USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=12 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 Single : A 79 ASN : amide:sc= -0.229 K(o=-0.23,f=-1.8!) USER MOD Single : A 81 HIS :FLIP no HD1:sc= -1.88! C(o=-3.5!,f=-1.9!) USER MOD Single : B 556 GLN : amide:sc= -0.0764 K(o=-0.076,f=-1.8!) USER MOD Single : B 558 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.038) USER MOD Single : B 559 LYS NZ :NH3+ -168:sc= -0.0359 (180deg=-0.295) USER MOD Single : B 560 GLN : amide:sc= -1.91 K(o=-1.9,f=-11!) USER MOD Single : B 561 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 571 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : B 573 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 574 HIS : no HD1:sc= -0.77 X(o=-0.77,f=-1.2) USER MOD Single : B 576 THR OG1 : rot 180:sc= 0 USER MOD Single : B 580 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 582 THR OG1 : rot 72:sc= 1.31 USER MOD Single : B 584 MET CE :methyl -115:sc= -3.68 (180deg=-9.81!) USER MOD Single : B 590 ASN : amide:sc= -1.98 K(o=-2,f=-3.6!) USER MOD Single : B 591 SER OG : rot 180:sc= 0 USER MOD Single : B 595 HIS : no HE2:sc= 0.377 K(o=0.38,f=-1.4) USER MOD Single : B 596 MET CE :methyl 164:sc= -0.699 (180deg=-1.65) USER MOD Single : B 599 SER OG : rot 180:sc= 0 USER MOD Single : B 602 SER OG : rot 180:sc= 0 USER MOD Single : B 605 SER OG : rot 180:sc= 0 USER MOD Single : B 606 LYS NZ :NH3+ 166:sc= -0.0595 (180deg=-0.341) USER MOD Single : B 615 GLN : amide:sc= -0.286 K(o=-0.29,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 67 N VAL A 77 9.127 -2.643 -6.107 1.00 0.00 N ATOM 68 CA VAL A 77 8.950 -4.062 -5.822 1.00 0.00 C ATOM 69 C VAL A 77 10.294 -4.754 -5.624 1.00 0.00 C ATOM 70 O VAL A 77 10.765 -5.507 -6.477 1.00 0.00 O ATOM 71 CB VAL A 77 8.183 -4.771 -6.955 1.00 0.00 C ATOM 72 CG1 VAL A 77 6.709 -4.398 -6.915 1.00 0.00 C ATOM 73 CG2 VAL A 77 8.792 -4.428 -8.306 1.00 0.00 C ATOM 0 HA VAL A 77 8.370 -4.130 -4.902 1.00 0.00 H new ATOM 0 HB VAL A 77 8.265 -5.848 -6.808 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.183 -4.908 -7.722 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.283 -4.699 -5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.603 -3.320 -7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.238 -4.937 -9.095 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.742 -3.351 -8.465 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.833 -4.750 -8.328 1.00 0.00 H new ATOM 83 N PRO A 78 10.929 -4.495 -4.471 1.00 0.00 N ATOM 84 CA PRO A 78 12.227 -5.084 -4.132 1.00 0.00 C ATOM 85 C PRO A 78 12.131 -6.581 -3.856 1.00 0.00 C ATOM 86 O PRO A 78 11.283 -7.026 -3.085 1.00 0.00 O ATOM 87 CB PRO A 78 12.638 -4.333 -2.863 1.00 0.00 C ATOM 88 CG PRO A 78 11.353 -3.883 -2.257 1.00 0.00 C ATOM 89 CD PRO A 78 10.426 -3.608 -3.408 1.00 0.00 C ATOM 0 HA PRO A 78 12.942 -4.991 -4.950 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.192 -4.979 -2.182 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.284 -3.486 -3.095 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.942 -4.649 -1.600 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.499 -2.989 -1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.391 -3.834 -3.153 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.459 -2.561 -3.709 1.00 0.00 H new ATOM 97 N ASN A 79 13.006 -7.353 -4.493 1.00 0.00 N ATOM 98 CA ASN A 79 13.019 -8.800 -4.316 1.00 0.00 C ATOM 99 C ASN A 79 13.784 -9.187 -3.054 1.00 0.00 C ATOM 100 O ASN A 79 15.015 -9.156 -3.026 1.00 0.00 O ATOM 101 CB ASN A 79 13.648 -9.478 -5.535 1.00 0.00 C ATOM 102 CG ASN A 79 12.907 -10.736 -5.944 1.00 0.00 C ATOM 103 OD1 ASN A 79 11.706 -10.868 -5.704 1.00 0.00 O ATOM 104 ND2 ASN A 79 13.620 -11.669 -6.563 1.00 0.00 N ATOM 0 H ASN A 79 13.715 -7.000 -5.136 1.00 0.00 H new ATOM 0 HA ASN A 79 11.988 -9.138 -4.212 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.659 -8.778 -6.371 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.686 -9.727 -5.314 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.175 -12.537 -6.860 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.613 -11.518 -6.741 1.00 0.00 H new ATOM 111 N VAL A 80 13.047 -9.552 -2.010 1.00 0.00 N ATOM 112 CA VAL A 80 13.655 -9.947 -0.745 1.00 0.00 C ATOM 113 C VAL A 80 14.706 -11.032 -0.955 1.00 0.00 C ATOM 114 O VAL A 80 15.621 -11.190 -0.146 1.00 0.00 O ATOM 115 CB VAL A 80 12.597 -10.459 0.251 1.00 0.00 C ATOM 116 CG1 VAL A 80 11.718 -11.517 -0.400 1.00 0.00 C ATOM 117 CG2 VAL A 80 13.265 -11.006 1.503 1.00 0.00 C ATOM 0 H VAL A 80 12.027 -9.582 -2.015 1.00 0.00 H new ATOM 0 HA VAL A 80 14.132 -9.058 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 80 11.962 -9.622 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.977 -11.867 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.211 -11.088 -1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.336 -12.356 -0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.503 -11.363 2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.925 -11.830 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.847 -10.217 1.979 1.00 0.00 H new ATOM 127 N HIS A 81 14.568 -11.777 -2.047 1.00 0.00 N ATOM 128 CA HIS A 81 15.507 -12.847 -2.365 1.00 0.00 C ATOM 129 C HIS A 81 16.724 -12.300 -3.105 1.00 0.00 C ATOM 130 O HIS A 81 17.085 -12.791 -4.174 1.00 0.00 O ATOM 131 CB HIS A 81 14.822 -13.921 -3.211 1.00 0.00 C ATOM 132 CG HIS A 81 13.600 -14.501 -2.567 1.00 0.00 C ATOM 133 ND1 HIS A 81 12.390 -13.951 -2.309 1.00 0.00 N flip ATOM 134 CD2 HIS A 81 13.536 -15.798 -2.105 1.00 0.00 C flip ATOM 135 CE1 HIS A 81 11.625 -14.916 -1.703 1.00 0.00 C flip ATOM 136 NE2 HIS A 81 12.339 -16.022 -1.591 1.00 0.00 N flip ATOM 0 H HIS A 81 13.816 -11.660 -2.726 1.00 0.00 H new ATOM 0 HA HIS A 81 15.843 -13.292 -1.428 1.00 0.00 H new ATOM 0 HB2 HIS A 81 14.546 -13.492 -4.174 1.00 0.00 H new ATOM 0 HB3 HIS A 81 15.533 -14.723 -3.411 1.00 0.00 H new ATOM 0 HD2 HIS A 81 14.339 -16.519 -2.155 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.605 -14.791 -1.371 1.00 0.00 H new ATOM 0 HE2 HIS A 81 12.021 -16.899 -1.178 1.00 0.00 H new ATOM 144 N ALA A 82 17.353 -11.281 -2.528 1.00 0.00 N ATOM 145 CA ALA A 82 18.529 -10.668 -3.132 1.00 0.00 C ATOM 146 C ALA A 82 19.752 -10.825 -2.234 1.00 0.00 C ATOM 147 O ALA A 82 19.900 -10.112 -1.242 1.00 0.00 O ATOM 148 CB ALA A 82 18.269 -9.197 -3.421 1.00 0.00 C ATOM 0 H ALA A 82 17.067 -10.863 -1.643 1.00 0.00 H new ATOM 0 HA ALA A 82 18.733 -11.180 -4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 82 19.156 -8.752 -3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.428 -9.104 -4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.037 -8.679 -2.491 1.00 0.00 H new ATOM 154 N ALA A 83 20.624 -11.762 -2.588 1.00 0.00 N ATOM 155 CA ALA A 83 21.834 -12.011 -1.815 1.00 0.00 C ATOM 156 C ALA A 83 22.618 -10.722 -1.591 1.00 0.00 C ATOM 157 O ALA A 83 22.394 -9.723 -2.275 1.00 0.00 O ATOM 158 CB ALA A 83 22.705 -13.045 -2.513 1.00 0.00 C ATOM 0 H ALA A 83 20.515 -12.362 -3.406 1.00 0.00 H new ATOM 0 HA ALA A 83 21.538 -12.400 -0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 83 23.605 -13.220 -1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 83 22.151 -13.978 -2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 83 22.984 -12.678 -3.501 1.00 0.00 H new ATOM 164 N GLU A 84 23.536 -10.751 -0.630 1.00 0.00 N ATOM 165 CA GLU A 84 24.350 -9.583 -0.317 1.00 0.00 C ATOM 166 C GLU A 84 25.011 -9.027 -1.575 1.00 0.00 C ATOM 167 O GLU A 84 25.523 -9.779 -2.405 1.00 0.00 O ATOM 168 CB GLU A 84 25.420 -9.942 0.717 1.00 0.00 C ATOM 169 CG GLU A 84 24.951 -9.790 2.155 1.00 0.00 C ATOM 170 CD GLU A 84 24.356 -11.069 2.712 1.00 0.00 C ATOM 171 OE1 GLU A 84 23.822 -11.870 1.917 1.00 0.00 O ATOM 172 OE2 GLU A 84 24.424 -11.268 3.943 1.00 0.00 O ATOM 0 H GLU A 84 23.734 -11.570 -0.055 1.00 0.00 H new ATOM 0 HA GLU A 84 23.695 -8.817 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 84 25.740 -10.971 0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 84 26.293 -9.309 0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 84 25.792 -9.484 2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 84 24.208 -8.994 2.209 1.00 0.00 H new ATOM 179 N PHE A 85 24.995 -7.705 -1.710 1.00 0.00 N ATOM 180 CA PHE A 85 25.590 -7.047 -2.867 1.00 0.00 C ATOM 181 C PHE A 85 27.060 -7.428 -3.012 1.00 0.00 C ATOM 182 O PHE A 85 27.611 -7.413 -4.113 1.00 0.00 O ATOM 183 CB PHE A 85 25.455 -5.528 -2.742 1.00 0.00 C ATOM 184 CG PHE A 85 26.504 -4.903 -1.868 1.00 0.00 C ATOM 185 CD1 PHE A 85 26.386 -4.939 -0.488 1.00 0.00 C ATOM 186 CD2 PHE A 85 27.607 -4.278 -2.427 1.00 0.00 C ATOM 187 CE1 PHE A 85 27.350 -4.365 0.319 1.00 0.00 C ATOM 188 CE2 PHE A 85 28.575 -3.703 -1.625 1.00 0.00 C ATOM 189 CZ PHE A 85 28.445 -3.745 -0.250 1.00 0.00 C ATOM 0 H PHE A 85 24.576 -7.068 -1.032 1.00 0.00 H new ATOM 0 HA PHE A 85 25.057 -7.380 -3.757 1.00 0.00 H new ATOM 0 HB2 PHE A 85 25.509 -5.083 -3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 85 24.470 -5.291 -2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 85 25.531 -5.421 -0.038 1.00 0.00 H new ATOM 0 HD2 PHE A 85 27.712 -4.240 -3.501 1.00 0.00 H new ATOM 0 HE1 PHE A 85 27.247 -4.401 1.393 1.00 0.00 H new ATOM 0 HE2 PHE A 85 29.432 -3.222 -2.073 1.00 0.00 H new ATOM 0 HZ PHE A 85 29.198 -3.294 0.379 1.00 0.00 H new ATOM 537 N GLN B 556 31.853 -1.663 -13.120 1.00 0.00 N ATOM 538 CA GLN B 556 31.773 -2.759 -12.162 1.00 0.00 C ATOM 539 C GLN B 556 32.133 -2.283 -10.759 1.00 0.00 C ATOM 540 O GLN B 556 31.731 -2.888 -9.766 1.00 0.00 O ATOM 541 CB GLN B 556 32.702 -3.900 -12.580 1.00 0.00 C ATOM 542 CG GLN B 556 32.268 -4.600 -13.858 1.00 0.00 C ATOM 543 CD GLN B 556 33.387 -5.401 -14.493 1.00 0.00 C ATOM 544 OE1 GLN B 556 34.562 -5.203 -14.182 1.00 0.00 O ATOM 545 NE2 GLN B 556 33.028 -6.313 -15.390 1.00 0.00 N ATOM 0 HA GLN B 556 30.746 -3.123 -12.150 1.00 0.00 H new ATOM 0 HB2 GLN B 556 33.709 -3.506 -12.715 1.00 0.00 H new ATOM 0 HB3 GLN B 556 32.751 -4.632 -11.773 1.00 0.00 H new ATOM 0 HG2 GLN B 556 31.431 -5.263 -13.638 1.00 0.00 H new ATOM 0 HG3 GLN B 556 31.908 -3.858 -14.570 1.00 0.00 H new ATOM 0 HE21 GLN B 556 32.042 -6.444 -15.618 1.00 0.00 H new ATOM 0 HE22 GLN B 556 33.738 -6.882 -15.851 1.00 0.00 H new ATOM 554 N GLU B 557 32.893 -1.195 -10.685 1.00 0.00 N ATOM 555 CA GLU B 557 33.308 -0.639 -9.402 1.00 0.00 C ATOM 556 C GLU B 557 32.178 0.165 -8.766 1.00 0.00 C ATOM 557 O GLU B 557 31.971 0.112 -7.555 1.00 0.00 O ATOM 558 CB GLU B 557 34.542 0.248 -9.581 1.00 0.00 C ATOM 559 CG GLU B 557 35.856 -0.498 -9.422 1.00 0.00 C ATOM 560 CD GLU B 557 36.067 -1.014 -8.012 1.00 0.00 C ATOM 561 OE1 GLU B 557 35.767 -0.268 -7.057 1.00 0.00 O ATOM 562 OE2 GLU B 557 36.532 -2.164 -7.864 1.00 0.00 O ATOM 0 H GLU B 557 33.234 -0.681 -11.498 1.00 0.00 H new ATOM 0 HA GLU B 557 33.558 -1.468 -8.740 1.00 0.00 H new ATOM 0 HB2 GLU B 557 34.510 0.704 -10.570 1.00 0.00 H new ATOM 0 HB3 GLU B 557 34.504 1.059 -8.854 1.00 0.00 H new ATOM 0 HG2 GLU B 557 35.880 -1.336 -10.119 1.00 0.00 H new ATOM 0 HG3 GLU B 557 36.680 0.164 -9.690 1.00 0.00 H new ATOM 569 N GLN B 558 31.450 0.909 -9.594 1.00 0.00 N ATOM 570 CA GLN B 558 30.342 1.725 -9.113 1.00 0.00 C ATOM 571 C GLN B 558 29.370 0.889 -8.286 1.00 0.00 C ATOM 572 O GLN B 558 28.732 1.393 -7.361 1.00 0.00 O ATOM 573 CB GLN B 558 29.607 2.369 -10.289 1.00 0.00 C ATOM 574 CG GLN B 558 30.345 3.553 -10.893 1.00 0.00 C ATOM 575 CD GLN B 558 30.541 3.416 -12.390 1.00 0.00 C ATOM 576 OE1 GLN B 558 31.619 3.696 -12.916 1.00 0.00 O ATOM 577 NE2 GLN B 558 29.496 2.983 -13.087 1.00 0.00 N ATOM 0 H GLN B 558 31.608 0.963 -10.600 1.00 0.00 H new ATOM 0 HA GLN B 558 30.751 2.510 -8.476 1.00 0.00 H new ATOM 0 HB2 GLN B 558 29.448 1.618 -11.063 1.00 0.00 H new ATOM 0 HB3 GLN B 558 28.622 2.697 -9.956 1.00 0.00 H new ATOM 0 HG2 GLN B 558 29.789 4.467 -10.685 1.00 0.00 H new ATOM 0 HG3 GLN B 558 31.317 3.655 -10.411 1.00 0.00 H new ATOM 0 HE21 GLN B 558 28.621 2.762 -12.611 1.00 0.00 H new ATOM 0 HE22 GLN B 558 29.568 2.871 -14.098 1.00 0.00 H new ATOM 586 N LYS B 559 29.261 -0.391 -8.625 1.00 0.00 N ATOM 587 CA LYS B 559 28.367 -1.297 -7.915 1.00 0.00 C ATOM 588 C LYS B 559 28.866 -1.553 -6.497 1.00 0.00 C ATOM 589 O LYS B 559 28.282 -1.070 -5.527 1.00 0.00 O ATOM 590 CB LYS B 559 28.246 -2.623 -8.671 1.00 0.00 C ATOM 591 CG LYS B 559 27.378 -3.649 -7.963 1.00 0.00 C ATOM 592 CD LYS B 559 27.266 -4.934 -8.767 1.00 0.00 C ATOM 593 CE LYS B 559 26.337 -5.933 -8.095 1.00 0.00 C ATOM 594 NZ LYS B 559 26.754 -6.223 -6.695 1.00 0.00 N ATOM 0 H LYS B 559 29.781 -0.824 -9.388 1.00 0.00 H new ATOM 0 HA LYS B 559 27.385 -0.827 -7.857 1.00 0.00 H new ATOM 0 HB2 LYS B 559 27.833 -2.431 -9.661 1.00 0.00 H new ATOM 0 HB3 LYS B 559 29.242 -3.041 -8.817 1.00 0.00 H new ATOM 0 HG2 LYS B 559 27.799 -3.868 -6.982 1.00 0.00 H new ATOM 0 HG3 LYS B 559 26.384 -3.234 -7.798 1.00 0.00 H new ATOM 0 HD2 LYS B 559 26.896 -4.708 -9.767 1.00 0.00 H new ATOM 0 HD3 LYS B 559 28.255 -5.378 -8.885 1.00 0.00 H new ATOM 0 HE2 LYS B 559 25.320 -5.541 -8.097 1.00 0.00 H new ATOM 0 HE3 LYS B 559 26.323 -6.859 -8.669 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 26.229 -7.048 -6.340 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 27.774 -6.425 -6.671 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 26.551 -5.399 -6.094 1.00 0.00 H new ATOM 608 N GLN B 560 29.950 -2.314 -6.383 1.00 0.00 N ATOM 609 CA GLN B 560 30.527 -2.632 -5.083 1.00 0.00 C ATOM 610 C GLN B 560 30.794 -1.362 -4.280 1.00 0.00 C ATOM 611 O GLN B 560 30.681 -1.356 -3.055 1.00 0.00 O ATOM 612 CB GLN B 560 31.826 -3.421 -5.257 1.00 0.00 C ATOM 613 CG GLN B 560 32.952 -2.611 -5.880 1.00 0.00 C ATOM 614 CD GLN B 560 33.926 -2.076 -4.848 1.00 0.00 C ATOM 615 OE1 GLN B 560 33.623 -1.127 -4.125 1.00 0.00 O ATOM 616 NE2 GLN B 560 35.104 -2.685 -4.775 1.00 0.00 N ATOM 0 H GLN B 560 30.446 -2.722 -7.176 1.00 0.00 H new ATOM 0 HA GLN B 560 29.809 -3.243 -4.535 1.00 0.00 H new ATOM 0 HB2 GLN B 560 32.150 -3.790 -4.284 1.00 0.00 H new ATOM 0 HB3 GLN B 560 31.630 -4.294 -5.880 1.00 0.00 H new ATOM 0 HG2 GLN B 560 33.491 -3.234 -6.594 1.00 0.00 H new ATOM 0 HG3 GLN B 560 32.528 -1.778 -6.440 1.00 0.00 H new ATOM 0 HE21 GLN B 560 35.312 -3.468 -5.394 1.00 0.00 H new ATOM 0 HE22 GLN B 560 35.800 -2.370 -4.100 1.00 0.00 H new ATOM 625 N MET B 561 31.147 -0.289 -4.980 1.00 0.00 N ATOM 626 CA MET B 561 31.429 0.987 -4.332 1.00 0.00 C ATOM 627 C MET B 561 30.179 1.540 -3.656 1.00 0.00 C ATOM 628 O MET B 561 30.156 1.744 -2.441 1.00 0.00 O ATOM 629 CB MET B 561 31.960 1.995 -5.352 1.00 0.00 C ATOM 630 CG MET B 561 33.424 1.788 -5.706 1.00 0.00 C ATOM 631 SD MET B 561 34.469 3.155 -5.167 1.00 0.00 S ATOM 632 CE MET B 561 34.856 3.924 -6.737 1.00 0.00 C ATOM 0 H MET B 561 31.245 -0.277 -5.995 1.00 0.00 H new ATOM 0 HA MET B 561 32.189 0.819 -3.569 1.00 0.00 H new ATOM 0 HB2 MET B 561 31.362 1.929 -6.261 1.00 0.00 H new ATOM 0 HB3 MET B 561 31.829 3.002 -4.957 1.00 0.00 H new ATOM 0 HG2 MET B 561 33.777 0.864 -5.249 1.00 0.00 H new ATOM 0 HG3 MET B 561 33.519 1.667 -6.785 1.00 0.00 H new ATOM 0 HE1 MET B 561 35.498 4.789 -6.570 1.00 0.00 H new ATOM 0 HE2 MET B 561 35.371 3.207 -7.376 1.00 0.00 H new ATOM 0 HE3 MET B 561 33.934 4.245 -7.222 1.00 0.00 H new ATOM 642 N LEU B 562 29.141 1.783 -4.449 1.00 0.00 N ATOM 643 CA LEU B 562 27.886 2.313 -3.927 1.00 0.00 C ATOM 644 C LEU B 562 27.382 1.470 -2.760 1.00 0.00 C ATOM 645 O LEU B 562 27.019 1.998 -1.710 1.00 0.00 O ATOM 646 CB LEU B 562 26.830 2.360 -5.032 1.00 0.00 C ATOM 647 CG LEU B 562 26.953 3.512 -6.030 1.00 0.00 C ATOM 648 CD1 LEU B 562 25.862 3.423 -7.086 1.00 0.00 C ATOM 649 CD2 LEU B 562 26.893 4.851 -5.309 1.00 0.00 C ATOM 0 H LEU B 562 29.144 1.621 -5.456 1.00 0.00 H new ATOM 0 HA LEU B 562 28.070 3.325 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU B 562 26.869 1.421 -5.585 1.00 0.00 H new ATOM 0 HB3 LEU B 562 25.847 2.414 -4.565 1.00 0.00 H new ATOM 0 HG LEU B 562 27.919 3.434 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU B 562 25.966 4.251 -7.787 1.00 0.00 H new ATOM 0 HD12 LEU B 562 25.952 2.479 -7.623 1.00 0.00 H new ATOM 0 HD13 LEU B 562 24.885 3.475 -6.605 1.00 0.00 H new ATOM 0 HD21 LEU B 562 26.982 5.659 -6.035 1.00 0.00 H new ATOM 0 HD22 LEU B 562 25.942 4.939 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU B 562 27.712 4.915 -4.592 1.00 0.00 H new ATOM 661 N GLY B 563 27.363 0.154 -2.953 1.00 0.00 N ATOM 662 CA GLY B 563 26.903 -0.742 -1.908 1.00 0.00 C ATOM 663 C GLY B 563 27.814 -0.735 -0.696 1.00 0.00 C ATOM 664 O GLY B 563 27.350 -0.860 0.437 1.00 0.00 O ATOM 0 H GLY B 563 27.658 -0.307 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY B 563 25.897 -0.454 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY B 563 26.839 -1.755 -2.305 1.00 0.00 H new ATOM 668 N GLU B 564 29.113 -0.591 -0.935 1.00 0.00 N ATOM 669 CA GLU B 564 30.091 -0.571 0.147 1.00 0.00 C ATOM 670 C GLU B 564 29.844 0.609 1.082 1.00 0.00 C ATOM 671 O GLU B 564 29.858 0.460 2.304 1.00 0.00 O ATOM 672 CB GLU B 564 31.510 -0.499 -0.420 1.00 0.00 C ATOM 673 CG GLU B 564 32.162 -1.859 -0.605 1.00 0.00 C ATOM 674 CD GLU B 564 33.436 -2.010 0.204 1.00 0.00 C ATOM 675 OE1 GLU B 564 34.207 -1.030 0.284 1.00 0.00 O ATOM 676 OE2 GLU B 564 33.663 -3.107 0.755 1.00 0.00 O ATOM 0 H GLU B 564 29.513 -0.486 -1.867 1.00 0.00 H new ATOM 0 HA GLU B 564 29.982 -1.493 0.718 1.00 0.00 H new ATOM 0 HB2 GLU B 564 31.482 0.015 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU B 564 32.128 0.103 0.246 1.00 0.00 H new ATOM 0 HG2 GLU B 564 31.457 -2.638 -0.315 1.00 0.00 H new ATOM 0 HG3 GLU B 564 32.387 -2.010 -1.661 1.00 0.00 H new ATOM 683 N ARG B 565 29.618 1.781 0.499 1.00 0.00 N ATOM 684 CA ARG B 565 29.369 2.988 1.279 1.00 0.00 C ATOM 685 C ARG B 565 27.954 2.984 1.850 1.00 0.00 C ATOM 686 O ARG B 565 27.704 3.536 2.922 1.00 0.00 O ATOM 687 CB ARG B 565 29.579 4.232 0.414 1.00 0.00 C ATOM 688 CG ARG B 565 30.939 4.282 -0.263 1.00 0.00 C ATOM 689 CD ARG B 565 31.859 5.288 0.410 1.00 0.00 C ATOM 690 NE ARG B 565 32.388 4.786 1.675 1.00 0.00 N ATOM 691 CZ ARG B 565 33.291 3.816 1.761 1.00 0.00 C ATOM 692 NH1 ARG B 565 33.764 3.246 0.661 1.00 0.00 N ATOM 693 NH2 ARG B 565 33.723 3.413 2.950 1.00 0.00 N ATOM 0 H ARG B 565 29.602 1.921 -0.511 1.00 0.00 H new ATOM 0 HA ARG B 565 30.076 3.007 2.108 1.00 0.00 H new ATOM 0 HB2 ARG B 565 28.801 4.269 -0.349 1.00 0.00 H new ATOM 0 HB3 ARG B 565 29.459 5.120 1.035 1.00 0.00 H new ATOM 0 HG2 ARG B 565 31.397 3.293 -0.236 1.00 0.00 H new ATOM 0 HG3 ARG B 565 30.815 4.547 -1.313 1.00 0.00 H new ATOM 0 HD2 ARG B 565 32.686 5.527 -0.259 1.00 0.00 H new ATOM 0 HD3 ARG B 565 31.314 6.215 0.588 1.00 0.00 H new ATOM 0 HE ARG B 565 32.045 5.203 2.540 1.00 0.00 H new ATOM 0 HH11 ARG B 565 33.434 3.552 -0.254 1.00 0.00 H new ATOM 0 HH12 ARG B 565 34.458 2.501 0.730 1.00 0.00 H new ATOM 0 HH21 ARG B 565 33.361 3.848 3.798 1.00 0.00 H new ATOM 0 HH22 ARG B 565 34.417 2.668 3.015 1.00 0.00 H new ATOM 707 N LEU B 566 27.032 2.359 1.126 1.00 0.00 N ATOM 708 CA LEU B 566 25.641 2.284 1.560 1.00 0.00 C ATOM 709 C LEU B 566 25.475 1.263 2.681 1.00 0.00 C ATOM 710 O LEU B 566 24.542 1.350 3.481 1.00 0.00 O ATOM 711 CB LEU B 566 24.738 1.915 0.381 1.00 0.00 C ATOM 712 CG LEU B 566 24.512 3.011 -0.660 1.00 0.00 C ATOM 713 CD1 LEU B 566 24.160 2.402 -2.008 1.00 0.00 C ATOM 714 CD2 LEU B 566 23.418 3.965 -0.202 1.00 0.00 C ATOM 0 H LEU B 566 27.222 1.897 0.237 1.00 0.00 H new ATOM 0 HA LEU B 566 25.351 3.264 1.940 1.00 0.00 H new ATOM 0 HB2 LEU B 566 25.166 1.048 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU B 566 23.768 1.609 0.774 1.00 0.00 H new ATOM 0 HG LEU B 566 25.437 3.577 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU B 566 24.003 3.197 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU B 566 24.976 1.760 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU B 566 23.249 1.811 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU B 566 23.271 4.739 -0.956 1.00 0.00 H new ATOM 0 HD22 LEU B 566 22.489 3.413 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU B 566 23.710 4.428 0.741 1.00 0.00 H new ATOM 726 N PHE B 567 26.386 0.298 2.736 1.00 0.00 N ATOM 727 CA PHE B 567 26.341 -0.739 3.761 1.00 0.00 C ATOM 728 C PHE B 567 26.231 -0.123 5.152 1.00 0.00 C ATOM 729 O PHE B 567 25.294 -0.391 5.905 1.00 0.00 O ATOM 730 CB PHE B 567 27.589 -1.621 3.678 1.00 0.00 C ATOM 731 CG PHE B 567 27.958 -2.261 4.986 1.00 0.00 C ATOM 732 CD1 PHE B 567 27.037 -3.028 5.681 1.00 0.00 C ATOM 733 CD2 PHE B 567 29.226 -2.096 5.520 1.00 0.00 C ATOM 734 CE1 PHE B 567 27.374 -3.617 6.885 1.00 0.00 C ATOM 735 CE2 PHE B 567 29.569 -2.683 6.723 1.00 0.00 C ATOM 736 CZ PHE B 567 28.642 -3.445 7.406 1.00 0.00 C ATOM 0 H PHE B 567 27.165 0.212 2.083 1.00 0.00 H new ATOM 0 HA PHE B 567 25.458 -1.353 3.584 1.00 0.00 H new ATOM 0 HB2 PHE B 567 27.424 -2.401 2.935 1.00 0.00 H new ATOM 0 HB3 PHE B 567 28.427 -1.019 3.328 1.00 0.00 H new ATOM 0 HD1 PHE B 567 26.045 -3.167 5.278 1.00 0.00 H new ATOM 0 HD2 PHE B 567 29.955 -1.501 4.990 1.00 0.00 H new ATOM 0 HE1 PHE B 567 26.647 -4.211 7.418 1.00 0.00 H new ATOM 0 HE2 PHE B 567 30.561 -2.546 7.128 1.00 0.00 H new ATOM 0 HZ PHE B 567 28.908 -3.906 8.346 1.00 0.00 H new ATOM 746 N PRO B 568 27.211 0.722 5.505 1.00 0.00 N ATOM 747 CA PRO B 568 27.248 1.393 6.807 1.00 0.00 C ATOM 748 C PRO B 568 26.155 2.448 6.946 1.00 0.00 C ATOM 749 O PRO B 568 25.614 2.656 8.033 1.00 0.00 O ATOM 750 CB PRO B 568 28.630 2.050 6.829 1.00 0.00 C ATOM 751 CG PRO B 568 28.982 2.241 5.394 1.00 0.00 C ATOM 752 CD PRO B 568 28.359 1.087 4.658 1.00 0.00 C ATOM 0 HA PRO B 568 27.079 0.697 7.629 1.00 0.00 H new ATOM 0 HB2 PRO B 568 28.608 3.001 7.361 1.00 0.00 H new ATOM 0 HB3 PRO B 568 29.360 1.419 7.335 1.00 0.00 H new ATOM 0 HG2 PRO B 568 28.601 3.192 5.022 1.00 0.00 H new ATOM 0 HG3 PRO B 568 30.063 2.254 5.256 1.00 0.00 H new ATOM 0 HD2 PRO B 568 28.043 1.374 3.655 1.00 0.00 H new ATOM 0 HD3 PRO B 568 29.057 0.257 4.548 1.00 0.00 H new ATOM 760 N LEU B 569 25.835 3.110 5.841 1.00 0.00 N ATOM 761 CA LEU B 569 24.805 4.144 5.839 1.00 0.00 C ATOM 762 C LEU B 569 23.490 3.603 6.390 1.00 0.00 C ATOM 763 O LEU B 569 22.945 4.134 7.358 1.00 0.00 O ATOM 764 CB LEU B 569 24.596 4.681 4.422 1.00 0.00 C ATOM 765 CG LEU B 569 25.646 5.672 3.918 1.00 0.00 C ATOM 766 CD1 LEU B 569 25.430 5.974 2.443 1.00 0.00 C ATOM 767 CD2 LEU B 569 25.606 6.953 4.738 1.00 0.00 C ATOM 0 H LEU B 569 26.273 2.950 4.934 1.00 0.00 H new ATOM 0 HA LEU B 569 25.140 4.957 6.483 1.00 0.00 H new ATOM 0 HB2 LEU B 569 24.565 3.835 3.735 1.00 0.00 H new ATOM 0 HB3 LEU B 569 23.620 5.163 4.378 1.00 0.00 H new ATOM 0 HG LEU B 569 26.631 5.220 4.035 1.00 0.00 H new ATOM 0 HD11 LEU B 569 26.186 6.681 2.102 1.00 0.00 H new ATOM 0 HD12 LEU B 569 25.509 5.052 1.867 1.00 0.00 H new ATOM 0 HD13 LEU B 569 24.439 6.406 2.301 1.00 0.00 H new ATOM 0 HD21 LEU B 569 26.360 7.647 4.366 1.00 0.00 H new ATOM 0 HD22 LEU B 569 24.620 7.409 4.653 1.00 0.00 H new ATOM 0 HD23 LEU B 569 25.810 6.722 5.784 1.00 0.00 H new ATOM 779 N ILE B 570 22.985 2.542 5.768 1.00 0.00 N ATOM 780 CA ILE B 570 21.736 1.928 6.198 1.00 0.00 C ATOM 781 C ILE B 570 21.936 1.105 7.466 1.00 0.00 C ATOM 782 O ILE B 570 20.985 0.840 8.201 1.00 0.00 O ATOM 783 CB ILE B 570 21.146 1.023 5.100 1.00 0.00 C ATOM 784 CG1 ILE B 570 20.915 1.825 3.817 1.00 0.00 C ATOM 785 CG2 ILE B 570 19.848 0.389 5.576 1.00 0.00 C ATOM 786 CD1 ILE B 570 21.243 1.056 2.557 1.00 0.00 C ATOM 0 H ILE B 570 23.422 2.091 4.965 1.00 0.00 H new ATOM 0 HA ILE B 570 21.039 2.741 6.401 1.00 0.00 H new ATOM 0 HB ILE B 570 21.858 0.227 4.885 1.00 0.00 H new ATOM 0 HG12 ILE B 570 19.873 2.142 3.779 1.00 0.00 H new ATOM 0 HG13 ILE B 570 21.522 2.730 3.849 1.00 0.00 H new ATOM 0 HG21 ILE B 570 19.444 -0.247 4.789 1.00 0.00 H new ATOM 0 HG22 ILE B 570 20.041 -0.212 6.465 1.00 0.00 H new ATOM 0 HG23 ILE B 570 19.128 1.171 5.816 1.00 0.00 H new ATOM 0 HD11 ILE B 570 21.056 1.686 1.687 1.00 0.00 H new ATOM 0 HD12 ILE B 570 22.292 0.762 2.573 1.00 0.00 H new ATOM 0 HD13 ILE B 570 20.618 0.165 2.501 1.00 0.00 H new ATOM 798 N GLN B 571 23.179 0.706 7.716 1.00 0.00 N ATOM 799 CA GLN B 571 23.503 -0.086 8.896 1.00 0.00 C ATOM 800 C GLN B 571 23.101 0.647 10.172 1.00 0.00 C ATOM 801 O GLN B 571 22.892 0.029 11.215 1.00 0.00 O ATOM 802 CB GLN B 571 24.999 -0.404 8.928 1.00 0.00 C ATOM 803 CG GLN B 571 25.446 -1.107 10.200 1.00 0.00 C ATOM 804 CD GLN B 571 26.952 -1.258 10.285 1.00 0.00 C ATOM 805 OE1 GLN B 571 27.692 -0.280 10.183 1.00 0.00 O ATOM 806 NE2 GLN B 571 27.413 -2.489 10.473 1.00 0.00 N ATOM 0 H GLN B 571 23.977 0.918 7.118 1.00 0.00 H new ATOM 0 HA GLN B 571 22.941 -1.018 8.841 1.00 0.00 H new ATOM 0 HB2 GLN B 571 25.247 -1.030 8.071 1.00 0.00 H new ATOM 0 HB3 GLN B 571 25.561 0.523 8.819 1.00 0.00 H new ATOM 0 HG2 GLN B 571 25.092 -0.546 11.065 1.00 0.00 H new ATOM 0 HG3 GLN B 571 24.983 -2.092 10.248 1.00 0.00 H new ATOM 0 HE21 GLN B 571 26.762 -3.271 10.552 1.00 0.00 H new ATOM 0 HE22 GLN B 571 28.418 -2.653 10.538 1.00 0.00 H new ATOM 815 N ALA B 572 22.994 1.969 10.079 1.00 0.00 N ATOM 816 CA ALA B 572 22.615 2.786 11.225 1.00 0.00 C ATOM 817 C ALA B 572 21.111 2.720 11.473 1.00 0.00 C ATOM 818 O ALA B 572 20.610 3.272 12.452 1.00 0.00 O ATOM 819 CB ALA B 572 23.054 4.227 11.014 1.00 0.00 C ATOM 0 H ALA B 572 23.164 2.496 9.223 1.00 0.00 H new ATOM 0 HA ALA B 572 23.120 2.389 12.106 1.00 0.00 H new ATOM 0 HB1 ALA B 572 22.764 4.826 11.878 1.00 0.00 H new ATOM 0 HB2 ALA B 572 24.137 4.264 10.894 1.00 0.00 H new ATOM 0 HB3 ALA B 572 22.576 4.626 10.119 1.00 0.00 H new ATOM 825 N MET B 573 20.398 2.041 10.580 1.00 0.00 N ATOM 826 CA MET B 573 18.952 1.903 10.704 1.00 0.00 C ATOM 827 C MET B 573 18.544 0.433 10.706 1.00 0.00 C ATOM 828 O MET B 573 17.914 -0.045 11.650 1.00 0.00 O ATOM 829 CB MET B 573 18.249 2.638 9.561 1.00 0.00 C ATOM 830 CG MET B 573 18.828 4.014 9.275 1.00 0.00 C ATOM 831 SD MET B 573 17.759 5.012 8.221 1.00 0.00 S ATOM 832 CE MET B 573 18.284 4.471 6.596 1.00 0.00 C ATOM 0 H MET B 573 20.798 1.578 9.764 1.00 0.00 H new ATOM 0 HA MET B 573 18.649 2.347 11.653 1.00 0.00 H new ATOM 0 HB2 MET B 573 18.312 2.032 8.657 1.00 0.00 H new ATOM 0 HB3 MET B 573 17.191 2.741 9.803 1.00 0.00 H new ATOM 0 HG2 MET B 573 18.994 4.537 10.217 1.00 0.00 H new ATOM 0 HG3 MET B 573 19.801 3.902 8.797 1.00 0.00 H new ATOM 0 HE1 MET B 573 17.712 5.000 5.834 1.00 0.00 H new ATOM 0 HE2 MET B 573 19.345 4.684 6.467 1.00 0.00 H new ATOM 0 HE3 MET B 573 18.115 3.399 6.497 1.00 0.00 H new ATOM 842 N HIS B 574 18.908 -0.279 9.645 1.00 0.00 N ATOM 843 CA HIS B 574 18.580 -1.695 9.525 1.00 0.00 C ATOM 844 C HIS B 574 19.835 -2.523 9.266 1.00 0.00 C ATOM 845 O HIS B 574 20.042 -3.056 8.175 1.00 0.00 O ATOM 846 CB HIS B 574 17.569 -1.913 8.399 1.00 0.00 C ATOM 847 CG HIS B 574 16.276 -1.185 8.606 1.00 0.00 C ATOM 848 ND1 HIS B 574 15.101 -1.820 8.946 1.00 0.00 N ATOM 849 CD2 HIS B 574 15.979 0.133 8.520 1.00 0.00 C ATOM 850 CE1 HIS B 574 14.136 -0.925 9.059 1.00 0.00 C ATOM 851 NE2 HIS B 574 14.643 0.268 8.806 1.00 0.00 N ATOM 0 H HIS B 574 19.430 0.101 8.856 1.00 0.00 H new ATOM 0 HA HIS B 574 18.139 -2.021 10.467 1.00 0.00 H new ATOM 0 HB2 HIS B 574 18.012 -1.590 7.457 1.00 0.00 H new ATOM 0 HB3 HIS B 574 17.365 -2.980 8.306 1.00 0.00 H new ATOM 0 HD2 HIS B 574 16.665 0.930 8.273 1.00 0.00 H new ATOM 0 HE1 HIS B 574 13.108 -1.133 9.315 1.00 0.00 H new ATOM 0 HE2 HIS B 574 14.126 1.147 8.821 1.00 0.00 H new ATOM 859 N PRO B 575 20.693 -2.635 10.290 1.00 0.00 N ATOM 860 CA PRO B 575 21.942 -3.397 10.197 1.00 0.00 C ATOM 861 C PRO B 575 21.700 -4.900 10.108 1.00 0.00 C ATOM 862 O PRO B 575 22.625 -5.676 9.867 1.00 0.00 O ATOM 863 CB PRO B 575 22.669 -3.048 11.498 1.00 0.00 C ATOM 864 CG PRO B 575 21.584 -2.674 12.449 1.00 0.00 C ATOM 865 CD PRO B 575 20.511 -2.027 11.619 1.00 0.00 C ATOM 0 HA PRO B 575 22.505 -3.147 9.298 1.00 0.00 H new ATOM 0 HB2 PRO B 575 23.246 -3.895 11.869 1.00 0.00 H new ATOM 0 HB3 PRO B 575 23.369 -2.225 11.352 1.00 0.00 H new ATOM 0 HG2 PRO B 575 21.200 -3.552 12.968 1.00 0.00 H new ATOM 0 HG3 PRO B 575 21.953 -1.989 13.212 1.00 0.00 H new ATOM 0 HD2 PRO B 575 19.517 -2.228 12.020 1.00 0.00 H new ATOM 0 HD3 PRO B 575 20.628 -0.944 11.585 1.00 0.00 H new ATOM 873 N THR B 576 20.449 -5.305 10.305 1.00 0.00 N ATOM 874 CA THR B 576 20.085 -6.715 10.248 1.00 0.00 C ATOM 875 C THR B 576 20.232 -7.265 8.834 1.00 0.00 C ATOM 876 O THR B 576 20.740 -8.369 8.636 1.00 0.00 O ATOM 877 CB THR B 576 18.638 -6.941 10.726 1.00 0.00 C ATOM 878 OG1 THR B 576 18.433 -6.299 11.989 1.00 0.00 O ATOM 879 CG2 THR B 576 18.336 -8.427 10.853 1.00 0.00 C ATOM 0 H THR B 576 19.671 -4.676 10.505 1.00 0.00 H new ATOM 0 HA THR B 576 20.767 -7.244 10.913 1.00 0.00 H new ATOM 0 HB THR B 576 17.963 -6.510 9.986 1.00 0.00 H new ATOM 0 HG1 THR B 576 17.510 -6.446 12.285 1.00 0.00 H new ATOM 0 HG21 THR B 576 17.309 -8.562 11.192 1.00 0.00 H new ATOM 0 HG22 THR B 576 18.465 -8.909 9.884 1.00 0.00 H new ATOM 0 HG23 THR B 576 19.018 -8.877 11.575 1.00 0.00 H new ATOM 887 N LEU B 577 19.787 -6.487 7.853 1.00 0.00 N ATOM 888 CA LEU B 577 19.870 -6.896 6.455 1.00 0.00 C ATOM 889 C LEU B 577 20.282 -5.725 5.569 1.00 0.00 C ATOM 890 O LEU B 577 19.867 -5.632 4.414 1.00 0.00 O ATOM 891 CB LEU B 577 18.527 -7.458 5.987 1.00 0.00 C ATOM 892 CG LEU B 577 17.732 -8.252 7.024 1.00 0.00 C ATOM 893 CD1 LEU B 577 16.819 -7.329 7.817 1.00 0.00 C ATOM 894 CD2 LEU B 577 16.927 -9.353 6.351 1.00 0.00 C ATOM 0 H LEU B 577 19.365 -5.570 8.000 1.00 0.00 H new ATOM 0 HA LEU B 577 20.630 -7.673 6.374 1.00 0.00 H new ATOM 0 HB2 LEU B 577 17.909 -6.629 5.643 1.00 0.00 H new ATOM 0 HB3 LEU B 577 18.706 -8.101 5.126 1.00 0.00 H new ATOM 0 HG LEU B 577 18.435 -8.716 7.716 1.00 0.00 H new ATOM 0 HD11 LEU B 577 16.261 -7.911 8.550 1.00 0.00 H new ATOM 0 HD12 LEU B 577 17.419 -6.577 8.331 1.00 0.00 H new ATOM 0 HD13 LEU B 577 16.122 -6.836 7.139 1.00 0.00 H new ATOM 0 HD21 LEU B 577 16.368 -9.907 7.105 1.00 0.00 H new ATOM 0 HD22 LEU B 577 16.233 -8.911 5.636 1.00 0.00 H new ATOM 0 HD23 LEU B 577 17.603 -10.031 5.829 1.00 0.00 H new ATOM 906 N ALA B 578 21.102 -4.835 6.117 1.00 0.00 N ATOM 907 CA ALA B 578 21.573 -3.672 5.375 1.00 0.00 C ATOM 908 C ALA B 578 22.120 -4.076 4.010 1.00 0.00 C ATOM 909 O ALA B 578 21.688 -3.561 2.980 1.00 0.00 O ATOM 910 CB ALA B 578 22.636 -2.931 6.173 1.00 0.00 C ATOM 0 H ALA B 578 21.454 -4.897 7.072 1.00 0.00 H new ATOM 0 HA ALA B 578 20.725 -3.007 5.215 1.00 0.00 H new ATOM 0 HB1 ALA B 578 22.978 -2.065 5.607 1.00 0.00 H new ATOM 0 HB2 ALA B 578 22.214 -2.600 7.122 1.00 0.00 H new ATOM 0 HB3 ALA B 578 23.478 -3.596 6.363 1.00 0.00 H new ATOM 916 N GLY B 579 23.074 -5.002 4.011 1.00 0.00 N ATOM 917 CA GLY B 579 23.665 -5.459 2.767 1.00 0.00 C ATOM 918 C GLY B 579 22.627 -5.958 1.780 1.00 0.00 C ATOM 919 O GLY B 579 22.712 -5.679 0.584 1.00 0.00 O ATOM 0 H GLY B 579 23.448 -5.444 4.851 1.00 0.00 H new ATOM 0 HA2 GLY B 579 24.229 -4.643 2.315 1.00 0.00 H new ATOM 0 HA3 GLY B 579 24.375 -6.259 2.978 1.00 0.00 H new ATOM 923 N LYS B 580 21.645 -6.698 2.282 1.00 0.00 N ATOM 924 CA LYS B 580 20.586 -7.238 1.437 1.00 0.00 C ATOM 925 C LYS B 580 19.819 -6.117 0.744 1.00 0.00 C ATOM 926 O LYS B 580 19.804 -6.030 -0.485 1.00 0.00 O ATOM 927 CB LYS B 580 19.624 -8.088 2.271 1.00 0.00 C ATOM 928 CG LYS B 580 18.897 -9.150 1.465 1.00 0.00 C ATOM 929 CD LYS B 580 19.561 -10.510 1.608 1.00 0.00 C ATOM 930 CE LYS B 580 19.348 -11.091 2.998 1.00 0.00 C ATOM 931 NZ LYS B 580 20.535 -11.860 3.465 1.00 0.00 N ATOM 0 H LYS B 580 21.560 -6.938 3.270 1.00 0.00 H new ATOM 0 HA LYS B 580 21.048 -7.865 0.674 1.00 0.00 H new ATOM 0 HB2 LYS B 580 20.181 -8.571 3.074 1.00 0.00 H new ATOM 0 HB3 LYS B 580 18.889 -7.434 2.742 1.00 0.00 H new ATOM 0 HG2 LYS B 580 17.860 -9.213 1.796 1.00 0.00 H new ATOM 0 HG3 LYS B 580 18.879 -8.862 0.414 1.00 0.00 H new ATOM 0 HD2 LYS B 580 19.157 -11.194 0.861 1.00 0.00 H new ATOM 0 HD3 LYS B 580 20.629 -10.417 1.411 1.00 0.00 H new ATOM 0 HE2 LYS B 580 19.138 -10.285 3.701 1.00 0.00 H new ATOM 0 HE3 LYS B 580 18.474 -11.742 2.990 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 20.351 -12.240 4.416 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 20.720 -12.645 2.809 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 21.364 -11.233 3.498 1.00 0.00 H new ATOM 945 N ILE B 581 19.185 -5.260 1.538 1.00 0.00 N ATOM 946 CA ILE B 581 18.418 -4.143 0.999 1.00 0.00 C ATOM 947 C ILE B 581 19.304 -3.217 0.173 1.00 0.00 C ATOM 948 O ILE B 581 18.829 -2.527 -0.730 1.00 0.00 O ATOM 949 CB ILE B 581 17.747 -3.328 2.120 1.00 0.00 C ATOM 950 CG1 ILE B 581 18.792 -2.860 3.135 1.00 0.00 C ATOM 951 CG2 ILE B 581 16.670 -4.156 2.804 1.00 0.00 C ATOM 952 CD1 ILE B 581 18.193 -2.361 4.432 1.00 0.00 C ATOM 0 H ILE B 581 19.187 -5.318 2.556 1.00 0.00 H new ATOM 0 HA ILE B 581 17.645 -4.570 0.359 1.00 0.00 H new ATOM 0 HB ILE B 581 17.277 -2.449 1.679 1.00 0.00 H new ATOM 0 HG12 ILE B 581 19.471 -3.684 3.351 1.00 0.00 H new ATOM 0 HG13 ILE B 581 19.389 -2.064 2.690 1.00 0.00 H new ATOM 0 HG21 ILE B 581 16.205 -3.567 3.594 1.00 0.00 H new ATOM 0 HG22 ILE B 581 15.914 -4.445 2.074 1.00 0.00 H new ATOM 0 HG23 ILE B 581 17.118 -5.051 3.235 1.00 0.00 H new ATOM 0 HD11 ILE B 581 18.991 -2.046 5.104 1.00 0.00 H new ATOM 0 HD12 ILE B 581 17.536 -1.516 4.228 1.00 0.00 H new ATOM 0 HD13 ILE B 581 17.620 -3.162 4.900 1.00 0.00 H new ATOM 964 N THR B 582 20.596 -3.207 0.486 1.00 0.00 N ATOM 965 CA THR B 582 21.549 -2.367 -0.228 1.00 0.00 C ATOM 966 C THR B 582 21.746 -2.852 -1.659 1.00 0.00 C ATOM 967 O THR B 582 21.753 -2.058 -2.599 1.00 0.00 O ATOM 968 CB THR B 582 22.915 -2.337 0.485 1.00 0.00 C ATOM 969 OG1 THR B 582 22.807 -1.622 1.721 1.00 0.00 O ATOM 970 CG2 THR B 582 23.970 -1.683 -0.395 1.00 0.00 C ATOM 0 H THR B 582 21.006 -3.772 1.230 1.00 0.00 H new ATOM 0 HA THR B 582 21.133 -1.360 -0.243 1.00 0.00 H new ATOM 0 HB THR B 582 23.218 -3.365 0.686 1.00 0.00 H new ATOM 0 HG1 THR B 582 22.298 -2.157 2.365 1.00 0.00 H new ATOM 0 HG21 THR B 582 24.926 -1.673 0.129 1.00 0.00 H new ATOM 0 HG22 THR B 582 24.071 -2.247 -1.322 1.00 0.00 H new ATOM 0 HG23 THR B 582 23.671 -0.660 -0.623 1.00 0.00 H new ATOM 978 N GLY B 583 21.906 -4.162 -1.819 1.00 0.00 N ATOM 979 CA GLY B 583 22.101 -4.731 -3.140 1.00 0.00 C ATOM 980 C GLY B 583 20.981 -4.371 -4.096 1.00 0.00 C ATOM 981 O GLY B 583 21.231 -3.987 -5.238 1.00 0.00 O ATOM 0 H GLY B 583 21.904 -4.840 -1.057 1.00 0.00 H new ATOM 0 HA2 GLY B 583 23.049 -4.380 -3.547 1.00 0.00 H new ATOM 0 HA3 GLY B 583 22.171 -5.816 -3.059 1.00 0.00 H new ATOM 985 N MET B 584 19.743 -4.497 -3.630 1.00 0.00 N ATOM 986 CA MET B 584 18.581 -4.183 -4.453 1.00 0.00 C ATOM 987 C MET B 584 18.487 -2.682 -4.709 1.00 0.00 C ATOM 988 O MET B 584 18.317 -2.246 -5.849 1.00 0.00 O ATOM 989 CB MET B 584 17.301 -4.678 -3.776 1.00 0.00 C ATOM 990 CG MET B 584 17.357 -6.140 -3.366 1.00 0.00 C ATOM 991 SD MET B 584 16.960 -6.389 -1.625 1.00 0.00 S ATOM 992 CE MET B 584 15.181 -6.583 -1.708 1.00 0.00 C ATOM 0 H MET B 584 19.519 -4.814 -2.687 1.00 0.00 H new ATOM 0 HA MET B 584 18.696 -4.691 -5.410 1.00 0.00 H new ATOM 0 HB2 MET B 584 17.108 -4.069 -2.893 1.00 0.00 H new ATOM 0 HB3 MET B 584 16.461 -4.531 -4.455 1.00 0.00 H new ATOM 0 HG2 MET B 584 16.660 -6.712 -3.979 1.00 0.00 H new ATOM 0 HG3 MET B 584 18.354 -6.532 -3.567 1.00 0.00 H new ATOM 0 HE1 MET B 584 14.700 -5.755 -1.187 1.00 0.00 H new ATOM 0 HE2 MET B 584 14.864 -6.588 -2.751 1.00 0.00 H new ATOM 0 HE3 MET B 584 14.895 -7.524 -1.237 1.00 0.00 H new ATOM 1002 N LEU B 585 18.597 -1.896 -3.644 1.00 0.00 N ATOM 1003 CA LEU B 585 18.523 -0.443 -3.754 1.00 0.00 C ATOM 1004 C LEU B 585 19.583 0.084 -4.716 1.00 0.00 C ATOM 1005 O LEU B 585 19.265 0.747 -5.705 1.00 0.00 O ATOM 1006 CB LEU B 585 18.701 0.202 -2.379 1.00 0.00 C ATOM 1007 CG LEU B 585 17.417 0.627 -1.666 1.00 0.00 C ATOM 1008 CD1 LEU B 585 16.400 -0.504 -1.678 1.00 0.00 C ATOM 1009 CD2 LEU B 585 17.717 1.062 -0.239 1.00 0.00 C ATOM 0 H LEU B 585 18.738 -2.240 -2.694 1.00 0.00 H new ATOM 0 HA LEU B 585 17.540 -0.182 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU B 585 19.234 -0.499 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU B 585 19.338 1.079 -2.491 1.00 0.00 H new ATOM 0 HG LEU B 585 16.992 1.476 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU B 585 15.493 -0.183 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU B 585 16.161 -0.768 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU B 585 16.816 -1.373 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU B 585 16.791 1.361 0.253 1.00 0.00 H new ATOM 0 HD22 LEU B 585 18.167 0.233 0.307 1.00 0.00 H new ATOM 0 HD23 LEU B 585 18.409 1.904 -0.253 1.00 0.00 H new ATOM 1021 N LEU B 586 20.843 -0.216 -4.422 1.00 0.00 N ATOM 1022 CA LEU B 586 21.951 0.225 -5.263 1.00 0.00 C ATOM 1023 C LEU B 586 21.797 -0.299 -6.687 1.00 0.00 C ATOM 1024 O LEU B 586 22.297 0.303 -7.637 1.00 0.00 O ATOM 1025 CB LEU B 586 23.282 -0.246 -4.675 1.00 0.00 C ATOM 1026 CG LEU B 586 23.726 -1.657 -5.064 1.00 0.00 C ATOM 1027 CD1 LEU B 586 24.539 -1.626 -6.348 1.00 0.00 C ATOM 1028 CD2 LEU B 586 24.527 -2.293 -3.938 1.00 0.00 C ATOM 0 H LEU B 586 21.123 -0.763 -3.608 1.00 0.00 H new ATOM 0 HA LEU B 586 21.940 1.315 -5.294 1.00 0.00 H new ATOM 0 HB2 LEU B 586 24.059 0.455 -4.980 1.00 0.00 H new ATOM 0 HB3 LEU B 586 23.215 -0.195 -3.588 1.00 0.00 H new ATOM 0 HG LEU B 586 22.836 -2.263 -5.237 1.00 0.00 H new ATOM 0 HD11 LEU B 586 24.846 -2.639 -6.609 1.00 0.00 H new ATOM 0 HD12 LEU B 586 23.932 -1.212 -7.153 1.00 0.00 H new ATOM 0 HD13 LEU B 586 25.423 -1.005 -6.204 1.00 0.00 H new ATOM 0 HD21 LEU B 586 24.835 -3.296 -4.232 1.00 0.00 H new ATOM 0 HD22 LEU B 586 25.410 -1.688 -3.733 1.00 0.00 H new ATOM 0 HD23 LEU B 586 23.911 -2.351 -3.041 1.00 0.00 H new ATOM 1040 N GLU B 587 21.100 -1.422 -6.826 1.00 0.00 N ATOM 1041 CA GLU B 587 20.879 -2.026 -8.135 1.00 0.00 C ATOM 1042 C GLU B 587 19.812 -1.262 -8.913 1.00 0.00 C ATOM 1043 O GLU B 587 19.724 -1.371 -10.137 1.00 0.00 O ATOM 1044 CB GLU B 587 20.464 -3.491 -7.983 1.00 0.00 C ATOM 1045 CG GLU B 587 20.055 -4.147 -9.291 1.00 0.00 C ATOM 1046 CD GLU B 587 21.087 -3.957 -10.386 1.00 0.00 C ATOM 1047 OE1 GLU B 587 22.278 -4.236 -10.134 1.00 0.00 O ATOM 1048 OE2 GLU B 587 20.703 -3.529 -11.495 1.00 0.00 O ATOM 0 H GLU B 587 20.679 -1.932 -6.049 1.00 0.00 H new ATOM 0 HA GLU B 587 21.815 -1.977 -8.691 1.00 0.00 H new ATOM 0 HB2 GLU B 587 21.292 -4.051 -7.549 1.00 0.00 H new ATOM 0 HB3 GLU B 587 19.634 -3.553 -7.280 1.00 0.00 H new ATOM 0 HG2 GLU B 587 19.898 -5.213 -9.125 1.00 0.00 H new ATOM 0 HG3 GLU B 587 19.102 -3.732 -9.619 1.00 0.00 H new ATOM 1055 N ILE B 588 19.003 -0.490 -8.195 1.00 0.00 N ATOM 1056 CA ILE B 588 17.942 0.292 -8.818 1.00 0.00 C ATOM 1057 C ILE B 588 18.477 1.112 -9.986 1.00 0.00 C ATOM 1058 O ILE B 588 18.075 0.914 -11.133 1.00 0.00 O ATOM 1059 CB ILE B 588 17.272 1.239 -7.804 1.00 0.00 C ATOM 1060 CG1 ILE B 588 16.569 0.435 -6.709 1.00 0.00 C ATOM 1061 CG2 ILE B 588 16.287 2.158 -8.510 1.00 0.00 C ATOM 1062 CD1 ILE B 588 15.994 1.293 -5.604 1.00 0.00 C ATOM 0 H ILE B 588 19.062 -0.389 -7.182 1.00 0.00 H new ATOM 0 HA ILE B 588 17.201 -0.418 -9.185 1.00 0.00 H new ATOM 0 HB ILE B 588 18.043 1.853 -7.338 1.00 0.00 H new ATOM 0 HG12 ILE B 588 15.767 -0.151 -7.158 1.00 0.00 H new ATOM 0 HG13 ILE B 588 17.277 -0.272 -6.278 1.00 0.00 H new ATOM 0 HG21 ILE B 588 15.821 2.821 -7.781 1.00 0.00 H new ATOM 0 HG22 ILE B 588 16.814 2.752 -9.256 1.00 0.00 H new ATOM 0 HG23 ILE B 588 15.518 1.560 -8.999 1.00 0.00 H new ATOM 0 HD11 ILE B 588 15.511 0.656 -4.863 1.00 0.00 H new ATOM 0 HD12 ILE B 588 16.795 1.859 -5.129 1.00 0.00 H new ATOM 0 HD13 ILE B 588 15.261 1.983 -6.023 1.00 0.00 H new ATOM 1074 N ASP B 589 19.387 2.033 -9.688 1.00 0.00 N ATOM 1075 CA ASP B 589 19.981 2.882 -10.715 1.00 0.00 C ATOM 1076 C ASP B 589 20.908 3.921 -10.091 1.00 0.00 C ATOM 1077 O ASP B 589 20.534 4.613 -9.146 1.00 0.00 O ATOM 1078 CB ASP B 589 18.887 3.577 -11.526 1.00 0.00 C ATOM 1079 CG ASP B 589 18.940 3.216 -12.998 1.00 0.00 C ATOM 1080 OD1 ASP B 589 20.054 2.983 -13.512 1.00 0.00 O ATOM 1081 OD2 ASP B 589 17.867 3.166 -13.634 1.00 0.00 O ATOM 0 H ASP B 589 19.730 2.211 -8.744 1.00 0.00 H new ATOM 0 HA ASP B 589 20.569 2.250 -11.380 1.00 0.00 H new ATOM 0 HB2 ASP B 589 17.912 3.305 -11.123 1.00 0.00 H new ATOM 0 HB3 ASP B 589 18.987 4.657 -11.416 1.00 0.00 H new ATOM 1086 N ASN B 590 22.120 4.023 -10.627 1.00 0.00 N ATOM 1087 CA ASN B 590 23.101 4.976 -10.123 1.00 0.00 C ATOM 1088 C ASN B 590 22.644 6.410 -10.370 1.00 0.00 C ATOM 1089 O ASN B 590 22.979 7.319 -9.610 1.00 0.00 O ATOM 1090 CB ASN B 590 24.460 4.741 -10.786 1.00 0.00 C ATOM 1091 CG ASN B 590 25.006 3.353 -10.509 1.00 0.00 C ATOM 1092 OD1 ASN B 590 24.300 2.355 -10.655 1.00 0.00 O ATOM 1093 ND2 ASN B 590 26.269 3.285 -10.105 1.00 0.00 N ATOM 0 H ASN B 590 22.446 3.457 -11.410 1.00 0.00 H new ATOM 0 HA ASN B 590 23.198 4.824 -9.048 1.00 0.00 H new ATOM 0 HB2 ASN B 590 24.365 4.883 -11.863 1.00 0.00 H new ATOM 0 HB3 ASN B 590 25.170 5.486 -10.427 1.00 0.00 H new ATOM 0 HD21 ASN B 590 26.691 2.379 -9.902 1.00 0.00 H new ATOM 0 HD22 ASN B 590 26.817 4.139 -9.998 1.00 0.00 H new ATOM 1100 N SER B 591 21.876 6.605 -11.437 1.00 0.00 N ATOM 1101 CA SER B 591 21.374 7.929 -11.787 1.00 0.00 C ATOM 1102 C SER B 591 20.519 8.501 -10.660 1.00 0.00 C ATOM 1103 O SER B 591 20.713 9.640 -10.237 1.00 0.00 O ATOM 1104 CB SER B 591 20.558 7.863 -13.079 1.00 0.00 C ATOM 1105 OG SER B 591 19.845 9.069 -13.294 1.00 0.00 O ATOM 0 H SER B 591 21.588 5.863 -12.074 1.00 0.00 H new ATOM 0 HA SER B 591 22.230 8.587 -11.940 1.00 0.00 H new ATOM 0 HB2 SER B 591 21.222 7.674 -13.923 1.00 0.00 H new ATOM 0 HB3 SER B 591 19.859 7.028 -13.029 1.00 0.00 H new ATOM 0 HG SER B 591 19.333 9.002 -14.127 1.00 0.00 H new ATOM 1111 N GLU B 592 19.572 7.701 -10.180 1.00 0.00 N ATOM 1112 CA GLU B 592 18.687 8.128 -9.103 1.00 0.00 C ATOM 1113 C GLU B 592 19.414 8.111 -7.761 1.00 0.00 C ATOM 1114 O GLU B 592 19.297 9.045 -6.967 1.00 0.00 O ATOM 1115 CB GLU B 592 17.453 7.224 -9.038 1.00 0.00 C ATOM 1116 CG GLU B 592 16.816 6.967 -10.393 1.00 0.00 C ATOM 1117 CD GLU B 592 15.329 6.684 -10.294 1.00 0.00 C ATOM 1118 OE1 GLU B 592 14.964 5.519 -10.033 1.00 0.00 O ATOM 1119 OE2 GLU B 592 14.532 7.627 -10.479 1.00 0.00 O ATOM 0 H GLU B 592 19.398 6.755 -10.520 1.00 0.00 H new ATOM 0 HA GLU B 592 18.370 9.150 -9.312 1.00 0.00 H new ATOM 0 HB2 GLU B 592 17.735 6.270 -8.591 1.00 0.00 H new ATOM 0 HB3 GLU B 592 16.714 7.679 -8.379 1.00 0.00 H new ATOM 0 HG2 GLU B 592 16.975 7.833 -11.035 1.00 0.00 H new ATOM 0 HG3 GLU B 592 17.312 6.121 -10.869 1.00 0.00 H new ATOM 1126 N LEU B 593 20.163 7.042 -7.515 1.00 0.00 N ATOM 1127 CA LEU B 593 20.910 6.901 -6.270 1.00 0.00 C ATOM 1128 C LEU B 593 21.757 8.141 -5.999 1.00 0.00 C ATOM 1129 O LEU B 593 21.805 8.640 -4.874 1.00 0.00 O ATOM 1130 CB LEU B 593 21.804 5.661 -6.325 1.00 0.00 C ATOM 1131 CG LEU B 593 21.083 4.313 -6.319 1.00 0.00 C ATOM 1132 CD1 LEU B 593 21.951 3.241 -6.960 1.00 0.00 C ATOM 1133 CD2 LEU B 593 20.703 3.917 -4.900 1.00 0.00 C ATOM 0 H LEU B 593 20.269 6.260 -8.161 1.00 0.00 H new ATOM 0 HA LEU B 593 20.193 6.788 -5.457 1.00 0.00 H new ATOM 0 HB2 LEU B 593 22.416 5.719 -7.225 1.00 0.00 H new ATOM 0 HB3 LEU B 593 22.484 5.690 -5.474 1.00 0.00 H new ATOM 0 HG LEU B 593 20.169 4.409 -6.904 1.00 0.00 H new ATOM 0 HD11 LEU B 593 21.422 2.288 -6.947 1.00 0.00 H new ATOM 0 HD12 LEU B 593 22.171 3.519 -7.991 1.00 0.00 H new ATOM 0 HD13 LEU B 593 22.883 3.146 -6.403 1.00 0.00 H new ATOM 0 HD21 LEU B 593 20.191 2.955 -4.916 1.00 0.00 H new ATOM 0 HD22 LEU B 593 21.603 3.839 -4.291 1.00 0.00 H new ATOM 0 HD23 LEU B 593 20.042 4.673 -4.476 1.00 0.00 H new ATOM 1145 N LEU B 594 22.421 8.635 -7.038 1.00 0.00 N ATOM 1146 CA LEU B 594 23.265 9.819 -6.914 1.00 0.00 C ATOM 1147 C LEU B 594 22.520 10.946 -6.205 1.00 0.00 C ATOM 1148 O LEU B 594 23.120 11.739 -5.477 1.00 0.00 O ATOM 1149 CB LEU B 594 23.727 10.287 -8.295 1.00 0.00 C ATOM 1150 CG LEU B 594 25.136 10.876 -8.367 1.00 0.00 C ATOM 1151 CD1 LEU B 594 26.135 9.816 -8.805 1.00 0.00 C ATOM 1152 CD2 LEU B 594 25.169 12.066 -9.314 1.00 0.00 C ATOM 0 H LEU B 594 22.392 8.234 -7.976 1.00 0.00 H new ATOM 0 HA LEU B 594 24.137 9.553 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU B 594 23.673 9.441 -8.980 1.00 0.00 H new ATOM 0 HB3 LEU B 594 23.023 11.036 -8.657 1.00 0.00 H new ATOM 0 HG LEU B 594 25.416 11.222 -7.372 1.00 0.00 H new ATOM 0 HD11 LEU B 594 27.133 10.253 -8.851 1.00 0.00 H new ATOM 0 HD12 LEU B 594 26.131 8.994 -8.089 1.00 0.00 H new ATOM 0 HD13 LEU B 594 25.858 9.440 -9.790 1.00 0.00 H new ATOM 0 HD21 LEU B 594 26.180 12.472 -9.353 1.00 0.00 H new ATOM 0 HD22 LEU B 594 24.868 11.746 -10.312 1.00 0.00 H new ATOM 0 HD23 LEU B 594 24.483 12.834 -8.957 1.00 0.00 H new ATOM 1164 N HIS B 595 21.210 11.010 -6.420 1.00 0.00 N ATOM 1165 CA HIS B 595 20.383 12.039 -5.799 1.00 0.00 C ATOM 1166 C HIS B 595 19.790 11.539 -4.485 1.00 0.00 C ATOM 1167 O HIS B 595 19.484 12.328 -3.592 1.00 0.00 O ATOM 1168 CB HIS B 595 19.263 12.464 -6.748 1.00 0.00 C ATOM 1169 CG HIS B 595 18.858 13.897 -6.593 1.00 0.00 C ATOM 1170 ND1 HIS B 595 18.895 14.563 -5.386 1.00 0.00 N ATOM 1171 CD2 HIS B 595 18.406 14.793 -7.502 1.00 0.00 C ATOM 1172 CE1 HIS B 595 18.483 15.806 -5.559 1.00 0.00 C ATOM 1173 NE2 HIS B 595 18.181 15.972 -6.834 1.00 0.00 N ATOM 0 H HIS B 595 20.698 10.362 -7.019 1.00 0.00 H new ATOM 0 HA HIS B 595 21.016 12.901 -5.587 1.00 0.00 H new ATOM 0 HB2 HIS B 595 19.585 12.295 -7.776 1.00 0.00 H new ATOM 0 HB3 HIS B 595 18.394 11.829 -6.578 1.00 0.00 H new ATOM 0 HD1 HIS B 595 19.194 14.159 -4.498 1.00 0.00 H new ATOM 0 HD2 HIS B 595 18.251 14.614 -8.556 1.00 0.00 H new ATOM 0 HE1 HIS B 595 18.406 16.559 -4.789 1.00 0.00 H new ATOM 1181 N MET B 596 19.631 10.224 -4.375 1.00 0.00 N ATOM 1182 CA MET B 596 19.075 9.620 -3.170 1.00 0.00 C ATOM 1183 C MET B 596 19.974 9.883 -1.966 1.00 0.00 C ATOM 1184 O MET B 596 19.493 10.042 -0.843 1.00 0.00 O ATOM 1185 CB MET B 596 18.894 8.113 -3.366 1.00 0.00 C ATOM 1186 CG MET B 596 17.776 7.757 -4.332 1.00 0.00 C ATOM 1187 SD MET B 596 17.652 5.982 -4.625 1.00 0.00 S ATOM 1188 CE MET B 596 17.470 5.374 -2.950 1.00 0.00 C ATOM 0 H MET B 596 19.879 9.557 -5.105 1.00 0.00 H new ATOM 0 HA MET B 596 18.102 10.074 -2.981 1.00 0.00 H new ATOM 0 HB2 MET B 596 19.829 7.687 -3.732 1.00 0.00 H new ATOM 0 HB3 MET B 596 18.690 7.651 -2.400 1.00 0.00 H new ATOM 0 HG2 MET B 596 16.829 8.123 -3.936 1.00 0.00 H new ATOM 0 HG3 MET B 596 17.944 8.267 -5.280 1.00 0.00 H new ATOM 0 HE1 MET B 596 17.102 4.348 -2.973 1.00 0.00 H new ATOM 0 HE2 MET B 596 18.436 5.401 -2.446 1.00 0.00 H new ATOM 0 HE3 MET B 596 16.761 6.002 -2.410 1.00 0.00 H new ATOM 1198 N LEU B 597 21.280 9.929 -2.206 1.00 0.00 N ATOM 1199 CA LEU B 597 22.246 10.173 -1.141 1.00 0.00 C ATOM 1200 C LEU B 597 21.847 11.390 -0.313 1.00 0.00 C ATOM 1201 O LEU B 597 21.922 11.368 0.916 1.00 0.00 O ATOM 1202 CB LEU B 597 23.643 10.377 -1.729 1.00 0.00 C ATOM 1203 CG LEU B 597 24.110 9.322 -2.732 1.00 0.00 C ATOM 1204 CD1 LEU B 597 25.581 9.516 -3.065 1.00 0.00 C ATOM 1205 CD2 LEU B 597 23.865 7.922 -2.186 1.00 0.00 C ATOM 0 H LEU B 597 21.694 9.800 -3.129 1.00 0.00 H new ATOM 0 HA LEU B 597 22.258 9.300 -0.488 1.00 0.00 H new ATOM 0 HB2 LEU B 597 23.671 11.351 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU B 597 24.359 10.411 -0.908 1.00 0.00 H new ATOM 0 HG LEU B 597 23.533 9.439 -3.649 1.00 0.00 H new ATOM 0 HD11 LEU B 597 25.895 8.756 -3.780 1.00 0.00 H new ATOM 0 HD12 LEU B 597 25.729 10.505 -3.498 1.00 0.00 H new ATOM 0 HD13 LEU B 597 26.175 9.426 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU B 597 24.203 7.184 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU B 597 24.416 7.793 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU B 597 22.800 7.786 -1.999 1.00 0.00 H new ATOM 1217 N GLU B 598 21.422 12.449 -0.994 1.00 0.00 N ATOM 1218 CA GLU B 598 21.010 13.675 -0.320 1.00 0.00 C ATOM 1219 C GLU B 598 19.489 13.798 -0.296 1.00 0.00 C ATOM 1220 O GLU B 598 18.946 14.902 -0.255 1.00 0.00 O ATOM 1221 CB GLU B 598 21.621 14.895 -1.013 1.00 0.00 C ATOM 1222 CG GLU B 598 21.108 15.112 -2.426 1.00 0.00 C ATOM 1223 CD GLU B 598 21.517 16.456 -2.996 1.00 0.00 C ATOM 1224 OE1 GLU B 598 20.905 17.474 -2.609 1.00 0.00 O ATOM 1225 OE2 GLU B 598 22.448 16.491 -3.827 1.00 0.00 O ATOM 0 H GLU B 598 21.354 12.483 -2.011 1.00 0.00 H new ATOM 0 HA GLU B 598 21.370 13.632 0.708 1.00 0.00 H new ATOM 0 HB2 GLU B 598 21.410 15.784 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU B 598 22.705 14.781 -1.042 1.00 0.00 H new ATOM 0 HG2 GLU B 598 21.485 14.318 -3.071 1.00 0.00 H new ATOM 0 HG3 GLU B 598 20.021 15.036 -2.429 1.00 0.00 H new ATOM 1232 N SER B 599 18.808 12.657 -0.323 1.00 0.00 N ATOM 1233 CA SER B 599 17.350 12.636 -0.309 1.00 0.00 C ATOM 1234 C SER B 599 16.830 11.712 0.788 1.00 0.00 C ATOM 1235 O SER B 599 16.481 10.556 0.547 1.00 0.00 O ATOM 1236 CB SER B 599 16.813 12.185 -1.669 1.00 0.00 C ATOM 1237 OG SER B 599 16.136 13.243 -2.326 1.00 0.00 O ATOM 0 H SER B 599 19.243 11.735 -0.355 1.00 0.00 H new ATOM 0 HA SER B 599 16.998 13.647 -0.104 1.00 0.00 H new ATOM 0 HB2 SER B 599 17.637 11.834 -2.291 1.00 0.00 H new ATOM 0 HB3 SER B 599 16.134 11.343 -1.535 1.00 0.00 H new ATOM 0 HG SER B 599 15.804 12.930 -3.193 1.00 0.00 H new ATOM 1243 N PRO B 600 16.777 12.232 2.023 1.00 0.00 N ATOM 1244 CA PRO B 600 16.301 11.472 3.182 1.00 0.00 C ATOM 1245 C PRO B 600 14.801 11.206 3.124 1.00 0.00 C ATOM 1246 O PRO B 600 14.265 10.451 3.934 1.00 0.00 O ATOM 1247 CB PRO B 600 16.637 12.383 4.366 1.00 0.00 C ATOM 1248 CG PRO B 600 16.670 13.757 3.789 1.00 0.00 C ATOM 1249 CD PRO B 600 17.178 13.603 2.382 1.00 0.00 C ATOM 0 HA PRO B 600 16.763 10.486 3.240 1.00 0.00 H new ATOM 0 HB2 PRO B 600 15.887 12.302 5.153 1.00 0.00 H new ATOM 0 HB3 PRO B 600 17.596 12.117 4.811 1.00 0.00 H new ATOM 0 HG2 PRO B 600 15.678 14.208 3.798 1.00 0.00 H new ATOM 0 HG3 PRO B 600 17.322 14.409 4.370 1.00 0.00 H new ATOM 0 HD2 PRO B 600 16.735 14.340 1.712 1.00 0.00 H new ATOM 0 HD3 PRO B 600 18.259 13.733 2.329 1.00 0.00 H new ATOM 1257 N GLU B 601 14.130 11.830 2.161 1.00 0.00 N ATOM 1258 CA GLU B 601 12.691 11.659 1.999 1.00 0.00 C ATOM 1259 C GLU B 601 12.383 10.465 1.099 1.00 0.00 C ATOM 1260 O GLU B 601 11.240 10.018 1.012 1.00 0.00 O ATOM 1261 CB GLU B 601 12.067 12.927 1.413 1.00 0.00 C ATOM 1262 CG GLU B 601 12.565 13.261 0.017 1.00 0.00 C ATOM 1263 CD GLU B 601 11.628 14.192 -0.729 1.00 0.00 C ATOM 1264 OE1 GLU B 601 10.928 14.986 -0.067 1.00 0.00 O ATOM 1265 OE2 GLU B 601 11.595 14.126 -1.976 1.00 0.00 O ATOM 0 H GLU B 601 14.560 12.458 1.482 1.00 0.00 H new ATOM 0 HA GLU B 601 12.260 11.472 2.983 1.00 0.00 H new ATOM 0 HB2 GLU B 601 10.984 12.809 1.385 1.00 0.00 H new ATOM 0 HB3 GLU B 601 12.279 13.766 2.076 1.00 0.00 H new ATOM 0 HG2 GLU B 601 13.550 13.723 0.087 1.00 0.00 H new ATOM 0 HG3 GLU B 601 12.685 12.339 -0.552 1.00 0.00 H new ATOM 1272 N SER B 602 13.412 9.954 0.431 1.00 0.00 N ATOM 1273 CA SER B 602 13.252 8.815 -0.466 1.00 0.00 C ATOM 1274 C SER B 602 14.000 7.596 0.065 1.00 0.00 C ATOM 1275 O SER B 602 13.509 6.469 -0.013 1.00 0.00 O ATOM 1276 CB SER B 602 13.756 9.167 -1.867 1.00 0.00 C ATOM 1277 OG SER B 602 13.089 10.308 -2.377 1.00 0.00 O ATOM 0 H SER B 602 14.366 10.311 0.494 1.00 0.00 H new ATOM 0 HA SER B 602 12.191 8.573 -0.520 1.00 0.00 H new ATOM 0 HB2 SER B 602 14.829 9.354 -1.834 1.00 0.00 H new ATOM 0 HB3 SER B 602 13.600 8.321 -2.536 1.00 0.00 H new ATOM 0 HG SER B 602 13.430 10.513 -3.272 1.00 0.00 H new ATOM 1283 N LEU B 603 15.191 7.830 0.605 1.00 0.00 N ATOM 1284 CA LEU B 603 16.009 6.752 1.150 1.00 0.00 C ATOM 1285 C LEU B 603 15.201 5.890 2.116 1.00 0.00 C ATOM 1286 O LEU B 603 15.110 4.673 1.950 1.00 0.00 O ATOM 1287 CB LEU B 603 17.234 7.325 1.864 1.00 0.00 C ATOM 1288 CG LEU B 603 18.299 6.313 2.288 1.00 0.00 C ATOM 1289 CD1 LEU B 603 18.721 5.455 1.105 1.00 0.00 C ATOM 1290 CD2 LEU B 603 19.502 7.025 2.889 1.00 0.00 C ATOM 0 H LEU B 603 15.612 8.756 0.677 1.00 0.00 H new ATOM 0 HA LEU B 603 16.339 6.126 0.321 1.00 0.00 H new ATOM 0 HB2 LEU B 603 17.701 8.060 1.208 1.00 0.00 H new ATOM 0 HB3 LEU B 603 16.895 7.859 2.752 1.00 0.00 H new ATOM 0 HG LEU B 603 17.871 5.661 3.049 1.00 0.00 H new ATOM 0 HD11 LEU B 603 19.479 4.741 1.426 1.00 0.00 H new ATOM 0 HD12 LEU B 603 17.855 4.916 0.719 1.00 0.00 H new ATOM 0 HD13 LEU B 603 19.131 6.092 0.321 1.00 0.00 H new ATOM 0 HD21 LEU B 603 20.250 6.289 3.185 1.00 0.00 H new ATOM 0 HD22 LEU B 603 19.931 7.701 2.150 1.00 0.00 H new ATOM 0 HD23 LEU B 603 19.188 7.595 3.763 1.00 0.00 H new ATOM 1302 N ARG B 604 14.615 6.529 3.123 1.00 0.00 N ATOM 1303 CA ARG B 604 13.814 5.821 4.114 1.00 0.00 C ATOM 1304 C ARG B 604 12.727 4.989 3.441 1.00 0.00 C ATOM 1305 O ARG B 604 12.419 3.881 3.879 1.00 0.00 O ATOM 1306 CB ARG B 604 13.180 6.813 5.091 1.00 0.00 C ATOM 1307 CG ARG B 604 14.175 7.787 5.701 1.00 0.00 C ATOM 1308 CD ARG B 604 15.313 7.058 6.398 1.00 0.00 C ATOM 1309 NE ARG B 604 14.840 6.250 7.519 1.00 0.00 N ATOM 1310 CZ ARG B 604 14.517 6.756 8.704 1.00 0.00 C ATOM 1311 NH1 ARG B 604 14.615 8.060 8.922 1.00 0.00 N ATOM 1312 NH2 ARG B 604 14.094 5.956 9.675 1.00 0.00 N ATOM 0 H ARG B 604 14.680 7.536 3.274 1.00 0.00 H new ATOM 0 HA ARG B 604 14.473 5.149 4.664 1.00 0.00 H new ATOM 0 HB2 ARG B 604 12.405 7.376 4.572 1.00 0.00 H new ATOM 0 HB3 ARG B 604 12.690 6.259 5.891 1.00 0.00 H new ATOM 0 HG2 ARG B 604 14.579 8.432 4.921 1.00 0.00 H new ATOM 0 HG3 ARG B 604 13.663 8.432 6.415 1.00 0.00 H new ATOM 0 HD2 ARG B 604 15.826 6.418 5.681 1.00 0.00 H new ATOM 0 HD3 ARG B 604 16.043 7.784 6.757 1.00 0.00 H new ATOM 0 HE ARG B 604 14.753 5.243 7.385 1.00 0.00 H new ATOM 0 HH11 ARG B 604 14.939 8.678 8.178 1.00 0.00 H new ATOM 0 HH12 ARG B 604 14.366 8.445 9.833 1.00 0.00 H new ATOM 0 HH21 ARG B 604 14.017 4.952 9.511 1.00 0.00 H new ATOM 0 HH22 ARG B 604 13.846 6.345 10.585 1.00 0.00 H new ATOM 1326 N SER B 605 12.149 5.531 2.373 1.00 0.00 N ATOM 1327 CA SER B 605 11.093 4.841 1.642 1.00 0.00 C ATOM 1328 C SER B 605 11.611 3.537 1.042 1.00 0.00 C ATOM 1329 O SER B 605 10.990 2.484 1.187 1.00 0.00 O ATOM 1330 CB SER B 605 10.539 5.740 0.535 1.00 0.00 C ATOM 1331 OG SER B 605 9.154 5.513 0.340 1.00 0.00 O ATOM 0 H SER B 605 12.395 6.446 1.995 1.00 0.00 H new ATOM 0 HA SER B 605 10.293 4.606 2.344 1.00 0.00 H new ATOM 0 HB2 SER B 605 10.707 6.786 0.793 1.00 0.00 H new ATOM 0 HB3 SER B 605 11.076 5.551 -0.394 1.00 0.00 H new ATOM 0 HG SER B 605 8.823 6.101 -0.371 1.00 0.00 H new ATOM 1337 N LYS B 606 12.753 3.616 0.368 1.00 0.00 N ATOM 1338 CA LYS B 606 13.358 2.444 -0.253 1.00 0.00 C ATOM 1339 C LYS B 606 13.655 1.368 0.787 1.00 0.00 C ATOM 1340 O LYS B 606 13.230 0.221 0.648 1.00 0.00 O ATOM 1341 CB LYS B 606 14.646 2.834 -0.981 1.00 0.00 C ATOM 1342 CG LYS B 606 14.427 3.242 -2.428 1.00 0.00 C ATOM 1343 CD LYS B 606 13.929 4.674 -2.535 1.00 0.00 C ATOM 1344 CE LYS B 606 13.705 5.080 -3.983 1.00 0.00 C ATOM 1345 NZ LYS B 606 12.745 4.173 -4.671 1.00 0.00 N ATOM 0 H LYS B 606 13.279 4.480 0.238 1.00 0.00 H new ATOM 0 HA LYS B 606 12.648 2.040 -0.975 1.00 0.00 H new ATOM 0 HB2 LYS B 606 15.120 3.658 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS B 606 15.340 1.994 -0.950 1.00 0.00 H new ATOM 0 HG2 LYS B 606 15.360 3.138 -2.981 1.00 0.00 H new ATOM 0 HG3 LYS B 606 13.705 2.569 -2.891 1.00 0.00 H new ATOM 0 HD2 LYS B 606 12.998 4.779 -1.979 1.00 0.00 H new ATOM 0 HD3 LYS B 606 14.653 5.347 -2.075 1.00 0.00 H new ATOM 0 HE2 LYS B 606 13.329 6.102 -4.019 1.00 0.00 H new ATOM 0 HE3 LYS B 606 14.657 5.072 -4.514 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 12.436 4.607 -5.564 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 13.208 3.263 -4.870 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 11.919 4.014 -4.060 1.00 0.00 H new ATOM 1359 N VAL B 607 14.387 1.747 1.830 1.00 0.00 N ATOM 1360 CA VAL B 607 14.739 0.816 2.895 1.00 0.00 C ATOM 1361 C VAL B 607 13.500 0.124 3.453 1.00 0.00 C ATOM 1362 O VAL B 607 13.421 -1.104 3.479 1.00 0.00 O ATOM 1363 CB VAL B 607 15.476 1.530 4.044 1.00 0.00 C ATOM 1364 CG1 VAL B 607 15.874 0.535 5.124 1.00 0.00 C ATOM 1365 CG2 VAL B 607 16.694 2.271 3.516 1.00 0.00 C ATOM 0 H VAL B 607 14.748 2.692 1.960 1.00 0.00 H new ATOM 0 HA VAL B 607 15.401 0.070 2.456 1.00 0.00 H new ATOM 0 HB VAL B 607 14.799 2.260 4.488 1.00 0.00 H new ATOM 0 HG11 VAL B 607 16.393 1.058 5.927 1.00 0.00 H new ATOM 0 HG12 VAL B 607 14.981 0.054 5.522 1.00 0.00 H new ATOM 0 HG13 VAL B 607 16.533 -0.221 4.697 1.00 0.00 H new ATOM 0 HG21 VAL B 607 17.203 2.770 4.341 1.00 0.00 H new ATOM 0 HG22 VAL B 607 17.375 1.562 3.045 1.00 0.00 H new ATOM 0 HG23 VAL B 607 16.379 3.013 2.783 1.00 0.00 H new ATOM 1375 N ASP B 608 12.534 0.921 3.896 1.00 0.00 N ATOM 1376 CA ASP B 608 11.297 0.386 4.452 1.00 0.00 C ATOM 1377 C ASP B 608 10.598 -0.523 3.447 1.00 0.00 C ATOM 1378 O ASP B 608 10.084 -1.582 3.806 1.00 0.00 O ATOM 1379 CB ASP B 608 10.363 1.526 4.863 1.00 0.00 C ATOM 1380 CG ASP B 608 9.301 1.078 5.849 1.00 0.00 C ATOM 1381 OD1 ASP B 608 9.644 0.856 7.029 1.00 0.00 O ATOM 1382 OD2 ASP B 608 8.128 0.948 5.440 1.00 0.00 O ATOM 0 H ASP B 608 12.584 1.940 3.881 1.00 0.00 H new ATOM 0 HA ASP B 608 11.549 -0.203 5.334 1.00 0.00 H new ATOM 0 HB2 ASP B 608 10.950 2.331 5.306 1.00 0.00 H new ATOM 0 HB3 ASP B 608 9.881 1.935 3.975 1.00 0.00 H new ATOM 1387 N GLU B 609 10.582 -0.102 2.186 1.00 0.00 N ATOM 1388 CA GLU B 609 9.944 -0.878 1.129 1.00 0.00 C ATOM 1389 C GLU B 609 10.519 -2.291 1.070 1.00 0.00 C ATOM 1390 O GLU B 609 9.778 -3.271 1.004 1.00 0.00 O ATOM 1391 CB GLU B 609 10.124 -0.185 -0.223 1.00 0.00 C ATOM 1392 CG GLU B 609 9.151 0.958 -0.455 1.00 0.00 C ATOM 1393 CD GLU B 609 7.843 0.496 -1.067 1.00 0.00 C ATOM 1394 OE1 GLU B 609 7.885 -0.218 -2.091 1.00 0.00 O ATOM 1395 OE2 GLU B 609 6.776 0.847 -0.520 1.00 0.00 O ATOM 0 H GLU B 609 11.004 0.772 1.872 1.00 0.00 H new ATOM 0 HA GLU B 609 8.880 -0.946 1.355 1.00 0.00 H new ATOM 0 HB2 GLU B 609 11.143 0.196 -0.294 1.00 0.00 H new ATOM 0 HB3 GLU B 609 10.003 -0.921 -1.018 1.00 0.00 H new ATOM 0 HG2 GLU B 609 8.948 1.456 0.493 1.00 0.00 H new ATOM 0 HG3 GLU B 609 9.613 1.696 -1.110 1.00 0.00 H new ATOM 1402 N ALA B 610 11.844 -2.385 1.093 1.00 0.00 N ATOM 1403 CA ALA B 610 12.519 -3.677 1.043 1.00 0.00 C ATOM 1404 C ALA B 610 12.195 -4.513 2.277 1.00 0.00 C ATOM 1405 O ALA B 610 11.658 -5.616 2.168 1.00 0.00 O ATOM 1406 CB ALA B 610 14.022 -3.482 0.915 1.00 0.00 C ATOM 0 H ALA B 610 12.472 -1.583 1.146 1.00 0.00 H new ATOM 0 HA ALA B 610 12.158 -4.215 0.167 1.00 0.00 H new ATOM 0 HB1 ALA B 610 14.513 -4.454 0.879 1.00 0.00 H new ATOM 0 HB2 ALA B 610 14.241 -2.931 0.001 1.00 0.00 H new ATOM 0 HB3 ALA B 610 14.391 -2.921 1.774 1.00 0.00 H new ATOM 1412 N VAL B 611 12.525 -3.982 3.450 1.00 0.00 N ATOM 1413 CA VAL B 611 12.269 -4.680 4.704 1.00 0.00 C ATOM 1414 C VAL B 611 10.818 -5.137 4.792 1.00 0.00 C ATOM 1415 O VAL B 611 10.526 -6.216 5.307 1.00 0.00 O ATOM 1416 CB VAL B 611 12.590 -3.788 5.918 1.00 0.00 C ATOM 1417 CG1 VAL B 611 12.248 -4.507 7.214 1.00 0.00 C ATOM 1418 CG2 VAL B 611 14.052 -3.370 5.900 1.00 0.00 C ATOM 0 H VAL B 611 12.970 -3.071 3.558 1.00 0.00 H new ATOM 0 HA VAL B 611 12.923 -5.552 4.720 1.00 0.00 H new ATOM 0 HB VAL B 611 11.978 -2.888 5.858 1.00 0.00 H new ATOM 0 HG11 VAL B 611 12.481 -3.862 8.061 1.00 0.00 H new ATOM 0 HG12 VAL B 611 11.186 -4.751 7.226 1.00 0.00 H new ATOM 0 HG13 VAL B 611 12.831 -5.425 7.286 1.00 0.00 H new ATOM 0 HG21 VAL B 611 14.261 -2.740 6.765 1.00 0.00 H new ATOM 0 HG22 VAL B 611 14.684 -4.257 5.936 1.00 0.00 H new ATOM 0 HG23 VAL B 611 14.260 -2.813 4.987 1.00 0.00 H new ATOM 1428 N ALA B 612 9.910 -4.309 4.285 1.00 0.00 N ATOM 1429 CA ALA B 612 8.488 -4.629 4.304 1.00 0.00 C ATOM 1430 C ALA B 612 8.146 -5.671 3.245 1.00 0.00 C ATOM 1431 O ALA B 612 7.278 -6.520 3.452 1.00 0.00 O ATOM 1432 CB ALA B 612 7.661 -3.369 4.094 1.00 0.00 C ATOM 0 H ALA B 612 10.134 -3.411 3.856 1.00 0.00 H new ATOM 0 HA ALA B 612 8.248 -5.049 5.281 1.00 0.00 H new ATOM 0 HB1 ALA B 612 6.601 -3.623 4.110 1.00 0.00 H new ATOM 0 HB2 ALA B 612 7.876 -2.656 4.890 1.00 0.00 H new ATOM 0 HB3 ALA B 612 7.913 -2.925 3.131 1.00 0.00 H new ATOM 1438 N VAL B 613 8.833 -5.602 2.109 1.00 0.00 N ATOM 1439 CA VAL B 613 8.602 -6.540 1.017 1.00 0.00 C ATOM 1440 C VAL B 613 8.735 -7.982 1.494 1.00 0.00 C ATOM 1441 O VAL B 613 8.141 -8.895 0.920 1.00 0.00 O ATOM 1442 CB VAL B 613 9.585 -6.302 -0.145 1.00 0.00 C ATOM 1443 CG1 VAL B 613 10.702 -7.334 -0.119 1.00 0.00 C ATOM 1444 CG2 VAL B 613 8.851 -6.332 -1.477 1.00 0.00 C ATOM 0 H VAL B 613 9.554 -4.906 1.921 1.00 0.00 H new ATOM 0 HA VAL B 613 7.585 -6.370 0.663 1.00 0.00 H new ATOM 0 HB VAL B 613 10.032 -5.315 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL B 613 11.387 -7.150 -0.947 1.00 0.00 H new ATOM 0 HG12 VAL B 613 11.244 -7.260 0.824 1.00 0.00 H new ATOM 0 HG13 VAL B 613 10.277 -8.333 -0.215 1.00 0.00 H new ATOM 0 HG21 VAL B 613 9.560 -6.162 -2.287 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.376 -7.304 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL B 613 8.090 -5.551 -1.491 1.00 0.00 H new ATOM 1454 N LEU B 614 9.520 -8.180 2.548 1.00 0.00 N ATOM 1455 CA LEU B 614 9.731 -9.512 3.104 1.00 0.00 C ATOM 1456 C LEU B 614 8.504 -9.981 3.879 1.00 0.00 C ATOM 1457 O LEU B 614 7.995 -11.077 3.648 1.00 0.00 O ATOM 1458 CB LEU B 614 10.957 -9.515 4.019 1.00 0.00 C ATOM 1459 CG LEU B 614 11.240 -10.824 4.759 1.00 0.00 C ATOM 1460 CD1 LEU B 614 10.453 -10.883 6.059 1.00 0.00 C ATOM 1461 CD2 LEU B 614 10.906 -12.017 3.876 1.00 0.00 C ATOM 0 H LEU B 614 10.020 -7.436 3.034 1.00 0.00 H new ATOM 0 HA LEU B 614 9.900 -10.201 2.276 1.00 0.00 H new ATOM 0 HB2 LEU B 614 11.832 -9.263 3.421 1.00 0.00 H new ATOM 0 HB3 LEU B 614 10.836 -8.722 4.757 1.00 0.00 H new ATOM 0 HG LEU B 614 12.302 -10.861 5.000 1.00 0.00 H new ATOM 0 HD11 LEU B 614 10.667 -11.821 6.572 1.00 0.00 H new ATOM 0 HD12 LEU B 614 10.741 -10.047 6.697 1.00 0.00 H new ATOM 0 HD13 LEU B 614 9.387 -10.823 5.842 1.00 0.00 H new ATOM 0 HD21 LEU B 614 11.113 -12.940 4.418 1.00 0.00 H new ATOM 0 HD22 LEU B 614 9.851 -11.985 3.604 1.00 0.00 H new ATOM 0 HD23 LEU B 614 11.514 -11.982 2.972 1.00 0.00 H new ATOM 1473 N GLN B 615 8.032 -9.141 4.795 1.00 0.00 N ATOM 1474 CA GLN B 615 6.863 -9.470 5.602 1.00 0.00 C ATOM 1475 C GLN B 615 5.692 -9.888 4.719 1.00 0.00 C ATOM 1476 O GLN B 615 4.853 -10.692 5.123 1.00 0.00 O ATOM 1477 CB GLN B 615 6.462 -8.274 6.467 1.00 0.00 C ATOM 1478 CG GLN B 615 7.621 -7.669 7.243 1.00 0.00 C ATOM 1479 CD GLN B 615 7.300 -7.472 8.712 1.00 0.00 C ATOM 1480 OE1 GLN B 615 6.526 -8.229 9.297 1.00 0.00 O ATOM 1481 NE2 GLN B 615 7.896 -6.450 9.316 1.00 0.00 N ATOM 0 H GLN B 615 8.441 -8.229 4.997 1.00 0.00 H new ATOM 0 HA GLN B 615 7.124 -10.307 6.249 1.00 0.00 H new ATOM 0 HB2 GLN B 615 6.022 -7.507 5.830 1.00 0.00 H new ATOM 0 HB3 GLN B 615 5.689 -8.587 7.169 1.00 0.00 H new ATOM 0 HG2 GLN B 615 8.493 -8.316 7.149 1.00 0.00 H new ATOM 0 HG3 GLN B 615 7.887 -6.709 6.801 1.00 0.00 H new ATOM 0 HE21 GLN B 615 8.531 -5.848 8.792 1.00 0.00 H new ATOM 0 HE22 GLN B 615 7.719 -6.268 10.304 1.00 0.00 H new ATOM 1490 N ALA B 616 5.642 -9.337 3.510 1.00 0.00 N ATOM 1491 CA ALA B 616 4.576 -9.655 2.569 1.00 0.00 C ATOM 1492 C ALA B 616 4.771 -11.041 1.965 1.00 0.00 C ATOM 1493 O ALA B 616 3.818 -11.808 1.825 1.00 0.00 O ATOM 1494 CB ALA B 616 4.510 -8.603 1.472 1.00 0.00 C ATOM 0 H ALA B 616 6.328 -8.668 3.160 1.00 0.00 H new ATOM 0 HA ALA B 616 3.632 -9.656 3.114 1.00 0.00 H new ATOM 0 HB1 ALA B 616 3.709 -8.853 0.776 1.00 0.00 H new ATOM 0 HB2 ALA B 616 4.314 -7.627 1.915 1.00 0.00 H new ATOM 0 HB3 ALA B 616 5.460 -8.575 0.938 1.00 0.00 H new