USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 981 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 647 MET CE :methyl 180:sc= -0.0204 (180deg=-0.0204) USER MOD Set 1.2: A 648 MET CE :methyl 161:sc= -0.145 (180deg=-0.483) USER MOD Set 2.1: A 593 THR OG1 : rot 180:sc=-0.00964 USER MOD Set 2.2: A 599 MET CE :methyl -162:sc= -0.0924 (180deg=-0.511) USER MOD Set 3.1: A 590 SER OG : rot 100:sc= 2.06 USER MOD Set 3.2: A 600 LYS NZ :NH3+ 150:sc= 1.02 (180deg=0) USER MOD Set 4.1: A 559 LYS NZ :NH3+ -132:sc= 0.862 (180deg=0) USER MOD Set 4.2: A 634 SER OG : rot 143:sc= 2.04 USER MOD Set 4.3: A 637 ASN : amide:sc= 1.05 K(o=3.9,f=1.5) USER MOD Single : A 535 CYS SG : rot -139:sc= 0.457 USER MOD Single : A 537 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 SER OG : rot 180:sc= 0 USER MOD Single : A 542 MET CE :methyl -177:sc= 0 (180deg=-0.00326) USER MOD Single : A 547 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 551 ASN : amide:sc= 0.874 K(o=0.87,f=0) USER MOD Single : A 554 THR OG1 : rot 110:sc= 1.25 USER MOD Single : A 556 MET CE :methyl -172:sc= -0.6 (180deg=-0.815) USER MOD Single : A 558 THR OG1 : rot 180:sc= 0 USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 GLN : amide:sc= -0.172 X(o=-0.17,f=0.15) USER MOD Single : A 570 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 THR OG1 : rot 180:sc= -0.0328 USER MOD Single : A 579 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.2) USER MOD Single : A 580 LYS NZ :NH3+ -149:sc= 1.27 (180deg=0.452) USER MOD Single : A 581 MET CE :methyl 169:sc= -0.0179 (180deg=-0.127) USER MOD Single : A 582 TYR OH : rot 180:sc= -0.0119 USER MOD Single : A 585 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.18) USER MOD Single : A 586 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.0013) USER MOD Single : A 594 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 596 ASN : amide:sc= -0.354 K(o=-0.35,f=-2.5!) USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 605 SER OG : rot 97:sc= 0.0165 USER MOD Single : A 606 TYR OH : rot 177:sc= 1.17 USER MOD Single : A 611 CYS SG : rot 43:sc= 0.00686 USER MOD Single : A 614 THR OG1 : rot 180:sc= -0.064 USER MOD Single : A 619 THR OG1 : rot 180:sc= 0 USER MOD Single : A 621 SER OG : rot 21:sc= 0.852 USER MOD Single : A 626 THR OG1 : rot 180:sc= 0 USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 628 CYS SG : rot 180:sc= -0.761 USER MOD Single : A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 SER OG : rot 163:sc= 1.25 USER MOD Single : A 639 ASN : amide:sc= 0.339 K(o=0.34,f=-2.1!) USER MOD Single : A 645 TYR OH : rot 180:sc= 0 USER MOD Single : A 654 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N CYS A 535 5.178 11.872 1.860 1.00 2.61 N ATOM 16 CA CYS A 535 5.362 10.566 2.506 1.00 1.95 C ATOM 17 C CYS A 535 6.815 10.168 2.847 1.00 1.54 C ATOM 18 O CYS A 535 7.051 8.997 3.154 1.00 1.55 O ATOM 19 CB CYS A 535 4.652 9.498 1.659 1.00 2.97 C ATOM 20 SG CYS A 535 2.859 9.658 1.866 1.00 3.73 S ATOM 0 HA CYS A 535 4.909 10.647 3.494 1.00 1.95 H new ATOM 0 HB2 CYS A 535 4.920 9.614 0.609 1.00 2.97 H new ATOM 0 HB3 CYS A 535 4.977 8.503 1.962 1.00 2.97 H new ATOM 0 HG CYS A 535 2.325 8.476 1.957 1.00 3.73 H new ATOM 26 N ARG A 536 7.783 11.100 2.843 1.00 1.79 N ATOM 27 CA ARG A 536 9.222 10.836 3.067 1.00 2.14 C ATOM 28 C ARG A 536 9.489 9.954 4.291 1.00 2.21 C ATOM 29 O ARG A 536 10.238 8.984 4.186 1.00 2.53 O ATOM 30 CB ARG A 536 9.977 12.182 3.166 1.00 2.75 C ATOM 31 CG ARG A 536 11.472 12.060 3.527 1.00 2.56 C ATOM 32 CD ARG A 536 12.282 11.285 2.481 1.00 2.36 C ATOM 33 NE ARG A 536 13.611 10.914 2.990 1.00 2.83 N ATOM 34 CZ ARG A 536 13.952 9.773 3.559 1.00 3.70 C ATOM 35 NH1 ARG A 536 13.097 8.840 3.859 1.00 4.50 N ATOM 36 NH2 ARG A 536 15.183 9.510 3.868 1.00 4.85 N ATOM 0 H ARG A 536 7.585 12.087 2.680 1.00 1.79 H new ATOM 0 HA ARG A 536 9.594 10.269 2.214 1.00 2.14 H new ATOM 0 HB2 ARG A 536 9.889 12.703 2.212 1.00 2.75 H new ATOM 0 HB3 ARG A 536 9.486 12.804 3.915 1.00 2.75 H new ATOM 0 HG2 ARG A 536 11.895 13.058 3.639 1.00 2.56 H new ATOM 0 HG3 ARG A 536 11.567 11.563 4.493 1.00 2.56 H new ATOM 0 HD2 ARG A 536 11.738 10.385 2.193 1.00 2.36 H new ATOM 0 HD3 ARG A 536 12.393 11.892 1.583 1.00 2.36 H new ATOM 0 HE ARG A 536 14.348 11.613 2.893 1.00 2.83 H new ATOM 0 HH11 ARG A 536 12.106 8.971 3.655 1.00 4.50 H new ATOM 0 HH12 ARG A 536 13.417 7.977 4.298 1.00 4.50 H new ATOM 0 HH21 ARG A 536 15.915 10.193 3.672 1.00 4.85 H new ATOM 0 HH22 ARG A 536 15.420 8.620 4.307 1.00 4.85 H new ATOM 50 N LYS A 537 8.862 10.281 5.426 1.00 2.10 N ATOM 51 CA LYS A 537 8.887 9.493 6.673 1.00 2.14 C ATOM 52 C LYS A 537 7.879 8.342 6.746 1.00 1.99 C ATOM 53 O LYS A 537 8.138 7.331 7.386 1.00 2.08 O ATOM 54 CB LYS A 537 8.824 10.457 7.867 1.00 2.28 C ATOM 55 CG LYS A 537 7.505 11.234 8.029 1.00 3.50 C ATOM 56 CD LYS A 537 6.520 10.558 8.991 1.00 3.48 C ATOM 57 CE LYS A 537 7.008 10.648 10.444 1.00 3.77 C ATOM 58 NZ LYS A 537 5.883 10.581 11.401 1.00 4.43 N ATOM 0 H LYS A 537 8.303 11.130 5.509 1.00 2.10 H new ATOM 0 HA LYS A 537 9.832 8.951 6.700 1.00 2.14 H new ATOM 0 HB2 LYS A 537 9.004 9.888 8.779 1.00 2.28 H new ATOM 0 HB3 LYS A 537 9.638 11.175 7.774 1.00 2.28 H new ATOM 0 HG2 LYS A 537 7.725 12.239 8.391 1.00 3.50 H new ATOM 0 HG3 LYS A 537 7.033 11.343 7.053 1.00 3.50 H new ATOM 0 HD2 LYS A 537 5.541 11.030 8.904 1.00 3.48 H new ATOM 0 HD3 LYS A 537 6.395 9.512 8.711 1.00 3.48 H new ATOM 0 HE2 LYS A 537 7.706 9.835 10.645 1.00 3.77 H new ATOM 0 HE3 LYS A 537 7.554 11.580 10.588 1.00 3.77 H new ATOM 0 HZ1 LYS A 537 6.249 10.645 12.372 1.00 4.43 H new ATOM 0 HZ2 LYS A 537 5.230 11.371 11.225 1.00 4.43 H new ATOM 0 HZ3 LYS A 537 5.377 9.680 11.280 1.00 4.43 H new ATOM 72 N LEU A 538 6.735 8.489 6.082 1.00 1.84 N ATOM 73 CA LEU A 538 5.574 7.597 6.238 1.00 1.80 C ATOM 74 C LEU A 538 5.725 6.290 5.443 1.00 1.64 C ATOM 75 O LEU A 538 5.302 5.232 5.909 1.00 1.73 O ATOM 76 CB LEU A 538 4.299 8.372 5.854 1.00 1.81 C ATOM 77 CG LEU A 538 2.976 7.615 6.098 1.00 1.19 C ATOM 78 CD1 LEU A 538 2.768 7.210 7.558 1.00 1.94 C ATOM 79 CD2 LEU A 538 1.799 8.506 5.698 1.00 2.40 C ATOM 0 H LEU A 538 6.580 9.240 5.409 1.00 1.84 H new ATOM 0 HA LEU A 538 5.503 7.288 7.281 1.00 1.80 H new ATOM 0 HB2 LEU A 538 4.275 9.305 6.418 1.00 1.81 H new ATOM 0 HB3 LEU A 538 4.358 8.639 4.799 1.00 1.81 H new ATOM 0 HG LEU A 538 3.030 6.707 5.497 1.00 1.19 H new ATOM 0 HD11 LEU A 538 1.819 6.682 7.658 1.00 1.94 H new ATOM 0 HD12 LEU A 538 3.581 6.557 7.874 1.00 1.94 H new ATOM 0 HD13 LEU A 538 2.755 8.102 8.185 1.00 1.94 H new ATOM 0 HD21 LEU A 538 0.864 7.973 5.870 1.00 2.40 H new ATOM 0 HD22 LEU A 538 1.812 9.417 6.296 1.00 2.40 H new ATOM 0 HD23 LEU A 538 1.881 8.764 4.642 1.00 2.40 H new ATOM 91 N VAL A 539 6.374 6.357 4.275 1.00 1.46 N ATOM 92 CA VAL A 539 6.762 5.172 3.496 1.00 1.37 C ATOM 93 C VAL A 539 7.933 4.453 4.183 1.00 1.54 C ATOM 94 O VAL A 539 7.821 3.283 4.535 1.00 1.75 O ATOM 95 CB VAL A 539 6.969 5.530 2.001 1.00 1.12 C ATOM 96 CG1 VAL A 539 8.420 5.808 1.600 1.00 1.09 C ATOM 97 CG2 VAL A 539 6.412 4.435 1.090 1.00 1.07 C ATOM 0 H VAL A 539 6.647 7.238 3.840 1.00 1.46 H new ATOM 0 HA VAL A 539 5.952 4.443 3.479 1.00 1.37 H new ATOM 0 HB VAL A 539 6.420 6.463 1.872 1.00 1.12 H new ATOM 0 HG11 VAL A 539 8.464 6.049 0.538 1.00 1.09 H new ATOM 0 HG12 VAL A 539 8.803 6.648 2.179 1.00 1.09 H new ATOM 0 HG13 VAL A 539 9.028 4.925 1.797 1.00 1.09 H new ATOM 0 HG21 VAL A 539 6.571 4.713 0.048 1.00 1.07 H new ATOM 0 HG22 VAL A 539 6.923 3.495 1.297 1.00 1.07 H new ATOM 0 HG23 VAL A 539 5.344 4.316 1.275 1.00 1.07 H new ATOM 107 N ALA A 540 9.017 5.176 4.486 1.00 1.62 N ATOM 108 CA ALA A 540 10.303 4.600 4.885 1.00 1.85 C ATOM 109 C ALA A 540 10.311 3.941 6.280 1.00 2.22 C ATOM 110 O ALA A 540 11.184 3.120 6.564 1.00 2.25 O ATOM 111 CB ALA A 540 11.348 5.716 4.788 1.00 2.07 C ATOM 0 H ALA A 540 9.024 6.196 4.460 1.00 1.62 H new ATOM 0 HA ALA A 540 10.530 3.775 4.210 1.00 1.85 H new ATOM 0 HB1 ALA A 540 12.324 5.327 5.078 1.00 2.07 H new ATOM 0 HB2 ALA A 540 11.394 6.083 3.763 1.00 2.07 H new ATOM 0 HB3 ALA A 540 11.071 6.533 5.454 1.00 2.07 H new ATOM 117 N SER A 541 9.330 4.253 7.133 1.00 2.60 N ATOM 118 CA SER A 541 9.231 3.731 8.499 1.00 3.07 C ATOM 119 C SER A 541 8.655 2.312 8.536 1.00 3.07 C ATOM 120 O SER A 541 8.790 1.599 9.534 1.00 3.41 O ATOM 121 CB SER A 541 8.408 4.701 9.331 1.00 3.48 C ATOM 122 OG SER A 541 8.457 4.399 10.710 1.00 3.65 O ATOM 0 H SER A 541 8.569 4.887 6.889 1.00 2.60 H new ATOM 0 HA SER A 541 10.232 3.651 8.923 1.00 3.07 H new ATOM 0 HB2 SER A 541 8.774 5.715 9.170 1.00 3.48 H new ATOM 0 HB3 SER A 541 7.372 4.678 8.993 1.00 3.48 H new ATOM 0 HG SER A 541 7.916 5.048 11.206 1.00 3.65 H new ATOM 128 N MET A 542 8.036 1.863 7.443 1.00 2.76 N ATOM 129 CA MET A 542 7.511 0.512 7.313 1.00 2.83 C ATOM 130 C MET A 542 8.644 -0.535 7.221 1.00 2.63 C ATOM 131 O MET A 542 9.687 -0.242 6.625 1.00 2.36 O ATOM 132 CB MET A 542 6.592 0.461 6.086 1.00 2.67 C ATOM 133 CG MET A 542 5.367 -0.420 6.324 1.00 2.85 C ATOM 134 SD MET A 542 5.301 -1.926 5.324 1.00 3.27 S ATOM 135 CE MET A 542 4.899 -1.127 3.760 1.00 2.92 C ATOM 0 H MET A 542 7.886 2.439 6.615 1.00 2.76 H new ATOM 0 HA MET A 542 6.938 0.260 8.205 1.00 2.83 H new ATOM 0 HB2 MET A 542 6.269 1.471 5.833 1.00 2.67 H new ATOM 0 HB3 MET A 542 7.151 0.082 5.230 1.00 2.67 H new ATOM 0 HG2 MET A 542 5.339 -0.700 7.377 1.00 2.85 H new ATOM 0 HG3 MET A 542 4.471 0.169 6.126 1.00 2.85 H new ATOM 0 HE1 MET A 542 4.755 -1.885 2.990 1.00 2.92 H new ATOM 0 HE2 MET A 542 3.984 -0.546 3.873 1.00 2.92 H new ATOM 0 HE3 MET A 542 5.715 -0.465 3.469 1.00 2.92 H new ATOM 145 N PRO A 543 8.483 -1.766 7.745 1.00 2.82 N ATOM 146 CA PRO A 543 9.583 -2.729 7.811 1.00 2.82 C ATOM 147 C PRO A 543 9.908 -3.364 6.448 1.00 2.38 C ATOM 148 O PRO A 543 10.993 -3.908 6.263 1.00 2.16 O ATOM 149 CB PRO A 543 9.180 -3.734 8.892 1.00 3.45 C ATOM 150 CG PRO A 543 7.654 -3.698 8.895 1.00 3.55 C ATOM 151 CD PRO A 543 7.284 -2.317 8.358 1.00 3.12 C ATOM 0 HA PRO A 543 10.525 -2.247 8.074 1.00 2.82 H new ATOM 0 HB2 PRO A 543 9.553 -4.733 8.665 1.00 3.45 H new ATOM 0 HB3 PRO A 543 9.586 -3.455 9.865 1.00 3.45 H new ATOM 0 HG2 PRO A 543 7.240 -4.488 8.268 1.00 3.55 H new ATOM 0 HG3 PRO A 543 7.259 -3.849 9.900 1.00 3.55 H new ATOM 0 HD2 PRO A 543 6.477 -2.390 7.629 1.00 3.12 H new ATOM 0 HD3 PRO A 543 6.930 -1.672 9.162 1.00 3.12 H new ATOM 159 N LEU A 544 9.043 -3.203 5.440 1.00 2.32 N ATOM 160 CA LEU A 544 9.362 -3.478 4.030 1.00 2.09 C ATOM 161 C LEU A 544 10.540 -2.623 3.508 1.00 1.75 C ATOM 162 O LEU A 544 11.256 -3.042 2.598 1.00 1.61 O ATOM 163 CB LEU A 544 8.054 -3.289 3.238 1.00 2.37 C ATOM 164 CG LEU A 544 8.118 -3.630 1.736 1.00 1.96 C ATOM 165 CD1 LEU A 544 6.730 -4.092 1.297 1.00 2.15 C ATOM 166 CD2 LEU A 544 8.449 -2.414 0.866 1.00 3.00 C ATOM 0 H LEU A 544 8.088 -2.874 5.580 1.00 2.32 H new ATOM 0 HA LEU A 544 9.722 -4.499 3.904 1.00 2.09 H new ATOM 0 HB2 LEU A 544 7.282 -3.906 3.698 1.00 2.37 H new ATOM 0 HB3 LEU A 544 7.737 -2.251 3.341 1.00 2.37 H new ATOM 0 HG LEU A 544 8.895 -4.384 1.610 1.00 1.96 H new ATOM 0 HD11 LEU A 544 6.748 -4.340 0.236 1.00 2.15 H new ATOM 0 HD12 LEU A 544 6.441 -4.973 1.871 1.00 2.15 H new ATOM 0 HD13 LEU A 544 6.009 -3.293 1.471 1.00 2.15 H new ATOM 0 HD21 LEU A 544 8.481 -2.714 -0.181 1.00 3.00 H new ATOM 0 HD22 LEU A 544 7.683 -1.650 1.002 1.00 3.00 H new ATOM 0 HD23 LEU A 544 9.419 -2.011 1.158 1.00 3.00 H new ATOM 178 N PHE A 545 10.800 -1.469 4.133 1.00 1.74 N ATOM 179 CA PHE A 545 11.904 -0.551 3.814 1.00 1.55 C ATOM 180 C PHE A 545 12.978 -0.488 4.917 1.00 1.62 C ATOM 181 O PHE A 545 13.816 0.414 4.912 1.00 1.60 O ATOM 182 CB PHE A 545 11.348 0.846 3.504 1.00 1.67 C ATOM 183 CG PHE A 545 10.238 0.893 2.474 1.00 1.47 C ATOM 184 CD1 PHE A 545 10.521 0.871 1.095 1.00 2.04 C ATOM 185 CD2 PHE A 545 8.908 0.996 2.908 1.00 2.42 C ATOM 186 CE1 PHE A 545 9.476 1.009 0.162 1.00 1.84 C ATOM 187 CE2 PHE A 545 7.863 1.126 1.981 1.00 2.53 C ATOM 188 CZ PHE A 545 8.149 1.155 0.606 1.00 1.36 C ATOM 0 H PHE A 545 10.225 -1.134 4.906 1.00 1.74 H new ATOM 0 HA PHE A 545 12.406 -0.946 2.931 1.00 1.55 H new ATOM 0 HB2 PHE A 545 10.978 1.285 4.431 1.00 1.67 H new ATOM 0 HB3 PHE A 545 12.168 1.476 3.158 1.00 1.67 H new ATOM 0 HD1 PHE A 545 11.538 0.748 0.754 1.00 2.04 H new ATOM 0 HD2 PHE A 545 8.687 0.975 3.965 1.00 2.42 H new ATOM 0 HE1 PHE A 545 9.693 1.003 -0.896 1.00 1.84 H new ATOM 0 HE2 PHE A 545 6.842 1.204 2.324 1.00 2.53 H new ATOM 0 HZ PHE A 545 7.351 1.289 -0.109 1.00 1.36 H new ATOM 198 N ALA A 546 12.963 -1.425 5.868 1.00 1.76 N ATOM 199 CA ALA A 546 13.910 -1.547 6.987 1.00 1.90 C ATOM 200 C ALA A 546 15.398 -1.377 6.635 1.00 1.78 C ATOM 201 O ALA A 546 16.170 -0.861 7.443 1.00 1.91 O ATOM 202 CB ALA A 546 13.715 -2.951 7.540 1.00 2.02 C ATOM 0 H ALA A 546 12.255 -2.159 5.882 1.00 1.76 H new ATOM 0 HA ALA A 546 13.693 -0.736 7.683 1.00 1.90 H new ATOM 0 HB1 ALA A 546 14.392 -3.109 8.379 1.00 2.02 H new ATOM 0 HB2 ALA A 546 12.685 -3.069 7.878 1.00 2.02 H new ATOM 0 HB3 ALA A 546 13.927 -3.682 6.760 1.00 2.02 H new ATOM 208 N ASN A 547 15.798 -1.863 5.462 1.00 1.63 N ATOM 209 CA ASN A 547 17.162 -1.798 4.927 1.00 1.63 C ATOM 210 C ASN A 547 17.224 -1.199 3.512 1.00 1.29 C ATOM 211 O ASN A 547 18.173 -1.424 2.761 1.00 1.29 O ATOM 212 CB ASN A 547 17.784 -3.186 5.058 1.00 2.03 C ATOM 213 CG ASN A 547 16.981 -4.235 4.321 1.00 2.12 C ATOM 214 OD1 ASN A 547 17.040 -4.377 3.112 1.00 3.21 O ATOM 215 ND2 ASN A 547 16.138 -4.950 5.024 1.00 2.38 N ATOM 0 H ASN A 547 15.153 -2.335 4.828 1.00 1.63 H new ATOM 0 HA ASN A 547 17.761 -1.098 5.510 1.00 1.63 H new ATOM 0 HB2 ASN A 547 18.801 -3.166 4.667 1.00 2.03 H new ATOM 0 HB3 ASN A 547 17.853 -3.455 6.112 1.00 2.03 H new ATOM 0 HD21 ASN A 547 15.531 -5.626 4.560 1.00 2.38 H new ATOM 0 HD22 ASN A 547 16.089 -4.831 6.036 1.00 2.38 H new ATOM 222 N ALA A 548 16.194 -0.437 3.154 1.00 1.16 N ATOM 223 CA ALA A 548 16.158 0.330 1.901 1.00 1.02 C ATOM 224 C ALA A 548 17.279 1.392 1.819 1.00 1.06 C ATOM 225 O ALA A 548 17.757 1.891 2.844 1.00 1.25 O ATOM 226 CB ALA A 548 14.783 0.993 1.735 1.00 1.03 C ATOM 0 H ALA A 548 15.355 -0.330 3.724 1.00 1.16 H new ATOM 0 HA ALA A 548 16.330 -0.373 1.086 1.00 1.02 H new ATOM 0 HB1 ALA A 548 14.762 1.560 0.804 1.00 1.03 H new ATOM 0 HB2 ALA A 548 14.010 0.225 1.709 1.00 1.03 H new ATOM 0 HB3 ALA A 548 14.599 1.665 2.573 1.00 1.03 H new ATOM 232 N ASP A 549 17.653 1.798 0.600 1.00 0.96 N ATOM 233 CA ASP A 549 18.438 3.020 0.371 1.00 0.97 C ATOM 234 C ASP A 549 17.518 4.255 0.531 1.00 0.88 C ATOM 235 O ASP A 549 16.486 4.333 -0.148 1.00 0.79 O ATOM 236 CB ASP A 549 19.119 2.953 -1.014 1.00 0.98 C ATOM 237 CG ASP A 549 20.044 4.139 -1.324 1.00 1.14 C ATOM 238 OD1 ASP A 549 19.587 5.299 -1.240 1.00 1.88 O ATOM 239 OD2 ASP A 549 21.232 3.921 -1.681 1.00 2.02 O ATOM 0 H ASP A 549 17.421 1.291 -0.254 1.00 0.96 H new ATOM 0 HA ASP A 549 19.234 3.109 1.110 1.00 0.97 H new ATOM 0 HB2 ASP A 549 19.697 2.031 -1.077 1.00 0.98 H new ATOM 0 HB3 ASP A 549 18.348 2.899 -1.782 1.00 0.98 H new ATOM 244 N PRO A 550 17.849 5.245 1.384 1.00 0.93 N ATOM 245 CA PRO A 550 16.972 6.387 1.697 1.00 0.92 C ATOM 246 C PRO A 550 16.665 7.301 0.490 1.00 0.86 C ATOM 247 O PRO A 550 15.785 8.169 0.551 1.00 0.90 O ATOM 248 CB PRO A 550 17.715 7.154 2.796 1.00 1.03 C ATOM 249 CG PRO A 550 19.180 6.837 2.507 1.00 1.06 C ATOM 250 CD PRO A 550 19.112 5.373 2.095 1.00 1.04 C ATOM 0 HA PRO A 550 15.988 6.033 2.006 1.00 0.92 H new ATOM 0 HB2 PRO A 550 17.516 8.225 2.746 1.00 1.03 H new ATOM 0 HB3 PRO A 550 17.419 6.821 3.791 1.00 1.03 H new ATOM 0 HG2 PRO A 550 19.585 7.466 1.714 1.00 1.06 H new ATOM 0 HG3 PRO A 550 19.810 6.985 3.384 1.00 1.06 H new ATOM 0 HD2 PRO A 550 19.954 5.102 1.458 1.00 1.04 H new ATOM 0 HD3 PRO A 550 19.145 4.716 2.964 1.00 1.04 H new ATOM 258 N ASN A 551 17.377 7.121 -0.620 1.00 0.82 N ATOM 259 CA ASN A 551 17.202 7.862 -1.869 1.00 0.79 C ATOM 260 C ASN A 551 16.253 7.123 -2.821 1.00 0.70 C ATOM 261 O ASN A 551 15.430 7.767 -3.472 1.00 0.72 O ATOM 262 CB ASN A 551 18.573 8.139 -2.500 1.00 0.88 C ATOM 263 CG ASN A 551 19.543 8.773 -1.521 1.00 1.05 C ATOM 264 OD1 ASN A 551 19.502 9.965 -1.249 1.00 1.50 O ATOM 265 ND2 ASN A 551 20.390 7.981 -0.915 1.00 1.80 N ATOM 0 H ASN A 551 18.122 6.427 -0.677 1.00 0.82 H new ATOM 0 HA ASN A 551 16.733 8.823 -1.657 1.00 0.79 H new ATOM 0 HB2 ASN A 551 18.994 7.205 -2.871 1.00 0.88 H new ATOM 0 HB3 ASN A 551 18.448 8.796 -3.360 1.00 0.88 H new ATOM 0 HD21 ASN A 551 21.023 8.356 -0.209 1.00 1.80 H new ATOM 0 HD22 ASN A 551 20.417 6.988 -1.149 1.00 1.80 H new ATOM 272 N PHE A 552 16.314 5.785 -2.828 1.00 0.64 N ATOM 273 CA PHE A 552 15.375 4.894 -3.529 1.00 0.58 C ATOM 274 C PHE A 552 13.946 5.088 -3.008 1.00 0.55 C ATOM 275 O PHE A 552 13.040 5.390 -3.788 1.00 0.56 O ATOM 276 CB PHE A 552 15.843 3.432 -3.366 1.00 0.61 C ATOM 277 CG PHE A 552 14.774 2.363 -3.513 1.00 0.58 C ATOM 278 CD1 PHE A 552 14.312 1.969 -4.781 1.00 1.79 C ATOM 279 CD2 PHE A 552 14.233 1.759 -2.361 1.00 1.80 C ATOM 280 CE1 PHE A 552 13.287 1.010 -4.891 1.00 1.73 C ATOM 281 CE2 PHE A 552 13.227 0.783 -2.470 1.00 1.92 C ATOM 282 CZ PHE A 552 12.749 0.414 -3.738 1.00 0.74 C ATOM 0 H PHE A 552 17.042 5.274 -2.329 1.00 0.64 H new ATOM 0 HA PHE A 552 15.365 5.142 -4.590 1.00 0.58 H new ATOM 0 HB2 PHE A 552 16.624 3.239 -4.102 1.00 0.61 H new ATOM 0 HB3 PHE A 552 16.299 3.327 -2.382 1.00 0.61 H new ATOM 0 HD1 PHE A 552 14.744 2.402 -5.671 1.00 1.79 H new ATOM 0 HD2 PHE A 552 14.594 2.048 -1.385 1.00 1.80 H new ATOM 0 HE1 PHE A 552 12.913 0.732 -5.865 1.00 1.73 H new ATOM 0 HE2 PHE A 552 12.823 0.319 -1.582 1.00 1.92 H new ATOM 0 HZ PHE A 552 11.969 -0.327 -3.827 1.00 0.74 H new ATOM 292 N VAL A 553 13.756 5.017 -1.683 1.00 0.56 N ATOM 293 CA VAL A 553 12.423 5.162 -1.050 1.00 0.59 C ATOM 294 C VAL A 553 11.774 6.512 -1.365 1.00 0.60 C ATOM 295 O VAL A 553 10.557 6.639 -1.462 1.00 0.62 O ATOM 296 CB VAL A 553 12.461 4.966 0.479 1.00 0.71 C ATOM 297 CG1 VAL A 553 13.181 3.672 0.807 1.00 1.33 C ATOM 298 CG2 VAL A 553 13.202 6.047 1.268 1.00 1.44 C ATOM 0 H VAL A 553 14.512 4.859 -1.017 1.00 0.56 H new ATOM 0 HA VAL A 553 11.818 4.366 -1.485 1.00 0.59 H new ATOM 0 HB VAL A 553 11.411 4.988 0.771 1.00 0.71 H new ATOM 0 HG11 VAL A 553 13.207 3.534 1.888 1.00 1.33 H new ATOM 0 HG12 VAL A 553 12.654 2.836 0.347 1.00 1.33 H new ATOM 0 HG13 VAL A 553 14.200 3.715 0.422 1.00 1.33 H new ATOM 0 HG21 VAL A 553 13.167 5.810 2.331 1.00 1.44 H new ATOM 0 HG22 VAL A 553 14.241 6.090 0.940 1.00 1.44 H new ATOM 0 HG23 VAL A 553 12.727 7.013 1.096 1.00 1.44 H new ATOM 308 N THR A 554 12.619 7.529 -1.520 1.00 0.62 N ATOM 309 CA THR A 554 12.256 8.925 -1.779 1.00 0.67 C ATOM 310 C THR A 554 12.002 9.241 -3.251 1.00 0.66 C ATOM 311 O THR A 554 11.085 10.002 -3.574 1.00 0.72 O ATOM 312 CB THR A 554 13.339 9.843 -1.214 1.00 0.73 C ATOM 313 OG1 THR A 554 13.470 9.610 0.168 1.00 0.78 O ATOM 314 CG2 THR A 554 12.966 11.303 -1.420 1.00 0.81 C ATOM 0 H THR A 554 13.629 7.397 -1.466 1.00 0.62 H new ATOM 0 HA THR A 554 11.305 9.099 -1.276 1.00 0.67 H new ATOM 0 HB THR A 554 14.275 9.633 -1.732 1.00 0.73 H new ATOM 0 HG1 THR A 554 14.325 9.166 0.345 1.00 0.78 H new ATOM 0 HG21 THR A 554 13.750 11.940 -1.011 1.00 0.81 H new ATOM 0 HG22 THR A 554 12.855 11.503 -2.486 1.00 0.81 H new ATOM 0 HG23 THR A 554 12.025 11.513 -0.911 1.00 0.81 H new ATOM 322 N ALA A 555 12.787 8.666 -4.166 1.00 0.62 N ATOM 323 CA ALA A 555 12.621 8.894 -5.602 1.00 0.63 C ATOM 324 C ALA A 555 11.302 8.297 -6.139 1.00 0.62 C ATOM 325 O ALA A 555 10.823 8.682 -7.206 1.00 0.71 O ATOM 326 CB ALA A 555 13.830 8.303 -6.337 1.00 0.68 C ATOM 0 H ALA A 555 13.552 8.032 -3.933 1.00 0.62 H new ATOM 0 HA ALA A 555 12.566 9.968 -5.780 1.00 0.63 H new ATOM 0 HB1 ALA A 555 13.719 8.466 -7.409 1.00 0.68 H new ATOM 0 HB2 ALA A 555 14.741 8.789 -5.988 1.00 0.68 H new ATOM 0 HB3 ALA A 555 13.890 7.233 -6.137 1.00 0.68 H new ATOM 332 N MET A 556 10.718 7.367 -5.376 1.00 0.58 N ATOM 333 CA MET A 556 9.413 6.731 -5.592 1.00 0.60 C ATOM 334 C MET A 556 8.210 7.657 -5.328 1.00 0.59 C ATOM 335 O MET A 556 7.079 7.334 -5.688 1.00 0.69 O ATOM 336 CB MET A 556 9.381 5.537 -4.631 1.00 0.75 C ATOM 337 CG MET A 556 8.302 4.494 -4.932 1.00 0.60 C ATOM 338 SD MET A 556 8.307 3.075 -3.801 1.00 0.73 S ATOM 339 CE MET A 556 10.079 2.729 -3.589 1.00 0.66 C ATOM 0 H MET A 556 11.175 7.015 -4.535 1.00 0.58 H new ATOM 0 HA MET A 556 9.316 6.448 -6.640 1.00 0.60 H new ATOM 0 HB2 MET A 556 10.355 5.047 -4.651 1.00 0.75 H new ATOM 0 HB3 MET A 556 9.233 5.909 -3.617 1.00 0.75 H new ATOM 0 HG2 MET A 556 7.325 4.975 -4.890 1.00 0.60 H new ATOM 0 HG3 MET A 556 8.435 4.133 -5.952 1.00 0.60 H new ATOM 0 HE1 MET A 556 10.204 1.799 -3.035 1.00 0.66 H new ATOM 0 HE2 MET A 556 10.551 2.635 -4.567 1.00 0.66 H new ATOM 0 HE3 MET A 556 10.546 3.545 -3.038 1.00 0.66 H new ATOM 349 N LEU A 557 8.433 8.789 -4.651 1.00 0.64 N ATOM 350 CA LEU A 557 7.378 9.708 -4.218 1.00 0.70 C ATOM 351 C LEU A 557 7.076 10.830 -5.228 1.00 0.74 C ATOM 352 O LEU A 557 6.063 11.516 -5.088 1.00 0.79 O ATOM 353 CB LEU A 557 7.778 10.325 -2.863 1.00 0.77 C ATOM 354 CG LEU A 557 8.253 9.327 -1.791 1.00 0.75 C ATOM 355 CD1 LEU A 557 8.607 10.077 -0.510 1.00 0.85 C ATOM 356 CD2 LEU A 557 7.194 8.280 -1.470 1.00 0.78 C ATOM 0 H LEU A 557 9.368 9.096 -4.385 1.00 0.64 H new ATOM 0 HA LEU A 557 6.463 9.122 -4.133 1.00 0.70 H new ATOM 0 HB2 LEU A 557 8.573 11.051 -3.035 1.00 0.77 H new ATOM 0 HB3 LEU A 557 6.924 10.875 -2.468 1.00 0.77 H new ATOM 0 HG LEU A 557 9.127 8.814 -2.192 1.00 0.75 H new ATOM 0 HD11 LEU A 557 8.943 9.367 0.246 1.00 0.85 H new ATOM 0 HD12 LEU A 557 9.403 10.792 -0.715 1.00 0.85 H new ATOM 0 HD13 LEU A 557 7.728 10.608 -0.145 1.00 0.85 H new ATOM 0 HD21 LEU A 557 7.575 7.599 -0.709 1.00 0.78 H new ATOM 0 HD22 LEU A 557 6.296 8.773 -1.099 1.00 0.78 H new ATOM 0 HD23 LEU A 557 6.953 7.718 -2.372 1.00 0.78 H new ATOM 368 N THR A 558 7.953 11.087 -6.204 1.00 0.76 N ATOM 369 CA THR A 558 7.885 12.284 -7.076 1.00 0.83 C ATOM 370 C THR A 558 6.562 12.440 -7.844 1.00 0.76 C ATOM 371 O THR A 558 6.102 13.575 -8.019 1.00 0.87 O ATOM 372 CB THR A 558 9.060 12.353 -8.067 1.00 0.97 C ATOM 373 OG1 THR A 558 9.076 11.245 -8.936 1.00 1.52 O ATOM 374 CG2 THR A 558 10.416 12.404 -7.362 1.00 1.63 C ATOM 0 H THR A 558 8.738 10.472 -6.420 1.00 0.76 H new ATOM 0 HA THR A 558 7.949 13.117 -6.376 1.00 0.83 H new ATOM 0 HB THR A 558 8.905 13.274 -8.630 1.00 0.97 H new ATOM 0 HG1 THR A 558 9.834 11.323 -9.552 1.00 1.52 H new ATOM 0 HG21 THR A 558 11.211 12.452 -8.106 1.00 1.63 H new ATOM 0 HG22 THR A 558 10.462 13.287 -6.725 1.00 1.63 H new ATOM 0 HG23 THR A 558 10.543 11.509 -6.752 1.00 1.63 H new ATOM 382 N LYS A 559 5.898 11.336 -8.226 1.00 0.72 N ATOM 383 CA LYS A 559 4.560 11.325 -8.860 1.00 0.74 C ATOM 384 C LYS A 559 3.415 10.841 -7.955 1.00 0.80 C ATOM 385 O LYS A 559 2.312 10.622 -8.453 1.00 1.03 O ATOM 386 CB LYS A 559 4.621 10.592 -10.217 1.00 0.88 C ATOM 387 CG LYS A 559 4.853 9.064 -10.180 1.00 1.21 C ATOM 388 CD LYS A 559 3.636 8.210 -10.590 1.00 1.63 C ATOM 389 CE LYS A 559 2.882 7.659 -9.375 1.00 1.68 C ATOM 390 NZ LYS A 559 1.518 7.208 -9.734 1.00 2.81 N ATOM 0 H LYS A 559 6.283 10.400 -8.101 1.00 0.72 H new ATOM 0 HA LYS A 559 4.296 12.366 -9.043 1.00 0.74 H new ATOM 0 HB2 LYS A 559 3.687 10.780 -10.746 1.00 0.88 H new ATOM 0 HB3 LYS A 559 5.418 11.041 -10.809 1.00 0.88 H new ATOM 0 HG2 LYS A 559 5.686 8.822 -10.840 1.00 1.21 H new ATOM 0 HG3 LYS A 559 5.153 8.781 -9.171 1.00 1.21 H new ATOM 0 HD2 LYS A 559 2.958 8.813 -11.194 1.00 1.63 H new ATOM 0 HD3 LYS A 559 3.969 7.382 -11.215 1.00 1.63 H new ATOM 0 HE2 LYS A 559 3.440 6.826 -8.948 1.00 1.68 H new ATOM 0 HE3 LYS A 559 2.820 8.429 -8.606 1.00 1.68 H new ATOM 0 HZ1 LYS A 559 0.834 7.595 -9.053 1.00 2.81 H new ATOM 0 HZ2 LYS A 559 1.282 7.543 -10.690 1.00 2.81 H new ATOM 0 HZ3 LYS A 559 1.479 6.169 -9.712 1.00 2.81 H new ATOM 404 N LEU A 560 3.658 10.655 -6.654 1.00 0.76 N ATOM 405 CA LEU A 560 2.770 9.949 -5.725 1.00 0.81 C ATOM 406 C LEU A 560 1.420 10.654 -5.516 1.00 0.86 C ATOM 407 O LEU A 560 1.336 11.884 -5.585 1.00 1.02 O ATOM 408 CB LEU A 560 3.500 9.742 -4.387 1.00 0.99 C ATOM 409 CG LEU A 560 2.799 8.755 -3.437 1.00 0.76 C ATOM 410 CD1 LEU A 560 2.576 7.431 -4.145 1.00 1.98 C ATOM 411 CD2 LEU A 560 3.672 8.416 -2.237 1.00 1.49 C ATOM 0 H LEU A 560 4.505 11.003 -6.204 1.00 0.76 H new ATOM 0 HA LEU A 560 2.528 8.984 -6.171 1.00 0.81 H new ATOM 0 HB2 LEU A 560 4.509 9.383 -4.587 1.00 0.99 H new ATOM 0 HB3 LEU A 560 3.598 10.705 -3.886 1.00 0.99 H new ATOM 0 HG LEU A 560 1.870 9.233 -3.126 1.00 0.76 H new ATOM 0 HD11 LEU A 560 2.079 6.736 -3.468 1.00 1.98 H new ATOM 0 HD12 LEU A 560 1.952 7.589 -5.025 1.00 1.98 H new ATOM 0 HD13 LEU A 560 3.536 7.016 -4.451 1.00 1.98 H new ATOM 0 HD21 LEU A 560 3.144 7.717 -1.589 1.00 1.49 H new ATOM 0 HD22 LEU A 560 4.601 7.962 -2.580 1.00 1.49 H new ATOM 0 HD23 LEU A 560 3.897 9.327 -1.682 1.00 1.49 H new ATOM 423 N LYS A 561 0.383 9.864 -5.213 1.00 0.86 N ATOM 424 CA LYS A 561 -1.016 10.296 -5.138 1.00 0.91 C ATOM 425 C LYS A 561 -1.708 9.952 -3.817 1.00 0.83 C ATOM 426 O LYS A 561 -1.461 8.897 -3.239 1.00 0.76 O ATOM 427 CB LYS A 561 -1.772 9.660 -6.310 1.00 1.10 C ATOM 428 CG LYS A 561 -2.887 10.556 -6.854 1.00 1.16 C ATOM 429 CD LYS A 561 -2.412 11.456 -8.002 1.00 1.58 C ATOM 430 CE LYS A 561 -1.379 12.512 -7.582 1.00 1.95 C ATOM 431 NZ LYS A 561 -1.124 13.446 -8.698 1.00 2.36 N ATOM 0 H LYS A 561 0.500 8.872 -5.006 1.00 0.86 H new ATOM 0 HA LYS A 561 -1.026 11.385 -5.193 1.00 0.91 H new ATOM 0 HB2 LYS A 561 -1.068 9.437 -7.112 1.00 1.10 H new ATOM 0 HB3 LYS A 561 -2.200 8.711 -5.988 1.00 1.10 H new ATOM 0 HG2 LYS A 561 -3.711 9.933 -7.202 1.00 1.16 H new ATOM 0 HG3 LYS A 561 -3.276 11.177 -6.047 1.00 1.16 H new ATOM 0 HD2 LYS A 561 -1.981 10.832 -8.785 1.00 1.58 H new ATOM 0 HD3 LYS A 561 -3.276 11.960 -8.436 1.00 1.58 H new ATOM 0 HE2 LYS A 561 -1.742 13.062 -6.714 1.00 1.95 H new ATOM 0 HE3 LYS A 561 -0.450 12.025 -7.286 1.00 1.95 H new ATOM 0 HZ1 LYS A 561 -0.424 14.156 -8.403 1.00 2.36 H new ATOM 0 HZ2 LYS A 561 -0.758 12.918 -9.516 1.00 2.36 H new ATOM 0 HZ3 LYS A 561 -2.010 13.922 -8.962 1.00 2.36 H new ATOM 445 N PHE A 562 -2.622 10.815 -3.381 1.00 0.96 N ATOM 446 CA PHE A 562 -3.484 10.597 -2.211 1.00 0.89 C ATOM 447 C PHE A 562 -4.954 10.345 -2.590 1.00 0.83 C ATOM 448 O PHE A 562 -5.418 10.740 -3.668 1.00 0.92 O ATOM 449 CB PHE A 562 -3.267 11.702 -1.155 1.00 1.08 C ATOM 450 CG PHE A 562 -4.324 12.789 -1.046 1.00 0.93 C ATOM 451 CD1 PHE A 562 -4.267 13.933 -1.866 1.00 1.92 C ATOM 452 CD2 PHE A 562 -5.346 12.679 -0.082 1.00 1.75 C ATOM 453 CE1 PHE A 562 -5.206 14.971 -1.709 1.00 2.18 C ATOM 454 CE2 PHE A 562 -6.290 13.711 0.068 1.00 1.73 C ATOM 455 CZ PHE A 562 -6.213 14.865 -0.734 1.00 1.35 C ATOM 0 H PHE A 562 -2.792 11.710 -3.840 1.00 0.96 H new ATOM 0 HA PHE A 562 -3.180 9.665 -1.734 1.00 0.89 H new ATOM 0 HB2 PHE A 562 -3.177 11.222 -0.180 1.00 1.08 H new ATOM 0 HB3 PHE A 562 -2.311 12.183 -1.363 1.00 1.08 H new ATOM 0 HD1 PHE A 562 -3.498 14.015 -2.620 1.00 1.92 H new ATOM 0 HD2 PHE A 562 -5.405 11.800 0.543 1.00 1.75 H new ATOM 0 HE1 PHE A 562 -5.152 15.848 -2.337 1.00 2.18 H new ATOM 0 HE2 PHE A 562 -7.077 13.617 0.802 1.00 1.73 H new ATOM 0 HZ PHE A 562 -6.925 15.666 -0.601 1.00 1.35 H new ATOM 465 N GLU A 563 -5.695 9.683 -1.699 1.00 0.81 N ATOM 466 CA GLU A 563 -7.123 9.358 -1.859 1.00 0.86 C ATOM 467 C GLU A 563 -7.930 9.592 -0.571 1.00 0.70 C ATOM 468 O GLU A 563 -7.386 9.712 0.522 1.00 0.84 O ATOM 469 CB GLU A 563 -7.299 7.907 -2.354 1.00 1.15 C ATOM 470 CG GLU A 563 -6.964 7.788 -3.845 1.00 2.04 C ATOM 471 CD GLU A 563 -7.356 6.429 -4.430 1.00 2.53 C ATOM 472 OE1 GLU A 563 -6.601 5.449 -4.247 1.00 3.89 O ATOM 473 OE2 GLU A 563 -8.397 6.356 -5.132 1.00 2.46 O ATOM 0 H GLU A 563 -5.310 9.346 -0.817 1.00 0.81 H new ATOM 0 HA GLU A 563 -7.520 10.040 -2.611 1.00 0.86 H new ATOM 0 HB2 GLU A 563 -6.654 7.243 -1.779 1.00 1.15 H new ATOM 0 HB3 GLU A 563 -8.325 7.583 -2.182 1.00 1.15 H new ATOM 0 HG2 GLU A 563 -7.478 8.577 -4.393 1.00 2.04 H new ATOM 0 HG3 GLU A 563 -5.895 7.946 -3.987 1.00 2.04 H new ATOM 480 N VAL A 564 -9.254 9.661 -0.695 1.00 0.76 N ATOM 481 CA VAL A 564 -10.220 9.780 0.405 1.00 0.68 C ATOM 482 C VAL A 564 -11.389 8.807 0.248 1.00 0.78 C ATOM 483 O VAL A 564 -11.846 8.530 -0.867 1.00 1.01 O ATOM 484 CB VAL A 564 -10.757 11.217 0.488 1.00 0.81 C ATOM 485 CG1 VAL A 564 -11.662 11.468 1.684 1.00 0.94 C ATOM 486 CG2 VAL A 564 -9.605 12.215 0.566 1.00 0.82 C ATOM 0 H VAL A 564 -9.708 9.634 -1.608 1.00 0.76 H new ATOM 0 HA VAL A 564 -9.693 9.528 1.326 1.00 0.68 H new ATOM 0 HB VAL A 564 -11.346 11.352 -0.419 1.00 0.81 H new ATOM 0 HG11 VAL A 564 -12.001 12.504 1.673 1.00 0.94 H new ATOM 0 HG12 VAL A 564 -12.525 10.804 1.633 1.00 0.94 H new ATOM 0 HG13 VAL A 564 -11.110 11.276 2.604 1.00 0.94 H new ATOM 0 HG21 VAL A 564 -10.004 13.228 0.624 1.00 0.82 H new ATOM 0 HG22 VAL A 564 -9.005 12.010 1.453 1.00 0.82 H new ATOM 0 HG23 VAL A 564 -8.982 12.121 -0.323 1.00 0.82 H new ATOM 496 N PHE A 565 -11.902 8.331 1.380 1.00 0.68 N ATOM 497 CA PHE A 565 -13.159 7.585 1.475 1.00 0.78 C ATOM 498 C PHE A 565 -14.039 8.094 2.630 1.00 0.81 C ATOM 499 O PHE A 565 -13.530 8.531 3.664 1.00 0.76 O ATOM 500 CB PHE A 565 -12.850 6.089 1.599 1.00 0.79 C ATOM 501 CG PHE A 565 -12.183 5.499 0.366 1.00 0.81 C ATOM 502 CD1 PHE A 565 -10.789 5.613 0.179 1.00 2.09 C ATOM 503 CD2 PHE A 565 -12.959 4.808 -0.585 1.00 1.96 C ATOM 504 CE1 PHE A 565 -10.182 5.046 -0.956 1.00 2.14 C ATOM 505 CE2 PHE A 565 -12.345 4.227 -1.709 1.00 1.92 C ATOM 506 CZ PHE A 565 -10.956 4.337 -1.887 1.00 0.88 C ATOM 0 H PHE A 565 -11.444 8.456 2.283 1.00 0.68 H new ATOM 0 HA PHE A 565 -13.738 7.746 0.566 1.00 0.78 H new ATOM 0 HB2 PHE A 565 -12.203 5.931 2.462 1.00 0.79 H new ATOM 0 HB3 PHE A 565 -13.777 5.550 1.793 1.00 0.79 H new ATOM 0 HD1 PHE A 565 -10.188 6.136 0.908 1.00 2.09 H new ATOM 0 HD2 PHE A 565 -14.027 4.724 -0.451 1.00 1.96 H new ATOM 0 HE1 PHE A 565 -9.119 5.156 -1.111 1.00 2.14 H new ATOM 0 HE2 PHE A 565 -12.942 3.696 -2.436 1.00 1.92 H new ATOM 0 HZ PHE A 565 -10.483 3.875 -2.741 1.00 0.88 H new ATOM 516 N GLN A 566 -15.361 8.050 2.444 1.00 0.95 N ATOM 517 CA GLN A 566 -16.370 8.499 3.418 1.00 1.05 C ATOM 518 C GLN A 566 -16.906 7.320 4.283 1.00 1.05 C ATOM 519 O GLN A 566 -16.750 6.160 3.889 1.00 1.03 O ATOM 520 CB GLN A 566 -17.504 9.227 2.664 1.00 1.20 C ATOM 521 CG GLN A 566 -17.109 10.353 1.702 1.00 1.49 C ATOM 522 CD GLN A 566 -16.189 11.347 2.371 1.00 1.28 C ATOM 523 OE1 GLN A 566 -16.496 11.953 3.387 1.00 2.68 O ATOM 524 NE2 GLN A 566 -14.990 11.507 1.885 1.00 1.11 N ATOM 0 H GLN A 566 -15.776 7.690 1.585 1.00 0.95 H new ATOM 0 HA GLN A 566 -15.907 9.194 4.118 1.00 1.05 H new ATOM 0 HB2 GLN A 566 -18.063 8.482 2.098 1.00 1.20 H new ATOM 0 HB3 GLN A 566 -18.187 9.642 3.405 1.00 1.20 H new ATOM 0 HG2 GLN A 566 -16.617 9.930 0.826 1.00 1.49 H new ATOM 0 HG3 GLN A 566 -18.005 10.864 1.349 1.00 1.49 H new ATOM 0 HE21 GLN A 566 -14.713 11.011 1.038 1.00 1.11 H new ATOM 0 HE22 GLN A 566 -14.329 12.128 2.352 1.00 1.11 H new ATOM 533 N PRO A 567 -17.531 7.566 5.459 1.00 1.11 N ATOM 534 CA PRO A 567 -17.897 6.508 6.412 1.00 1.11 C ATOM 535 C PRO A 567 -18.885 5.476 5.842 1.00 1.16 C ATOM 536 O PRO A 567 -20.015 5.827 5.494 1.00 1.27 O ATOM 537 CB PRO A 567 -18.507 7.212 7.635 1.00 1.19 C ATOM 538 CG PRO A 567 -18.120 8.680 7.496 1.00 1.22 C ATOM 539 CD PRO A 567 -17.860 8.873 6.005 1.00 1.20 C ATOM 0 HA PRO A 567 -17.004 5.936 6.664 1.00 1.11 H new ATOM 0 HB2 PRO A 567 -19.590 7.092 7.657 1.00 1.19 H new ATOM 0 HB3 PRO A 567 -18.121 6.791 8.563 1.00 1.19 H new ATOM 0 HG2 PRO A 567 -18.918 9.335 7.847 1.00 1.22 H new ATOM 0 HG3 PRO A 567 -17.234 8.913 8.086 1.00 1.22 H new ATOM 0 HD2 PRO A 567 -18.739 9.288 5.511 1.00 1.20 H new ATOM 0 HD3 PRO A 567 -17.042 9.575 5.844 1.00 1.20 H new ATOM 547 N GLY A 568 -18.493 4.198 5.826 1.00 1.14 N ATOM 548 CA GLY A 568 -19.317 3.052 5.423 1.00 1.23 C ATOM 549 C GLY A 568 -18.861 2.397 4.117 1.00 1.29 C ATOM 550 O GLY A 568 -19.185 1.231 3.869 1.00 1.53 O ATOM 0 H GLY A 568 -17.552 3.921 6.106 1.00 1.14 H new ATOM 0 HA2 GLY A 568 -19.301 2.307 6.218 1.00 1.23 H new ATOM 0 HA3 GLY A 568 -20.351 3.379 5.314 1.00 1.23 H new ATOM 554 N ASP A 569 -18.077 3.110 3.305 1.00 1.17 N ATOM 555 CA ASP A 569 -17.630 2.655 1.997 1.00 1.26 C ATOM 556 C ASP A 569 -16.477 1.655 2.094 1.00 1.15 C ATOM 557 O ASP A 569 -15.518 1.843 2.846 1.00 1.00 O ATOM 558 CB ASP A 569 -17.199 3.842 1.121 1.00 1.37 C ATOM 559 CG ASP A 569 -18.341 4.667 0.525 1.00 1.25 C ATOM 560 OD1 ASP A 569 -19.541 4.338 0.701 1.00 2.92 O ATOM 561 OD2 ASP A 569 -18.021 5.629 -0.219 1.00 1.81 O ATOM 0 H ASP A 569 -17.731 4.038 3.548 1.00 1.17 H new ATOM 0 HA ASP A 569 -18.481 2.151 1.538 1.00 1.26 H new ATOM 0 HB2 ASP A 569 -16.570 4.502 1.718 1.00 1.37 H new ATOM 0 HB3 ASP A 569 -16.582 3.465 0.305 1.00 1.37 H new ATOM 566 N TYR A 570 -16.536 0.623 1.261 1.00 1.28 N ATOM 567 CA TYR A 570 -15.388 -0.241 0.978 1.00 1.24 C ATOM 568 C TYR A 570 -14.291 0.545 0.249 1.00 1.05 C ATOM 569 O TYR A 570 -14.571 1.318 -0.672 1.00 1.01 O ATOM 570 CB TYR A 570 -15.818 -1.506 0.221 1.00 1.56 C ATOM 571 CG TYR A 570 -16.430 -2.538 1.149 1.00 1.91 C ATOM 572 CD1 TYR A 570 -17.795 -2.465 1.488 1.00 1.83 C ATOM 573 CD2 TYR A 570 -15.609 -3.517 1.744 1.00 3.37 C ATOM 574 CE1 TYR A 570 -18.335 -3.352 2.438 1.00 2.06 C ATOM 575 CE2 TYR A 570 -16.146 -4.402 2.700 1.00 3.68 C ATOM 576 CZ TYR A 570 -17.508 -4.317 3.055 1.00 2.59 C ATOM 577 OH TYR A 570 -18.003 -5.145 4.011 1.00 2.95 O ATOM 0 H TYR A 570 -17.383 0.358 0.759 1.00 1.28 H new ATOM 0 HA TYR A 570 -14.963 -0.581 1.923 1.00 1.24 H new ATOM 0 HB2 TYR A 570 -16.539 -1.239 -0.552 1.00 1.56 H new ATOM 0 HB3 TYR A 570 -14.954 -1.938 -0.284 1.00 1.56 H new ATOM 0 HD1 TYR A 570 -18.428 -1.727 1.018 1.00 1.83 H new ATOM 0 HD2 TYR A 570 -14.568 -3.589 1.467 1.00 3.37 H new ATOM 0 HE1 TYR A 570 -19.382 -3.295 2.695 1.00 2.06 H new ATOM 0 HE2 TYR A 570 -15.514 -5.146 3.161 1.00 3.68 H new ATOM 0 HH TYR A 570 -17.294 -5.745 4.324 1.00 2.95 H new ATOM 587 N ILE A 571 -13.038 0.359 0.678 1.00 1.07 N ATOM 588 CA ILE A 571 -11.883 1.108 0.164 1.00 1.01 C ATOM 589 C ILE A 571 -11.064 0.311 -0.867 1.00 1.14 C ATOM 590 O ILE A 571 -10.429 0.892 -1.747 1.00 1.17 O ATOM 591 CB ILE A 571 -10.999 1.577 1.337 1.00 0.90 C ATOM 592 CG1 ILE A 571 -10.469 0.406 2.188 1.00 0.91 C ATOM 593 CG2 ILE A 571 -11.739 2.532 2.285 1.00 0.84 C ATOM 594 CD1 ILE A 571 -9.089 0.698 2.740 1.00 1.04 C ATOM 0 H ILE A 571 -12.794 -0.321 1.398 1.00 1.07 H new ATOM 0 HA ILE A 571 -12.268 1.979 -0.367 1.00 1.01 H new ATOM 0 HB ILE A 571 -10.167 2.094 0.859 1.00 0.90 H new ATOM 0 HG12 ILE A 571 -11.157 0.213 3.011 1.00 0.91 H new ATOM 0 HG13 ILE A 571 -10.435 -0.499 1.582 1.00 0.91 H new ATOM 0 HG21 ILE A 571 -11.072 2.832 3.093 1.00 0.84 H new ATOM 0 HG22 ILE A 571 -12.061 3.415 1.733 1.00 0.84 H new ATOM 0 HG23 ILE A 571 -12.610 2.027 2.702 1.00 0.84 H new ATOM 0 HD11 ILE A 571 -8.748 -0.150 3.334 1.00 1.04 H new ATOM 0 HD12 ILE A 571 -8.396 0.866 1.916 1.00 1.04 H new ATOM 0 HD13 ILE A 571 -9.129 1.588 3.367 1.00 1.04 H new ATOM 606 N ILE A 572 -11.070 -1.020 -0.733 1.00 1.26 N ATOM 607 CA ILE A 572 -10.297 -1.997 -1.495 1.00 1.35 C ATOM 608 C ILE A 572 -11.228 -3.178 -1.799 1.00 1.71 C ATOM 609 O ILE A 572 -11.664 -3.854 -0.860 1.00 2.52 O ATOM 610 CB ILE A 572 -9.071 -2.466 -0.676 1.00 1.71 C ATOM 611 CG1 ILE A 572 -8.102 -1.287 -0.443 1.00 1.85 C ATOM 612 CG2 ILE A 572 -8.352 -3.617 -1.396 1.00 1.99 C ATOM 613 CD1 ILE A 572 -6.927 -1.569 0.499 1.00 1.72 C ATOM 0 H ILE A 572 -11.661 -1.472 -0.036 1.00 1.26 H new ATOM 0 HA ILE A 572 -9.924 -1.559 -2.421 1.00 1.35 H new ATOM 0 HB ILE A 572 -9.417 -2.829 0.292 1.00 1.71 H new ATOM 0 HG12 ILE A 572 -7.703 -0.972 -1.407 1.00 1.85 H new ATOM 0 HG13 ILE A 572 -8.670 -0.447 -0.044 1.00 1.85 H new ATOM 0 HG21 ILE A 572 -7.492 -3.935 -0.806 1.00 1.99 H new ATOM 0 HG22 ILE A 572 -9.038 -4.455 -1.518 1.00 1.99 H new ATOM 0 HG23 ILE A 572 -8.015 -3.279 -2.376 1.00 1.99 H new ATOM 0 HD11 ILE A 572 -6.311 -0.674 0.591 1.00 1.72 H new ATOM 0 HD12 ILE A 572 -7.307 -1.850 1.481 1.00 1.72 H new ATOM 0 HD13 ILE A 572 -6.325 -2.384 0.096 1.00 1.72 H new ATOM 625 N ARG A 573 -11.498 -3.432 -3.086 1.00 1.42 N ATOM 626 CA ARG A 573 -12.200 -4.617 -3.604 1.00 1.90 C ATOM 627 C ARG A 573 -11.788 -4.944 -5.042 1.00 1.30 C ATOM 628 O ARG A 573 -11.523 -4.054 -5.853 1.00 1.49 O ATOM 629 CB ARG A 573 -13.731 -4.418 -3.552 1.00 3.02 C ATOM 630 CG ARG A 573 -14.393 -4.624 -2.177 1.00 4.52 C ATOM 631 CD ARG A 573 -14.218 -6.048 -1.631 1.00 5.75 C ATOM 632 NE ARG A 573 -14.861 -7.028 -2.524 1.00 6.41 N ATOM 633 CZ ARG A 573 -14.310 -8.042 -3.166 1.00 7.34 C ATOM 634 NH1 ARG A 573 -13.070 -8.415 -3.042 1.00 7.85 N ATOM 635 NH2 ARG A 573 -15.008 -8.732 -4.009 1.00 8.29 N ATOM 0 H ARG A 573 -11.222 -2.790 -3.829 1.00 1.42 H new ATOM 0 HA ARG A 573 -11.916 -5.452 -2.963 1.00 1.90 H new ATOM 0 HB2 ARG A 573 -13.958 -3.408 -3.895 1.00 3.02 H new ATOM 0 HB3 ARG A 573 -14.191 -5.106 -4.261 1.00 3.02 H new ATOM 0 HG2 ARG A 573 -13.969 -3.914 -1.466 1.00 4.52 H new ATOM 0 HG3 ARG A 573 -15.457 -4.400 -2.255 1.00 4.52 H new ATOM 0 HD2 ARG A 573 -13.157 -6.278 -1.533 1.00 5.75 H new ATOM 0 HD3 ARG A 573 -14.652 -6.117 -0.634 1.00 5.75 H new ATOM 0 HE ARG A 573 -15.864 -6.907 -2.665 1.00 6.41 H new ATOM 0 HH11 ARG A 573 -12.446 -7.911 -2.411 1.00 7.85 H new ATOM 0 HH12 ARG A 573 -12.721 -9.211 -3.575 1.00 7.85 H new ATOM 0 HH21 ARG A 573 -15.985 -8.493 -4.178 1.00 8.29 H new ATOM 0 HH22 ARG A 573 -14.581 -9.515 -4.504 1.00 8.29 H new ATOM 649 N GLU A 574 -11.707 -6.233 -5.350 1.00 1.67 N ATOM 650 CA GLU A 574 -10.948 -6.764 -6.493 1.00 1.46 C ATOM 651 C GLU A 574 -11.770 -6.942 -7.782 1.00 2.10 C ATOM 652 O GLU A 574 -12.997 -6.791 -7.782 1.00 3.09 O ATOM 653 CB GLU A 574 -10.202 -8.038 -6.047 1.00 2.45 C ATOM 654 CG GLU A 574 -8.963 -7.705 -5.195 1.00 3.04 C ATOM 655 CD GLU A 574 -9.306 -6.876 -3.957 1.00 4.74 C ATOM 656 OE1 GLU A 574 -10.051 -7.403 -3.099 1.00 5.85 O ATOM 657 OE2 GLU A 574 -8.933 -5.679 -3.951 1.00 5.75 O ATOM 0 H GLU A 574 -12.174 -6.959 -4.806 1.00 1.67 H new ATOM 0 HA GLU A 574 -10.216 -6.013 -6.789 1.00 1.46 H new ATOM 0 HB2 GLU A 574 -10.877 -8.673 -5.474 1.00 2.45 H new ATOM 0 HB3 GLU A 574 -9.897 -8.607 -6.925 1.00 2.45 H new ATOM 0 HG2 GLU A 574 -8.480 -8.632 -4.885 1.00 3.04 H new ATOM 0 HG3 GLU A 574 -8.243 -7.159 -5.805 1.00 3.04 H new ATOM 664 N GLY A 575 -11.083 -7.232 -8.894 1.00 2.16 N ATOM 665 CA GLY A 575 -11.678 -7.406 -10.223 1.00 3.33 C ATOM 666 C GLY A 575 -10.706 -7.454 -11.417 1.00 3.26 C ATOM 667 O GLY A 575 -11.164 -7.665 -12.538 1.00 4.24 O ATOM 0 H GLY A 575 -10.070 -7.355 -8.893 1.00 2.16 H new ATOM 0 HA2 GLY A 575 -12.256 -8.330 -10.218 1.00 3.33 H new ATOM 0 HA3 GLY A 575 -12.382 -6.590 -10.390 1.00 3.33 H new ATOM 671 N THR A 576 -9.389 -7.265 -11.247 1.00 2.29 N ATOM 672 CA THR A 576 -8.414 -7.277 -12.366 1.00 2.39 C ATOM 673 C THR A 576 -7.024 -7.789 -11.964 1.00 1.95 C ATOM 674 O THR A 576 -6.686 -7.899 -10.786 1.00 1.83 O ATOM 675 CB THR A 576 -8.330 -5.898 -13.049 1.00 2.68 C ATOM 676 OG1 THR A 576 -7.599 -5.967 -14.255 1.00 2.96 O ATOM 677 CG2 THR A 576 -7.699 -4.813 -12.180 1.00 2.81 C ATOM 0 H THR A 576 -8.963 -7.099 -10.335 1.00 2.29 H new ATOM 0 HA THR A 576 -8.797 -7.996 -13.090 1.00 2.39 H new ATOM 0 HB THR A 576 -9.368 -5.622 -13.236 1.00 2.68 H new ATOM 0 HG1 THR A 576 -7.563 -5.079 -14.667 1.00 2.96 H new ATOM 0 HG21 THR A 576 -7.676 -3.873 -12.731 1.00 2.81 H new ATOM 0 HG22 THR A 576 -8.288 -4.687 -11.271 1.00 2.81 H new ATOM 0 HG23 THR A 576 -6.682 -5.104 -11.916 1.00 2.81 H new ATOM 685 N ILE A 577 -6.209 -8.146 -12.956 1.00 2.05 N ATOM 686 CA ILE A 577 -4.846 -8.648 -12.756 1.00 1.88 C ATOM 687 C ILE A 577 -3.883 -7.459 -12.584 1.00 1.55 C ATOM 688 O ILE A 577 -3.771 -6.616 -13.482 1.00 1.67 O ATOM 689 CB ILE A 577 -4.413 -9.579 -13.917 1.00 2.20 C ATOM 690 CG1 ILE A 577 -5.138 -10.946 -13.914 1.00 2.67 C ATOM 691 CG2 ILE A 577 -2.903 -9.881 -13.844 1.00 2.15 C ATOM 692 CD1 ILE A 577 -6.633 -10.947 -14.245 1.00 3.07 C ATOM 0 H ILE A 577 -6.480 -8.094 -13.938 1.00 2.05 H new ATOM 0 HA ILE A 577 -4.817 -9.251 -11.848 1.00 1.88 H new ATOM 0 HB ILE A 577 -4.676 -9.035 -14.824 1.00 2.20 H new ATOM 0 HG12 ILE A 577 -4.634 -11.597 -14.628 1.00 2.67 H new ATOM 0 HG13 ILE A 577 -5.010 -11.394 -12.929 1.00 2.67 H new ATOM 0 HG21 ILE A 577 -2.623 -10.536 -14.669 1.00 2.15 H new ATOM 0 HG22 ILE A 577 -2.342 -8.949 -13.914 1.00 2.15 H new ATOM 0 HG23 ILE A 577 -2.675 -10.372 -12.898 1.00 2.15 H new ATOM 0 HD11 ILE A 577 -7.013 -11.968 -14.207 1.00 3.07 H new ATOM 0 HD12 ILE A 577 -7.167 -10.334 -13.519 1.00 3.07 H new ATOM 0 HD13 ILE A 577 -6.785 -10.540 -15.245 1.00 3.07 H new ATOM 704 N GLY A 578 -3.156 -7.415 -11.466 1.00 1.53 N ATOM 705 CA GLY A 578 -2.154 -6.397 -11.170 1.00 1.60 C ATOM 706 C GLY A 578 -2.812 -5.191 -10.510 1.00 1.50 C ATOM 707 O GLY A 578 -3.598 -4.478 -11.143 1.00 2.27 O ATOM 0 H GLY A 578 -3.253 -8.107 -10.723 1.00 1.53 H new ATOM 0 HA2 GLY A 578 -1.389 -6.809 -10.512 1.00 1.60 H new ATOM 0 HA3 GLY A 578 -1.653 -6.091 -12.088 1.00 1.60 H new ATOM 711 N LYS A 579 -2.519 -4.998 -9.219 1.00 1.38 N ATOM 712 CA LYS A 579 -3.126 -3.965 -8.375 1.00 1.35 C ATOM 713 C LYS A 579 -2.061 -3.157 -7.619 1.00 1.23 C ATOM 714 O LYS A 579 -0.942 -3.628 -7.419 1.00 1.37 O ATOM 715 CB LYS A 579 -4.192 -4.602 -7.456 1.00 1.65 C ATOM 716 CG LYS A 579 -5.077 -3.550 -6.760 1.00 2.53 C ATOM 717 CD LYS A 579 -6.392 -4.140 -6.231 1.00 2.65 C ATOM 718 CE LYS A 579 -7.311 -3.005 -5.758 1.00 3.85 C ATOM 719 NZ LYS A 579 -8.696 -3.474 -5.542 1.00 4.34 N ATOM 0 H LYS A 579 -1.837 -5.570 -8.721 1.00 1.38 H new ATOM 0 HA LYS A 579 -3.640 -3.238 -9.004 1.00 1.35 H new ATOM 0 HB2 LYS A 579 -4.822 -5.270 -8.044 1.00 1.65 H new ATOM 0 HB3 LYS A 579 -3.698 -5.213 -6.701 1.00 1.65 H new ATOM 0 HG2 LYS A 579 -4.524 -3.106 -5.933 1.00 2.53 H new ATOM 0 HG3 LYS A 579 -5.300 -2.747 -7.462 1.00 2.53 H new ATOM 0 HD2 LYS A 579 -6.884 -4.718 -7.013 1.00 2.65 H new ATOM 0 HD3 LYS A 579 -6.190 -4.825 -5.408 1.00 2.65 H new ATOM 0 HE2 LYS A 579 -6.921 -2.584 -4.831 1.00 3.85 H new ATOM 0 HE3 LYS A 579 -7.310 -2.204 -6.497 1.00 3.85 H new ATOM 0 HZ1 LYS A 579 -9.297 -2.669 -5.272 1.00 4.34 H new ATOM 0 HZ2 LYS A 579 -9.059 -3.899 -6.419 1.00 4.34 H new ATOM 0 HZ3 LYS A 579 -8.708 -4.184 -4.782 1.00 4.34 H new ATOM 733 N LYS A 580 -2.417 -1.947 -7.188 1.00 1.16 N ATOM 734 CA LYS A 580 -1.542 -0.999 -6.481 1.00 1.12 C ATOM 735 C LYS A 580 -1.480 -1.236 -4.964 1.00 1.14 C ATOM 736 O LYS A 580 -2.226 -2.046 -4.409 1.00 1.33 O ATOM 737 CB LYS A 580 -2.005 0.427 -6.823 1.00 1.22 C ATOM 738 CG LYS A 580 -3.373 0.784 -6.220 1.00 2.35 C ATOM 739 CD LYS A 580 -3.739 2.223 -6.583 1.00 3.01 C ATOM 740 CE LYS A 580 -5.011 2.627 -5.834 1.00 4.23 C ATOM 741 NZ LYS A 580 -5.482 3.968 -6.235 1.00 4.93 N ATOM 0 H LYS A 580 -3.359 -1.582 -7.325 1.00 1.16 H new ATOM 0 HA LYS A 580 -0.518 -1.153 -6.821 1.00 1.12 H new ATOM 0 HB2 LYS A 580 -1.261 1.139 -6.465 1.00 1.22 H new ATOM 0 HB3 LYS A 580 -2.054 0.535 -7.906 1.00 1.22 H new ATOM 0 HG2 LYS A 580 -4.135 0.100 -6.593 1.00 2.35 H new ATOM 0 HG3 LYS A 580 -3.344 0.669 -5.137 1.00 2.35 H new ATOM 0 HD2 LYS A 580 -2.921 2.895 -6.323 1.00 3.01 H new ATOM 0 HD3 LYS A 580 -3.893 2.311 -7.658 1.00 3.01 H new ATOM 0 HE2 LYS A 580 -5.794 1.894 -6.027 1.00 4.23 H new ATOM 0 HE3 LYS A 580 -4.820 2.615 -4.761 1.00 4.23 H new ATOM 0 HZ1 LYS A 580 -5.957 4.424 -5.430 1.00 4.93 H new ATOM 0 HZ2 LYS A 580 -4.670 4.547 -6.531 1.00 4.93 H new ATOM 0 HZ3 LYS A 580 -6.151 3.879 -7.026 1.00 4.93 H new ATOM 755 N MET A 581 -0.586 -0.502 -4.299 1.00 1.08 N ATOM 756 CA MET A 581 -0.417 -0.498 -2.839 1.00 1.17 C ATOM 757 C MET A 581 -1.097 0.731 -2.193 1.00 1.17 C ATOM 758 O MET A 581 -1.160 1.802 -2.798 1.00 1.04 O ATOM 759 CB MET A 581 1.086 -0.633 -2.539 1.00 1.24 C ATOM 760 CG MET A 581 1.422 -0.756 -1.049 1.00 1.59 C ATOM 761 SD MET A 581 1.632 0.837 -0.214 1.00 2.39 S ATOM 762 CE MET A 581 1.726 0.285 1.506 1.00 1.81 C ATOM 0 H MET A 581 0.062 0.127 -4.774 1.00 1.08 H new ATOM 0 HA MET A 581 -0.925 -1.346 -2.381 1.00 1.17 H new ATOM 0 HB2 MET A 581 1.472 -1.509 -3.060 1.00 1.24 H new ATOM 0 HB3 MET A 581 1.605 0.234 -2.946 1.00 1.24 H new ATOM 0 HG2 MET A 581 0.629 -1.314 -0.552 1.00 1.59 H new ATOM 0 HG3 MET A 581 2.338 -1.337 -0.939 1.00 1.59 H new ATOM 0 HE1 MET A 581 2.049 1.113 2.137 1.00 1.81 H new ATOM 0 HE2 MET A 581 0.744 -0.058 1.832 1.00 1.81 H new ATOM 0 HE3 MET A 581 2.442 -0.533 1.587 1.00 1.81 H new ATOM 772 N TYR A 582 -1.619 0.575 -0.967 1.00 1.29 N ATOM 773 CA TYR A 582 -2.406 1.588 -0.246 1.00 1.17 C ATOM 774 C TYR A 582 -1.999 1.678 1.242 1.00 1.20 C ATOM 775 O TYR A 582 -1.723 0.652 1.875 1.00 1.32 O ATOM 776 CB TYR A 582 -3.907 1.244 -0.295 1.00 1.21 C ATOM 777 CG TYR A 582 -4.595 0.992 -1.624 1.00 1.29 C ATOM 778 CD1 TYR A 582 -4.417 -0.237 -2.291 1.00 2.49 C ATOM 779 CD2 TYR A 582 -5.576 1.896 -2.078 1.00 1.91 C ATOM 780 CE1 TYR A 582 -5.221 -0.569 -3.395 1.00 2.75 C ATOM 781 CE2 TYR A 582 -6.413 1.549 -3.156 1.00 2.14 C ATOM 782 CZ TYR A 582 -6.245 0.307 -3.807 1.00 2.00 C ATOM 783 OH TYR A 582 -7.079 -0.055 -4.815 1.00 2.53 O ATOM 0 H TYR A 582 -1.502 -0.286 -0.433 1.00 1.29 H new ATOM 0 HA TYR A 582 -2.210 2.540 -0.738 1.00 1.17 H new ATOM 0 HB2 TYR A 582 -4.054 0.354 0.317 1.00 1.21 H new ATOM 0 HB3 TYR A 582 -4.440 2.059 0.194 1.00 1.21 H new ATOM 0 HD1 TYR A 582 -3.659 -0.927 -1.952 1.00 2.49 H new ATOM 0 HD2 TYR A 582 -5.686 2.857 -1.598 1.00 1.91 H new ATOM 0 HE1 TYR A 582 -5.054 -1.494 -3.927 1.00 2.75 H new ATOM 0 HE2 TYR A 582 -7.183 2.232 -3.485 1.00 2.14 H new ATOM 0 HH TYR A 582 -7.729 0.661 -4.975 1.00 2.53 H new ATOM 793 N PHE A 583 -2.032 2.875 1.841 1.00 1.09 N ATOM 794 CA PHE A 583 -1.742 3.081 3.272 1.00 1.09 C ATOM 795 C PHE A 583 -2.494 4.273 3.895 1.00 0.96 C ATOM 796 O PHE A 583 -3.005 5.139 3.186 1.00 0.93 O ATOM 797 CB PHE A 583 -0.221 3.144 3.487 1.00 1.29 C ATOM 798 CG PHE A 583 0.570 4.198 2.725 1.00 1.36 C ATOM 799 CD1 PHE A 583 0.889 3.999 1.367 1.00 1.79 C ATOM 800 CD2 PHE A 583 1.087 5.324 3.393 1.00 2.64 C ATOM 801 CE1 PHE A 583 1.744 4.887 0.692 1.00 2.15 C ATOM 802 CE2 PHE A 583 1.939 6.217 2.715 1.00 2.82 C ATOM 803 CZ PHE A 583 2.283 5.991 1.371 1.00 2.04 C ATOM 0 H PHE A 583 -2.262 3.736 1.345 1.00 1.09 H new ATOM 0 HA PHE A 583 -2.131 2.220 3.816 1.00 1.09 H new ATOM 0 HB2 PHE A 583 -0.041 3.297 4.551 1.00 1.29 H new ATOM 0 HB3 PHE A 583 0.192 2.168 3.231 1.00 1.29 H new ATOM 0 HD1 PHE A 583 0.472 3.154 0.839 1.00 1.79 H new ATOM 0 HD2 PHE A 583 0.830 5.503 4.427 1.00 2.64 H new ATOM 0 HE1 PHE A 583 1.986 4.720 -0.347 1.00 2.15 H new ATOM 0 HE2 PHE A 583 2.331 7.081 3.231 1.00 2.82 H new ATOM 0 HZ PHE A 583 2.959 6.663 0.863 1.00 2.04 H new ATOM 813 N ILE A 584 -2.630 4.290 5.228 1.00 0.93 N ATOM 814 CA ILE A 584 -3.576 5.168 5.946 1.00 0.83 C ATOM 815 C ILE A 584 -2.899 6.457 6.433 1.00 0.94 C ATOM 816 O ILE A 584 -2.017 6.410 7.291 1.00 1.00 O ATOM 817 CB ILE A 584 -4.296 4.403 7.088 1.00 0.79 C ATOM 818 CG1 ILE A 584 -4.785 3.024 6.582 1.00 0.76 C ATOM 819 CG2 ILE A 584 -5.503 5.237 7.577 1.00 0.68 C ATOM 820 CD1 ILE A 584 -5.590 2.207 7.588 1.00 0.70 C ATOM 0 H ILE A 584 -2.084 3.691 5.847 1.00 0.93 H new ATOM 0 HA ILE A 584 -4.346 5.477 5.239 1.00 0.83 H new ATOM 0 HB ILE A 584 -3.599 4.247 7.911 1.00 0.79 H new ATOM 0 HG12 ILE A 584 -5.396 3.178 5.692 1.00 0.76 H new ATOM 0 HG13 ILE A 584 -3.917 2.439 6.276 1.00 0.76 H new ATOM 0 HG21 ILE A 584 -6.012 4.704 8.380 1.00 0.68 H new ATOM 0 HG22 ILE A 584 -5.153 6.201 7.947 1.00 0.68 H new ATOM 0 HG23 ILE A 584 -6.195 5.395 6.750 1.00 0.68 H new ATOM 0 HD11 ILE A 584 -5.884 1.260 7.135 1.00 0.70 H new ATOM 0 HD12 ILE A 584 -4.980 2.013 8.470 1.00 0.70 H new ATOM 0 HD13 ILE A 584 -6.482 2.763 7.878 1.00 0.70 H new ATOM 832 N GLN A 585 -3.347 7.608 5.918 1.00 1.02 N ATOM 833 CA GLN A 585 -2.780 8.935 6.201 1.00 1.15 C ATOM 834 C GLN A 585 -3.420 9.547 7.457 1.00 1.17 C ATOM 835 O GLN A 585 -2.713 9.920 8.391 1.00 1.30 O ATOM 836 CB GLN A 585 -2.944 9.805 4.933 1.00 1.26 C ATOM 837 CG GLN A 585 -2.178 11.137 4.891 1.00 1.58 C ATOM 838 CD GLN A 585 -2.816 12.251 5.716 1.00 2.12 C ATOM 839 OE1 GLN A 585 -3.721 12.946 5.279 1.00 3.30 O ATOM 840 NE2 GLN A 585 -2.369 12.464 6.927 1.00 2.18 N ATOM 0 H GLN A 585 -4.137 7.645 5.274 1.00 1.02 H new ATOM 0 HA GLN A 585 -1.716 8.867 6.429 1.00 1.15 H new ATOM 0 HB2 GLN A 585 -2.635 9.210 4.073 1.00 1.26 H new ATOM 0 HB3 GLN A 585 -4.005 10.021 4.807 1.00 1.26 H new ATOM 0 HG2 GLN A 585 -1.162 10.971 5.250 1.00 1.58 H new ATOM 0 HG3 GLN A 585 -2.100 11.466 3.855 1.00 1.58 H new ATOM 0 HE21 GLN A 585 -1.614 11.889 7.300 1.00 2.18 H new ATOM 0 HE22 GLN A 585 -2.776 13.205 7.498 1.00 2.18 H new ATOM 849 N HIS A 586 -4.754 9.603 7.511 1.00 1.09 N ATOM 850 CA HIS A 586 -5.527 10.088 8.662 1.00 1.14 C ATOM 851 C HIS A 586 -6.953 9.511 8.664 1.00 1.05 C ATOM 852 O HIS A 586 -7.767 9.873 7.814 1.00 1.08 O ATOM 853 CB HIS A 586 -5.583 11.624 8.615 1.00 1.22 C ATOM 854 CG HIS A 586 -6.379 12.243 9.737 1.00 1.88 C ATOM 855 ND1 HIS A 586 -5.883 12.702 10.935 1.00 2.33 N ATOM 856 CD2 HIS A 586 -7.733 12.453 9.753 1.00 3.26 C ATOM 857 CE1 HIS A 586 -6.915 13.150 11.669 1.00 2.90 C ATOM 858 NE2 HIS A 586 -8.069 13.026 10.987 1.00 3.58 N ATOM 0 H HIS A 586 -5.344 9.304 6.734 1.00 1.09 H new ATOM 0 HA HIS A 586 -5.035 9.758 9.577 1.00 1.14 H new ATOM 0 HB2 HIS A 586 -4.566 12.016 8.645 1.00 1.22 H new ATOM 0 HB3 HIS A 586 -6.015 11.933 7.663 1.00 1.22 H new ATOM 0 HD2 HIS A 586 -8.421 12.218 8.954 1.00 3.26 H new ATOM 0 HE1 HIS A 586 -6.831 13.553 12.667 1.00 2.90 H new ATOM 0 HE2 HIS A 586 -9.000 13.295 11.304 1.00 3.58 H new ATOM 866 N GLY A 587 -7.280 8.653 9.633 1.00 0.99 N ATOM 867 CA GLY A 587 -8.629 8.148 9.884 1.00 0.97 C ATOM 868 C GLY A 587 -8.602 6.735 10.466 1.00 0.85 C ATOM 869 O GLY A 587 -7.560 6.267 10.931 1.00 0.88 O ATOM 0 H GLY A 587 -6.590 8.279 10.285 1.00 0.99 H new ATOM 0 HA2 GLY A 587 -9.146 8.816 10.573 1.00 0.97 H new ATOM 0 HA3 GLY A 587 -9.197 8.148 8.954 1.00 0.97 H new ATOM 873 N VAL A 588 -9.751 6.055 10.429 1.00 0.78 N ATOM 874 CA VAL A 588 -9.954 4.713 10.996 1.00 0.74 C ATOM 875 C VAL A 588 -10.758 3.840 10.016 1.00 0.68 C ATOM 876 O VAL A 588 -11.624 4.339 9.290 1.00 0.68 O ATOM 877 CB VAL A 588 -10.644 4.786 12.385 1.00 0.81 C ATOM 878 CG1 VAL A 588 -10.786 3.422 13.071 1.00 0.80 C ATOM 879 CG2 VAL A 588 -9.877 5.691 13.362 1.00 0.93 C ATOM 0 H VAL A 588 -10.592 6.431 9.992 1.00 0.78 H new ATOM 0 HA VAL A 588 -8.978 4.251 11.146 1.00 0.74 H new ATOM 0 HB VAL A 588 -11.632 5.190 12.166 1.00 0.81 H new ATOM 0 HG11 VAL A 588 -11.276 3.549 14.036 1.00 0.80 H new ATOM 0 HG12 VAL A 588 -11.384 2.760 12.445 1.00 0.80 H new ATOM 0 HG13 VAL A 588 -9.799 2.985 13.221 1.00 0.80 H new ATOM 0 HG21 VAL A 588 -10.395 5.713 14.321 1.00 0.93 H new ATOM 0 HG22 VAL A 588 -8.869 5.302 13.503 1.00 0.93 H new ATOM 0 HG23 VAL A 588 -9.822 6.701 12.956 1.00 0.93 H new ATOM 889 N VAL A 589 -10.482 2.535 9.980 1.00 0.66 N ATOM 890 CA VAL A 589 -11.125 1.552 9.088 1.00 0.60 C ATOM 891 C VAL A 589 -11.468 0.253 9.827 1.00 0.68 C ATOM 892 O VAL A 589 -10.749 -0.156 10.738 1.00 0.72 O ATOM 893 CB VAL A 589 -10.252 1.243 7.849 1.00 0.60 C ATOM 894 CG1 VAL A 589 -9.931 2.505 7.032 1.00 0.67 C ATOM 895 CG2 VAL A 589 -8.933 0.554 8.208 1.00 0.65 C ATOM 0 H VAL A 589 -9.782 2.113 10.590 1.00 0.66 H new ATOM 0 HA VAL A 589 -12.054 2.007 8.746 1.00 0.60 H new ATOM 0 HB VAL A 589 -10.855 0.563 7.248 1.00 0.60 H new ATOM 0 HG11 VAL A 589 -9.316 2.236 6.173 1.00 0.67 H new ATOM 0 HG12 VAL A 589 -10.859 2.960 6.686 1.00 0.67 H new ATOM 0 HG13 VAL A 589 -9.390 3.215 7.657 1.00 0.67 H new ATOM 0 HG21 VAL A 589 -8.363 0.362 7.299 1.00 0.65 H new ATOM 0 HG22 VAL A 589 -8.354 1.198 8.870 1.00 0.65 H new ATOM 0 HG23 VAL A 589 -9.141 -0.390 8.712 1.00 0.65 H new ATOM 905 N SER A 590 -12.529 -0.423 9.385 1.00 0.77 N ATOM 906 CA SER A 590 -12.786 -1.842 9.698 1.00 1.09 C ATOM 907 C SER A 590 -12.421 -2.786 8.533 1.00 1.29 C ATOM 908 O SER A 590 -12.984 -2.705 7.442 1.00 1.22 O ATOM 909 CB SER A 590 -14.249 -2.075 10.084 1.00 1.41 C ATOM 910 OG SER A 590 -14.567 -1.491 11.326 1.00 1.61 O ATOM 0 H SER A 590 -13.245 -0.003 8.793 1.00 0.77 H new ATOM 0 HA SER A 590 -12.141 -2.076 10.545 1.00 1.09 H new ATOM 0 HB2 SER A 590 -14.898 -1.661 9.312 1.00 1.41 H new ATOM 0 HB3 SER A 590 -14.447 -3.146 10.126 1.00 1.41 H new ATOM 0 HG SER A 590 -15.026 -0.638 11.178 1.00 1.61 H new ATOM 916 N VAL A 591 -11.523 -3.738 8.785 1.00 1.52 N ATOM 917 CA VAL A 591 -11.218 -4.922 7.957 1.00 1.33 C ATOM 918 C VAL A 591 -12.299 -5.976 8.171 1.00 0.92 C ATOM 919 O VAL A 591 -12.740 -6.145 9.303 1.00 0.86 O ATOM 920 CB VAL A 591 -9.871 -5.562 8.368 1.00 1.80 C ATOM 921 CG1 VAL A 591 -9.417 -6.612 7.349 1.00 3.29 C ATOM 922 CG2 VAL A 591 -8.724 -4.563 8.548 1.00 1.27 C ATOM 0 H VAL A 591 -10.947 -3.708 9.626 1.00 1.52 H new ATOM 0 HA VAL A 591 -11.170 -4.596 6.918 1.00 1.33 H new ATOM 0 HB VAL A 591 -10.079 -6.015 9.337 1.00 1.80 H new ATOM 0 HG11 VAL A 591 -8.468 -7.042 7.668 1.00 3.29 H new ATOM 0 HG12 VAL A 591 -10.167 -7.400 7.280 1.00 3.29 H new ATOM 0 HG13 VAL A 591 -9.293 -6.142 6.373 1.00 3.29 H new ATOM 0 HG21 VAL A 591 -7.818 -5.097 8.836 1.00 1.27 H new ATOM 0 HG22 VAL A 591 -8.551 -4.035 7.610 1.00 1.27 H new ATOM 0 HG23 VAL A 591 -8.985 -3.846 9.326 1.00 1.27 H new ATOM 932 N LEU A 592 -12.681 -6.718 7.131 1.00 0.89 N ATOM 933 CA LEU A 592 -13.528 -7.923 7.231 1.00 1.22 C ATOM 934 C LEU A 592 -12.751 -9.177 6.785 1.00 1.62 C ATOM 935 O LEU A 592 -12.184 -9.179 5.687 1.00 1.59 O ATOM 936 CB LEU A 592 -14.789 -7.751 6.351 1.00 1.50 C ATOM 937 CG LEU A 592 -15.995 -6.980 6.923 1.00 1.63 C ATOM 938 CD1 LEU A 592 -16.617 -7.719 8.109 1.00 1.80 C ATOM 939 CD2 LEU A 592 -15.686 -5.540 7.338 1.00 1.70 C ATOM 0 H LEU A 592 -12.408 -6.500 6.173 1.00 0.89 H new ATOM 0 HA LEU A 592 -13.824 -8.051 8.272 1.00 1.22 H new ATOM 0 HB2 LEU A 592 -14.484 -7.251 5.432 1.00 1.50 H new ATOM 0 HB3 LEU A 592 -15.136 -8.746 6.073 1.00 1.50 H new ATOM 0 HG LEU A 592 -16.703 -6.928 6.096 1.00 1.63 H new ATOM 0 HD11 LEU A 592 -17.465 -7.149 8.489 1.00 1.80 H new ATOM 0 HD12 LEU A 592 -16.957 -8.703 7.787 1.00 1.80 H new ATOM 0 HD13 LEU A 592 -15.873 -7.832 8.898 1.00 1.80 H new ATOM 0 HD21 LEU A 592 -16.590 -5.072 7.729 1.00 1.70 H new ATOM 0 HD22 LEU A 592 -14.915 -5.541 8.109 1.00 1.70 H new ATOM 0 HD23 LEU A 592 -15.333 -4.980 6.472 1.00 1.70 H new ATOM 951 N THR A 593 -12.768 -10.271 7.564 1.00 2.17 N ATOM 952 CA THR A 593 -12.189 -11.564 7.136 1.00 2.63 C ATOM 953 C THR A 593 -13.243 -12.656 6.941 1.00 2.92 C ATOM 954 O THR A 593 -14.156 -12.828 7.756 1.00 2.96 O ATOM 955 CB THR A 593 -11.046 -12.049 8.045 1.00 2.89 C ATOM 956 OG1 THR A 593 -11.220 -11.709 9.399 1.00 2.76 O ATOM 957 CG2 THR A 593 -9.712 -11.462 7.603 1.00 2.94 C ATOM 0 H THR A 593 -13.177 -10.290 8.498 1.00 2.17 H new ATOM 0 HA THR A 593 -11.751 -11.362 6.158 1.00 2.63 H new ATOM 0 HB THR A 593 -11.057 -13.135 7.951 1.00 2.89 H new ATOM 0 HG1 THR A 593 -10.463 -12.047 9.921 1.00 2.76 H new ATOM 0 HG21 THR A 593 -8.921 -11.820 8.262 1.00 2.94 H new ATOM 0 HG22 THR A 593 -9.500 -11.771 6.579 1.00 2.94 H new ATOM 0 HG23 THR A 593 -9.759 -10.374 7.651 1.00 2.94 H new ATOM 965 N LYS A 594 -13.118 -13.417 5.844 1.00 3.20 N ATOM 966 CA LYS A 594 -13.993 -14.553 5.516 1.00 3.51 C ATOM 967 C LYS A 594 -13.948 -15.634 6.603 1.00 3.74 C ATOM 968 O LYS A 594 -12.883 -15.914 7.154 1.00 3.70 O ATOM 969 CB LYS A 594 -13.707 -15.082 4.093 1.00 3.76 C ATOM 970 CG LYS A 594 -12.455 -15.959 3.909 1.00 4.13 C ATOM 971 CD LYS A 594 -11.104 -15.253 4.121 1.00 4.05 C ATOM 972 CE LYS A 594 -9.910 -16.091 3.633 1.00 4.58 C ATOM 973 NZ LYS A 594 -9.793 -17.394 4.332 1.00 5.58 N ATOM 0 H LYS A 594 -12.392 -13.257 5.146 1.00 3.20 H new ATOM 0 HA LYS A 594 -15.025 -14.202 5.502 1.00 3.51 H new ATOM 0 HB2 LYS A 594 -14.573 -15.656 3.765 1.00 3.76 H new ATOM 0 HB3 LYS A 594 -13.621 -14.225 3.425 1.00 3.76 H new ATOM 0 HG2 LYS A 594 -12.517 -16.798 4.602 1.00 4.13 H new ATOM 0 HG3 LYS A 594 -12.471 -16.376 2.902 1.00 4.13 H new ATOM 0 HD2 LYS A 594 -11.111 -14.299 3.594 1.00 4.05 H new ATOM 0 HD3 LYS A 594 -10.977 -15.031 5.181 1.00 4.05 H new ATOM 0 HE2 LYS A 594 -10.010 -16.267 2.562 1.00 4.58 H new ATOM 0 HE3 LYS A 594 -8.991 -15.523 3.778 1.00 4.58 H new ATOM 0 HZ1 LYS A 594 -8.972 -17.914 3.962 1.00 5.58 H new ATOM 0 HZ2 LYS A 594 -9.669 -17.231 5.352 1.00 5.58 H new ATOM 0 HZ3 LYS A 594 -10.656 -17.952 4.173 1.00 5.58 H new ATOM 987 N GLY A 595 -15.111 -16.180 6.959 1.00 4.53 N ATOM 988 CA GLY A 595 -15.320 -17.002 8.160 1.00 4.80 C ATOM 989 C GLY A 595 -15.636 -16.205 9.428 1.00 4.57 C ATOM 990 O GLY A 595 -16.245 -16.735 10.363 1.00 4.95 O ATOM 0 H GLY A 595 -15.960 -16.062 6.407 1.00 4.53 H new ATOM 0 HA2 GLY A 595 -16.137 -17.698 7.971 1.00 4.80 H new ATOM 0 HA3 GLY A 595 -14.426 -17.600 8.335 1.00 4.80 H new ATOM 994 N ASN A 596 -15.183 -14.952 9.488 1.00 4.00 N ATOM 995 CA ASN A 596 -14.743 -14.334 10.733 1.00 3.77 C ATOM 996 C ASN A 596 -15.392 -12.953 10.938 1.00 3.35 C ATOM 997 O ASN A 596 -16.520 -12.706 10.492 1.00 3.49 O ATOM 998 CB ASN A 596 -13.208 -14.267 10.709 1.00 3.66 C ATOM 999 CG ASN A 596 -12.453 -15.543 10.372 1.00 4.22 C ATOM 1000 OD1 ASN A 596 -12.947 -16.657 10.486 1.00 4.77 O ATOM 1001 ND2 ASN A 596 -11.194 -15.420 10.038 1.00 4.22 N ATOM 0 H ASN A 596 -15.112 -14.340 8.675 1.00 4.00 H new ATOM 0 HA ASN A 596 -15.062 -14.933 11.586 1.00 3.77 H new ATOM 0 HB2 ASN A 596 -12.916 -13.504 9.988 1.00 3.66 H new ATOM 0 HB3 ASN A 596 -12.871 -13.926 11.688 1.00 3.66 H new ATOM 0 HD21 ASN A 596 -10.627 -16.251 9.873 1.00 4.22 H new ATOM 0 HD22 ASN A 596 -10.780 -14.493 9.942 1.00 4.22 H new ATOM 1008 N LYS A 597 -14.718 -12.084 11.699 1.00 2.97 N ATOM 1009 CA LYS A 597 -15.240 -10.825 12.218 1.00 2.67 C ATOM 1010 C LYS A 597 -14.749 -9.595 11.461 1.00 2.03 C ATOM 1011 O LYS A 597 -13.929 -9.685 10.544 1.00 1.97 O ATOM 1012 CB LYS A 597 -14.946 -10.726 13.730 1.00 2.83 C ATOM 1013 CG LYS A 597 -15.268 -11.990 14.549 1.00 3.37 C ATOM 1014 CD LYS A 597 -14.066 -12.939 14.707 1.00 3.21 C ATOM 1015 CE LYS A 597 -14.321 -14.348 14.183 1.00 4.10 C ATOM 1016 NZ LYS A 597 -13.404 -15.327 14.812 1.00 4.29 N ATOM 0 H LYS A 597 -13.752 -12.251 11.980 1.00 2.97 H new ATOM 0 HA LYS A 597 -16.318 -10.834 12.060 1.00 2.67 H new ATOM 0 HB2 LYS A 597 -13.891 -10.486 13.863 1.00 2.83 H new ATOM 0 HB3 LYS A 597 -15.516 -9.893 14.140 1.00 2.83 H new ATOM 0 HG2 LYS A 597 -15.620 -11.694 15.537 1.00 3.37 H new ATOM 0 HG3 LYS A 597 -16.085 -12.527 14.068 1.00 3.37 H new ATOM 0 HD2 LYS A 597 -13.209 -12.516 14.182 1.00 3.21 H new ATOM 0 HD3 LYS A 597 -13.797 -12.997 15.762 1.00 3.21 H new ATOM 0 HE2 LYS A 597 -15.354 -14.632 14.384 1.00 4.10 H new ATOM 0 HE3 LYS A 597 -14.190 -14.366 13.101 1.00 4.10 H new ATOM 0 HZ1 LYS A 597 -13.600 -16.277 14.437 1.00 4.29 H new ATOM 0 HZ2 LYS A 597 -12.420 -15.067 14.599 1.00 4.29 H new ATOM 0 HZ3 LYS A 597 -13.548 -15.325 15.842 1.00 4.29 H new ATOM 1030 N GLU A 598 -15.242 -8.437 11.894 1.00 1.83 N ATOM 1031 CA GLU A 598 -14.606 -7.156 11.595 1.00 1.38 C ATOM 1032 C GLU A 598 -13.468 -6.825 12.589 1.00 1.11 C ATOM 1033 O GLU A 598 -13.505 -7.245 13.753 1.00 1.22 O ATOM 1034 CB GLU A 598 -15.640 -6.030 11.400 1.00 1.94 C ATOM 1035 CG GLU A 598 -16.213 -5.436 12.691 1.00 2.50 C ATOM 1036 CD GLU A 598 -17.323 -4.417 12.393 1.00 3.30 C ATOM 1037 OE1 GLU A 598 -17.013 -3.274 11.984 1.00 4.40 O ATOM 1038 OE2 GLU A 598 -18.529 -4.727 12.563 1.00 3.58 O ATOM 0 H GLU A 598 -16.088 -8.360 12.458 1.00 1.83 H new ATOM 0 HA GLU A 598 -14.109 -7.247 10.629 1.00 1.38 H new ATOM 0 HB2 GLU A 598 -15.176 -5.228 10.826 1.00 1.94 H new ATOM 0 HB3 GLU A 598 -16.464 -6.416 10.800 1.00 1.94 H new ATOM 0 HG2 GLU A 598 -16.609 -6.236 13.317 1.00 2.50 H new ATOM 0 HG3 GLU A 598 -15.416 -4.953 13.257 1.00 2.50 H new ATOM 1045 N MET A 599 -12.440 -6.096 12.138 1.00 0.89 N ATOM 1046 CA MET A 599 -11.218 -5.755 12.893 1.00 0.92 C ATOM 1047 C MET A 599 -10.732 -4.340 12.559 1.00 1.16 C ATOM 1048 O MET A 599 -10.743 -3.946 11.400 1.00 1.78 O ATOM 1049 CB MET A 599 -10.087 -6.738 12.551 1.00 1.18 C ATOM 1050 CG MET A 599 -10.398 -8.175 12.971 1.00 1.81 C ATOM 1051 SD MET A 599 -9.203 -9.421 12.410 1.00 2.35 S ATOM 1052 CE MET A 599 -9.328 -9.254 10.602 1.00 2.23 C ATOM 0 H MET A 599 -12.432 -5.708 11.195 1.00 0.89 H new ATOM 0 HA MET A 599 -11.469 -5.813 13.952 1.00 0.92 H new ATOM 0 HB2 MET A 599 -9.902 -6.711 11.477 1.00 1.18 H new ATOM 0 HB3 MET A 599 -9.169 -6.412 13.041 1.00 1.18 H new ATOM 0 HG2 MET A 599 -10.456 -8.214 14.059 1.00 1.81 H new ATOM 0 HG3 MET A 599 -11.383 -8.443 12.590 1.00 1.81 H new ATOM 0 HE1 MET A 599 -8.913 -10.142 10.125 1.00 2.23 H new ATOM 0 HE2 MET A 599 -10.375 -9.145 10.318 1.00 2.23 H new ATOM 0 HE3 MET A 599 -8.771 -8.375 10.278 1.00 2.23 H new ATOM 1062 N LYS A 600 -10.281 -3.565 13.545 1.00 1.02 N ATOM 1063 CA LYS A 600 -9.940 -2.143 13.386 1.00 0.97 C ATOM 1064 C LYS A 600 -8.474 -1.856 13.020 1.00 0.94 C ATOM 1065 O LYS A 600 -7.558 -2.477 13.565 1.00 1.08 O ATOM 1066 CB LYS A 600 -10.398 -1.380 14.645 1.00 1.12 C ATOM 1067 CG LYS A 600 -11.443 -0.303 14.332 1.00 1.03 C ATOM 1068 CD LYS A 600 -12.775 -0.779 13.740 1.00 1.00 C ATOM 1069 CE LYS A 600 -13.531 -1.792 14.607 1.00 1.31 C ATOM 1070 NZ LYS A 600 -14.918 -1.997 14.120 1.00 2.15 N ATOM 0 H LYS A 600 -10.138 -3.909 14.495 1.00 1.02 H new ATOM 0 HA LYS A 600 -10.480 -1.780 12.512 1.00 0.97 H new ATOM 0 HB2 LYS A 600 -10.814 -2.087 15.363 1.00 1.12 H new ATOM 0 HB3 LYS A 600 -9.533 -0.916 15.119 1.00 1.12 H new ATOM 0 HG2 LYS A 600 -11.656 0.240 15.253 1.00 1.03 H new ATOM 0 HG3 LYS A 600 -10.998 0.409 13.637 1.00 1.03 H new ATOM 0 HD2 LYS A 600 -13.415 0.088 13.575 1.00 1.00 H new ATOM 0 HD3 LYS A 600 -12.585 -1.226 12.764 1.00 1.00 H new ATOM 0 HE2 LYS A 600 -12.999 -2.743 14.604 1.00 1.31 H new ATOM 0 HE3 LYS A 600 -13.555 -1.443 15.639 1.00 1.31 H new ATOM 0 HZ1 LYS A 600 -15.224 -2.966 14.343 1.00 2.15 H new ATOM 0 HZ2 LYS A 600 -15.553 -1.317 14.585 1.00 2.15 H new ATOM 0 HZ3 LYS A 600 -14.950 -1.852 13.091 1.00 2.15 H new ATOM 1084 N LEU A 601 -8.275 -0.867 12.143 1.00 0.86 N ATOM 1085 CA LEU A 601 -7.000 -0.255 11.715 1.00 0.86 C ATOM 1086 C LEU A 601 -7.126 1.285 11.732 1.00 0.81 C ATOM 1087 O LEU A 601 -8.228 1.820 11.614 1.00 0.82 O ATOM 1088 CB LEU A 601 -6.636 -0.727 10.284 1.00 0.90 C ATOM 1089 CG LEU A 601 -5.446 -1.685 10.149 1.00 0.99 C ATOM 1090 CD1 LEU A 601 -5.766 -3.037 10.760 1.00 1.03 C ATOM 1091 CD2 LEU A 601 -5.133 -1.907 8.667 1.00 1.07 C ATOM 0 H LEU A 601 -9.067 -0.432 11.670 1.00 0.86 H new ATOM 0 HA LEU A 601 -6.214 -0.563 12.405 1.00 0.86 H new ATOM 0 HB2 LEU A 601 -7.512 -1.212 9.854 1.00 0.90 H new ATOM 0 HB3 LEU A 601 -6.431 0.156 9.678 1.00 0.90 H new ATOM 0 HG LEU A 601 -4.597 -1.239 10.667 1.00 0.99 H new ATOM 0 HD11 LEU A 601 -4.906 -3.698 10.651 1.00 1.03 H new ATOM 0 HD12 LEU A 601 -5.997 -2.913 11.818 1.00 1.03 H new ATOM 0 HD13 LEU A 601 -6.625 -3.473 10.250 1.00 1.03 H new ATOM 0 HD21 LEU A 601 -4.287 -2.588 8.572 1.00 1.07 H new ATOM 0 HD22 LEU A 601 -6.003 -2.338 8.172 1.00 1.07 H new ATOM 0 HD23 LEU A 601 -4.885 -0.953 8.201 1.00 1.07 H new ATOM 1103 N SER A 602 -6.007 2.008 11.814 1.00 0.86 N ATOM 1104 CA SER A 602 -5.968 3.482 11.917 1.00 0.92 C ATOM 1105 C SER A 602 -4.768 4.102 11.183 1.00 0.97 C ATOM 1106 O SER A 602 -3.988 3.388 10.554 1.00 1.01 O ATOM 1107 CB SER A 602 -5.982 3.892 13.396 1.00 1.18 C ATOM 1108 OG SER A 602 -4.939 3.253 14.106 1.00 1.60 O ATOM 0 H SER A 602 -5.080 1.583 11.811 1.00 0.86 H new ATOM 0 HA SER A 602 -6.857 3.872 11.420 1.00 0.92 H new ATOM 0 HB2 SER A 602 -5.875 4.974 13.479 1.00 1.18 H new ATOM 0 HB3 SER A 602 -6.943 3.632 13.841 1.00 1.18 H new ATOM 0 HG SER A 602 -4.966 3.530 15.046 1.00 1.60 H new ATOM 1114 N ASP A 603 -4.613 5.431 11.226 1.00 1.04 N ATOM 1115 CA ASP A 603 -3.490 6.134 10.586 1.00 1.11 C ATOM 1116 C ASP A 603 -2.117 5.529 10.931 1.00 1.24 C ATOM 1117 O ASP A 603 -1.876 5.133 12.075 1.00 1.39 O ATOM 1118 CB ASP A 603 -3.554 7.645 10.853 1.00 1.25 C ATOM 1119 CG ASP A 603 -2.858 8.145 12.128 1.00 1.38 C ATOM 1120 OD1 ASP A 603 -1.648 8.478 12.062 1.00 1.71 O ATOM 1121 OD2 ASP A 603 -3.540 8.347 13.160 1.00 2.11 O ATOM 0 H ASP A 603 -5.264 6.052 11.706 1.00 1.04 H new ATOM 0 HA ASP A 603 -3.602 5.988 9.512 1.00 1.11 H new ATOM 0 HB2 ASP A 603 -3.115 8.161 9.999 1.00 1.25 H new ATOM 0 HB3 ASP A 603 -4.602 7.939 10.899 1.00 1.25 H new ATOM 1126 N GLY A 604 -1.227 5.416 9.941 1.00 1.24 N ATOM 1127 CA GLY A 604 0.035 4.683 10.094 1.00 1.45 C ATOM 1128 C GLY A 604 -0.092 3.151 10.033 1.00 1.60 C ATOM 1129 O GLY A 604 0.757 2.438 10.567 1.00 2.29 O ATOM 0 H GLY A 604 -1.358 5.827 9.017 1.00 1.24 H new ATOM 0 HA2 GLY A 604 0.723 5.007 9.313 1.00 1.45 H new ATOM 0 HA3 GLY A 604 0.484 4.958 11.048 1.00 1.45 H new ATOM 1133 N SER A 605 -1.158 2.645 9.411 1.00 1.17 N ATOM 1134 CA SER A 605 -1.326 1.239 9.015 1.00 1.17 C ATOM 1135 C SER A 605 -1.271 1.078 7.486 1.00 1.15 C ATOM 1136 O SER A 605 -1.448 2.047 6.741 1.00 1.06 O ATOM 1137 CB SER A 605 -2.641 0.687 9.564 1.00 1.06 C ATOM 1138 OG SER A 605 -2.626 0.607 10.980 1.00 1.08 O ATOM 0 H SER A 605 -1.960 3.222 9.158 1.00 1.17 H new ATOM 0 HA SER A 605 -0.500 0.669 9.440 1.00 1.17 H new ATOM 0 HB2 SER A 605 -3.465 1.325 9.244 1.00 1.06 H new ATOM 0 HB3 SER A 605 -2.823 -0.303 9.146 1.00 1.06 H new ATOM 0 HG SER A 605 -3.058 1.402 11.357 1.00 1.08 H new ATOM 1144 N TYR A 606 -1.033 -0.149 7.015 1.00 1.29 N ATOM 1145 CA TYR A 606 -0.660 -0.454 5.627 1.00 1.51 C ATOM 1146 C TYR A 606 -1.429 -1.682 5.092 1.00 1.51 C ATOM 1147 O TYR A 606 -1.565 -2.689 5.797 1.00 1.56 O ATOM 1148 CB TYR A 606 0.866 -0.672 5.561 1.00 1.89 C ATOM 1149 CG TYR A 606 1.729 0.452 6.137 1.00 3.06 C ATOM 1150 CD1 TYR A 606 2.025 0.485 7.515 1.00 4.36 C ATOM 1151 CD2 TYR A 606 2.278 1.438 5.296 1.00 4.27 C ATOM 1152 CE1 TYR A 606 2.841 1.504 8.048 1.00 5.97 C ATOM 1153 CE2 TYR A 606 3.116 2.445 5.816 1.00 6.14 C ATOM 1154 CZ TYR A 606 3.396 2.486 7.202 1.00 6.75 C ATOM 1155 OH TYR A 606 4.221 3.439 7.720 1.00 8.64 O ATOM 0 H TYR A 606 -1.095 -0.981 7.602 1.00 1.29 H new ATOM 0 HA TYR A 606 -0.933 0.385 4.987 1.00 1.51 H new ATOM 0 HB2 TYR A 606 1.105 -1.594 6.091 1.00 1.89 H new ATOM 0 HB3 TYR A 606 1.147 -0.821 4.518 1.00 1.89 H new ATOM 0 HD1 TYR A 606 1.624 -0.276 8.168 1.00 4.36 H new ATOM 0 HD2 TYR A 606 2.054 1.423 4.239 1.00 4.27 H new ATOM 0 HE1 TYR A 606 3.042 1.532 9.109 1.00 5.97 H new ATOM 0 HE2 TYR A 606 3.544 3.185 5.156 1.00 6.14 H new ATOM 0 HH TYR A 606 4.557 4.009 6.997 1.00 8.64 H new ATOM 1165 N PHE A 607 -1.929 -1.600 3.852 1.00 1.49 N ATOM 1166 CA PHE A 607 -2.807 -2.606 3.227 1.00 1.50 C ATOM 1167 C PHE A 607 -2.149 -3.472 2.127 1.00 1.99 C ATOM 1168 O PHE A 607 -0.992 -3.288 1.739 1.00 2.50 O ATOM 1169 CB PHE A 607 -4.007 -1.880 2.601 1.00 1.66 C ATOM 1170 CG PHE A 607 -4.854 -1.009 3.500 1.00 1.32 C ATOM 1171 CD1 PHE A 607 -5.585 -1.576 4.560 1.00 2.06 C ATOM 1172 CD2 PHE A 607 -5.048 0.339 3.161 1.00 2.10 C ATOM 1173 CE1 PHE A 607 -6.515 -0.792 5.265 1.00 2.37 C ATOM 1174 CE2 PHE A 607 -6.007 1.105 3.830 1.00 1.79 C ATOM 1175 CZ PHE A 607 -6.733 0.547 4.892 1.00 1.39 C ATOM 0 H PHE A 607 -1.730 -0.811 3.236 1.00 1.49 H new ATOM 0 HA PHE A 607 -3.083 -3.292 4.028 1.00 1.50 H new ATOM 0 HB2 PHE A 607 -3.634 -1.258 1.787 1.00 1.66 H new ATOM 0 HB3 PHE A 607 -4.657 -2.632 2.155 1.00 1.66 H new ATOM 0 HD1 PHE A 607 -5.432 -2.610 4.831 1.00 2.06 H new ATOM 0 HD2 PHE A 607 -4.453 0.787 2.379 1.00 2.10 H new ATOM 0 HE1 PHE A 607 -7.062 -1.218 6.093 1.00 2.37 H new ATOM 0 HE2 PHE A 607 -6.189 2.126 3.529 1.00 1.79 H new ATOM 0 HZ PHE A 607 -7.459 1.145 5.423 1.00 1.39 H new ATOM 1185 N GLY A 608 -2.956 -4.378 1.564 1.00 2.00 N ATOM 1186 CA GLY A 608 -2.714 -5.083 0.302 1.00 2.39 C ATOM 1187 C GLY A 608 -1.927 -6.390 0.462 1.00 2.75 C ATOM 1188 O GLY A 608 -1.524 -6.744 1.575 1.00 4.00 O ATOM 0 H GLY A 608 -3.838 -4.652 1.997 1.00 2.00 H new ATOM 0 HA2 GLY A 608 -3.672 -5.302 -0.170 1.00 2.39 H new ATOM 0 HA3 GLY A 608 -2.170 -4.423 -0.373 1.00 2.39 H new ATOM 1192 N GLU A 609 -1.699 -7.111 -0.640 1.00 2.43 N ATOM 1193 CA GLU A 609 -0.778 -8.261 -0.695 1.00 2.83 C ATOM 1194 C GLU A 609 0.148 -8.150 -1.914 1.00 2.44 C ATOM 1195 O GLU A 609 -0.242 -8.523 -3.023 1.00 3.10 O ATOM 1196 CB GLU A 609 -1.516 -9.620 -0.703 1.00 3.70 C ATOM 1197 CG GLU A 609 -0.504 -10.783 -0.573 1.00 5.00 C ATOM 1198 CD GLU A 609 -1.057 -12.140 -1.021 1.00 5.49 C ATOM 1199 OE1 GLU A 609 -1.047 -12.419 -2.245 1.00 6.12 O ATOM 1200 OE2 GLU A 609 -1.447 -12.962 -0.152 1.00 5.95 O ATOM 0 H GLU A 609 -2.152 -6.914 -1.532 1.00 2.43 H new ATOM 0 HA GLU A 609 -0.182 -8.229 0.217 1.00 2.83 H new ATOM 0 HB2 GLU A 609 -2.231 -9.658 0.119 1.00 3.70 H new ATOM 0 HB3 GLU A 609 -2.086 -9.726 -1.626 1.00 3.70 H new ATOM 0 HG2 GLU A 609 0.381 -10.549 -1.164 1.00 5.00 H new ATOM 0 HG3 GLU A 609 -0.183 -10.858 0.466 1.00 5.00 H new ATOM 1207 N ILE A 610 1.399 -7.736 -1.685 1.00 2.83 N ATOM 1208 CA ILE A 610 2.530 -7.781 -2.632 1.00 3.05 C ATOM 1209 C ILE A 610 2.265 -7.072 -3.973 1.00 2.66 C ATOM 1210 O ILE A 610 2.701 -5.934 -4.144 1.00 3.92 O ATOM 1211 CB ILE A 610 3.084 -9.231 -2.755 1.00 3.82 C ATOM 1212 CG1 ILE A 610 3.769 -9.652 -1.438 1.00 5.30 C ATOM 1213 CG2 ILE A 610 4.032 -9.414 -3.960 1.00 4.23 C ATOM 1214 CD1 ILE A 610 3.952 -11.170 -1.280 1.00 6.52 C ATOM 0 H ILE A 610 1.669 -7.338 -0.786 1.00 2.83 H new ATOM 0 HA ILE A 610 3.331 -7.176 -2.208 1.00 3.05 H new ATOM 0 HB ILE A 610 2.232 -9.886 -2.940 1.00 3.82 H new ATOM 0 HG12 ILE A 610 4.746 -9.172 -1.380 1.00 5.30 H new ATOM 0 HG13 ILE A 610 3.180 -9.279 -0.600 1.00 5.30 H new ATOM 0 HG21 ILE A 610 4.385 -10.445 -3.992 1.00 4.23 H new ATOM 0 HG22 ILE A 610 3.497 -9.185 -4.882 1.00 4.23 H new ATOM 0 HG23 ILE A 610 4.884 -8.742 -3.858 1.00 4.23 H new ATOM 0 HD11 ILE A 610 4.440 -11.381 -0.329 1.00 6.52 H new ATOM 0 HD12 ILE A 610 2.978 -11.658 -1.304 1.00 6.52 H new ATOM 0 HD13 ILE A 610 4.568 -11.549 -2.096 1.00 6.52 H new ATOM 1226 N CYS A 611 1.607 -7.744 -4.921 1.00 2.15 N ATOM 1227 CA CYS A 611 1.476 -7.449 -6.355 1.00 2.81 C ATOM 1228 C CYS A 611 2.792 -7.307 -7.150 1.00 2.42 C ATOM 1229 O CYS A 611 2.898 -7.891 -8.231 1.00 3.17 O ATOM 1230 CB CYS A 611 0.503 -6.288 -6.562 1.00 4.21 C ATOM 1231 SG CYS A 611 -1.167 -6.814 -6.067 1.00 5.63 S ATOM 0 H CYS A 611 1.100 -8.596 -4.681 1.00 2.15 H new ATOM 0 HA CYS A 611 1.055 -8.348 -6.805 1.00 2.81 H new ATOM 0 HB2 CYS A 611 0.816 -5.426 -5.973 1.00 4.21 H new ATOM 0 HB3 CYS A 611 0.505 -5.978 -7.607 1.00 4.21 H new ATOM 0 HG CYS A 611 -1.100 -7.479 -4.952 1.00 5.63 H new ATOM 1237 N LEU A 612 3.810 -6.615 -6.620 1.00 1.87 N ATOM 1238 CA LEU A 612 5.043 -6.192 -7.312 1.00 1.71 C ATOM 1239 C LEU A 612 5.682 -7.273 -8.197 1.00 1.91 C ATOM 1240 O LEU A 612 6.141 -6.960 -9.295 1.00 2.08 O ATOM 1241 CB LEU A 612 6.089 -5.754 -6.265 1.00 1.82 C ATOM 1242 CG LEU A 612 5.783 -4.396 -5.619 1.00 1.35 C ATOM 1243 CD1 LEU A 612 6.543 -4.229 -4.312 1.00 1.85 C ATOM 1244 CD2 LEU A 612 6.169 -3.218 -6.516 1.00 1.07 C ATOM 0 H LEU A 612 3.798 -6.318 -5.644 1.00 1.87 H new ATOM 0 HA LEU A 612 4.745 -5.377 -7.971 1.00 1.71 H new ATOM 0 HB2 LEU A 612 6.149 -6.513 -5.485 1.00 1.82 H new ATOM 0 HB3 LEU A 612 7.069 -5.708 -6.740 1.00 1.82 H new ATOM 0 HG LEU A 612 4.706 -4.390 -5.452 1.00 1.35 H new ATOM 0 HD11 LEU A 612 6.308 -3.258 -3.876 1.00 1.85 H new ATOM 0 HD12 LEU A 612 6.252 -5.018 -3.619 1.00 1.85 H new ATOM 0 HD13 LEU A 612 7.614 -4.291 -4.504 1.00 1.85 H new ATOM 0 HD21 LEU A 612 5.931 -2.282 -6.010 1.00 1.07 H new ATOM 0 HD22 LEU A 612 7.238 -3.255 -6.726 1.00 1.07 H new ATOM 0 HD23 LEU A 612 5.613 -3.276 -7.452 1.00 1.07 H new ATOM 1256 N LEU A 613 5.728 -8.520 -7.714 1.00 2.07 N ATOM 1257 CA LEU A 613 6.262 -9.686 -8.431 1.00 2.39 C ATOM 1258 C LEU A 613 5.386 -10.954 -8.381 1.00 2.20 C ATOM 1259 O LEU A 613 5.844 -12.046 -8.707 1.00 2.39 O ATOM 1260 CB LEU A 613 7.726 -9.903 -8.024 1.00 2.87 C ATOM 1261 CG LEU A 613 8.080 -9.916 -6.524 1.00 2.84 C ATOM 1262 CD1 LEU A 613 7.320 -10.980 -5.733 1.00 3.23 C ATOM 1263 CD2 LEU A 613 9.581 -10.162 -6.358 1.00 3.57 C ATOM 0 H LEU A 613 5.383 -8.754 -6.783 1.00 2.07 H new ATOM 0 HA LEU A 613 6.232 -9.455 -9.496 1.00 2.39 H new ATOM 0 HB2 LEU A 613 8.051 -10.853 -8.449 1.00 2.87 H new ATOM 0 HB3 LEU A 613 8.321 -9.122 -8.498 1.00 2.87 H new ATOM 0 HG LEU A 613 7.789 -8.944 -6.126 1.00 2.84 H new ATOM 0 HD11 LEU A 613 7.616 -10.935 -4.685 1.00 3.23 H new ATOM 0 HD12 LEU A 613 6.248 -10.799 -5.816 1.00 3.23 H new ATOM 0 HD13 LEU A 613 7.553 -11.967 -6.134 1.00 3.23 H new ATOM 0 HD21 LEU A 613 9.833 -10.171 -5.298 1.00 3.57 H new ATOM 0 HD22 LEU A 613 9.844 -11.122 -6.802 1.00 3.57 H new ATOM 0 HD23 LEU A 613 10.137 -9.368 -6.856 1.00 3.57 H new ATOM 1275 N THR A 614 4.128 -10.820 -7.968 1.00 2.00 N ATOM 1276 CA THR A 614 3.128 -11.917 -7.904 1.00 1.92 C ATOM 1277 C THR A 614 2.176 -11.927 -9.108 1.00 2.14 C ATOM 1278 O THR A 614 2.057 -10.922 -9.818 1.00 2.52 O ATOM 1279 CB THR A 614 2.357 -11.919 -6.572 1.00 2.05 C ATOM 1280 OG1 THR A 614 1.747 -10.681 -6.306 1.00 2.88 O ATOM 1281 CG2 THR A 614 3.251 -12.355 -5.415 1.00 2.64 C ATOM 0 H THR A 614 3.752 -9.925 -7.657 1.00 2.00 H new ATOM 0 HA THR A 614 3.697 -12.845 -7.952 1.00 1.92 H new ATOM 0 HB THR A 614 1.556 -12.651 -6.673 1.00 2.05 H new ATOM 0 HG1 THR A 614 1.268 -10.729 -5.452 1.00 2.88 H new ATOM 0 HG21 THR A 614 2.677 -12.346 -4.488 1.00 2.64 H new ATOM 0 HG22 THR A 614 3.623 -13.363 -5.602 1.00 2.64 H new ATOM 0 HG23 THR A 614 4.093 -11.668 -5.327 1.00 2.64 H new ATOM 1289 N ARG A 615 1.521 -13.070 -9.367 1.00 2.17 N ATOM 1290 CA ARG A 615 0.724 -13.374 -10.573 1.00 2.60 C ATOM 1291 C ARG A 615 -0.760 -13.592 -10.249 1.00 2.34 C ATOM 1292 O ARG A 615 -1.092 -14.301 -9.300 1.00 2.39 O ATOM 1293 CB ARG A 615 1.313 -14.627 -11.255 1.00 3.33 C ATOM 1294 CG ARG A 615 2.487 -14.312 -12.194 1.00 3.54 C ATOM 1295 CD ARG A 615 3.320 -15.552 -12.561 1.00 4.31 C ATOM 1296 NE ARG A 615 2.592 -16.573 -13.347 1.00 5.29 N ATOM 1297 CZ ARG A 615 3.112 -17.721 -13.763 1.00 6.49 C ATOM 1298 NH1 ARG A 615 4.341 -18.063 -13.502 1.00 7.05 N ATOM 1299 NH2 ARG A 615 2.415 -18.564 -14.466 1.00 7.64 N ATOM 0 H ARG A 615 1.532 -13.849 -8.709 1.00 2.17 H new ATOM 0 HA ARG A 615 0.777 -12.517 -11.244 1.00 2.60 H new ATOM 0 HB2 ARG A 615 1.647 -15.326 -10.488 1.00 3.33 H new ATOM 0 HB3 ARG A 615 0.527 -15.127 -11.822 1.00 3.33 H new ATOM 0 HG2 ARG A 615 2.102 -13.858 -13.107 1.00 3.54 H new ATOM 0 HG3 ARG A 615 3.135 -13.574 -11.720 1.00 3.54 H new ATOM 0 HD2 ARG A 615 4.194 -15.231 -13.128 1.00 4.31 H new ATOM 0 HD3 ARG A 615 3.686 -16.012 -11.643 1.00 4.31 H new ATOM 0 HE ARG A 615 1.619 -16.380 -13.587 1.00 5.29 H new ATOM 0 HH11 ARG A 615 4.940 -17.440 -12.960 1.00 7.05 H new ATOM 0 HH12 ARG A 615 4.705 -18.954 -13.839 1.00 7.05 H new ATOM 0 HH21 ARG A 615 1.448 -18.349 -14.708 1.00 7.64 H new ATOM 0 HH22 ARG A 615 2.835 -19.440 -14.775 1.00 7.64 H new ATOM 1313 N GLY A 616 -1.643 -13.045 -11.085 1.00 2.62 N ATOM 1314 CA GLY A 616 -3.101 -13.205 -10.995 1.00 2.68 C ATOM 1315 C GLY A 616 -3.823 -12.326 -9.961 1.00 2.20 C ATOM 1316 O GLY A 616 -3.196 -11.623 -9.164 1.00 2.27 O ATOM 0 H GLY A 616 -1.358 -12.459 -11.870 1.00 2.62 H new ATOM 0 HA2 GLY A 616 -3.528 -12.999 -11.976 1.00 2.68 H new ATOM 0 HA3 GLY A 616 -3.317 -14.249 -10.766 1.00 2.68 H new ATOM 1320 N ARG A 617 -5.164 -12.341 -9.987 1.00 2.11 N ATOM 1321 CA ARG A 617 -6.071 -11.561 -9.110 1.00 1.91 C ATOM 1322 C ARG A 617 -5.873 -11.828 -7.609 1.00 1.91 C ATOM 1323 O ARG A 617 -5.689 -12.978 -7.195 1.00 2.15 O ATOM 1324 CB ARG A 617 -7.532 -11.879 -9.476 1.00 2.08 C ATOM 1325 CG ARG A 617 -7.875 -11.402 -10.894 1.00 2.46 C ATOM 1326 CD ARG A 617 -9.280 -11.799 -11.351 1.00 2.02 C ATOM 1327 NE ARG A 617 -9.403 -13.264 -11.473 1.00 2.22 N ATOM 1328 CZ ARG A 617 -9.858 -13.968 -12.491 1.00 3.05 C ATOM 1329 NH1 ARG A 617 -10.415 -13.443 -13.542 1.00 3.66 N ATOM 1330 NH2 ARG A 617 -9.750 -15.257 -12.442 1.00 4.03 N ATOM 0 H ARG A 617 -5.677 -12.923 -10.649 1.00 2.11 H new ATOM 0 HA ARG A 617 -5.829 -10.512 -9.281 1.00 1.91 H new ATOM 0 HB2 ARG A 617 -7.701 -12.953 -9.402 1.00 2.08 H new ATOM 0 HB3 ARG A 617 -8.200 -11.401 -8.759 1.00 2.08 H new ATOM 0 HG2 ARG A 617 -7.782 -10.317 -10.936 1.00 2.46 H new ATOM 0 HG3 ARG A 617 -7.145 -11.812 -11.593 1.00 2.46 H new ATOM 0 HD2 ARG A 617 -10.016 -11.427 -10.639 1.00 2.02 H new ATOM 0 HD3 ARG A 617 -9.500 -11.331 -12.311 1.00 2.02 H new ATOM 0 HE ARG A 617 -9.096 -13.803 -10.664 1.00 2.22 H new ATOM 0 HH11 ARG A 617 -10.520 -12.431 -13.612 1.00 3.66 H new ATOM 0 HH12 ARG A 617 -10.747 -14.043 -14.297 1.00 3.66 H new ATOM 0 HH21 ARG A 617 -9.322 -15.702 -11.630 1.00 4.03 H new ATOM 0 HH22 ARG A 617 -10.093 -15.827 -13.215 1.00 4.03 H new ATOM 1344 N ARG A 618 -5.989 -10.769 -6.800 1.00 1.86 N ATOM 1345 CA ARG A 618 -6.112 -10.829 -5.329 1.00 1.94 C ATOM 1346 C ARG A 618 -7.566 -11.081 -4.881 1.00 2.05 C ATOM 1347 O ARG A 618 -8.488 -11.059 -5.701 1.00 2.59 O ATOM 1348 CB ARG A 618 -5.556 -9.538 -4.689 1.00 2.12 C ATOM 1349 CG ARG A 618 -4.064 -9.231 -4.917 1.00 3.00 C ATOM 1350 CD ARG A 618 -3.110 -10.369 -4.521 1.00 3.07 C ATOM 1351 NE ARG A 618 -2.718 -11.161 -5.699 1.00 4.53 N ATOM 1352 CZ ARG A 618 -2.326 -12.418 -5.742 1.00 5.31 C ATOM 1353 NH1 ARG A 618 -2.151 -13.174 -4.703 1.00 5.19 N ATOM 1354 NH2 ARG A 618 -2.067 -12.954 -6.890 1.00 6.81 N ATOM 0 H ARG A 618 -6.001 -9.814 -7.157 1.00 1.86 H new ATOM 0 HA ARG A 618 -5.519 -11.676 -4.984 1.00 1.94 H new ATOM 0 HB2 ARG A 618 -6.137 -8.696 -5.066 1.00 2.12 H new ATOM 0 HB3 ARG A 618 -5.731 -9.590 -3.614 1.00 2.12 H new ATOM 0 HG2 ARG A 618 -3.911 -8.996 -5.970 1.00 3.00 H new ATOM 0 HG3 ARG A 618 -3.799 -8.338 -4.350 1.00 3.00 H new ATOM 0 HD2 ARG A 618 -2.222 -9.955 -4.045 1.00 3.07 H new ATOM 0 HD3 ARG A 618 -3.593 -11.015 -3.788 1.00 3.07 H new ATOM 0 HE ARG A 618 -2.755 -10.675 -6.595 1.00 4.53 H new ATOM 0 HH11 ARG A 618 -2.319 -12.803 -3.768 1.00 5.19 H new ATOM 0 HH12 ARG A 618 -1.845 -14.140 -4.821 1.00 5.19 H new ATOM 0 HH21 ARG A 618 -2.167 -12.405 -7.744 1.00 6.81 H new ATOM 0 HH22 ARG A 618 -1.762 -13.926 -6.942 1.00 6.81 H new ATOM 1368 N THR A 619 -7.784 -11.282 -3.578 1.00 1.99 N ATOM 1369 CA THR A 619 -9.091 -11.079 -2.919 1.00 2.02 C ATOM 1370 C THR A 619 -8.952 -10.566 -1.475 1.00 1.82 C ATOM 1371 O THR A 619 -8.275 -11.174 -0.637 1.00 1.84 O ATOM 1372 CB THR A 619 -9.957 -12.349 -3.005 1.00 2.47 C ATOM 1373 OG1 THR A 619 -11.246 -12.089 -2.501 1.00 2.42 O ATOM 1374 CG2 THR A 619 -9.406 -13.573 -2.270 1.00 3.60 C ATOM 0 H THR A 619 -7.054 -11.594 -2.938 1.00 1.99 H new ATOM 0 HA THR A 619 -9.608 -10.291 -3.466 1.00 2.02 H new ATOM 0 HB THR A 619 -9.966 -12.598 -4.066 1.00 2.47 H new ATOM 0 HG1 THR A 619 -11.791 -12.901 -2.561 1.00 2.42 H new ATOM 0 HG21 THR A 619 -10.092 -14.411 -2.394 1.00 3.60 H new ATOM 0 HG22 THR A 619 -8.432 -13.837 -2.682 1.00 3.60 H new ATOM 0 HG23 THR A 619 -9.301 -13.344 -1.209 1.00 3.60 H new ATOM 1382 N ALA A 620 -9.596 -9.439 -1.165 1.00 1.75 N ATOM 1383 CA ALA A 620 -9.667 -8.824 0.163 1.00 1.61 C ATOM 1384 C ALA A 620 -11.042 -8.163 0.406 1.00 1.54 C ATOM 1385 O ALA A 620 -11.890 -8.093 -0.487 1.00 1.87 O ATOM 1386 CB ALA A 620 -8.523 -7.804 0.277 1.00 1.79 C ATOM 0 H ALA A 620 -10.107 -8.904 -1.867 1.00 1.75 H new ATOM 0 HA ALA A 620 -9.556 -9.589 0.932 1.00 1.61 H new ATOM 0 HB1 ALA A 620 -8.554 -7.331 1.259 1.00 1.79 H new ATOM 0 HB2 ALA A 620 -7.568 -8.313 0.149 1.00 1.79 H new ATOM 0 HB3 ALA A 620 -8.635 -7.044 -0.496 1.00 1.79 H new ATOM 1392 N SER A 621 -11.299 -7.683 1.626 1.00 1.42 N ATOM 1393 CA SER A 621 -12.478 -6.869 1.966 1.00 1.44 C ATOM 1394 C SER A 621 -12.209 -5.968 3.177 1.00 1.40 C ATOM 1395 O SER A 621 -12.041 -6.447 4.297 1.00 1.43 O ATOM 1396 CB SER A 621 -13.680 -7.779 2.261 1.00 1.47 C ATOM 1397 OG SER A 621 -14.202 -8.308 1.056 1.00 2.17 O ATOM 0 H SER A 621 -10.684 -7.850 2.423 1.00 1.42 H new ATOM 0 HA SER A 621 -12.699 -6.233 1.109 1.00 1.44 H new ATOM 0 HB2 SER A 621 -13.377 -8.591 2.922 1.00 1.47 H new ATOM 0 HB3 SER A 621 -14.453 -7.215 2.783 1.00 1.47 H new ATOM 0 HG SER A 621 -13.517 -8.265 0.356 1.00 2.17 H new ATOM 1403 N VAL A 622 -12.180 -4.648 2.970 1.00 1.32 N ATOM 1404 CA VAL A 622 -11.962 -3.654 4.040 1.00 1.24 C ATOM 1405 C VAL A 622 -12.665 -2.321 3.731 1.00 1.16 C ATOM 1406 O VAL A 622 -12.729 -1.900 2.572 1.00 1.14 O ATOM 1407 CB VAL A 622 -10.448 -3.520 4.335 1.00 1.24 C ATOM 1408 CG1 VAL A 622 -9.579 -3.261 3.103 1.00 1.23 C ATOM 1409 CG2 VAL A 622 -10.141 -2.458 5.389 1.00 1.17 C ATOM 0 H VAL A 622 -12.308 -4.230 2.049 1.00 1.32 H new ATOM 0 HA VAL A 622 -12.429 -4.004 4.960 1.00 1.24 H new ATOM 0 HB VAL A 622 -10.184 -4.504 4.722 1.00 1.24 H new ATOM 0 HG11 VAL A 622 -8.535 -3.181 3.405 1.00 1.23 H new ATOM 0 HG12 VAL A 622 -9.691 -4.085 2.399 1.00 1.23 H new ATOM 0 HG13 VAL A 622 -9.891 -2.332 2.627 1.00 1.23 H new ATOM 0 HG21 VAL A 622 -9.065 -2.409 5.554 1.00 1.17 H new ATOM 0 HG22 VAL A 622 -10.499 -1.488 5.044 1.00 1.17 H new ATOM 0 HG23 VAL A 622 -10.640 -2.717 6.323 1.00 1.17 H new ATOM 1419 N ARG A 623 -13.226 -1.668 4.762 1.00 1.13 N ATOM 1420 CA ARG A 623 -14.119 -0.495 4.655 1.00 1.03 C ATOM 1421 C ARG A 623 -13.831 0.606 5.678 1.00 0.86 C ATOM 1422 O ARG A 623 -13.260 0.375 6.741 1.00 0.80 O ATOM 1423 CB ARG A 623 -15.593 -0.952 4.722 1.00 1.26 C ATOM 1424 CG ARG A 623 -16.041 -1.332 6.143 1.00 1.40 C ATOM 1425 CD ARG A 623 -17.355 -2.118 6.155 1.00 1.22 C ATOM 1426 NE ARG A 623 -18.501 -1.285 5.742 1.00 1.76 N ATOM 1427 CZ ARG A 623 -19.583 -0.997 6.446 1.00 2.26 C ATOM 1428 NH1 ARG A 623 -19.764 -1.366 7.680 1.00 2.50 N ATOM 1429 NH2 ARG A 623 -20.522 -0.295 5.890 1.00 3.37 N ATOM 0 H ARG A 623 -13.066 -1.950 5.729 1.00 1.13 H new ATOM 0 HA ARG A 623 -13.919 -0.038 3.686 1.00 1.03 H new ATOM 0 HB2 ARG A 623 -16.233 -0.153 4.347 1.00 1.26 H new ATOM 0 HB3 ARG A 623 -15.732 -1.808 4.062 1.00 1.26 H new ATOM 0 HG2 ARG A 623 -15.262 -1.927 6.619 1.00 1.40 H new ATOM 0 HG3 ARG A 623 -16.158 -0.426 6.738 1.00 1.40 H new ATOM 0 HD2 ARG A 623 -17.271 -2.975 5.487 1.00 1.22 H new ATOM 0 HD3 ARG A 623 -17.534 -2.510 7.156 1.00 1.22 H new ATOM 0 HE ARG A 623 -18.453 -0.885 4.805 1.00 1.76 H new ATOM 0 HH11 ARG A 623 -19.047 -1.910 8.160 1.00 2.50 H new ATOM 0 HH12 ARG A 623 -20.623 -1.111 8.168 1.00 2.50 H new ATOM 0 HH21 ARG A 623 -20.418 0.024 4.927 1.00 3.37 H new ATOM 0 HH22 ARG A 623 -21.364 -0.062 6.416 1.00 3.37 H new ATOM 1443 N ALA A 624 -14.272 1.815 5.365 1.00 0.83 N ATOM 1444 CA ALA A 624 -14.083 3.010 6.177 1.00 0.75 C ATOM 1445 C ALA A 624 -15.015 3.028 7.401 1.00 0.85 C ATOM 1446 O ALA A 624 -16.227 2.839 7.277 1.00 1.06 O ATOM 1447 CB ALA A 624 -14.282 4.232 5.275 1.00 0.80 C ATOM 0 H ALA A 624 -14.791 1.999 4.506 1.00 0.83 H new ATOM 0 HA ALA A 624 -13.073 3.022 6.586 1.00 0.75 H new ATOM 0 HB1 ALA A 624 -14.146 5.142 5.860 1.00 0.80 H new ATOM 0 HB2 ALA A 624 -13.553 4.209 4.465 1.00 0.80 H new ATOM 0 HB3 ALA A 624 -15.289 4.216 4.858 1.00 0.80 H new ATOM 1453 N ASP A 625 -14.463 3.314 8.583 1.00 0.77 N ATOM 1454 CA ASP A 625 -15.237 3.544 9.818 1.00 0.88 C ATOM 1455 C ASP A 625 -15.710 5.002 9.940 1.00 0.96 C ATOM 1456 O ASP A 625 -16.663 5.323 10.653 1.00 1.07 O ATOM 1457 CB ASP A 625 -14.358 3.183 11.030 1.00 0.94 C ATOM 1458 CG ASP A 625 -15.046 2.138 11.899 1.00 1.55 C ATOM 1459 OD1 ASP A 625 -15.208 0.996 11.419 1.00 2.73 O ATOM 1460 OD2 ASP A 625 -15.462 2.458 13.038 1.00 2.02 O ATOM 0 H ASP A 625 -13.455 3.395 8.717 1.00 0.77 H new ATOM 0 HA ASP A 625 -16.126 2.914 9.785 1.00 0.88 H new ATOM 0 HB2 ASP A 625 -13.396 2.803 10.688 1.00 0.94 H new ATOM 0 HB3 ASP A 625 -14.156 4.078 11.619 1.00 0.94 H new ATOM 1465 N THR A 626 -14.985 5.882 9.253 1.00 0.92 N ATOM 1466 CA THR A 626 -15.023 7.345 9.363 1.00 0.95 C ATOM 1467 C THR A 626 -14.432 7.971 8.085 1.00 0.84 C ATOM 1468 O THR A 626 -13.794 7.266 7.302 1.00 0.75 O ATOM 1469 CB THR A 626 -14.251 7.756 10.631 1.00 1.04 C ATOM 1470 OG1 THR A 626 -14.410 9.124 10.908 1.00 1.27 O ATOM 1471 CG2 THR A 626 -12.765 7.415 10.579 1.00 0.92 C ATOM 0 H THR A 626 -14.307 5.574 8.556 1.00 0.92 H new ATOM 0 HA THR A 626 -16.046 7.709 9.454 1.00 0.95 H new ATOM 0 HB THR A 626 -14.690 7.166 11.436 1.00 1.04 H new ATOM 0 HG1 THR A 626 -13.910 9.354 11.719 1.00 1.27 H new ATOM 0 HG21 THR A 626 -12.286 7.733 11.505 1.00 0.92 H new ATOM 0 HG22 THR A 626 -12.643 6.339 10.459 1.00 0.92 H new ATOM 0 HG23 THR A 626 -12.303 7.929 9.736 1.00 0.92 H new ATOM 1479 N TYR A 627 -14.613 9.274 7.853 1.00 0.98 N ATOM 1480 CA TYR A 627 -14.057 10.002 6.697 1.00 1.00 C ATOM 1481 C TYR A 627 -12.523 10.005 6.800 1.00 0.89 C ATOM 1482 O TYR A 627 -11.945 10.674 7.663 1.00 1.10 O ATOM 1483 CB TYR A 627 -14.711 11.397 6.658 1.00 1.33 C ATOM 1484 CG TYR A 627 -14.189 12.529 5.778 1.00 1.64 C ATOM 1485 CD1 TYR A 627 -13.230 12.364 4.754 1.00 2.25 C ATOM 1486 CD2 TYR A 627 -14.697 13.816 6.048 1.00 2.81 C ATOM 1487 CE1 TYR A 627 -12.740 13.499 4.066 1.00 2.49 C ATOM 1488 CE2 TYR A 627 -14.238 14.941 5.339 1.00 3.20 C ATOM 1489 CZ TYR A 627 -13.246 14.784 4.353 1.00 2.48 C ATOM 1490 OH TYR A 627 -12.777 15.863 3.674 1.00 2.93 O ATOM 0 H TYR A 627 -15.161 9.870 8.474 1.00 0.98 H new ATOM 0 HA TYR A 627 -14.284 9.524 5.744 1.00 1.00 H new ATOM 0 HB2 TYR A 627 -15.754 11.243 6.381 1.00 1.33 H new ATOM 0 HB3 TYR A 627 -14.705 11.771 7.682 1.00 1.33 H new ATOM 0 HD1 TYR A 627 -12.873 11.377 4.498 1.00 2.25 H new ATOM 0 HD2 TYR A 627 -15.451 13.940 6.811 1.00 2.81 H new ATOM 0 HE1 TYR A 627 -11.973 13.381 3.315 1.00 2.49 H new ATOM 0 HE2 TYR A 627 -14.644 15.919 5.550 1.00 3.20 H new ATOM 0 HH TYR A 627 -13.230 16.672 3.992 1.00 2.93 H new ATOM 1500 N CYS A 628 -11.881 9.201 5.947 1.00 0.71 N ATOM 1501 CA CYS A 628 -10.479 8.798 6.046 1.00 0.70 C ATOM 1502 C CYS A 628 -9.673 9.245 4.817 1.00 0.69 C ATOM 1503 O CYS A 628 -10.097 9.049 3.674 1.00 0.68 O ATOM 1504 CB CYS A 628 -10.421 7.271 6.242 1.00 0.62 C ATOM 1505 SG CYS A 628 -8.754 6.727 6.696 1.00 2.50 S ATOM 0 H CYS A 628 -12.346 8.797 5.134 1.00 0.71 H new ATOM 0 HA CYS A 628 -10.020 9.290 6.904 1.00 0.70 H new ATOM 0 HB2 CYS A 628 -11.126 6.975 7.019 1.00 0.62 H new ATOM 0 HB3 CYS A 628 -10.731 6.773 5.323 1.00 0.62 H new ATOM 0 HG CYS A 628 -8.747 5.437 6.854 1.00 2.50 H new ATOM 1511 N ARG A 629 -8.488 9.807 5.071 1.00 0.73 N ATOM 1512 CA ARG A 629 -7.443 10.126 4.090 1.00 0.69 C ATOM 1513 C ARG A 629 -6.523 8.906 3.949 1.00 0.73 C ATOM 1514 O ARG A 629 -5.937 8.445 4.934 1.00 0.88 O ATOM 1515 CB ARG A 629 -6.628 11.348 4.581 1.00 0.79 C ATOM 1516 CG ARG A 629 -7.411 12.631 4.931 1.00 1.58 C ATOM 1517 CD ARG A 629 -7.797 13.441 3.692 1.00 1.52 C ATOM 1518 NE ARG A 629 -8.556 14.659 4.036 1.00 2.92 N ATOM 1519 CZ ARG A 629 -8.583 15.809 3.385 1.00 3.55 C ATOM 1520 NH1 ARG A 629 -7.745 16.089 2.431 1.00 3.38 N ATOM 1521 NH2 ARG A 629 -9.469 16.720 3.668 1.00 5.12 N ATOM 0 H ARG A 629 -8.215 10.067 6.019 1.00 0.73 H new ATOM 0 HA ARG A 629 -7.890 10.367 3.126 1.00 0.69 H new ATOM 0 HB2 ARG A 629 -6.066 11.045 5.465 1.00 0.79 H new ATOM 0 HB3 ARG A 629 -5.899 11.598 3.810 1.00 0.79 H new ATOM 0 HG2 ARG A 629 -8.313 12.363 5.481 1.00 1.58 H new ATOM 0 HG3 ARG A 629 -6.807 13.252 5.593 1.00 1.58 H new ATOM 0 HD2 ARG A 629 -6.895 13.719 3.146 1.00 1.52 H new ATOM 0 HD3 ARG A 629 -8.394 12.819 3.025 1.00 1.52 H new ATOM 0 HE ARG A 629 -9.129 14.607 4.878 1.00 2.92 H new ATOM 0 HH11 ARG A 629 -7.034 15.409 2.161 1.00 3.38 H new ATOM 0 HH12 ARG A 629 -7.799 16.988 1.953 1.00 3.38 H new ATOM 0 HH21 ARG A 629 -10.157 16.552 4.402 1.00 5.12 H new ATOM 0 HH22 ARG A 629 -9.475 17.602 3.156 1.00 5.12 H new ATOM 1535 N LEU A 630 -6.365 8.411 2.728 1.00 0.67 N ATOM 1536 CA LEU A 630 -5.415 7.367 2.335 1.00 0.73 C ATOM 1537 C LEU A 630 -4.335 7.924 1.392 1.00 0.88 C ATOM 1538 O LEU A 630 -4.472 9.005 0.819 1.00 0.98 O ATOM 1539 CB LEU A 630 -6.167 6.187 1.679 1.00 0.68 C ATOM 1540 CG LEU A 630 -7.242 5.498 2.541 1.00 0.65 C ATOM 1541 CD1 LEU A 630 -7.755 4.247 1.827 1.00 0.72 C ATOM 1542 CD2 LEU A 630 -6.716 5.046 3.900 1.00 0.73 C ATOM 0 H LEU A 630 -6.923 8.741 1.941 1.00 0.67 H new ATOM 0 HA LEU A 630 -4.911 7.005 3.231 1.00 0.73 H new ATOM 0 HB2 LEU A 630 -6.641 6.548 0.766 1.00 0.68 H new ATOM 0 HB3 LEU A 630 -5.434 5.437 1.382 1.00 0.68 H new ATOM 0 HG LEU A 630 -8.027 6.239 2.692 1.00 0.65 H new ATOM 0 HD11 LEU A 630 -8.515 3.764 2.441 1.00 0.72 H new ATOM 0 HD12 LEU A 630 -8.189 4.528 0.867 1.00 0.72 H new ATOM 0 HD13 LEU A 630 -6.928 3.556 1.663 1.00 0.72 H new ATOM 0 HD21 LEU A 630 -7.519 4.568 4.461 1.00 0.73 H new ATOM 0 HD22 LEU A 630 -5.901 4.336 3.757 1.00 0.73 H new ATOM 0 HD23 LEU A 630 -6.351 5.910 4.455 1.00 0.73 H new ATOM 1554 N TYR A 631 -3.267 7.158 1.200 1.00 0.92 N ATOM 1555 CA TYR A 631 -2.236 7.389 0.191 1.00 1.00 C ATOM 1556 C TYR A 631 -2.090 6.142 -0.684 1.00 1.09 C ATOM 1557 O TYR A 631 -2.144 5.022 -0.165 1.00 1.41 O ATOM 1558 CB TYR A 631 -0.919 7.771 0.876 1.00 1.19 C ATOM 1559 CG TYR A 631 -0.473 9.191 0.606 1.00 2.54 C ATOM 1560 CD1 TYR A 631 0.081 9.524 -0.641 1.00 3.54 C ATOM 1561 CD2 TYR A 631 -0.602 10.171 1.605 1.00 4.03 C ATOM 1562 CE1 TYR A 631 0.495 10.851 -0.896 1.00 5.21 C ATOM 1563 CE2 TYR A 631 -0.184 11.492 1.362 1.00 5.56 C ATOM 1564 CZ TYR A 631 0.361 11.838 0.107 1.00 5.98 C ATOM 1565 OH TYR A 631 0.762 13.118 -0.124 1.00 7.71 O ATOM 0 H TYR A 631 -3.087 6.327 1.764 1.00 0.92 H new ATOM 0 HA TYR A 631 -2.521 8.218 -0.457 1.00 1.00 H new ATOM 0 HB2 TYR A 631 -1.028 7.634 1.952 1.00 1.19 H new ATOM 0 HB3 TYR A 631 -0.138 7.087 0.545 1.00 1.19 H new ATOM 0 HD1 TYR A 631 0.190 8.767 -1.404 1.00 3.54 H new ATOM 0 HD2 TYR A 631 -1.024 9.909 2.564 1.00 4.03 H new ATOM 0 HE1 TYR A 631 0.914 11.111 -1.857 1.00 5.21 H new ATOM 0 HE2 TYR A 631 -0.280 12.240 2.135 1.00 5.56 H new ATOM 0 HH TYR A 631 0.595 13.662 0.674 1.00 7.71 H new ATOM 1575 N SER A 632 -1.907 6.337 -1.993 1.00 0.97 N ATOM 1576 CA SER A 632 -1.982 5.256 -2.978 1.00 1.00 C ATOM 1577 C SER A 632 -0.797 5.292 -3.941 1.00 0.93 C ATOM 1578 O SER A 632 -0.548 6.292 -4.617 1.00 0.95 O ATOM 1579 CB SER A 632 -3.310 5.325 -3.741 1.00 1.20 C ATOM 1580 OG SER A 632 -4.407 5.149 -2.862 1.00 2.57 O ATOM 0 H SER A 632 -1.703 7.250 -2.399 1.00 0.97 H new ATOM 0 HA SER A 632 -1.936 4.308 -2.443 1.00 1.00 H new ATOM 0 HB2 SER A 632 -3.394 6.287 -4.246 1.00 1.20 H new ATOM 0 HB3 SER A 632 -3.331 4.556 -4.514 1.00 1.20 H new ATOM 0 HG SER A 632 -5.228 5.458 -3.298 1.00 2.57 H new ATOM 1586 N LEU A 633 -0.055 4.184 -3.998 1.00 0.95 N ATOM 1587 CA LEU A 633 1.221 4.050 -4.702 1.00 0.98 C ATOM 1588 C LEU A 633 1.089 2.952 -5.759 1.00 0.93 C ATOM 1589 O LEU A 633 0.951 1.768 -5.440 1.00 0.89 O ATOM 1590 CB LEU A 633 2.314 3.773 -3.644 1.00 1.01 C ATOM 1591 CG LEU A 633 3.770 4.103 -4.035 1.00 1.14 C ATOM 1592 CD1 LEU A 633 4.674 3.782 -2.844 1.00 1.40 C ATOM 1593 CD2 LEU A 633 4.274 3.322 -5.248 1.00 1.45 C ATOM 0 H LEU A 633 -0.339 3.320 -3.536 1.00 0.95 H new ATOM 0 HA LEU A 633 1.504 4.957 -5.236 1.00 0.98 H new ATOM 0 HB2 LEU A 633 2.068 4.340 -2.747 1.00 1.01 H new ATOM 0 HB3 LEU A 633 2.266 2.717 -3.377 1.00 1.01 H new ATOM 0 HG LEU A 633 3.795 5.159 -4.304 1.00 1.14 H new ATOM 0 HD11 LEU A 633 5.709 4.009 -3.101 1.00 1.40 H new ATOM 0 HD12 LEU A 633 4.373 4.383 -1.986 1.00 1.40 H new ATOM 0 HD13 LEU A 633 4.586 2.725 -2.595 1.00 1.40 H new ATOM 0 HD21 LEU A 633 5.304 3.607 -5.462 1.00 1.45 H new ATOM 0 HD22 LEU A 633 4.230 2.254 -5.037 1.00 1.45 H new ATOM 0 HD23 LEU A 633 3.648 3.547 -6.111 1.00 1.45 H new ATOM 1605 N SER A 634 1.109 3.358 -7.028 1.00 1.08 N ATOM 1606 CA SER A 634 1.053 2.439 -8.162 1.00 1.14 C ATOM 1607 C SER A 634 2.234 1.470 -8.144 1.00 1.07 C ATOM 1608 O SER A 634 3.398 1.872 -8.206 1.00 0.92 O ATOM 1609 CB SER A 634 0.961 3.208 -9.479 1.00 1.28 C ATOM 1610 OG SER A 634 1.831 4.320 -9.535 1.00 2.77 O ATOM 0 H SER A 634 1.165 4.340 -7.299 1.00 1.08 H new ATOM 0 HA SER A 634 0.148 1.839 -8.073 1.00 1.14 H new ATOM 0 HB2 SER A 634 1.191 2.533 -10.303 1.00 1.28 H new ATOM 0 HB3 SER A 634 -0.064 3.549 -9.623 1.00 1.28 H new ATOM 0 HG SER A 634 2.190 4.409 -10.443 1.00 2.77 H new ATOM 1616 N VAL A 635 1.920 0.173 -8.073 1.00 1.30 N ATOM 1617 CA VAL A 635 2.905 -0.910 -7.974 1.00 1.45 C ATOM 1618 C VAL A 635 3.965 -0.815 -9.057 1.00 1.41 C ATOM 1619 O VAL A 635 5.154 -1.040 -8.835 1.00 1.59 O ATOM 1620 CB VAL A 635 2.209 -2.280 -8.003 1.00 1.67 C ATOM 1621 CG1 VAL A 635 2.113 -2.954 -9.364 1.00 1.54 C ATOM 1622 CG2 VAL A 635 3.125 -3.240 -7.304 1.00 2.58 C ATOM 0 H VAL A 635 0.956 -0.161 -8.083 1.00 1.30 H new ATOM 0 HA VAL A 635 3.415 -0.801 -7.017 1.00 1.45 H new ATOM 0 HB VAL A 635 1.216 -2.090 -7.597 1.00 1.67 H new ATOM 0 HG11 VAL A 635 1.604 -3.912 -9.260 1.00 1.54 H new ATOM 0 HG12 VAL A 635 1.552 -2.316 -10.047 1.00 1.54 H new ATOM 0 HG13 VAL A 635 3.115 -3.117 -9.761 1.00 1.54 H new ATOM 0 HG21 VAL A 635 2.675 -4.233 -7.297 1.00 2.58 H new ATOM 0 HG22 VAL A 635 4.080 -3.278 -7.828 1.00 2.58 H new ATOM 0 HG23 VAL A 635 3.286 -2.908 -6.279 1.00 2.58 H new ATOM 1632 N ASP A 636 3.527 -0.473 -10.258 1.00 1.23 N ATOM 1633 CA ASP A 636 4.397 -0.597 -11.407 1.00 1.36 C ATOM 1634 C ASP A 636 5.486 0.497 -11.384 1.00 1.21 C ATOM 1635 O ASP A 636 6.594 0.294 -11.885 1.00 1.42 O ATOM 1636 CB ASP A 636 3.569 -0.490 -12.694 1.00 1.41 C ATOM 1637 CG ASP A 636 2.489 -1.561 -12.849 1.00 1.81 C ATOM 1638 OD1 ASP A 636 2.836 -2.756 -12.997 1.00 2.66 O ATOM 1639 OD2 ASP A 636 1.284 -1.209 -12.857 1.00 2.08 O ATOM 0 H ASP A 636 2.593 -0.115 -10.457 1.00 1.23 H new ATOM 0 HA ASP A 636 4.888 -1.570 -11.374 1.00 1.36 H new ATOM 0 HB2 ASP A 636 3.096 0.491 -12.725 1.00 1.41 H new ATOM 0 HB3 ASP A 636 4.243 -0.546 -13.549 1.00 1.41 H new ATOM 1644 N ASN A 637 5.182 1.636 -10.744 1.00 0.95 N ATOM 1645 CA ASN A 637 6.075 2.776 -10.543 1.00 0.85 C ATOM 1646 C ASN A 637 7.079 2.568 -9.388 1.00 0.89 C ATOM 1647 O ASN A 637 8.092 3.263 -9.349 1.00 1.12 O ATOM 1648 CB ASN A 637 5.237 4.049 -10.364 1.00 0.90 C ATOM 1649 CG ASN A 637 4.458 4.367 -11.622 1.00 1.36 C ATOM 1650 OD1 ASN A 637 3.285 4.037 -11.747 1.00 2.45 O ATOM 1651 ND2 ASN A 637 5.081 4.980 -12.595 1.00 1.18 N ATOM 0 H ASN A 637 4.261 1.790 -10.334 1.00 0.95 H new ATOM 0 HA ASN A 637 6.696 2.880 -11.433 1.00 0.85 H new ATOM 0 HB2 ASN A 637 4.549 3.921 -9.528 1.00 0.90 H new ATOM 0 HB3 ASN A 637 5.889 4.886 -10.115 1.00 0.90 H new ATOM 0 HD21 ASN A 637 4.590 5.186 -13.465 1.00 1.18 H new ATOM 0 HD22 ASN A 637 6.058 5.252 -12.484 1.00 1.18 H new ATOM 1658 N PHE A 638 6.835 1.609 -8.483 1.00 0.83 N ATOM 1659 CA PHE A 638 7.810 1.016 -7.550 1.00 0.85 C ATOM 1660 C PHE A 638 8.795 0.125 -8.330 1.00 0.87 C ATOM 1661 O PHE A 638 10.014 0.248 -8.200 1.00 0.81 O ATOM 1662 CB PHE A 638 7.038 0.239 -6.472 1.00 1.04 C ATOM 1663 CG PHE A 638 7.796 -0.304 -5.266 1.00 1.10 C ATOM 1664 CD1 PHE A 638 8.910 -1.159 -5.404 1.00 1.90 C ATOM 1665 CD2 PHE A 638 7.306 -0.033 -3.973 1.00 2.50 C ATOM 1666 CE1 PHE A 638 9.558 -1.680 -4.270 1.00 2.00 C ATOM 1667 CE2 PHE A 638 7.955 -0.552 -2.837 1.00 2.57 C ATOM 1668 CZ PHE A 638 9.094 -1.361 -2.985 1.00 1.40 C ATOM 0 H PHE A 638 5.905 1.204 -8.375 1.00 0.83 H new ATOM 0 HA PHE A 638 8.402 1.786 -7.055 1.00 0.85 H new ATOM 0 HB2 PHE A 638 6.249 0.891 -6.098 1.00 1.04 H new ATOM 0 HB3 PHE A 638 6.550 -0.604 -6.961 1.00 1.04 H new ATOM 0 HD1 PHE A 638 9.268 -1.416 -6.390 1.00 1.90 H new ATOM 0 HD2 PHE A 638 6.424 0.579 -3.852 1.00 2.50 H new ATOM 0 HE1 PHE A 638 10.415 -2.327 -4.388 1.00 2.00 H new ATOM 0 HE2 PHE A 638 7.577 -0.328 -1.850 1.00 2.57 H new ATOM 0 HZ PHE A 638 9.610 -1.736 -2.113 1.00 1.40 H new ATOM 1678 N ASN A 639 8.284 -0.731 -9.218 1.00 1.00 N ATOM 1679 CA ASN A 639 9.117 -1.566 -10.090 1.00 1.07 C ATOM 1680 C ASN A 639 9.985 -0.738 -11.072 1.00 1.04 C ATOM 1681 O ASN A 639 11.076 -1.174 -11.436 1.00 1.14 O ATOM 1682 CB ASN A 639 8.206 -2.587 -10.795 1.00 1.19 C ATOM 1683 CG ASN A 639 7.768 -3.729 -9.895 1.00 1.52 C ATOM 1684 OD1 ASN A 639 8.546 -4.307 -9.157 1.00 2.17 O ATOM 1685 ND2 ASN A 639 6.520 -4.123 -9.948 1.00 1.39 N ATOM 0 H ASN A 639 7.282 -0.866 -9.354 1.00 1.00 H new ATOM 0 HA ASN A 639 9.848 -2.102 -9.485 1.00 1.07 H new ATOM 0 HB2 ASN A 639 7.322 -2.073 -11.173 1.00 1.19 H new ATOM 0 HB3 ASN A 639 8.731 -2.996 -11.658 1.00 1.19 H new ATOM 0 HD21 ASN A 639 6.208 -4.907 -9.375 1.00 1.39 H new ATOM 0 HD22 ASN A 639 5.860 -3.646 -10.563 1.00 1.39 H new ATOM 1692 N GLU A 640 9.561 0.475 -11.438 1.00 0.96 N ATOM 1693 CA GLU A 640 10.339 1.447 -12.230 1.00 0.98 C ATOM 1694 C GLU A 640 11.538 2.078 -11.503 1.00 0.90 C ATOM 1695 O GLU A 640 12.486 2.528 -12.153 1.00 1.04 O ATOM 1696 CB GLU A 640 9.410 2.606 -12.631 1.00 1.03 C ATOM 1697 CG GLU A 640 8.789 2.454 -14.022 1.00 1.53 C ATOM 1698 CD GLU A 640 9.861 2.506 -15.114 1.00 2.10 C ATOM 1699 OE1 GLU A 640 10.493 3.570 -15.317 1.00 2.71 O ATOM 1700 OE2 GLU A 640 10.135 1.471 -15.763 1.00 3.11 O ATOM 0 H GLU A 640 8.637 0.824 -11.185 1.00 0.96 H new ATOM 0 HA GLU A 640 10.734 0.879 -13.072 1.00 0.98 H new ATOM 0 HB2 GLU A 640 8.611 2.689 -11.895 1.00 1.03 H new ATOM 0 HB3 GLU A 640 9.973 3.538 -12.596 1.00 1.03 H new ATOM 0 HG2 GLU A 640 8.251 1.508 -14.082 1.00 1.53 H new ATOM 0 HG3 GLU A 640 8.059 3.247 -14.186 1.00 1.53 H new ATOM 1707 N VAL A 641 11.465 2.208 -10.178 1.00 0.84 N ATOM 1708 CA VAL A 641 12.514 2.801 -9.325 1.00 0.81 C ATOM 1709 C VAL A 641 13.467 1.756 -8.751 1.00 0.86 C ATOM 1710 O VAL A 641 14.642 2.053 -8.551 1.00 0.90 O ATOM 1711 CB VAL A 641 11.883 3.741 -8.289 1.00 0.70 C ATOM 1712 CG1 VAL A 641 10.820 3.080 -7.426 1.00 0.71 C ATOM 1713 CG2 VAL A 641 12.898 4.433 -7.378 1.00 0.67 C ATOM 0 H VAL A 641 10.653 1.896 -9.646 1.00 0.84 H new ATOM 0 HA VAL A 641 13.164 3.420 -9.944 1.00 0.81 H new ATOM 0 HB VAL A 641 11.405 4.498 -8.910 1.00 0.70 H new ATOM 0 HG11 VAL A 641 10.421 3.807 -6.719 1.00 0.71 H new ATOM 0 HG12 VAL A 641 10.014 2.711 -8.060 1.00 0.71 H new ATOM 0 HG13 VAL A 641 11.262 2.247 -6.879 1.00 0.71 H new ATOM 0 HG21 VAL A 641 12.374 5.080 -6.674 1.00 0.67 H new ATOM 0 HG22 VAL A 641 13.464 3.682 -6.828 1.00 0.67 H new ATOM 0 HG23 VAL A 641 13.580 5.031 -7.982 1.00 0.67 H new ATOM 1723 N LEU A 642 13.015 0.507 -8.602 1.00 0.88 N ATOM 1724 CA LEU A 642 13.896 -0.652 -8.354 1.00 0.94 C ATOM 1725 C LEU A 642 15.060 -0.726 -9.357 1.00 1.00 C ATOM 1726 O LEU A 642 16.197 -0.992 -8.980 1.00 1.01 O ATOM 1727 CB LEU A 642 13.090 -1.967 -8.442 1.00 0.97 C ATOM 1728 CG LEU A 642 12.307 -2.368 -7.182 1.00 1.22 C ATOM 1729 CD1 LEU A 642 11.591 -3.698 -7.424 1.00 1.50 C ATOM 1730 CD2 LEU A 642 13.235 -2.587 -5.990 1.00 1.96 C ATOM 0 H LEU A 642 12.025 0.264 -8.649 1.00 0.88 H new ATOM 0 HA LEU A 642 14.309 -0.521 -7.354 1.00 0.94 H new ATOM 0 HB2 LEU A 642 12.387 -1.883 -9.270 1.00 0.97 H new ATOM 0 HB3 LEU A 642 13.778 -2.775 -8.689 1.00 0.97 H new ATOM 0 HG LEU A 642 11.608 -1.559 -6.970 1.00 1.22 H new ATOM 0 HD11 LEU A 642 11.036 -3.981 -6.529 1.00 1.50 H new ATOM 0 HD12 LEU A 642 10.901 -3.593 -8.261 1.00 1.50 H new ATOM 0 HD13 LEU A 642 12.325 -4.470 -7.655 1.00 1.50 H new ATOM 0 HD21 LEU A 642 12.646 -2.869 -5.117 1.00 1.96 H new ATOM 0 HD22 LEU A 642 13.944 -3.382 -6.222 1.00 1.96 H new ATOM 0 HD23 LEU A 642 13.779 -1.666 -5.778 1.00 1.96 H new ATOM 1742 N GLU A 643 14.784 -0.447 -10.629 1.00 1.12 N ATOM 1743 CA GLU A 643 15.772 -0.476 -11.714 1.00 1.23 C ATOM 1744 C GLU A 643 16.862 0.610 -11.598 1.00 1.15 C ATOM 1745 O GLU A 643 17.920 0.459 -12.205 1.00 1.22 O ATOM 1746 CB GLU A 643 15.029 -0.345 -13.053 1.00 1.45 C ATOM 1747 CG GLU A 643 14.053 -1.499 -13.328 1.00 2.05 C ATOM 1748 CD GLU A 643 14.636 -2.582 -14.247 1.00 2.61 C ATOM 1749 OE1 GLU A 643 14.679 -2.369 -15.482 1.00 2.89 O ATOM 1750 OE2 GLU A 643 14.981 -3.689 -13.764 1.00 3.70 O ATOM 0 H GLU A 643 13.849 -0.189 -10.945 1.00 1.12 H new ATOM 0 HA GLU A 643 16.301 -1.427 -11.647 1.00 1.23 H new ATOM 0 HB2 GLU A 643 14.479 0.596 -13.064 1.00 1.45 H new ATOM 0 HB3 GLU A 643 15.759 -0.297 -13.861 1.00 1.45 H new ATOM 0 HG2 GLU A 643 13.763 -1.954 -12.381 1.00 2.05 H new ATOM 0 HG3 GLU A 643 13.146 -1.098 -13.780 1.00 2.05 H new ATOM 1757 N GLU A 644 16.660 1.685 -10.821 1.00 1.05 N ATOM 1758 CA GLU A 644 17.685 2.715 -10.574 1.00 1.06 C ATOM 1759 C GLU A 644 18.706 2.299 -9.499 1.00 1.02 C ATOM 1760 O GLU A 644 19.799 2.866 -9.418 1.00 1.11 O ATOM 1761 CB GLU A 644 16.992 4.007 -10.144 1.00 1.02 C ATOM 1762 CG GLU A 644 16.158 4.635 -11.263 1.00 1.09 C ATOM 1763 CD GLU A 644 16.820 5.885 -11.857 1.00 1.26 C ATOM 1764 OE1 GLU A 644 17.877 5.768 -12.526 1.00 2.25 O ATOM 1765 OE2 GLU A 644 16.282 7.004 -11.664 1.00 2.15 O ATOM 0 H GLU A 644 15.777 1.867 -10.343 1.00 1.05 H new ATOM 0 HA GLU A 644 18.240 2.856 -11.501 1.00 1.06 H new ATOM 0 HB2 GLU A 644 16.348 3.801 -9.289 1.00 1.02 H new ATOM 0 HB3 GLU A 644 17.743 4.723 -9.812 1.00 1.02 H new ATOM 0 HG2 GLU A 644 16.003 3.900 -12.053 1.00 1.09 H new ATOM 0 HG3 GLU A 644 15.174 4.898 -10.875 1.00 1.09 H new ATOM 1772 N TYR A 645 18.341 1.307 -8.686 1.00 0.93 N ATOM 1773 CA TYR A 645 19.117 0.735 -7.580 1.00 0.95 C ATOM 1774 C TYR A 645 19.094 -0.801 -7.697 1.00 1.04 C ATOM 1775 O TYR A 645 18.537 -1.478 -6.826 1.00 0.98 O ATOM 1776 CB TYR A 645 18.554 1.239 -6.235 1.00 0.85 C ATOM 1777 CG TYR A 645 18.437 2.748 -6.144 1.00 0.84 C ATOM 1778 CD1 TYR A 645 17.312 3.381 -6.701 1.00 1.90 C ATOM 1779 CD2 TYR A 645 19.459 3.518 -5.561 1.00 1.90 C ATOM 1780 CE1 TYR A 645 17.230 4.781 -6.747 1.00 1.93 C ATOM 1781 CE2 TYR A 645 19.366 4.924 -5.574 1.00 1.95 C ATOM 1782 CZ TYR A 645 18.269 5.560 -6.196 1.00 0.98 C ATOM 1783 OH TYR A 645 18.236 6.915 -6.306 1.00 1.13 O ATOM 0 H TYR A 645 17.435 0.850 -8.788 1.00 0.93 H new ATOM 0 HA TYR A 645 20.158 1.056 -7.628 1.00 0.95 H new ATOM 0 HB2 TYR A 645 17.570 0.798 -6.076 1.00 0.85 H new ATOM 0 HB3 TYR A 645 19.196 0.885 -5.428 1.00 0.85 H new ATOM 0 HD1 TYR A 645 16.504 2.784 -7.097 1.00 1.90 H new ATOM 0 HD2 TYR A 645 20.311 3.034 -5.106 1.00 1.90 H new ATOM 0 HE1 TYR A 645 16.376 5.260 -7.202 1.00 1.93 H new ATOM 0 HE2 TYR A 645 20.137 5.518 -5.106 1.00 1.95 H new ATOM 0 HH TYR A 645 19.027 7.298 -5.871 1.00 1.13 H new ATOM 1793 N PRO A 646 19.618 -1.376 -8.801 1.00 1.33 N ATOM 1794 CA PRO A 646 19.319 -2.743 -9.233 1.00 1.66 C ATOM 1795 C PRO A 646 19.715 -3.861 -8.256 1.00 1.73 C ATOM 1796 O PRO A 646 19.236 -4.985 -8.433 1.00 1.88 O ATOM 1797 CB PRO A 646 19.994 -2.904 -10.601 1.00 2.14 C ATOM 1798 CG PRO A 646 21.102 -1.853 -10.585 1.00 2.03 C ATOM 1799 CD PRO A 646 20.450 -0.721 -9.800 1.00 1.49 C ATOM 0 HA PRO A 646 18.237 -2.864 -9.280 1.00 1.66 H new ATOM 0 HB2 PRO A 646 20.397 -3.908 -10.733 1.00 2.14 H new ATOM 0 HB3 PRO A 646 19.292 -2.733 -11.417 1.00 2.14 H new ATOM 0 HG2 PRO A 646 22.006 -2.220 -10.098 1.00 2.03 H new ATOM 0 HG3 PRO A 646 21.385 -1.542 -11.591 1.00 2.03 H new ATOM 0 HD2 PRO A 646 21.200 -0.085 -9.331 1.00 1.49 H new ATOM 0 HD3 PRO A 646 19.853 -0.083 -10.452 1.00 1.49 H new ATOM 1807 N MET A 647 20.480 -3.595 -7.187 1.00 1.72 N ATOM 1808 CA MET A 647 20.615 -4.562 -6.085 1.00 1.89 C ATOM 1809 C MET A 647 19.239 -4.907 -5.465 1.00 1.81 C ATOM 1810 O MET A 647 18.997 -6.035 -5.045 1.00 1.90 O ATOM 1811 CB MET A 647 21.599 -4.033 -5.023 1.00 1.98 C ATOM 1812 CG MET A 647 20.945 -2.911 -4.222 1.00 2.04 C ATOM 1813 SD MET A 647 21.923 -2.034 -2.990 1.00 2.00 S ATOM 1814 CE MET A 647 20.490 -1.241 -2.216 1.00 1.55 C ATOM 0 H MET A 647 21.008 -2.731 -7.061 1.00 1.72 H new ATOM 0 HA MET A 647 21.023 -5.488 -6.491 1.00 1.89 H new ATOM 0 HB2 MET A 647 21.897 -4.842 -4.356 1.00 1.98 H new ATOM 0 HB3 MET A 647 22.506 -3.667 -5.505 1.00 1.98 H new ATOM 0 HG2 MET A 647 20.572 -2.173 -4.933 1.00 2.04 H new ATOM 0 HG3 MET A 647 20.077 -3.332 -3.715 1.00 2.04 H new ATOM 0 HE1 MET A 647 20.824 -0.614 -1.389 1.00 1.55 H new ATOM 0 HE2 MET A 647 19.973 -0.626 -2.952 1.00 1.55 H new ATOM 0 HE3 MET A 647 19.810 -2.005 -1.840 1.00 1.55 H new ATOM 1824 N MET A 648 18.308 -3.946 -5.439 1.00 1.68 N ATOM 1825 CA MET A 648 17.030 -4.065 -4.737 1.00 1.49 C ATOM 1826 C MET A 648 16.084 -5.047 -5.445 1.00 1.55 C ATOM 1827 O MET A 648 15.342 -5.758 -4.770 1.00 1.47 O ATOM 1828 CB MET A 648 16.398 -2.671 -4.562 1.00 1.42 C ATOM 1829 CG MET A 648 17.223 -1.677 -3.730 1.00 1.41 C ATOM 1830 SD MET A 648 16.813 -1.517 -1.964 1.00 1.35 S ATOM 1831 CE MET A 648 17.132 -3.187 -1.327 1.00 1.91 C ATOM 0 H MET A 648 18.426 -3.051 -5.913 1.00 1.68 H new ATOM 0 HA MET A 648 17.213 -4.481 -3.746 1.00 1.49 H new ATOM 0 HB2 MET A 648 16.228 -2.241 -5.549 1.00 1.42 H new ATOM 0 HB3 MET A 648 15.421 -2.789 -4.093 1.00 1.42 H new ATOM 0 HG2 MET A 648 18.272 -1.963 -3.807 1.00 1.41 H new ATOM 0 HG3 MET A 648 17.126 -0.693 -4.188 1.00 1.41 H new ATOM 0 HE1 MET A 648 17.250 -3.147 -0.244 1.00 1.91 H new ATOM 0 HE2 MET A 648 16.294 -3.838 -1.577 1.00 1.91 H new ATOM 0 HE3 MET A 648 18.044 -3.580 -1.777 1.00 1.91 H new ATOM 1841 N ARG A 649 16.155 -5.178 -6.783 1.00 1.78 N ATOM 1842 CA ARG A 649 15.426 -6.217 -7.543 1.00 1.96 C ATOM 1843 C ARG A 649 15.772 -7.605 -7.011 1.00 1.95 C ATOM 1844 O ARG A 649 14.891 -8.307 -6.514 1.00 1.96 O ATOM 1845 CB ARG A 649 15.697 -6.077 -9.057 1.00 2.25 C ATOM 1846 CG ARG A 649 15.354 -7.307 -9.930 1.00 2.68 C ATOM 1847 CD ARG A 649 13.935 -7.887 -9.787 1.00 3.18 C ATOM 1848 NE ARG A 649 12.914 -6.961 -10.306 1.00 4.02 N ATOM 1849 CZ ARG A 649 11.618 -7.169 -10.459 1.00 5.41 C ATOM 1850 NH1 ARG A 649 11.025 -8.294 -10.175 1.00 6.09 N ATOM 1851 NH2 ARG A 649 10.853 -6.231 -10.931 1.00 6.58 N ATOM 0 H ARG A 649 16.720 -4.566 -7.371 1.00 1.78 H new ATOM 0 HA ARG A 649 14.354 -6.078 -7.402 1.00 1.96 H new ATOM 0 HB2 ARG A 649 15.129 -5.224 -9.429 1.00 2.25 H new ATOM 0 HB3 ARG A 649 16.752 -5.842 -9.196 1.00 2.25 H new ATOM 0 HG2 ARG A 649 15.506 -7.035 -10.975 1.00 2.68 H new ATOM 0 HG3 ARG A 649 16.069 -8.097 -9.699 1.00 2.68 H new ATOM 0 HD2 ARG A 649 13.873 -8.834 -10.323 1.00 3.18 H new ATOM 0 HD3 ARG A 649 13.733 -8.100 -8.737 1.00 3.18 H new ATOM 0 HE ARG A 649 13.251 -6.039 -10.583 1.00 4.02 H new ATOM 0 HH11 ARG A 649 11.566 -9.078 -9.812 1.00 6.09 H new ATOM 0 HH12 ARG A 649 10.019 -8.390 -10.316 1.00 6.09 H new ATOM 0 HH21 ARG A 649 11.252 -5.328 -11.186 1.00 6.58 H new ATOM 0 HH22 ARG A 649 9.853 -6.398 -11.047 1.00 6.58 H new ATOM 1865 N ARG A 650 17.049 -7.995 -7.067 1.00 2.04 N ATOM 1866 CA ARG A 650 17.466 -9.342 -6.646 1.00 2.12 C ATOM 1867 C ARG A 650 17.207 -9.604 -5.155 1.00 1.91 C ATOM 1868 O ARG A 650 16.833 -10.719 -4.786 1.00 1.95 O ATOM 1869 CB ARG A 650 18.931 -9.616 -7.029 1.00 2.40 C ATOM 1870 CG ARG A 650 19.959 -8.584 -6.544 1.00 2.17 C ATOM 1871 CD ARG A 650 21.370 -9.172 -6.627 1.00 2.69 C ATOM 1872 NE ARG A 650 22.406 -8.180 -6.304 1.00 2.99 N ATOM 1873 CZ ARG A 650 22.824 -7.763 -5.125 1.00 3.48 C ATOM 1874 NH1 ARG A 650 22.306 -8.121 -3.989 1.00 3.66 N ATOM 1875 NH2 ARG A 650 23.815 -6.928 -5.079 1.00 4.70 N ATOM 0 H ARG A 650 17.811 -7.403 -7.398 1.00 2.04 H new ATOM 0 HA ARG A 650 16.841 -10.050 -7.191 1.00 2.12 H new ATOM 0 HB2 ARG A 650 19.212 -10.592 -6.634 1.00 2.40 H new ATOM 0 HB3 ARG A 650 18.996 -9.681 -8.115 1.00 2.40 H new ATOM 0 HG2 ARG A 650 19.896 -7.682 -7.152 1.00 2.17 H new ATOM 0 HG3 ARG A 650 19.737 -8.292 -5.517 1.00 2.17 H new ATOM 0 HD2 ARG A 650 21.451 -10.015 -5.941 1.00 2.69 H new ATOM 0 HD3 ARG A 650 21.541 -9.560 -7.631 1.00 2.69 H new ATOM 0 HE ARG A 650 22.868 -7.753 -7.107 1.00 2.99 H new ATOM 0 HH11 ARG A 650 21.519 -8.769 -3.969 1.00 3.66 H new ATOM 0 HH12 ARG A 650 22.686 -7.754 -3.117 1.00 3.66 H new ATOM 0 HH21 ARG A 650 24.253 -6.608 -5.943 1.00 4.70 H new ATOM 0 HH22 ARG A 650 24.156 -6.591 -4.179 1.00 4.70 H new ATOM 1889 N ALA A 651 17.308 -8.561 -4.338 1.00 1.75 N ATOM 1890 CA ALA A 651 17.052 -8.568 -2.896 1.00 1.62 C ATOM 1891 C ALA A 651 15.589 -8.903 -2.534 1.00 1.56 C ATOM 1892 O ALA A 651 15.341 -9.518 -1.496 1.00 1.69 O ATOM 1893 CB ALA A 651 17.457 -7.203 -2.323 1.00 1.60 C ATOM 0 H ALA A 651 17.584 -7.640 -4.678 1.00 1.75 H new ATOM 0 HA ALA A 651 17.650 -9.364 -2.453 1.00 1.62 H new ATOM 0 HB1 ALA A 651 17.273 -7.190 -1.249 1.00 1.60 H new ATOM 0 HB2 ALA A 651 18.516 -7.029 -2.512 1.00 1.60 H new ATOM 0 HB3 ALA A 651 16.870 -6.419 -2.801 1.00 1.60 H new ATOM 1899 N PHE A 652 14.628 -8.567 -3.404 1.00 1.53 N ATOM 1900 CA PHE A 652 13.237 -9.034 -3.315 1.00 1.70 C ATOM 1901 C PHE A 652 13.025 -10.405 -3.990 1.00 1.95 C ATOM 1902 O PHE A 652 12.247 -11.215 -3.492 1.00 2.19 O ATOM 1903 CB PHE A 652 12.312 -7.979 -3.944 1.00 1.68 C ATOM 1904 CG PHE A 652 11.842 -6.852 -3.036 1.00 1.52 C ATOM 1905 CD1 PHE A 652 10.787 -7.071 -2.126 1.00 2.94 C ATOM 1906 CD2 PHE A 652 12.373 -5.556 -3.175 1.00 1.68 C ATOM 1907 CE1 PHE A 652 10.251 -5.996 -1.389 1.00 2.81 C ATOM 1908 CE2 PHE A 652 11.850 -4.486 -2.430 1.00 1.74 C ATOM 1909 CZ PHE A 652 10.773 -4.700 -1.557 1.00 1.32 C ATOM 0 H PHE A 652 14.797 -7.954 -4.202 1.00 1.53 H new ATOM 0 HA PHE A 652 12.996 -9.168 -2.260 1.00 1.70 H new ATOM 0 HB2 PHE A 652 12.830 -7.537 -4.795 1.00 1.68 H new ATOM 0 HB3 PHE A 652 11.432 -8.489 -4.336 1.00 1.68 H new ATOM 0 HD1 PHE A 652 10.388 -8.066 -1.993 1.00 2.94 H new ATOM 0 HD2 PHE A 652 13.190 -5.383 -3.860 1.00 1.68 H new ATOM 0 HE1 PHE A 652 9.440 -6.167 -0.696 1.00 2.81 H new ATOM 0 HE2 PHE A 652 12.277 -3.499 -2.529 1.00 1.74 H new ATOM 0 HZ PHE A 652 10.345 -3.870 -1.014 1.00 1.32 H new ATOM 1919 N GLU A 653 13.722 -10.727 -5.084 1.00 2.00 N ATOM 1920 CA GLU A 653 13.569 -12.030 -5.763 1.00 2.28 C ATOM 1921 C GLU A 653 14.010 -13.230 -4.899 1.00 2.39 C ATOM 1922 O GLU A 653 13.459 -14.320 -5.049 1.00 2.60 O ATOM 1923 CB GLU A 653 14.348 -12.043 -7.091 1.00 2.48 C ATOM 1924 CG GLU A 653 13.770 -11.106 -8.163 1.00 2.69 C ATOM 1925 CD GLU A 653 12.444 -11.584 -8.788 1.00 3.56 C ATOM 1926 OE1 GLU A 653 11.915 -12.663 -8.416 1.00 4.51 O ATOM 1927 OE2 GLU A 653 11.930 -10.894 -9.705 1.00 3.96 O ATOM 0 H GLU A 653 14.401 -10.106 -5.524 1.00 2.00 H new ATOM 0 HA GLU A 653 12.501 -12.144 -5.950 1.00 2.28 H new ATOM 0 HB2 GLU A 653 15.383 -11.761 -6.896 1.00 2.48 H new ATOM 0 HB3 GLU A 653 14.363 -13.060 -7.482 1.00 2.48 H new ATOM 0 HG2 GLU A 653 13.614 -10.122 -7.720 1.00 2.69 H new ATOM 0 HG3 GLU A 653 14.507 -10.985 -8.957 1.00 2.69 H new ATOM 1934 N THR A 654 14.957 -13.033 -3.972 1.00 2.29 N ATOM 1935 CA THR A 654 15.491 -14.090 -3.082 1.00 2.46 C ATOM 1936 C THR A 654 14.552 -14.439 -1.921 1.00 2.50 C ATOM 1937 O THR A 654 14.508 -15.582 -1.467 1.00 2.79 O ATOM 1938 CB THR A 654 16.893 -13.706 -2.587 1.00 2.44 C ATOM 1939 OG1 THR A 654 17.502 -14.745 -1.846 1.00 2.73 O ATOM 1940 CG2 THR A 654 16.900 -12.434 -1.744 1.00 2.10 C ATOM 0 H THR A 654 15.385 -12.121 -3.811 1.00 2.29 H new ATOM 0 HA THR A 654 15.565 -15.002 -3.675 1.00 2.46 H new ATOM 0 HB THR A 654 17.468 -13.524 -3.495 1.00 2.44 H new ATOM 0 HG1 THR A 654 18.392 -14.459 -1.552 1.00 2.73 H new ATOM 0 HG21 THR A 654 17.919 -12.215 -1.424 1.00 2.10 H new ATOM 0 HG22 THR A 654 16.519 -11.602 -2.337 1.00 2.10 H new ATOM 0 HG23 THR A 654 16.267 -12.575 -0.868 1.00 2.10 H new ATOM 1948 N VAL A 655 13.754 -13.465 -1.478 1.00 2.31 N ATOM 1949 CA VAL A 655 12.736 -13.594 -0.417 1.00 2.44 C ATOM 1950 C VAL A 655 11.380 -14.037 -0.970 1.00 2.65 C ATOM 1951 O VAL A 655 10.633 -14.772 -0.320 1.00 2.91 O ATOM 1952 CB VAL A 655 12.635 -12.278 0.378 1.00 2.36 C ATOM 1953 CG1 VAL A 655 12.383 -11.051 -0.479 1.00 2.17 C ATOM 1954 CG2 VAL A 655 11.597 -12.341 1.504 1.00 2.61 C ATOM 0 H VAL A 655 13.797 -12.521 -1.862 1.00 2.31 H new ATOM 0 HA VAL A 655 13.053 -14.383 0.266 1.00 2.44 H new ATOM 0 HB VAL A 655 13.626 -12.167 0.819 1.00 2.36 H new ATOM 0 HG11 VAL A 655 12.325 -10.168 0.158 1.00 2.17 H new ATOM 0 HG12 VAL A 655 13.199 -10.932 -1.192 1.00 2.17 H new ATOM 0 HG13 VAL A 655 11.444 -11.171 -1.019 1.00 2.17 H new ATOM 0 HG21 VAL A 655 11.571 -11.386 2.029 1.00 2.61 H new ATOM 0 HG22 VAL A 655 10.614 -12.550 1.082 1.00 2.61 H new ATOM 0 HG23 VAL A 655 11.867 -13.132 2.204 1.00 2.61 H new