USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 553 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: B 599 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 602 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : B 556 GLN : amide:sc= -0.0047 X(o=-0.0047,f=0.0023) USER MOD Single : B 558 GLN : amide:sc= -0.0762 X(o=-0.076,f=0) USER MOD Single : B 559 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0675) USER MOD Single : B 560 GLN : amide:sc= -0.286 K(o=-0.29,f=-0.98) USER MOD Single : B 561 MET CE :methyl 164:sc=-0.00728 (180deg=-0.231) USER MOD Single : B 571 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : B 573 MET CE :methyl 180:sc= -0.916 (180deg=-0.916) USER MOD Single : B 574 HIS : no HD1:sc= -3.45! C(o=-3.4!,f=-3.6!) USER MOD Single : B 576 THR OG1 : rot 180:sc= 0 USER MOD Single : B 580 LYS NZ :NH3+ -155:sc= 0.00648 (180deg=0) USER MOD Single : B 582 THR OG1 : rot 61:sc= 1.23 USER MOD Single : B 584 MET CE :methyl -178:sc= -1.9 (180deg=-1.91) USER MOD Single : B 590 ASN : amide:sc= -0.307 K(o=-0.31,f=-3.5!) USER MOD Single : B 591 SER OG : rot 180:sc= 0 USER MOD Single : B 595 HIS : no HE2:sc= 0.543 K(o=0.54,f=-2!) USER MOD Single : B 596 MET CE :methyl 170:sc= -5.99! (180deg=-7.32!) USER MOD Single : B 605 SER OG : rot 180:sc= 0 USER MOD Single : B 606 LYS NZ :NH3+ -151:sc= 0.383 (180deg=0.109) USER MOD Single : B 615 GLN : amide:sc= -0.21 K(o=-0.21,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 67 N VAL A 77 8.308 -1.952 -5.695 1.00 0.00 N ATOM 68 CA VAL A 77 8.155 -3.393 -5.532 1.00 0.00 C ATOM 69 C VAL A 77 9.504 -4.100 -5.598 1.00 0.00 C ATOM 70 O VAL A 77 9.832 -4.776 -6.574 1.00 0.00 O ATOM 71 CB VAL A 77 7.225 -3.984 -6.608 1.00 0.00 C ATOM 72 CG1 VAL A 77 5.777 -3.615 -6.323 1.00 0.00 C ATOM 73 CG2 VAL A 77 7.642 -3.508 -7.992 1.00 0.00 C ATOM 0 HA VAL A 77 7.711 -3.555 -4.550 1.00 0.00 H new ATOM 0 HB VAL A 77 7.311 -5.070 -6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.135 -4.041 -7.094 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.486 -4.009 -5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.671 -2.530 -6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.974 -3.935 -8.740 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.586 -2.420 -8.035 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.664 -3.827 -8.194 1.00 0.00 H new ATOM 83 N PRO A 78 10.307 -3.943 -4.536 1.00 0.00 N ATOM 84 CA PRO A 78 11.634 -4.560 -4.448 1.00 0.00 C ATOM 85 C PRO A 78 11.560 -6.075 -4.291 1.00 0.00 C ATOM 86 O PRO A 78 10.586 -6.606 -3.760 1.00 0.00 O ATOM 87 CB PRO A 78 12.240 -3.922 -3.196 1.00 0.00 C ATOM 88 CG PRO A 78 11.067 -3.526 -2.367 1.00 0.00 C ATOM 89 CD PRO A 78 9.982 -3.152 -3.337 1.00 0.00 C ATOM 0 HA PRO A 78 12.220 -4.396 -5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.881 -4.625 -2.664 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.855 -3.059 -3.450 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.749 -4.346 -1.723 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.314 -2.688 -1.716 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.994 -3.399 -2.949 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.984 -2.083 -3.549 1.00 0.00 H new ATOM 97 N ASN A 79 12.596 -6.765 -4.757 1.00 0.00 N ATOM 98 CA ASN A 79 12.648 -8.219 -4.668 1.00 0.00 C ATOM 99 C ASN A 79 13.425 -8.662 -3.432 1.00 0.00 C ATOM 100 O ASN A 79 14.656 -8.652 -3.422 1.00 0.00 O ATOM 101 CB ASN A 79 13.293 -8.805 -5.926 1.00 0.00 C ATOM 102 CG ASN A 79 12.288 -9.035 -7.038 1.00 0.00 C ATOM 103 OD1 ASN A 79 11.250 -8.375 -7.098 1.00 0.00 O ATOM 104 ND2 ASN A 79 12.592 -9.976 -7.925 1.00 0.00 N ATOM 0 H ASN A 79 13.411 -6.340 -5.200 1.00 0.00 H new ATOM 0 HA ASN A 79 11.626 -8.589 -4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.073 -8.130 -6.279 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.777 -9.749 -5.677 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.954 -10.176 -8.695 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.464 -10.498 -7.836 1.00 0.00 H new ATOM 111 N VAL A 80 12.696 -9.050 -2.390 1.00 0.00 N ATOM 112 CA VAL A 80 13.316 -9.498 -1.148 1.00 0.00 C ATOM 113 C VAL A 80 14.339 -10.597 -1.410 1.00 0.00 C ATOM 114 O VAL A 80 15.295 -10.764 -0.652 1.00 0.00 O ATOM 115 CB VAL A 80 12.263 -10.018 -0.151 1.00 0.00 C ATOM 116 CG1 VAL A 80 11.392 -11.082 -0.802 1.00 0.00 C ATOM 117 CG2 VAL A 80 12.937 -10.561 1.100 1.00 0.00 C ATOM 0 H VAL A 80 11.676 -9.063 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 80 13.819 -8.633 -0.715 1.00 0.00 H new ATOM 0 HB VAL A 80 11.622 -9.186 0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.654 -11.438 -0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.881 -10.656 -1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.016 -11.916 -1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.178 -10.924 1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.602 -11.381 0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.514 -9.768 1.576 1.00 0.00 H new ATOM 127 N HIS A 81 14.132 -11.346 -2.489 1.00 0.00 N ATOM 128 CA HIS A 81 15.038 -12.430 -2.852 1.00 0.00 C ATOM 129 C HIS A 81 16.312 -11.883 -3.490 1.00 0.00 C ATOM 130 O HIS A 81 16.626 -12.195 -4.638 1.00 0.00 O ATOM 131 CB HIS A 81 14.348 -13.399 -3.813 1.00 0.00 C ATOM 132 CG HIS A 81 13.021 -13.888 -3.320 1.00 0.00 C ATOM 133 ND1 HIS A 81 11.824 -13.305 -3.677 1.00 0.00 N ATOM 134 CD2 HIS A 81 12.707 -14.913 -2.494 1.00 0.00 C ATOM 135 CE1 HIS A 81 10.831 -13.949 -3.091 1.00 0.00 C ATOM 136 NE2 HIS A 81 11.340 -14.930 -2.367 1.00 0.00 N ATOM 0 H HIS A 81 13.345 -11.222 -3.127 1.00 0.00 H new ATOM 0 HA HIS A 81 15.309 -12.964 -1.941 1.00 0.00 H new ATOM 0 HB2 HIS A 81 14.210 -12.906 -4.776 1.00 0.00 H new ATOM 0 HB3 HIS A 81 15.001 -14.255 -3.984 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.402 -15.591 -2.022 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.781 -13.714 -3.187 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.805 -15.592 -1.805 1.00 0.00 H new ATOM 144 N ALA A 82 17.041 -11.066 -2.737 1.00 0.00 N ATOM 145 CA ALA A 82 18.280 -10.477 -3.229 1.00 0.00 C ATOM 146 C ALA A 82 19.495 -11.178 -2.632 1.00 0.00 C ATOM 147 O ALA A 82 19.371 -12.228 -2.002 1.00 0.00 O ATOM 148 CB ALA A 82 18.319 -8.989 -2.912 1.00 0.00 C ATOM 0 H ALA A 82 16.795 -10.797 -1.784 1.00 0.00 H new ATOM 0 HA ALA A 82 18.312 -10.608 -4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 82 19.250 -8.562 -3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.475 -8.493 -3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.261 -8.845 -1.833 1.00 0.00 H new ATOM 154 N ALA A 83 20.671 -10.593 -2.837 1.00 0.00 N ATOM 155 CA ALA A 83 21.908 -11.161 -2.318 1.00 0.00 C ATOM 156 C ALA A 83 22.926 -10.069 -2.007 1.00 0.00 C ATOM 157 O ALA A 83 22.767 -8.923 -2.424 1.00 0.00 O ATOM 158 CB ALA A 83 22.487 -12.159 -3.310 1.00 0.00 C ATOM 0 H ALA A 83 20.792 -9.725 -3.359 1.00 0.00 H new ATOM 0 HA ALA A 83 21.678 -11.681 -1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 83 23.411 -12.576 -2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 83 21.770 -12.962 -3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 83 22.695 -11.655 -4.254 1.00 0.00 H new ATOM 164 N GLU A 84 23.972 -10.434 -1.272 1.00 0.00 N ATOM 165 CA GLU A 84 25.015 -9.483 -0.905 1.00 0.00 C ATOM 166 C GLU A 84 25.540 -8.749 -2.135 1.00 0.00 C ATOM 167 O GLU A 84 25.839 -9.364 -3.159 1.00 0.00 O ATOM 168 CB GLU A 84 26.166 -10.203 -0.198 1.00 0.00 C ATOM 169 CG GLU A 84 26.713 -11.387 -0.976 1.00 0.00 C ATOM 170 CD GLU A 84 26.314 -12.718 -0.369 1.00 0.00 C ATOM 171 OE1 GLU A 84 25.261 -12.775 0.299 1.00 0.00 O ATOM 172 OE2 GLU A 84 27.056 -13.704 -0.563 1.00 0.00 O ATOM 0 H GLU A 84 24.120 -11.380 -0.920 1.00 0.00 H new ATOM 0 HA GLU A 84 24.580 -8.751 -0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 84 26.973 -9.492 -0.020 1.00 0.00 H new ATOM 0 HB3 GLU A 84 25.823 -10.547 0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 84 26.354 -11.339 -2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 84 27.800 -11.321 -1.014 1.00 0.00 H new ATOM 179 N PHE A 85 25.648 -7.429 -2.027 1.00 0.00 N ATOM 180 CA PHE A 85 26.134 -6.609 -3.131 1.00 0.00 C ATOM 181 C PHE A 85 27.611 -6.881 -3.401 1.00 0.00 C ATOM 182 O PHE A 85 28.096 -6.689 -4.516 1.00 0.00 O ATOM 183 CB PHE A 85 25.926 -5.125 -2.822 1.00 0.00 C ATOM 184 CG PHE A 85 27.032 -4.522 -2.004 1.00 0.00 C ATOM 185 CD1 PHE A 85 26.979 -4.543 -0.620 1.00 0.00 C ATOM 186 CD2 PHE A 85 28.125 -3.933 -2.620 1.00 0.00 C ATOM 187 CE1 PHE A 85 27.996 -3.989 0.135 1.00 0.00 C ATOM 188 CE2 PHE A 85 29.144 -3.378 -1.870 1.00 0.00 C ATOM 189 CZ PHE A 85 29.079 -3.405 -0.491 1.00 0.00 C ATOM 0 H PHE A 85 25.406 -6.904 -1.187 1.00 0.00 H new ATOM 0 HA PHE A 85 25.565 -6.871 -4.023 1.00 0.00 H new ATOM 0 HB2 PHE A 85 25.837 -4.576 -3.759 1.00 0.00 H new ATOM 0 HB3 PHE A 85 24.983 -5.002 -2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 85 26.133 -4.997 -0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 85 28.181 -3.908 -3.698 1.00 0.00 H new ATOM 0 HE1 PHE A 85 27.943 -4.013 1.213 1.00 0.00 H new ATOM 0 HE2 PHE A 85 29.991 -2.923 -2.362 1.00 0.00 H new ATOM 0 HZ PHE A 85 29.874 -2.970 0.097 1.00 0.00 H new ATOM 537 N GLN B 556 31.957 -1.518 -13.328 1.00 0.00 N ATOM 538 CA GLN B 556 31.953 -2.833 -12.697 1.00 0.00 C ATOM 539 C GLN B 556 32.295 -2.726 -11.215 1.00 0.00 C ATOM 540 O GLN B 556 31.960 -3.610 -10.427 1.00 0.00 O ATOM 541 CB GLN B 556 32.948 -3.760 -13.397 1.00 0.00 C ATOM 542 CG GLN B 556 32.833 -3.744 -14.913 1.00 0.00 C ATOM 543 CD GLN B 556 31.447 -4.123 -15.396 1.00 0.00 C ATOM 544 OE1 GLN B 556 30.586 -3.263 -15.584 1.00 0.00 O ATOM 545 NE2 GLN B 556 31.224 -5.416 -15.601 1.00 0.00 N ATOM 0 HA GLN B 556 30.951 -3.251 -12.790 1.00 0.00 H new ATOM 0 HB2 GLN B 556 33.961 -3.472 -13.115 1.00 0.00 H new ATOM 0 HB3 GLN B 556 32.796 -4.779 -13.040 1.00 0.00 H new ATOM 0 HG2 GLN B 556 33.083 -2.749 -15.282 1.00 0.00 H new ATOM 0 HG3 GLN B 556 33.563 -4.434 -15.336 1.00 0.00 H new ATOM 0 HE21 GLN B 556 31.967 -6.095 -15.432 1.00 0.00 H new ATOM 0 HE22 GLN B 556 30.310 -5.730 -15.927 1.00 0.00 H new ATOM 554 N GLU B 557 32.963 -1.639 -10.843 1.00 0.00 N ATOM 555 CA GLU B 557 33.351 -1.419 -9.455 1.00 0.00 C ATOM 556 C GLU B 557 32.390 -0.453 -8.768 1.00 0.00 C ATOM 557 O GLU B 557 32.232 -0.482 -7.548 1.00 0.00 O ATOM 558 CB GLU B 557 34.779 -0.874 -9.381 1.00 0.00 C ATOM 559 CG GLU B 557 35.847 -1.949 -9.482 1.00 0.00 C ATOM 560 CD GLU B 557 35.635 -2.873 -10.665 1.00 0.00 C ATOM 561 OE1 GLU B 557 34.798 -3.794 -10.557 1.00 0.00 O ATOM 562 OE2 GLU B 557 36.305 -2.675 -11.700 1.00 0.00 O ATOM 0 H GLU B 557 33.247 -0.897 -11.483 1.00 0.00 H new ATOM 0 HA GLU B 557 33.308 -2.377 -8.937 1.00 0.00 H new ATOM 0 HB2 GLU B 557 34.925 -0.152 -10.184 1.00 0.00 H new ATOM 0 HB3 GLU B 557 34.905 -0.336 -8.442 1.00 0.00 H new ATOM 0 HG2 GLU B 557 36.826 -1.477 -9.566 1.00 0.00 H new ATOM 0 HG3 GLU B 557 35.854 -2.536 -8.564 1.00 0.00 H new ATOM 569 N GLN B 558 31.751 0.401 -9.561 1.00 0.00 N ATOM 570 CA GLN B 558 30.806 1.376 -9.030 1.00 0.00 C ATOM 571 C GLN B 558 29.820 0.714 -8.074 1.00 0.00 C ATOM 572 O GLN B 558 29.498 1.261 -7.019 1.00 0.00 O ATOM 573 CB GLN B 558 30.050 2.059 -10.171 1.00 0.00 C ATOM 574 CG GLN B 558 30.613 3.420 -10.545 1.00 0.00 C ATOM 575 CD GLN B 558 30.492 3.713 -12.028 1.00 0.00 C ATOM 576 OE1 GLN B 558 31.438 4.190 -12.657 1.00 0.00 O ATOM 577 NE2 GLN B 558 29.326 3.429 -12.595 1.00 0.00 N ATOM 0 H GLN B 558 31.871 0.437 -10.573 1.00 0.00 H new ATOM 0 HA GLN B 558 31.370 2.127 -8.477 1.00 0.00 H new ATOM 0 HB2 GLN B 558 30.072 1.413 -11.048 1.00 0.00 H new ATOM 0 HB3 GLN B 558 29.004 2.174 -9.885 1.00 0.00 H new ATOM 0 HG2 GLN B 558 30.090 4.193 -9.982 1.00 0.00 H new ATOM 0 HG3 GLN B 558 31.662 3.468 -10.253 1.00 0.00 H new ATOM 0 HE21 GLN B 558 28.570 3.035 -12.036 1.00 0.00 H new ATOM 0 HE22 GLN B 558 29.186 3.605 -13.590 1.00 0.00 H new ATOM 586 N LYS B 559 29.342 -0.468 -8.450 1.00 0.00 N ATOM 587 CA LYS B 559 28.392 -1.206 -7.627 1.00 0.00 C ATOM 588 C LYS B 559 28.952 -1.441 -6.227 1.00 0.00 C ATOM 589 O LYS B 559 28.268 -1.217 -5.230 1.00 0.00 O ATOM 590 CB LYS B 559 28.051 -2.546 -8.283 1.00 0.00 C ATOM 591 CG LYS B 559 27.316 -3.505 -7.362 1.00 0.00 C ATOM 592 CD LYS B 559 26.165 -4.193 -8.078 1.00 0.00 C ATOM 593 CE LYS B 559 26.629 -5.448 -8.800 1.00 0.00 C ATOM 594 NZ LYS B 559 26.890 -6.568 -7.854 1.00 0.00 N ATOM 0 H LYS B 559 29.598 -0.935 -9.320 1.00 0.00 H new ATOM 0 HA LYS B 559 27.484 -0.609 -7.540 1.00 0.00 H new ATOM 0 HB2 LYS B 559 27.439 -2.363 -9.166 1.00 0.00 H new ATOM 0 HB3 LYS B 559 28.972 -3.018 -8.625 1.00 0.00 H new ATOM 0 HG2 LYS B 559 28.012 -4.255 -6.985 1.00 0.00 H new ATOM 0 HG3 LYS B 559 26.935 -2.961 -6.498 1.00 0.00 H new ATOM 0 HD2 LYS B 559 25.390 -4.452 -7.357 1.00 0.00 H new ATOM 0 HD3 LYS B 559 25.717 -3.504 -8.794 1.00 0.00 H new ATOM 0 HE2 LYS B 559 25.872 -5.752 -9.523 1.00 0.00 H new ATOM 0 HE3 LYS B 559 27.537 -5.229 -9.362 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 27.005 -7.453 -8.387 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 27.758 -6.373 -7.316 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 26.089 -6.661 -7.197 1.00 0.00 H new ATOM 608 N GLN B 560 30.201 -1.892 -6.163 1.00 0.00 N ATOM 609 CA GLN B 560 30.852 -2.156 -4.886 1.00 0.00 C ATOM 610 C GLN B 560 31.014 -0.871 -4.081 1.00 0.00 C ATOM 611 O GLN B 560 30.885 -0.873 -2.857 1.00 0.00 O ATOM 612 CB GLN B 560 32.219 -2.806 -5.110 1.00 0.00 C ATOM 613 CG GLN B 560 32.206 -3.899 -6.167 1.00 0.00 C ATOM 614 CD GLN B 560 31.119 -4.928 -5.930 1.00 0.00 C ATOM 615 OE1 GLN B 560 30.689 -5.144 -4.796 1.00 0.00 O ATOM 616 NE2 GLN B 560 30.668 -5.570 -7.001 1.00 0.00 N ATOM 0 H GLN B 560 30.781 -2.082 -6.980 1.00 0.00 H new ATOM 0 HA GLN B 560 30.220 -2.841 -4.321 1.00 0.00 H new ATOM 0 HB2 GLN B 560 32.934 -2.037 -5.403 1.00 0.00 H new ATOM 0 HB3 GLN B 560 32.571 -3.227 -4.168 1.00 0.00 H new ATOM 0 HG2 GLN B 560 32.065 -3.448 -7.149 1.00 0.00 H new ATOM 0 HG3 GLN B 560 33.175 -4.397 -6.181 1.00 0.00 H new ATOM 0 HE21 GLN B 560 31.053 -5.359 -7.922 1.00 0.00 H new ATOM 0 HE22 GLN B 560 29.936 -6.274 -6.903 1.00 0.00 H new ATOM 625 N MET B 561 31.296 0.226 -4.777 1.00 0.00 N ATOM 626 CA MET B 561 31.474 1.518 -4.126 1.00 0.00 C ATOM 627 C MET B 561 30.182 1.971 -3.453 1.00 0.00 C ATOM 628 O MET B 561 30.139 2.162 -2.237 1.00 0.00 O ATOM 629 CB MET B 561 31.926 2.568 -5.144 1.00 0.00 C ATOM 630 CG MET B 561 33.221 2.207 -5.854 1.00 0.00 C ATOM 631 SD MET B 561 33.897 3.580 -6.806 1.00 0.00 S ATOM 632 CE MET B 561 34.530 4.622 -5.494 1.00 0.00 C ATOM 0 H MET B 561 31.406 0.245 -5.791 1.00 0.00 H new ATOM 0 HA MET B 561 32.243 1.408 -3.361 1.00 0.00 H new ATOM 0 HB2 MET B 561 31.140 2.705 -5.887 1.00 0.00 H new ATOM 0 HB3 MET B 561 32.054 3.524 -4.636 1.00 0.00 H new ATOM 0 HG2 MET B 561 33.957 1.884 -5.118 1.00 0.00 H new ATOM 0 HG3 MET B 561 33.043 1.362 -6.519 1.00 0.00 H new ATOM 0 HE1 MET B 561 35.218 5.356 -5.913 1.00 0.00 H new ATOM 0 HE2 MET B 561 33.702 5.137 -5.007 1.00 0.00 H new ATOM 0 HE3 MET B 561 35.056 4.008 -4.763 1.00 0.00 H new ATOM 642 N LEU B 562 29.133 2.140 -4.249 1.00 0.00 N ATOM 643 CA LEU B 562 27.840 2.570 -3.730 1.00 0.00 C ATOM 644 C LEU B 562 27.389 1.674 -2.580 1.00 0.00 C ATOM 645 O LEU B 562 26.967 2.158 -1.531 1.00 0.00 O ATOM 646 CB LEU B 562 26.791 2.557 -4.843 1.00 0.00 C ATOM 647 CG LEU B 562 26.903 3.672 -5.883 1.00 0.00 C ATOM 648 CD1 LEU B 562 25.954 3.416 -7.044 1.00 0.00 C ATOM 649 CD2 LEU B 562 26.618 5.025 -5.248 1.00 0.00 C ATOM 0 H LEU B 562 29.152 1.986 -5.257 1.00 0.00 H new ATOM 0 HA LEU B 562 27.948 3.587 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU B 562 26.850 1.599 -5.359 1.00 0.00 H new ATOM 0 HB3 LEU B 562 25.803 2.612 -4.385 1.00 0.00 H new ATOM 0 HG LEU B 562 27.923 3.682 -6.268 1.00 0.00 H new ATOM 0 HD11 LEU B 562 26.047 4.220 -7.774 1.00 0.00 H new ATOM 0 HD12 LEU B 562 26.204 2.466 -7.516 1.00 0.00 H new ATOM 0 HD13 LEU B 562 24.929 3.379 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU B 562 26.702 5.806 -6.003 1.00 0.00 H new ATOM 0 HD22 LEU B 562 25.610 5.028 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU B 562 27.338 5.212 -4.451 1.00 0.00 H new ATOM 661 N GLY B 563 27.484 0.364 -2.786 1.00 0.00 N ATOM 662 CA GLY B 563 27.085 -0.580 -1.758 1.00 0.00 C ATOM 663 C GLY B 563 27.972 -0.511 -0.532 1.00 0.00 C ATOM 664 O GLY B 563 27.497 -0.651 0.595 1.00 0.00 O ATOM 0 H GLY B 563 27.830 -0.061 -3.646 1.00 0.00 H new ATOM 0 HA2 GLY B 563 26.053 -0.382 -1.468 1.00 0.00 H new ATOM 0 HA3 GLY B 563 27.113 -1.590 -2.166 1.00 0.00 H new ATOM 668 N GLU B 564 29.266 -0.295 -0.750 1.00 0.00 N ATOM 669 CA GLU B 564 30.222 -0.211 0.348 1.00 0.00 C ATOM 670 C GLU B 564 29.873 0.942 1.285 1.00 0.00 C ATOM 671 O GLU B 564 29.893 0.790 2.507 1.00 0.00 O ATOM 672 CB GLU B 564 31.641 -0.030 -0.195 1.00 0.00 C ATOM 673 CG GLU B 564 32.384 -1.339 -0.405 1.00 0.00 C ATOM 674 CD GLU B 564 33.675 -1.410 0.387 1.00 0.00 C ATOM 675 OE1 GLU B 564 33.626 -1.821 1.565 1.00 0.00 O ATOM 676 OE2 GLU B 564 34.734 -1.054 -0.171 1.00 0.00 O ATOM 0 H GLU B 564 29.676 -0.175 -1.676 1.00 0.00 H new ATOM 0 HA GLU B 564 30.173 -1.143 0.912 1.00 0.00 H new ATOM 0 HB2 GLU B 564 31.593 0.507 -1.143 1.00 0.00 H new ATOM 0 HB3 GLU B 564 32.209 0.593 0.496 1.00 0.00 H new ATOM 0 HG2 GLU B 564 31.739 -2.169 -0.117 1.00 0.00 H new ATOM 0 HG3 GLU B 564 32.605 -1.461 -1.465 1.00 0.00 H new ATOM 683 N ARG B 565 29.555 2.094 0.704 1.00 0.00 N ATOM 684 CA ARG B 565 29.204 3.273 1.486 1.00 0.00 C ATOM 685 C ARG B 565 27.788 3.154 2.043 1.00 0.00 C ATOM 686 O ARG B 565 27.487 3.672 3.119 1.00 0.00 O ATOM 687 CB ARG B 565 29.322 4.534 0.628 1.00 0.00 C ATOM 688 CG ARG B 565 30.729 4.793 0.117 1.00 0.00 C ATOM 689 CD ARG B 565 31.373 5.971 0.831 1.00 0.00 C ATOM 690 NE ARG B 565 32.333 5.539 1.844 1.00 0.00 N ATOM 691 CZ ARG B 565 32.000 5.254 3.098 1.00 0.00 C ATOM 692 NH1 ARG B 565 30.738 5.355 3.491 1.00 0.00 N ATOM 693 NH2 ARG B 565 32.930 4.867 3.961 1.00 0.00 N ATOM 0 H ARG B 565 29.533 2.236 -0.306 1.00 0.00 H new ATOM 0 HA ARG B 565 29.900 3.344 2.322 1.00 0.00 H new ATOM 0 HB2 ARG B 565 28.646 4.449 -0.222 1.00 0.00 H new ATOM 0 HB3 ARG B 565 28.993 5.393 1.213 1.00 0.00 H new ATOM 0 HG2 ARG B 565 31.339 3.901 0.261 1.00 0.00 H new ATOM 0 HG3 ARG B 565 30.698 4.989 -0.955 1.00 0.00 H new ATOM 0 HD2 ARG B 565 31.876 6.606 0.102 1.00 0.00 H new ATOM 0 HD3 ARG B 565 30.599 6.578 1.301 1.00 0.00 H new ATOM 0 HE ARG B 565 33.313 5.451 1.574 1.00 0.00 H new ATOM 0 HH11 ARG B 565 30.020 5.652 2.830 1.00 0.00 H new ATOM 0 HH12 ARG B 565 30.485 5.136 4.454 1.00 0.00 H new ATOM 0 HH21 ARG B 565 33.902 4.788 3.662 1.00 0.00 H new ATOM 0 HH22 ARG B 565 32.673 4.648 4.924 1.00 0.00 H new ATOM 707 N LEU B 566 26.923 2.468 1.304 1.00 0.00 N ATOM 708 CA LEU B 566 25.538 2.281 1.724 1.00 0.00 C ATOM 709 C LEU B 566 25.440 1.230 2.824 1.00 0.00 C ATOM 710 O LEU B 566 24.470 1.197 3.581 1.00 0.00 O ATOM 711 CB LEU B 566 24.675 1.869 0.531 1.00 0.00 C ATOM 712 CG LEU B 566 24.382 2.964 -0.496 1.00 0.00 C ATOM 713 CD1 LEU B 566 24.093 2.355 -1.859 1.00 0.00 C ATOM 714 CD2 LEU B 566 23.216 3.827 -0.037 1.00 0.00 C ATOM 0 H LEU B 566 27.156 2.032 0.412 1.00 0.00 H new ATOM 0 HA LEU B 566 25.173 3.229 2.119 1.00 0.00 H new ATOM 0 HB2 LEU B 566 25.168 1.042 0.020 1.00 0.00 H new ATOM 0 HB3 LEU B 566 23.726 1.490 0.909 1.00 0.00 H new ATOM 0 HG LEU B 566 25.264 3.598 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU B 566 23.887 3.150 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU B 566 24.958 1.781 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU B 566 23.227 1.697 -1.787 1.00 0.00 H new ATOM 0 HD21 LEU B 566 23.022 4.601 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU B 566 22.328 3.206 0.081 1.00 0.00 H new ATOM 0 HD23 LEU B 566 23.462 4.293 0.917 1.00 0.00 H new ATOM 726 N PHE B 567 26.452 0.373 2.909 1.00 0.00 N ATOM 727 CA PHE B 567 26.481 -0.679 3.918 1.00 0.00 C ATOM 728 C PHE B 567 26.315 -0.095 5.318 1.00 0.00 C ATOM 729 O PHE B 567 25.397 -0.446 6.060 1.00 0.00 O ATOM 730 CB PHE B 567 27.792 -1.463 3.832 1.00 0.00 C ATOM 731 CG PHE B 567 28.202 -2.091 5.133 1.00 0.00 C ATOM 732 CD1 PHE B 567 27.338 -2.936 5.812 1.00 0.00 C ATOM 733 CD2 PHE B 567 29.450 -1.837 5.678 1.00 0.00 C ATOM 734 CE1 PHE B 567 27.712 -3.516 7.009 1.00 0.00 C ATOM 735 CE2 PHE B 567 29.830 -2.415 6.874 1.00 0.00 C ATOM 736 CZ PHE B 567 28.959 -3.255 7.542 1.00 0.00 C ATOM 0 H PHE B 567 27.263 0.387 2.291 1.00 0.00 H new ATOM 0 HA PHE B 567 25.649 -1.356 3.725 1.00 0.00 H new ATOM 0 HB2 PHE B 567 27.691 -2.243 3.077 1.00 0.00 H new ATOM 0 HB3 PHE B 567 28.584 -0.795 3.495 1.00 0.00 H new ATOM 0 HD1 PHE B 567 26.361 -3.143 5.401 1.00 0.00 H new ATOM 0 HD2 PHE B 567 30.134 -1.179 5.162 1.00 0.00 H new ATOM 0 HE1 PHE B 567 27.030 -4.173 7.528 1.00 0.00 H new ATOM 0 HE2 PHE B 567 30.807 -2.211 7.287 1.00 0.00 H new ATOM 0 HZ PHE B 567 29.253 -3.706 8.478 1.00 0.00 H new ATOM 746 N PRO B 568 27.226 0.817 5.689 1.00 0.00 N ATOM 747 CA PRO B 568 27.202 1.470 7.002 1.00 0.00 C ATOM 748 C PRO B 568 26.031 2.435 7.148 1.00 0.00 C ATOM 749 O PRO B 568 25.481 2.599 8.238 1.00 0.00 O ATOM 750 CB PRO B 568 28.530 2.230 7.043 1.00 0.00 C ATOM 751 CG PRO B 568 28.875 2.469 5.614 1.00 0.00 C ATOM 752 CD PRO B 568 28.347 1.282 4.856 1.00 0.00 C ATOM 0 HA PRO B 568 27.080 0.752 7.813 1.00 0.00 H new ATOM 0 HB2 PRO B 568 28.432 3.168 7.589 1.00 0.00 H new ATOM 0 HB3 PRO B 568 29.303 1.649 7.545 1.00 0.00 H new ATOM 0 HG2 PRO B 568 28.425 3.394 5.253 1.00 0.00 H new ATOM 0 HG3 PRO B 568 29.953 2.567 5.484 1.00 0.00 H new ATOM 0 HD2 PRO B 568 28.016 1.559 3.855 1.00 0.00 H new ATOM 0 HD3 PRO B 568 29.107 0.510 4.738 1.00 0.00 H new ATOM 760 N LEU B 569 25.654 3.072 6.045 1.00 0.00 N ATOM 761 CA LEU B 569 24.546 4.022 6.051 1.00 0.00 C ATOM 762 C LEU B 569 23.260 3.356 6.531 1.00 0.00 C ATOM 763 O LEU B 569 22.629 3.816 7.482 1.00 0.00 O ATOM 764 CB LEU B 569 24.341 4.605 4.652 1.00 0.00 C ATOM 765 CG LEU B 569 25.403 5.596 4.176 1.00 0.00 C ATOM 766 CD1 LEU B 569 25.334 5.769 2.667 1.00 0.00 C ATOM 767 CD2 LEU B 569 25.233 6.937 4.876 1.00 0.00 C ATOM 0 H LEU B 569 26.099 2.948 5.135 1.00 0.00 H new ATOM 0 HA LEU B 569 24.795 4.828 6.741 1.00 0.00 H new ATOM 0 HB2 LEU B 569 24.296 3.781 3.940 1.00 0.00 H new ATOM 0 HB3 LEU B 569 23.371 5.102 4.626 1.00 0.00 H new ATOM 0 HG LEU B 569 26.385 5.197 4.431 1.00 0.00 H new ATOM 0 HD11 LEU B 569 26.097 6.478 2.347 1.00 0.00 H new ATOM 0 HD12 LEU B 569 25.505 4.808 2.182 1.00 0.00 H new ATOM 0 HD13 LEU B 569 24.350 6.145 2.389 1.00 0.00 H new ATOM 0 HD21 LEU B 569 25.997 7.630 4.525 1.00 0.00 H new ATOM 0 HD22 LEU B 569 24.246 7.342 4.652 1.00 0.00 H new ATOM 0 HD23 LEU B 569 25.334 6.801 5.953 1.00 0.00 H new ATOM 779 N ILE B 570 22.880 2.269 5.867 1.00 0.00 N ATOM 780 CA ILE B 570 21.672 1.538 6.228 1.00 0.00 C ATOM 781 C ILE B 570 21.889 0.703 7.485 1.00 0.00 C ATOM 782 O ILE B 570 20.933 0.314 8.156 1.00 0.00 O ATOM 783 CB ILE B 570 21.210 0.615 5.085 1.00 0.00 C ATOM 784 CG1 ILE B 570 20.979 1.424 3.808 1.00 0.00 C ATOM 785 CG2 ILE B 570 19.944 -0.129 5.484 1.00 0.00 C ATOM 786 CD1 ILE B 570 21.406 0.702 2.549 1.00 0.00 C ATOM 0 H ILE B 570 23.391 1.876 5.077 1.00 0.00 H new ATOM 0 HA ILE B 570 20.898 2.282 6.419 1.00 0.00 H new ATOM 0 HB ILE B 570 21.993 -0.118 4.891 1.00 0.00 H new ATOM 0 HG12 ILE B 570 19.921 1.674 3.732 1.00 0.00 H new ATOM 0 HG13 ILE B 570 21.524 2.365 3.880 1.00 0.00 H new ATOM 0 HG21 ILE B 570 19.630 -0.777 4.666 1.00 0.00 H new ATOM 0 HG22 ILE B 570 20.141 -0.732 6.370 1.00 0.00 H new ATOM 0 HG23 ILE B 570 19.153 0.589 5.702 1.00 0.00 H new ATOM 0 HD11 ILE B 570 21.213 1.335 1.683 1.00 0.00 H new ATOM 0 HD12 ILE B 570 22.471 0.476 2.603 1.00 0.00 H new ATOM 0 HD13 ILE B 570 20.842 -0.226 2.453 1.00 0.00 H new ATOM 798 N GLN B 571 23.152 0.434 7.799 1.00 0.00 N ATOM 799 CA GLN B 571 23.495 -0.354 8.977 1.00 0.00 C ATOM 800 C GLN B 571 22.933 0.286 10.242 1.00 0.00 C ATOM 801 O GLN B 571 22.731 -0.386 11.253 1.00 0.00 O ATOM 802 CB GLN B 571 25.013 -0.499 9.096 1.00 0.00 C ATOM 803 CG GLN B 571 25.459 -1.206 10.365 1.00 0.00 C ATOM 804 CD GLN B 571 26.963 -1.176 10.553 1.00 0.00 C ATOM 805 OE1 GLN B 571 27.628 -0.210 10.175 1.00 0.00 O ATOM 806 NE2 GLN B 571 27.509 -2.235 11.138 1.00 0.00 N ATOM 0 H GLN B 571 23.954 0.750 7.254 1.00 0.00 H new ATOM 0 HA GLN B 571 23.051 -1.343 8.863 1.00 0.00 H new ATOM 0 HB2 GLN B 571 25.386 -1.050 8.233 1.00 0.00 H new ATOM 0 HB3 GLN B 571 25.468 0.491 9.063 1.00 0.00 H new ATOM 0 HG2 GLN B 571 24.980 -0.737 11.225 1.00 0.00 H new ATOM 0 HG3 GLN B 571 25.121 -2.242 10.337 1.00 0.00 H new ATOM 0 HE21 GLN B 571 26.921 -3.013 11.436 1.00 0.00 H new ATOM 0 HE22 GLN B 571 28.517 -2.271 11.290 1.00 0.00 H new ATOM 815 N ALA B 572 22.684 1.590 10.179 1.00 0.00 N ATOM 816 CA ALA B 572 22.144 2.321 11.319 1.00 0.00 C ATOM 817 C ALA B 572 20.652 2.053 11.486 1.00 0.00 C ATOM 818 O ALA B 572 20.059 2.403 12.507 1.00 0.00 O ATOM 819 CB ALA B 572 22.400 3.812 11.160 1.00 0.00 C ATOM 0 H ALA B 572 22.848 2.162 9.350 1.00 0.00 H new ATOM 0 HA ALA B 572 22.652 1.971 12.217 1.00 0.00 H new ATOM 0 HB1 ALA B 572 21.991 4.345 12.019 1.00 0.00 H new ATOM 0 HB2 ALA B 572 23.473 3.992 11.098 1.00 0.00 H new ATOM 0 HB3 ALA B 572 21.919 4.169 10.249 1.00 0.00 H new ATOM 825 N MET B 573 20.050 1.432 10.477 1.00 0.00 N ATOM 826 CA MET B 573 18.627 1.117 10.513 1.00 0.00 C ATOM 827 C MET B 573 18.404 -0.391 10.544 1.00 0.00 C ATOM 828 O MET B 573 17.778 -0.917 11.465 1.00 0.00 O ATOM 829 CB MET B 573 17.917 1.725 9.301 1.00 0.00 C ATOM 830 CG MET B 573 18.347 3.151 8.997 1.00 0.00 C ATOM 831 SD MET B 573 17.234 3.982 7.848 1.00 0.00 S ATOM 832 CE MET B 573 18.291 4.145 6.411 1.00 0.00 C ATOM 0 H MET B 573 20.526 1.137 9.624 1.00 0.00 H new ATOM 0 HA MET B 573 18.209 1.547 11.423 1.00 0.00 H new ATOM 0 HB2 MET B 573 18.109 1.102 8.427 1.00 0.00 H new ATOM 0 HB3 MET B 573 16.841 1.708 9.474 1.00 0.00 H new ATOM 0 HG2 MET B 573 18.393 3.718 9.927 1.00 0.00 H new ATOM 0 HG3 MET B 573 19.354 3.142 8.579 1.00 0.00 H new ATOM 0 HE1 MET B 573 17.743 4.642 5.611 1.00 0.00 H new ATOM 0 HE2 MET B 573 19.170 4.735 6.671 1.00 0.00 H new ATOM 0 HE3 MET B 573 18.604 3.156 6.076 1.00 0.00 H new ATOM 842 N HIS B 574 18.919 -1.082 9.533 1.00 0.00 N ATOM 843 CA HIS B 574 18.777 -2.531 9.445 1.00 0.00 C ATOM 844 C HIS B 574 20.130 -3.197 9.214 1.00 0.00 C ATOM 845 O HIS B 574 20.436 -3.672 8.120 1.00 0.00 O ATOM 846 CB HIS B 574 17.813 -2.902 8.317 1.00 0.00 C ATOM 847 CG HIS B 574 16.425 -2.378 8.519 1.00 0.00 C ATOM 848 ND1 HIS B 574 15.489 -3.011 9.310 1.00 0.00 N ATOM 849 CD2 HIS B 574 15.815 -1.273 8.029 1.00 0.00 C ATOM 850 CE1 HIS B 574 14.364 -2.319 9.296 1.00 0.00 C ATOM 851 NE2 HIS B 574 14.535 -1.259 8.526 1.00 0.00 N ATOM 0 H HIS B 574 19.439 -0.662 8.762 1.00 0.00 H new ATOM 0 HA HIS B 574 18.373 -2.890 10.391 1.00 0.00 H new ATOM 0 HB2 HIS B 574 18.204 -2.518 7.375 1.00 0.00 H new ATOM 0 HB3 HIS B 574 17.773 -3.988 8.227 1.00 0.00 H new ATOM 0 HD2 HIS B 574 16.254 -0.539 7.370 1.00 0.00 H new ATOM 0 HE1 HIS B 574 13.458 -2.576 9.824 1.00 0.00 H new ATOM 0 HE2 HIS B 574 13.831 -0.547 8.332 1.00 0.00 H new ATOM 859 N PRO B 575 20.959 -3.234 10.267 1.00 0.00 N ATOM 860 CA PRO B 575 22.293 -3.840 10.203 1.00 0.00 C ATOM 861 C PRO B 575 22.234 -5.358 10.072 1.00 0.00 C ATOM 862 O PRO B 575 23.220 -5.998 9.704 1.00 0.00 O ATOM 863 CB PRO B 575 22.927 -3.443 11.539 1.00 0.00 C ATOM 864 CG PRO B 575 21.773 -3.226 12.456 1.00 0.00 C ATOM 865 CD PRO B 575 20.659 -2.688 11.601 1.00 0.00 C ATOM 0 HA PRO B 575 22.854 -3.501 9.332 1.00 0.00 H new ATOM 0 HB2 PRO B 575 23.587 -4.226 11.912 1.00 0.00 H new ATOM 0 HB3 PRO B 575 23.529 -2.540 11.439 1.00 0.00 H new ATOM 0 HG2 PRO B 575 21.479 -4.157 12.940 1.00 0.00 H new ATOM 0 HG3 PRO B 575 22.031 -2.523 13.248 1.00 0.00 H new ATOM 0 HD2 PRO B 575 19.683 -3.016 11.959 1.00 0.00 H new ATOM 0 HD3 PRO B 575 20.647 -1.598 11.596 1.00 0.00 H new ATOM 873 N THR B 576 21.073 -5.930 10.375 1.00 0.00 N ATOM 874 CA THR B 576 20.887 -7.372 10.291 1.00 0.00 C ATOM 875 C THR B 576 21.166 -7.882 8.882 1.00 0.00 C ATOM 876 O THR B 576 21.827 -8.906 8.701 1.00 0.00 O ATOM 877 CB THR B 576 19.457 -7.779 10.698 1.00 0.00 C ATOM 878 OG1 THR B 576 19.123 -7.195 11.962 1.00 0.00 O ATOM 879 CG2 THR B 576 19.328 -9.292 10.782 1.00 0.00 C ATOM 0 H THR B 576 20.247 -5.415 10.681 1.00 0.00 H new ATOM 0 HA THR B 576 21.597 -7.823 10.985 1.00 0.00 H new ATOM 0 HB THR B 576 18.768 -7.414 9.936 1.00 0.00 H new ATOM 0 HG1 THR B 576 18.213 -7.457 12.213 1.00 0.00 H new ATOM 0 HG21 THR B 576 18.310 -9.555 11.071 1.00 0.00 H new ATOM 0 HG22 THR B 576 19.554 -9.731 9.810 1.00 0.00 H new ATOM 0 HG23 THR B 576 20.027 -9.676 11.525 1.00 0.00 H new ATOM 887 N LEU B 577 20.660 -7.163 7.887 1.00 0.00 N ATOM 888 CA LEU B 577 20.856 -7.542 6.492 1.00 0.00 C ATOM 889 C LEU B 577 21.172 -6.321 5.635 1.00 0.00 C ATOM 890 O LEU B 577 20.715 -6.213 4.497 1.00 0.00 O ATOM 891 CB LEU B 577 19.610 -8.248 5.955 1.00 0.00 C ATOM 892 CG LEU B 577 18.841 -9.107 6.958 1.00 0.00 C ATOM 893 CD1 LEU B 577 17.804 -8.272 7.692 1.00 0.00 C ATOM 894 CD2 LEU B 577 18.180 -10.285 6.256 1.00 0.00 C ATOM 0 H LEU B 577 20.111 -6.314 8.020 1.00 0.00 H new ATOM 0 HA LEU B 577 21.703 -8.226 6.443 1.00 0.00 H new ATOM 0 HB2 LEU B 577 18.931 -7.493 5.558 1.00 0.00 H new ATOM 0 HB3 LEU B 577 19.907 -8.880 5.118 1.00 0.00 H new ATOM 0 HG LEU B 577 19.548 -9.496 7.690 1.00 0.00 H new ATOM 0 HD11 LEU B 577 17.267 -8.901 8.402 1.00 0.00 H new ATOM 0 HD12 LEU B 577 18.301 -7.463 8.228 1.00 0.00 H new ATOM 0 HD13 LEU B 577 17.100 -7.852 6.973 1.00 0.00 H new ATOM 0 HD21 LEU B 577 17.637 -10.885 6.986 1.00 0.00 H new ATOM 0 HD22 LEU B 577 17.486 -9.916 5.501 1.00 0.00 H new ATOM 0 HD23 LEU B 577 18.943 -10.898 5.777 1.00 0.00 H new ATOM 906 N ALA B 578 21.959 -5.403 6.188 1.00 0.00 N ATOM 907 CA ALA B 578 22.340 -4.192 5.472 1.00 0.00 C ATOM 908 C ALA B 578 22.844 -4.517 4.071 1.00 0.00 C ATOM 909 O ALA B 578 22.393 -3.933 3.087 1.00 0.00 O ATOM 910 CB ALA B 578 23.400 -3.429 6.253 1.00 0.00 C ATOM 0 H ALA B 578 22.345 -5.475 7.129 1.00 0.00 H new ATOM 0 HA ALA B 578 21.454 -3.564 5.374 1.00 0.00 H new ATOM 0 HB1 ALA B 578 23.675 -2.527 5.707 1.00 0.00 H new ATOM 0 HB2 ALA B 578 23.004 -3.155 7.231 1.00 0.00 H new ATOM 0 HB3 ALA B 578 24.281 -4.058 6.382 1.00 0.00 H new ATOM 916 N GLY B 579 23.784 -5.454 3.987 1.00 0.00 N ATOM 917 CA GLY B 579 24.334 -5.841 2.701 1.00 0.00 C ATOM 918 C GLY B 579 23.273 -6.352 1.746 1.00 0.00 C ATOM 919 O GLY B 579 23.236 -5.960 0.580 1.00 0.00 O ATOM 0 H GLY B 579 24.174 -5.952 4.787 1.00 0.00 H new ATOM 0 HA2 GLY B 579 24.840 -4.985 2.253 1.00 0.00 H new ATOM 0 HA3 GLY B 579 25.087 -6.614 2.850 1.00 0.00 H new ATOM 923 N LYS B 580 22.409 -7.231 2.241 1.00 0.00 N ATOM 924 CA LYS B 580 21.342 -7.798 1.425 1.00 0.00 C ATOM 925 C LYS B 580 20.493 -6.697 0.797 1.00 0.00 C ATOM 926 O LYS B 580 20.404 -6.590 -0.427 1.00 0.00 O ATOM 927 CB LYS B 580 20.458 -8.718 2.271 1.00 0.00 C ATOM 928 CG LYS B 580 21.157 -9.990 2.718 1.00 0.00 C ATOM 929 CD LYS B 580 20.167 -11.120 2.944 1.00 0.00 C ATOM 930 CE LYS B 580 19.638 -11.669 1.628 1.00 0.00 C ATOM 931 NZ LYS B 580 20.526 -12.728 1.072 1.00 0.00 N ATOM 0 H LYS B 580 22.427 -7.567 3.204 1.00 0.00 H new ATOM 0 HA LYS B 580 21.801 -8.380 0.625 1.00 0.00 H new ATOM 0 HB2 LYS B 580 20.117 -8.172 3.151 1.00 0.00 H new ATOM 0 HB3 LYS B 580 19.570 -8.984 1.697 1.00 0.00 H new ATOM 0 HG2 LYS B 580 21.886 -10.289 1.965 1.00 0.00 H new ATOM 0 HG3 LYS B 580 21.709 -9.799 3.638 1.00 0.00 H new ATOM 0 HD2 LYS B 580 20.649 -11.920 3.506 1.00 0.00 H new ATOM 0 HD3 LYS B 580 19.335 -10.761 3.550 1.00 0.00 H new ATOM 0 HE2 LYS B 580 18.638 -12.076 1.780 1.00 0.00 H new ATOM 0 HE3 LYS B 580 19.545 -10.857 0.907 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 20.402 -12.779 0.041 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 21.517 -12.500 1.291 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 20.280 -13.645 1.496 1.00 0.00 H new ATOM 945 N ILE B 581 19.873 -5.880 1.641 1.00 0.00 N ATOM 946 CA ILE B 581 19.035 -4.785 1.168 1.00 0.00 C ATOM 947 C ILE B 581 19.840 -3.798 0.331 1.00 0.00 C ATOM 948 O ILE B 581 19.320 -3.193 -0.608 1.00 0.00 O ATOM 949 CB ILE B 581 18.379 -4.031 2.340 1.00 0.00 C ATOM 950 CG1 ILE B 581 19.447 -3.524 3.311 1.00 0.00 C ATOM 951 CG2 ILE B 581 17.386 -4.932 3.060 1.00 0.00 C ATOM 952 CD1 ILE B 581 18.896 -3.128 4.663 1.00 0.00 C ATOM 0 H ILE B 581 19.935 -5.955 2.656 1.00 0.00 H new ATOM 0 HA ILE B 581 18.255 -5.230 0.550 1.00 0.00 H new ATOM 0 HB ILE B 581 17.839 -3.172 1.943 1.00 0.00 H new ATOM 0 HG12 ILE B 581 20.200 -4.300 3.448 1.00 0.00 H new ATOM 0 HG13 ILE B 581 19.951 -2.665 2.868 1.00 0.00 H new ATOM 0 HG21 ILE B 581 16.931 -4.385 3.886 1.00 0.00 H new ATOM 0 HG22 ILE B 581 16.610 -5.249 2.363 1.00 0.00 H new ATOM 0 HG23 ILE B 581 17.905 -5.809 3.448 1.00 0.00 H new ATOM 0 HD11 ILE B 581 19.709 -2.779 5.299 1.00 0.00 H new ATOM 0 HD12 ILE B 581 18.164 -2.330 4.538 1.00 0.00 H new ATOM 0 HD13 ILE B 581 18.417 -3.990 5.127 1.00 0.00 H new ATOM 964 N THR B 582 21.115 -3.640 0.674 1.00 0.00 N ATOM 965 CA THR B 582 21.993 -2.727 -0.046 1.00 0.00 C ATOM 966 C THR B 582 22.232 -3.206 -1.473 1.00 0.00 C ATOM 967 O THR B 582 22.406 -2.400 -2.387 1.00 0.00 O ATOM 968 CB THR B 582 23.350 -2.575 0.666 1.00 0.00 C ATOM 969 OG1 THR B 582 23.190 -1.813 1.869 1.00 0.00 O ATOM 970 CG2 THR B 582 24.364 -1.893 -0.240 1.00 0.00 C ATOM 0 H THR B 582 21.562 -4.133 1.447 1.00 0.00 H new ATOM 0 HA THR B 582 21.493 -1.759 -0.069 1.00 0.00 H new ATOM 0 HB THR B 582 23.719 -3.571 0.913 1.00 0.00 H new ATOM 0 HG1 THR B 582 22.572 -2.278 2.471 1.00 0.00 H new ATOM 0 HG21 THR B 582 25.314 -1.797 0.285 1.00 0.00 H new ATOM 0 HG22 THR B 582 24.506 -2.490 -1.141 1.00 0.00 H new ATOM 0 HG23 THR B 582 23.999 -0.903 -0.514 1.00 0.00 H new ATOM 978 N GLY B 583 22.239 -4.522 -1.658 1.00 0.00 N ATOM 979 CA GLY B 583 22.457 -5.085 -2.978 1.00 0.00 C ATOM 980 C GLY B 583 21.339 -4.746 -3.944 1.00 0.00 C ATOM 981 O GLY B 583 21.587 -4.230 -5.034 1.00 0.00 O ATOM 0 H GLY B 583 22.098 -5.209 -0.917 1.00 0.00 H new ATOM 0 HA2 GLY B 583 23.402 -4.715 -3.376 1.00 0.00 H new ATOM 0 HA3 GLY B 583 22.548 -6.168 -2.897 1.00 0.00 H new ATOM 985 N MET B 584 20.106 -5.039 -3.546 1.00 0.00 N ATOM 986 CA MET B 584 18.946 -4.763 -4.386 1.00 0.00 C ATOM 987 C MET B 584 18.734 -3.260 -4.542 1.00 0.00 C ATOM 988 O MET B 584 18.442 -2.775 -5.636 1.00 0.00 O ATOM 989 CB MET B 584 17.693 -5.408 -3.790 1.00 0.00 C ATOM 990 CG MET B 584 17.423 -4.996 -2.352 1.00 0.00 C ATOM 991 SD MET B 584 16.602 -6.290 -1.402 1.00 0.00 S ATOM 992 CE MET B 584 14.894 -6.020 -1.868 1.00 0.00 C ATOM 0 H MET B 584 19.884 -5.467 -2.647 1.00 0.00 H new ATOM 0 HA MET B 584 19.132 -5.190 -5.371 1.00 0.00 H new ATOM 0 HB2 MET B 584 16.831 -5.143 -4.403 1.00 0.00 H new ATOM 0 HB3 MET B 584 17.796 -6.492 -3.836 1.00 0.00 H new ATOM 0 HG2 MET B 584 18.365 -4.738 -1.869 1.00 0.00 H new ATOM 0 HG3 MET B 584 16.805 -4.098 -2.345 1.00 0.00 H new ATOM 0 HE1 MET B 584 14.255 -6.723 -1.333 1.00 0.00 H new ATOM 0 HE2 MET B 584 14.604 -5.000 -1.614 1.00 0.00 H new ATOM 0 HE3 MET B 584 14.781 -6.172 -2.941 1.00 0.00 H new ATOM 1002 N LEU B 585 18.882 -2.529 -3.443 1.00 0.00 N ATOM 1003 CA LEU B 585 18.706 -1.081 -3.458 1.00 0.00 C ATOM 1004 C LEU B 585 19.648 -0.429 -4.465 1.00 0.00 C ATOM 1005 O LEU B 585 19.207 0.232 -5.407 1.00 0.00 O ATOM 1006 CB LEU B 585 18.952 -0.503 -2.063 1.00 0.00 C ATOM 1007 CG LEU B 585 17.708 -0.256 -1.210 1.00 0.00 C ATOM 1008 CD1 LEU B 585 16.785 0.744 -1.889 1.00 0.00 C ATOM 1009 CD2 LEU B 585 16.977 -1.563 -0.942 1.00 0.00 C ATOM 0 H LEU B 585 19.123 -2.915 -2.530 1.00 0.00 H new ATOM 0 HA LEU B 585 17.680 -0.867 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU B 585 19.611 -1.182 -1.521 1.00 0.00 H new ATOM 0 HB3 LEU B 585 19.487 0.441 -2.172 1.00 0.00 H new ATOM 0 HG LEU B 585 18.023 0.163 -0.254 1.00 0.00 H new ATOM 0 HD11 LEU B 585 15.905 0.907 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU B 585 17.311 1.688 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU B 585 16.477 0.354 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU B 585 16.094 -1.368 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU B 585 16.674 -2.011 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU B 585 17.639 -2.248 -0.412 1.00 0.00 H new ATOM 1021 N LEU B 586 20.947 -0.619 -4.262 1.00 0.00 N ATOM 1022 CA LEU B 586 21.952 -0.051 -5.153 1.00 0.00 C ATOM 1023 C LEU B 586 21.817 -0.623 -6.561 1.00 0.00 C ATOM 1024 O LEU B 586 22.266 -0.016 -7.533 1.00 0.00 O ATOM 1025 CB LEU B 586 23.356 -0.326 -4.612 1.00 0.00 C ATOM 1026 CG LEU B 586 23.968 -1.676 -4.988 1.00 0.00 C ATOM 1027 CD1 LEU B 586 24.737 -1.567 -6.296 1.00 0.00 C ATOM 1028 CD2 LEU B 586 24.876 -2.179 -3.875 1.00 0.00 C ATOM 0 H LEU B 586 21.329 -1.162 -3.488 1.00 0.00 H new ATOM 0 HA LEU B 586 21.792 1.026 -5.201 1.00 0.00 H new ATOM 0 HB2 LEU B 586 24.021 0.463 -4.965 1.00 0.00 H new ATOM 0 HB3 LEU B 586 23.325 -0.254 -3.525 1.00 0.00 H new ATOM 0 HG LEU B 586 23.160 -2.395 -5.123 1.00 0.00 H new ATOM 0 HD11 LEU B 586 25.166 -2.537 -6.548 1.00 0.00 H new ATOM 0 HD12 LEU B 586 24.061 -1.252 -7.091 1.00 0.00 H new ATOM 0 HD13 LEU B 586 25.537 -0.834 -6.188 1.00 0.00 H new ATOM 0 HD21 LEU B 586 25.303 -3.141 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU B 586 25.679 -1.461 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU B 586 24.298 -2.296 -2.959 1.00 0.00 H new ATOM 1040 N GLU B 587 21.193 -1.792 -6.662 1.00 0.00 N ATOM 1041 CA GLU B 587 20.998 -2.444 -7.952 1.00 0.00 C ATOM 1042 C GLU B 587 19.881 -1.766 -8.740 1.00 0.00 C ATOM 1043 O GLU B 587 19.789 -1.916 -9.959 1.00 0.00 O ATOM 1044 CB GLU B 587 20.671 -3.926 -7.755 1.00 0.00 C ATOM 1045 CG GLU B 587 20.300 -4.644 -9.042 1.00 0.00 C ATOM 1046 CD GLU B 587 20.342 -6.153 -8.901 1.00 0.00 C ATOM 1047 OE1 GLU B 587 20.008 -6.657 -7.808 1.00 0.00 O ATOM 1048 OE2 GLU B 587 20.709 -6.830 -9.884 1.00 0.00 O ATOM 0 H GLU B 587 20.814 -2.307 -5.867 1.00 0.00 H new ATOM 0 HA GLU B 587 21.925 -2.356 -8.519 1.00 0.00 H new ATOM 0 HB2 GLU B 587 21.532 -4.423 -7.307 1.00 0.00 H new ATOM 0 HB3 GLU B 587 19.847 -4.017 -7.048 1.00 0.00 H new ATOM 0 HG2 GLU B 587 19.299 -4.339 -9.348 1.00 0.00 H new ATOM 0 HG3 GLU B 587 20.983 -4.338 -9.834 1.00 0.00 H new ATOM 1055 N ILE B 588 19.036 -1.021 -8.036 1.00 0.00 N ATOM 1056 CA ILE B 588 17.926 -0.320 -8.670 1.00 0.00 C ATOM 1057 C ILE B 588 18.399 0.475 -9.883 1.00 0.00 C ATOM 1058 O ILE B 588 17.973 0.219 -11.009 1.00 0.00 O ATOM 1059 CB ILE B 588 17.228 0.636 -7.685 1.00 0.00 C ATOM 1060 CG1 ILE B 588 16.583 -0.154 -6.544 1.00 0.00 C ATOM 1061 CG2 ILE B 588 16.187 1.476 -8.409 1.00 0.00 C ATOM 1062 CD1 ILE B 588 16.082 0.717 -5.413 1.00 0.00 C ATOM 0 H ILE B 588 19.099 -0.887 -7.027 1.00 0.00 H new ATOM 0 HA ILE B 588 17.215 -1.081 -8.991 1.00 0.00 H new ATOM 0 HB ILE B 588 17.976 1.306 -7.261 1.00 0.00 H new ATOM 0 HG12 ILE B 588 15.750 -0.735 -6.941 1.00 0.00 H new ATOM 0 HG13 ILE B 588 17.309 -0.865 -6.150 1.00 0.00 H new ATOM 0 HG21 ILE B 588 15.703 2.146 -7.699 1.00 0.00 H new ATOM 0 HG22 ILE B 588 16.672 2.063 -9.190 1.00 0.00 H new ATOM 0 HG23 ILE B 588 15.440 0.822 -8.858 1.00 0.00 H new ATOM 0 HD11 ILE B 588 15.637 0.090 -4.640 1.00 0.00 H new ATOM 0 HD12 ILE B 588 16.915 1.279 -4.990 1.00 0.00 H new ATOM 0 HD13 ILE B 588 15.332 1.411 -5.793 1.00 0.00 H new ATOM 1074 N ASP B 589 19.282 1.438 -9.645 1.00 0.00 N ATOM 1075 CA ASP B 589 19.816 2.268 -10.718 1.00 0.00 C ATOM 1076 C ASP B 589 20.763 3.329 -10.164 1.00 0.00 C ATOM 1077 O ASP B 589 20.411 4.072 -9.249 1.00 0.00 O ATOM 1078 CB ASP B 589 18.677 2.936 -11.489 1.00 0.00 C ATOM 1079 CG ASP B 589 18.804 2.748 -12.988 1.00 0.00 C ATOM 1080 OD1 ASP B 589 19.805 3.226 -13.563 1.00 0.00 O ATOM 1081 OD2 ASP B 589 17.905 2.122 -13.586 1.00 0.00 O ATOM 0 H ASP B 589 19.643 1.663 -8.718 1.00 0.00 H new ATOM 0 HA ASP B 589 20.376 1.625 -11.397 1.00 0.00 H new ATOM 0 HB2 ASP B 589 17.725 2.525 -11.154 1.00 0.00 H new ATOM 0 HB3 ASP B 589 18.663 4.001 -11.259 1.00 0.00 H new ATOM 1086 N ASN B 590 21.965 3.393 -10.726 1.00 0.00 N ATOM 1087 CA ASN B 590 22.963 4.361 -10.288 1.00 0.00 C ATOM 1088 C ASN B 590 22.520 5.784 -10.614 1.00 0.00 C ATOM 1089 O ASN B 590 22.910 6.737 -9.938 1.00 0.00 O ATOM 1090 CB ASN B 590 24.312 4.071 -10.950 1.00 0.00 C ATOM 1091 CG ASN B 590 24.785 2.652 -10.700 1.00 0.00 C ATOM 1092 OD1 ASN B 590 24.098 1.688 -11.040 1.00 0.00 O ATOM 1093 ND2 ASN B 590 25.963 2.518 -10.103 1.00 0.00 N ATOM 0 H ASN B 590 22.272 2.786 -11.486 1.00 0.00 H new ATOM 0 HA ASN B 590 23.070 4.271 -9.207 1.00 0.00 H new ATOM 0 HB2 ASN B 590 24.231 4.240 -12.024 1.00 0.00 H new ATOM 0 HB3 ASN B 590 25.057 4.771 -10.572 1.00 0.00 H new ATOM 0 HD21 ASN B 590 26.333 1.588 -9.908 1.00 0.00 H new ATOM 0 HD22 ASN B 590 26.498 3.345 -9.839 1.00 0.00 H new ATOM 1100 N SER B 591 21.703 5.920 -11.653 1.00 0.00 N ATOM 1101 CA SER B 591 21.209 7.227 -12.071 1.00 0.00 C ATOM 1102 C SER B 591 20.364 7.865 -10.973 1.00 0.00 C ATOM 1103 O SER B 591 20.559 9.028 -10.622 1.00 0.00 O ATOM 1104 CB SER B 591 20.386 7.098 -13.354 1.00 0.00 C ATOM 1105 OG SER B 591 19.562 8.235 -13.549 1.00 0.00 O ATOM 0 H SER B 591 21.369 5.141 -12.221 1.00 0.00 H new ATOM 0 HA SER B 591 22.069 7.869 -12.262 1.00 0.00 H new ATOM 0 HB2 SER B 591 21.054 6.978 -14.207 1.00 0.00 H new ATOM 0 HB3 SER B 591 19.768 6.201 -13.305 1.00 0.00 H new ATOM 0 HG SER B 591 19.048 8.128 -14.376 1.00 0.00 H new ATOM 1111 N GLU B 592 19.424 7.094 -10.435 1.00 0.00 N ATOM 1112 CA GLU B 592 18.548 7.584 -9.377 1.00 0.00 C ATOM 1113 C GLU B 592 19.294 7.670 -8.049 1.00 0.00 C ATOM 1114 O GLU B 592 19.169 8.651 -7.315 1.00 0.00 O ATOM 1115 CB GLU B 592 17.328 6.672 -9.232 1.00 0.00 C ATOM 1116 CG GLU B 592 16.511 6.541 -10.506 1.00 0.00 C ATOM 1117 CD GLU B 592 15.430 7.598 -10.617 1.00 0.00 C ATOM 1118 OE1 GLU B 592 14.358 7.418 -10.002 1.00 0.00 O ATOM 1119 OE2 GLU B 592 15.656 8.606 -11.319 1.00 0.00 O ATOM 0 H GLU B 592 19.250 6.129 -10.714 1.00 0.00 H new ATOM 0 HA GLU B 592 18.214 8.585 -9.651 1.00 0.00 H new ATOM 0 HB2 GLU B 592 17.660 5.682 -8.920 1.00 0.00 H new ATOM 0 HB3 GLU B 592 16.688 7.058 -8.438 1.00 0.00 H new ATOM 0 HG2 GLU B 592 17.175 6.613 -11.368 1.00 0.00 H new ATOM 0 HG3 GLU B 592 16.052 5.553 -10.539 1.00 0.00 H new ATOM 1126 N LEU B 593 20.070 6.635 -7.746 1.00 0.00 N ATOM 1127 CA LEU B 593 20.837 6.592 -6.505 1.00 0.00 C ATOM 1128 C LEU B 593 21.707 7.836 -6.359 1.00 0.00 C ATOM 1129 O LEU B 593 21.755 8.451 -5.293 1.00 0.00 O ATOM 1130 CB LEU B 593 21.711 5.337 -6.467 1.00 0.00 C ATOM 1131 CG LEU B 593 20.968 4.003 -6.391 1.00 0.00 C ATOM 1132 CD1 LEU B 593 21.825 2.881 -6.958 1.00 0.00 C ATOM 1133 CD2 LEU B 593 20.567 3.697 -4.956 1.00 0.00 C ATOM 0 H LEU B 593 20.185 5.815 -8.342 1.00 0.00 H new ATOM 0 HA LEU B 593 20.134 6.564 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU B 593 22.340 5.329 -7.357 1.00 0.00 H new ATOM 0 HB3 LEU B 593 22.377 5.408 -5.607 1.00 0.00 H new ATOM 0 HG LEU B 593 20.062 4.079 -6.992 1.00 0.00 H new ATOM 0 HD11 LEU B 593 21.280 1.939 -6.895 1.00 0.00 H new ATOM 0 HD12 LEU B 593 22.061 3.095 -8.000 1.00 0.00 H new ATOM 0 HD13 LEU B 593 22.749 2.804 -6.385 1.00 0.00 H new ATOM 0 HD21 LEU B 593 20.039 2.744 -4.921 1.00 0.00 H new ATOM 0 HD22 LEU B 593 21.460 3.641 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU B 593 19.914 4.487 -4.584 1.00 0.00 H new ATOM 1145 N LEU B 594 22.392 8.203 -7.437 1.00 0.00 N ATOM 1146 CA LEU B 594 23.259 9.376 -7.430 1.00 0.00 C ATOM 1147 C LEU B 594 22.524 10.593 -6.879 1.00 0.00 C ATOM 1148 O LEU B 594 23.124 11.457 -6.239 1.00 0.00 O ATOM 1149 CB LEU B 594 23.765 9.669 -8.844 1.00 0.00 C ATOM 1150 CG LEU B 594 25.234 9.339 -9.113 1.00 0.00 C ATOM 1151 CD1 LEU B 594 25.606 9.691 -10.544 1.00 0.00 C ATOM 1152 CD2 LEU B 594 26.134 10.074 -8.130 1.00 0.00 C ATOM 0 H LEU B 594 22.364 7.705 -8.327 1.00 0.00 H new ATOM 0 HA LEU B 594 24.110 9.164 -6.782 1.00 0.00 H new ATOM 0 HB2 LEU B 594 23.152 9.109 -9.551 1.00 0.00 H new ATOM 0 HB3 LEU B 594 23.607 10.727 -9.053 1.00 0.00 H new ATOM 0 HG LEU B 594 25.377 8.267 -8.975 1.00 0.00 H new ATOM 0 HD11 LEU B 594 26.655 9.449 -10.717 1.00 0.00 H new ATOM 0 HD12 LEU B 594 24.983 9.120 -11.233 1.00 0.00 H new ATOM 0 HD13 LEU B 594 25.447 10.757 -10.710 1.00 0.00 H new ATOM 0 HD21 LEU B 594 27.176 9.828 -8.336 1.00 0.00 H new ATOM 0 HD22 LEU B 594 25.988 11.149 -8.236 1.00 0.00 H new ATOM 0 HD23 LEU B 594 25.884 9.773 -7.113 1.00 0.00 H new ATOM 1164 N HIS B 595 21.220 10.654 -7.129 1.00 0.00 N ATOM 1165 CA HIS B 595 20.401 11.764 -6.654 1.00 0.00 C ATOM 1166 C HIS B 595 19.832 11.467 -5.270 1.00 0.00 C ATOM 1167 O HIS B 595 19.557 12.381 -4.493 1.00 0.00 O ATOM 1168 CB HIS B 595 19.264 12.043 -7.637 1.00 0.00 C ATOM 1169 CG HIS B 595 18.791 13.464 -7.618 1.00 0.00 C ATOM 1170 ND1 HIS B 595 18.896 14.277 -6.510 1.00 0.00 N ATOM 1171 CD2 HIS B 595 18.209 14.216 -8.581 1.00 0.00 C ATOM 1172 CE1 HIS B 595 18.397 15.468 -6.791 1.00 0.00 C ATOM 1173 NE2 HIS B 595 17.974 15.457 -8.042 1.00 0.00 N ATOM 0 H HIS B 595 20.708 9.948 -7.658 1.00 0.00 H new ATOM 0 HA HIS B 595 21.036 12.647 -6.584 1.00 0.00 H new ATOM 0 HB2 HIS B 595 19.596 11.793 -8.645 1.00 0.00 H new ATOM 0 HB3 HIS B 595 18.425 11.386 -7.406 1.00 0.00 H new ATOM 0 HD1 HIS B 595 19.296 14.002 -5.613 1.00 0.00 H new ATOM 0 HD2 HIS B 595 17.973 13.899 -9.586 1.00 0.00 H new ATOM 0 HE1 HIS B 595 18.344 16.307 -6.113 1.00 0.00 H new ATOM 1181 N MET B 596 19.658 10.184 -4.970 1.00 0.00 N ATOM 1182 CA MET B 596 19.121 9.768 -3.680 1.00 0.00 C ATOM 1183 C MET B 596 20.141 9.995 -2.568 1.00 0.00 C ATOM 1184 O MET B 596 19.783 10.096 -1.394 1.00 0.00 O ATOM 1185 CB MET B 596 18.717 8.293 -3.723 1.00 0.00 C ATOM 1186 CG MET B 596 17.429 8.039 -4.489 1.00 0.00 C ATOM 1187 SD MET B 596 17.383 6.404 -5.249 1.00 0.00 S ATOM 1188 CE MET B 596 18.045 5.397 -3.924 1.00 0.00 C ATOM 0 H MET B 596 19.881 9.415 -5.602 1.00 0.00 H new ATOM 0 HA MET B 596 18.239 10.373 -3.470 1.00 0.00 H new ATOM 0 HB2 MET B 596 19.522 7.717 -4.180 1.00 0.00 H new ATOM 0 HB3 MET B 596 18.602 7.926 -2.703 1.00 0.00 H new ATOM 0 HG2 MET B 596 16.581 8.145 -3.812 1.00 0.00 H new ATOM 0 HG3 MET B 596 17.315 8.798 -5.263 1.00 0.00 H new ATOM 0 HE1 MET B 596 17.917 4.343 -4.169 1.00 0.00 H new ATOM 0 HE2 MET B 596 19.106 5.614 -3.798 1.00 0.00 H new ATOM 0 HE3 MET B 596 17.516 5.621 -2.998 1.00 0.00 H new ATOM 1198 N LEU B 597 21.413 10.073 -2.946 1.00 0.00 N ATOM 1199 CA LEU B 597 22.485 10.287 -1.980 1.00 0.00 C ATOM 1200 C LEU B 597 22.152 11.445 -1.044 1.00 0.00 C ATOM 1201 O LEU B 597 22.232 11.310 0.176 1.00 0.00 O ATOM 1202 CB LEU B 597 23.803 10.567 -2.706 1.00 0.00 C ATOM 1203 CG LEU B 597 24.149 9.620 -3.856 1.00 0.00 C ATOM 1204 CD1 LEU B 597 25.569 9.869 -4.343 1.00 0.00 C ATOM 1205 CD2 LEU B 597 23.978 8.171 -3.424 1.00 0.00 C ATOM 0 H LEU B 597 21.726 9.991 -3.913 1.00 0.00 H new ATOM 0 HA LEU B 597 22.590 9.381 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU B 597 23.771 11.584 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU B 597 24.612 10.531 -1.976 1.00 0.00 H new ATOM 0 HG LEU B 597 23.464 9.815 -4.681 1.00 0.00 H new ATOM 0 HD11 LEU B 597 25.798 9.186 -5.161 1.00 0.00 H new ATOM 0 HD12 LEU B 597 25.659 10.898 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU B 597 26.269 9.702 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU B 597 24.229 7.512 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU B 597 24.639 7.962 -2.583 1.00 0.00 H new ATOM 0 HD23 LEU B 597 22.944 8.000 -3.124 1.00 0.00 H new ATOM 1217 N GLU B 598 21.775 12.580 -1.625 1.00 0.00 N ATOM 1218 CA GLU B 598 21.428 13.759 -0.842 1.00 0.00 C ATOM 1219 C GLU B 598 19.917 13.868 -0.663 1.00 0.00 C ATOM 1220 O GLU B 598 19.391 14.943 -0.372 1.00 0.00 O ATOM 1221 CB GLU B 598 21.965 15.023 -1.517 1.00 0.00 C ATOM 1222 CG GLU B 598 21.178 15.436 -2.749 1.00 0.00 C ATOM 1223 CD GLU B 598 21.884 16.505 -3.561 1.00 0.00 C ATOM 1224 OE1 GLU B 598 23.100 16.360 -3.804 1.00 0.00 O ATOM 1225 OE2 GLU B 598 21.219 17.487 -3.953 1.00 0.00 O ATOM 0 H GLU B 598 21.702 12.707 -2.634 1.00 0.00 H new ATOM 0 HA GLU B 598 21.887 13.658 0.142 1.00 0.00 H new ATOM 0 HB2 GLU B 598 21.954 15.842 -0.798 1.00 0.00 H new ATOM 0 HB3 GLU B 598 23.005 14.860 -1.798 1.00 0.00 H new ATOM 0 HG2 GLU B 598 21.008 14.561 -3.377 1.00 0.00 H new ATOM 0 HG3 GLU B 598 20.199 15.805 -2.443 1.00 0.00 H new ATOM 1232 N SER B 599 19.224 12.748 -0.839 1.00 0.00 N ATOM 1233 CA SER B 599 17.772 12.717 -0.702 1.00 0.00 C ATOM 1234 C SER B 599 17.358 11.862 0.492 1.00 0.00 C ATOM 1235 O SER B 599 16.961 10.705 0.351 1.00 0.00 O ATOM 1236 CB SER B 599 17.129 12.176 -1.980 1.00 0.00 C ATOM 1237 OG SER B 599 15.790 12.622 -2.106 1.00 0.00 O ATOM 0 H SER B 599 19.644 11.850 -1.077 1.00 0.00 H new ATOM 0 HA SER B 599 17.425 13.737 -0.534 1.00 0.00 H new ATOM 0 HB2 SER B 599 17.706 12.499 -2.846 1.00 0.00 H new ATOM 0 HB3 SER B 599 17.153 11.086 -1.970 1.00 0.00 H new ATOM 0 HG SER B 599 15.402 12.264 -2.932 1.00 0.00 H new ATOM 1243 N PRO B 600 17.451 12.443 1.697 1.00 0.00 N ATOM 1244 CA PRO B 600 17.090 11.754 2.939 1.00 0.00 C ATOM 1245 C PRO B 600 15.587 11.523 3.058 1.00 0.00 C ATOM 1246 O PRO B 600 15.127 10.832 3.966 1.00 0.00 O ATOM 1247 CB PRO B 600 17.572 12.713 4.030 1.00 0.00 C ATOM 1248 CG PRO B 600 17.569 14.055 3.383 1.00 0.00 C ATOM 1249 CD PRO B 600 17.916 13.819 1.939 1.00 0.00 C ATOM 0 HA PRO B 600 17.536 10.761 2.998 1.00 0.00 H new ATOM 0 HB2 PRO B 600 16.912 12.690 4.897 1.00 0.00 H new ATOM 0 HB3 PRO B 600 18.569 12.445 4.381 1.00 0.00 H new ATOM 0 HG2 PRO B 600 16.593 14.531 3.477 1.00 0.00 H new ATOM 0 HG3 PRO B 600 18.294 14.718 3.855 1.00 0.00 H new ATOM 0 HD2 PRO B 600 17.417 14.533 1.284 1.00 0.00 H new ATOM 0 HD3 PRO B 600 18.987 13.918 1.762 1.00 0.00 H new ATOM 1257 N GLU B 601 14.829 12.106 2.135 1.00 0.00 N ATOM 1258 CA GLU B 601 13.378 11.964 2.139 1.00 0.00 C ATOM 1259 C GLU B 601 12.944 10.789 1.267 1.00 0.00 C ATOM 1260 O GLU B 601 11.813 10.313 1.365 1.00 0.00 O ATOM 1261 CB GLU B 601 12.715 13.252 1.645 1.00 0.00 C ATOM 1262 CG GLU B 601 13.153 13.666 0.251 1.00 0.00 C ATOM 1263 CD GLU B 601 12.267 14.743 -0.343 1.00 0.00 C ATOM 1264 OE1 GLU B 601 12.398 15.914 0.073 1.00 0.00 O ATOM 1265 OE2 GLU B 601 11.444 14.417 -1.224 1.00 0.00 O ATOM 0 H GLU B 601 15.195 12.680 1.376 1.00 0.00 H new ATOM 0 HA GLU B 601 13.061 11.771 3.164 1.00 0.00 H new ATOM 0 HB2 GLU B 601 11.633 13.120 1.652 1.00 0.00 H new ATOM 0 HB3 GLU B 601 12.942 14.058 2.342 1.00 0.00 H new ATOM 0 HG2 GLU B 601 14.181 14.027 0.289 1.00 0.00 H new ATOM 0 HG3 GLU B 601 13.146 12.793 -0.402 1.00 0.00 H new ATOM 1272 N SER B 602 13.852 10.328 0.412 1.00 0.00 N ATOM 1273 CA SER B 602 13.563 9.212 -0.481 1.00 0.00 C ATOM 1274 C SER B 602 14.264 7.942 -0.008 1.00 0.00 C ATOM 1275 O SER B 602 13.671 6.863 0.013 1.00 0.00 O ATOM 1276 CB SER B 602 13.999 9.548 -1.908 1.00 0.00 C ATOM 1277 OG SER B 602 13.089 10.443 -2.523 1.00 0.00 O ATOM 0 H SER B 602 14.793 10.710 0.319 1.00 0.00 H new ATOM 0 HA SER B 602 12.487 9.038 -0.469 1.00 0.00 H new ATOM 0 HB2 SER B 602 14.995 9.991 -1.892 1.00 0.00 H new ATOM 0 HB3 SER B 602 14.067 8.633 -2.496 1.00 0.00 H new ATOM 0 HG SER B 602 13.392 10.643 -3.433 1.00 0.00 H new ATOM 1283 N LEU B 603 15.530 8.078 0.370 1.00 0.00 N ATOM 1284 CA LEU B 603 16.314 6.943 0.843 1.00 0.00 C ATOM 1285 C LEU B 603 15.560 6.173 1.923 1.00 0.00 C ATOM 1286 O LEU B 603 15.395 4.957 1.831 1.00 0.00 O ATOM 1287 CB LEU B 603 17.662 7.419 1.386 1.00 0.00 C ATOM 1288 CG LEU B 603 18.525 6.356 2.067 1.00 0.00 C ATOM 1289 CD1 LEU B 603 19.111 5.405 1.035 1.00 0.00 C ATOM 1290 CD2 LEU B 603 19.632 7.009 2.882 1.00 0.00 C ATOM 0 H LEU B 603 16.036 8.964 0.358 1.00 0.00 H new ATOM 0 HA LEU B 603 16.486 6.275 -0.001 1.00 0.00 H new ATOM 0 HB2 LEU B 603 18.232 7.848 0.562 1.00 0.00 H new ATOM 0 HB3 LEU B 603 17.480 8.223 2.100 1.00 0.00 H new ATOM 0 HG LEU B 603 17.893 5.781 2.745 1.00 0.00 H new ATOM 0 HD11 LEU B 603 19.722 4.655 1.537 1.00 0.00 H new ATOM 0 HD12 LEU B 603 18.303 4.912 0.494 1.00 0.00 H new ATOM 0 HD13 LEU B 603 19.728 5.965 0.333 1.00 0.00 H new ATOM 0 HD21 LEU B 603 20.236 6.237 3.359 1.00 0.00 H new ATOM 0 HD22 LEU B 603 20.262 7.608 2.225 1.00 0.00 H new ATOM 0 HD23 LEU B 603 19.192 7.650 3.646 1.00 0.00 H new ATOM 1302 N ARG B 604 15.104 6.891 2.944 1.00 0.00 N ATOM 1303 CA ARG B 604 14.367 6.275 4.041 1.00 0.00 C ATOM 1304 C ARG B 604 13.211 5.431 3.513 1.00 0.00 C ATOM 1305 O ARG B 604 13.097 4.247 3.833 1.00 0.00 O ATOM 1306 CB ARG B 604 13.835 7.349 4.992 1.00 0.00 C ATOM 1307 CG ARG B 604 14.914 8.274 5.531 1.00 0.00 C ATOM 1308 CD ARG B 604 15.878 7.532 6.444 1.00 0.00 C ATOM 1309 NE ARG B 604 17.117 8.277 6.652 1.00 0.00 N ATOM 1310 CZ ARG B 604 17.929 8.079 7.686 1.00 0.00 C ATOM 1311 NH1 ARG B 604 17.633 7.165 8.600 1.00 0.00 N ATOM 1312 NH2 ARG B 604 19.038 8.797 7.806 1.00 0.00 N ATOM 0 H ARG B 604 15.232 7.899 3.035 1.00 0.00 H new ATOM 0 HA ARG B 604 15.051 5.624 4.585 1.00 0.00 H new ATOM 0 HB2 ARG B 604 13.085 7.944 4.471 1.00 0.00 H new ATOM 0 HB3 ARG B 604 13.332 6.864 5.829 1.00 0.00 H new ATOM 0 HG2 ARG B 604 15.465 8.716 4.700 1.00 0.00 H new ATOM 0 HG3 ARG B 604 14.451 9.095 6.079 1.00 0.00 H new ATOM 0 HD2 ARG B 604 15.399 7.350 7.406 1.00 0.00 H new ATOM 0 HD3 ARG B 604 16.109 6.558 6.013 1.00 0.00 H new ATOM 0 HE ARG B 604 17.373 8.988 5.967 1.00 0.00 H new ATOM 0 HH11 ARG B 604 16.781 6.612 8.511 1.00 0.00 H new ATOM 0 HH12 ARG B 604 18.258 7.015 9.392 1.00 0.00 H new ATOM 0 HH21 ARG B 604 19.268 9.501 7.105 1.00 0.00 H new ATOM 0 HH22 ARG B 604 19.661 8.645 8.599 1.00 0.00 H new ATOM 1326 N SER B 605 12.356 6.047 2.704 1.00 0.00 N ATOM 1327 CA SER B 605 11.206 5.354 2.135 1.00 0.00 C ATOM 1328 C SER B 605 11.635 4.057 1.456 1.00 0.00 C ATOM 1329 O SER B 605 11.008 3.012 1.632 1.00 0.00 O ATOM 1330 CB SER B 605 10.486 6.255 1.131 1.00 0.00 C ATOM 1331 OG SER B 605 9.700 7.231 1.793 1.00 0.00 O ATOM 0 H SER B 605 12.438 7.025 2.427 1.00 0.00 H new ATOM 0 HA SER B 605 10.522 5.109 2.948 1.00 0.00 H new ATOM 0 HB2 SER B 605 11.217 6.747 0.489 1.00 0.00 H new ATOM 0 HB3 SER B 605 9.851 5.649 0.485 1.00 0.00 H new ATOM 0 HG SER B 605 9.251 7.795 1.129 1.00 0.00 H new ATOM 1337 N LYS B 606 12.709 4.132 0.677 1.00 0.00 N ATOM 1338 CA LYS B 606 13.226 2.966 -0.029 1.00 0.00 C ATOM 1339 C LYS B 606 13.544 1.836 0.945 1.00 0.00 C ATOM 1340 O LYS B 606 13.044 0.721 0.802 1.00 0.00 O ATOM 1341 CB LYS B 606 14.481 3.339 -0.822 1.00 0.00 C ATOM 1342 CG LYS B 606 14.391 2.997 -2.299 1.00 0.00 C ATOM 1343 CD LYS B 606 15.442 3.739 -3.108 1.00 0.00 C ATOM 1344 CE LYS B 606 15.005 3.924 -4.553 1.00 0.00 C ATOM 1345 NZ LYS B 606 14.277 5.207 -4.753 1.00 0.00 N ATOM 0 H LYS B 606 13.239 4.989 0.519 1.00 0.00 H new ATOM 0 HA LYS B 606 12.457 2.620 -0.720 1.00 0.00 H new ATOM 0 HB2 LYS B 606 14.663 4.408 -0.716 1.00 0.00 H new ATOM 0 HB3 LYS B 606 15.340 2.825 -0.390 1.00 0.00 H new ATOM 0 HG2 LYS B 606 14.519 1.923 -2.433 1.00 0.00 H new ATOM 0 HG3 LYS B 606 13.398 3.249 -2.672 1.00 0.00 H new ATOM 0 HD2 LYS B 606 15.630 4.713 -2.656 1.00 0.00 H new ATOM 0 HD3 LYS B 606 16.382 3.187 -3.079 1.00 0.00 H new ATOM 0 HE2 LYS B 606 15.880 3.898 -5.203 1.00 0.00 H new ATOM 0 HE3 LYS B 606 14.364 3.093 -4.848 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 13.599 5.103 -5.535 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 13.766 5.455 -3.882 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 14.957 5.960 -4.982 1.00 0.00 H new ATOM 1359 N VAL B 607 14.378 2.133 1.936 1.00 0.00 N ATOM 1360 CA VAL B 607 14.761 1.143 2.936 1.00 0.00 C ATOM 1361 C VAL B 607 13.534 0.474 3.544 1.00 0.00 C ATOM 1362 O VAL B 607 13.421 -0.752 3.548 1.00 0.00 O ATOM 1363 CB VAL B 607 15.597 1.778 4.063 1.00 0.00 C ATOM 1364 CG1 VAL B 607 16.062 0.715 5.047 1.00 0.00 C ATOM 1365 CG2 VAL B 607 16.783 2.535 3.484 1.00 0.00 C ATOM 0 H VAL B 607 14.802 3.051 2.068 1.00 0.00 H new ATOM 0 HA VAL B 607 15.365 0.393 2.424 1.00 0.00 H new ATOM 0 HB VAL B 607 14.969 2.488 4.602 1.00 0.00 H new ATOM 0 HG11 VAL B 607 16.651 1.182 5.836 1.00 0.00 H new ATOM 0 HG12 VAL B 607 15.195 0.221 5.486 1.00 0.00 H new ATOM 0 HG13 VAL B 607 16.674 -0.021 4.525 1.00 0.00 H new ATOM 0 HG21 VAL B 607 17.363 2.977 4.294 1.00 0.00 H new ATOM 0 HG22 VAL B 607 17.413 1.847 2.920 1.00 0.00 H new ATOM 0 HG23 VAL B 607 16.424 3.323 2.823 1.00 0.00 H new ATOM 1375 N ASP B 608 12.617 1.286 4.057 1.00 0.00 N ATOM 1376 CA ASP B 608 11.396 0.773 4.667 1.00 0.00 C ATOM 1377 C ASP B 608 10.599 -0.062 3.669 1.00 0.00 C ATOM 1378 O ASP B 608 10.094 -1.133 4.006 1.00 0.00 O ATOM 1379 CB ASP B 608 10.536 1.926 5.187 1.00 0.00 C ATOM 1380 CG ASP B 608 9.415 1.452 6.091 1.00 0.00 C ATOM 1381 OD1 ASP B 608 9.717 0.914 7.177 1.00 0.00 O ATOM 1382 OD2 ASP B 608 8.237 1.619 5.713 1.00 0.00 O ATOM 0 H ASP B 608 12.696 2.303 4.063 1.00 0.00 H new ATOM 0 HA ASP B 608 11.679 0.135 5.504 1.00 0.00 H new ATOM 0 HB2 ASP B 608 11.167 2.628 5.733 1.00 0.00 H new ATOM 0 HB3 ASP B 608 10.112 2.469 4.342 1.00 0.00 H new ATOM 1387 N GLU B 609 10.491 0.436 2.441 1.00 0.00 N ATOM 1388 CA GLU B 609 9.754 -0.264 1.396 1.00 0.00 C ATOM 1389 C GLU B 609 10.277 -1.688 1.222 1.00 0.00 C ATOM 1390 O GLU B 609 9.501 -2.640 1.142 1.00 0.00 O ATOM 1391 CB GLU B 609 9.859 0.495 0.072 1.00 0.00 C ATOM 1392 CG GLU B 609 8.957 1.715 -0.003 1.00 0.00 C ATOM 1393 CD GLU B 609 7.555 1.377 -0.470 1.00 0.00 C ATOM 1394 OE1 GLU B 609 7.169 0.193 -0.379 1.00 0.00 O ATOM 1395 OE2 GLU B 609 6.843 2.296 -0.927 1.00 0.00 O ATOM 0 H GLU B 609 10.904 1.321 2.146 1.00 0.00 H new ATOM 0 HA GLU B 609 8.707 -0.314 1.696 1.00 0.00 H new ATOM 0 HB2 GLU B 609 10.892 0.808 -0.077 1.00 0.00 H new ATOM 0 HB3 GLU B 609 9.610 -0.181 -0.746 1.00 0.00 H new ATOM 0 HG2 GLU B 609 8.905 2.185 0.979 1.00 0.00 H new ATOM 0 HG3 GLU B 609 9.396 2.445 -0.683 1.00 0.00 H new ATOM 1402 N ALA B 610 11.598 -1.823 1.163 1.00 0.00 N ATOM 1403 CA ALA B 610 12.225 -3.129 1.000 1.00 0.00 C ATOM 1404 C ALA B 610 11.946 -4.026 2.201 1.00 0.00 C ATOM 1405 O ALA B 610 11.389 -5.114 2.060 1.00 0.00 O ATOM 1406 CB ALA B 610 13.724 -2.972 0.792 1.00 0.00 C ATOM 0 H ALA B 610 12.254 -1.045 1.226 1.00 0.00 H new ATOM 0 HA ALA B 610 11.795 -3.604 0.118 1.00 0.00 H new ATOM 0 HB1 ALA B 610 14.180 -3.955 0.672 1.00 0.00 H new ATOM 0 HB2 ALA B 610 13.907 -2.375 -0.102 1.00 0.00 H new ATOM 0 HB3 ALA B 610 14.161 -2.473 1.657 1.00 0.00 H new ATOM 1412 N VAL B 611 12.338 -3.562 3.383 1.00 0.00 N ATOM 1413 CA VAL B 611 12.130 -4.323 4.610 1.00 0.00 C ATOM 1414 C VAL B 611 10.687 -4.802 4.721 1.00 0.00 C ATOM 1415 O VAL B 611 10.421 -5.888 5.233 1.00 0.00 O ATOM 1416 CB VAL B 611 12.480 -3.486 5.855 1.00 0.00 C ATOM 1417 CG1 VAL B 611 12.194 -4.274 7.125 1.00 0.00 C ATOM 1418 CG2 VAL B 611 13.934 -3.043 5.808 1.00 0.00 C ATOM 0 H VAL B 611 12.801 -2.663 3.517 1.00 0.00 H new ATOM 0 HA VAL B 611 12.793 -5.187 4.564 1.00 0.00 H new ATOM 0 HB VAL B 611 11.853 -2.594 5.860 1.00 0.00 H new ATOM 0 HG11 VAL B 611 12.447 -3.667 7.994 1.00 0.00 H new ATOM 0 HG12 VAL B 611 11.136 -4.536 7.161 1.00 0.00 H new ATOM 0 HG13 VAL B 611 12.793 -5.184 7.131 1.00 0.00 H new ATOM 0 HG21 VAL B 611 14.163 -2.453 6.695 1.00 0.00 H new ATOM 0 HG22 VAL B 611 14.581 -3.920 5.778 1.00 0.00 H new ATOM 0 HG23 VAL B 611 14.101 -2.438 4.917 1.00 0.00 H new ATOM 1428 N ALA B 612 9.759 -3.983 4.238 1.00 0.00 N ATOM 1429 CA ALA B 612 8.342 -4.323 4.281 1.00 0.00 C ATOM 1430 C ALA B 612 7.994 -5.359 3.217 1.00 0.00 C ATOM 1431 O ALA B 612 7.154 -6.232 3.437 1.00 0.00 O ATOM 1432 CB ALA B 612 7.493 -3.074 4.101 1.00 0.00 C ATOM 0 H ALA B 612 9.963 -3.079 3.812 1.00 0.00 H new ATOM 0 HA ALA B 612 8.128 -4.757 5.258 1.00 0.00 H new ATOM 0 HB1 ALA B 612 6.437 -3.344 4.135 1.00 0.00 H new ATOM 0 HB2 ALA B 612 7.713 -2.366 4.900 1.00 0.00 H new ATOM 0 HB3 ALA B 612 7.719 -2.616 3.138 1.00 0.00 H new ATOM 1438 N VAL B 613 8.645 -5.257 2.063 1.00 0.00 N ATOM 1439 CA VAL B 613 8.405 -6.186 0.965 1.00 0.00 C ATOM 1440 C VAL B 613 8.600 -7.630 1.413 1.00 0.00 C ATOM 1441 O VAL B 613 8.028 -8.554 0.834 1.00 0.00 O ATOM 1442 CB VAL B 613 9.338 -5.900 -0.227 1.00 0.00 C ATOM 1443 CG1 VAL B 613 10.528 -6.847 -0.213 1.00 0.00 C ATOM 1444 CG2 VAL B 613 8.575 -6.008 -1.538 1.00 0.00 C ATOM 0 H VAL B 613 9.343 -4.540 1.864 1.00 0.00 H new ATOM 0 HA VAL B 613 7.371 -6.043 0.651 1.00 0.00 H new ATOM 0 HB VAL B 613 9.714 -4.881 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL B 613 11.176 -6.630 -1.062 1.00 0.00 H new ATOM 0 HG12 VAL B 613 11.087 -6.715 0.713 1.00 0.00 H new ATOM 0 HG13 VAL B 613 10.175 -7.876 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL B 613 9.249 -5.803 -2.369 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.168 -7.014 -1.640 1.00 0.00 H new ATOM 0 HG23 VAL B 613 7.760 -5.285 -1.545 1.00 0.00 H new ATOM 1454 N LEU B 614 9.410 -7.817 2.449 1.00 0.00 N ATOM 1455 CA LEU B 614 9.681 -9.150 2.978 1.00 0.00 C ATOM 1456 C LEU B 614 8.470 -9.695 3.728 1.00 0.00 C ATOM 1457 O LEU B 614 7.975 -10.779 3.421 1.00 0.00 O ATOM 1458 CB LEU B 614 10.896 -9.115 3.906 1.00 0.00 C ATOM 1459 CG LEU B 614 11.195 -10.405 4.669 1.00 0.00 C ATOM 1460 CD1 LEU B 614 10.399 -10.457 5.964 1.00 0.00 C ATOM 1461 CD2 LEU B 614 10.890 -11.619 3.804 1.00 0.00 C ATOM 0 H LEU B 614 9.891 -7.063 2.940 1.00 0.00 H new ATOM 0 HA LEU B 614 9.892 -9.811 2.137 1.00 0.00 H new ATOM 0 HB2 LEU B 614 11.773 -8.855 3.313 1.00 0.00 H new ATOM 0 HB3 LEU B 614 10.752 -8.313 4.630 1.00 0.00 H new ATOM 0 HG LEU B 614 12.256 -10.419 4.919 1.00 0.00 H new ATOM 0 HD11 LEU B 614 10.625 -11.383 6.493 1.00 0.00 H new ATOM 0 HD12 LEU B 614 10.667 -9.606 6.590 1.00 0.00 H new ATOM 0 HD13 LEU B 614 9.333 -10.420 5.738 1.00 0.00 H new ATOM 0 HD21 LEU B 614 11.109 -12.529 4.363 1.00 0.00 H new ATOM 0 HD22 LEU B 614 9.837 -11.610 3.523 1.00 0.00 H new ATOM 0 HD23 LEU B 614 11.506 -11.589 2.905 1.00 0.00 H new ATOM 1473 N GLN B 615 7.996 -8.934 4.709 1.00 0.00 N ATOM 1474 CA GLN B 615 6.842 -9.340 5.501 1.00 0.00 C ATOM 1475 C GLN B 615 5.670 -9.718 4.601 1.00 0.00 C ATOM 1476 O GLN B 615 4.848 -10.562 4.957 1.00 0.00 O ATOM 1477 CB GLN B 615 6.428 -8.216 6.453 1.00 0.00 C ATOM 1478 CG GLN B 615 7.582 -7.649 7.263 1.00 0.00 C ATOM 1479 CD GLN B 615 7.174 -7.268 8.673 1.00 0.00 C ATOM 1480 OE1 GLN B 615 6.247 -7.846 9.240 1.00 0.00 O ATOM 1481 NE2 GLN B 615 7.867 -6.291 9.246 1.00 0.00 N ATOM 0 H GLN B 615 8.394 -8.033 4.974 1.00 0.00 H new ATOM 0 HA GLN B 615 7.125 -10.215 6.086 1.00 0.00 H new ATOM 0 HB2 GLN B 615 5.971 -7.412 5.876 1.00 0.00 H new ATOM 0 HB3 GLN B 615 5.666 -8.592 7.136 1.00 0.00 H new ATOM 0 HG2 GLN B 615 8.385 -8.384 7.308 1.00 0.00 H new ATOM 0 HG3 GLN B 615 7.981 -6.771 6.755 1.00 0.00 H new ATOM 0 HE21 GLN B 615 8.628 -5.840 8.738 1.00 0.00 H new ATOM 0 HE22 GLN B 615 7.638 -5.992 10.194 1.00 0.00 H new ATOM 1490 N ALA B 616 5.599 -9.087 3.434 1.00 0.00 N ATOM 1491 CA ALA B 616 4.529 -9.358 2.482 1.00 0.00 C ATOM 1492 C ALA B 616 4.654 -10.761 1.900 1.00 0.00 C ATOM 1493 O ALA B 616 3.652 -11.435 1.657 1.00 0.00 O ATOM 1494 CB ALA B 616 4.537 -8.320 1.369 1.00 0.00 C ATOM 0 H ALA B 616 6.270 -8.384 3.125 1.00 0.00 H new ATOM 0 HA ALA B 616 3.580 -9.297 3.014 1.00 0.00 H new ATOM 0 HB1 ALA B 616 3.733 -8.535 0.665 1.00 0.00 H new ATOM 0 HB2 ALA B 616 4.390 -7.328 1.796 1.00 0.00 H new ATOM 0 HB3 ALA B 616 5.494 -8.353 0.848 1.00 0.00 H new