ATOM 794 CA PHE A 583 -1.879 2.763 2.858 1.00 0.77 C ATOM 795 C PHE A 583 -2.539 3.952 3.577 1.00 0.71 C ATOM 796 O PHE A 583 -2.945 4.928 2.945 1.00 0.77 O ATOM 797 CB PHE A 583 -0.341 2.708 2.948 1.00 0.86 C ATOM 798 CG PHE A 583 0.446 3.860 2.347 1.00 1.07 C ATOM 799 CD1 PHE A 583 0.690 5.026 3.098 1.00 2.42 C ATOM 800 CD2 PHE A 583 1.021 3.722 1.068 1.00 1.96 C ATOM 801 CE1 PHE A 583 1.522 6.036 2.578 1.00 2.78 C ATOM 802 CE2 PHE A 583 1.859 4.729 0.554 1.00 2.19 C ATOM 803 CZ PHE A 583 2.121 5.880 1.316 1.00 1.99 C ATOM 0 H PHE A 583 -2.454 3.535 0.987 1.00 0.76 H new ATOM 0 HA PHE A 583 -2.260 1.910 3.420 1.00 0.77 H new ATOM 0 HB2 PHE A 583 -0.070 2.631 4.001 1.00 0.86 H new ATOM 0 HB3 PHE A 583 -0.010 1.789 2.465 1.00 0.86 H new ATOM 0 HD1 PHE A 583 0.239 5.145 4.072 1.00 2.42 H new ATOM 0 HD2 PHE A 583 0.818 2.840 0.480 1.00 1.96 H new ATOM 0 HE1 PHE A 583 1.701 6.934 3.151 1.00 2.78 H new ATOM 0 HE2 PHE A 583 2.300 4.617 -0.425 1.00 2.19 H new ATOM 0 HZ PHE A 583 2.782 6.644 0.933 1.00 1.99 H new ATOM 813 N ILE A 584 -2.727 3.833 4.898 1.00 0.66 N ATOM 814 CA ILE A 584 -3.588 4.719 5.696 1.00 0.66 C ATOM 815 C ILE A 584 -2.772 5.879 6.268 1.00 0.76 C ATOM 816 O ILE A 584 -1.928 5.674 7.140 1.00 0.81 O ATOM 817 CB ILE A 584 -4.332 3.938 6.810 1.00 0.64 C ATOM 818 CG1 ILE A 584 -4.950 2.634 6.252 1.00 0.59 C ATOM 819 CG2 ILE A 584 -5.445 4.842 7.389 1.00 0.63 C ATOM 820 CD1 ILE A 584 -5.767 1.844 7.270 1.00 0.60 C ATOM 0 H ILE A 584 -2.277 3.105 5.453 1.00 0.66 H new ATOM 0 HA ILE A 584 -4.352 5.134 5.039 1.00 0.66 H new ATOM 0 HB ILE A 584 -3.623 3.666 7.592 1.00 0.64 H new ATOM 0 HG12 ILE A 584 -5.588 2.882 5.404 1.00 0.59 H new ATOM 0 HG13 ILE A 584 -4.149 1.999 5.874 1.00 0.59 H new ATOM 0 HG21 ILE A 584 -5.978 4.306 8.174 1.00 0.63 H new ATOM 0 HG22 ILE A 584 -5.000 5.746 7.804 1.00 0.63 H new ATOM 0 HG23 ILE A 584 -6.143 5.112 6.597 1.00 0.63 H new ATOM 0 HD11 ILE A 584 -6.165 0.945 6.799 1.00 0.60 H new ATOM 0 HD12 ILE A 584 -5.130 1.563 8.108 1.00 0.60 H new ATOM 0 HD13 ILE A 584 -6.591 2.459 7.631 1.00 0.60 H new ATOM 832 N GLN A 585 -3.043 7.101 5.807 1.00 0.84 N ATOM 833 CA GLN A 585 -2.289 8.292 6.214 1.00 0.92 C ATOM 834 C GLN A 585 -2.902 8.941 7.463 1.00 0.92 C ATOM 835 O GLN A 585 -2.182 9.229 8.419 1.00 1.02 O ATOM 836 CB GLN A 585 -2.198 9.229 5.001 1.00 0.97 C ATOM 837 CG GLN A 585 -1.282 10.452 5.192 1.00 1.32 C ATOM 838 CD GLN A 585 -1.979 11.660 5.806 1.00 1.76 C ATOM 839 OE1 GLN A 585 -1.649 12.109 6.896 1.00 3.24 O ATOM 840 NE2 GLN A 585 -2.935 12.237 5.113 1.00 1.92 N ATOM 0 H GLN A 585 -3.791 7.295 5.141 1.00 0.84 H new ATOM 0 HA GLN A 585 -1.275 8.029 6.515 1.00 0.92 H new ATOM 0 HB2 GLN A 585 -1.841 8.657 4.145 1.00 0.97 H new ATOM 0 HB3 GLN A 585 -3.200 9.579 4.755 1.00 0.97 H new ATOM 0 HG2 GLN A 585 -0.443 10.168 5.827 1.00 1.32 H new ATOM 0 HG3 GLN A 585 -0.868 10.737 4.225 1.00 1.32 H new ATOM 0 HE21 GLN A 585 -3.206 11.859 4.205 1.00 1.92 H new ATOM 0 HE22 GLN A 585 -3.406 13.063 5.483 1.00 1.92 H new ATOM 849 N HIS A 586 -4.232 9.097 7.490 1.00 0.84 N ATOM 850 CA HIS A 586 -4.970 9.628 8.639 1.00 0.83 C ATOM 851 C HIS A 586 -6.441 9.181 8.624 1.00 0.74 C ATOM 852 O HIS A 586 -7.228 9.636 7.793 1.00 0.76 O ATOM 853 CB HIS A 586 -4.884 11.157 8.616 1.00 0.86 C ATOM 854 CG HIS A 586 -5.686 11.819 9.704 1.00 1.34 C ATOM 855 ND1 HIS A 586 -5.346 11.900 11.036 1.00 2.09 N ATOM 856 CD2 HIS A 586 -6.894 12.445 9.553 1.00 2.66 C ATOM 857 CE1 HIS A 586 -6.317 12.570 11.672 1.00 2.48 C ATOM 858 NE2 HIS A 586 -7.282 12.937 10.806 1.00 2.99 N ATOM 0 H HIS A 586 -4.832 8.854 6.702 1.00 0.84 H new ATOM 0 HA HIS A 586 -4.522 9.238 9.553 1.00 0.83 H new ATOM 0 HB2 HIS A 586 -3.840 11.456 8.712 1.00 0.86 H new ATOM 0 HB3 HIS A 586 -5.232 11.518 7.648 1.00 0.86 H new ATOM 0 HD2 HIS A 586 -7.449 12.542 8.632 1.00 2.66 H new ATOM 0 HE1 HIS A 586 -6.325 12.786 12.730 1.00 2.48 H new ATOM 0 HE2 HIS A 586 -8.127 13.467 11.020 1.00 2.99 H new ATOM 866 N GLY A 587 -6.821 8.314 9.559 1.00 0.74 N ATOM 867 CA GLY A 587 -8.192 7.897 9.820 1.00 0.75 C ATOM 868 C GLY A 587 -8.235 6.462 10.339 1.00 0.68 C ATOM 869 O GLY A 587 -7.222 5.918 10.788 1.00 0.75 O ATOM 0 H GLY A 587 -6.150 7.864 10.182 1.00 0.74 H new ATOM 0 HA2 GLY A 587 -8.647 8.566 10.550 1.00 0.75 H new ATOM 0 HA3 GLY A 587 -8.781 7.975 8.906 1.00 0.75 H new ATOM 873 N VAL A 588 -9.417 5.849 10.272 1.00 0.63 N ATOM 874 CA VAL A 588 -9.689 4.512 10.808 1.00 0.63 C ATOM 875 C VAL A 588 -10.590 3.751 9.830 1.00 0.59 C ATOM 876 O VAL A 588 -11.490 4.328 9.210 1.00 0.62 O ATOM 877 CB VAL A 588 -10.336 4.589 12.213 1.00 0.69 C ATOM 878 CG1 VAL A 588 -10.480 3.207 12.863 1.00 0.71 C ATOM 879 CG2 VAL A 588 -9.532 5.467 13.182 1.00 0.76 C ATOM 0 H VAL A 588 -10.232 6.277 9.833 1.00 0.63 H new ATOM 0 HA VAL A 588 -8.746 3.977 10.919 1.00 0.63 H new ATOM 0 HB VAL A 588 -11.319 5.028 12.042 1.00 0.69 H new ATOM 0 HG11 VAL A 588 -10.938 3.313 13.846 1.00 0.71 H new ATOM 0 HG12 VAL A 588 -11.108 2.574 12.236 1.00 0.71 H new ATOM 0 HG13 VAL A 588 -9.496 2.750 12.969 1.00 0.71 H new ATOM 0 HG21 VAL A 588 -10.029 5.487 14.152 1.00 0.76 H new ATOM 0 HG22 VAL A 588 -8.528 5.058 13.297 1.00 0.76 H new ATOM 0 HG23 VAL A 588 -9.467 6.481 12.786 1.00 0.76 H new ATOM 889 N VAL A 589 -10.356 2.451 9.682 1.00 0.57 N ATOM 890 CA VAL A 589 -11.142 1.547 8.830 1.00 0.55 C ATOM 891 C VAL A 589 -11.658 0.363 9.646 1.00 0.59 C ATOM 892 O VAL A 589 -10.965 -0.137 10.526 1.00 0.66 O ATOM 893 CB VAL A 589 -10.348 1.073 7.596 1.00 0.55 C ATOM 894 CG1 VAL A 589 -9.892 2.242 6.710 1.00 0.58 C ATOM 895 CG2 VAL A 589 -9.118 0.255 7.981 1.00 0.59 C ATOM 0 H VAL A 589 -9.592 1.977 10.164 1.00 0.57 H new ATOM 0 HA VAL A 589 -11.997 2.108 8.453 1.00 0.55 H new ATOM 0 HB VAL A 589 -11.041 0.445 7.035 1.00 0.55 H new ATOM 0 HG11 VAL A 589 -9.337 1.856 5.855 1.00 0.58 H new ATOM 0 HG12 VAL A 589 -10.764 2.793 6.358 1.00 0.58 H new ATOM 0 HG13 VAL A 589 -9.251 2.908 7.288 1.00 0.58 H new ATOM 0 HG21 VAL A 589 -8.591 -0.056 7.079 1.00 0.59 H new ATOM 0 HG22 VAL A 589 -8.455 0.863 8.597 1.00 0.59 H new ATOM 0 HG23 VAL A 589 -9.428 -0.626 8.543 1.00 0.59 H new ATOM 905 N SER A 590 -12.851 -0.110 9.310 1.00 0.61 N ATOM 906 CA SER A 590 -13.489 -1.307 9.874 1.00 0.79 C ATOM 907 C SER A 590 -13.513 -2.361 8.774 1.00 0.92 C ATOM 908 O SER A 590 -13.839 -2.108 7.614 1.00 0.80 O ATOM 909 CB SER A 590 -14.909 -1.006 10.364 1.00 0.96 C ATOM 910 OG SER A 590 -14.843 -0.058 11.409 1.00 1.06 O ATOM 0 H SER A 590 -13.432 0.346 8.606 1.00 0.61 H new ATOM 0 HA SER A 590 -12.929 -1.659 10.740 1.00 0.79 H new ATOM 0 HB2 SER A 590 -15.517 -0.622 9.545 1.00 0.96 H new ATOM 0 HB3 SER A 590 -15.388 -1.920 10.715 1.00 0.96 H new ATOM 0 HG SER A 590 -15.641 0.511 11.386 1.00 1.06 H new ATOM 916 N VAL A 591 -13.016 -3.532 9.118 1.00 1.16 N ATOM 917 CA VAL A 591 -12.228 -4.364 8.229 1.00 0.94 C ATOM 918 C VAL A 591 -12.618 -5.815 8.488 1.00 0.79 C ATOM 919 O VAL A 591 -12.974 -6.179 9.613 1.00 0.82 O ATOM 920 CB VAL A 591 -10.765 -4.049 8.576 1.00 1.22 C ATOM 921 CG1 VAL A 591 -10.476 -4.252 10.043 1.00 2.57 C ATOM 922 CG2 VAL A 591 -9.749 -4.970 8.013 1.00 1.05 C ATOM 0 H VAL A 591 -13.151 -3.941 10.043 1.00 1.16 H new ATOM 0 HA VAL A 591 -12.389 -4.182 7.167 1.00 0.94 H new ATOM 0 HB VAL A 591 -10.685 -3.033 8.189 1.00 1.22 H new ATOM 0 HG11 VAL A 591 -9.431 -4.018 10.244 1.00 2.57 H new ATOM 0 HG12 VAL A 591 -11.115 -3.596 10.634 1.00 2.57 H new ATOM 0 HG13 VAL A 591 -10.674 -5.289 10.313 1.00 2.57 H new ATOM 0 HG21 VAL A 591 -8.755 -4.649 8.324 1.00 1.05 H new ATOM 0 HG22 VAL A 591 -9.934 -5.981 8.375 1.00 1.05 H new ATOM 0 HG23 VAL A 591 -9.810 -4.958 6.925 1.00 1.05 H new ATOM 932 N LEU A 592 -12.520 -6.656 7.471 1.00 0.85 N ATOM 933 CA LEU A 592 -12.764 -8.082 7.621 1.00 1.09 C ATOM 934 C LEU A 592 -11.598 -8.854 7.005 1.00 1.26 C ATOM 935 O LEU A 592 -11.288 -8.634 5.832 1.00 1.21 O ATOM 936 CB LEU A 592 -14.068 -8.499 6.892 1.00 1.27 C ATOM 937 CG LEU A 592 -15.443 -7.927 7.290 1.00 1.39 C ATOM 938 CD1 LEU A 592 -15.770 -8.148 8.763 1.00 1.54 C ATOM 939 CD2 LEU A 592 -15.659 -6.453 6.938 1.00 1.51 C ATOM 0 H LEU A 592 -12.271 -6.372 6.524 1.00 0.85 H new ATOM 0 HA LEU A 592 -12.862 -8.307 8.683 1.00 1.09 H new ATOM 0 HB2 LEU A 592 -13.925 -8.269 5.836 1.00 1.27 H new ATOM 0 HB3 LEU A 592 -14.142 -9.583 6.975 1.00 1.27 H new ATOM 0 HG LEU A 592 -16.134 -8.503 6.674 1.00 1.39 H new ATOM 0 HD11 LEU A 592 -16.749 -7.725 8.986 1.00 1.54 H new ATOM 0 HD12 LEU A 592 -15.779 -9.217 8.977 1.00 1.54 H new ATOM 0 HD13 LEU A 592 -15.015 -7.661 9.380 1.00 1.54 H new ATOM 0 HD21 LEU A 592 -16.654 -6.145 7.258 1.00 1.51 H new ATOM 0 HD22 LEU A 592 -14.910 -5.844 7.445 1.00 1.51 H new ATOM 0 HD23 LEU A 592 -15.566 -6.319 5.860 1.00 1.51 H new ATOM 951 N THR A 593 -10.978 -9.778 7.744 1.00 1.60 N ATOM 952 CA THR A 593 -10.103 -10.801 7.122 1.00 1.85 C ATOM 953 C THR A 593 -10.817 -12.105 6.737 1.00 2.05 C ATOM 954 O THR A 593 -11.484 -12.738 7.566 1.00 2.18 O ATOM 955 CB THR A 593 -8.855 -11.095 7.960 1.00 2.04 C ATOM 956 OG1 THR A 593 -9.130 -11.050 9.345 1.00 1.99 O ATOM 957 CG2 THR A 593 -7.772 -10.071 7.634 1.00 2.07 C ATOM 0 H THR A 593 -11.057 -9.847 8.759 1.00 1.60 H new ATOM 0 HA THR A 593 -9.789 -10.341 6.185 1.00 1.85 H new ATOM 0 HB THR A 593 -8.518 -12.102 7.713 1.00 2.04 H new ATOM 0 HG1 THR A 593 -8.311 -11.244 9.848 1.00 1.99 H new ATOM 0 HG21 THR A 593 -6.883 -10.279 8.230 1.00 2.07 H new ATOM 0 HG22 THR A 593 -7.521 -10.131 6.575 1.00 2.07 H new ATOM 0 HG23 THR A 593 -8.137 -9.070 7.864 1.00 2.07 H new ATOM 965 N LYS A 594 -10.625 -12.563 5.489 1.00 2.20 N ATOM 966 CA LYS A 594 -11.080 -13.885 5.009 1.00 2.49 C ATOM 967 C LYS A 594 -10.548 -15.020 5.888 1.00 2.96 C ATOM 968 O LYS A 594 -9.444 -14.921 6.429 1.00 3.78 O ATOM 969 CB LYS A 594 -10.778 -14.104 3.511 1.00 2.58 C ATOM 970 CG LYS A 594 -9.360 -14.570 3.128 1.00 2.90 C ATOM 971 CD LYS A 594 -8.277 -13.530 3.435 1.00 2.93 C ATOM 972 CE LYS A 594 -6.912 -13.824 2.814 1.00 3.46 C ATOM 973 NZ LYS A 594 -6.286 -15.080 3.299 1.00 4.00 N ATOM 0 H LYS A 594 -10.143 -12.020 4.773 1.00 2.20 H new ATOM 0 HA LYS A 594 -12.166 -13.899 5.100 1.00 2.49 H new ATOM 0 HB2 LYS A 594 -11.487 -14.839 3.130 1.00 2.58 H new ATOM 0 HB3 LYS A 594 -10.976 -13.168 2.988 1.00 2.58 H new ATOM 0 HG2 LYS A 594 -9.131 -15.492 3.663 1.00 2.90 H new ATOM 0 HG3 LYS A 594 -9.337 -14.805 2.064 1.00 2.90 H new ATOM 0 HD2 LYS A 594 -8.618 -12.556 3.084 1.00 2.93 H new ATOM 0 HD3 LYS A 594 -8.160 -13.456 4.516 1.00 2.93 H new ATOM 0 HE2 LYS A 594 -7.021 -13.879 1.731 1.00 3.46 H new ATOM 0 HE3 LYS A 594 -6.241 -12.991 3.025 1.00 3.46 H new ATOM 0 HZ1 LYS A 594 -5.365 -15.211 2.834 1.00 4.00 H new ATOM 0 HZ2 LYS A 594 -6.149 -15.025 4.328 1.00 4.00 H new ATOM 0 HZ3 LYS A 594 -6.905 -15.885 3.075 1.00 4.00 H new ATOM 987 N GLY A 595 -11.356 -16.059 6.094 1.00 3.11 N ATOM 988 CA GLY A 595 -11.105 -17.094 7.106 1.00 3.46 C ATOM 989 C GLY A 595 -11.464 -16.695 8.535 1.00 3.34 C ATOM 990 O GLY A 595 -11.719 -17.561 9.372 1.00 3.58 O ATOM 0 H GLY A 595 -12.212 -16.211 5.560 1.00 3.11 H new ATOM 0 HA2 GLY A 595 -11.671 -17.987 6.840 1.00 3.46 H new ATOM 0 HA3 GLY A 595 -10.050 -17.365 7.074 1.00 3.46 H new ATOM 994 N ASN A 596 -11.440 -15.393 8.822 1.00 3.00 N ATOM 995 CA ASN A 596 -11.022 -14.867 10.108 1.00 2.92 C ATOM 996 C ASN A 596 -12.032 -13.808 10.596 1.00 2.65 C ATOM 997 O ASN A 596 -13.188 -14.135 10.875 1.00 2.88 O ATOM 998 CB ASN A 596 -9.601 -14.302 9.949 1.00 2.86 C ATOM 999 CG ASN A 596 -8.457 -15.205 9.522 1.00 3.18 C ATOM 1000 OD1 ASN A 596 -8.562 -16.412 9.353 1.00 3.53 O ATOM 1001 ND2 ASN A 596 -7.299 -14.604 9.380 1.00 3.17 N ATOM 0 H ASN A 596 -11.715 -14.671 8.156 1.00 3.00 H new ATOM 0 HA ASN A 596 -11.001 -15.648 10.868 1.00 2.92 H new ATOM 0 HB2 ASN A 596 -9.657 -13.489 9.225 1.00 2.86 H new ATOM 0 HB3 ASN A 596 -9.322 -13.859 10.905 1.00 2.86 H new ATOM 0 HD21 ASN A 596 -6.472 -15.144 9.126 1.00 3.17 H new ATOM 0 HD22 ASN A 596 -7.226 -13.597 9.524 1.00 3.17 H new ATOM 1008 N LYS A 597 -11.556 -12.579 10.844 1.00 2.47 N ATOM 1009 CA LYS A 597 -12.095 -11.669 11.855 1.00 2.35 C ATOM 1010 C LYS A 597 -12.961 -10.563 11.292 1.00 1.72 C ATOM 1011 O LYS A 597 -12.994 -10.306 10.090 1.00 1.83 O ATOM 1012 CB LYS A 597 -10.979 -11.071 12.748 1.00 3.01 C ATOM 1013 CG LYS A 597 -9.679 -11.854 12.973 1.00 4.39 C ATOM 1014 CD LYS A 597 -9.717 -13.161 13.785 1.00 3.59 C ATOM 1015 CE LYS A 597 -10.830 -14.139 13.459 1.00 2.88 C ATOM 1016 NZ LYS A 597 -10.799 -15.296 14.379 1.00 3.48 N ATOM 0 H LYS A 597 -10.766 -12.185 10.333 1.00 2.47 H new ATOM 0 HA LYS A 597 -12.746 -12.292 12.468 1.00 2.35 H new ATOM 0 HB2 LYS A 597 -10.707 -10.104 12.324 1.00 3.01 H new ATOM 0 HB3 LYS A 597 -11.416 -10.878 13.728 1.00 3.01 H new ATOM 0 HG2 LYS A 597 -9.265 -12.090 11.993 1.00 4.39 H new ATOM 0 HG3 LYS A 597 -8.974 -11.184 13.464 1.00 4.39 H new ATOM 0 HD2 LYS A 597 -8.765 -13.673 13.648 1.00 3.59 H new ATOM 0 HD3 LYS A 597 -9.791 -12.902 14.841 1.00 3.59 H new ATOM 0 HE2 LYS A 597 -11.795 -13.637 13.532 1.00 2.88 H new ATOM 0 HE3 LYS A 597 -10.727 -14.484 12.430 1.00 2.88 H new ATOM 0 HZ1 LYS A 597 -11.569 -15.952 14.138 1.00 3.48 H new ATOM 0 HZ2 LYS A 597 -9.886 -15.786 14.290 1.00 3.48 H new ATOM 0 HZ3 LYS A 597 -10.920 -14.965 15.357 1.00 3.48 H new ATOM 1030 N GLU A 598 -13.543 -9.841 12.235 1.00 1.70 N ATOM 1031 CA GLU A 598 -13.943 -8.454 12.065 1.00 1.39 C ATOM 1032 C GLU A 598 -13.101 -7.578 13.005 1.00 1.11 C ATOM 1033 O GLU A 598 -13.010 -7.824 14.212 1.00 1.15 O ATOM 1034 CB GLU A 598 -15.461 -8.288 12.214 1.00 1.95 C ATOM 1035 CG GLU A 598 -15.983 -8.604 13.619 1.00 2.50 C ATOM 1036 CD GLU A 598 -17.416 -9.136 13.568 1.00 3.38 C ATOM 1037 OE1 GLU A 598 -18.352 -8.372 13.214 1.00 3.19 O ATOM 1038 OE2 GLU A 598 -17.622 -10.333 13.889 1.00 4.84 O ATOM 0 H GLU A 598 -13.755 -10.211 13.161 1.00 1.70 H new ATOM 0 HA GLU A 598 -13.739 -8.115 11.049 1.00 1.39 H new ATOM 0 HB2 GLU A 598 -15.732 -7.264 11.958 1.00 1.95 H new ATOM 0 HB3 GLU A 598 -15.960 -8.939 11.496 1.00 1.95 H new ATOM 0 HG2 GLU A 598 -15.335 -9.341 14.094 1.00 2.50 H new ATOM 0 HG3 GLU A 598 -15.947 -7.705 14.234 1.00 2.50 H new ATOM 1045 N MET A 599 -12.416 -6.607 12.412 1.00 0.97 N ATOM 1046 CA MET A 599 -11.377 -5.765 13.013 1.00 0.95 C ATOM 1047 C MET A 599 -11.652 -4.273 12.789 1.00 1.12 C ATOM 1048 O MET A 599 -12.590 -3.893 12.076 1.00 1.63 O ATOM 1049 CB MET A 599 -9.975 -6.253 12.596 1.00 0.98 C ATOM 1050 CG MET A 599 -9.534 -7.477 13.403 1.00 1.35 C ATOM 1051 SD MET A 599 -7.967 -8.218 12.857 1.00 1.68 S ATOM 1052 CE MET A 599 -8.293 -8.473 11.090 1.00 1.66 C ATOM 0 H MET A 599 -12.579 -6.368 11.434 1.00 0.97 H new ATOM 0 HA MET A 599 -11.405 -5.873 14.097 1.00 0.95 H new ATOM 0 HB2 MET A 599 -9.977 -6.500 11.534 1.00 0.98 H new ATOM 0 HB3 MET A 599 -9.254 -5.447 12.735 1.00 0.98 H new ATOM 0 HG2 MET A 599 -9.440 -7.191 14.450 1.00 1.35 H new ATOM 0 HG3 MET A 599 -10.317 -8.233 13.348 1.00 1.35 H new ATOM 0 HE1 MET A 599 -7.602 -9.219 10.696 1.00 1.66 H new ATOM 0 HE2 MET A 599 -9.317 -8.820 10.955 1.00 1.66 H new ATOM 0 HE3 MET A 599 -8.155 -7.533 10.555 1.00 1.66 H new ATOM 1062 N LYS A 600 -10.827 -3.426 13.403 1.00 0.92 N ATOM 1063 CA LYS A 600 -10.314 -2.175 12.865 1.00 0.89 C ATOM 1064 C LYS A 600 -8.858 -2.248 12.409 1.00 1.02 C ATOM 1065 O LYS A 600 -8.077 -3.080 12.867 1.00 1.30 O ATOM 1066 CB LYS A 600 -10.426 -1.080 13.950 1.00 0.94 C ATOM 1067 CG LYS A 600 -11.643 -0.170 13.847 1.00 0.94 C ATOM 1068 CD LYS A 600 -13.003 -0.854 13.908 1.00 1.04 C ATOM 1069 CE LYS A 600 -13.229 -1.588 15.233 1.00 1.29 C ATOM 1070 NZ LYS A 600 -14.658 -1.931 15.402 1.00 1.91 N ATOM 0 H LYS A 600 -10.481 -3.609 14.345 1.00 0.92 H new ATOM 0 HA LYS A 600 -10.915 -1.948 11.985 1.00 0.89 H new ATOM 0 HB2 LYS A 600 -10.438 -1.563 14.927 1.00 0.94 H new ATOM 0 HB3 LYS A 600 -9.529 -0.462 13.910 1.00 0.94 H new ATOM 0 HG2 LYS A 600 -11.592 0.563 14.652 1.00 0.94 H new ATOM 0 HG3 LYS A 600 -11.579 0.382 12.909 1.00 0.94 H new ATOM 0 HD2 LYS A 600 -13.787 -0.110 13.770 1.00 1.04 H new ATOM 0 HD3 LYS A 600 -13.087 -1.563 13.084 1.00 1.04 H new ATOM 0 HE2 LYS A 600 -12.626 -2.496 15.259 1.00 1.29 H new ATOM 0 HE3 LYS A 600 -12.899 -0.962 16.062 1.00 1.29 H new ATOM 0 HZ1 LYS A 600 -14.791 -2.428 16.306 1.00 1.91 H new ATOM 0 HZ2 LYS A 600 -15.227 -1.060 15.399 1.00 1.91 H new ATOM 0 HZ3 LYS A 600 -14.962 -2.546 14.621 1.00 1.91 H new ATOM 1084 N LEU A 601 -8.516 -1.288 11.555 1.00 0.86 N ATOM 1085 CA LEU A 601 -7.157 -0.833 11.223 1.00 0.84 C ATOM 1086 C LEU A 601 -7.098 0.702 11.370 1.00 0.78 C ATOM 1087 O LEU A 601 -8.090 1.387 11.114 1.00 0.74 O ATOM 1088 CB LEU A 601 -6.775 -1.269 9.788 1.00 0.83 C ATOM 1089 CG LEU A 601 -5.665 -2.323 9.661 1.00 0.87 C ATOM 1090 CD1 LEU A 601 -6.122 -3.683 10.175 1.00 0.97 C ATOM 1091 CD2 LEU A 601 -5.297 -2.485 8.185 1.00 0.91 C ATOM 0 H LEU A 601 -9.225 -0.768 11.038 1.00 0.86 H new ATOM 0 HA LEU A 601 -6.438 -1.287 11.905 1.00 0.84 H new ATOM 0 HB2 LEU A 601 -7.670 -1.656 9.300 1.00 0.83 H new ATOM 0 HB3 LEU A 601 -6.468 -0.382 9.233 1.00 0.83 H new ATOM 0 HG LEU A 601 -4.815 -1.984 10.253 1.00 0.87 H new ATOM 0 HD11 LEU A 601 -5.311 -4.403 10.069 1.00 0.97 H new ATOM 0 HD12 LEU A 601 -6.399 -3.600 11.226 1.00 0.97 H new ATOM 0 HD13 LEU A 601 -6.983 -4.019 9.598 1.00 0.97 H new ATOM 0 HD21 LEU A 601 -4.509 -3.232 8.086 1.00 0.91 H new ATOM 0 HD22 LEU A 601 -6.175 -2.807 7.624 1.00 0.91 H new ATOM 0 HD23 LEU A 601 -4.945 -1.532 7.791 1.00 0.91 H new ATOM 1103 N SER A 602 -5.942 1.251 11.742 1.00 0.84 N ATOM 1104 CA SER A 602 -5.744 2.696 11.985 1.00 0.85 C ATOM 1105 C SER A 602 -4.594 3.286 11.167 1.00 0.85 C ATOM 1106 O SER A 602 -3.831 2.561 10.526 1.00 0.90 O ATOM 1107 CB SER A 602 -5.525 2.951 13.480 1.00 0.97 C ATOM 1108 OG SER A 602 -4.394 2.243 13.956 1.00 1.65 O ATOM 0 H SER A 602 -5.096 0.701 11.888 1.00 0.84 H new ATOM 0 HA SER A 602 -6.651 3.203 11.655 1.00 0.85 H new ATOM 0 HB2 SER A 602 -5.390 4.018 13.654 1.00 0.97 H new ATOM 0 HB3 SER A 602 -6.410 2.646 14.038 1.00 0.97 H new ATOM 0 HG SER A 602 -4.274 2.423 14.912 1.00 1.65 H new ATOM 1114 N ASP A 603 -4.444 4.610 11.187 1.00 0.89 N ATOM 1115 CA ASP A 603 -3.370 5.310 10.472 1.00 0.94 C ATOM 1116 C ASP A 603 -1.971 4.741 10.767 1.00 0.99 C ATOM 1117 O ASP A 603 -1.668 4.339 11.896 1.00 1.10 O ATOM 1118 CB ASP A 603 -3.433 6.819 10.716 1.00 1.06 C ATOM 1119 CG ASP A 603 -3.059 7.248 12.135 1.00 1.22 C ATOM 1120 OD1 ASP A 603 -3.778 6.889 13.097 1.00 2.07 O ATOM 1121 OD2 ASP A 603 -2.100 8.039 12.298 1.00 1.48 O ATOM 0 H ASP A 603 -5.066 5.233 11.702 1.00 0.89 H new ATOM 0 HA ASP A 603 -3.543 5.133 9.410 1.00 0.94 H new ATOM 0 HB2 ASP A 603 -2.766 7.316 10.012 1.00 1.06 H new ATOM 0 HB3 ASP A 603 -4.443 7.168 10.499 1.00 1.06 H new ATOM 1126 N GLY A 604 -1.148 4.658 9.719 1.00 0.99 N ATOM 1127 CA GLY A 604 0.109 3.907 9.696 1.00 1.09 C ATOM 1128 C GLY A 604 -0.015 2.445 9.241 1.00 1.00 C ATOM 1129 O GLY A 604 1.002 1.815 8.948 1.00 1.09 O ATOM 0 H GLY A 604 -1.345 5.127 8.835 1.00 0.99 H new ATOM 0 HA2 GLY A 604 0.808 4.419 9.035 1.00 1.09 H new ATOM 0 HA3 GLY A 604 0.544 3.925 10.695 1.00 1.09 H new ATOM 1133 N SER A 605 -1.233 1.901 9.153 1.00 0.91 N ATOM 1134 CA SER A 605 -1.503 0.569 8.590 1.00 0.84 C ATOM 1135 C SER A 605 -1.536 0.593 7.055 1.00 0.80 C ATOM 1136 O SER A 605 -1.656 1.655 6.439 1.00 0.80 O ATOM 1137 CB SER A 605 -2.838 0.030 9.104 1.00 0.78 C ATOM 1138 OG SER A 605 -2.909 0.055 10.518 1.00 0.86 O ATOM 0 H SER A 605 -2.074 2.379 9.475 1.00 0.91 H new ATOM 0 HA SER A 605 -0.689 -0.081 8.911 1.00 0.84 H new ATOM 0 HB2 SER A 605 -3.653 0.623 8.689 1.00 0.78 H new ATOM 0 HB3 SER A 605 -2.977 -0.992 8.752 1.00 0.78 H new ATOM 0 HG SER A 605 -3.271 0.917 10.812 1.00 0.86 H new ATOM 1144 N TYR A 606 -1.468 -0.577 6.419 1.00 0.81 N ATOM 1145 CA TYR A 606 -1.450 -0.710 4.957 1.00 0.83 C ATOM 1146 C TYR A 606 -2.067 -2.024 4.457 1.00 0.90 C ATOM 1147 O TYR A 606 -2.143 -3.015 5.184 1.00 1.04 O ATOM 1148 CB TYR A 606 -0.008 -0.560 4.459 1.00 1.02 C ATOM 1149 CG TYR A 606 0.939 -1.610 5.002 1.00 1.19 C ATOM 1150 CD1 TYR A 606 1.621 -1.370 6.211 1.00 2.66 C ATOM 1151 CD2 TYR A 606 1.069 -2.855 4.358 1.00 1.76 C ATOM 1152 CE1 TYR A 606 2.373 -2.395 6.809 1.00 3.28 C ATOM 1153 CE2 TYR A 606 1.834 -3.875 4.950 1.00 2.27 C ATOM 1154 CZ TYR A 606 2.457 -3.664 6.197 1.00 2.68 C ATOM 1155 OH TYR A 606 3.100 -4.691 6.816 1.00 3.55 O ATOM 0 H TYR A 606 -1.423 -1.471 6.908 1.00 0.81 H new ATOM 0 HA TYR A 606 -2.076 0.083 4.547 1.00 0.83 H new ATOM 0 HB2 TYR A 606 -0.003 -0.608 3.370 1.00 1.02 H new ATOM 0 HB3 TYR A 606 0.361 0.427 4.736 1.00 1.02 H new ATOM 0 HD1 TYR A 606 1.566 -0.398 6.678 1.00 2.66 H new ATOM 0 HD2 TYR A 606 0.581 -3.026 3.410 1.00 1.76 H new ATOM 0 HE1 TYR A 606 2.889 -2.211 7.740 1.00 3.28 H new ATOM 0 HE2 TYR A 606 1.945 -4.824 4.447 1.00 2.27 H new ATOM 0 HH TYR A 606 3.059 -5.491 6.251 1.00 3.55 H new ATOM 1165 N PHE A 607 -2.513 -2.024 3.198 1.00 0.88 N ATOM 1166 CA PHE A 607 -3.258 -3.129 2.575 1.00 1.02 C ATOM 1167 C PHE A 607 -3.186 -3.140 1.026 1.00 1.17 C ATOM 1168 O PHE A 607 -2.511 -2.330 0.386 1.00 1.46 O ATOM 1169 CB PHE A 607 -4.713 -3.096 3.107 1.00 1.32 C ATOM 1170 CG PHE A 607 -5.369 -1.730 3.251 1.00 0.94 C ATOM 1171 CD1 PHE A 607 -5.132 -0.705 2.316 1.00 2.02 C ATOM 1172 CD2 PHE A 607 -6.220 -1.479 4.343 1.00 1.93 C ATOM 1173 CE1 PHE A 607 -5.698 0.566 2.493 1.00 2.30 C ATOM 1174 CE2 PHE A 607 -6.803 -0.212 4.504 1.00 1.72 C ATOM 1175 CZ PHE A 607 -6.524 0.818 3.595 1.00 1.14 C ATOM 0 H PHE A 607 -2.364 -1.238 2.565 1.00 0.88 H new ATOM 0 HA PHE A 607 -2.784 -4.068 2.860 1.00 1.02 H new ATOM 0 HB2 PHE A 607 -5.330 -3.699 2.441 1.00 1.32 H new ATOM 0 HB3 PHE A 607 -4.727 -3.582 4.082 1.00 1.32 H new ATOM 0 HD1 PHE A 607 -4.509 -0.899 1.455 1.00 2.02 H new ATOM 0 HD2 PHE A 607 -6.425 -2.262 5.058 1.00 1.93 H new ATOM 0 HE1 PHE A 607 -5.497 1.351 1.779 1.00 2.30 H new ATOM 0 HE2 PHE A 607 -7.471 -0.030 5.333 1.00 1.72 H new ATOM 0 HZ PHE A 607 -6.944 1.802 3.744 1.00 1.14 H new ATOM 1185 N GLY A 608 -3.886 -4.094 0.409 1.00 1.37 N ATOM 1186 CA GLY A 608 -4.107 -4.211 -1.039 1.00 1.77 C ATOM 1187 C GLY A 608 -3.076 -5.045 -1.813 1.00 2.34 C ATOM 1188 O GLY A 608 -3.458 -5.711 -2.776 1.00 3.30 O ATOM 0 H GLY A 608 -4.338 -4.845 0.930 1.00 1.37 H new ATOM 0 HA2 GLY A 608 -5.093 -4.647 -1.202 1.00 1.77 H new ATOM 0 HA3 GLY A 608 -4.127 -3.208 -1.465 1.00 1.77 H new ATOM 1192 N GLU A 609 -1.807 -5.064 -1.396 1.00 2.83 N ATOM 1193 CA GLU A 609 -0.709 -5.811 -2.040 1.00 3.53 C ATOM 1194 C GLU A 609 0.254 -6.407 -0.990 1.00 2.87 C ATOM 1195 O GLU A 609 0.364 -5.925 0.145 1.00 3.75 O ATOM 1196 CB GLU A 609 0.002 -4.889 -3.055 1.00 5.66 C ATOM 1197 CG GLU A 609 1.224 -5.445 -3.815 1.00 7.15 C ATOM 1198 CD GLU A 609 0.937 -6.674 -4.689 1.00 7.60 C ATOM 1199 OE1 GLU A 609 0.832 -7.788 -4.122 1.00 7.40 O ATOM 1200 OE2 GLU A 609 0.826 -6.508 -5.927 1.00 8.64 O ATOM 0 H GLU A 609 -1.500 -4.544 -0.574 1.00 2.83 H new ATOM 0 HA GLU A 609 -1.113 -6.664 -2.586 1.00 3.53 H new ATOM 0 HB2 GLU A 609 -0.736 -4.577 -3.794 1.00 5.66 H new ATOM 0 HB3 GLU A 609 0.320 -3.992 -2.524 1.00 5.66 H new ATOM 0 HG2 GLU A 609 1.631 -4.655 -4.446 1.00 7.15 H new ATOM 0 HG3 GLU A 609 1.997 -5.704 -3.091 1.00 7.15 H new ATOM 1207 N ILE A 610 0.919 -7.501 -1.361 1.00 2.54 N ATOM 1208 CA ILE A 610 1.783 -8.325 -0.509 1.00 2.97 C ATOM 1209 C ILE A 610 3.269 -8.106 -0.861 1.00 3.65 C ATOM 1210 O ILE A 610 4.108 -7.990 0.040 1.00 5.00 O ATOM 1211 CB ILE A 610 1.308 -9.797 -0.620 1.00 3.40 C ATOM 1212 CG1 ILE A 610 0.077 -10.092 0.270 1.00 4.30 C ATOM 1213 CG2 ILE A 610 2.411 -10.806 -0.257 1.00 4.39 C ATOM 1214 CD1 ILE A 610 -1.243 -9.430 -0.144 1.00 4.92 C ATOM 0 H ILE A 610 0.868 -7.857 -2.315 1.00 2.54 H new ATOM 0 HA ILE A 610 1.702 -8.033 0.538 1.00 2.97 H new ATOM 0 HB ILE A 610 1.037 -9.919 -1.669 1.00 3.40 H new ATOM 0 HG12 ILE A 610 -0.076 -11.171 0.294 1.00 4.30 H new ATOM 0 HG13 ILE A 610 0.310 -9.780 1.288 1.00 4.30 H new ATOM 0 HG21 ILE A 610 2.022 -11.820 -0.352 1.00 4.39 H new ATOM 0 HG22 ILE A 610 3.258 -10.677 -0.931 1.00 4.39 H new ATOM 0 HG23 ILE A 610 2.735 -10.637 0.770 1.00 4.39 H new ATOM 0 HD11 ILE A 610 -2.028 -9.714 0.557 1.00 4.92 H new ATOM 0 HD12 ILE A 610 -1.124 -8.346 -0.137 1.00 4.92 H new ATOM 0 HD13 ILE A 610 -1.516 -9.759 -1.147 1.00 4.92 H new ATOM 1226 N CYS A 611 3.594 -8.030 -2.156 1.00 3.26 N ATOM 1227 CA CYS A 611 4.931 -7.821 -2.715 1.00 3.99 C ATOM 1228 C CYS A 611 4.846 -7.462 -4.217 1.00 2.65 C ATOM 1229 O CYS A 611 3.917 -7.872 -4.901 1.00 2.30 O ATOM 1230 CB CYS A 611 5.730 -9.122 -2.515 1.00 5.75 C ATOM 1231 SG CYS A 611 7.477 -8.880 -2.943 1.00 7.26 S ATOM 0 H CYS A 611 2.886 -8.118 -2.885 1.00 3.26 H new ATOM 0 HA CYS A 611 5.425 -6.991 -2.210 1.00 3.99 H new ATOM 0 HB2 CYS A 611 5.647 -9.449 -1.478 1.00 5.75 H new ATOM 0 HB3 CYS A 611 5.306 -9.913 -3.134 1.00 5.75 H new ATOM 0 HG CYS A 611 8.126 -9.992 -2.763 1.00 7.26 H new ATOM 1237 N LEU A 612 5.864 -6.808 -4.793 1.00 2.64 N ATOM 1238 CA LEU A 612 5.972 -6.632 -6.259 1.00 1.82 C ATOM 1239 C LEU A 612 6.121 -7.971 -7.024 1.00 1.74 C ATOM 1240 O LEU A 612 6.022 -7.999 -8.256 1.00 1.94 O ATOM 1241 CB LEU A 612 7.191 -5.759 -6.588 1.00 2.49 C ATOM 1242 CG LEU A 612 7.183 -4.353 -5.978 1.00 2.11 C ATOM 1243 CD1 LEU A 612 8.486 -3.666 -6.353 1.00 3.24 C ATOM 1244 CD2 LEU A 612 6.052 -3.466 -6.487 1.00 1.09 C ATOM 0 H LEU A 612 6.631 -6.388 -4.268 1.00 2.64 H new ATOM 0 HA LEU A 612 5.043 -6.161 -6.580 1.00 1.82 H new ATOM 0 HB2 LEU A 612 8.088 -6.277 -6.250 1.00 2.49 H new ATOM 0 HB3 LEU A 612 7.266 -5.665 -7.671 1.00 2.49 H new ATOM 0 HG LEU A 612 7.050 -4.481 -4.904 1.00 2.11 H new ATOM 0 HD11 LEU A 612 8.503 -2.662 -5.929 1.00 3.24 H new ATOM 0 HD12 LEU A 612 9.326 -4.240 -5.961 1.00 3.24 H new ATOM 0 HD13 LEU A 612 8.565 -3.603 -7.438 1.00 3.24 H new ATOM 0 HD21 LEU A 612 6.113 -2.488 -6.009 1.00 1.09 H new ATOM 0 HD22 LEU A 612 6.140 -3.349 -7.567 1.00 1.09 H new ATOM 0 HD23 LEU A 612 5.093 -3.926 -6.249 1.00 1.09 H new ATOM 1256 N LEU A 613 6.415 -9.062 -6.304 1.00 1.85 N ATOM 1257 CA LEU A 613 6.603 -10.425 -6.819 1.00 2.08 C ATOM 1258 C LEU A 613 5.499 -11.396 -6.378 1.00 2.00 C ATOM 1259 O LEU A 613 5.575 -12.590 -6.659 1.00 2.43 O ATOM 1260 CB LEU A 613 7.999 -10.955 -6.454 1.00 2.56 C ATOM 1261 CG LEU A 613 9.135 -10.071 -6.988 1.00 3.38 C ATOM 1262 CD1 LEU A 613 9.641 -9.099 -5.921 1.00 3.95 C ATOM 1263 CD2 LEU A 613 10.321 -10.926 -7.419 1.00 4.43 C ATOM 0 H LEU A 613 6.534 -9.015 -5.292 1.00 1.85 H new ATOM 0 HA LEU A 613 6.527 -10.363 -7.905 1.00 2.08 H new ATOM 0 HB2 LEU A 613 8.082 -11.028 -5.370 1.00 2.56 H new ATOM 0 HB3 LEU A 613 8.114 -11.964 -6.851 1.00 2.56 H new ATOM 0 HG LEU A 613 8.726 -9.516 -7.832 1.00 3.38 H new ATOM 0 HD11 LEU A 613 10.444 -8.490 -6.335 1.00 3.95 H new ATOM 0 HD12 LEU A 613 8.824 -8.453 -5.601 1.00 3.95 H new ATOM 0 HD13 LEU A 613 10.016 -9.661 -5.065 1.00 3.95 H new ATOM 0 HD21 LEU A 613 11.116 -10.282 -7.795 1.00 4.43 H new ATOM 0 HD22 LEU A 613 10.688 -11.496 -6.565 1.00 4.43 H new ATOM 0 HD23 LEU A 613 10.008 -11.612 -8.206 1.00 4.43 H new ATOM 1275 N THR A 614 4.469 -10.888 -5.703 1.00 1.79 N ATOM 1276 CA THR A 614 3.124 -11.487 -5.760 1.00 1.79 C ATOM 1277 C THR A 614 2.361 -10.866 -6.926 1.00 1.76 C ATOM 1278 O THR A 614 2.541 -9.686 -7.237 1.00 2.08 O ATOM 1279 CB THR A 614 2.361 -11.390 -4.426 1.00 2.16 C ATOM 1280 OG1 THR A 614 2.483 -10.126 -3.819 1.00 3.55 O ATOM 1281 CG2 THR A 614 2.933 -12.415 -3.448 1.00 2.98 C ATOM 0 H THR A 614 4.534 -10.062 -5.108 1.00 1.79 H new ATOM 0 HA THR A 614 3.225 -12.559 -5.932 1.00 1.79 H new ATOM 0 HB THR A 614 1.310 -11.570 -4.651 1.00 2.16 H new ATOM 0 HG1 THR A 614 1.780 -9.532 -4.156 1.00 3.55 H new ATOM 0 HG21 THR A 614 2.398 -12.352 -2.501 1.00 2.98 H new ATOM 0 HG22 THR A 614 2.820 -13.417 -3.863 1.00 2.98 H new ATOM 0 HG23 THR A 614 3.990 -12.209 -3.282 1.00 2.98 H new ATOM 1289 N ARG A 615 1.567 -11.674 -7.632 1.00 1.78 N ATOM 1290 CA ARG A 615 0.929 -11.318 -8.912 1.00 2.06 C ATOM 1291 C ARG A 615 -0.480 -11.895 -9.033 1.00 1.91 C ATOM 1292 O ARG A 615 -0.919 -12.640 -8.155 1.00 2.20 O ATOM 1293 CB ARG A 615 1.855 -11.694 -10.089 1.00 2.80 C ATOM 1294 CG ARG A 615 2.077 -13.202 -10.297 1.00 2.81 C ATOM 1295 CD ARG A 615 3.037 -13.476 -11.465 1.00 3.52 C ATOM 1296 NE ARG A 615 2.451 -13.167 -12.787 1.00 4.30 N ATOM 1297 CZ ARG A 615 3.111 -13.014 -13.926 1.00 5.21 C ATOM 1298 NH1 ARG A 615 4.402 -13.160 -14.002 1.00 5.58 N ATOM 1299 NH2 ARG A 615 2.490 -12.717 -15.028 1.00 6.38 N ATOM 0 H ARG A 615 1.341 -12.620 -7.325 1.00 1.78 H new ATOM 0 HA ARG A 615 0.791 -10.237 -8.946 1.00 2.06 H new ATOM 0 HB2 ARG A 615 1.438 -11.275 -11.005 1.00 2.80 H new ATOM 0 HB3 ARG A 615 2.824 -11.219 -9.933 1.00 2.80 H new ATOM 0 HG2 ARG A 615 2.479 -13.641 -9.384 1.00 2.81 H new ATOM 0 HG3 ARG A 615 1.121 -13.688 -10.490 1.00 2.81 H new ATOM 0 HD2 ARG A 615 3.942 -12.884 -11.329 1.00 3.52 H new ATOM 0 HD3 ARG A 615 3.335 -14.524 -11.443 1.00 3.52 H new ATOM 0 HE ARG A 615 1.437 -13.061 -12.826 1.00 4.30 H new ATOM 0 HH11 ARG A 615 4.938 -13.400 -13.168 1.00 5.58 H new ATOM 0 HH12 ARG A 615 4.878 -13.035 -14.896 1.00 5.58 H new ATOM 0 HH21 ARG A 615 1.477 -12.598 -15.026 1.00 6.38 H new ATOM 0 HH22 ARG A 615 3.015 -12.603 -15.895 1.00 6.38 H new ATOM 1313 N GLY A 616 -1.195 -11.517 -10.089 1.00 2.19 N ATOM 1314 CA GLY A 616 -2.565 -11.963 -10.339 1.00 2.41 C ATOM 1315 C GLY A 616 -3.623 -11.092 -9.662 1.00 2.32 C ATOM 1316 O GLY A 616 -3.364 -9.941 -9.292 1.00 2.82 O ATOM 0 H GLY A 616 -0.836 -10.885 -10.805 1.00 2.19 H new ATOM 0 HA2 GLY A 616 -2.746 -11.971 -11.414 1.00 2.41 H new ATOM 0 HA3 GLY A 616 -2.674 -12.990 -9.990 1.00 2.41 H new ATOM 1320 N ARG A 617 -4.830 -11.637 -9.511 1.00 1.99 N ATOM 1321 CA ARG A 617 -5.957 -11.026 -8.776 1.00 1.91 C ATOM 1322 C ARG A 617 -5.586 -10.748 -7.303 1.00 2.24 C ATOM 1323 O ARG A 617 -4.993 -11.603 -6.636 1.00 2.58 O ATOM 1324 CB ARG A 617 -7.200 -11.936 -8.884 1.00 1.80 C ATOM 1325 CG ARG A 617 -7.625 -12.294 -10.325 1.00 1.78 C ATOM 1326 CD ARG A 617 -8.100 -11.119 -11.189 1.00 2.04 C ATOM 1327 NE ARG A 617 -9.509 -10.807 -10.937 1.00 2.64 N ATOM 1328 CZ ARG A 617 -10.542 -10.969 -11.737 1.00 3.11 C ATOM 1329 NH1 ARG A 617 -10.431 -11.347 -12.976 1.00 3.44 N ATOM 1330 NH2 ARG A 617 -11.728 -10.744 -11.272 1.00 4.10 N ATOM 0 H ARG A 617 -5.066 -12.547 -9.907 1.00 1.99 H new ATOM 0 HA ARG A 617 -6.189 -10.062 -9.229 1.00 1.91 H new ATOM 0 HB2 ARG A 617 -7.004 -12.860 -8.339 1.00 1.80 H new ATOM 0 HB3 ARG A 617 -8.036 -11.444 -8.387 1.00 1.80 H new ATOM 0 HG2 ARG A 617 -6.782 -12.771 -10.825 1.00 1.78 H new ATOM 0 HG3 ARG A 617 -8.426 -13.032 -10.275 1.00 1.78 H new ATOM 0 HD2 ARG A 617 -7.488 -10.241 -10.981 1.00 2.04 H new ATOM 0 HD3 ARG A 617 -7.962 -11.361 -12.243 1.00 2.04 H new ATOM 0 HE ARG A 617 -9.717 -10.412 -10.020 1.00 2.64 H new ATOM 0 HH11 ARG A 617 -9.510 -11.534 -13.372 1.00 3.44 H new ATOM 0 HH12 ARG A 617 -11.265 -11.457 -13.552 1.00 3.44 H new ATOM 0 HH21 ARG A 617 -11.848 -10.447 -10.304 1.00 4.10 H new ATOM 0 HH22 ARG A 617 -12.543 -10.863 -11.874 1.00 4.10 H new ATOM 1344 N ARG A 618 -5.904 -9.544 -6.809 1.00 2.43 N ATOM 1345 CA ARG A 618 -5.581 -9.024 -5.457 1.00 2.99 C ATOM 1346 C ARG A 618 -6.809 -8.379 -4.799 1.00 3.14 C ATOM 1347 O ARG A 618 -7.584 -7.709 -5.480 1.00 3.26 O ATOM 1348 CB ARG A 618 -4.388 -8.051 -5.543 1.00 3.55 C ATOM 1349 CG ARG A 618 -3.029 -8.776 -5.428 1.00 3.85 C ATOM 1350 CD ARG A 618 -1.894 -8.014 -6.123 1.00 5.33 C ATOM 1351 NE ARG A 618 -2.072 -8.089 -7.580 1.00 7.00 N ATOM 1352 CZ ARG A 618 -1.484 -7.377 -8.515 1.00 8.84 C ATOM 1353 NH1 ARG A 618 -0.589 -6.468 -8.288 1.00 9.51 N ATOM 1354 NH2 ARG A 618 -1.811 -7.612 -9.746 1.00 10.33 N ATOM 0 H ARG A 618 -6.422 -8.863 -7.365 1.00 2.43 H new ATOM 0 HA ARG A 618 -5.291 -9.857 -4.817 1.00 2.99 H new ATOM 0 HB2 ARG A 618 -4.430 -7.511 -6.489 1.00 3.55 H new ATOM 0 HB3 ARG A 618 -4.470 -7.309 -4.749 1.00 3.55 H new ATOM 0 HG2 ARG A 618 -2.781 -8.910 -4.375 1.00 3.85 H new ATOM 0 HG3 ARG A 618 -3.114 -9.771 -5.864 1.00 3.85 H new ATOM 0 HD2 ARG A 618 -1.890 -6.973 -5.800 1.00 5.33 H new ATOM 0 HD3 ARG A 618 -0.931 -8.439 -5.841 1.00 5.33 H new ATOM 0 HE ARG A 618 -2.740 -8.786 -7.909 1.00 7.00 H new ATOM 0 HH11 ARG A 618 -0.298 -6.266 -7.331 1.00 9.51 H new ATOM 0 HH12 ARG A 618 -0.175 -5.954 -9.066 1.00 9.51 H new ATOM 0 HH21 ARG A 618 -2.503 -8.329 -9.962 1.00 10.33 H new ATOM 0 HH22 ARG A 618 -1.376 -7.080 -10.500 1.00 10.33 H new ATOM 1368 N THR A 619 -6.961 -8.571 -3.488 1.00 3.33 N ATOM 1369 CA THR A 619 -8.265 -8.547 -2.792 1.00 2.96 C ATOM 1370 C THR A 619 -8.130 -8.027 -1.352 1.00 2.82 C ATOM 1371 O THR A 619 -7.161 -8.365 -0.669 1.00 3.10 O ATOM 1372 CB THR A 619 -8.858 -9.977 -2.731 1.00 3.13 C ATOM 1373 OG1 THR A 619 -8.634 -10.685 -3.936 1.00 4.01 O ATOM 1374 CG2 THR A 619 -10.364 -9.983 -2.478 1.00 3.32 C ATOM 0 H THR A 619 -6.175 -8.751 -2.863 1.00 3.33 H new ATOM 0 HA THR A 619 -8.918 -7.879 -3.354 1.00 2.96 H new ATOM 0 HB THR A 619 -8.346 -10.458 -1.898 1.00 3.13 H new ATOM 0 HG1 THR A 619 -9.019 -11.583 -3.864 1.00 4.01 H new ATOM 0 HG21 THR A 619 -10.723 -11.012 -2.445 1.00 3.32 H new ATOM 0 HG22 THR A 619 -10.575 -9.495 -1.527 1.00 3.32 H new ATOM 0 HG23 THR A 619 -10.870 -9.447 -3.281 1.00 3.32 H new ATOM 1382 N ALA A 620 -9.097 -7.244 -0.859 1.00 2.45 N ATOM 1383 CA ALA A 620 -9.297 -6.984 0.578 1.00 2.07 C ATOM 1384 C ALA A 620 -10.741 -6.528 0.874 1.00 1.79 C ATOM 1385 O ALA A 620 -11.306 -5.711 0.144 1.00 2.18 O ATOM 1386 CB ALA A 620 -8.292 -5.943 1.099 1.00 2.31 C ATOM 0 H ALA A 620 -9.774 -6.765 -1.453 1.00 2.45 H new ATOM 0 HA ALA A 620 -9.124 -7.924 1.102 1.00 2.07 H new ATOM 0 HB1 ALA A 620 -8.464 -5.772 2.162 1.00 2.31 H new ATOM 0 HB2 ALA A 620 -7.277 -6.311 0.950 1.00 2.31 H new ATOM 0 HB3 ALA A 620 -8.422 -5.008 0.555 1.00 2.31 H new ATOM 1392 N SER A 621 -11.336 -7.025 1.956 1.00 1.35 N ATOM 1393 CA SER A 621 -12.728 -6.761 2.358 1.00 1.23 C ATOM 1394 C SER A 621 -12.784 -5.747 3.502 1.00 1.00 C ATOM 1395 O SER A 621 -12.710 -6.115 4.676 1.00 0.99 O ATOM 1396 CB SER A 621 -13.433 -8.081 2.719 1.00 1.64 C ATOM 1397 OG SER A 621 -12.566 -9.020 3.344 1.00 3.33 O ATOM 0 H SER A 621 -10.851 -7.645 2.604 1.00 1.35 H new ATOM 0 HA SER A 621 -13.262 -6.318 1.517 1.00 1.23 H new ATOM 0 HB2 SER A 621 -14.271 -7.869 3.384 1.00 1.64 H new ATOM 0 HB3 SER A 621 -13.848 -8.524 1.814 1.00 1.64 H new ATOM 0 HG SER A 621 -12.236 -8.649 4.189 1.00 3.33 H new ATOM 1403 N VAL A 622 -12.820 -4.447 3.179 1.00 0.89 N ATOM 1404 CA VAL A 622 -12.697 -3.374 4.188 1.00 0.77 C ATOM 1405 C VAL A 622 -13.361 -2.044 3.784 1.00 0.71 C ATOM 1406 O VAL A 622 -13.392 -1.681 2.604 1.00 0.71 O ATOM 1407 CB VAL A 622 -11.209 -3.232 4.591 1.00 0.79 C ATOM 1408 CG1 VAL A 622 -10.246 -3.155 3.409 1.00 0.86 C ATOM 1409 CG2 VAL A 622 -10.925 -2.067 5.533 1.00 0.73 C ATOM 0 H VAL A 622 -12.934 -4.107 2.224 1.00 0.89 H new ATOM 0 HA VAL A 622 -13.271 -3.668 5.067 1.00 0.77 H new ATOM 0 HB VAL A 622 -11.023 -4.162 5.128 1.00 0.79 H new ATOM 0 HG11 VAL A 622 -9.225 -3.057 3.777 1.00 0.86 H new ATOM 0 HG12 VAL A 622 -10.330 -4.063 2.811 1.00 0.86 H new ATOM 0 HG13 VAL A 622 -10.494 -2.291 2.793 1.00 0.86 H new ATOM 0 HG21 VAL A 622 -9.861 -2.038 5.766 1.00 0.73 H new ATOM 0 HG22 VAL A 622 -11.217 -1.132 5.054 1.00 0.73 H new ATOM 0 HG23 VAL A 622 -11.494 -2.196 6.453 1.00 0.73 H new ATOM 1419 N ARG A 623 -13.873 -1.294 4.774 1.00 0.68 N ATOM 1420 CA ARG A 623 -14.544 0.015 4.626 1.00 0.65 C ATOM 1421 C ARG A 623 -14.047 1.054 5.636 1.00 0.60 C ATOM 1422 O ARG A 623 -13.489 0.708 6.672 1.00 0.59 O ATOM 1423 CB ARG A 623 -16.071 -0.187 4.703 1.00 0.74 C ATOM 1424 CG ARG A 623 -16.609 -0.430 6.123 1.00 0.83 C ATOM 1425 CD ARG A 623 -17.955 -1.164 6.109 1.00 1.04 C ATOM 1426 NE ARG A 623 -18.973 -0.447 5.323 1.00 2.13 N ATOM 1427 CZ ARG A 623 -20.203 -0.855 5.097 1.00 2.96 C ATOM 1428 NH1 ARG A 623 -20.680 -1.972 5.543 1.00 2.94 N ATOM 1429 NH2 ARG A 623 -21.018 -0.126 4.409 1.00 4.20 N ATOM 0 H ARG A 623 -13.830 -1.596 5.747 1.00 0.68 H new ATOM 0 HA ARG A 623 -14.288 0.423 3.648 1.00 0.65 H new ATOM 0 HB2 ARG A 623 -16.563 0.692 4.287 1.00 0.74 H new ATOM 0 HB3 ARG A 623 -16.345 -1.034 4.074 1.00 0.74 H new ATOM 0 HG2 ARG A 623 -15.884 -1.013 6.691 1.00 0.83 H new ATOM 0 HG3 ARG A 623 -16.722 0.525 6.636 1.00 0.83 H new ATOM 0 HD2 ARG A 623 -17.817 -2.163 5.696 1.00 1.04 H new ATOM 0 HD3 ARG A 623 -18.310 -1.288 7.132 1.00 1.04 H new ATOM 0 HE ARG A 623 -18.699 0.448 4.917 1.00 2.13 H new ATOM 0 HH11 ARG A 623 -20.093 -2.590 6.103 1.00 2.94 H new ATOM 0 HH12 ARG A 623 -21.643 -2.235 5.334 1.00 2.94 H new ATOM 0 HH21 ARG A 623 -20.709 0.772 4.037 1.00 4.20 H new ATOM 0 HH22 ARG A 623 -21.970 -0.449 4.238 1.00 4.20 H new ATOM 1443 N ALA A 624 -14.246 2.334 5.353 1.00 0.62 N ATOM 1444 CA ALA A 624 -13.857 3.419 6.252 1.00 0.60 C ATOM 1445 C ALA A 624 -14.885 3.592 7.386 1.00 0.60 C ATOM 1446 O ALA A 624 -16.080 3.707 7.123 1.00 0.73 O ATOM 1447 CB ALA A 624 -13.650 4.687 5.419 1.00 0.77 C ATOM 0 H ALA A 624 -14.684 2.654 4.489 1.00 0.62 H new ATOM 0 HA ALA A 624 -12.916 3.185 6.750 1.00 0.60 H new ATOM 0 HB1 ALA A 624 -13.359 5.509 6.073 1.00 0.77 H new ATOM 0 HB2 ALA A 624 -12.865 4.514 4.682 1.00 0.77 H new ATOM 0 HB3 ALA A 624 -14.578 4.942 4.908 1.00 0.77 H new ATOM 1453 N ASP A 625 -14.447 3.646 8.650 1.00 0.64 N ATOM 1454 CA ASP A 625 -15.360 3.861 9.797 1.00 0.81 C ATOM 1455 C ASP A 625 -15.754 5.336 9.980 1.00 0.86 C ATOM 1456 O ASP A 625 -16.614 5.695 10.787 1.00 0.93 O ATOM 1457 CB ASP A 625 -14.694 3.385 11.097 1.00 1.03 C ATOM 1458 CG ASP A 625 -15.744 2.898 12.105 1.00 1.50 C ATOM 1459 OD1 ASP A 625 -16.610 2.057 11.740 1.00 2.73 O ATOM 1460 OD2 ASP A 625 -15.754 3.393 13.255 1.00 1.98 O ATOM 0 H ASP A 625 -13.466 3.545 8.912 1.00 0.64 H new ATOM 0 HA ASP A 625 -16.261 3.288 9.580 1.00 0.81 H new ATOM 0 HB2 ASP A 625 -13.994 2.579 10.877 1.00 1.03 H new ATOM 0 HB3 ASP A 625 -14.116 4.200 11.533 1.00 1.03 H new ATOM 1465 N THR A 626 -15.024 6.189 9.274 1.00 0.83 N ATOM 1466 CA THR A 626 -14.893 7.638 9.462 1.00 0.80 C ATOM 1467 C THR A 626 -14.332 8.249 8.165 1.00 0.71 C ATOM 1468 O THR A 626 -13.975 7.514 7.245 1.00 0.68 O ATOM 1469 CB THR A 626 -13.999 7.911 10.692 1.00 0.87 C ATOM 1470 OG1 THR A 626 -13.716 9.286 10.859 1.00 0.88 O ATOM 1471 CG2 THR A 626 -12.669 7.156 10.629 1.00 0.97 C ATOM 0 H THR A 626 -14.460 5.864 8.489 1.00 0.83 H new ATOM 0 HA THR A 626 -15.858 8.106 9.659 1.00 0.80 H new ATOM 0 HB THR A 626 -14.579 7.553 11.543 1.00 0.87 H new ATOM 0 HG1 THR A 626 -13.150 9.410 11.649 1.00 0.88 H new ATOM 0 HG21 THR A 626 -12.079 7.383 11.517 1.00 0.97 H new ATOM 0 HG22 THR A 626 -12.861 6.084 10.585 1.00 0.97 H new ATOM 0 HG23 THR A 626 -12.118 7.463 9.740 1.00 0.97 H new ATOM 1479 N TYR A 627 -14.247 9.575 8.052 1.00 0.73 N ATOM 1480 CA TYR A 627 -13.638 10.252 6.910 1.00 0.74 C ATOM 1481 C TYR A 627 -12.117 10.008 6.974 1.00 0.71 C ATOM 1482 O TYR A 627 -11.423 10.587 7.812 1.00 0.84 O ATOM 1483 CB TYR A 627 -14.084 11.723 6.966 1.00 0.88 C ATOM 1484 CG TYR A 627 -13.678 12.705 5.872 1.00 1.28 C ATOM 1485 CD1 TYR A 627 -12.359 12.790 5.384 1.00 1.77 C ATOM 1486 CD2 TYR A 627 -14.637 13.632 5.417 1.00 2.70 C ATOM 1487 CE1 TYR A 627 -12.014 13.768 4.431 1.00 2.13 C ATOM 1488 CE2 TYR A 627 -14.294 14.621 4.473 1.00 3.17 C ATOM 1489 CZ TYR A 627 -12.976 14.691 3.979 1.00 2.40 C ATOM 1490 OH TYR A 627 -12.615 15.637 3.074 1.00 2.96 O ATOM 0 H TYR A 627 -14.604 10.216 8.761 1.00 0.73 H new ATOM 0 HA TYR A 627 -13.954 9.874 5.938 1.00 0.74 H new ATOM 0 HB2 TYR A 627 -15.173 11.726 7.011 1.00 0.88 H new ATOM 0 HB3 TYR A 627 -13.725 12.131 7.911 1.00 0.88 H new ATOM 0 HD1 TYR A 627 -11.608 12.101 5.743 1.00 1.77 H new ATOM 0 HD2 TYR A 627 -15.647 13.584 5.796 1.00 2.70 H new ATOM 0 HE1 TYR A 627 -11.006 13.810 4.045 1.00 2.13 H new ATOM 0 HE2 TYR A 627 -15.039 15.323 4.129 1.00 3.17 H new ATOM 0 HH TYR A 627 -13.390 16.198 2.860 1.00 2.96 H new ATOM 1500 N CYS A 628 -11.606 9.132 6.107 1.00 0.63 N ATOM 1501 CA CYS A 628 -10.241 8.596 6.152 1.00 0.61 C ATOM 1502 C CYS A 628 -9.421 9.022 4.924 1.00 0.61 C ATOM 1503 O CYS A 628 -9.880 8.886 3.787 1.00 0.63 O ATOM 1504 CB CYS A 628 -10.327 7.065 6.287 1.00 0.58 C ATOM 1505 SG CYS A 628 -8.715 6.361 6.717 1.00 2.47 S ATOM 0 H CYS A 628 -12.149 8.762 5.326 1.00 0.63 H new ATOM 0 HA CYS A 628 -9.715 9.005 7.014 1.00 0.61 H new ATOM 0 HB2 CYS A 628 -11.058 6.804 7.053 1.00 0.58 H new ATOM 0 HB3 CYS A 628 -10.679 6.633 5.350 1.00 0.58 H new ATOM 0 HG CYS A 628 -8.820 5.070 6.826 1.00 2.47 H new ATOM 1511 N ARG A 629 -8.197 9.508 5.159 1.00 0.62 N ATOM 1512 CA ARG A 629 -7.187 9.856 4.149 1.00 0.64 C ATOM 1513 C ARG A 629 -6.265 8.656 3.899 1.00 0.65 C ATOM 1514 O ARG A 629 -5.568 8.184 4.806 1.00 0.71 O ATOM 1515 CB ARG A 629 -6.338 11.056 4.626 1.00 0.78 C ATOM 1516 CG ARG A 629 -7.080 12.313 5.110 1.00 1.50 C ATOM 1517 CD ARG A 629 -7.896 12.992 4.007 1.00 1.68 C ATOM 1518 NE ARG A 629 -8.376 14.318 4.436 1.00 2.75 N ATOM 1519 CZ ARG A 629 -8.122 15.503 3.909 1.00 3.06 C ATOM 1520 NH1 ARG A 629 -7.281 15.711 2.938 1.00 2.95 N ATOM 1521 NH2 ARG A 629 -8.743 16.526 4.400 1.00 4.40 N ATOM 0 H ARG A 629 -7.865 9.679 6.108 1.00 0.62 H new ATOM 0 HA ARG A 629 -7.701 10.125 3.226 1.00 0.64 H new ATOM 0 HB2 ARG A 629 -5.698 10.711 5.438 1.00 0.78 H new ATOM 0 HB3 ARG A 629 -5.682 11.349 3.806 1.00 0.78 H new ATOM 0 HG2 ARG A 629 -7.744 12.042 5.930 1.00 1.50 H new ATOM 0 HG3 ARG A 629 -6.356 13.024 5.508 1.00 1.50 H new ATOM 0 HD2 ARG A 629 -7.284 13.097 3.111 1.00 1.68 H new ATOM 0 HD3 ARG A 629 -8.746 12.364 3.741 1.00 1.68 H new ATOM 0 HE ARG A 629 -8.988 14.321 5.252 1.00 2.75 H new ATOM 0 HH11 ARG A 629 -6.766 14.929 2.533 1.00 2.95 H new ATOM 0 HH12 ARG A 629 -7.137 16.656 2.582 1.00 2.95 H new ATOM 0 HH21 ARG A 629 -9.403 16.402 5.168 1.00 4.40 H new ATOM 0 HH22 ARG A 629 -8.573 17.457 4.019 1.00 4.40 H new ATOM 1535 N LEU A 630 -6.249 8.187 2.659 1.00 0.63 N ATOM 1536 CA LEU A 630 -5.364 7.143 2.148 1.00 0.62 C ATOM 1537 C LEU A 630 -4.327 7.720 1.166 1.00 0.70 C ATOM 1538 O LEU A 630 -4.433 8.851 0.678 1.00 0.86 O ATOM 1539 CB LEU A 630 -6.196 6.018 1.489 1.00 0.60 C ATOM 1540 CG LEU A 630 -7.303 5.371 2.350 1.00 0.63 C ATOM 1541 CD1 LEU A 630 -7.912 4.176 1.608 1.00 0.67 C ATOM 1542 CD2 LEU A 630 -6.777 4.849 3.685 1.00 0.76 C ATOM 0 H LEU A 630 -6.884 8.541 1.944 1.00 0.63 H new ATOM 0 HA LEU A 630 -4.812 6.718 2.986 1.00 0.62 H new ATOM 0 HB2 LEU A 630 -6.659 6.422 0.589 1.00 0.60 H new ATOM 0 HB3 LEU A 630 -5.511 5.232 1.170 1.00 0.60 H new ATOM 0 HG LEU A 630 -8.041 6.152 2.536 1.00 0.63 H new ATOM 0 HD11 LEU A 630 -8.692 3.725 2.222 1.00 0.67 H new ATOM 0 HD12 LEU A 630 -8.342 4.514 0.665 1.00 0.67 H new ATOM 0 HD13 LEU A 630 -7.135 3.438 1.408 1.00 0.67 H new ATOM 0 HD21 LEU A 630 -7.596 4.404 4.250 1.00 0.76 H new ATOM 0 HD22 LEU A 630 -6.010 4.096 3.504 1.00 0.76 H new ATOM 0 HD23 LEU A 630 -6.349 5.674 4.255 1.00 0.76 H new ATOM 1554 N TYR A 631 -3.328 6.905 0.848 1.00 0.64 N ATOM 1555 CA TYR A 631 -2.329 7.148 -0.191 1.00 0.68 C ATOM 1556 C TYR A 631 -2.215 5.907 -1.089 1.00 0.76 C ATOM 1557 O TYR A 631 -2.284 4.779 -0.589 1.00 1.08 O ATOM 1558 CB TYR A 631 -0.998 7.534 0.472 1.00 0.88 C ATOM 1559 CG TYR A 631 -0.499 8.919 0.112 1.00 2.32 C ATOM 1560 CD1 TYR A 631 0.079 9.134 -1.149 1.00 3.35 C ATOM 1561 CD2 TYR A 631 -0.613 9.986 1.024 1.00 3.86 C ATOM 1562 CE1 TYR A 631 0.541 10.419 -1.503 1.00 4.97 C ATOM 1563 CE2 TYR A 631 -0.147 11.271 0.676 1.00 5.44 C ATOM 1564 CZ TYR A 631 0.434 11.489 -0.593 1.00 5.80 C ATOM 1565 OH TYR A 631 0.885 12.720 -0.959 1.00 7.52 O ATOM 0 H TYR A 631 -3.184 6.016 1.328 1.00 0.64 H new ATOM 0 HA TYR A 631 -2.624 7.979 -0.832 1.00 0.68 H new ATOM 0 HB2 TYR A 631 -1.114 7.472 1.554 1.00 0.88 H new ATOM 0 HB3 TYR A 631 -0.240 6.803 0.190 1.00 0.88 H new ATOM 0 HD1 TYR A 631 0.170 8.316 -1.848 1.00 3.35 H new ATOM 0 HD2 TYR A 631 -1.059 9.820 1.993 1.00 3.86 H new ATOM 0 HE1 TYR A 631 0.979 10.583 -2.476 1.00 4.97 H new ATOM 0 HE2 TYR A 631 -0.234 12.087 1.378 1.00 5.44 H new ATOM 0 HH TYR A 631 0.741 13.353 -0.225 1.00 7.52 H new ATOM 1575 N SER A 632 -2.057 6.106 -2.403 1.00 0.64 N ATOM 1576 CA SER A 632 -2.211 5.060 -3.423 1.00 0.72 C ATOM 1577 C SER A 632 -0.963 4.947 -4.302 1.00 0.69 C ATOM 1578 O SER A 632 -0.544 5.937 -4.904 1.00 0.80 O ATOM 1579 CB SER A 632 -3.434 5.371 -4.302 1.00 0.99 C ATOM 1580 OG SER A 632 -4.588 5.635 -3.524 1.00 2.22 O ATOM 0 H SER A 632 -1.814 7.016 -2.795 1.00 0.64 H new ATOM 0 HA SER A 632 -2.353 4.108 -2.911 1.00 0.72 H new ATOM 0 HB2 SER A 632 -3.217 6.232 -4.935 1.00 0.99 H new ATOM 0 HB3 SER A 632 -3.628 4.529 -4.966 1.00 0.99 H new ATOM 0 HG SER A 632 -5.247 6.114 -4.069 1.00 2.22 H new ATOM 1586 N LEU A 633 -0.363 3.754 -4.412 1.00 0.71 N ATOM 1587 CA LEU A 633 0.934 3.540 -5.077 1.00 0.76 C ATOM 1588 C LEU A 633 0.872 2.340 -6.040 1.00 0.76 C ATOM 1589 O LEU A 633 0.673 1.194 -5.633 1.00 0.77 O ATOM 1590 CB LEU A 633 2.024 3.407 -3.986 1.00 0.86 C ATOM 1591 CG LEU A 633 3.462 3.807 -4.392 1.00 1.02 C ATOM 1592 CD1 LEU A 633 4.360 3.712 -3.157 1.00 1.24 C ATOM 1593 CD2 LEU A 633 4.058 2.912 -5.478 1.00 1.50 C ATOM 0 H LEU A 633 -0.769 2.897 -4.037 1.00 0.71 H new ATOM 0 HA LEU A 633 1.190 4.393 -5.706 1.00 0.76 H new ATOM 0 HB2 LEU A 633 1.728 4.018 -3.133 1.00 0.86 H new ATOM 0 HB3 LEU A 633 2.041 2.371 -3.646 1.00 0.86 H new ATOM 0 HG LEU A 633 3.409 4.819 -4.793 1.00 1.02 H new ATOM 0 HD11 LEU A 633 5.379 3.991 -3.426 1.00 1.24 H new ATOM 0 HD12 LEU A 633 3.990 4.387 -2.385 1.00 1.24 H new ATOM 0 HD13 LEU A 633 4.352 2.690 -2.779 1.00 1.24 H new ATOM 0 HD21 LEU A 633 5.067 3.249 -5.714 1.00 1.50 H new ATOM 0 HD22 LEU A 633 4.093 1.882 -5.122 1.00 1.50 H new ATOM 0 HD23 LEU A 633 3.439 2.965 -6.374 1.00 1.50 H new ATOM 1605 N SER A 634 1.036 2.611 -7.334 1.00 0.84 N ATOM 1606 CA SER A 634 1.037 1.612 -8.408 1.00 0.86 C ATOM 1607 C SER A 634 2.374 0.873 -8.541 1.00 0.78 C ATOM 1608 O SER A 634 3.454 1.475 -8.562 1.00 0.75 O ATOM 1609 CB SER A 634 0.622 2.270 -9.729 1.00 1.01 C ATOM 1610 OG SER A 634 1.244 3.529 -9.904 1.00 2.16 O ATOM 0 H SER A 634 1.176 3.561 -7.677 1.00 0.84 H new ATOM 0 HA SER A 634 0.306 0.847 -8.145 1.00 0.86 H new ATOM 0 HB2 SER A 634 0.885 1.615 -10.560 1.00 1.01 H new ATOM 0 HB3 SER A 634 -0.461 2.393 -9.750 1.00 1.01 H new ATOM 0 HG SER A 634 1.940 3.457 -10.590 1.00 2.16 H new ATOM 1616 N VAL A 635 2.316 -0.457 -8.679 1.00 0.87 N ATOM 1617 CA VAL A 635 3.519 -1.292 -8.794 1.00 0.95 C ATOM 1618 C VAL A 635 4.284 -1.048 -10.094 1.00 0.95 C ATOM 1619 O VAL A 635 5.493 -1.249 -10.123 1.00 1.08 O ATOM 1620 CB VAL A 635 3.254 -2.796 -8.582 1.00 1.11 C ATOM 1621 CG1 VAL A 635 2.555 -3.085 -7.253 1.00 1.72 C ATOM 1622 CG2 VAL A 635 2.472 -3.480 -9.694 1.00 1.86 C ATOM 0 H VAL A 635 1.442 -0.982 -8.714 1.00 0.87 H new ATOM 0 HA VAL A 635 4.156 -0.971 -7.969 1.00 0.95 H new ATOM 0 HB VAL A 635 4.258 -3.220 -8.583 1.00 1.11 H new ATOM 0 HG11 VAL A 635 2.392 -4.158 -7.153 1.00 1.72 H new ATOM 0 HG12 VAL A 635 3.178 -2.735 -6.430 1.00 1.72 H new ATOM 0 HG13 VAL A 635 1.596 -2.568 -7.227 1.00 1.72 H new ATOM 0 HG21 VAL A 635 2.339 -4.534 -9.450 1.00 1.86 H new ATOM 0 HG22 VAL A 635 1.496 -3.005 -9.798 1.00 1.86 H new ATOM 0 HG23 VAL A 635 3.020 -3.391 -10.632 1.00 1.86 H new ATOM 1632 N ASP A 636 3.634 -0.552 -11.150 1.00 0.91 N ATOM 1633 CA ASP A 636 4.313 -0.155 -12.397 1.00 1.06 C ATOM 1634 C ASP A 636 5.375 0.937 -12.185 1.00 0.98 C ATOM 1635 O ASP A 636 6.408 0.908 -12.859 1.00 1.17 O ATOM 1636 CB ASP A 636 3.298 0.360 -13.428 1.00 1.20 C ATOM 1637 CG ASP A 636 2.758 -0.759 -14.324 1.00 1.64 C ATOM 1638 OD1 ASP A 636 3.459 -1.119 -15.303 1.00 2.72 O ATOM 1639 OD2 ASP A 636 1.624 -1.247 -14.097 1.00 1.90 O ATOM 0 H ASP A 636 2.624 -0.412 -11.170 1.00 0.91 H new ATOM 0 HA ASP A 636 4.812 -1.054 -12.759 1.00 1.06 H new ATOM 0 HB2 ASP A 636 2.468 0.839 -12.909 1.00 1.20 H new ATOM 0 HB3 ASP A 636 3.769 1.123 -14.048 1.00 1.20 H new ATOM 1644 N ASN A 637 5.147 1.886 -11.265 1.00 0.82 N ATOM 1645 CA ASN A 637 6.121 2.924 -10.895 1.00 0.78 C ATOM 1646 C ASN A 637 7.129 2.409 -9.851 1.00 0.74 C ATOM 1647 O ASN A 637 8.304 2.753 -9.913 1.00 0.90 O ATOM 1648 CB ASN A 637 5.382 4.186 -10.422 1.00 0.87 C ATOM 1649 CG ASN A 637 4.554 4.823 -11.523 1.00 1.28 C ATOM 1650 OD1 ASN A 637 3.338 4.910 -11.443 1.00 2.22 O ATOM 1651 ND2 ASN A 637 5.160 5.305 -12.578 1.00 1.19 N ATOM 0 H ASN A 637 4.269 1.955 -10.750 1.00 0.82 H new ATOM 0 HA ASN A 637 6.707 3.187 -11.776 1.00 0.78 H new ATOM 0 HB2 ASN A 637 4.732 3.930 -9.585 1.00 0.87 H new ATOM 0 HB3 ASN A 637 6.107 4.911 -10.052 1.00 0.87 H new ATOM 0 HD21 ASN A 637 4.618 5.747 -13.320 1.00 1.19 H new ATOM 0 HD22 ASN A 637 6.175 5.239 -12.658 1.00 1.19 H new ATOM 1658 N PHE A 638 6.704 1.525 -8.944 1.00 0.71 N ATOM 1659 CA PHE A 638 7.547 0.862 -7.937 1.00 0.76 C ATOM 1660 C PHE A 638 8.616 -0.049 -8.589 1.00 0.81 C ATOM 1661 O PHE A 638 9.813 0.149 -8.391 1.00 0.79 O ATOM 1662 CB PHE A 638 6.627 0.166 -6.927 1.00 0.94 C ATOM 1663 CG PHE A 638 7.205 -0.171 -5.558 1.00 1.17 C ATOM 1664 CD1 PHE A 638 8.592 -0.253 -5.329 1.00 1.74 C ATOM 1665 CD2 PHE A 638 6.320 -0.511 -4.515 1.00 2.36 C ATOM 1666 CE1 PHE A 638 9.083 -0.764 -4.119 1.00 1.84 C ATOM 1667 CE2 PHE A 638 6.811 -1.049 -3.311 1.00 2.54 C ATOM 1668 CZ PHE A 638 8.196 -1.209 -3.131 1.00 1.61 C ATOM 0 H PHE A 638 5.727 1.239 -8.886 1.00 0.71 H new ATOM 0 HA PHE A 638 8.142 1.591 -7.386 1.00 0.76 H new ATOM 0 HB2 PHE A 638 5.754 0.801 -6.775 1.00 0.94 H new ATOM 0 HB3 PHE A 638 6.273 -0.761 -7.379 1.00 0.94 H new ATOM 0 HD1 PHE A 638 9.282 0.080 -6.090 1.00 1.74 H new ATOM 0 HD2 PHE A 638 5.258 -0.358 -4.641 1.00 2.36 H new ATOM 0 HE1 PHE A 638 10.148 -0.815 -3.949 1.00 1.84 H new ATOM 0 HE2 PHE A 638 6.126 -1.338 -2.528 1.00 2.54 H new ATOM 0 HZ PHE A 638 8.575 -1.674 -2.233 1.00 1.61 H new ATOM 1678 N ASN A 639 8.226 -0.980 -9.461 1.00 0.92 N ATOM 1679 CA ASN A 639 9.157 -1.784 -10.277 1.00 1.00 C ATOM 1680 C ASN A 639 10.037 -0.924 -11.224 1.00 0.99 C ATOM 1681 O ASN A 639 11.105 -1.367 -11.652 1.00 1.08 O ATOM 1682 CB ASN A 639 8.357 -2.803 -11.114 1.00 1.05 C ATOM 1683 CG ASN A 639 7.728 -3.932 -10.330 1.00 1.36 C ATOM 1684 OD1 ASN A 639 8.385 -4.863 -9.888 1.00 1.91 O ATOM 1685 ND2 ASN A 639 6.433 -3.899 -10.159 1.00 1.32 N ATOM 0 H ASN A 639 7.245 -1.205 -9.627 1.00 0.92 H new ATOM 0 HA ASN A 639 9.830 -2.290 -9.584 1.00 1.00 H new ATOM 0 HB2 ASN A 639 7.570 -2.271 -11.648 1.00 1.05 H new ATOM 0 HB3 ASN A 639 9.020 -3.230 -11.866 1.00 1.05 H new ATOM 0 HD21 ASN A 639 5.966 -4.652 -9.655 1.00 1.32 H new ATOM 0 HD22 ASN A 639 5.889 -3.120 -10.530 1.00 1.32 H new ATOM 1692 N GLU A 640 9.611 0.303 -11.541 1.00 0.94 N ATOM 1693 CA GLU A 640 10.308 1.274 -12.401 1.00 0.98 C ATOM 1694 C GLU A 640 11.427 2.020 -11.663 1.00 0.92 C ATOM 1695 O GLU A 640 12.511 2.208 -12.221 1.00 1.03 O ATOM 1696 CB GLU A 640 9.241 2.209 -13.000 1.00 1.11 C ATOM 1697 CG GLU A 640 9.600 3.664 -13.307 1.00 1.63 C ATOM 1698 CD GLU A 640 8.387 4.432 -13.855 1.00 2.83 C ATOM 1699 OE1 GLU A 640 7.862 4.072 -14.939 1.00 3.31 O ATOM 1700 OE2 GLU A 640 7.937 5.402 -13.200 1.00 4.44 O ATOM 0 H GLU A 640 8.726 0.667 -11.188 1.00 0.94 H new ATOM 0 HA GLU A 640 10.829 0.757 -13.207 1.00 0.98 H new ATOM 0 HB2 GLU A 640 8.894 1.756 -13.928 1.00 1.11 H new ATOM 0 HB3 GLU A 640 8.394 2.219 -12.314 1.00 1.11 H new ATOM 0 HG2 GLU A 640 9.963 4.151 -12.402 1.00 1.63 H new ATOM 0 HG3 GLU A 640 10.412 3.695 -14.033 1.00 1.63 H new ATOM 1707 N VAL A 641 11.201 2.394 -10.403 1.00 0.82 N ATOM 1708 CA VAL A 641 12.248 2.905 -9.492 1.00 0.79 C ATOM 1709 C VAL A 641 13.198 1.797 -9.008 1.00 0.86 C ATOM 1710 O VAL A 641 14.382 2.045 -8.781 1.00 0.92 O ATOM 1711 CB VAL A 641 11.626 3.734 -8.351 1.00 0.70 C ATOM 1712 CG1 VAL A 641 10.648 2.965 -7.467 1.00 0.72 C ATOM 1713 CG2 VAL A 641 12.679 4.356 -7.432 1.00 0.66 C ATOM 0 H VAL A 641 10.277 2.353 -9.973 1.00 0.82 H new ATOM 0 HA VAL A 641 12.884 3.586 -10.058 1.00 0.79 H new ATOM 0 HB VAL A 641 11.076 4.508 -8.887 1.00 0.70 H new ATOM 0 HG11 VAL A 641 10.260 3.627 -6.692 1.00 0.72 H new ATOM 0 HG12 VAL A 641 9.822 2.595 -8.075 1.00 0.72 H new ATOM 0 HG13 VAL A 641 11.162 2.124 -7.002 1.00 0.72 H new ATOM 0 HG21 VAL A 641 12.185 4.928 -6.647 1.00 0.66 H new ATOM 0 HG22 VAL A 641 13.281 3.567 -6.981 1.00 0.66 H new ATOM 0 HG23 VAL A 641 13.323 5.017 -8.012 1.00 0.66 H new ATOM 1723 N LEU A 642 12.717 0.549 -8.965 1.00 0.90 N ATOM 1724 CA LEU A 642 13.523 -0.670 -8.760 1.00 1.04 C ATOM 1725 C LEU A 642 14.728 -0.802 -9.706 1.00 1.14 C ATOM 1726 O LEU A 642 15.767 -1.341 -9.324 1.00 1.30 O ATOM 1727 CB LEU A 642 12.636 -1.889 -8.828 1.00 1.09 C ATOM 1728 CG LEU A 642 13.048 -2.851 -7.699 1.00 1.21 C ATOM 1729 CD1 LEU A 642 12.683 -2.373 -6.289 1.00 1.95 C ATOM 1730 CD2 LEU A 642 12.197 -4.048 -7.924 1.00 2.97 C ATOM 0 H LEU A 642 11.723 0.348 -9.075 1.00 0.90 H new ATOM 0 HA LEU A 642 13.959 -0.586 -7.765 1.00 1.04 H new ATOM 0 HB2 LEU A 642 11.590 -1.603 -8.720 1.00 1.09 H new ATOM 0 HB3 LEU A 642 12.735 -2.377 -9.798 1.00 1.09 H new ATOM 0 HG LEU A 642 14.129 -2.982 -7.734 1.00 1.21 H new ATOM 0 HD11 LEU A 642 13.011 -3.112 -5.558 1.00 1.95 H new ATOM 0 HD12 LEU A 642 13.175 -1.421 -6.089 1.00 1.95 H new ATOM 0 HD13 LEU A 642 11.603 -2.245 -6.216 1.00 1.95 H new ATOM 0 HD21 LEU A 642 12.417 -4.799 -7.165 1.00 2.97 H new ATOM 0 HD22 LEU A 642 11.146 -3.765 -7.861 1.00 2.97 H new ATOM 0 HD23 LEU A 642 12.403 -4.460 -8.912 1.00 2.97 H new ATOM 1742 N GLU A 643 14.615 -0.298 -10.936 1.00 1.13 N ATOM 1743 CA GLU A 643 15.697 -0.317 -11.923 1.00 1.22 C ATOM 1744 C GLU A 643 16.891 0.582 -11.560 1.00 1.14 C ATOM 1745 O GLU A 643 17.987 0.338 -12.068 1.00 1.23 O ATOM 1746 CB GLU A 643 15.116 0.067 -13.289 1.00 1.36 C ATOM 1747 CG GLU A 643 14.118 -0.974 -13.813 1.00 1.84 C ATOM 1748 CD GLU A 643 14.781 -1.953 -14.789 1.00 2.30 C ATOM 1749 OE1 GLU A 643 15.335 -2.986 -14.338 1.00 3.11 O ATOM 1750 OE2 GLU A 643 14.807 -1.682 -16.017 1.00 2.89 O ATOM 0 H GLU A 643 13.760 0.140 -11.279 1.00 1.13 H new ATOM 0 HA GLU A 643 16.104 -1.328 -11.946 1.00 1.22 H new ATOM 0 HB2 GLU A 643 14.620 1.035 -13.211 1.00 1.36 H new ATOM 0 HB3 GLU A 643 15.928 0.182 -14.007 1.00 1.36 H new ATOM 0 HG2 GLU A 643 13.695 -1.527 -12.974 1.00 1.84 H new ATOM 0 HG3 GLU A 643 13.291 -0.467 -14.311 1.00 1.84 H new ATOM 1757 N GLU A 644 16.746 1.587 -10.684 1.00 1.05 N ATOM 1758 CA GLU A 644 17.837 2.493 -10.316 1.00 1.11 C ATOM 1759 C GLU A 644 18.720 1.955 -9.176 1.00 1.15 C ATOM 1760 O GLU A 644 19.844 2.425 -8.990 1.00 1.27 O ATOM 1761 CB GLU A 644 17.220 3.834 -9.937 1.00 1.04 C ATOM 1762 CG GLU A 644 16.514 4.519 -11.114 1.00 1.10 C ATOM 1763 CD GLU A 644 17.387 5.545 -11.847 1.00 1.36 C ATOM 1764 OE1 GLU A 644 18.217 5.144 -12.702 1.00 2.70 O ATOM 1765 OE2 GLU A 644 17.227 6.763 -11.576 1.00 1.76 O ATOM 0 H GLU A 644 15.866 1.792 -10.211 1.00 1.05 H new ATOM 0 HA GLU A 644 18.504 2.595 -11.172 1.00 1.11 H new ATOM 0 HB2 GLU A 644 16.505 3.684 -9.128 1.00 1.04 H new ATOM 0 HB3 GLU A 644 18.000 4.492 -9.555 1.00 1.04 H new ATOM 0 HG2 GLU A 644 16.190 3.758 -11.824 1.00 1.10 H new ATOM 0 HG3 GLU A 644 15.616 5.016 -10.747 1.00 1.10 H new ATOM 1772 N TYR A 645 18.209 0.983 -8.416 1.00 1.10 N ATOM 1773 CA TYR A 645 18.826 0.403 -7.210 1.00 1.14 C ATOM 1774 C TYR A 645 18.874 -1.134 -7.302 1.00 1.24 C ATOM 1775 O TYR A 645 18.099 -1.816 -6.629 1.00 1.26 O ATOM 1776 CB TYR A 645 18.087 0.898 -5.954 1.00 1.04 C ATOM 1777 CG TYR A 645 18.161 2.400 -5.787 1.00 0.97 C ATOM 1778 CD1 TYR A 645 17.287 3.214 -6.528 1.00 1.88 C ATOM 1779 CD2 TYR A 645 19.135 2.986 -4.957 1.00 2.03 C ATOM 1780 CE1 TYR A 645 17.425 4.609 -6.513 1.00 1.81 C ATOM 1781 CE2 TYR A 645 19.248 4.390 -4.898 1.00 2.19 C ATOM 1782 CZ TYR A 645 18.415 5.206 -5.697 1.00 1.15 C ATOM 1783 OH TYR A 645 18.607 6.550 -5.715 1.00 1.39 O ATOM 0 H TYR A 645 17.309 0.555 -8.632 1.00 1.10 H new ATOM 0 HA TYR A 645 19.860 0.740 -7.136 1.00 1.14 H new ATOM 0 HB2 TYR A 645 17.042 0.594 -6.009 1.00 1.04 H new ATOM 0 HB3 TYR A 645 18.513 0.417 -5.074 1.00 1.04 H new ATOM 0 HD1 TYR A 645 16.502 2.760 -7.114 1.00 1.88 H new ATOM 0 HD2 TYR A 645 19.792 2.363 -4.368 1.00 2.03 H new ATOM 0 HE1 TYR A 645 16.779 5.225 -7.121 1.00 1.81 H new ATOM 0 HE2 TYR A 645 19.974 4.844 -4.240 1.00 2.19 H new ATOM 0 HH TYR A 645 19.326 6.786 -5.092 1.00 1.39 H new ATOM 1793 N PRO A 646 19.757 -1.707 -8.143 1.00 1.35 N ATOM 1794 CA PRO A 646 19.768 -3.134 -8.495 1.00 1.47 C ATOM 1795 C PRO A 646 19.865 -4.136 -7.332 1.00 1.57 C ATOM 1796 O PRO A 646 19.392 -5.264 -7.502 1.00 1.66 O ATOM 1797 CB PRO A 646 20.931 -3.292 -9.484 1.00 1.59 C ATOM 1798 CG PRO A 646 21.789 -2.043 -9.294 1.00 1.57 C ATOM 1799 CD PRO A 646 20.736 -0.999 -8.957 1.00 1.40 C ATOM 0 HA PRO A 646 18.796 -3.393 -8.915 1.00 1.47 H new ATOM 0 HB2 PRO A 646 21.502 -4.197 -9.279 1.00 1.59 H new ATOM 0 HB3 PRO A 646 20.569 -3.369 -10.509 1.00 1.59 H new ATOM 0 HG2 PRO A 646 22.518 -2.164 -8.492 1.00 1.57 H new ATOM 0 HG3 PRO A 646 22.346 -1.787 -10.195 1.00 1.57 H new ATOM 0 HD2 PRO A 646 21.170 -0.160 -8.413 1.00 1.40 H new ATOM 0 HD3 PRO A 646 20.280 -0.592 -9.859 1.00 1.40 H new ATOM 1807 N MET A 647 20.370 -3.755 -6.148 1.00 1.61 N ATOM 1808 CA MET A 647 20.292 -4.612 -4.953 1.00 1.76 C ATOM 1809 C MET A 647 18.836 -4.854 -4.507 1.00 1.70 C ATOM 1810 O MET A 647 18.509 -5.938 -4.026 1.00 1.80 O ATOM 1811 CB MET A 647 21.133 -4.033 -3.796 1.00 1.89 C ATOM 1812 CG MET A 647 20.429 -2.825 -3.179 1.00 1.87 C ATOM 1813 SD MET A 647 21.295 -1.866 -1.923 1.00 1.73 S ATOM 1814 CE MET A 647 19.908 -0.764 -1.550 1.00 1.40 C ATOM 0 H MET A 647 20.836 -2.861 -5.992 1.00 1.61 H new ATOM 0 HA MET A 647 20.711 -5.580 -5.228 1.00 1.76 H new ATOM 0 HB2 MET A 647 21.292 -4.797 -3.035 1.00 1.89 H new ATOM 0 HB3 MET A 647 22.116 -3.740 -4.164 1.00 1.89 H new ATOM 0 HG2 MET A 647 20.166 -2.146 -3.990 1.00 1.87 H new ATOM 0 HG3 MET A 647 19.494 -3.175 -2.741 1.00 1.87 H new ATOM 0 HE1 MET A 647 20.244 0.031 -0.884 1.00 1.40 H new ATOM 0 HE2 MET A 647 19.531 -0.327 -2.475 1.00 1.40 H new ATOM 0 HE3 MET A 647 19.113 -1.331 -1.066 1.00 1.40 H new ATOM 1824 N MET A 648 17.953 -3.856 -4.662 1.00 1.57 N ATOM 1825 CA MET A 648 16.604 -3.849 -4.084 1.00 1.45 C ATOM 1826 C MET A 648 15.675 -4.833 -4.803 1.00 1.62 C ATOM 1827 O MET A 648 14.786 -5.404 -4.180 1.00 1.63 O ATOM 1828 CB MET A 648 16.012 -2.427 -4.089 1.00 1.33 C ATOM 1829 CG MET A 648 16.768 -1.403 -3.233 1.00 1.08 C ATOM 1830 SD MET A 648 16.218 -1.184 -1.512 1.00 1.36 S ATOM 1831 CE MET A 648 16.544 -2.801 -0.756 1.00 1.50 C ATOM 0 H MET A 648 18.162 -3.017 -5.203 1.00 1.57 H new ATOM 0 HA MET A 648 16.689 -4.179 -3.049 1.00 1.45 H new ATOM 0 HB2 MET A 648 15.982 -2.066 -5.117 1.00 1.33 H new ATOM 0 HB3 MET A 648 14.981 -2.479 -3.740 1.00 1.33 H new ATOM 0 HG2 MET A 648 17.820 -1.688 -3.217 1.00 1.08 H new ATOM 0 HG3 MET A 648 16.707 -0.436 -3.732 1.00 1.08 H new ATOM 0 HE1 MET A 648 16.555 -2.700 0.329 1.00 1.50 H new ATOM 0 HE2 MET A 648 15.762 -3.503 -1.047 1.00 1.50 H new ATOM 0 HE3 MET A 648 17.511 -3.173 -1.096 1.00 1.50 H new ATOM 1841 N ARG A 649 15.941 -5.118 -6.086 1.00 1.83 N ATOM 1842 CA ARG A 649 15.295 -6.213 -6.822 1.00 2.07 C ATOM 1843 C ARG A 649 15.560 -7.555 -6.133 1.00 2.19 C ATOM 1844 O ARG A 649 14.616 -8.234 -5.740 1.00 2.30 O ATOM 1845 CB ARG A 649 15.718 -6.137 -8.306 1.00 2.30 C ATOM 1846 CG ARG A 649 15.090 -7.218 -9.207 1.00 2.78 C ATOM 1847 CD ARG A 649 15.958 -8.473 -9.336 1.00 2.68 C ATOM 1848 NE ARG A 649 15.223 -9.580 -9.969 1.00 3.87 N ATOM 1849 CZ ARG A 649 15.479 -10.195 -11.105 1.00 4.14 C ATOM 1850 NH1 ARG A 649 16.344 -9.774 -11.979 1.00 3.79 N ATOM 1851 NH2 ARG A 649 14.824 -11.282 -11.366 1.00 5.59 N ATOM 0 H ARG A 649 16.614 -4.592 -6.644 1.00 1.83 H new ATOM 0 HA ARG A 649 14.210 -6.113 -6.810 1.00 2.07 H new ATOM 0 HB2 ARG A 649 15.450 -5.156 -8.697 1.00 2.30 H new ATOM 0 HB3 ARG A 649 16.803 -6.218 -8.366 1.00 2.30 H new ATOM 0 HG2 ARG A 649 14.116 -7.497 -8.804 1.00 2.78 H new ATOM 0 HG3 ARG A 649 14.917 -6.800 -10.199 1.00 2.78 H new ATOM 0 HD2 ARG A 649 16.846 -8.242 -9.924 1.00 2.68 H new ATOM 0 HD3 ARG A 649 16.301 -8.781 -8.348 1.00 2.68 H new ATOM 0 HE ARG A 649 14.406 -9.916 -9.459 1.00 3.87 H new ATOM 0 HH11 ARG A 649 16.872 -8.919 -11.803 1.00 3.79 H new ATOM 0 HH12 ARG A 649 16.495 -10.298 -12.841 1.00 3.79 H new ATOM 0 HH21 ARG A 649 14.136 -11.635 -10.701 1.00 5.59 H new ATOM 0 HH22 ARG A 649 14.996 -11.785 -12.237 1.00 5.59 H new ATOM 1865 N ARG A 650 16.827 -7.898 -5.886 1.00 2.19 N ATOM 1866 CA ARG A 650 17.234 -9.157 -5.227 1.00 2.29 C ATOM 1867 C ARG A 650 16.752 -9.252 -3.771 1.00 2.18 C ATOM 1868 O ARG A 650 16.233 -10.278 -3.337 1.00 2.39 O ATOM 1869 CB ARG A 650 18.761 -9.265 -5.314 1.00 2.29 C ATOM 1870 CG ARG A 650 19.253 -10.667 -4.943 1.00 3.35 C ATOM 1871 CD ARG A 650 20.772 -10.638 -4.793 1.00 3.02 C ATOM 1872 NE ARG A 650 21.313 -11.998 -4.643 1.00 4.28 N ATOM 1873 CZ ARG A 650 21.349 -12.735 -3.551 1.00 5.36 C ATOM 1874 NH1 ARG A 650 20.940 -12.320 -2.390 1.00 5.63 N ATOM 1875 NH2 ARG A 650 21.813 -13.941 -3.633 1.00 6.66 N ATOM 0 H ARG A 650 17.617 -7.304 -6.140 1.00 2.19 H new ATOM 0 HA ARG A 650 16.762 -9.992 -5.744 1.00 2.29 H new ATOM 0 HB2 ARG A 650 19.086 -9.021 -6.326 1.00 2.29 H new ATOM 0 HB3 ARG A 650 19.216 -8.532 -4.648 1.00 2.29 H new ATOM 0 HG2 ARG A 650 18.789 -10.995 -4.013 1.00 3.35 H new ATOM 0 HG3 ARG A 650 18.964 -11.383 -5.713 1.00 3.35 H new ATOM 0 HD2 ARG A 650 21.218 -10.159 -5.665 1.00 3.02 H new ATOM 0 HD3 ARG A 650 21.044 -10.037 -3.925 1.00 3.02 H new ATOM 0 HE ARG A 650 21.707 -12.420 -5.484 1.00 4.28 H new ATOM 0 HH11 ARG A 650 20.566 -11.377 -2.288 1.00 5.63 H new ATOM 0 HH12 ARG A 650 20.993 -12.938 -1.580 1.00 5.63 H new ATOM 0 HH21 ARG A 650 22.141 -14.302 -4.529 1.00 6.66 H new ATOM 0 HH22 ARG A 650 21.851 -14.530 -2.801 1.00 6.66 H new ATOM 1889 N ALA A 651 16.840 -8.135 -3.055 1.00 1.88 N ATOM 1890 CA ALA A 651 16.333 -7.944 -1.694 1.00 1.79 C ATOM 1891 C ALA A 651 14.835 -8.254 -1.555 1.00 1.91 C ATOM 1892 O ALA A 651 14.389 -8.604 -0.463 1.00 2.06 O ATOM 1893 CB ALA A 651 16.564 -6.484 -1.297 1.00 1.50 C ATOM 0 H ALA A 651 17.288 -7.296 -3.423 1.00 1.88 H new ATOM 0 HA ALA A 651 16.868 -8.639 -1.046 1.00 1.79 H new ATOM 0 HB1 ALA A 651 16.193 -6.319 -0.285 1.00 1.50 H new ATOM 0 HB2 ALA A 651 17.630 -6.261 -1.334 1.00 1.50 H new ATOM 0 HB3 ALA A 651 16.033 -5.830 -1.989 1.00 1.50 H new ATOM 1899 N PHE A 652 14.062 -8.112 -2.638 1.00 1.92 N ATOM 1900 CA PHE A 652 12.655 -8.498 -2.721 1.00 2.09 C ATOM 1901 C PHE A 652 12.459 -9.942 -3.235 1.00 2.47 C ATOM 1902 O PHE A 652 11.590 -10.651 -2.726 1.00 2.76 O ATOM 1903 CB PHE A 652 11.926 -7.492 -3.615 1.00 1.88 C ATOM 1904 CG PHE A 652 11.754 -6.058 -3.139 1.00 1.37 C ATOM 1905 CD1 PHE A 652 12.162 -5.595 -1.869 1.00 2.46 C ATOM 1906 CD2 PHE A 652 11.134 -5.167 -4.029 1.00 1.90 C ATOM 1907 CE1 PHE A 652 11.949 -4.250 -1.508 1.00 2.26 C ATOM 1908 CE2 PHE A 652 10.901 -3.834 -3.660 1.00 2.21 C ATOM 1909 CZ PHE A 652 11.305 -3.372 -2.401 1.00 1.51 C ATOM 0 H PHE A 652 14.414 -7.712 -3.508 1.00 1.92 H new ATOM 0 HA PHE A 652 12.234 -8.483 -1.716 1.00 2.09 H new ATOM 0 HB2 PHE A 652 12.454 -7.459 -4.568 1.00 1.88 H new ATOM 0 HB3 PHE A 652 10.932 -7.892 -3.814 1.00 1.88 H new ATOM 0 HD1 PHE A 652 12.637 -6.272 -1.174 1.00 2.46 H new ATOM 0 HD2 PHE A 652 10.833 -5.511 -5.008 1.00 1.90 H new ATOM 0 HE1 PHE A 652 12.280 -3.892 -0.545 1.00 2.26 H new ATOM 0 HE2 PHE A 652 10.409 -3.162 -4.348 1.00 2.21 H new ATOM 0 HZ PHE A 652 11.123 -2.346 -2.116 1.00 1.51 H new ATOM 1919 N GLU A 653 13.278 -10.421 -4.182 1.00 2.53 N ATOM 1920 CA GLU A 653 13.263 -11.819 -4.672 1.00 2.88 C ATOM 1921 C GLU A 653 13.374 -12.850 -3.534 1.00 3.25 C ATOM 1922 O GLU A 653 12.707 -13.884 -3.577 1.00 3.62 O ATOM 1923 CB GLU A 653 14.445 -12.074 -5.629 1.00 3.10 C ATOM 1924 CG GLU A 653 14.380 -11.358 -6.986 1.00 2.76 C ATOM 1925 CD GLU A 653 13.467 -12.026 -8.022 1.00 3.31 C ATOM 1926 OE1 GLU A 653 13.043 -13.190 -7.825 1.00 4.64 O ATOM 1927 OE2 GLU A 653 13.246 -11.403 -9.089 1.00 3.07 O ATOM 0 H GLU A 653 13.983 -9.844 -4.640 1.00 2.53 H new ATOM 0 HA GLU A 653 12.306 -11.942 -5.179 1.00 2.88 H new ATOM 0 HB2 GLU A 653 15.365 -11.774 -5.126 1.00 3.10 H new ATOM 0 HB3 GLU A 653 14.515 -13.147 -5.810 1.00 3.10 H new ATOM 0 HG2 GLU A 653 14.037 -10.336 -6.826 1.00 2.76 H new ATOM 0 HG3 GLU A 653 15.388 -11.296 -7.397 1.00 2.76 H new ATOM 1934 N THR A 654 14.197 -12.543 -2.526 1.00 3.15 N ATOM 1935 CA THR A 654 14.608 -13.438 -1.422 1.00 3.40 C ATOM 1936 C THR A 654 13.643 -13.469 -0.228 1.00 3.56 C ATOM 1937 O THR A 654 13.714 -14.336 0.645 1.00 4.06 O ATOM 1938 CB THR A 654 16.016 -13.029 -0.983 1.00 3.12 C ATOM 1939 OG1 THR A 654 16.594 -14.040 -0.187 1.00 3.39 O ATOM 1940 CG2 THR A 654 16.026 -11.702 -0.224 1.00 2.70 C ATOM 0 H THR A 654 14.620 -11.618 -2.448 1.00 3.15 H new ATOM 0 HA THR A 654 14.592 -14.459 -1.803 1.00 3.40 H new ATOM 0 HB THR A 654 16.606 -12.893 -1.889 1.00 3.12 H new ATOM 0 HG1 THR A 654 15.886 -14.560 0.247 1.00 3.39 H new ATOM 0 HG21 THR A 654 17.048 -11.456 0.066 1.00 2.70 H new ATOM 0 HG22 THR A 654 15.631 -10.914 -0.864 1.00 2.70 H new ATOM 0 HG23 THR A 654 15.407 -11.789 0.669 1.00 2.70 H new ATOM 1948 N VAL A 655 12.728 -12.501 -0.185 1.00 3.27 N ATOM 1949 CA VAL A 655 11.655 -12.368 0.822 1.00 3.49 C ATOM 1950 C VAL A 655 10.305 -12.820 0.273 1.00 3.82 C ATOM 1951 O VAL A 655 9.535 -13.466 0.980 1.00 4.19 O ATOM 1952 CB VAL A 655 11.601 -10.932 1.377 1.00 3.23 C ATOM 1953 CG1 VAL A 655 11.485 -9.870 0.297 1.00 2.88 C ATOM 1954 CG2 VAL A 655 10.512 -10.720 2.430 1.00 3.57 C ATOM 0 H VAL A 655 12.706 -11.752 -0.877 1.00 3.27 H new ATOM 0 HA VAL A 655 11.891 -13.034 1.652 1.00 3.49 H new ATOM 0 HB VAL A 655 12.567 -10.811 1.868 1.00 3.23 H new ATOM 0 HG11 VAL A 655 11.452 -8.883 0.759 1.00 2.88 H new ATOM 0 HG12 VAL A 655 12.347 -9.931 -0.367 1.00 2.88 H new ATOM 0 HG13 VAL A 655 10.573 -10.033 -0.277 1.00 2.88 H new ATOM 0 HG21 VAL A 655 10.535 -9.686 2.774 1.00 3.57 H new ATOM 0 HG22 VAL A 655 9.537 -10.936 1.993 1.00 3.57 H new ATOM 0 HG23 VAL A 655 10.687 -11.387 3.274 1.00 3.57 H new