USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 909 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 600 THR OG1 : rot -54:sc= -1.76! USER MOD Set 1.2: A 605 GLN : amide:sc= -1.57 X(o=-3.3,f=-3.6) USER MOD Set 2.1: A 561 LYS NZ :NH3+ 151:sc= 1.21 (180deg=0) USER MOD Set 2.2: A 562 GLN : amide:sc= 0.0188 K(o=1.2,f=-5.9) USER MOD Single : A 521 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 530 GLN :FLIP amide:sc= -1.49 F(o=-2.7!,f=-1.5) USER MOD Single : A 531 HIS : no HD1:sc= -0.629 X(o=-0.63,f=-0.35) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 LYS NZ :NH3+ -169:sc= -0.0281 (180deg=-0.173) USER MOD Single : A 543 SER OG : rot 180:sc= 0 USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 547 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.25) USER MOD Single : A 550 THR OG1 : rot 108:sc= 0.708 USER MOD Single : A 552 TYR OH : rot 180:sc= 0.0223 USER MOD Single : A 553 TYR OH : rot 180:sc= 0 USER MOD Single : A 556 CYS SG : rot 180:sc= -0.146 USER MOD Single : A 558 LYS NZ :NH3+ -150:sc= 1.41 (180deg=0.0494) USER MOD Single : A 560 MET CE :methyl 152:sc= -0.428 (180deg=-1.73!) USER MOD Single : A 568 LYS NZ :NH3+ -127:sc= -0.397 (180deg=-1.67!) USER MOD Single : A 569 TYR OH : rot 180:sc= 0 USER MOD Single : A 571 SER OG : rot 180:sc= 0 USER MOD Single : A 573 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 576 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 577 SER OG : rot 180:sc= 0 USER MOD Single : A 582 HIS : no HD1:sc= -0.657 K(o=-0.66,f=-11!) USER MOD Single : A 584 SER OG : rot 160:sc= 0 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 589 MET CE :methyl 166:sc= -0.17 (180deg=-0.621) USER MOD Single : A 608 GLN : amide:sc= 0.487 K(o=0.49,f=-0.27) USER MOD Single : A 610 SER OG : rot 180:sc= 0 USER MOD Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.033) USER MOD Single : A 622 THR OG1 : rot 180:sc= 0 USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 516 -12.385 -18.134 7.604 1.00 0.00 N ATOM 2 CA ARG A 516 -12.592 -17.366 6.358 1.00 0.00 C ATOM 3 C ARG A 516 -11.576 -16.240 6.263 1.00 0.00 C ATOM 4 O ARG A 516 -11.587 -15.316 7.074 1.00 0.00 O ATOM 5 CB ARG A 516 -14.008 -16.784 6.309 1.00 0.00 C ATOM 6 CG ARG A 516 -15.106 -17.832 6.291 1.00 0.00 C ATOM 7 CD ARG A 516 -16.481 -17.187 6.229 1.00 0.00 C ATOM 8 NE ARG A 516 -17.552 -18.180 6.163 1.00 0.00 N ATOM 9 CZ ARG A 516 -18.847 -17.875 6.090 1.00 0.00 C ATOM 10 NH1 ARG A 516 -19.238 -16.605 6.069 1.00 0.00 N ATOM 11 NH2 ARG A 516 -19.751 -18.844 6.037 1.00 0.00 N ATOM 0 HA ARG A 516 -12.461 -18.044 5.514 1.00 0.00 H new ATOM 0 HB2 ARG A 516 -14.153 -16.135 7.173 1.00 0.00 H new ATOM 0 HB3 ARG A 516 -14.102 -16.159 5.421 1.00 0.00 H new ATOM 0 HG2 ARG A 516 -14.971 -18.489 5.432 1.00 0.00 H new ATOM 0 HG3 ARG A 516 -15.033 -18.454 7.183 1.00 0.00 H new ATOM 0 HD2 ARG A 516 -16.625 -16.557 7.107 1.00 0.00 H new ATOM 0 HD3 ARG A 516 -16.537 -16.536 5.356 1.00 0.00 H new ATOM 0 HE ARG A 516 -17.292 -19.166 6.173 1.00 0.00 H new ATOM 0 HH11 ARG A 516 -18.545 -15.857 6.109 1.00 0.00 H new ATOM 0 HH12 ARG A 516 -20.231 -16.378 6.013 1.00 0.00 H new ATOM 0 HH21 ARG A 516 -19.454 -19.820 6.052 1.00 0.00 H new ATOM 0 HH22 ARG A 516 -20.743 -18.613 5.981 1.00 0.00 H new ATOM 27 N ARG A 517 -10.689 -16.328 5.286 1.00 0.00 N ATOM 28 CA ARG A 517 -9.687 -15.297 5.075 1.00 0.00 C ATOM 29 C ARG A 517 -10.017 -14.451 3.859 1.00 0.00 C ATOM 30 O ARG A 517 -10.619 -14.931 2.897 1.00 0.00 O ATOM 31 CB ARG A 517 -8.305 -15.907 4.911 1.00 0.00 C ATOM 32 CG ARG A 517 -7.672 -16.308 6.224 1.00 0.00 C ATOM 33 CD ARG A 517 -6.241 -16.751 6.025 1.00 0.00 C ATOM 34 NE ARG A 517 -5.427 -15.713 5.390 1.00 0.00 N ATOM 35 CZ ARG A 517 -4.149 -15.872 5.047 1.00 0.00 C ATOM 36 NH1 ARG A 517 -3.529 -17.018 5.302 1.00 0.00 N ATOM 37 NH2 ARG A 517 -3.490 -14.882 4.455 1.00 0.00 N ATOM 0 H ARG A 517 -10.642 -17.104 4.626 1.00 0.00 H new ATOM 0 HA ARG A 517 -9.690 -14.657 5.958 1.00 0.00 H new ATOM 0 HB2 ARG A 517 -8.376 -16.783 4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 517 -7.656 -15.191 4.406 1.00 0.00 H new ATOM 0 HG2 ARG A 517 -7.703 -15.468 6.918 1.00 0.00 H new ATOM 0 HG3 ARG A 517 -8.247 -17.116 6.677 1.00 0.00 H new ATOM 0 HD2 ARG A 517 -5.806 -17.013 6.989 1.00 0.00 H new ATOM 0 HD3 ARG A 517 -6.223 -17.652 5.411 1.00 0.00 H new ATOM 0 HE ARG A 517 -5.865 -14.812 5.198 1.00 0.00 H new ATOM 0 HH11 ARG A 517 -4.031 -17.778 5.761 1.00 0.00 H new ATOM 0 HH12 ARG A 517 -2.551 -17.138 5.039 1.00 0.00 H new ATOM 0 HH21 ARG A 517 -3.962 -13.999 4.262 1.00 0.00 H new ATOM 0 HH22 ARG A 517 -2.512 -15.005 4.193 1.00 0.00 H new ATOM 51 N ARG A 518 -9.612 -13.196 3.904 1.00 0.00 N ATOM 52 CA ARG A 518 -9.826 -12.288 2.794 1.00 0.00 C ATOM 53 C ARG A 518 -8.501 -12.003 2.112 1.00 0.00 C ATOM 54 O ARG A 518 -7.593 -11.427 2.711 1.00 0.00 O ATOM 55 CB ARG A 518 -10.484 -10.988 3.285 1.00 0.00 C ATOM 56 CG ARG A 518 -10.922 -10.029 2.180 1.00 0.00 C ATOM 57 CD ARG A 518 -9.766 -9.208 1.620 1.00 0.00 C ATOM 58 NE ARG A 518 -9.092 -8.425 2.657 1.00 0.00 N ATOM 59 CZ ARG A 518 -8.520 -7.238 2.452 1.00 0.00 C ATOM 60 NH1 ARG A 518 -8.525 -6.686 1.244 1.00 0.00 N ATOM 61 NH2 ARG A 518 -7.935 -6.607 3.460 1.00 0.00 N ATOM 0 H ARG A 518 -9.131 -12.781 4.702 1.00 0.00 H new ATOM 0 HA ARG A 518 -10.499 -12.750 2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 518 -11.354 -11.245 3.889 1.00 0.00 H new ATOM 0 HB3 ARG A 518 -9.784 -10.469 3.940 1.00 0.00 H new ATOM 0 HG2 ARG A 518 -11.383 -10.598 1.372 1.00 0.00 H new ATOM 0 HG3 ARG A 518 -11.685 -9.355 2.571 1.00 0.00 H new ATOM 0 HD2 ARG A 518 -9.046 -9.874 1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 518 -10.140 -8.538 0.846 1.00 0.00 H new ATOM 0 HE ARG A 518 -9.058 -8.813 3.600 1.00 0.00 H new ATOM 0 HH11 ARG A 518 -8.969 -7.170 0.464 1.00 0.00 H new ATOM 0 HH12 ARG A 518 -8.085 -5.778 1.097 1.00 0.00 H new ATOM 0 HH21 ARG A 518 -7.923 -7.030 4.388 1.00 0.00 H new ATOM 0 HH22 ARG A 518 -7.496 -5.699 3.307 1.00 0.00 H new ATOM 75 N ILE A 519 -8.390 -12.421 0.866 1.00 0.00 N ATOM 76 CA ILE A 519 -7.181 -12.196 0.097 1.00 0.00 C ATOM 77 C ILE A 519 -7.510 -11.345 -1.110 1.00 0.00 C ATOM 78 O ILE A 519 -8.477 -11.612 -1.817 1.00 0.00 O ATOM 79 CB ILE A 519 -6.549 -13.511 -0.386 1.00 0.00 C ATOM 80 CG1 ILE A 519 -6.830 -14.637 0.613 1.00 0.00 C ATOM 81 CG2 ILE A 519 -5.049 -13.330 -0.591 1.00 0.00 C ATOM 82 CD1 ILE A 519 -6.159 -15.946 0.261 1.00 0.00 C ATOM 0 H ILE A 519 -9.124 -12.920 0.363 1.00 0.00 H new ATOM 0 HA ILE A 519 -6.465 -11.694 0.748 1.00 0.00 H new ATOM 0 HB ILE A 519 -6.996 -13.785 -1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 519 -6.498 -14.324 1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 519 -7.907 -14.796 0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 519 -4.613 -14.268 -0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 519 -4.875 -12.555 -1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 519 -4.586 -13.037 0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 519 -6.404 -16.695 1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 519 -6.510 -16.284 -0.714 1.00 0.00 H new ATOM 0 HD13 ILE A 519 -5.079 -15.804 0.229 1.00 0.00 H new ATOM 94 N ALA A 520 -6.715 -10.327 -1.344 1.00 0.00 N ATOM 95 CA ALA A 520 -6.987 -9.393 -2.417 1.00 0.00 C ATOM 96 C ALA A 520 -6.193 -9.743 -3.664 1.00 0.00 C ATOM 97 O ALA A 520 -5.095 -10.294 -3.577 1.00 0.00 O ATOM 98 CB ALA A 520 -6.670 -7.979 -1.964 1.00 0.00 C ATOM 0 H ALA A 520 -5.873 -10.122 -0.806 1.00 0.00 H new ATOM 0 HA ALA A 520 -8.046 -9.458 -2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -6.877 -7.282 -2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -7.288 -7.726 -1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -5.618 -7.913 -1.688 1.00 0.00 H new ATOM 104 N THR A 521 -6.754 -9.422 -4.817 1.00 0.00 N ATOM 105 CA THR A 521 -6.066 -9.570 -6.083 1.00 0.00 C ATOM 106 C THR A 521 -5.568 -8.218 -6.564 1.00 0.00 C ATOM 107 O THR A 521 -6.231 -7.207 -6.348 1.00 0.00 O ATOM 108 CB THR A 521 -6.996 -10.192 -7.143 1.00 0.00 C ATOM 109 OG1 THR A 521 -8.365 -9.889 -6.837 1.00 0.00 O ATOM 110 CG2 THR A 521 -6.805 -11.696 -7.215 1.00 0.00 C ATOM 0 H THR A 521 -7.701 -9.051 -4.899 1.00 0.00 H new ATOM 0 HA THR A 521 -5.216 -10.236 -5.935 1.00 0.00 H new ATOM 0 HB THR A 521 -6.741 -9.765 -8.113 1.00 0.00 H new ATOM 0 HG1 THR A 521 -8.948 -10.287 -7.517 1.00 0.00 H new ATOM 0 HG21 THR A 521 -7.472 -12.112 -7.970 1.00 0.00 H new ATOM 0 HG22 THR A 521 -5.772 -11.919 -7.481 1.00 0.00 H new ATOM 0 HG23 THR A 521 -7.034 -12.139 -6.246 1.00 0.00 H new ATOM 118 N PRO A 522 -4.396 -8.176 -7.217 1.00 0.00 N ATOM 119 CA PRO A 522 -3.779 -6.921 -7.663 1.00 0.00 C ATOM 120 C PRO A 522 -4.732 -6.076 -8.503 1.00 0.00 C ATOM 121 O PRO A 522 -4.808 -4.859 -8.341 1.00 0.00 O ATOM 122 CB PRO A 522 -2.578 -7.376 -8.509 1.00 0.00 C ATOM 123 CG PRO A 522 -2.783 -8.836 -8.745 1.00 0.00 C ATOM 124 CD PRO A 522 -3.574 -9.339 -7.574 1.00 0.00 C ATOM 0 HA PRO A 522 -3.500 -6.289 -6.820 1.00 0.00 H new ATOM 0 HB2 PRO A 522 -2.532 -6.829 -9.451 1.00 0.00 H new ATOM 0 HB3 PRO A 522 -1.639 -7.191 -7.988 1.00 0.00 H new ATOM 0 HG2 PRO A 522 -3.317 -9.009 -9.679 1.00 0.00 H new ATOM 0 HG3 PRO A 522 -1.828 -9.356 -8.823 1.00 0.00 H new ATOM 0 HD2 PRO A 522 -4.186 -10.201 -7.839 1.00 0.00 H new ATOM 0 HD3 PRO A 522 -2.929 -9.647 -6.751 1.00 0.00 H new ATOM 132 N GLU A 523 -5.446 -6.740 -9.399 1.00 0.00 N ATOM 133 CA GLU A 523 -6.427 -6.072 -10.248 1.00 0.00 C ATOM 134 C GLU A 523 -7.495 -5.372 -9.396 1.00 0.00 C ATOM 135 O GLU A 523 -7.913 -4.257 -9.702 1.00 0.00 O ATOM 136 CB GLU A 523 -7.062 -7.070 -11.218 1.00 0.00 C ATOM 137 CG GLU A 523 -7.548 -8.350 -10.560 1.00 0.00 C ATOM 138 CD GLU A 523 -7.971 -9.389 -11.573 1.00 0.00 C ATOM 139 OE1 GLU A 523 -7.084 -10.054 -12.147 1.00 0.00 O ATOM 140 OE2 GLU A 523 -9.188 -9.541 -11.800 1.00 0.00 O ATOM 0 H GLU A 523 -5.366 -7.744 -9.559 1.00 0.00 H new ATOM 0 HA GLU A 523 -5.915 -5.309 -10.834 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -7.903 -6.589 -11.718 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -6.335 -7.324 -11.989 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -6.755 -8.758 -9.933 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -8.388 -8.123 -9.903 1.00 0.00 H new ATOM 147 N GLU A 524 -7.915 -6.027 -8.320 1.00 0.00 N ATOM 148 CA GLU A 524 -8.855 -5.437 -7.373 1.00 0.00 C ATOM 149 C GLU A 524 -8.194 -4.341 -6.539 1.00 0.00 C ATOM 150 O GLU A 524 -8.846 -3.394 -6.120 1.00 0.00 O ATOM 151 CB GLU A 524 -9.429 -6.516 -6.459 1.00 0.00 C ATOM 152 CG GLU A 524 -10.309 -7.516 -7.186 1.00 0.00 C ATOM 153 CD GLU A 524 -11.605 -6.909 -7.681 1.00 0.00 C ATOM 154 OE1 GLU A 524 -11.644 -6.403 -8.821 1.00 0.00 O ATOM 155 OE2 GLU A 524 -12.602 -6.948 -6.931 1.00 0.00 O ATOM 0 H GLU A 524 -7.617 -6.973 -8.080 1.00 0.00 H new ATOM 0 HA GLU A 524 -9.664 -4.982 -7.945 1.00 0.00 H new ATOM 0 HB2 GLU A 524 -8.609 -7.048 -5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -10.009 -6.041 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 524 -9.760 -7.928 -8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 524 -10.535 -8.347 -6.518 1.00 0.00 H new ATOM 162 N VAL A 525 -6.900 -4.478 -6.291 1.00 0.00 N ATOM 163 CA VAL A 525 -6.169 -3.503 -5.485 1.00 0.00 C ATOM 164 C VAL A 525 -5.911 -2.215 -6.273 1.00 0.00 C ATOM 165 O VAL A 525 -5.843 -1.126 -5.701 1.00 0.00 O ATOM 166 CB VAL A 525 -4.832 -4.082 -4.977 1.00 0.00 C ATOM 167 CG1 VAL A 525 -4.072 -3.058 -4.148 1.00 0.00 C ATOM 168 CG2 VAL A 525 -5.068 -5.345 -4.166 1.00 0.00 C ATOM 0 H VAL A 525 -6.332 -5.253 -6.634 1.00 0.00 H new ATOM 0 HA VAL A 525 -6.794 -3.267 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 525 -4.226 -4.334 -5.847 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -3.134 -3.493 -3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -3.862 -2.180 -4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -4.675 -2.767 -3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -4.113 -5.737 -3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -5.700 -5.114 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -5.561 -6.091 -4.790 1.00 0.00 H new ATOM 178 N ARG A 526 -5.755 -2.341 -7.585 1.00 0.00 N ATOM 179 CA ARG A 526 -5.622 -1.169 -8.444 1.00 0.00 C ATOM 180 C ARG A 526 -6.983 -0.562 -8.750 1.00 0.00 C ATOM 181 O ARG A 526 -7.065 0.564 -9.231 1.00 0.00 O ATOM 182 CB ARG A 526 -4.884 -1.494 -9.749 1.00 0.00 C ATOM 183 CG ARG A 526 -5.512 -2.604 -10.568 1.00 0.00 C ATOM 184 CD ARG A 526 -4.622 -2.999 -11.737 1.00 0.00 C ATOM 185 NE ARG A 526 -4.308 -1.862 -12.606 1.00 0.00 N ATOM 186 CZ ARG A 526 -3.078 -1.372 -12.789 1.00 0.00 C ATOM 187 NH1 ARG A 526 -2.036 -1.911 -12.164 1.00 0.00 N ATOM 188 NH2 ARG A 526 -2.894 -0.345 -13.608 1.00 0.00 N ATOM 0 H ARG A 526 -5.718 -3.235 -8.075 1.00 0.00 H new ATOM 0 HA ARG A 526 -5.025 -0.440 -7.896 1.00 0.00 H new ATOM 0 HB2 ARG A 526 -4.837 -0.592 -10.359 1.00 0.00 H new ATOM 0 HB3 ARG A 526 -3.857 -1.772 -9.511 1.00 0.00 H new ATOM 0 HG2 ARG A 526 -5.689 -3.472 -9.933 1.00 0.00 H new ATOM 0 HG3 ARG A 526 -6.483 -2.279 -10.941 1.00 0.00 H new ATOM 0 HD2 ARG A 526 -3.696 -3.429 -11.356 1.00 0.00 H new ATOM 0 HD3 ARG A 526 -5.117 -3.774 -12.322 1.00 0.00 H new ATOM 0 HE ARG A 526 -5.078 -1.415 -13.104 1.00 0.00 H new ATOM 0 HH11 ARG A 526 -2.171 -2.705 -11.539 1.00 0.00 H new ATOM 0 HH12 ARG A 526 -1.101 -1.530 -12.310 1.00 0.00 H new ATOM 0 HH21 ARG A 526 -3.689 0.068 -14.095 1.00 0.00 H new ATOM 0 HH22 ARG A 526 -1.957 0.032 -13.751 1.00 0.00 H new ATOM 202 N LEU A 527 -8.046 -1.315 -8.486 1.00 0.00 N ATOM 203 CA LEU A 527 -9.416 -0.840 -8.681 1.00 0.00 C ATOM 204 C LEU A 527 -9.637 0.526 -8.004 1.00 0.00 C ATOM 205 O LEU A 527 -10.139 1.452 -8.640 1.00 0.00 O ATOM 206 CB LEU A 527 -10.400 -1.889 -8.138 1.00 0.00 C ATOM 207 CG LEU A 527 -11.604 -2.220 -9.021 1.00 0.00 C ATOM 208 CD1 LEU A 527 -12.522 -1.020 -9.156 1.00 0.00 C ATOM 209 CD2 LEU A 527 -11.144 -2.709 -10.384 1.00 0.00 C ATOM 0 H LEU A 527 -7.985 -2.270 -8.132 1.00 0.00 H new ATOM 0 HA LEU A 527 -9.592 -0.701 -9.748 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -9.848 -2.811 -7.955 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -10.770 -1.542 -7.173 1.00 0.00 H new ATOM 0 HG LEU A 527 -12.170 -3.020 -8.544 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -13.371 -1.280 -9.788 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -12.881 -0.724 -8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -11.975 -0.192 -9.606 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -12.013 -2.940 -11.000 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -10.552 -1.932 -10.868 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -10.536 -3.606 -10.263 1.00 0.00 H new ATOM 221 N PRO A 528 -9.260 0.687 -6.713 1.00 0.00 N ATOM 222 CA PRO A 528 -9.331 1.984 -6.028 1.00 0.00 C ATOM 223 C PRO A 528 -8.532 3.061 -6.751 1.00 0.00 C ATOM 224 O PRO A 528 -8.959 4.215 -6.834 1.00 0.00 O ATOM 225 CB PRO A 528 -8.718 1.703 -4.654 1.00 0.00 C ATOM 226 CG PRO A 528 -8.883 0.241 -4.454 1.00 0.00 C ATOM 227 CD PRO A 528 -8.768 -0.371 -5.812 1.00 0.00 C ATOM 0 HA PRO A 528 -10.352 2.362 -5.983 1.00 0.00 H new ATOM 0 HB2 PRO A 528 -7.667 1.990 -4.624 1.00 0.00 H new ATOM 0 HB3 PRO A 528 -9.225 2.268 -3.872 1.00 0.00 H new ATOM 0 HG2 PRO A 528 -8.119 -0.151 -3.783 1.00 0.00 H new ATOM 0 HG3 PRO A 528 -9.849 0.015 -4.004 1.00 0.00 H new ATOM 0 HD2 PRO A 528 -7.739 -0.646 -6.042 1.00 0.00 H new ATOM 0 HD3 PRO A 528 -9.367 -1.278 -5.895 1.00 0.00 H new ATOM 235 N LEU A 529 -7.388 2.667 -7.304 1.00 0.00 N ATOM 236 CA LEU A 529 -6.507 3.599 -7.999 1.00 0.00 C ATOM 237 C LEU A 529 -7.194 4.145 -9.244 1.00 0.00 C ATOM 238 O LEU A 529 -6.914 5.259 -9.688 1.00 0.00 O ATOM 239 CB LEU A 529 -5.194 2.913 -8.397 1.00 0.00 C ATOM 240 CG LEU A 529 -4.438 2.213 -7.263 1.00 0.00 C ATOM 241 CD1 LEU A 529 -3.138 1.613 -7.774 1.00 0.00 C ATOM 242 CD2 LEU A 529 -4.154 3.178 -6.130 1.00 0.00 C ATOM 0 H LEU A 529 -7.049 1.705 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 529 -6.282 4.422 -7.320 1.00 0.00 H new ATOM 0 HB2 LEU A 529 -5.410 2.178 -9.172 1.00 0.00 H new ATOM 0 HB3 LEU A 529 -4.536 3.660 -8.841 1.00 0.00 H new ATOM 0 HG LEU A 529 -5.070 1.409 -6.885 1.00 0.00 H new ATOM 0 HD11 LEU A 529 -2.617 1.121 -6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 529 -3.356 0.884 -8.554 1.00 0.00 H new ATOM 0 HD13 LEU A 529 -2.508 2.404 -8.182 1.00 0.00 H new ATOM 0 HD21 LEU A 529 -3.617 2.659 -5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 529 -3.547 4.004 -6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 529 -5.094 3.566 -5.738 1.00 0.00 H new ATOM 254 N GLN A 530 -8.111 3.358 -9.791 1.00 0.00 N ATOM 255 CA GLN A 530 -8.824 3.735 -11.004 1.00 0.00 C ATOM 256 C GLN A 530 -9.915 4.753 -10.692 1.00 0.00 C ATOM 257 O GLN A 530 -10.352 5.496 -11.567 1.00 0.00 O ATOM 258 CB GLN A 530 -9.463 2.503 -11.651 1.00 0.00 C ATOM 259 CG GLN A 530 -8.529 1.309 -11.769 1.00 0.00 C ATOM 260 CD GLN A 530 -9.195 0.109 -12.412 1.00 0.00 C ATOM 261 OE1 GLN A 530 -8.770 -1.080 -12.023 1.00 0.00 O flip ATOM 262 NE2 GLN A 530 -10.090 0.250 -13.247 1.00 0.00 N flip ATOM 0 H GLN A 530 -8.379 2.450 -9.411 1.00 0.00 H new ATOM 0 HA GLN A 530 -8.104 4.178 -11.692 1.00 0.00 H new ATOM 0 HB2 GLN A 530 -10.336 2.211 -11.068 1.00 0.00 H new ATOM 0 HB3 GLN A 530 -9.819 2.772 -12.645 1.00 0.00 H new ATOM 0 HG2 GLN A 530 -7.655 1.593 -12.356 1.00 0.00 H new ATOM 0 HG3 GLN A 530 -8.171 1.033 -10.777 1.00 0.00 H new ATOM 0 HE21 GLN A 530 -10.390 1.186 -13.520 1.00 0.00 H new ATOM 0 HE22 GLN A 530 -10.531 -0.569 -13.665 1.00 0.00 H new ATOM 271 N HIS A 531 -10.347 4.786 -9.438 1.00 0.00 N ATOM 272 CA HIS A 531 -11.470 5.629 -9.046 1.00 0.00 C ATOM 273 C HIS A 531 -11.022 6.913 -8.360 1.00 0.00 C ATOM 274 O HIS A 531 -11.749 7.904 -8.363 1.00 0.00 O ATOM 275 CB HIS A 531 -12.434 4.854 -8.147 1.00 0.00 C ATOM 276 CG HIS A 531 -13.274 3.872 -8.902 1.00 0.00 C ATOM 277 ND1 HIS A 531 -14.446 4.254 -9.511 1.00 0.00 N ATOM 278 CD2 HIS A 531 -13.059 2.557 -9.142 1.00 0.00 C ATOM 279 CE1 HIS A 531 -14.912 3.170 -10.109 1.00 0.00 C ATOM 280 NE2 HIS A 531 -14.106 2.118 -9.912 1.00 0.00 N ATOM 0 H HIS A 531 -9.939 4.242 -8.678 1.00 0.00 H new ATOM 0 HA HIS A 531 -11.986 5.917 -9.962 1.00 0.00 H new ATOM 0 HB2 HIS A 531 -11.864 4.325 -7.383 1.00 0.00 H new ATOM 0 HB3 HIS A 531 -13.085 5.558 -7.629 1.00 0.00 H new ATOM 0 HD2 HIS A 531 -12.224 1.967 -8.794 1.00 0.00 H new ATOM 0 HE1 HIS A 531 -15.826 3.137 -10.683 1.00 0.00 H new ATOM 0 HE2 HIS A 531 -14.244 1.172 -10.267 1.00 0.00 H new ATOM 288 N GLY A 532 -9.837 6.908 -7.772 1.00 0.00 N ATOM 289 CA GLY A 532 -9.348 8.113 -7.131 1.00 0.00 C ATOM 290 C GLY A 532 -8.420 7.830 -5.973 1.00 0.00 C ATOM 291 O GLY A 532 -7.567 8.654 -5.642 1.00 0.00 O ATOM 0 H GLY A 532 -9.211 6.104 -7.726 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -8.825 8.723 -7.868 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.196 8.699 -6.775 1.00 0.00 H new ATOM 295 N TRP A 533 -8.593 6.676 -5.345 1.00 0.00 N ATOM 296 CA TRP A 533 -7.720 6.269 -4.254 1.00 0.00 C ATOM 297 C TRP A 533 -6.295 6.098 -4.755 1.00 0.00 C ATOM 298 O TRP A 533 -6.068 5.887 -5.947 1.00 0.00 O ATOM 299 CB TRP A 533 -8.191 4.947 -3.653 1.00 0.00 C ATOM 300 CG TRP A 533 -9.544 5.004 -3.023 1.00 0.00 C ATOM 301 CD1 TRP A 533 -10.750 5.060 -3.661 1.00 0.00 C ATOM 302 CD2 TRP A 533 -9.827 4.980 -1.624 1.00 0.00 C ATOM 303 NE1 TRP A 533 -11.767 5.091 -2.740 1.00 0.00 N ATOM 304 CE2 TRP A 533 -11.226 5.036 -1.480 1.00 0.00 C ATOM 305 CE3 TRP A 533 -9.032 4.918 -0.477 1.00 0.00 C ATOM 306 CZ2 TRP A 533 -11.844 5.031 -0.234 1.00 0.00 C ATOM 307 CZ3 TRP A 533 -9.646 4.911 0.758 1.00 0.00 C ATOM 308 CH2 TRP A 533 -11.039 4.967 0.872 1.00 0.00 C ATOM 0 H TRP A 533 -9.328 6.006 -5.572 1.00 0.00 H new ATOM 0 HA TRP A 533 -7.752 7.047 -3.491 1.00 0.00 H new ATOM 0 HB2 TRP A 533 -8.200 4.188 -4.436 1.00 0.00 H new ATOM 0 HB3 TRP A 533 -7.468 4.624 -2.904 1.00 0.00 H new ATOM 0 HD1 TRP A 533 -10.884 5.077 -4.733 1.00 0.00 H new ATOM 0 HE1 TRP A 533 -12.762 5.146 -2.957 1.00 0.00 H new ATOM 0 HE3 TRP A 533 -7.956 4.876 -0.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 -12.919 5.076 -0.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 -9.041 4.861 1.652 1.00 0.00 H new ATOM 0 HH2 TRP A 533 -11.489 4.960 1.854 1.00 0.00 H new ATOM 319 N ARG A 534 -5.339 6.178 -3.849 1.00 0.00 N ATOM 320 CA ARG A 534 -3.950 5.931 -4.184 1.00 0.00 C ATOM 321 C ARG A 534 -3.357 4.978 -3.158 1.00 0.00 C ATOM 322 O ARG A 534 -3.887 4.848 -2.052 1.00 0.00 O ATOM 323 CB ARG A 534 -3.149 7.237 -4.225 1.00 0.00 C ATOM 324 CG ARG A 534 -3.479 8.135 -5.411 1.00 0.00 C ATOM 325 CD ARG A 534 -3.263 7.428 -6.745 1.00 0.00 C ATOM 326 NE ARG A 534 -1.907 6.893 -6.885 1.00 0.00 N ATOM 327 CZ ARG A 534 -1.458 6.263 -7.973 1.00 0.00 C ATOM 328 NH1 ARG A 534 -2.244 6.112 -9.031 1.00 0.00 N ATOM 329 NH2 ARG A 534 -0.219 5.784 -8.005 1.00 0.00 N ATOM 0 H ARG A 534 -5.501 6.414 -2.870 1.00 0.00 H new ATOM 0 HA ARG A 534 -3.899 5.484 -5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -3.330 7.790 -3.303 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -2.086 6.998 -4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -4.516 8.463 -5.339 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -2.858 9.030 -5.371 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -3.982 6.615 -6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -3.460 8.126 -7.558 1.00 0.00 H new ATOM 0 HE ARG A 534 -1.265 7.009 -6.101 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -3.196 6.478 -9.016 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -1.896 5.630 -9.860 1.00 0.00 H new ATOM 0 HH21 ARG A 534 0.393 5.897 -7.197 1.00 0.00 H new ATOM 0 HH22 ARG A 534 0.121 5.303 -8.838 1.00 0.00 H new ATOM 343 N ARG A 535 -2.266 4.319 -3.515 1.00 0.00 N ATOM 344 CA ARG A 535 -1.653 3.373 -2.601 1.00 0.00 C ATOM 345 C ARG A 535 -0.144 3.362 -2.773 1.00 0.00 C ATOM 346 O ARG A 535 0.373 3.027 -3.843 1.00 0.00 O ATOM 347 CB ARG A 535 -2.212 1.979 -2.877 1.00 0.00 C ATOM 348 CG ARG A 535 -1.806 0.932 -1.859 1.00 0.00 C ATOM 349 CD ARG A 535 -1.274 -0.312 -2.539 1.00 0.00 C ATOM 350 NE ARG A 535 -1.451 -1.516 -1.727 1.00 0.00 N ATOM 351 CZ ARG A 535 -0.623 -2.559 -1.748 1.00 0.00 C ATOM 352 NH1 ARG A 535 0.451 -2.542 -2.527 1.00 0.00 N ATOM 353 NH2 ARG A 535 -0.870 -3.612 -0.979 1.00 0.00 N ATOM 0 H ARG A 535 -1.795 4.419 -4.414 1.00 0.00 H new ATOM 0 HA ARG A 535 -1.880 3.670 -1.577 1.00 0.00 H new ATOM 0 HB2 ARG A 535 -3.300 2.036 -2.908 1.00 0.00 H new ATOM 0 HB3 ARG A 535 -1.881 1.657 -3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 535 -1.044 1.342 -1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 535 -2.663 0.672 -1.238 1.00 0.00 H new ATOM 0 HD2 ARG A 535 -1.782 -0.445 -3.494 1.00 0.00 H new ATOM 0 HD3 ARG A 535 -0.214 -0.178 -2.757 1.00 0.00 H new ATOM 0 HE ARG A 535 -2.259 -1.559 -1.106 1.00 0.00 H new ATOM 0 HH11 ARG A 535 0.644 -1.729 -3.112 1.00 0.00 H new ATOM 0 HH12 ARG A 535 1.083 -3.342 -2.541 1.00 0.00 H new ATOM 0 HH21 ARG A 535 -1.692 -3.621 -0.375 1.00 0.00 H new ATOM 0 HH22 ARG A 535 -0.238 -4.413 -0.992 1.00 0.00 H new ATOM 367 N GLU A 536 0.550 3.700 -1.709 1.00 0.00 N ATOM 368 CA GLU A 536 1.998 3.769 -1.720 1.00 0.00 C ATOM 369 C GLU A 536 2.560 2.713 -0.781 1.00 0.00 C ATOM 370 O GLU A 536 1.991 2.460 0.275 1.00 0.00 O ATOM 371 CB GLU A 536 2.464 5.155 -1.270 1.00 0.00 C ATOM 372 CG GLU A 536 2.148 6.258 -2.261 1.00 0.00 C ATOM 373 CD GLU A 536 2.564 7.631 -1.766 1.00 0.00 C ATOM 374 OE1 GLU A 536 3.670 7.764 -1.200 1.00 0.00 O ATOM 375 OE2 GLU A 536 1.790 8.593 -1.950 1.00 0.00 O ATOM 0 H GLU A 536 0.128 3.935 -0.811 1.00 0.00 H new ATOM 0 HA GLU A 536 2.356 3.588 -2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 536 1.996 5.393 -0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 536 3.540 5.129 -1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 536 2.653 6.048 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 536 1.078 6.260 -2.466 1.00 0.00 H new ATOM 382 N VAL A 537 3.652 2.085 -1.163 1.00 0.00 N ATOM 383 CA VAL A 537 4.283 1.096 -0.306 1.00 0.00 C ATOM 384 C VAL A 537 5.675 1.561 0.076 1.00 0.00 C ATOM 385 O VAL A 537 6.531 1.779 -0.781 1.00 0.00 O ATOM 386 CB VAL A 537 4.365 -0.293 -0.980 1.00 0.00 C ATOM 387 CG1 VAL A 537 5.012 -1.312 -0.051 1.00 0.00 C ATOM 388 CG2 VAL A 537 2.983 -0.766 -1.399 1.00 0.00 C ATOM 0 H VAL A 537 4.121 2.238 -2.056 1.00 0.00 H new ATOM 0 HA VAL A 537 3.665 0.994 0.586 1.00 0.00 H new ATOM 0 HB VAL A 537 4.987 -0.198 -1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 537 5.058 -2.281 -0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 537 6.021 -0.986 0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 537 4.421 -1.400 0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 537 3.061 -1.745 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 537 2.341 -0.837 -0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 537 2.554 -0.056 -2.106 1.00 0.00 H new ATOM 398 N ARG A 538 5.885 1.719 1.362 1.00 0.00 N ATOM 399 CA ARG A 538 7.139 2.237 1.873 1.00 0.00 C ATOM 400 C ARG A 538 7.971 1.111 2.468 1.00 0.00 C ATOM 401 O ARG A 538 7.550 0.457 3.425 1.00 0.00 O ATOM 402 CB ARG A 538 6.859 3.316 2.919 1.00 0.00 C ATOM 403 CG ARG A 538 6.119 4.518 2.353 1.00 0.00 C ATOM 404 CD ARG A 538 5.621 5.446 3.448 1.00 0.00 C ATOM 405 NE ARG A 538 6.704 5.925 4.307 1.00 0.00 N ATOM 406 CZ ARG A 538 6.888 7.203 4.635 1.00 0.00 C ATOM 407 NH1 ARG A 538 6.093 8.144 4.141 1.00 0.00 N ATOM 408 NH2 ARG A 538 7.875 7.538 5.458 1.00 0.00 N ATOM 0 H ARG A 538 5.198 1.495 2.082 1.00 0.00 H new ATOM 0 HA ARG A 538 7.706 2.680 1.055 1.00 0.00 H new ATOM 0 HB2 ARG A 538 6.272 2.884 3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 538 7.803 3.648 3.351 1.00 0.00 H new ATOM 0 HG2 ARG A 538 6.780 5.069 1.684 1.00 0.00 H new ATOM 0 HG3 ARG A 538 5.274 4.175 1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 538 5.115 6.299 2.996 1.00 0.00 H new ATOM 0 HD3 ARG A 538 4.883 4.923 4.056 1.00 0.00 H new ATOM 0 HE ARG A 538 7.359 5.237 4.678 1.00 0.00 H new ATOM 0 HH11 ARG A 538 5.336 7.890 3.506 1.00 0.00 H new ATOM 0 HH12 ARG A 538 6.239 9.121 4.396 1.00 0.00 H new ATOM 0 HH21 ARG A 538 8.490 6.818 5.837 1.00 0.00 H new ATOM 0 HH22 ARG A 538 8.018 8.516 5.711 1.00 0.00 H new ATOM 422 N ILE A 539 9.147 0.879 1.900 1.00 0.00 N ATOM 423 CA ILE A 539 10.009 -0.187 2.370 1.00 0.00 C ATOM 424 C ILE A 539 11.288 0.383 2.976 1.00 0.00 C ATOM 425 O ILE A 539 12.037 1.113 2.326 1.00 0.00 O ATOM 426 CB ILE A 539 10.373 -1.140 1.220 1.00 0.00 C ATOM 427 CG1 ILE A 539 9.103 -1.609 0.507 1.00 0.00 C ATOM 428 CG2 ILE A 539 11.164 -2.328 1.744 1.00 0.00 C ATOM 429 CD1 ILE A 539 9.363 -2.528 -0.664 1.00 0.00 C ATOM 0 H ILE A 539 9.521 1.414 1.117 1.00 0.00 H new ATOM 0 HA ILE A 539 9.465 -0.741 3.135 1.00 0.00 H new ATOM 0 HB ILE A 539 10.997 -0.605 0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 539 8.464 -2.123 1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 539 8.552 -0.737 0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 539 11.413 -2.992 0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 539 12.081 -1.975 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 539 10.565 -2.869 2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 539 8.415 -2.817 -1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 539 9.976 -2.011 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 539 9.886 -3.419 -0.318 1.00 0.00 H new ATOM 441 N LYS A 540 11.522 0.034 4.221 1.00 0.00 N ATOM 442 CA LYS A 540 12.693 0.520 4.932 1.00 0.00 C ATOM 443 C LYS A 540 13.491 -0.611 5.553 1.00 0.00 C ATOM 444 O LYS A 540 12.938 -1.637 5.956 1.00 0.00 O ATOM 445 CB LYS A 540 12.286 1.544 5.995 1.00 0.00 C ATOM 446 CG LYS A 540 11.341 1.000 7.055 1.00 0.00 C ATOM 447 CD LYS A 540 10.748 2.116 7.901 1.00 0.00 C ATOM 448 CE LYS A 540 11.823 2.987 8.529 1.00 0.00 C ATOM 449 NZ LYS A 540 12.637 2.247 9.530 1.00 0.00 N ATOM 0 H LYS A 540 10.920 -0.584 4.766 1.00 0.00 H new ATOM 0 HA LYS A 540 13.340 1.008 4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 540 13.185 1.920 6.484 1.00 0.00 H new ATOM 0 HB3 LYS A 540 11.812 2.393 5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 540 10.538 0.440 6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 540 11.877 0.301 7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 540 10.097 2.733 7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 540 10.126 1.685 8.686 1.00 0.00 H new ATOM 0 HE2 LYS A 540 12.477 3.374 7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 540 11.356 3.847 9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 540 13.356 2.882 9.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 540 12.019 1.900 10.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 540 13.105 1.441 9.069 1.00 0.00 H new ATOM 463 N LYS A 541 14.799 -0.415 5.617 1.00 0.00 N ATOM 464 CA LYS A 541 15.670 -1.393 6.231 1.00 0.00 C ATOM 465 C LYS A 541 15.651 -1.193 7.737 1.00 0.00 C ATOM 466 O LYS A 541 15.879 -0.085 8.226 1.00 0.00 O ATOM 467 CB LYS A 541 17.099 -1.242 5.699 1.00 0.00 C ATOM 468 CG LYS A 541 18.126 -2.074 6.450 1.00 0.00 C ATOM 469 CD LYS A 541 17.890 -3.562 6.269 1.00 0.00 C ATOM 470 CE LYS A 541 18.875 -4.384 7.082 1.00 0.00 C ATOM 471 NZ LYS A 541 20.285 -4.119 6.687 1.00 0.00 N ATOM 0 H LYS A 541 15.275 0.410 5.252 1.00 0.00 H new ATOM 0 HA LYS A 541 15.318 -2.396 5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 541 17.116 -1.525 4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 541 17.387 -0.192 5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 541 19.126 -1.820 6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 541 18.088 -1.827 7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 541 16.872 -3.809 6.570 1.00 0.00 H new ATOM 0 HD3 LYS A 541 17.982 -3.821 5.214 1.00 0.00 H new ATOM 0 HE2 LYS A 541 18.747 -4.159 8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 541 18.656 -5.444 6.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 20.908 -4.826 7.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 20.372 -4.177 5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 20.562 -3.168 7.005 1.00 0.00 H new ATOM 485 N GLY A 542 15.366 -2.252 8.463 1.00 0.00 N ATOM 486 CA GLY A 542 15.284 -2.155 9.899 1.00 0.00 C ATOM 487 C GLY A 542 16.552 -2.626 10.566 1.00 0.00 C ATOM 488 O GLY A 542 17.422 -3.212 9.918 1.00 0.00 O ATOM 0 H GLY A 542 15.189 -3.182 8.084 1.00 0.00 H new ATOM 0 HA2 GLY A 542 15.087 -1.121 10.183 1.00 0.00 H new ATOM 0 HA3 GLY A 542 14.443 -2.750 10.256 1.00 0.00 H new ATOM 492 N SER A 543 16.666 -2.366 11.857 1.00 0.00 N ATOM 493 CA SER A 543 17.820 -2.802 12.625 1.00 0.00 C ATOM 494 C SER A 543 17.796 -4.316 12.805 1.00 0.00 C ATOM 495 O SER A 543 18.818 -4.936 13.104 1.00 0.00 O ATOM 496 CB SER A 543 17.835 -2.107 13.986 1.00 0.00 C ATOM 497 OG SER A 543 17.746 -0.699 13.837 1.00 0.00 O ATOM 0 H SER A 543 15.970 -1.853 12.398 1.00 0.00 H new ATOM 0 HA SER A 543 18.726 -2.533 12.082 1.00 0.00 H new ATOM 0 HB2 SER A 543 17.002 -2.466 14.591 1.00 0.00 H new ATOM 0 HB3 SER A 543 18.750 -2.363 14.519 1.00 0.00 H new ATOM 0 HG SER A 543 17.756 -0.275 14.721 1.00 0.00 H new ATOM 503 N HIS A 544 16.624 -4.906 12.611 1.00 0.00 N ATOM 504 CA HIS A 544 16.463 -6.343 12.751 1.00 0.00 C ATOM 505 C HIS A 544 16.272 -6.992 11.389 1.00 0.00 C ATOM 506 O HIS A 544 17.061 -7.844 10.985 1.00 0.00 O ATOM 507 CB HIS A 544 15.266 -6.675 13.649 1.00 0.00 C ATOM 508 CG HIS A 544 15.279 -5.973 14.972 1.00 0.00 C ATOM 509 ND1 HIS A 544 16.074 -6.401 16.006 1.00 0.00 N ATOM 510 CD2 HIS A 544 14.578 -4.887 15.375 1.00 0.00 C ATOM 511 CE1 HIS A 544 15.839 -5.571 17.008 1.00 0.00 C ATOM 512 NE2 HIS A 544 14.939 -4.637 16.673 1.00 0.00 N ATOM 0 H HIS A 544 15.771 -4.409 12.356 1.00 0.00 H new ATOM 0 HA HIS A 544 17.368 -6.736 13.213 1.00 0.00 H new ATOM 0 HB2 HIS A 544 14.348 -6.416 13.122 1.00 0.00 H new ATOM 0 HB3 HIS A 544 15.242 -7.751 13.821 1.00 0.00 H new ATOM 0 HD2 HIS A 544 13.869 -4.325 14.785 1.00 0.00 H new ATOM 0 HE1 HIS A 544 16.313 -5.638 17.976 1.00 0.00 H new ATOM 0 HE2 HIS A 544 14.590 -3.886 17.268 1.00 0.00 H new ATOM 520 N ARG A 545 15.232 -6.578 10.674 1.00 0.00 N ATOM 521 CA ARG A 545 14.893 -7.197 9.397 1.00 0.00 C ATOM 522 C ARG A 545 14.432 -6.173 8.369 1.00 0.00 C ATOM 523 O ARG A 545 14.388 -4.972 8.634 1.00 0.00 O ATOM 524 CB ARG A 545 13.786 -8.239 9.580 1.00 0.00 C ATOM 525 CG ARG A 545 14.213 -9.480 10.342 1.00 0.00 C ATOM 526 CD ARG A 545 13.111 -10.524 10.344 1.00 0.00 C ATOM 527 NE ARG A 545 12.793 -10.986 8.993 1.00 0.00 N ATOM 528 CZ ARG A 545 11.746 -11.752 8.689 1.00 0.00 C ATOM 529 NH1 ARG A 545 10.893 -12.132 9.636 1.00 0.00 N ATOM 530 NH2 ARG A 545 11.553 -12.135 7.433 1.00 0.00 N ATOM 0 H ARG A 545 14.611 -5.819 10.955 1.00 0.00 H new ATOM 0 HA ARG A 545 15.802 -7.674 9.031 1.00 0.00 H new ATOM 0 HB2 ARG A 545 12.950 -7.775 10.104 1.00 0.00 H new ATOM 0 HB3 ARG A 545 13.420 -8.538 8.598 1.00 0.00 H new ATOM 0 HG2 ARG A 545 15.113 -9.897 9.890 1.00 0.00 H new ATOM 0 HG3 ARG A 545 14.467 -9.212 11.368 1.00 0.00 H new ATOM 0 HD2 ARG A 545 13.417 -11.373 10.955 1.00 0.00 H new ATOM 0 HD3 ARG A 545 12.216 -10.106 10.804 1.00 0.00 H new ATOM 0 HE ARG A 545 13.413 -10.703 8.234 1.00 0.00 H new ATOM 0 HH11 ARG A 545 11.038 -11.837 10.602 1.00 0.00 H new ATOM 0 HH12 ARG A 545 10.093 -12.718 9.397 1.00 0.00 H new ATOM 0 HH21 ARG A 545 12.205 -11.843 6.705 1.00 0.00 H new ATOM 0 HH22 ARG A 545 10.753 -12.721 7.196 1.00 0.00 H new ATOM 544 N TRP A 546 14.108 -6.679 7.190 1.00 0.00 N ATOM 545 CA TRP A 546 13.541 -5.851 6.137 1.00 0.00 C ATOM 546 C TRP A 546 12.031 -5.792 6.295 1.00 0.00 C ATOM 547 O TRP A 546 11.362 -6.825 6.332 1.00 0.00 O ATOM 548 CB TRP A 546 13.898 -6.397 4.753 1.00 0.00 C ATOM 549 CG TRP A 546 15.254 -5.978 4.281 1.00 0.00 C ATOM 550 CD1 TRP A 546 16.437 -6.617 4.507 1.00 0.00 C ATOM 551 CD2 TRP A 546 15.563 -4.820 3.498 1.00 0.00 C ATOM 552 NE1 TRP A 546 17.464 -5.926 3.914 1.00 0.00 N ATOM 553 CE2 TRP A 546 16.953 -4.820 3.288 1.00 0.00 C ATOM 554 CE3 TRP A 546 14.798 -3.782 2.954 1.00 0.00 C ATOM 555 CZ2 TRP A 546 17.595 -3.824 2.559 1.00 0.00 C ATOM 556 CZ3 TRP A 546 15.438 -2.794 2.229 1.00 0.00 C ATOM 557 CH2 TRP A 546 16.825 -2.822 2.037 1.00 0.00 C ATOM 0 H TRP A 546 14.228 -7.660 6.938 1.00 0.00 H new ATOM 0 HA TRP A 546 13.960 -4.848 6.224 1.00 0.00 H new ATOM 0 HB2 TRP A 546 13.850 -7.486 4.777 1.00 0.00 H new ATOM 0 HB3 TRP A 546 13.151 -6.060 4.034 1.00 0.00 H new ATOM 0 HD1 TRP A 546 16.549 -7.532 5.070 1.00 0.00 H new ATOM 0 HE1 TRP A 546 18.448 -6.193 3.936 1.00 0.00 H new ATOM 0 HE3 TRP A 546 13.728 -3.753 3.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 546 18.665 -3.842 2.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 546 14.859 -1.988 1.804 1.00 0.00 H new ATOM 0 HH2 TRP A 546 17.296 -2.036 1.465 1.00 0.00 H new ATOM 568 N GLN A 547 11.495 -4.587 6.393 1.00 0.00 N ATOM 569 CA GLN A 547 10.059 -4.417 6.545 1.00 0.00 C ATOM 570 C GLN A 547 9.493 -3.480 5.488 1.00 0.00 C ATOM 571 O GLN A 547 10.222 -2.720 4.848 1.00 0.00 O ATOM 572 CB GLN A 547 9.724 -3.880 7.937 1.00 0.00 C ATOM 573 CG GLN A 547 10.083 -2.418 8.119 1.00 0.00 C ATOM 574 CD GLN A 547 9.601 -1.857 9.437 1.00 0.00 C ATOM 575 OE1 GLN A 547 9.550 -2.556 10.448 1.00 0.00 O ATOM 576 NE2 GLN A 547 9.195 -0.601 9.420 1.00 0.00 N ATOM 0 H GLN A 547 12.028 -3.717 6.370 1.00 0.00 H new ATOM 0 HA GLN A 547 9.601 -5.398 6.417 1.00 0.00 H new ATOM 0 HB2 GLN A 547 8.658 -4.011 8.122 1.00 0.00 H new ATOM 0 HB3 GLN A 547 10.252 -4.472 8.684 1.00 0.00 H new ATOM 0 HG2 GLN A 547 11.165 -2.303 8.054 1.00 0.00 H new ATOM 0 HG3 GLN A 547 9.652 -1.838 7.303 1.00 0.00 H new ATOM 0 HE21 GLN A 547 9.255 -0.057 8.559 1.00 0.00 H new ATOM 0 HE22 GLN A 547 8.821 -0.174 10.268 1.00 0.00 H new ATOM 585 N GLY A 548 8.183 -3.531 5.334 1.00 0.00 N ATOM 586 CA GLY A 548 7.498 -2.697 4.379 1.00 0.00 C ATOM 587 C GLY A 548 6.086 -2.416 4.829 1.00 0.00 C ATOM 588 O GLY A 548 5.488 -3.226 5.542 1.00 0.00 O ATOM 0 H GLY A 548 7.572 -4.150 5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 548 8.039 -1.759 4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 548 7.484 -3.187 3.406 1.00 0.00 H new ATOM 592 N GLU A 549 5.549 -1.282 4.425 1.00 0.00 N ATOM 593 CA GLU A 549 4.214 -0.895 4.842 1.00 0.00 C ATOM 594 C GLU A 549 3.450 -0.282 3.685 1.00 0.00 C ATOM 595 O GLU A 549 4.028 0.349 2.799 1.00 0.00 O ATOM 596 CB GLU A 549 4.278 0.088 6.010 1.00 0.00 C ATOM 597 CG GLU A 549 4.793 1.457 5.618 1.00 0.00 C ATOM 598 CD GLU A 549 5.268 2.267 6.803 1.00 0.00 C ATOM 599 OE1 GLU A 549 4.424 2.881 7.491 1.00 0.00 O ATOM 600 OE2 GLU A 549 6.490 2.294 7.058 1.00 0.00 O ATOM 0 H GLU A 549 6.014 -0.614 3.810 1.00 0.00 H new ATOM 0 HA GLU A 549 3.688 -1.792 5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 549 3.283 0.193 6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 549 4.921 -0.325 6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 549 5.614 1.342 4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 549 4.003 2.004 5.104 1.00 0.00 H new ATOM 607 N THR A 550 2.158 -0.490 3.702 1.00 0.00 N ATOM 608 CA THR A 550 1.301 0.011 2.650 1.00 0.00 C ATOM 609 C THR A 550 0.445 1.170 3.146 1.00 0.00 C ATOM 610 O THR A 550 -0.216 1.072 4.178 1.00 0.00 O ATOM 611 CB THR A 550 0.397 -1.096 2.107 1.00 0.00 C ATOM 612 OG1 THR A 550 1.186 -2.122 1.488 1.00 0.00 O ATOM 613 CG2 THR A 550 -0.595 -0.528 1.115 1.00 0.00 C ATOM 0 H THR A 550 1.671 -1.005 4.436 1.00 0.00 H new ATOM 0 HA THR A 550 1.946 0.368 1.847 1.00 0.00 H new ATOM 0 HB THR A 550 -0.155 -1.533 2.939 1.00 0.00 H new ATOM 0 HG1 THR A 550 1.188 -2.921 2.056 1.00 0.00 H new ATOM 0 HG21 THR A 550 -1.231 -1.329 0.738 1.00 0.00 H new ATOM 0 HG22 THR A 550 -1.212 0.224 1.607 1.00 0.00 H new ATOM 0 HG23 THR A 550 -0.058 -0.070 0.285 1.00 0.00 H new ATOM 621 N TRP A 551 0.514 2.281 2.438 1.00 0.00 N ATOM 622 CA TRP A 551 -0.267 3.449 2.787 1.00 0.00 C ATOM 623 C TRP A 551 -1.369 3.687 1.756 1.00 0.00 C ATOM 624 O TRP A 551 -1.224 3.373 0.572 1.00 0.00 O ATOM 625 CB TRP A 551 0.618 4.690 2.901 1.00 0.00 C ATOM 626 CG TRP A 551 1.313 4.798 4.221 1.00 0.00 C ATOM 627 CD1 TRP A 551 2.193 3.908 4.757 1.00 0.00 C ATOM 628 CD2 TRP A 551 1.181 5.858 5.174 1.00 0.00 C ATOM 629 NE1 TRP A 551 2.615 4.344 5.989 1.00 0.00 N ATOM 630 CE2 TRP A 551 2.010 5.542 6.266 1.00 0.00 C ATOM 631 CE3 TRP A 551 0.442 7.043 5.210 1.00 0.00 C ATOM 632 CZ2 TRP A 551 2.120 6.367 7.381 1.00 0.00 C ATOM 633 CZ3 TRP A 551 0.552 7.863 6.317 1.00 0.00 C ATOM 634 CH2 TRP A 551 1.386 7.522 7.389 1.00 0.00 C ATOM 0 H TRP A 551 1.105 2.398 1.615 1.00 0.00 H new ATOM 0 HA TRP A 551 -0.725 3.263 3.758 1.00 0.00 H new ATOM 0 HB2 TRP A 551 1.363 4.671 2.106 1.00 0.00 H new ATOM 0 HB3 TRP A 551 0.008 5.579 2.745 1.00 0.00 H new ATOM 0 HD1 TRP A 551 2.513 2.992 4.282 1.00 0.00 H new ATOM 0 HE1 TRP A 551 3.271 3.856 6.598 1.00 0.00 H new ATOM 0 HE3 TRP A 551 -0.204 7.313 4.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 2.761 6.105 8.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 -0.014 8.782 6.356 1.00 0.00 H new ATOM 0 HH2 TRP A 551 1.451 8.184 8.240 1.00 0.00 H new ATOM 645 N TYR A 552 -2.460 4.241 2.244 1.00 0.00 N ATOM 646 CA TYR A 552 -3.603 4.583 1.402 1.00 0.00 C ATOM 647 C TYR A 552 -4.058 6.006 1.677 1.00 0.00 C ATOM 648 O TYR A 552 -3.860 6.529 2.773 1.00 0.00 O ATOM 649 CB TYR A 552 -4.774 3.622 1.642 1.00 0.00 C ATOM 650 CG TYR A 552 -4.773 2.363 0.790 1.00 0.00 C ATOM 651 CD1 TYR A 552 -4.069 1.228 1.175 1.00 0.00 C ATOM 652 CD2 TYR A 552 -5.516 2.300 -0.384 1.00 0.00 C ATOM 653 CE1 TYR A 552 -4.101 0.076 0.417 1.00 0.00 C ATOM 654 CE2 TYR A 552 -5.556 1.145 -1.144 1.00 0.00 C ATOM 655 CZ TYR A 552 -4.848 0.037 -0.737 1.00 0.00 C ATOM 656 OH TYR A 552 -4.883 -1.116 -1.490 1.00 0.00 O ATOM 0 H TYR A 552 -2.586 4.469 3.230 1.00 0.00 H new ATOM 0 HA TYR A 552 -3.284 4.497 0.363 1.00 0.00 H new ATOM 0 HB2 TYR A 552 -4.771 3.329 2.692 1.00 0.00 H new ATOM 0 HB3 TYR A 552 -5.705 4.160 1.463 1.00 0.00 H new ATOM 0 HD1 TYR A 552 -3.486 1.248 2.084 1.00 0.00 H new ATOM 0 HD2 TYR A 552 -6.071 3.168 -0.708 1.00 0.00 H new ATOM 0 HE1 TYR A 552 -3.541 -0.793 0.729 1.00 0.00 H new ATOM 0 HE2 TYR A 552 -6.140 1.113 -2.052 1.00 0.00 H new ATOM 0 HH TYR A 552 -5.457 -0.978 -2.272 1.00 0.00 H new ATOM 666 N TYR A 553 -4.666 6.640 0.688 1.00 0.00 N ATOM 667 CA TYR A 553 -5.137 8.006 0.841 1.00 0.00 C ATOM 668 C TYR A 553 -6.532 8.154 0.249 1.00 0.00 C ATOM 669 O TYR A 553 -6.785 7.717 -0.876 1.00 0.00 O ATOM 670 CB TYR A 553 -4.163 8.967 0.149 1.00 0.00 C ATOM 671 CG TYR A 553 -2.712 8.713 0.502 1.00 0.00 C ATOM 672 CD1 TYR A 553 -2.130 9.306 1.614 1.00 0.00 C ATOM 673 CD2 TYR A 553 -1.930 7.862 -0.270 1.00 0.00 C ATOM 674 CE1 TYR A 553 -0.811 9.059 1.946 1.00 0.00 C ATOM 675 CE2 TYR A 553 -0.613 7.612 0.055 1.00 0.00 C ATOM 676 CZ TYR A 553 -0.058 8.211 1.164 1.00 0.00 C ATOM 677 OH TYR A 553 1.255 7.962 1.491 1.00 0.00 O ATOM 0 H TYR A 553 -4.845 6.231 -0.229 1.00 0.00 H new ATOM 0 HA TYR A 553 -5.186 8.249 1.903 1.00 0.00 H new ATOM 0 HB2 TYR A 553 -4.286 8.882 -0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 553 -4.421 9.991 0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 553 -2.717 9.971 2.230 1.00 0.00 H new ATOM 0 HD2 TYR A 553 -2.361 7.388 -1.140 1.00 0.00 H new ATOM 0 HE1 TYR A 553 -0.373 9.529 2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 553 -0.020 6.949 -0.558 1.00 0.00 H new ATOM 0 HH TYR A 553 1.643 7.342 0.838 1.00 0.00 H new ATOM 687 N GLY A 554 -7.434 8.748 1.021 1.00 0.00 N ATOM 688 CA GLY A 554 -8.787 8.970 0.553 1.00 0.00 C ATOM 689 C GLY A 554 -8.850 10.012 -0.548 1.00 0.00 C ATOM 690 O GLY A 554 -8.225 11.067 -0.440 1.00 0.00 O ATOM 0 H GLY A 554 -7.250 9.081 1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 554 -9.201 8.031 0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 554 -9.411 9.289 1.388 1.00 0.00 H new ATOM 694 N PRO A 555 -9.612 9.748 -1.617 1.00 0.00 N ATOM 695 CA PRO A 555 -9.704 10.649 -2.773 1.00 0.00 C ATOM 696 C PRO A 555 -10.500 11.915 -2.466 1.00 0.00 C ATOM 697 O PRO A 555 -10.476 12.881 -3.228 1.00 0.00 O ATOM 698 CB PRO A 555 -10.438 9.804 -3.816 1.00 0.00 C ATOM 699 CG PRO A 555 -11.254 8.847 -3.020 1.00 0.00 C ATOM 700 CD PRO A 555 -10.446 8.543 -1.790 1.00 0.00 C ATOM 0 HA PRO A 555 -8.723 11.001 -3.093 1.00 0.00 H new ATOM 0 HB2 PRO A 555 -11.066 10.423 -4.456 1.00 0.00 H new ATOM 0 HB3 PRO A 555 -9.737 9.281 -4.467 1.00 0.00 H new ATOM 0 HG2 PRO A 555 -12.219 9.281 -2.757 1.00 0.00 H new ATOM 0 HG3 PRO A 555 -11.457 7.939 -3.588 1.00 0.00 H new ATOM 0 HD2 PRO A 555 -11.084 8.369 -0.924 1.00 0.00 H new ATOM 0 HD3 PRO A 555 -9.837 7.649 -1.921 1.00 0.00 H new ATOM 708 N CYS A 556 -11.200 11.902 -1.343 1.00 0.00 N ATOM 709 CA CYS A 556 -12.075 13.004 -0.972 1.00 0.00 C ATOM 710 C CYS A 556 -11.905 13.363 0.497 1.00 0.00 C ATOM 711 O CYS A 556 -12.638 14.200 1.027 1.00 0.00 O ATOM 712 CB CYS A 556 -13.534 12.632 -1.242 1.00 0.00 C ATOM 713 SG CYS A 556 -13.848 12.019 -2.914 1.00 0.00 S ATOM 0 H CYS A 556 -11.179 11.137 -0.669 1.00 0.00 H new ATOM 0 HA CYS A 556 -11.802 13.869 -1.576 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -13.841 11.871 -0.525 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -14.159 13.508 -1.065 1.00 0.00 H new ATOM 0 HG CYS A 556 -15.109 11.730 -3.041 1.00 0.00 H new ATOM 719 N GLY A 557 -10.940 12.741 1.161 1.00 0.00 N ATOM 720 CA GLY A 557 -10.877 12.853 2.599 1.00 0.00 C ATOM 721 C GLY A 557 -9.505 12.551 3.162 1.00 0.00 C ATOM 722 O GLY A 557 -8.484 12.813 2.523 1.00 0.00 O ATOM 0 H GLY A 557 -10.211 12.169 0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -11.168 13.862 2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -11.602 12.171 3.042 1.00 0.00 H new ATOM 726 N LYS A 558 -9.500 11.982 4.357 1.00 0.00 N ATOM 727 CA LYS A 558 -8.268 11.725 5.097 1.00 0.00 C ATOM 728 C LYS A 558 -7.501 10.536 4.520 1.00 0.00 C ATOM 729 O LYS A 558 -7.916 9.933 3.531 1.00 0.00 O ATOM 730 CB LYS A 558 -8.570 11.489 6.582 1.00 0.00 C ATOM 731 CG LYS A 558 -9.187 10.134 6.912 1.00 0.00 C ATOM 732 CD LYS A 558 -10.658 10.069 6.546 1.00 0.00 C ATOM 733 CE LYS A 558 -11.422 9.149 7.486 1.00 0.00 C ATOM 734 NZ LYS A 558 -10.737 7.842 7.672 1.00 0.00 N ATOM 0 H LYS A 558 -10.346 11.685 4.843 1.00 0.00 H new ATOM 0 HA LYS A 558 -7.638 12.609 4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 558 -7.643 11.595 7.146 1.00 0.00 H new ATOM 0 HB3 LYS A 558 -9.245 12.272 6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 558 -8.647 9.351 6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 558 -9.070 9.933 7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 558 -11.089 11.070 6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 558 -10.764 9.714 5.521 1.00 0.00 H new ATOM 0 HE2 LYS A 558 -11.539 9.637 8.454 1.00 0.00 H new ATOM 0 HE3 LYS A 558 -12.424 8.979 7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 558 -11.444 7.103 7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 558 -10.205 7.604 6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 558 -10.082 7.905 8.478 1.00 0.00 H new ATOM 748 N ARG A 559 -6.384 10.196 5.151 1.00 0.00 N ATOM 749 CA ARG A 559 -5.563 9.088 4.691 1.00 0.00 C ATOM 750 C ARG A 559 -5.467 8.013 5.763 1.00 0.00 C ATOM 751 O ARG A 559 -5.422 8.310 6.958 1.00 0.00 O ATOM 752 CB ARG A 559 -4.158 9.553 4.271 1.00 0.00 C ATOM 753 CG ARG A 559 -3.227 9.945 5.416 1.00 0.00 C ATOM 754 CD ARG A 559 -3.552 11.322 5.978 1.00 0.00 C ATOM 755 NE ARG A 559 -3.498 12.359 4.947 1.00 0.00 N ATOM 756 CZ ARG A 559 -4.245 13.462 4.952 1.00 0.00 C ATOM 757 NH1 ARG A 559 -5.104 13.687 5.938 1.00 0.00 N ATOM 758 NH2 ARG A 559 -4.125 14.343 3.968 1.00 0.00 N ATOM 0 H ARG A 559 -6.028 10.671 5.980 1.00 0.00 H new ATOM 0 HA ARG A 559 -6.048 8.667 3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -3.686 8.755 3.699 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -4.262 10.407 3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -3.301 9.204 6.212 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -2.196 9.933 5.063 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -4.546 11.306 6.425 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -2.848 11.565 6.774 1.00 0.00 H new ATOM 0 HE ARG A 559 -2.846 12.229 4.174 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -5.195 13.013 6.698 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -5.673 14.534 5.936 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -3.463 14.175 3.211 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -4.695 15.189 3.968 1.00 0.00 H new ATOM 772 N MET A 560 -5.469 6.768 5.321 1.00 0.00 N ATOM 773 CA MET A 560 -5.404 5.638 6.231 1.00 0.00 C ATOM 774 C MET A 560 -4.323 4.659 5.806 1.00 0.00 C ATOM 775 O MET A 560 -4.017 4.531 4.626 1.00 0.00 O ATOM 776 CB MET A 560 -6.753 4.912 6.307 1.00 0.00 C ATOM 777 CG MET A 560 -7.912 5.774 6.802 1.00 0.00 C ATOM 778 SD MET A 560 -8.574 6.892 5.545 1.00 0.00 S ATOM 779 CE MET A 560 -8.890 5.746 4.206 1.00 0.00 C ATOM 0 H MET A 560 -5.515 6.513 4.334 1.00 0.00 H new ATOM 0 HA MET A 560 -5.159 6.029 7.218 1.00 0.00 H new ATOM 0 HB2 MET A 560 -7.000 4.528 5.317 1.00 0.00 H new ATOM 0 HB3 MET A 560 -6.650 4.051 6.967 1.00 0.00 H new ATOM 0 HG2 MET A 560 -8.712 5.123 7.155 1.00 0.00 H new ATOM 0 HG3 MET A 560 -7.577 6.361 7.658 1.00 0.00 H new ATOM 0 HE1 MET A 560 -9.707 6.122 3.591 1.00 0.00 H new ATOM 0 HE2 MET A 560 -7.993 5.644 3.595 1.00 0.00 H new ATOM 0 HE3 MET A 560 -9.162 4.773 4.616 1.00 0.00 H new ATOM 789 N LYS A 561 -3.756 3.960 6.770 1.00 0.00 N ATOM 790 CA LYS A 561 -2.790 2.918 6.479 1.00 0.00 C ATOM 791 C LYS A 561 -3.053 1.707 7.367 1.00 0.00 C ATOM 792 O LYS A 561 -2.253 0.773 7.439 1.00 0.00 O ATOM 793 CB LYS A 561 -1.349 3.424 6.619 1.00 0.00 C ATOM 794 CG LYS A 561 -1.019 4.120 7.935 1.00 0.00 C ATOM 795 CD LYS A 561 -0.701 3.141 9.052 1.00 0.00 C ATOM 796 CE LYS A 561 0.540 2.312 8.751 1.00 0.00 C ATOM 797 NZ LYS A 561 0.966 1.510 9.929 1.00 0.00 N ATOM 0 H LYS A 561 -3.948 4.095 7.763 1.00 0.00 H new ATOM 0 HA LYS A 561 -2.910 2.616 5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 561 -0.673 2.578 6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 561 -1.145 4.116 5.802 1.00 0.00 H new ATOM 0 HG2 LYS A 561 -0.168 4.784 7.786 1.00 0.00 H new ATOM 0 HG3 LYS A 561 -1.862 4.744 8.233 1.00 0.00 H new ATOM 0 HD2 LYS A 561 -0.553 3.689 9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 561 -1.552 2.477 9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 561 0.338 1.647 7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 561 1.353 2.971 8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 1.445 0.645 9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 1.620 2.070 10.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 0.132 1.253 10.494 1.00 0.00 H new ATOM 811 N GLN A 562 -4.199 1.740 8.034 1.00 0.00 N ATOM 812 CA GLN A 562 -4.666 0.623 8.833 1.00 0.00 C ATOM 813 C GLN A 562 -5.971 0.105 8.253 1.00 0.00 C ATOM 814 O GLN A 562 -6.786 0.884 7.755 1.00 0.00 O ATOM 815 CB GLN A 562 -4.897 1.056 10.282 1.00 0.00 C ATOM 816 CG GLN A 562 -3.667 1.617 10.974 1.00 0.00 C ATOM 817 CD GLN A 562 -2.569 0.588 11.174 1.00 0.00 C ATOM 818 OE1 GLN A 562 -1.385 0.917 11.156 1.00 0.00 O ATOM 819 NE2 GLN A 562 -2.948 -0.658 11.394 1.00 0.00 N ATOM 0 H GLN A 562 -4.828 2.543 8.034 1.00 0.00 H new ATOM 0 HA GLN A 562 -3.909 -0.161 8.817 1.00 0.00 H new ATOM 0 HB2 GLN A 562 -5.685 1.809 10.302 1.00 0.00 H new ATOM 0 HB3 GLN A 562 -5.260 0.200 10.851 1.00 0.00 H new ATOM 0 HG2 GLN A 562 -3.275 2.447 10.386 1.00 0.00 H new ATOM 0 HG3 GLN A 562 -3.957 2.022 11.944 1.00 0.00 H new ATOM 0 HE21 GLN A 562 -3.940 -0.895 11.402 1.00 0.00 H new ATOM 0 HE22 GLN A 562 -2.249 -1.383 11.556 1.00 0.00 H new ATOM 828 N PHE A 563 -6.171 -1.199 8.331 1.00 0.00 N ATOM 829 CA PHE A 563 -7.399 -1.818 7.849 1.00 0.00 C ATOM 830 C PHE A 563 -8.633 -1.272 8.581 1.00 0.00 C ATOM 831 O PHE A 563 -9.599 -0.867 7.935 1.00 0.00 O ATOM 832 CB PHE A 563 -7.321 -3.337 7.998 1.00 0.00 C ATOM 833 CG PHE A 563 -8.449 -4.067 7.328 1.00 0.00 C ATOM 834 CD1 PHE A 563 -8.803 -3.769 6.022 1.00 0.00 C ATOM 835 CD2 PHE A 563 -9.142 -5.062 7.995 1.00 0.00 C ATOM 836 CE1 PHE A 563 -9.826 -4.450 5.395 1.00 0.00 C ATOM 837 CE2 PHE A 563 -10.169 -5.742 7.374 1.00 0.00 C ATOM 838 CZ PHE A 563 -10.511 -5.439 6.072 1.00 0.00 C ATOM 0 H PHE A 563 -5.497 -1.855 8.725 1.00 0.00 H new ATOM 0 HA PHE A 563 -7.504 -1.569 6.793 1.00 0.00 H new ATOM 0 HB2 PHE A 563 -6.376 -3.686 7.582 1.00 0.00 H new ATOM 0 HB3 PHE A 563 -7.315 -3.590 9.058 1.00 0.00 H new ATOM 0 HD1 PHE A 563 -8.272 -2.995 5.489 1.00 0.00 H new ATOM 0 HD2 PHE A 563 -8.876 -5.309 9.012 1.00 0.00 H new ATOM 0 HE1 PHE A 563 -10.091 -4.210 4.376 1.00 0.00 H new ATOM 0 HE2 PHE A 563 -10.706 -6.512 7.907 1.00 0.00 H new ATOM 0 HZ PHE A 563 -11.312 -5.974 5.584 1.00 0.00 H new ATOM 848 N PRO A 564 -8.618 -1.221 9.935 1.00 0.00 N ATOM 849 CA PRO A 564 -9.758 -0.720 10.718 1.00 0.00 C ATOM 850 C PRO A 564 -10.042 0.755 10.451 1.00 0.00 C ATOM 851 O PRO A 564 -11.098 1.271 10.813 1.00 0.00 O ATOM 852 CB PRO A 564 -9.322 -0.923 12.171 1.00 0.00 C ATOM 853 CG PRO A 564 -7.838 -0.980 12.113 1.00 0.00 C ATOM 854 CD PRO A 564 -7.511 -1.644 10.814 1.00 0.00 C ATOM 0 HA PRO A 564 -10.681 -1.241 10.462 1.00 0.00 H new ATOM 0 HB2 PRO A 564 -9.663 -0.104 12.805 1.00 0.00 H new ATOM 0 HB3 PRO A 564 -9.738 -1.841 12.585 1.00 0.00 H new ATOM 0 HG2 PRO A 564 -7.405 0.019 12.162 1.00 0.00 H new ATOM 0 HG3 PRO A 564 -7.434 -1.544 12.954 1.00 0.00 H new ATOM 0 HD2 PRO A 564 -6.544 -1.321 10.428 1.00 0.00 H new ATOM 0 HD3 PRO A 564 -7.468 -2.728 10.915 1.00 0.00 H new ATOM 862 N GLU A 565 -9.106 1.423 9.789 1.00 0.00 N ATOM 863 CA GLU A 565 -9.264 2.817 9.404 1.00 0.00 C ATOM 864 C GLU A 565 -9.911 2.932 8.026 1.00 0.00 C ATOM 865 O GLU A 565 -10.523 3.947 7.688 1.00 0.00 O ATOM 866 CB GLU A 565 -7.910 3.519 9.428 1.00 0.00 C ATOM 867 CG GLU A 565 -7.274 3.548 10.808 1.00 0.00 C ATOM 868 CD GLU A 565 -8.086 4.340 11.806 1.00 0.00 C ATOM 869 OE1 GLU A 565 -8.233 5.565 11.615 1.00 0.00 O ATOM 870 OE2 GLU A 565 -8.564 3.747 12.793 1.00 0.00 O ATOM 0 H GLU A 565 -8.217 1.013 9.505 1.00 0.00 H new ATOM 0 HA GLU A 565 -9.924 3.304 10.122 1.00 0.00 H new ATOM 0 HB2 GLU A 565 -7.235 3.017 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 565 -8.032 4.541 9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 565 -7.155 2.527 11.171 1.00 0.00 H new ATOM 0 HG3 GLU A 565 -6.275 3.978 10.735 1.00 0.00 H new ATOM 877 N VAL A 566 -9.741 1.903 7.223 1.00 0.00 N ATOM 878 CA VAL A 566 -10.359 1.868 5.909 1.00 0.00 C ATOM 879 C VAL A 566 -11.839 1.505 6.028 1.00 0.00 C ATOM 880 O VAL A 566 -12.696 2.152 5.423 1.00 0.00 O ATOM 881 CB VAL A 566 -9.627 0.897 4.955 1.00 0.00 C ATOM 882 CG1 VAL A 566 -10.444 0.646 3.694 1.00 0.00 C ATOM 883 CG2 VAL A 566 -8.251 1.454 4.596 1.00 0.00 C ATOM 0 H VAL A 566 -9.183 1.081 7.453 1.00 0.00 H new ATOM 0 HA VAL A 566 -10.277 2.865 5.476 1.00 0.00 H new ATOM 0 HB VAL A 566 -9.502 -0.057 5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 566 -9.904 -0.041 3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 566 -11.406 0.210 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 566 -10.607 1.589 3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 566 -7.743 0.763 3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 566 -8.366 2.420 4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 566 -7.660 1.577 5.504 1.00 0.00 H new ATOM 893 N ILE A 567 -12.131 0.490 6.842 1.00 0.00 N ATOM 894 CA ILE A 567 -13.512 0.030 7.058 1.00 0.00 C ATOM 895 C ILE A 567 -14.401 1.161 7.579 1.00 0.00 C ATOM 896 O ILE A 567 -15.586 1.244 7.251 1.00 0.00 O ATOM 897 CB ILE A 567 -13.580 -1.145 8.057 1.00 0.00 C ATOM 898 CG1 ILE A 567 -12.433 -2.122 7.818 1.00 0.00 C ATOM 899 CG2 ILE A 567 -14.913 -1.871 7.924 1.00 0.00 C ATOM 900 CD1 ILE A 567 -12.379 -2.646 6.406 1.00 0.00 C ATOM 0 H ILE A 567 -11.430 -0.034 7.366 1.00 0.00 H new ATOM 0 HA ILE A 567 -13.874 -0.306 6.086 1.00 0.00 H new ATOM 0 HB ILE A 567 -13.491 -0.742 9.066 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -11.490 -1.628 8.051 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -12.531 -2.962 8.506 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -14.949 -2.698 8.633 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -15.727 -1.177 8.133 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -15.017 -2.258 6.910 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.540 -3.335 6.305 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -13.308 -3.169 6.176 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -12.250 -1.814 5.714 1.00 0.00 H new ATOM 912 N LYS A 568 -13.807 2.052 8.355 1.00 0.00 N ATOM 913 CA LYS A 568 -14.562 3.171 8.896 1.00 0.00 C ATOM 914 C LYS A 568 -14.851 4.202 7.817 1.00 0.00 C ATOM 915 O LYS A 568 -15.926 4.788 7.793 1.00 0.00 O ATOM 916 CB LYS A 568 -13.865 3.805 10.101 1.00 0.00 C ATOM 917 CG LYS A 568 -12.430 4.198 9.844 1.00 0.00 C ATOM 918 CD LYS A 568 -11.779 4.848 11.059 1.00 0.00 C ATOM 919 CE LYS A 568 -11.732 3.917 12.263 1.00 0.00 C ATOM 920 NZ LYS A 568 -12.961 4.008 13.101 1.00 0.00 N ATOM 0 H LYS A 568 -12.823 2.025 8.621 1.00 0.00 H new ATOM 0 HA LYS A 568 -15.514 2.779 9.253 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -14.424 4.689 10.407 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -13.895 3.104 10.935 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -11.860 3.314 9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -12.391 4.888 9.001 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -10.766 5.157 10.803 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -12.330 5.751 11.323 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -11.605 2.890 11.920 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -10.861 4.160 12.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -12.694 4.191 14.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -13.561 4.784 12.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -13.487 3.112 13.045 1.00 0.00 H new ATOM 934 N TYR A 569 -13.902 4.407 6.907 1.00 0.00 N ATOM 935 CA TYR A 569 -14.061 5.377 5.833 1.00 0.00 C ATOM 936 C TYR A 569 -15.219 4.967 4.936 1.00 0.00 C ATOM 937 O TYR A 569 -16.028 5.799 4.527 1.00 0.00 O ATOM 938 CB TYR A 569 -12.768 5.477 5.013 1.00 0.00 C ATOM 939 CG TYR A 569 -12.771 6.580 3.974 1.00 0.00 C ATOM 940 CD1 TYR A 569 -13.391 6.405 2.742 1.00 0.00 C ATOM 941 CD2 TYR A 569 -12.140 7.791 4.223 1.00 0.00 C ATOM 942 CE1 TYR A 569 -13.385 7.406 1.788 1.00 0.00 C ATOM 943 CE2 TYR A 569 -12.127 8.801 3.280 1.00 0.00 C ATOM 944 CZ TYR A 569 -12.751 8.604 2.061 1.00 0.00 C ATOM 945 OH TYR A 569 -12.740 9.604 1.113 1.00 0.00 O ATOM 0 H TYR A 569 -13.011 3.910 6.895 1.00 0.00 H new ATOM 0 HA TYR A 569 -14.275 6.354 6.267 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -11.932 5.637 5.694 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -12.594 4.524 4.513 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -13.886 5.470 2.526 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -11.650 7.947 5.172 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -13.872 7.253 0.836 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -11.633 9.738 3.493 1.00 0.00 H new ATOM 0 HH TYR A 569 -12.255 10.380 1.462 1.00 0.00 H new ATOM 955 N LEU A 570 -15.295 3.674 4.656 1.00 0.00 N ATOM 956 CA LEU A 570 -16.345 3.124 3.809 1.00 0.00 C ATOM 957 C LEU A 570 -17.697 3.235 4.506 1.00 0.00 C ATOM 958 O LEU A 570 -18.738 3.351 3.864 1.00 0.00 O ATOM 959 CB LEU A 570 -16.044 1.661 3.492 1.00 0.00 C ATOM 960 CG LEU A 570 -14.604 1.375 3.057 1.00 0.00 C ATOM 961 CD1 LEU A 570 -14.427 -0.093 2.722 1.00 0.00 C ATOM 962 CD2 LEU A 570 -14.212 2.246 1.874 1.00 0.00 C ATOM 0 H LEU A 570 -14.635 2.980 5.007 1.00 0.00 H new ATOM 0 HA LEU A 570 -16.380 3.692 2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.267 1.061 4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.718 1.330 2.702 1.00 0.00 H new ATOM 0 HG LEU A 570 -13.945 1.618 3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -13.397 -0.275 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -14.656 -0.697 3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -15.101 -0.365 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -13.185 2.024 1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -14.878 2.042 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -14.291 3.297 2.154 1.00 0.00 H new ATOM 974 N SER A 571 -17.666 3.163 5.829 1.00 0.00 N ATOM 975 CA SER A 571 -18.861 3.321 6.640 1.00 0.00 C ATOM 976 C SER A 571 -19.309 4.788 6.676 1.00 0.00 C ATOM 977 O SER A 571 -20.497 5.091 6.539 1.00 0.00 O ATOM 978 CB SER A 571 -18.590 2.804 8.059 1.00 0.00 C ATOM 979 OG SER A 571 -19.738 2.903 8.883 1.00 0.00 O ATOM 0 H SER A 571 -16.816 2.994 6.367 1.00 0.00 H new ATOM 0 HA SER A 571 -19.668 2.739 6.195 1.00 0.00 H new ATOM 0 HB2 SER A 571 -18.265 1.765 8.011 1.00 0.00 H new ATOM 0 HB3 SER A 571 -17.773 3.373 8.503 1.00 0.00 H new ATOM 0 HG SER A 571 -19.528 2.563 9.778 1.00 0.00 H new ATOM 985 N ARG A 572 -18.345 5.688 6.847 1.00 0.00 N ATOM 986 CA ARG A 572 -18.618 7.121 6.979 1.00 0.00 C ATOM 987 C ARG A 572 -19.063 7.736 5.657 1.00 0.00 C ATOM 988 O ARG A 572 -19.908 8.630 5.628 1.00 0.00 O ATOM 989 CB ARG A 572 -17.361 7.841 7.482 1.00 0.00 C ATOM 990 CG ARG A 572 -16.928 7.391 8.865 1.00 0.00 C ATOM 991 CD ARG A 572 -15.474 7.734 9.155 1.00 0.00 C ATOM 992 NE ARG A 572 -15.207 9.171 9.124 1.00 0.00 N ATOM 993 CZ ARG A 572 -14.608 9.837 10.111 1.00 0.00 C ATOM 994 NH1 ARG A 572 -14.320 9.227 11.254 1.00 0.00 N ATOM 995 NH2 ARG A 572 -14.325 11.121 9.965 1.00 0.00 N ATOM 0 H ARG A 572 -17.355 5.449 6.898 1.00 0.00 H new ATOM 0 HA ARG A 572 -19.431 7.241 7.695 1.00 0.00 H new ATOM 0 HB2 ARG A 572 -16.546 7.669 6.779 1.00 0.00 H new ATOM 0 HB3 ARG A 572 -17.547 8.915 7.498 1.00 0.00 H new ATOM 0 HG2 ARG A 572 -17.566 7.860 9.614 1.00 0.00 H new ATOM 0 HG3 ARG A 572 -17.070 6.314 8.955 1.00 0.00 H new ATOM 0 HD2 ARG A 572 -15.203 7.341 10.135 1.00 0.00 H new ATOM 0 HD3 ARG A 572 -14.837 7.236 8.424 1.00 0.00 H new ATOM 0 HE ARG A 572 -15.496 9.695 8.298 1.00 0.00 H new ATOM 0 HH11 ARG A 572 -14.557 8.243 11.381 1.00 0.00 H new ATOM 0 HH12 ARG A 572 -13.862 9.742 12.006 1.00 0.00 H new ATOM 0 HH21 ARG A 572 -14.565 11.601 9.098 1.00 0.00 H new ATOM 0 HH22 ARG A 572 -13.867 11.631 10.720 1.00 0.00 H new ATOM 1009 N ASN A 573 -18.492 7.256 4.567 1.00 0.00 N ATOM 1010 CA ASN A 573 -18.759 7.822 3.252 1.00 0.00 C ATOM 1011 C ASN A 573 -19.566 6.847 2.415 1.00 0.00 C ATOM 1012 O ASN A 573 -19.678 5.674 2.763 1.00 0.00 O ATOM 1013 CB ASN A 573 -17.444 8.148 2.539 1.00 0.00 C ATOM 1014 CG ASN A 573 -16.583 9.123 3.318 1.00 0.00 C ATOM 1015 OD1 ASN A 573 -16.646 10.334 3.109 1.00 0.00 O ATOM 1016 ND2 ASN A 573 -15.785 8.602 4.239 1.00 0.00 N ATOM 0 H ASN A 573 -17.838 6.473 4.564 1.00 0.00 H new ATOM 0 HA ASN A 573 -19.332 8.740 3.380 1.00 0.00 H new ATOM 0 HB2 ASN A 573 -16.886 7.226 2.376 1.00 0.00 H new ATOM 0 HB3 ASN A 573 -17.662 8.567 1.557 1.00 0.00 H new ATOM 0 HD21 ASN A 573 -15.194 9.211 4.805 1.00 0.00 H new ATOM 0 HD22 ASN A 573 -15.762 7.592 4.382 1.00 0.00 H new ATOM 1023 N VAL A 574 -20.135 7.322 1.321 1.00 0.00 N ATOM 1024 CA VAL A 574 -20.858 6.442 0.421 1.00 0.00 C ATOM 1025 C VAL A 574 -19.925 5.951 -0.674 1.00 0.00 C ATOM 1026 O VAL A 574 -19.411 6.741 -1.465 1.00 0.00 O ATOM 1027 CB VAL A 574 -22.075 7.148 -0.218 1.00 0.00 C ATOM 1028 CG1 VAL A 574 -22.840 6.197 -1.128 1.00 0.00 C ATOM 1029 CG2 VAL A 574 -22.990 7.714 0.857 1.00 0.00 C ATOM 0 H VAL A 574 -20.111 8.301 1.037 1.00 0.00 H new ATOM 0 HA VAL A 574 -21.227 5.600 1.006 1.00 0.00 H new ATOM 0 HB VAL A 574 -21.706 7.974 -0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -23.692 6.718 -1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -22.182 5.846 -1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -23.195 5.345 -0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -23.841 8.207 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -23.346 6.905 1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -22.440 8.436 1.460 1.00 0.00 H new ATOM 1039 N VAL A 575 -19.705 4.645 -0.706 1.00 0.00 N ATOM 1040 CA VAL A 575 -18.830 4.029 -1.693 1.00 0.00 C ATOM 1041 C VAL A 575 -19.436 2.701 -2.132 1.00 0.00 C ATOM 1042 O VAL A 575 -20.018 1.985 -1.318 1.00 0.00 O ATOM 1043 CB VAL A 575 -17.403 3.779 -1.133 1.00 0.00 C ATOM 1044 CG1 VAL A 575 -16.458 3.322 -2.231 1.00 0.00 C ATOM 1045 CG2 VAL A 575 -16.840 5.021 -0.465 1.00 0.00 C ATOM 0 H VAL A 575 -20.126 3.985 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 575 -18.740 4.713 -2.537 1.00 0.00 H new ATOM 0 HB VAL A 575 -17.489 2.991 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 575 -15.466 3.154 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 575 -16.829 2.395 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 575 -16.400 4.089 -3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 575 -15.841 4.809 -0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 575 -16.787 5.832 -1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 575 -17.487 5.315 0.361 1.00 0.00 H new ATOM 1055 N HIS A 576 -19.319 2.380 -3.412 1.00 0.00 N ATOM 1056 CA HIS A 576 -19.900 1.151 -3.941 1.00 0.00 C ATOM 1057 C HIS A 576 -18.937 0.452 -4.897 1.00 0.00 C ATOM 1058 O HIS A 576 -18.886 -0.776 -4.949 1.00 0.00 O ATOM 1059 CB HIS A 576 -21.221 1.462 -4.653 1.00 0.00 C ATOM 1060 CG HIS A 576 -21.926 0.255 -5.195 1.00 0.00 C ATOM 1061 ND1 HIS A 576 -22.213 0.136 -6.534 1.00 0.00 N ATOM 1062 CD2 HIS A 576 -22.385 -0.841 -4.545 1.00 0.00 C ATOM 1063 CE1 HIS A 576 -22.837 -1.023 -6.667 1.00 0.00 C ATOM 1064 NE2 HIS A 576 -22.963 -1.648 -5.489 1.00 0.00 N ATOM 0 H HIS A 576 -18.830 2.949 -4.102 1.00 0.00 H new ATOM 0 HA HIS A 576 -20.092 0.477 -3.106 1.00 0.00 H new ATOM 0 HB2 HIS A 576 -21.885 1.974 -3.956 1.00 0.00 H new ATOM 0 HB3 HIS A 576 -21.025 2.153 -5.473 1.00 0.00 H new ATOM 0 HD2 HIS A 576 -22.310 -1.040 -3.486 1.00 0.00 H new ATOM 0 HE1 HIS A 576 -23.199 -1.415 -7.606 1.00 0.00 H new ATOM 0 HE2 HIS A 576 -23.405 -2.553 -5.326 1.00 0.00 H new ATOM 1072 N SER A 577 -18.166 1.236 -5.635 1.00 0.00 N ATOM 1073 CA SER A 577 -17.252 0.693 -6.627 1.00 0.00 C ATOM 1074 C SER A 577 -16.105 -0.062 -5.963 1.00 0.00 C ATOM 1075 O SER A 577 -15.657 -1.094 -6.464 1.00 0.00 O ATOM 1076 CB SER A 577 -16.712 1.825 -7.491 1.00 0.00 C ATOM 1077 OG SER A 577 -17.778 2.546 -8.086 1.00 0.00 O ATOM 0 H SER A 577 -18.156 2.254 -5.565 1.00 0.00 H new ATOM 0 HA SER A 577 -17.796 -0.014 -7.253 1.00 0.00 H new ATOM 0 HB2 SER A 577 -16.105 2.496 -6.884 1.00 0.00 H new ATOM 0 HB3 SER A 577 -16.061 1.420 -8.266 1.00 0.00 H new ATOM 0 HG SER A 577 -17.415 3.271 -8.637 1.00 0.00 H new ATOM 1083 N VAL A 578 -15.640 0.451 -4.835 1.00 0.00 N ATOM 1084 CA VAL A 578 -14.600 -0.227 -4.080 1.00 0.00 C ATOM 1085 C VAL A 578 -15.059 -0.578 -2.671 1.00 0.00 C ATOM 1086 O VAL A 578 -15.681 0.229 -1.979 1.00 0.00 O ATOM 1087 CB VAL A 578 -13.283 0.587 -4.040 1.00 0.00 C ATOM 1088 CG1 VAL A 578 -12.588 0.520 -5.388 1.00 0.00 C ATOM 1089 CG2 VAL A 578 -13.530 2.041 -3.657 1.00 0.00 C ATOM 0 H VAL A 578 -15.963 1.327 -4.425 1.00 0.00 H new ATOM 0 HA VAL A 578 -14.396 -1.159 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 578 -12.644 0.144 -3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -11.663 1.095 -5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -12.360 -0.518 -5.628 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -13.242 0.935 -6.155 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -12.582 2.579 -3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -14.195 2.502 -4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -13.989 2.084 -2.670 1.00 0.00 H new ATOM 1099 N ARG A 579 -14.789 -1.814 -2.278 1.00 0.00 N ATOM 1100 CA ARG A 579 -15.099 -2.299 -0.944 1.00 0.00 C ATOM 1101 C ARG A 579 -13.782 -2.565 -0.228 1.00 0.00 C ATOM 1102 O ARG A 579 -12.725 -2.444 -0.843 1.00 0.00 O ATOM 1103 CB ARG A 579 -15.934 -3.585 -1.016 1.00 0.00 C ATOM 1104 CG ARG A 579 -16.998 -3.576 -2.110 1.00 0.00 C ATOM 1105 CD ARG A 579 -17.981 -2.428 -1.945 1.00 0.00 C ATOM 1106 NE ARG A 579 -18.788 -2.554 -0.733 1.00 0.00 N ATOM 1107 CZ ARG A 579 -19.163 -1.522 0.018 1.00 0.00 C ATOM 1108 NH1 ARG A 579 -18.738 -0.297 -0.269 1.00 0.00 N ATOM 1109 NH2 ARG A 579 -19.952 -1.715 1.067 1.00 0.00 N ATOM 0 H ARG A 579 -14.347 -2.510 -2.878 1.00 0.00 H new ATOM 0 HA ARG A 579 -15.684 -1.556 -0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -15.266 -4.431 -1.181 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -16.419 -3.745 -0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -16.515 -3.501 -3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -17.540 -4.521 -2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -17.433 -1.486 -1.917 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -18.639 -2.389 -2.813 1.00 0.00 H new ATOM 0 HE ARG A 579 -19.081 -3.488 -0.446 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -18.122 -0.145 -1.068 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -19.028 0.492 0.309 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -20.272 -2.656 1.298 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -20.239 -0.923 1.642 1.00 0.00 H new ATOM 1123 N ARG A 580 -13.828 -2.925 1.053 1.00 0.00 N ATOM 1124 CA ARG A 580 -12.612 -3.155 1.837 1.00 0.00 C ATOM 1125 C ARG A 580 -11.670 -4.163 1.168 1.00 0.00 C ATOM 1126 O ARG A 580 -10.454 -4.056 1.308 1.00 0.00 O ATOM 1127 CB ARG A 580 -12.939 -3.615 3.260 1.00 0.00 C ATOM 1128 CG ARG A 580 -13.689 -4.930 3.344 1.00 0.00 C ATOM 1129 CD ARG A 580 -15.192 -4.720 3.374 1.00 0.00 C ATOM 1130 NE ARG A 580 -15.920 -5.968 3.585 1.00 0.00 N ATOM 1131 CZ ARG A 580 -17.223 -6.119 3.353 1.00 0.00 C ATOM 1132 NH1 ARG A 580 -17.937 -5.113 2.858 1.00 0.00 N ATOM 1133 NH2 ARG A 580 -17.814 -7.278 3.618 1.00 0.00 N ATOM 0 H ARG A 580 -14.695 -3.064 1.573 1.00 0.00 H new ATOM 0 HA ARG A 580 -12.098 -2.195 1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 580 -12.009 -3.707 3.821 1.00 0.00 H new ATOM 0 HB3 ARG A 580 -13.532 -2.842 3.750 1.00 0.00 H new ATOM 0 HG2 ARG A 580 -13.426 -5.554 2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 580 -13.379 -5.469 4.239 1.00 0.00 H new ATOM 0 HD2 ARG A 580 -15.443 -4.017 4.168 1.00 0.00 H new ATOM 0 HD3 ARG A 580 -15.513 -4.269 2.435 1.00 0.00 H new ATOM 0 HE ARG A 580 -15.399 -6.774 3.931 1.00 0.00 H new ATOM 0 HH11 ARG A 580 -17.487 -4.220 2.654 1.00 0.00 H new ATOM 0 HH12 ARG A 580 -18.934 -5.234 2.682 1.00 0.00 H new ATOM 0 HH21 ARG A 580 -17.270 -8.052 3.999 1.00 0.00 H new ATOM 0 HH22 ARG A 580 -18.812 -7.394 3.441 1.00 0.00 H new ATOM 1147 N GLU A 581 -12.226 -5.140 0.447 1.00 0.00 N ATOM 1148 CA GLU A 581 -11.438 -6.137 -0.281 1.00 0.00 C ATOM 1149 C GLU A 581 -10.493 -5.516 -1.309 1.00 0.00 C ATOM 1150 O GLU A 581 -9.439 -6.079 -1.605 1.00 0.00 O ATOM 1151 CB GLU A 581 -12.381 -7.127 -0.968 1.00 0.00 C ATOM 1152 CG GLU A 581 -13.334 -6.476 -1.960 1.00 0.00 C ATOM 1153 CD GLU A 581 -14.513 -7.362 -2.298 1.00 0.00 C ATOM 1154 OE1 GLU A 581 -15.393 -7.539 -1.429 1.00 0.00 O ATOM 1155 OE2 GLU A 581 -14.566 -7.893 -3.426 1.00 0.00 O ATOM 0 H GLU A 581 -13.234 -5.262 0.352 1.00 0.00 H new ATOM 0 HA GLU A 581 -10.812 -6.651 0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -11.788 -7.879 -1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 581 -12.962 -7.649 -0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 581 -13.697 -5.535 -1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 581 -12.792 -6.234 -2.874 1.00 0.00 H new ATOM 1162 N HIS A 582 -10.866 -4.359 -1.834 1.00 0.00 N ATOM 1163 CA HIS A 582 -10.076 -3.682 -2.856 1.00 0.00 C ATOM 1164 C HIS A 582 -8.845 -3.019 -2.247 1.00 0.00 C ATOM 1165 O HIS A 582 -7.934 -2.592 -2.955 1.00 0.00 O ATOM 1166 CB HIS A 582 -10.933 -2.655 -3.599 1.00 0.00 C ATOM 1167 CG HIS A 582 -11.978 -3.281 -4.472 1.00 0.00 C ATOM 1168 ND1 HIS A 582 -13.313 -3.205 -4.167 1.00 0.00 N ATOM 1169 CD2 HIS A 582 -11.829 -3.980 -5.620 1.00 0.00 C ATOM 1170 CE1 HIS A 582 -13.940 -3.854 -5.131 1.00 0.00 C ATOM 1171 NE2 HIS A 582 -13.082 -4.344 -6.034 1.00 0.00 N ATOM 0 H HIS A 582 -11.717 -3.864 -1.568 1.00 0.00 H new ATOM 0 HA HIS A 582 -9.733 -4.429 -3.572 1.00 0.00 H new ATOM 0 HB2 HIS A 582 -11.418 -2.003 -2.873 1.00 0.00 H new ATOM 0 HB3 HIS A 582 -10.286 -2.026 -4.211 1.00 0.00 H new ATOM 0 HD2 HIS A 582 -10.897 -4.208 -6.116 1.00 0.00 H new ATOM 0 HE1 HIS A 582 -15.012 -3.974 -5.184 1.00 0.00 H new ATOM 0 HE2 HIS A 582 -13.316 -4.883 -6.868 1.00 0.00 H new ATOM 1179 N PHE A 583 -8.822 -2.946 -0.927 1.00 0.00 N ATOM 1180 CA PHE A 583 -7.725 -2.317 -0.215 1.00 0.00 C ATOM 1181 C PHE A 583 -6.905 -3.382 0.500 1.00 0.00 C ATOM 1182 O PHE A 583 -7.445 -4.183 1.265 1.00 0.00 O ATOM 1183 CB PHE A 583 -8.256 -1.291 0.788 1.00 0.00 C ATOM 1184 CG PHE A 583 -9.214 -0.302 0.186 1.00 0.00 C ATOM 1185 CD1 PHE A 583 -8.762 0.721 -0.624 1.00 0.00 C ATOM 1186 CD2 PHE A 583 -10.569 -0.403 0.430 1.00 0.00 C ATOM 1187 CE1 PHE A 583 -9.645 1.625 -1.177 1.00 0.00 C ATOM 1188 CE2 PHE A 583 -11.460 0.496 -0.119 1.00 0.00 C ATOM 1189 CZ PHE A 583 -10.997 1.513 -0.925 1.00 0.00 C ATOM 0 H PHE A 583 -9.556 -3.318 -0.324 1.00 0.00 H new ATOM 0 HA PHE A 583 -7.089 -1.796 -0.930 1.00 0.00 H new ATOM 0 HB2 PHE A 583 -8.753 -1.816 1.603 1.00 0.00 H new ATOM 0 HB3 PHE A 583 -7.415 -0.751 1.223 1.00 0.00 H new ATOM 0 HD1 PHE A 583 -7.705 0.814 -0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 583 -10.937 -1.198 1.061 1.00 0.00 H new ATOM 0 HE1 PHE A 583 -9.278 2.421 -1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 583 -12.517 0.403 0.082 1.00 0.00 H new ATOM 0 HZ PHE A 583 -11.690 2.220 -1.358 1.00 0.00 H new ATOM 1199 N SER A 584 -5.608 -3.407 0.249 1.00 0.00 N ATOM 1200 CA SER A 584 -4.742 -4.409 0.845 1.00 0.00 C ATOM 1201 C SER A 584 -3.466 -3.744 1.335 1.00 0.00 C ATOM 1202 O SER A 584 -2.932 -2.855 0.670 1.00 0.00 O ATOM 1203 CB SER A 584 -4.416 -5.510 -0.166 1.00 0.00 C ATOM 1204 OG SER A 584 -3.790 -4.974 -1.317 1.00 0.00 O ATOM 0 H SER A 584 -5.131 -2.745 -0.363 1.00 0.00 H new ATOM 0 HA SER A 584 -5.256 -4.869 1.689 1.00 0.00 H new ATOM 0 HB2 SER A 584 -3.763 -6.251 0.296 1.00 0.00 H new ATOM 0 HB3 SER A 584 -5.331 -6.027 -0.453 1.00 0.00 H new ATOM 0 HG SER A 584 -3.311 -5.686 -1.790 1.00 0.00 H new ATOM 1210 N PHE A 585 -2.974 -4.165 2.484 1.00 0.00 N ATOM 1211 CA PHE A 585 -1.794 -3.546 3.060 1.00 0.00 C ATOM 1212 C PHE A 585 -0.579 -4.460 2.980 1.00 0.00 C ATOM 1213 O PHE A 585 0.518 -4.089 3.405 1.00 0.00 O ATOM 1214 CB PHE A 585 -2.065 -3.127 4.499 1.00 0.00 C ATOM 1215 CG PHE A 585 -2.985 -1.946 4.593 1.00 0.00 C ATOM 1216 CD1 PHE A 585 -2.532 -0.692 4.241 1.00 0.00 C ATOM 1217 CD2 PHE A 585 -4.296 -2.086 5.019 1.00 0.00 C ATOM 1218 CE1 PHE A 585 -3.358 0.404 4.308 1.00 0.00 C ATOM 1219 CE2 PHE A 585 -5.131 -0.987 5.090 1.00 0.00 C ATOM 1220 CZ PHE A 585 -4.657 0.261 4.734 1.00 0.00 C ATOM 0 H PHE A 585 -3.369 -4.928 3.035 1.00 0.00 H new ATOM 0 HA PHE A 585 -1.566 -2.656 2.473 1.00 0.00 H new ATOM 0 HB2 PHE A 585 -2.500 -3.966 5.042 1.00 0.00 H new ATOM 0 HB3 PHE A 585 -1.121 -2.887 4.987 1.00 0.00 H new ATOM 0 HD1 PHE A 585 -1.512 -0.569 3.907 1.00 0.00 H new ATOM 0 HD2 PHE A 585 -4.668 -3.061 5.298 1.00 0.00 H new ATOM 0 HE1 PHE A 585 -2.986 1.378 4.026 1.00 0.00 H new ATOM 0 HE2 PHE A 585 -6.152 -1.103 5.423 1.00 0.00 H new ATOM 0 HZ PHE A 585 -5.306 1.123 4.790 1.00 0.00 H new ATOM 1230 N SER A 586 -0.783 -5.654 2.448 1.00 0.00 N ATOM 1231 CA SER A 586 0.313 -6.567 2.166 1.00 0.00 C ATOM 1232 C SER A 586 1.281 -5.956 1.147 1.00 0.00 C ATOM 1233 O SER A 586 0.894 -5.662 0.012 1.00 0.00 O ATOM 1234 CB SER A 586 -0.249 -7.879 1.624 1.00 0.00 C ATOM 1235 OG SER A 586 -1.196 -8.434 2.521 1.00 0.00 O ATOM 0 H SER A 586 -1.704 -6.016 2.201 1.00 0.00 H new ATOM 0 HA SER A 586 0.861 -6.754 3.089 1.00 0.00 H new ATOM 0 HB2 SER A 586 -0.718 -7.705 0.656 1.00 0.00 H new ATOM 0 HB3 SER A 586 0.563 -8.588 1.462 1.00 0.00 H new ATOM 0 HG SER A 586 -1.544 -9.273 2.152 1.00 0.00 H new ATOM 1241 N PRO A 587 2.555 -5.753 1.535 1.00 0.00 N ATOM 1242 CA PRO A 587 3.574 -5.191 0.642 1.00 0.00 C ATOM 1243 C PRO A 587 4.087 -6.204 -0.378 1.00 0.00 C ATOM 1244 O PRO A 587 5.077 -5.958 -1.060 1.00 0.00 O ATOM 1245 CB PRO A 587 4.690 -4.791 1.603 1.00 0.00 C ATOM 1246 CG PRO A 587 4.585 -5.783 2.703 1.00 0.00 C ATOM 1247 CD PRO A 587 3.108 -6.028 2.879 1.00 0.00 C ATOM 0 HA PRO A 587 3.183 -4.368 0.044 1.00 0.00 H new ATOM 0 HB2 PRO A 587 5.667 -4.831 1.120 1.00 0.00 H new ATOM 0 HB3 PRO A 587 4.557 -3.773 1.969 1.00 0.00 H new ATOM 0 HG2 PRO A 587 5.109 -6.705 2.452 1.00 0.00 H new ATOM 0 HG3 PRO A 587 5.032 -5.401 3.621 1.00 0.00 H new ATOM 0 HD2 PRO A 587 2.905 -7.051 3.196 1.00 0.00 H new ATOM 0 HD3 PRO A 587 2.678 -5.369 3.633 1.00 0.00 H new ATOM 1255 N ARG A 588 3.408 -7.342 -0.485 1.00 0.00 N ATOM 1256 CA ARG A 588 3.721 -8.338 -1.497 1.00 0.00 C ATOM 1257 C ARG A 588 2.899 -8.052 -2.742 1.00 0.00 C ATOM 1258 O ARG A 588 3.050 -8.705 -3.772 1.00 0.00 O ATOM 1259 CB ARG A 588 3.403 -9.751 -0.996 1.00 0.00 C ATOM 1260 CG ARG A 588 4.227 -10.195 0.203 1.00 0.00 C ATOM 1261 CD ARG A 588 3.923 -11.641 0.570 1.00 0.00 C ATOM 1262 NE ARG A 588 4.157 -12.548 -0.554 1.00 0.00 N ATOM 1263 CZ ARG A 588 3.603 -13.755 -0.679 1.00 0.00 C ATOM 1264 NH1 ARG A 588 2.801 -14.233 0.267 1.00 0.00 N ATOM 1265 NH2 ARG A 588 3.861 -14.489 -1.753 1.00 0.00 N ATOM 0 H ARG A 588 2.631 -7.596 0.124 1.00 0.00 H new ATOM 0 HA ARG A 588 4.786 -8.284 -1.722 1.00 0.00 H new ATOM 0 HB2 ARG A 588 2.346 -9.800 -0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 588 3.562 -10.456 -1.812 1.00 0.00 H new ATOM 0 HG2 ARG A 588 5.288 -10.089 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 588 4.015 -9.548 1.054 1.00 0.00 H new ATOM 0 HD2 ARG A 588 4.545 -11.940 1.414 1.00 0.00 H new ATOM 0 HD3 ARG A 588 2.885 -11.723 0.894 1.00 0.00 H new ATOM 0 HE ARG A 588 4.787 -12.236 -1.293 1.00 0.00 H new ATOM 0 HH11 ARG A 588 2.604 -13.676 1.098 1.00 0.00 H new ATOM 0 HH12 ARG A 588 2.382 -15.157 0.162 1.00 0.00 H new ATOM 0 HH21 ARG A 588 4.481 -14.130 -2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 588 3.440 -15.413 -1.853 1.00 0.00 H new ATOM 1279 N MET A 589 2.026 -7.063 -2.621 1.00 0.00 N ATOM 1280 CA MET A 589 1.117 -6.702 -3.694 1.00 0.00 C ATOM 1281 C MET A 589 1.702 -5.576 -4.542 1.00 0.00 C ATOM 1282 O MET A 589 1.717 -4.416 -4.122 1.00 0.00 O ATOM 1283 CB MET A 589 -0.231 -6.278 -3.110 1.00 0.00 C ATOM 1284 CG MET A 589 -1.318 -6.143 -4.147 1.00 0.00 C ATOM 1285 SD MET A 589 -1.667 -7.692 -4.998 1.00 0.00 S ATOM 1286 CE MET A 589 -2.236 -8.710 -3.638 1.00 0.00 C ATOM 0 H MET A 589 1.929 -6.492 -1.781 1.00 0.00 H new ATOM 0 HA MET A 589 0.972 -7.571 -4.335 1.00 0.00 H new ATOM 0 HB2 MET A 589 -0.541 -7.009 -2.363 1.00 0.00 H new ATOM 0 HB3 MET A 589 -0.111 -5.325 -2.594 1.00 0.00 H new ATOM 0 HG2 MET A 589 -2.229 -5.784 -3.668 1.00 0.00 H new ATOM 0 HG3 MET A 589 -1.025 -5.390 -4.878 1.00 0.00 H new ATOM 0 HE1 MET A 589 -2.720 -9.604 -4.031 1.00 0.00 H new ATOM 0 HE2 MET A 589 -1.386 -8.999 -3.019 1.00 0.00 H new ATOM 0 HE3 MET A 589 -2.949 -8.147 -3.035 1.00 0.00 H new ATOM 1296 N PRO A 590 2.182 -5.906 -5.749 1.00 0.00 N ATOM 1297 CA PRO A 590 2.853 -4.952 -6.636 1.00 0.00 C ATOM 1298 C PRO A 590 1.877 -4.109 -7.451 1.00 0.00 C ATOM 1299 O PRO A 590 1.857 -4.174 -8.680 1.00 0.00 O ATOM 1300 CB PRO A 590 3.659 -5.866 -7.553 1.00 0.00 C ATOM 1301 CG PRO A 590 2.848 -7.113 -7.655 1.00 0.00 C ATOM 1302 CD PRO A 590 2.106 -7.252 -6.351 1.00 0.00 C ATOM 0 HA PRO A 590 3.447 -4.224 -6.083 1.00 0.00 H new ATOM 0 HB2 PRO A 590 3.810 -5.411 -8.532 1.00 0.00 H new ATOM 0 HB3 PRO A 590 4.647 -6.069 -7.140 1.00 0.00 H new ATOM 0 HG2 PRO A 590 2.152 -7.055 -8.492 1.00 0.00 H new ATOM 0 HG3 PRO A 590 3.488 -7.978 -7.831 1.00 0.00 H new ATOM 0 HD2 PRO A 590 1.073 -7.559 -6.511 1.00 0.00 H new ATOM 0 HD3 PRO A 590 2.566 -8.003 -5.708 1.00 0.00 H new ATOM 1310 N VAL A 591 1.086 -3.297 -6.771 1.00 0.00 N ATOM 1311 CA VAL A 591 0.029 -2.569 -7.450 1.00 0.00 C ATOM 1312 C VAL A 591 0.353 -1.098 -7.703 1.00 0.00 C ATOM 1313 O VAL A 591 0.548 -0.721 -8.858 1.00 0.00 O ATOM 1314 CB VAL A 591 -1.311 -2.730 -6.720 1.00 0.00 C ATOM 1315 CG1 VAL A 591 -2.373 -1.843 -7.337 1.00 0.00 C ATOM 1316 CG2 VAL A 591 -1.727 -4.182 -6.791 1.00 0.00 C ATOM 0 H VAL A 591 1.153 -3.127 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 591 -0.056 -3.022 -8.438 1.00 0.00 H new ATOM 0 HB VAL A 591 -1.196 -2.428 -5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 591 -3.313 -1.975 -6.802 1.00 0.00 H new ATOM 0 HG12 VAL A 591 -2.061 -0.801 -7.270 1.00 0.00 H new ATOM 0 HG13 VAL A 591 -2.510 -2.114 -8.384 1.00 0.00 H new ATOM 0 HG21 VAL A 591 -2.679 -4.313 -6.276 1.00 0.00 H new ATOM 0 HG22 VAL A 591 -1.835 -4.479 -7.834 1.00 0.00 H new ATOM 0 HG23 VAL A 591 -0.968 -4.802 -6.314 1.00 0.00 H new ATOM 1326 N GLY A 592 0.415 -0.248 -6.675 1.00 0.00 N ATOM 1327 CA GLY A 592 0.594 1.166 -6.927 1.00 0.00 C ATOM 1328 C GLY A 592 2.045 1.573 -6.925 1.00 0.00 C ATOM 1329 O GLY A 592 2.776 1.311 -7.880 1.00 0.00 O ATOM 0 H GLY A 592 0.345 -0.512 -5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 592 0.150 1.419 -7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 592 0.059 1.738 -6.169 1.00 0.00 H new ATOM 1333 N ASP A 593 2.474 2.198 -5.845 1.00 0.00 N ATOM 1334 CA ASP A 593 3.821 2.709 -5.765 1.00 0.00 C ATOM 1335 C ASP A 593 4.631 1.949 -4.733 1.00 0.00 C ATOM 1336 O ASP A 593 4.138 1.598 -3.671 1.00 0.00 O ATOM 1337 CB ASP A 593 3.819 4.201 -5.426 1.00 0.00 C ATOM 1338 CG ASP A 593 3.226 5.060 -6.525 1.00 0.00 C ATOM 1339 OD1 ASP A 593 3.954 5.397 -7.484 1.00 0.00 O ATOM 1340 OD2 ASP A 593 2.033 5.418 -6.425 1.00 0.00 O ATOM 0 H ASP A 593 1.906 2.362 -5.014 1.00 0.00 H new ATOM 0 HA ASP A 593 4.283 2.571 -6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 593 3.255 4.358 -4.506 1.00 0.00 H new ATOM 0 HB3 ASP A 593 4.842 4.525 -5.232 1.00 0.00 H new ATOM 1345 N PHE A 594 5.861 1.680 -5.093 1.00 0.00 N ATOM 1346 CA PHE A 594 6.822 1.061 -4.186 1.00 0.00 C ATOM 1347 C PHE A 594 8.038 1.948 -4.002 1.00 0.00 C ATOM 1348 O PHE A 594 8.588 2.462 -4.974 1.00 0.00 O ATOM 1349 CB PHE A 594 7.254 -0.309 -4.705 1.00 0.00 C ATOM 1350 CG PHE A 594 6.353 -1.430 -4.276 1.00 0.00 C ATOM 1351 CD1 PHE A 594 5.062 -1.535 -4.764 1.00 0.00 C ATOM 1352 CD2 PHE A 594 6.808 -2.383 -3.381 1.00 0.00 C ATOM 1353 CE1 PHE A 594 4.240 -2.569 -4.365 1.00 0.00 C ATOM 1354 CE2 PHE A 594 5.990 -3.421 -2.978 1.00 0.00 C ATOM 1355 CZ PHE A 594 4.705 -3.515 -3.472 1.00 0.00 C ATOM 0 H PHE A 594 6.234 1.880 -6.021 1.00 0.00 H new ATOM 0 HA PHE A 594 6.332 0.932 -3.221 1.00 0.00 H new ATOM 0 HB2 PHE A 594 7.290 -0.280 -5.794 1.00 0.00 H new ATOM 0 HB3 PHE A 594 8.267 -0.516 -4.358 1.00 0.00 H new ATOM 0 HD1 PHE A 594 4.694 -0.800 -5.464 1.00 0.00 H new ATOM 0 HD2 PHE A 594 7.814 -2.314 -2.993 1.00 0.00 H new ATOM 0 HE1 PHE A 594 3.234 -2.639 -4.751 1.00 0.00 H new ATOM 0 HE2 PHE A 594 6.356 -4.157 -2.278 1.00 0.00 H new ATOM 0 HZ PHE A 594 4.064 -4.327 -3.161 1.00 0.00 H new ATOM 1365 N PHE A 595 8.440 2.151 -2.755 1.00 0.00 N ATOM 1366 CA PHE A 595 9.617 2.949 -2.456 1.00 0.00 C ATOM 1367 C PHE A 595 10.539 2.203 -1.504 1.00 0.00 C ATOM 1368 O PHE A 595 10.099 1.345 -0.741 1.00 0.00 O ATOM 1369 CB PHE A 595 9.218 4.285 -1.817 1.00 0.00 C ATOM 1370 CG PHE A 595 8.096 4.988 -2.524 1.00 0.00 C ATOM 1371 CD1 PHE A 595 8.350 5.876 -3.556 1.00 0.00 C ATOM 1372 CD2 PHE A 595 6.784 4.750 -2.157 1.00 0.00 C ATOM 1373 CE1 PHE A 595 7.311 6.512 -4.209 1.00 0.00 C ATOM 1374 CE2 PHE A 595 5.746 5.382 -2.804 1.00 0.00 C ATOM 1375 CZ PHE A 595 6.007 6.262 -3.830 1.00 0.00 C ATOM 0 H PHE A 595 7.967 1.773 -1.934 1.00 0.00 H new ATOM 0 HA PHE A 595 10.137 3.138 -3.395 1.00 0.00 H new ATOM 0 HB2 PHE A 595 8.927 4.108 -0.781 1.00 0.00 H new ATOM 0 HB3 PHE A 595 10.088 4.941 -1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 595 9.369 6.073 -3.853 1.00 0.00 H new ATOM 0 HD2 PHE A 595 6.571 4.060 -1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 595 7.518 7.202 -5.013 1.00 0.00 H new ATOM 0 HE2 PHE A 595 4.726 5.187 -2.506 1.00 0.00 H new ATOM 0 HZ PHE A 595 5.192 6.757 -4.338 1.00 0.00 H new ATOM 1385 N GLU A 596 11.806 2.550 -1.555 1.00 0.00 N ATOM 1386 CA GLU A 596 12.791 2.000 -0.643 1.00 0.00 C ATOM 1387 C GLU A 596 13.605 3.141 -0.056 1.00 0.00 C ATOM 1388 O GLU A 596 14.116 3.985 -0.798 1.00 0.00 O ATOM 1389 CB GLU A 596 13.709 1.023 -1.381 1.00 0.00 C ATOM 1390 CG GLU A 596 14.747 0.367 -0.481 1.00 0.00 C ATOM 1391 CD GLU A 596 15.798 -0.406 -1.252 1.00 0.00 C ATOM 1392 OE1 GLU A 596 16.815 0.200 -1.651 1.00 0.00 O ATOM 1393 OE2 GLU A 596 15.623 -1.622 -1.455 1.00 0.00 O ATOM 0 H GLU A 596 12.184 3.219 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 596 12.287 1.457 0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 596 13.101 0.247 -1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 596 14.220 1.553 -2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 596 15.236 1.134 0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 596 14.244 -0.307 0.212 1.00 0.00 H new ATOM 1400 N GLU A 597 13.708 3.203 1.264 1.00 0.00 N ATOM 1401 CA GLU A 597 14.432 4.274 1.923 1.00 0.00 C ATOM 1402 C GLU A 597 15.926 4.054 1.747 1.00 0.00 C ATOM 1403 O GLU A 597 16.455 2.987 2.066 1.00 0.00 O ATOM 1404 CB GLU A 597 14.073 4.320 3.412 1.00 0.00 C ATOM 1405 CG GLU A 597 14.863 5.346 4.208 1.00 0.00 C ATOM 1406 CD GLU A 597 14.421 5.424 5.656 1.00 0.00 C ATOM 1407 OE1 GLU A 597 13.409 6.097 5.935 1.00 0.00 O ATOM 1408 OE2 GLU A 597 15.082 4.814 6.523 1.00 0.00 O ATOM 0 H GLU A 597 13.296 2.520 1.900 1.00 0.00 H new ATOM 0 HA GLU A 597 14.153 5.227 1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 597 13.010 4.538 3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 597 14.238 3.334 3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 597 15.923 5.094 4.168 1.00 0.00 H new ATOM 0 HG3 GLU A 597 14.751 6.326 3.744 1.00 0.00 H new ATOM 1415 N ARG A 598 16.593 5.058 1.209 1.00 0.00 N ATOM 1416 CA ARG A 598 17.992 4.940 0.858 1.00 0.00 C ATOM 1417 C ARG A 598 18.757 6.171 1.313 1.00 0.00 C ATOM 1418 O ARG A 598 18.171 7.245 1.484 1.00 0.00 O ATOM 1419 CB ARG A 598 18.098 4.769 -0.663 1.00 0.00 C ATOM 1420 CG ARG A 598 19.513 4.672 -1.205 1.00 0.00 C ATOM 1421 CD ARG A 598 19.502 4.565 -2.719 1.00 0.00 C ATOM 1422 NE ARG A 598 20.825 4.280 -3.269 1.00 0.00 N ATOM 1423 CZ ARG A 598 21.030 3.559 -4.370 1.00 0.00 C ATOM 1424 NH1 ARG A 598 19.999 3.053 -5.038 1.00 0.00 N ATOM 1425 NH2 ARG A 598 22.264 3.343 -4.803 1.00 0.00 N ATOM 0 H ARG A 598 16.183 5.970 1.005 1.00 0.00 H new ATOM 0 HA ARG A 598 18.429 4.075 1.356 1.00 0.00 H new ATOM 0 HB2 ARG A 598 17.553 3.870 -0.950 1.00 0.00 H new ATOM 0 HB3 ARG A 598 17.599 5.611 -1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 598 20.085 5.549 -0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 598 20.013 3.803 -0.778 1.00 0.00 H new ATOM 0 HD2 ARG A 598 18.810 3.778 -3.019 1.00 0.00 H new ATOM 0 HD3 ARG A 598 19.129 5.497 -3.143 1.00 0.00 H new ATOM 0 HE ARG A 598 21.639 4.655 -2.782 1.00 0.00 H new ATOM 0 HH11 ARG A 598 19.048 3.216 -4.708 1.00 0.00 H new ATOM 0 HH12 ARG A 598 20.159 2.501 -5.881 1.00 0.00 H new ATOM 0 HH21 ARG A 598 23.058 3.729 -4.293 1.00 0.00 H new ATOM 0 HH22 ARG A 598 22.419 2.791 -5.646 1.00 0.00 H new ATOM 1439 N ASP A 599 20.061 6.023 1.488 1.00 0.00 N ATOM 1440 CA ASP A 599 20.915 7.140 1.839 1.00 0.00 C ATOM 1441 C ASP A 599 21.610 7.692 0.615 1.00 0.00 C ATOM 1442 O ASP A 599 22.063 6.954 -0.264 1.00 0.00 O ATOM 1443 CB ASP A 599 21.951 6.738 2.895 1.00 0.00 C ATOM 1444 CG ASP A 599 22.988 5.762 2.374 1.00 0.00 C ATOM 1445 OD1 ASP A 599 22.714 4.541 2.362 1.00 0.00 O ATOM 1446 OD2 ASP A 599 24.089 6.207 1.981 1.00 0.00 O ATOM 0 H ASP A 599 20.550 5.133 1.391 1.00 0.00 H new ATOM 0 HA ASP A 599 20.279 7.918 2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 599 22.455 7.633 3.259 1.00 0.00 H new ATOM 0 HB3 ASP A 599 21.438 6.292 3.747 1.00 0.00 H new ATOM 1451 N THR A 600 21.644 9.001 0.554 1.00 0.00 N ATOM 1452 CA THR A 600 22.287 9.719 -0.522 1.00 0.00 C ATOM 1453 C THR A 600 23.232 10.745 0.073 1.00 0.00 C ATOM 1454 O THR A 600 23.146 11.043 1.266 1.00 0.00 O ATOM 1455 CB THR A 600 21.232 10.427 -1.391 1.00 0.00 C ATOM 1456 OG1 THR A 600 20.719 11.559 -0.691 1.00 0.00 O ATOM 1457 CG2 THR A 600 20.086 9.488 -1.701 1.00 0.00 C ATOM 0 H THR A 600 21.221 9.606 1.258 1.00 0.00 H new ATOM 0 HA THR A 600 22.842 9.020 -1.148 1.00 0.00 H new ATOM 0 HB THR A 600 21.704 10.741 -2.322 1.00 0.00 H new ATOM 0 HG1 THR A 600 20.393 11.279 0.190 1.00 0.00 H new ATOM 0 HG21 THR A 600 19.349 10.004 -2.316 1.00 0.00 H new ATOM 0 HG22 THR A 600 20.463 8.619 -2.240 1.00 0.00 H new ATOM 0 HG23 THR A 600 19.619 9.164 -0.771 1.00 0.00 H new ATOM 1465 N PRO A 601 24.147 11.294 -0.730 1.00 0.00 N ATOM 1466 CA PRO A 601 25.079 12.326 -0.272 1.00 0.00 C ATOM 1467 C PRO A 601 24.364 13.601 0.192 1.00 0.00 C ATOM 1468 O PRO A 601 24.973 14.476 0.804 1.00 0.00 O ATOM 1469 CB PRO A 601 25.954 12.594 -1.500 1.00 0.00 C ATOM 1470 CG PRO A 601 25.167 12.094 -2.659 1.00 0.00 C ATOM 1471 CD PRO A 601 24.366 10.940 -2.141 1.00 0.00 C ATOM 0 HA PRO A 601 25.649 12.003 0.599 1.00 0.00 H new ATOM 0 HB2 PRO A 601 26.173 13.657 -1.602 1.00 0.00 H new ATOM 0 HB3 PRO A 601 26.911 12.077 -1.422 1.00 0.00 H new ATOM 0 HG2 PRO A 601 24.517 12.874 -3.056 1.00 0.00 H new ATOM 0 HG3 PRO A 601 25.823 11.781 -3.471 1.00 0.00 H new ATOM 0 HD2 PRO A 601 23.425 10.828 -2.680 1.00 0.00 H new ATOM 0 HD3 PRO A 601 24.905 9.998 -2.242 1.00 0.00 H new ATOM 1479 N GLU A 602 23.067 13.695 -0.092 1.00 0.00 N ATOM 1480 CA GLU A 602 22.271 14.829 0.360 1.00 0.00 C ATOM 1481 C GLU A 602 21.435 14.441 1.581 1.00 0.00 C ATOM 1482 O GLU A 602 20.892 15.302 2.277 1.00 0.00 O ATOM 1483 CB GLU A 602 21.367 15.332 -0.770 1.00 0.00 C ATOM 1484 CG GLU A 602 20.148 14.464 -1.020 1.00 0.00 C ATOM 1485 CD GLU A 602 19.321 14.939 -2.192 1.00 0.00 C ATOM 1486 OE1 GLU A 602 18.648 15.984 -2.072 1.00 0.00 O ATOM 1487 OE2 GLU A 602 19.328 14.258 -3.238 1.00 0.00 O ATOM 0 H GLU A 602 22.548 13.002 -0.631 1.00 0.00 H new ATOM 0 HA GLU A 602 22.947 15.635 0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 602 21.037 16.344 -0.534 1.00 0.00 H new ATOM 0 HB3 GLU A 602 21.951 15.393 -1.688 1.00 0.00 H new ATOM 0 HG2 GLU A 602 20.469 13.438 -1.200 1.00 0.00 H new ATOM 0 HG3 GLU A 602 19.527 14.451 -0.124 1.00 0.00 H new ATOM 1494 N GLY A 603 21.342 13.142 1.834 1.00 0.00 N ATOM 1495 CA GLY A 603 20.579 12.674 2.964 1.00 0.00 C ATOM 1496 C GLY A 603 19.685 11.503 2.642 1.00 0.00 C ATOM 1497 O GLY A 603 19.862 10.828 1.631 1.00 0.00 O ATOM 0 H GLY A 603 21.781 12.410 1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 603 21.264 12.389 3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 603 19.969 13.493 3.345 1.00 0.00 H new ATOM 1501 N LEU A 604 18.729 11.260 3.515 1.00 0.00 N ATOM 1502 CA LEU A 604 17.771 10.184 3.324 1.00 0.00 C ATOM 1503 C LEU A 604 16.609 10.638 2.465 1.00 0.00 C ATOM 1504 O LEU A 604 15.969 11.653 2.742 1.00 0.00 O ATOM 1505 CB LEU A 604 17.248 9.671 4.664 1.00 0.00 C ATOM 1506 CG LEU A 604 18.233 8.822 5.460 1.00 0.00 C ATOM 1507 CD1 LEU A 604 17.697 8.565 6.857 1.00 0.00 C ATOM 1508 CD2 LEU A 604 18.500 7.505 4.750 1.00 0.00 C ATOM 0 H LEU A 604 18.592 11.797 4.372 1.00 0.00 H new ATOM 0 HA LEU A 604 18.290 9.372 2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 604 16.954 10.526 5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 604 16.348 9.083 4.484 1.00 0.00 H new ATOM 0 HG LEU A 604 19.173 9.369 5.539 1.00 0.00 H new ATOM 0 HD11 LEU A 604 18.410 7.958 7.414 1.00 0.00 H new ATOM 0 HD12 LEU A 604 17.550 9.515 7.371 1.00 0.00 H new ATOM 0 HD13 LEU A 604 16.745 8.037 6.790 1.00 0.00 H new ATOM 0 HD21 LEU A 604 19.205 6.913 5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 604 17.566 6.954 4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 604 18.921 7.702 3.764 1.00 0.00 H new ATOM 1520 N GLN A 605 16.369 9.894 1.410 1.00 0.00 N ATOM 1521 CA GLN A 605 15.223 10.136 0.547 1.00 0.00 C ATOM 1522 C GLN A 605 14.616 8.806 0.150 1.00 0.00 C ATOM 1523 O GLN A 605 15.313 7.788 0.107 1.00 0.00 O ATOM 1524 CB GLN A 605 15.604 10.936 -0.688 1.00 0.00 C ATOM 1525 CG GLN A 605 16.668 10.282 -1.533 1.00 0.00 C ATOM 1526 CD GLN A 605 17.242 11.251 -2.526 1.00 0.00 C ATOM 1527 OE1 GLN A 605 16.810 11.328 -3.677 1.00 0.00 O ATOM 1528 NE2 GLN A 605 18.199 12.025 -2.065 1.00 0.00 N ATOM 0 H GLN A 605 16.954 9.109 1.123 1.00 0.00 H new ATOM 0 HA GLN A 605 14.493 10.729 1.098 1.00 0.00 H new ATOM 0 HB2 GLN A 605 14.714 11.091 -1.298 1.00 0.00 H new ATOM 0 HB3 GLN A 605 15.954 11.921 -0.378 1.00 0.00 H new ATOM 0 HG2 GLN A 605 17.462 9.901 -0.892 1.00 0.00 H new ATOM 0 HG3 GLN A 605 16.244 9.426 -2.059 1.00 0.00 H new ATOM 0 HE21 GLN A 605 18.521 11.920 -1.103 1.00 0.00 H new ATOM 0 HE22 GLN A 605 18.620 12.731 -2.669 1.00 0.00 H new ATOM 1537 N TRP A 606 13.323 8.797 -0.112 1.00 0.00 N ATOM 1538 CA TRP A 606 12.637 7.574 -0.460 1.00 0.00 C ATOM 1539 C TRP A 606 12.748 7.357 -1.956 1.00 0.00 C ATOM 1540 O TRP A 606 12.178 8.114 -2.744 1.00 0.00 O ATOM 1541 CB TRP A 606 11.167 7.644 -0.043 1.00 0.00 C ATOM 1542 CG TRP A 606 10.952 7.343 1.406 1.00 0.00 C ATOM 1543 CD1 TRP A 606 10.900 8.229 2.442 1.00 0.00 C ATOM 1544 CD2 TRP A 606 10.765 6.049 1.972 1.00 0.00 C ATOM 1545 NE1 TRP A 606 10.693 7.556 3.623 1.00 0.00 N ATOM 1546 CE2 TRP A 606 10.606 6.214 3.358 1.00 0.00 C ATOM 1547 CE3 TRP A 606 10.717 4.766 1.436 1.00 0.00 C ATOM 1548 CZ2 TRP A 606 10.402 5.135 4.215 1.00 0.00 C ATOM 1549 CZ3 TRP A 606 10.517 3.701 2.282 1.00 0.00 C ATOM 1550 CH2 TRP A 606 10.360 3.886 3.657 1.00 0.00 C ATOM 0 H TRP A 606 12.729 9.626 -0.090 1.00 0.00 H new ATOM 0 HA TRP A 606 13.097 6.739 0.068 1.00 0.00 H new ATOM 0 HB2 TRP A 606 10.781 8.639 -0.262 1.00 0.00 H new ATOM 0 HB3 TRP A 606 10.592 6.939 -0.643 1.00 0.00 H new ATOM 0 HD1 TRP A 606 11.006 9.300 2.348 1.00 0.00 H new ATOM 0 HE1 TRP A 606 10.617 7.985 4.545 1.00 0.00 H new ATOM 0 HE3 TRP A 606 10.835 4.609 0.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 606 10.282 5.278 5.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 606 10.481 2.701 1.875 1.00 0.00 H new ATOM 0 HH2 TRP A 606 10.202 3.027 4.292 1.00 0.00 H new ATOM 1561 N VAL A 607 13.496 6.343 -2.355 1.00 0.00 N ATOM 1562 CA VAL A 607 13.696 6.073 -3.765 1.00 0.00 C ATOM 1563 C VAL A 607 12.663 5.079 -4.261 1.00 0.00 C ATOM 1564 O VAL A 607 12.493 4.000 -3.699 1.00 0.00 O ATOM 1565 CB VAL A 607 15.113 5.519 -4.033 1.00 0.00 C ATOM 1566 CG1 VAL A 607 15.354 5.335 -5.525 1.00 0.00 C ATOM 1567 CG2 VAL A 607 16.171 6.431 -3.425 1.00 0.00 C ATOM 0 H VAL A 607 13.972 5.697 -1.725 1.00 0.00 H new ATOM 0 HA VAL A 607 13.584 7.015 -4.302 1.00 0.00 H new ATOM 0 HB VAL A 607 15.188 4.541 -3.557 1.00 0.00 H new ATOM 0 HG11 VAL A 607 16.359 4.944 -5.686 1.00 0.00 H new ATOM 0 HG12 VAL A 607 14.623 4.634 -5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 607 15.253 6.295 -6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 607 17.162 6.023 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 607 16.092 7.425 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 607 16.017 6.499 -2.348 1.00 0.00 H new ATOM 1577 N GLN A 608 11.965 5.474 -5.307 1.00 0.00 N ATOM 1578 CA GLN A 608 10.896 4.671 -5.862 1.00 0.00 C ATOM 1579 C GLN A 608 11.472 3.489 -6.623 1.00 0.00 C ATOM 1580 O GLN A 608 12.434 3.624 -7.381 1.00 0.00 O ATOM 1581 CB GLN A 608 9.985 5.500 -6.770 1.00 0.00 C ATOM 1582 CG GLN A 608 8.931 4.658 -7.469 1.00 0.00 C ATOM 1583 CD GLN A 608 7.738 5.457 -7.939 1.00 0.00 C ATOM 1584 OE1 GLN A 608 7.844 6.639 -8.267 1.00 0.00 O ATOM 1585 NE2 GLN A 608 6.589 4.807 -7.980 1.00 0.00 N ATOM 0 H GLN A 608 12.122 6.357 -5.794 1.00 0.00 H new ATOM 0 HA GLN A 608 10.289 4.301 -5.036 1.00 0.00 H new ATOM 0 HB2 GLN A 608 9.494 6.272 -6.178 1.00 0.00 H new ATOM 0 HB3 GLN A 608 10.592 6.010 -7.518 1.00 0.00 H new ATOM 0 HG2 GLN A 608 9.385 4.159 -8.325 1.00 0.00 H new ATOM 0 HG3 GLN A 608 8.591 3.877 -6.789 1.00 0.00 H new ATOM 0 HE21 GLN A 608 6.547 3.827 -7.699 1.00 0.00 H new ATOM 0 HE22 GLN A 608 5.744 5.285 -8.293 1.00 0.00 H new ATOM 1594 N LEU A 609 10.876 2.333 -6.404 1.00 0.00 N ATOM 1595 CA LEU A 609 11.314 1.101 -7.022 1.00 0.00 C ATOM 1596 C LEU A 609 10.497 0.884 -8.279 1.00 0.00 C ATOM 1597 O LEU A 609 9.302 1.185 -8.287 1.00 0.00 O ATOM 1598 CB LEU A 609 11.077 -0.067 -6.064 1.00 0.00 C ATOM 1599 CG LEU A 609 11.784 0.036 -4.715 1.00 0.00 C ATOM 1600 CD1 LEU A 609 11.161 -0.924 -3.715 1.00 0.00 C ATOM 1601 CD2 LEU A 609 13.263 -0.259 -4.879 1.00 0.00 C ATOM 0 H LEU A 609 10.070 2.224 -5.789 1.00 0.00 H new ATOM 0 HA LEU A 609 12.376 1.160 -7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 609 10.005 -0.157 -5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 609 11.398 -0.987 -6.553 1.00 0.00 H new ATOM 0 HG LEU A 609 11.668 1.051 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 609 11.677 -0.838 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 609 10.107 -0.678 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 609 11.252 -1.945 -4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 609 13.759 -0.183 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 609 13.391 -1.267 -5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 609 13.703 0.460 -5.570 1.00 0.00 H new ATOM 1613 N SER A 610 11.100 0.377 -9.340 1.00 0.00 N ATOM 1614 CA SER A 610 10.368 0.015 -10.529 1.00 0.00 C ATOM 1615 C SER A 610 9.716 -1.336 -10.300 1.00 0.00 C ATOM 1616 O SER A 610 10.069 -2.038 -9.349 1.00 0.00 O ATOM 1617 CB SER A 610 11.318 -0.040 -11.726 1.00 0.00 C ATOM 1618 OG SER A 610 12.054 1.167 -11.856 1.00 0.00 O ATOM 0 H SER A 610 12.104 0.208 -9.397 1.00 0.00 H new ATOM 0 HA SER A 610 9.599 0.758 -10.741 1.00 0.00 H new ATOM 0 HB2 SER A 610 12.006 -0.877 -11.609 1.00 0.00 H new ATOM 0 HB3 SER A 610 10.748 -0.221 -12.637 1.00 0.00 H new ATOM 0 HG SER A 610 12.654 1.103 -12.628 1.00 0.00 H new ATOM 1624 N ALA A 611 8.777 -1.707 -11.155 1.00 0.00 N ATOM 1625 CA ALA A 611 8.069 -2.970 -11.019 1.00 0.00 C ATOM 1626 C ALA A 611 9.036 -4.148 -10.975 1.00 0.00 C ATOM 1627 O ALA A 611 8.755 -5.165 -10.348 1.00 0.00 O ATOM 1628 CB ALA A 611 7.074 -3.139 -12.155 1.00 0.00 C ATOM 0 H ALA A 611 8.486 -1.147 -11.956 1.00 0.00 H new ATOM 0 HA ALA A 611 7.526 -2.952 -10.074 1.00 0.00 H new ATOM 0 HB1 ALA A 611 6.550 -4.088 -12.042 1.00 0.00 H new ATOM 0 HB2 ALA A 611 6.353 -2.322 -12.132 1.00 0.00 H new ATOM 0 HB3 ALA A 611 7.604 -3.128 -13.107 1.00 0.00 H new ATOM 1634 N GLU A 612 10.165 -4.012 -11.655 1.00 0.00 N ATOM 1635 CA GLU A 612 11.173 -5.064 -11.674 1.00 0.00 C ATOM 1636 C GLU A 612 11.928 -5.131 -10.341 1.00 0.00 C ATOM 1637 O GLU A 612 12.385 -6.196 -9.929 1.00 0.00 O ATOM 1638 CB GLU A 612 12.151 -4.836 -12.824 1.00 0.00 C ATOM 1639 CG GLU A 612 11.503 -4.944 -14.193 1.00 0.00 C ATOM 1640 CD GLU A 612 10.906 -6.312 -14.444 1.00 0.00 C ATOM 1641 OE1 GLU A 612 11.649 -7.214 -14.880 1.00 0.00 O ATOM 1642 OE2 GLU A 612 9.692 -6.494 -14.209 1.00 0.00 O ATOM 0 H GLU A 612 10.407 -3.185 -12.201 1.00 0.00 H new ATOM 0 HA GLU A 612 10.665 -6.017 -11.823 1.00 0.00 H new ATOM 0 HB2 GLU A 612 12.601 -3.849 -12.719 1.00 0.00 H new ATOM 0 HB3 GLU A 612 12.960 -5.563 -12.754 1.00 0.00 H new ATOM 0 HG2 GLU A 612 10.723 -4.188 -14.283 1.00 0.00 H new ATOM 0 HG3 GLU A 612 12.246 -4.728 -14.961 1.00 0.00 H new ATOM 1649 N GLU A 613 12.050 -3.992 -9.661 1.00 0.00 N ATOM 1650 CA GLU A 613 12.739 -3.936 -8.374 1.00 0.00 C ATOM 1651 C GLU A 613 11.818 -4.377 -7.245 1.00 0.00 C ATOM 1652 O GLU A 613 12.277 -4.893 -6.223 1.00 0.00 O ATOM 1653 CB GLU A 613 13.241 -2.524 -8.086 1.00 0.00 C ATOM 1654 CG GLU A 613 14.267 -2.019 -9.085 1.00 0.00 C ATOM 1655 CD GLU A 613 15.457 -2.946 -9.219 1.00 0.00 C ATOM 1656 OE1 GLU A 613 16.241 -3.065 -8.255 1.00 0.00 O ATOM 1657 OE2 GLU A 613 15.607 -3.570 -10.286 1.00 0.00 O ATOM 0 H GLU A 613 11.681 -3.096 -9.980 1.00 0.00 H new ATOM 0 HA GLU A 613 13.590 -4.615 -8.430 1.00 0.00 H new ATOM 0 HB2 GLU A 613 12.391 -1.842 -8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 613 13.679 -2.501 -7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 613 13.792 -1.901 -10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 613 14.613 -1.032 -8.777 1.00 0.00 H new ATOM 1664 N ILE A 614 10.524 -4.149 -7.445 1.00 0.00 N ATOM 1665 CA ILE A 614 9.494 -4.481 -6.458 1.00 0.00 C ATOM 1666 C ILE A 614 9.661 -5.890 -5.857 1.00 0.00 C ATOM 1667 O ILE A 614 9.830 -6.020 -4.643 1.00 0.00 O ATOM 1668 CB ILE A 614 8.083 -4.347 -7.080 1.00 0.00 C ATOM 1669 CG1 ILE A 614 7.723 -2.874 -7.289 1.00 0.00 C ATOM 1670 CG2 ILE A 614 7.042 -5.049 -6.224 1.00 0.00 C ATOM 1671 CD1 ILE A 614 6.331 -2.658 -7.849 1.00 0.00 C ATOM 0 H ILE A 614 10.156 -3.728 -8.298 1.00 0.00 H new ATOM 0 HA ILE A 614 9.613 -3.767 -5.643 1.00 0.00 H new ATOM 0 HB ILE A 614 8.093 -4.834 -8.055 1.00 0.00 H new ATOM 0 HG12 ILE A 614 7.807 -2.351 -6.337 1.00 0.00 H new ATOM 0 HG13 ILE A 614 8.450 -2.424 -7.965 1.00 0.00 H new ATOM 0 HG21 ILE A 614 6.060 -4.940 -6.683 1.00 0.00 H new ATOM 0 HG22 ILE A 614 7.290 -6.107 -6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 614 7.029 -4.604 -5.229 1.00 0.00 H new ATOM 0 HD11 ILE A 614 6.149 -1.590 -7.969 1.00 0.00 H new ATOM 0 HD12 ILE A 614 6.248 -3.152 -8.817 1.00 0.00 H new ATOM 0 HD13 ILE A 614 5.594 -3.077 -7.164 1.00 0.00 H new ATOM 1683 N PRO A 615 9.656 -6.959 -6.684 1.00 0.00 N ATOM 1684 CA PRO A 615 9.725 -8.341 -6.189 1.00 0.00 C ATOM 1685 C PRO A 615 11.010 -8.626 -5.423 1.00 0.00 C ATOM 1686 O PRO A 615 11.022 -9.440 -4.503 1.00 0.00 O ATOM 1687 CB PRO A 615 9.660 -9.192 -7.461 1.00 0.00 C ATOM 1688 CG PRO A 615 10.059 -8.270 -8.556 1.00 0.00 C ATOM 1689 CD PRO A 615 9.568 -6.920 -8.149 1.00 0.00 C ATOM 0 HA PRO A 615 8.922 -8.551 -5.482 1.00 0.00 H new ATOM 0 HB2 PRO A 615 10.333 -10.047 -7.399 1.00 0.00 H new ATOM 0 HB3 PRO A 615 8.657 -9.587 -7.622 1.00 0.00 H new ATOM 0 HG2 PRO A 615 11.141 -8.268 -8.691 1.00 0.00 H new ATOM 0 HG3 PRO A 615 9.619 -8.576 -9.505 1.00 0.00 H new ATOM 0 HD2 PRO A 615 10.184 -6.124 -8.568 1.00 0.00 H new ATOM 0 HD3 PRO A 615 8.547 -6.744 -8.487 1.00 0.00 H new ATOM 1697 N SER A 616 12.081 -7.931 -5.785 1.00 0.00 N ATOM 1698 CA SER A 616 13.366 -8.104 -5.122 1.00 0.00 C ATOM 1699 C SER A 616 13.260 -7.673 -3.664 1.00 0.00 C ATOM 1700 O SER A 616 13.796 -8.324 -2.764 1.00 0.00 O ATOM 1701 CB SER A 616 14.443 -7.287 -5.844 1.00 0.00 C ATOM 1702 OG SER A 616 15.690 -7.357 -5.174 1.00 0.00 O ATOM 0 H SER A 616 12.084 -7.241 -6.536 1.00 0.00 H new ATOM 0 HA SER A 616 13.647 -9.157 -5.156 1.00 0.00 H new ATOM 0 HB2 SER A 616 14.556 -7.655 -6.864 1.00 0.00 H new ATOM 0 HB3 SER A 616 14.125 -6.247 -5.914 1.00 0.00 H new ATOM 0 HG SER A 616 16.354 -6.826 -5.662 1.00 0.00 H new ATOM 1708 N ARG A 617 12.548 -6.578 -3.440 1.00 0.00 N ATOM 1709 CA ARG A 617 12.317 -6.077 -2.094 1.00 0.00 C ATOM 1710 C ARG A 617 11.313 -6.951 -1.357 1.00 0.00 C ATOM 1711 O ARG A 617 11.484 -7.238 -0.172 1.00 0.00 O ATOM 1712 CB ARG A 617 11.859 -4.618 -2.118 1.00 0.00 C ATOM 1713 CG ARG A 617 13.004 -3.623 -2.229 1.00 0.00 C ATOM 1714 CD ARG A 617 13.788 -3.810 -3.517 1.00 0.00 C ATOM 1715 NE ARG A 617 14.919 -2.896 -3.607 1.00 0.00 N ATOM 1716 CZ ARG A 617 15.646 -2.716 -4.704 1.00 0.00 C ATOM 1717 NH1 ARG A 617 15.387 -3.425 -5.795 1.00 0.00 N ATOM 1718 NH2 ARG A 617 16.636 -1.833 -4.704 1.00 0.00 N ATOM 0 H ARG A 617 12.119 -6.018 -4.177 1.00 0.00 H new ATOM 0 HA ARG A 617 13.263 -6.119 -1.554 1.00 0.00 H new ATOM 0 HB2 ARG A 617 11.180 -4.473 -2.958 1.00 0.00 H new ATOM 0 HB3 ARG A 617 11.293 -4.408 -1.210 1.00 0.00 H new ATOM 0 HG2 ARG A 617 12.609 -2.608 -2.187 1.00 0.00 H new ATOM 0 HG3 ARG A 617 13.672 -3.740 -1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 617 14.147 -4.837 -3.577 1.00 0.00 H new ATOM 0 HD3 ARG A 617 13.127 -3.653 -4.369 1.00 0.00 H new ATOM 0 HE ARG A 617 15.168 -2.361 -2.775 1.00 0.00 H new ATOM 0 HH11 ARG A 617 14.630 -4.108 -5.791 1.00 0.00 H new ATOM 0 HH12 ARG A 617 15.945 -3.287 -6.637 1.00 0.00 H new ATOM 0 HH21 ARG A 617 16.838 -1.293 -3.862 1.00 0.00 H new ATOM 0 HH22 ARG A 617 17.195 -1.694 -5.546 1.00 0.00 H new ATOM 1732 N ILE A 618 10.276 -7.386 -2.073 1.00 0.00 N ATOM 1733 CA ILE A 618 9.248 -8.249 -1.497 1.00 0.00 C ATOM 1734 C ILE A 618 9.862 -9.524 -0.929 1.00 0.00 C ATOM 1735 O ILE A 618 9.462 -9.990 0.128 1.00 0.00 O ATOM 1736 CB ILE A 618 8.172 -8.629 -2.536 1.00 0.00 C ATOM 1737 CG1 ILE A 618 7.446 -7.379 -3.035 1.00 0.00 C ATOM 1738 CG2 ILE A 618 7.179 -9.620 -1.944 1.00 0.00 C ATOM 1739 CD1 ILE A 618 6.363 -7.670 -4.053 1.00 0.00 C ATOM 0 H ILE A 618 10.127 -7.154 -3.055 1.00 0.00 H new ATOM 0 HA ILE A 618 8.776 -7.682 -0.695 1.00 0.00 H new ATOM 0 HB ILE A 618 8.667 -9.104 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 618 7.003 -6.863 -2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 618 8.174 -6.699 -3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 618 6.429 -9.875 -2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 618 7.706 -10.523 -1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 618 6.690 -9.172 -1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 618 5.892 -6.736 -4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 618 6.803 -8.158 -4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 618 5.613 -8.325 -3.609 1.00 0.00 H new ATOM 1751 N GLN A 619 10.843 -10.070 -1.630 1.00 0.00 N ATOM 1752 CA GLN A 619 11.523 -11.285 -1.192 1.00 0.00 C ATOM 1753 C GLN A 619 12.165 -11.113 0.180 1.00 0.00 C ATOM 1754 O GLN A 619 12.195 -12.049 0.980 1.00 0.00 O ATOM 1755 CB GLN A 619 12.567 -11.699 -2.218 1.00 0.00 C ATOM 1756 CG GLN A 619 11.952 -12.158 -3.523 1.00 0.00 C ATOM 1757 CD GLN A 619 11.331 -13.538 -3.427 1.00 0.00 C ATOM 1758 OE1 GLN A 619 11.994 -14.545 -3.671 1.00 0.00 O ATOM 1759 NE2 GLN A 619 10.059 -13.596 -3.067 1.00 0.00 N ATOM 0 H GLN A 619 11.190 -9.690 -2.511 1.00 0.00 H new ATOM 0 HA GLN A 619 10.773 -12.071 -1.105 1.00 0.00 H new ATOM 0 HB2 GLN A 619 13.234 -10.859 -2.411 1.00 0.00 H new ATOM 0 HB3 GLN A 619 13.177 -12.503 -1.806 1.00 0.00 H new ATOM 0 HG2 GLN A 619 11.190 -11.442 -3.832 1.00 0.00 H new ATOM 0 HG3 GLN A 619 12.718 -12.162 -4.299 1.00 0.00 H new ATOM 0 HE21 GLN A 619 9.544 -12.737 -2.873 1.00 0.00 H new ATOM 0 HE22 GLN A 619 9.593 -14.500 -2.983 1.00 0.00 H new ATOM 1768 N ALA A 620 12.671 -9.920 0.456 1.00 0.00 N ATOM 1769 CA ALA A 620 13.326 -9.649 1.725 1.00 0.00 C ATOM 1770 C ALA A 620 12.305 -9.371 2.823 1.00 0.00 C ATOM 1771 O ALA A 620 12.432 -9.868 3.940 1.00 0.00 O ATOM 1772 CB ALA A 620 14.280 -8.474 1.579 1.00 0.00 C ATOM 0 H ALA A 620 12.640 -9.125 -0.182 1.00 0.00 H new ATOM 0 HA ALA A 620 13.894 -10.534 2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 620 14.766 -8.279 2.535 1.00 0.00 H new ATOM 0 HB2 ALA A 620 15.036 -8.710 0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 620 13.723 -7.590 1.268 1.00 0.00 H new ATOM 1778 N ILE A 621 11.291 -8.580 2.495 1.00 0.00 N ATOM 1779 CA ILE A 621 10.272 -8.193 3.469 1.00 0.00 C ATOM 1780 C ILE A 621 9.192 -9.257 3.623 1.00 0.00 C ATOM 1781 O ILE A 621 8.307 -9.127 4.471 1.00 0.00 O ATOM 1782 CB ILE A 621 9.577 -6.871 3.079 1.00 0.00 C ATOM 1783 CG1 ILE A 621 8.903 -6.994 1.711 1.00 0.00 C ATOM 1784 CG2 ILE A 621 10.569 -5.723 3.074 1.00 0.00 C ATOM 1785 CD1 ILE A 621 8.071 -5.789 1.337 1.00 0.00 C ATOM 0 H ILE A 621 11.150 -8.193 1.562 1.00 0.00 H new ATOM 0 HA ILE A 621 10.805 -8.070 4.412 1.00 0.00 H new ATOM 0 HB ILE A 621 8.810 -6.663 3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 621 9.669 -7.147 0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 621 8.268 -7.880 1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 621 10.058 -4.801 2.796 1.00 0.00 H new ATOM 0 HG22 ILE A 621 11.002 -5.612 4.068 1.00 0.00 H new ATOM 0 HG23 ILE A 621 11.361 -5.929 2.354 1.00 0.00 H new ATOM 0 HD11 ILE A 621 7.624 -5.946 0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 621 7.283 -5.647 2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 621 8.706 -4.903 1.309 1.00 0.00 H new ATOM 1797 N THR A 622 9.259 -10.294 2.803 1.00 0.00 N ATOM 1798 CA THR A 622 8.199 -11.286 2.755 1.00 0.00 C ATOM 1799 C THR A 622 8.085 -12.034 4.088 1.00 0.00 C ATOM 1800 O THR A 622 9.075 -12.506 4.658 1.00 0.00 O ATOM 1801 CB THR A 622 8.379 -12.277 1.569 1.00 0.00 C ATOM 1802 OG1 THR A 622 7.106 -12.815 1.189 1.00 0.00 O ATOM 1803 CG2 THR A 622 9.314 -13.424 1.917 1.00 0.00 C ATOM 0 H THR A 622 10.034 -10.470 2.164 1.00 0.00 H new ATOM 0 HA THR A 622 7.265 -10.751 2.585 1.00 0.00 H new ATOM 0 HB THR A 622 8.821 -11.717 0.745 1.00 0.00 H new ATOM 0 HG1 THR A 622 7.224 -13.437 0.441 1.00 0.00 H new ATOM 0 HG21 THR A 622 9.409 -14.089 1.059 1.00 0.00 H new ATOM 0 HG22 THR A 622 10.295 -13.027 2.179 1.00 0.00 H new ATOM 0 HG23 THR A 622 8.910 -13.979 2.764 1.00 0.00 H new ATOM 1811 N GLY A 623 6.869 -12.087 4.597 1.00 0.00 N ATOM 1812 CA GLY A 623 6.598 -12.772 5.839 1.00 0.00 C ATOM 1813 C GLY A 623 5.112 -12.892 6.061 1.00 0.00 C ATOM 1814 O GLY A 623 4.612 -12.692 7.168 1.00 0.00 O ATOM 0 H GLY A 623 6.051 -11.660 4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 623 7.050 -13.764 5.821 1.00 0.00 H new ATOM 0 HA3 GLY A 623 7.053 -12.229 6.668 1.00 0.00 H new ATOM 1818 N SER A 624 4.407 -13.207 4.990 1.00 0.00 N ATOM 1819 CA SER A 624 2.963 -13.285 5.017 1.00 0.00 C ATOM 1820 C SER A 624 2.512 -14.549 4.294 1.00 0.00 C ATOM 1821 O SER A 624 2.516 -15.624 4.931 1.00 0.00 O ATOM 1822 CB SER A 624 2.365 -12.031 4.365 1.00 0.00 C ATOM 1823 OG SER A 624 0.954 -11.979 4.510 1.00 0.00 O ATOM 1824 OXT SER A 624 2.180 -14.471 3.090 1.00 0.00 O ATOM 0 H SER A 624 4.820 -13.415 4.081 1.00 0.00 H new ATOM 0 HA SER A 624 2.612 -13.332 6.048 1.00 0.00 H new ATOM 0 HB2 SER A 624 2.809 -11.142 4.814 1.00 0.00 H new ATOM 0 HB3 SER A 624 2.622 -12.015 3.306 1.00 0.00 H new ATOM 0 HG SER A 624 0.611 -11.166 4.084 1.00 0.00 H new TER 1830 SER A 624