USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=10 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 556 GLN : amide:sc= -0.375 X(o=-0.38,f=0.0089) USER MOD Set 1.2: B 559 LYS NZ :NH3+ -173:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 558 GLN : amide:sc= -0.0859 X(o=-0.086,f=0) USER MOD Single : B 560 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : B 561 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 571 GLN : amide:sc= -0.167 K(o=-0.17,f=-4.9!) USER MOD Single : B 573 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 574 HIS : no HD1:sc= -2.18! C(o=-2.2!,f=-2.1!) USER MOD Single : B 576 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : B 580 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.118) USER MOD Single : B 582 THR OG1 : rot 67:sc= 1.3 USER MOD Single : B 584 MET CE :methyl 152:sc= -0.566 (180deg=-2.17) USER MOD Single : B 590 ASN : amide:sc= -0.248 K(o=-0.25,f=-3!) USER MOD Single : B 591 SER OG : rot 180:sc= 0 USER MOD Single : B 595 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 596 MET CE :methyl 164:sc= -0.163 (180deg=-0.745) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 615 GLN : amide:sc= -0.21 K(o=-0.21,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 67 N VAL A 77 9.140 -2.666 -6.080 1.00 0.00 N ATOM 68 CA VAL A 77 8.986 -4.102 -5.880 1.00 0.00 C ATOM 69 C VAL A 77 10.341 -4.801 -5.847 1.00 0.00 C ATOM 70 O VAL A 77 10.734 -5.492 -6.788 1.00 0.00 O ATOM 71 CB VAL A 77 8.122 -4.734 -6.988 1.00 0.00 C ATOM 72 CG1 VAL A 77 6.657 -4.377 -6.791 1.00 0.00 C ATOM 73 CG2 VAL A 77 8.607 -4.290 -8.360 1.00 0.00 C ATOM 0 HA VAL A 77 8.488 -4.236 -4.920 1.00 0.00 H new ATOM 0 HB VAL A 77 8.219 -5.818 -6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.062 -4.832 -7.583 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.319 -4.749 -5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.539 -3.294 -6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.985 -4.746 -9.131 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.541 -3.205 -8.436 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.643 -4.601 -8.498 1.00 0.00 H new ATOM 83 N PRO A 78 11.073 -4.619 -4.739 1.00 0.00 N ATOM 84 CA PRO A 78 12.395 -5.225 -4.555 1.00 0.00 C ATOM 85 C PRO A 78 12.320 -6.738 -4.375 1.00 0.00 C ATOM 86 O PRO A 78 11.370 -7.256 -3.790 1.00 0.00 O ATOM 87 CB PRO A 78 12.916 -4.560 -3.279 1.00 0.00 C ATOM 88 CG PRO A 78 11.691 -4.158 -2.534 1.00 0.00 C ATOM 89 CD PRO A 78 10.667 -3.809 -3.579 1.00 0.00 C ATOM 0 HA PRO A 78 13.037 -5.074 -5.423 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.527 -5.248 -2.695 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.541 -3.697 -3.509 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.338 -4.969 -1.897 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.891 -3.306 -1.884 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.657 -4.056 -3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.676 -2.744 -3.810 1.00 0.00 H new ATOM 97 N ASN A 79 13.328 -7.440 -4.883 1.00 0.00 N ATOM 98 CA ASN A 79 13.375 -8.894 -4.778 1.00 0.00 C ATOM 99 C ASN A 79 14.051 -9.324 -3.480 1.00 0.00 C ATOM 100 O ASN A 79 15.278 -9.331 -3.379 1.00 0.00 O ATOM 101 CB ASN A 79 14.119 -9.489 -5.975 1.00 0.00 C ATOM 102 CG ASN A 79 13.642 -8.916 -7.295 1.00 0.00 C ATOM 103 OD1 ASN A 79 12.634 -9.357 -7.849 1.00 0.00 O ATOM 104 ND2 ASN A 79 14.365 -7.927 -7.807 1.00 0.00 N ATOM 0 H ASN A 79 14.122 -7.026 -5.371 1.00 0.00 H new ATOM 0 HA ASN A 79 12.351 -9.266 -4.774 1.00 0.00 H new ATOM 0 HB2 ASN A 79 15.187 -9.301 -5.865 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.985 -10.571 -5.982 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.092 -7.502 -8.693 1.00 0.00 H new ATOM 0 HD22 ASN A 79 15.193 -7.593 -7.314 1.00 0.00 H new ATOM 111 N VAL A 80 13.242 -9.683 -2.488 1.00 0.00 N ATOM 112 CA VAL A 80 13.762 -10.116 -1.196 1.00 0.00 C ATOM 113 C VAL A 80 14.704 -11.305 -1.353 1.00 0.00 C ATOM 114 O VAL A 80 15.590 -11.522 -0.527 1.00 0.00 O ATOM 115 CB VAL A 80 12.623 -10.502 -0.234 1.00 0.00 C ATOM 116 CG1 VAL A 80 11.604 -11.385 -0.938 1.00 0.00 C ATOM 117 CG2 VAL A 80 13.180 -11.196 1.000 1.00 0.00 C ATOM 0 H VAL A 80 12.224 -9.683 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 80 14.312 -9.273 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 80 12.118 -9.591 0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.807 -11.647 -0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.182 -10.848 -1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.092 -12.294 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.361 -11.462 1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.712 -12.099 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.867 -10.525 1.516 1.00 0.00 H new ATOM 127 N HIS A 81 14.506 -12.073 -2.420 1.00 0.00 N ATOM 128 CA HIS A 81 15.339 -13.240 -2.687 1.00 0.00 C ATOM 129 C HIS A 81 16.725 -12.820 -3.168 1.00 0.00 C ATOM 130 O HIS A 81 17.610 -13.656 -3.346 1.00 0.00 O ATOM 131 CB HIS A 81 14.675 -14.139 -3.731 1.00 0.00 C ATOM 132 CG HIS A 81 13.267 -14.517 -3.386 1.00 0.00 C ATOM 133 ND1 HIS A 81 12.169 -13.808 -3.823 1.00 0.00 N ATOM 134 CD2 HIS A 81 12.782 -15.540 -2.644 1.00 0.00 C ATOM 135 CE1 HIS A 81 11.069 -14.376 -3.362 1.00 0.00 C ATOM 136 NE2 HIS A 81 11.413 -15.430 -2.645 1.00 0.00 N ATOM 0 H HIS A 81 13.776 -11.908 -3.113 1.00 0.00 H new ATOM 0 HA HIS A 81 15.450 -13.797 -1.757 1.00 0.00 H new ATOM 0 HB2 HIS A 81 14.680 -13.629 -4.694 1.00 0.00 H new ATOM 0 HB3 HIS A 81 15.268 -15.046 -3.848 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.363 -16.301 -2.144 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.060 -14.036 -3.541 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.767 -16.060 -2.169 1.00 0.00 H new ATOM 144 N ALA A 82 16.904 -11.520 -3.377 1.00 0.00 N ATOM 145 CA ALA A 82 18.182 -10.989 -3.836 1.00 0.00 C ATOM 146 C ALA A 82 19.331 -11.506 -2.977 1.00 0.00 C ATOM 147 O ALA A 82 19.112 -12.086 -1.914 1.00 0.00 O ATOM 148 CB ALA A 82 18.156 -9.468 -3.827 1.00 0.00 C ATOM 0 H ALA A 82 16.180 -10.815 -3.236 1.00 0.00 H new ATOM 0 HA ALA A 82 18.344 -11.332 -4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 82 19.117 -9.086 -4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.366 -9.114 -4.489 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.967 -9.113 -2.814 1.00 0.00 H new ATOM 154 N ALA A 83 20.557 -11.293 -3.446 1.00 0.00 N ATOM 155 CA ALA A 83 21.740 -11.736 -2.720 1.00 0.00 C ATOM 156 C ALA A 83 22.615 -10.552 -2.321 1.00 0.00 C ATOM 157 O ALA A 83 22.479 -9.458 -2.866 1.00 0.00 O ATOM 158 CB ALA A 83 22.536 -12.724 -3.560 1.00 0.00 C ATOM 0 H ALA A 83 20.756 -10.816 -4.326 1.00 0.00 H new ATOM 0 HA ALA A 83 21.411 -12.234 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 83 23.417 -13.046 -3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 83 21.915 -13.590 -3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 83 22.847 -12.245 -4.488 1.00 0.00 H new ATOM 164 N GLU A 84 23.512 -10.780 -1.367 1.00 0.00 N ATOM 165 CA GLU A 84 24.408 -9.730 -0.895 1.00 0.00 C ATOM 166 C GLU A 84 25.126 -9.062 -2.064 1.00 0.00 C ATOM 167 O GLU A 84 25.421 -9.702 -3.074 1.00 0.00 O ATOM 168 CB GLU A 84 25.432 -10.306 0.085 1.00 0.00 C ATOM 169 CG GLU A 84 26.316 -11.383 -0.520 1.00 0.00 C ATOM 170 CD GLU A 84 27.002 -12.234 0.531 1.00 0.00 C ATOM 171 OE1 GLU A 84 26.950 -11.862 1.722 1.00 0.00 O ATOM 172 OE2 GLU A 84 27.589 -13.272 0.162 1.00 0.00 O ATOM 0 H GLU A 84 23.638 -11.681 -0.906 1.00 0.00 H new ATOM 0 HA GLU A 84 23.808 -8.978 -0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 84 26.062 -9.497 0.456 1.00 0.00 H new ATOM 0 HB3 GLU A 84 24.906 -10.721 0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 84 25.713 -12.023 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 84 27.071 -10.915 -1.153 1.00 0.00 H new ATOM 179 N PHE A 85 25.405 -7.771 -1.920 1.00 0.00 N ATOM 180 CA PHE A 85 26.087 -7.015 -2.964 1.00 0.00 C ATOM 181 C PHE A 85 27.571 -7.366 -3.008 1.00 0.00 C ATOM 182 O PHE A 85 28.205 -7.301 -4.062 1.00 0.00 O ATOM 183 CB PHE A 85 25.914 -5.512 -2.730 1.00 0.00 C ATOM 184 CG PHE A 85 27.031 -4.897 -1.937 1.00 0.00 C ATOM 185 CD1 PHE A 85 27.039 -4.971 -0.553 1.00 0.00 C ATOM 186 CD2 PHE A 85 28.073 -4.243 -2.575 1.00 0.00 C ATOM 187 CE1 PHE A 85 28.065 -4.406 0.180 1.00 0.00 C ATOM 188 CE2 PHE A 85 29.103 -3.677 -1.847 1.00 0.00 C ATOM 189 CZ PHE A 85 29.098 -3.757 -0.468 1.00 0.00 C ATOM 0 H PHE A 85 25.169 -7.226 -1.090 1.00 0.00 H new ATOM 0 HA PHE A 85 25.640 -7.281 -3.922 1.00 0.00 H new ATOM 0 HB2 PHE A 85 25.843 -5.008 -3.694 1.00 0.00 H new ATOM 0 HB3 PHE A 85 24.972 -5.339 -2.210 1.00 0.00 H new ATOM 0 HD1 PHE A 85 26.233 -5.476 -0.041 1.00 0.00 H new ATOM 0 HD2 PHE A 85 28.080 -4.175 -3.653 1.00 0.00 H new ATOM 0 HE1 PHE A 85 28.059 -4.472 1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 85 29.911 -3.173 -2.356 1.00 0.00 H new ATOM 0 HZ PHE A 85 29.900 -3.313 0.103 1.00 0.00 H new ATOM 537 N GLN B 556 31.371 -1.851 -13.106 1.00 0.00 N ATOM 538 CA GLN B 556 31.439 -3.109 -12.372 1.00 0.00 C ATOM 539 C GLN B 556 31.881 -2.875 -10.931 1.00 0.00 C ATOM 540 O GLN B 556 31.567 -3.663 -10.040 1.00 0.00 O ATOM 541 CB GLN B 556 32.402 -4.076 -13.063 1.00 0.00 C ATOM 542 CG GLN B 556 32.093 -5.540 -12.792 1.00 0.00 C ATOM 543 CD GLN B 556 31.104 -6.121 -13.783 1.00 0.00 C ATOM 544 OE1 GLN B 556 31.485 -6.828 -14.716 1.00 0.00 O ATOM 545 NE2 GLN B 556 29.825 -5.824 -13.585 1.00 0.00 N ATOM 0 HA GLN B 556 30.441 -3.548 -12.360 1.00 0.00 H new ATOM 0 HB2 GLN B 556 32.371 -3.900 -14.138 1.00 0.00 H new ATOM 0 HB3 GLN B 556 33.418 -3.861 -12.734 1.00 0.00 H new ATOM 0 HG2 GLN B 556 33.018 -6.115 -12.828 1.00 0.00 H new ATOM 0 HG3 GLN B 556 31.693 -5.642 -11.783 1.00 0.00 H new ATOM 0 HE21 GLN B 556 29.554 -5.234 -12.798 1.00 0.00 H new ATOM 0 HE22 GLN B 556 29.113 -6.186 -14.220 1.00 0.00 H new ATOM 554 N GLU B 557 32.612 -1.786 -10.711 1.00 0.00 N ATOM 555 CA GLU B 557 33.098 -1.450 -9.378 1.00 0.00 C ATOM 556 C GLU B 557 32.192 -0.418 -8.713 1.00 0.00 C ATOM 557 O GLU B 557 32.100 -0.357 -7.488 1.00 0.00 O ATOM 558 CB GLU B 557 34.530 -0.915 -9.453 1.00 0.00 C ATOM 559 CG GLU B 557 35.563 -1.984 -9.770 1.00 0.00 C ATOM 560 CD GLU B 557 35.836 -2.899 -8.592 1.00 0.00 C ATOM 561 OE1 GLU B 557 35.874 -2.397 -7.449 1.00 0.00 O ATOM 562 OE2 GLU B 557 36.013 -4.115 -8.813 1.00 0.00 O ATOM 0 H GLU B 557 32.880 -1.123 -11.438 1.00 0.00 H new ATOM 0 HA GLU B 557 33.088 -2.358 -8.776 1.00 0.00 H new ATOM 0 HB2 GLU B 557 34.579 -0.137 -10.215 1.00 0.00 H new ATOM 0 HB3 GLU B 557 34.784 -0.446 -8.502 1.00 0.00 H new ATOM 0 HG2 GLU B 557 35.217 -2.579 -10.615 1.00 0.00 H new ATOM 0 HG3 GLU B 557 36.493 -1.506 -10.077 1.00 0.00 H new ATOM 569 N GLN B 558 31.527 0.391 -9.531 1.00 0.00 N ATOM 570 CA GLN B 558 30.630 1.422 -9.023 1.00 0.00 C ATOM 571 C GLN B 558 29.625 0.831 -8.039 1.00 0.00 C ATOM 572 O GLN B 558 29.460 1.332 -6.926 1.00 0.00 O ATOM 573 CB GLN B 558 29.892 2.101 -10.178 1.00 0.00 C ATOM 574 CG GLN B 558 30.659 3.262 -10.791 1.00 0.00 C ATOM 575 CD GLN B 558 29.781 4.153 -11.647 1.00 0.00 C ATOM 576 OE1 GLN B 558 29.836 5.379 -11.546 1.00 0.00 O ATOM 577 NE2 GLN B 558 28.966 3.541 -12.498 1.00 0.00 N ATOM 0 H GLN B 558 31.592 0.352 -10.548 1.00 0.00 H new ATOM 0 HA GLN B 558 31.231 2.165 -8.499 1.00 0.00 H new ATOM 0 HB2 GLN B 558 29.688 1.362 -10.953 1.00 0.00 H new ATOM 0 HB3 GLN B 558 28.928 2.462 -9.820 1.00 0.00 H new ATOM 0 HG2 GLN B 558 31.108 3.857 -9.995 1.00 0.00 H new ATOM 0 HG3 GLN B 558 31.477 2.873 -11.398 1.00 0.00 H new ATOM 0 HE21 GLN B 558 28.953 2.522 -12.549 1.00 0.00 H new ATOM 0 HE22 GLN B 558 28.353 4.090 -13.101 1.00 0.00 H new ATOM 586 N LYS B 559 28.954 -0.237 -8.456 1.00 0.00 N ATOM 587 CA LYS B 559 27.965 -0.897 -7.612 1.00 0.00 C ATOM 588 C LYS B 559 28.551 -1.227 -6.243 1.00 0.00 C ATOM 589 O LYS B 559 27.933 -0.958 -5.213 1.00 0.00 O ATOM 590 CB LYS B 559 27.463 -2.177 -8.285 1.00 0.00 C ATOM 591 CG LYS B 559 28.578 -3.099 -8.746 1.00 0.00 C ATOM 592 CD LYS B 559 28.042 -4.244 -9.590 1.00 0.00 C ATOM 593 CE LYS B 559 27.563 -3.759 -10.949 1.00 0.00 C ATOM 594 NZ LYS B 559 27.088 -4.882 -11.803 1.00 0.00 N ATOM 0 H LYS B 559 29.077 -0.664 -9.374 1.00 0.00 H new ATOM 0 HA LYS B 559 27.128 -0.213 -7.474 1.00 0.00 H new ATOM 0 HB2 LYS B 559 26.822 -2.716 -7.588 1.00 0.00 H new ATOM 0 HB3 LYS B 559 26.847 -1.909 -9.143 1.00 0.00 H new ATOM 0 HG2 LYS B 559 29.306 -2.530 -9.324 1.00 0.00 H new ATOM 0 HG3 LYS B 559 29.102 -3.500 -7.878 1.00 0.00 H new ATOM 0 HD2 LYS B 559 28.821 -4.994 -9.724 1.00 0.00 H new ATOM 0 HD3 LYS B 559 27.219 -4.730 -9.065 1.00 0.00 H new ATOM 0 HE2 LYS B 559 26.756 -3.039 -10.814 1.00 0.00 H new ATOM 0 HE3 LYS B 559 28.375 -3.236 -11.455 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 26.882 -4.528 -12.759 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 27.825 -5.614 -11.856 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 26.224 -5.290 -11.391 1.00 0.00 H new ATOM 608 N GLN B 560 29.746 -1.809 -6.241 1.00 0.00 N ATOM 609 CA GLN B 560 30.414 -2.174 -4.997 1.00 0.00 C ATOM 610 C GLN B 560 30.657 -0.944 -4.128 1.00 0.00 C ATOM 611 O GLN B 560 30.524 -1.000 -2.906 1.00 0.00 O ATOM 612 CB GLN B 560 31.742 -2.873 -5.293 1.00 0.00 C ATOM 613 CG GLN B 560 31.637 -3.951 -6.361 1.00 0.00 C ATOM 614 CD GLN B 560 32.720 -5.004 -6.236 1.00 0.00 C ATOM 615 OE1 GLN B 560 33.749 -4.935 -6.909 1.00 0.00 O ATOM 616 NE2 GLN B 560 32.495 -5.986 -5.371 1.00 0.00 N ATOM 0 H GLN B 560 30.271 -2.038 -7.085 1.00 0.00 H new ATOM 0 HA GLN B 560 29.764 -2.859 -4.453 1.00 0.00 H new ATOM 0 HB2 GLN B 560 32.472 -2.129 -5.610 1.00 0.00 H new ATOM 0 HB3 GLN B 560 32.121 -3.320 -4.374 1.00 0.00 H new ATOM 0 HG2 GLN B 560 30.660 -4.430 -6.293 1.00 0.00 H new ATOM 0 HG3 GLN B 560 31.698 -3.488 -7.346 1.00 0.00 H new ATOM 0 HE21 GLN B 560 31.628 -6.004 -4.834 1.00 0.00 H new ATOM 0 HE22 GLN B 560 33.189 -6.722 -5.244 1.00 0.00 H new ATOM 625 N MET B 561 31.014 0.165 -4.768 1.00 0.00 N ATOM 626 CA MET B 561 31.274 1.409 -4.053 1.00 0.00 C ATOM 627 C MET B 561 30.016 1.903 -3.346 1.00 0.00 C ATOM 628 O MET B 561 29.994 2.045 -2.123 1.00 0.00 O ATOM 629 CB MET B 561 31.785 2.480 -5.018 1.00 0.00 C ATOM 630 CG MET B 561 33.050 2.076 -5.759 1.00 0.00 C ATOM 631 SD MET B 561 34.204 3.447 -5.961 1.00 0.00 S ATOM 632 CE MET B 561 33.546 4.229 -7.432 1.00 0.00 C ATOM 0 H MET B 561 31.130 0.227 -5.779 1.00 0.00 H new ATOM 0 HA MET B 561 32.039 1.214 -3.301 1.00 0.00 H new ATOM 0 HB2 MET B 561 31.004 2.705 -5.745 1.00 0.00 H new ATOM 0 HB3 MET B 561 31.977 3.397 -4.461 1.00 0.00 H new ATOM 0 HG2 MET B 561 33.542 1.269 -5.217 1.00 0.00 H new ATOM 0 HG3 MET B 561 32.782 1.684 -6.740 1.00 0.00 H new ATOM 0 HE1 MET B 561 34.154 5.097 -7.686 1.00 0.00 H new ATOM 0 HE2 MET B 561 33.563 3.520 -8.260 1.00 0.00 H new ATOM 0 HE3 MET B 561 32.520 4.547 -7.247 1.00 0.00 H new ATOM 642 N LEU B 562 28.971 2.165 -4.123 1.00 0.00 N ATOM 643 CA LEU B 562 27.708 2.644 -3.571 1.00 0.00 C ATOM 644 C LEU B 562 27.235 1.745 -2.433 1.00 0.00 C ATOM 645 O LEU B 562 26.889 2.223 -1.354 1.00 0.00 O ATOM 646 CB LEU B 562 26.641 2.705 -4.665 1.00 0.00 C ATOM 647 CG LEU B 562 26.801 3.822 -5.697 1.00 0.00 C ATOM 648 CD1 LEU B 562 25.828 3.628 -6.849 1.00 0.00 C ATOM 649 CD2 LEU B 562 26.596 5.182 -5.046 1.00 0.00 C ATOM 0 H LEU B 562 28.973 2.054 -5.137 1.00 0.00 H new ATOM 0 HA LEU B 562 27.870 3.646 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU B 562 26.633 1.750 -5.191 1.00 0.00 H new ATOM 0 HB3 LEU B 562 25.667 2.814 -4.189 1.00 0.00 H new ATOM 0 HG LEU B 562 27.815 3.781 -6.095 1.00 0.00 H new ATOM 0 HD11 LEU B 562 25.957 4.432 -7.573 1.00 0.00 H new ATOM 0 HD12 LEU B 562 26.022 2.670 -7.332 1.00 0.00 H new ATOM 0 HD13 LEU B 562 24.807 3.642 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU B 562 26.714 5.965 -5.795 1.00 0.00 H new ATOM 0 HD22 LEU B 562 25.594 5.234 -4.620 1.00 0.00 H new ATOM 0 HD23 LEU B 562 27.334 5.322 -4.256 1.00 0.00 H new ATOM 661 N GLY B 563 27.226 0.439 -2.682 1.00 0.00 N ATOM 662 CA GLY B 563 26.796 -0.507 -1.669 1.00 0.00 C ATOM 663 C GLY B 563 27.714 -0.521 -0.463 1.00 0.00 C ATOM 664 O GLY B 563 27.257 -0.666 0.671 1.00 0.00 O ATOM 0 H GLY B 563 27.509 0.019 -3.568 1.00 0.00 H new ATOM 0 HA2 GLY B 563 25.784 -0.257 -1.349 1.00 0.00 H new ATOM 0 HA3 GLY B 563 26.756 -1.506 -2.103 1.00 0.00 H new ATOM 668 N GLU B 564 29.012 -0.372 -0.707 1.00 0.00 N ATOM 669 CA GLU B 564 29.996 -0.372 0.369 1.00 0.00 C ATOM 670 C GLU B 564 29.721 0.757 1.357 1.00 0.00 C ATOM 671 O GLU B 564 29.759 0.557 2.571 1.00 0.00 O ATOM 672 CB GLU B 564 31.409 -0.232 -0.202 1.00 0.00 C ATOM 673 CG GLU B 564 32.132 -1.557 -0.369 1.00 0.00 C ATOM 674 CD GLU B 564 33.622 -1.445 -0.110 1.00 0.00 C ATOM 675 OE1 GLU B 564 34.247 -0.505 -0.643 1.00 0.00 O ATOM 676 OE2 GLU B 564 34.163 -2.298 0.625 1.00 0.00 O ATOM 0 H GLU B 564 29.406 -0.250 -1.640 1.00 0.00 H new ATOM 0 HA GLU B 564 29.918 -1.322 0.898 1.00 0.00 H new ATOM 0 HB2 GLU B 564 31.353 0.266 -1.170 1.00 0.00 H new ATOM 0 HB3 GLU B 564 31.995 0.412 0.454 1.00 0.00 H new ATOM 0 HG2 GLU B 564 31.702 -2.290 0.314 1.00 0.00 H new ATOM 0 HG3 GLU B 564 31.970 -1.930 -1.380 1.00 0.00 H new ATOM 683 N ARG B 565 29.445 1.945 0.828 1.00 0.00 N ATOM 684 CA ARG B 565 29.165 3.107 1.663 1.00 0.00 C ATOM 685 C ARG B 565 27.758 3.030 2.248 1.00 0.00 C ATOM 686 O ARG B 565 27.501 3.530 3.344 1.00 0.00 O ATOM 687 CB ARG B 565 29.322 4.394 0.851 1.00 0.00 C ATOM 688 CG ARG B 565 30.674 4.523 0.169 1.00 0.00 C ATOM 689 CD ARG B 565 31.575 5.507 0.898 1.00 0.00 C ATOM 690 NE ARG B 565 32.289 4.878 2.005 1.00 0.00 N ATOM 691 CZ ARG B 565 33.207 5.501 2.736 1.00 0.00 C ATOM 692 NH1 ARG B 565 33.520 6.763 2.478 1.00 0.00 N ATOM 693 NH2 ARG B 565 33.814 4.861 3.727 1.00 0.00 N ATOM 0 H ARG B 565 29.409 2.128 -0.175 1.00 0.00 H new ATOM 0 HA ARG B 565 29.881 3.114 2.485 1.00 0.00 H new ATOM 0 HB2 ARG B 565 28.538 4.434 0.095 1.00 0.00 H new ATOM 0 HB3 ARG B 565 29.174 5.250 1.510 1.00 0.00 H new ATOM 0 HG2 ARG B 565 31.157 3.547 0.129 1.00 0.00 H new ATOM 0 HG3 ARG B 565 30.533 4.851 -0.861 1.00 0.00 H new ATOM 0 HD2 ARG B 565 32.294 5.929 0.196 1.00 0.00 H new ATOM 0 HD3 ARG B 565 30.976 6.335 1.277 1.00 0.00 H new ATOM 0 HE ARG B 565 32.071 3.907 2.230 1.00 0.00 H new ATOM 0 HH11 ARG B 565 33.056 7.258 1.717 1.00 0.00 H new ATOM 0 HH12 ARG B 565 34.225 7.239 3.041 1.00 0.00 H new ATOM 0 HH21 ARG B 565 33.576 3.890 3.928 1.00 0.00 H new ATOM 0 HH22 ARG B 565 34.519 5.340 4.288 1.00 0.00 H new ATOM 707 N LEU B 566 26.849 2.402 1.509 1.00 0.00 N ATOM 708 CA LEU B 566 25.467 2.259 1.954 1.00 0.00 C ATOM 709 C LEU B 566 25.350 1.188 3.033 1.00 0.00 C ATOM 710 O LEU B 566 24.404 1.186 3.821 1.00 0.00 O ATOM 711 CB LEU B 566 24.564 1.909 0.771 1.00 0.00 C ATOM 712 CG LEU B 566 24.315 3.029 -0.239 1.00 0.00 C ATOM 713 CD1 LEU B 566 24.003 2.452 -1.611 1.00 0.00 C ATOM 714 CD2 LEU B 566 23.184 3.931 0.232 1.00 0.00 C ATOM 0 H LEU B 566 27.044 1.984 0.599 1.00 0.00 H new ATOM 0 HA LEU B 566 25.147 3.211 2.378 1.00 0.00 H new ATOM 0 HB2 LEU B 566 25.003 1.062 0.243 1.00 0.00 H new ATOM 0 HB3 LEU B 566 23.601 1.578 1.160 1.00 0.00 H new ATOM 0 HG LEU B 566 25.222 3.628 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU B 566 23.829 3.265 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU B 566 24.845 1.849 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU B 566 23.112 1.828 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU B 566 23.021 4.722 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU B 566 22.272 3.344 0.341 1.00 0.00 H new ATOM 0 HD23 LEU B 566 23.448 4.374 1.193 1.00 0.00 H new ATOM 726 N PHE B 567 26.318 0.278 3.064 1.00 0.00 N ATOM 727 CA PHE B 567 26.325 -0.798 4.048 1.00 0.00 C ATOM 728 C PHE B 567 26.219 -0.242 5.465 1.00 0.00 C ATOM 729 O PHE B 567 25.304 -0.569 6.221 1.00 0.00 O ATOM 730 CB PHE B 567 27.598 -1.636 3.910 1.00 0.00 C ATOM 731 CG PHE B 567 28.010 -2.314 5.186 1.00 0.00 C ATOM 732 CD1 PHE B 567 27.127 -3.139 5.864 1.00 0.00 C ATOM 733 CD2 PHE B 567 29.280 -2.127 5.706 1.00 0.00 C ATOM 734 CE1 PHE B 567 27.502 -3.765 7.037 1.00 0.00 C ATOM 735 CE2 PHE B 567 29.662 -2.751 6.879 1.00 0.00 C ATOM 736 CZ PHE B 567 28.771 -3.570 7.546 1.00 0.00 C ATOM 0 H PHE B 567 27.108 0.264 2.419 1.00 0.00 H new ATOM 0 HA PHE B 567 25.459 -1.432 3.861 1.00 0.00 H new ATOM 0 HB2 PHE B 567 27.444 -2.392 3.140 1.00 0.00 H new ATOM 0 HB3 PHE B 567 28.411 -0.994 3.570 1.00 0.00 H new ATOM 0 HD1 PHE B 567 26.133 -3.295 5.471 1.00 0.00 H new ATOM 0 HD2 PHE B 567 29.980 -1.487 5.189 1.00 0.00 H new ATOM 0 HE1 PHE B 567 26.804 -4.406 7.555 1.00 0.00 H new ATOM 0 HE2 PHE B 567 30.656 -2.599 7.274 1.00 0.00 H new ATOM 0 HZ PHE B 567 29.066 -4.057 8.464 1.00 0.00 H new ATOM 746 N PRO B 568 27.178 0.620 5.834 1.00 0.00 N ATOM 747 CA PRO B 568 27.216 1.241 7.161 1.00 0.00 C ATOM 748 C PRO B 568 26.093 2.254 7.360 1.00 0.00 C ATOM 749 O PRO B 568 25.590 2.429 8.471 1.00 0.00 O ATOM 750 CB PRO B 568 28.577 1.941 7.187 1.00 0.00 C ATOM 751 CG PRO B 568 28.897 2.200 5.755 1.00 0.00 C ATOM 752 CD PRO B 568 28.299 1.056 4.984 1.00 0.00 C ATOM 0 HA PRO B 568 27.083 0.508 7.957 1.00 0.00 H new ATOM 0 HB2 PRO B 568 28.534 2.869 7.757 1.00 0.00 H new ATOM 0 HB3 PRO B 568 29.336 1.314 7.655 1.00 0.00 H new ATOM 0 HG2 PRO B 568 28.479 3.152 5.428 1.00 0.00 H new ATOM 0 HG3 PRO B 568 29.974 2.255 5.600 1.00 0.00 H new ATOM 0 HD2 PRO B 568 27.957 1.371 3.998 1.00 0.00 H new ATOM 0 HD3 PRO B 568 29.021 0.255 4.829 1.00 0.00 H new ATOM 760 N LEU B 569 25.703 2.917 6.277 1.00 0.00 N ATOM 761 CA LEU B 569 24.637 3.913 6.333 1.00 0.00 C ATOM 762 C LEU B 569 23.335 3.290 6.826 1.00 0.00 C ATOM 763 O LEU B 569 22.747 3.751 7.805 1.00 0.00 O ATOM 764 CB LEU B 569 24.426 4.539 4.953 1.00 0.00 C ATOM 765 CG LEU B 569 25.419 5.631 4.552 1.00 0.00 C ATOM 766 CD1 LEU B 569 25.118 6.138 3.151 1.00 0.00 C ATOM 767 CD2 LEU B 569 25.386 6.776 5.554 1.00 0.00 C ATOM 0 H LEU B 569 26.108 2.784 5.350 1.00 0.00 H new ATOM 0 HA LEU B 569 24.935 4.690 7.037 1.00 0.00 H new ATOM 0 HB2 LEU B 569 24.468 3.746 4.206 1.00 0.00 H new ATOM 0 HB3 LEU B 569 23.421 4.959 4.916 1.00 0.00 H new ATOM 0 HG LEU B 569 26.421 5.202 4.553 1.00 0.00 H new ATOM 0 HD11 LEU B 569 25.835 6.914 2.883 1.00 0.00 H new ATOM 0 HD12 LEU B 569 25.194 5.314 2.442 1.00 0.00 H new ATOM 0 HD13 LEU B 569 24.109 6.550 3.122 1.00 0.00 H new ATOM 0 HD21 LEU B 569 26.099 7.544 5.253 1.00 0.00 H new ATOM 0 HD22 LEU B 569 24.384 7.203 5.585 1.00 0.00 H new ATOM 0 HD23 LEU B 569 25.652 6.402 6.543 1.00 0.00 H new ATOM 779 N ILE B 570 22.892 2.240 6.143 1.00 0.00 N ATOM 780 CA ILE B 570 21.662 1.552 6.514 1.00 0.00 C ATOM 781 C ILE B 570 21.870 0.681 7.748 1.00 0.00 C ATOM 782 O ILE B 570 20.912 0.313 8.428 1.00 0.00 O ATOM 783 CB ILE B 570 21.138 0.674 5.362 1.00 0.00 C ATOM 784 CG1 ILE B 570 20.927 1.519 4.104 1.00 0.00 C ATOM 785 CG2 ILE B 570 19.843 -0.014 5.768 1.00 0.00 C ATOM 786 CD1 ILE B 570 21.341 0.817 2.829 1.00 0.00 C ATOM 0 H ILE B 570 23.366 1.847 5.330 1.00 0.00 H new ATOM 0 HA ILE B 570 20.924 2.323 6.737 1.00 0.00 H new ATOM 0 HB ILE B 570 21.881 -0.093 5.142 1.00 0.00 H new ATOM 0 HG12 ILE B 570 19.875 1.794 4.033 1.00 0.00 H new ATOM 0 HG13 ILE B 570 21.493 2.446 4.199 1.00 0.00 H new ATOM 0 HG21 ILE B 570 19.485 -0.631 4.944 1.00 0.00 H new ATOM 0 HG22 ILE B 570 20.023 -0.643 6.640 1.00 0.00 H new ATOM 0 HG23 ILE B 570 19.092 0.738 6.011 1.00 0.00 H new ATOM 0 HD11 ILE B 570 21.164 1.474 1.978 1.00 0.00 H new ATOM 0 HD12 ILE B 570 22.401 0.566 2.879 1.00 0.00 H new ATOM 0 HD13 ILE B 570 20.757 -0.096 2.710 1.00 0.00 H new ATOM 798 N GLN B 571 23.127 0.356 8.032 1.00 0.00 N ATOM 799 CA GLN B 571 23.461 -0.471 9.185 1.00 0.00 C ATOM 800 C GLN B 571 22.940 0.156 10.474 1.00 0.00 C ATOM 801 O GLN B 571 22.723 -0.535 11.469 1.00 0.00 O ATOM 802 CB GLN B 571 24.974 -0.671 9.276 1.00 0.00 C ATOM 803 CG GLN B 571 25.416 -1.422 10.521 1.00 0.00 C ATOM 804 CD GLN B 571 26.922 -1.438 10.690 1.00 0.00 C ATOM 805 OE1 GLN B 571 27.650 -0.794 9.934 1.00 0.00 O ATOM 806 NE2 GLN B 571 27.398 -2.176 11.686 1.00 0.00 N ATOM 0 H GLN B 571 23.931 0.653 7.479 1.00 0.00 H new ATOM 0 HA GLN B 571 22.982 -1.441 9.055 1.00 0.00 H new ATOM 0 HB2 GLN B 571 25.314 -1.215 8.394 1.00 0.00 H new ATOM 0 HB3 GLN B 571 25.462 0.303 9.257 1.00 0.00 H new ATOM 0 HG2 GLN B 571 24.961 -0.963 11.398 1.00 0.00 H new ATOM 0 HG3 GLN B 571 25.049 -2.447 10.472 1.00 0.00 H new ATOM 0 HE21 GLN B 571 26.758 -2.694 12.288 1.00 0.00 H new ATOM 0 HE22 GLN B 571 28.404 -2.225 11.849 1.00 0.00 H new ATOM 815 N ALA B 572 22.742 1.470 10.448 1.00 0.00 N ATOM 816 CA ALA B 572 22.246 2.190 11.614 1.00 0.00 C ATOM 817 C ALA B 572 20.744 1.990 11.785 1.00 0.00 C ATOM 818 O ALA B 572 20.185 2.284 12.841 1.00 0.00 O ATOM 819 CB ALA B 572 22.572 3.672 11.498 1.00 0.00 C ATOM 0 H ALA B 572 22.917 2.057 9.633 1.00 0.00 H new ATOM 0 HA ALA B 572 22.743 1.787 12.497 1.00 0.00 H new ATOM 0 HB1 ALA B 572 22.196 4.197 12.376 1.00 0.00 H new ATOM 0 HB2 ALA B 572 23.652 3.803 11.432 1.00 0.00 H new ATOM 0 HB3 ALA B 572 22.102 4.079 10.603 1.00 0.00 H new ATOM 825 N MET B 573 20.096 1.487 10.739 1.00 0.00 N ATOM 826 CA MET B 573 18.658 1.247 10.775 1.00 0.00 C ATOM 827 C MET B 573 18.358 -0.248 10.829 1.00 0.00 C ATOM 828 O MET B 573 17.702 -0.726 11.756 1.00 0.00 O ATOM 829 CB MET B 573 17.984 1.870 9.551 1.00 0.00 C ATOM 830 CG MET B 573 18.414 3.303 9.284 1.00 0.00 C ATOM 831 SD MET B 573 17.205 4.221 8.312 1.00 0.00 S ATOM 832 CE MET B 573 18.154 4.568 6.832 1.00 0.00 C ATOM 0 H MET B 573 20.544 1.238 9.857 1.00 0.00 H new ATOM 0 HA MET B 573 18.260 1.713 11.676 1.00 0.00 H new ATOM 0 HB2 MET B 573 18.209 1.263 8.674 1.00 0.00 H new ATOM 0 HB3 MET B 573 16.903 1.843 9.689 1.00 0.00 H new ATOM 0 HG2 MET B 573 18.574 3.813 10.234 1.00 0.00 H new ATOM 0 HG3 MET B 573 19.369 3.300 8.759 1.00 0.00 H new ATOM 0 HE1 MET B 573 17.540 5.133 6.130 1.00 0.00 H new ATOM 0 HE2 MET B 573 19.036 5.152 7.094 1.00 0.00 H new ATOM 0 HE3 MET B 573 18.463 3.630 6.370 1.00 0.00 H new ATOM 842 N HIS B 574 18.841 -0.981 9.831 1.00 0.00 N ATOM 843 CA HIS B 574 18.624 -2.422 9.767 1.00 0.00 C ATOM 844 C HIS B 574 19.929 -3.155 9.472 1.00 0.00 C ATOM 845 O HIS B 574 20.167 -3.626 8.359 1.00 0.00 O ATOM 846 CB HIS B 574 17.585 -2.755 8.695 1.00 0.00 C ATOM 847 CG HIS B 574 16.193 -2.346 9.064 1.00 0.00 C ATOM 848 ND1 HIS B 574 15.447 -1.457 8.318 1.00 0.00 N ATOM 849 CD2 HIS B 574 15.409 -2.710 10.105 1.00 0.00 C ATOM 850 CE1 HIS B 574 14.266 -1.291 8.886 1.00 0.00 C ATOM 851 NE2 HIS B 574 14.217 -2.041 9.972 1.00 0.00 N ATOM 0 H HIS B 574 19.385 -0.601 9.056 1.00 0.00 H new ATOM 0 HA HIS B 574 18.253 -2.753 10.737 1.00 0.00 H new ATOM 0 HB2 HIS B 574 17.865 -2.262 7.764 1.00 0.00 H new ATOM 0 HB3 HIS B 574 17.602 -3.828 8.505 1.00 0.00 H new ATOM 0 HD2 HIS B 574 15.672 -3.399 10.894 1.00 0.00 H new ATOM 0 HE1 HIS B 574 13.475 -0.651 8.524 1.00 0.00 H new ATOM 0 HE2 HIS B 574 13.423 -2.112 10.608 1.00 0.00 H new ATOM 859 N PRO B 575 20.796 -3.253 10.490 1.00 0.00 N ATOM 860 CA PRO B 575 22.092 -3.927 10.364 1.00 0.00 C ATOM 861 C PRO B 575 21.948 -5.438 10.212 1.00 0.00 C ATOM 862 O PRO B 575 22.902 -6.132 9.861 1.00 0.00 O ATOM 863 CB PRO B 575 22.798 -3.587 11.679 1.00 0.00 C ATOM 864 CG PRO B 575 21.695 -3.326 12.645 1.00 0.00 C ATOM 865 CD PRO B 575 20.579 -2.715 11.843 1.00 0.00 C ATOM 0 HA PRO B 575 22.635 -3.603 9.476 1.00 0.00 H new ATOM 0 HB2 PRO B 575 23.430 -4.410 12.013 1.00 0.00 H new ATOM 0 HB3 PRO B 575 23.442 -2.715 11.568 1.00 0.00 H new ATOM 0 HG2 PRO B 575 21.370 -4.249 13.126 1.00 0.00 H new ATOM 0 HG3 PRO B 575 22.021 -2.652 13.437 1.00 0.00 H new ATOM 0 HD2 PRO B 575 19.602 -2.996 12.235 1.00 0.00 H new ATOM 0 HD3 PRO B 575 20.626 -1.626 11.855 1.00 0.00 H new ATOM 873 N THR B 576 20.747 -5.943 10.480 1.00 0.00 N ATOM 874 CA THR B 576 20.478 -7.371 10.373 1.00 0.00 C ATOM 875 C THR B 576 20.673 -7.863 8.944 1.00 0.00 C ATOM 876 O THR B 576 21.251 -8.926 8.716 1.00 0.00 O ATOM 877 CB THR B 576 19.045 -7.708 10.829 1.00 0.00 C ATOM 878 OG1 THR B 576 18.699 -6.925 11.976 1.00 0.00 O ATOM 879 CG2 THR B 576 18.917 -9.187 11.160 1.00 0.00 C ATOM 0 H THR B 576 19.946 -5.384 10.773 1.00 0.00 H new ATOM 0 HA THR B 576 21.189 -7.876 11.027 1.00 0.00 H new ATOM 0 HB THR B 576 18.363 -7.474 10.012 1.00 0.00 H new ATOM 0 HG1 THR B 576 17.786 -7.144 12.258 1.00 0.00 H new ATOM 0 HG21 THR B 576 17.897 -9.401 11.479 1.00 0.00 H new ATOM 0 HG22 THR B 576 19.152 -9.779 10.276 1.00 0.00 H new ATOM 0 HG23 THR B 576 19.610 -9.442 11.962 1.00 0.00 H new ATOM 887 N LEU B 577 20.189 -7.083 7.984 1.00 0.00 N ATOM 888 CA LEU B 577 20.312 -7.439 6.574 1.00 0.00 C ATOM 889 C LEU B 577 20.724 -6.230 5.741 1.00 0.00 C ATOM 890 O LEU B 577 20.298 -6.077 4.597 1.00 0.00 O ATOM 891 CB LEU B 577 18.989 -8.003 6.054 1.00 0.00 C ATOM 892 CG LEU B 577 18.181 -8.842 7.045 1.00 0.00 C ATOM 893 CD1 LEU B 577 17.162 -7.977 7.770 1.00 0.00 C ATOM 894 CD2 LEU B 577 17.491 -9.995 6.330 1.00 0.00 C ATOM 0 H LEU B 577 19.708 -6.200 8.156 1.00 0.00 H new ATOM 0 HA LEU B 577 21.086 -8.201 6.483 1.00 0.00 H new ATOM 0 HB2 LEU B 577 18.368 -7.171 5.722 1.00 0.00 H new ATOM 0 HB3 LEU B 577 19.198 -8.615 5.176 1.00 0.00 H new ATOM 0 HG LEU B 577 18.867 -9.257 7.784 1.00 0.00 H new ATOM 0 HD11 LEU B 577 16.596 -8.591 8.471 1.00 0.00 H new ATOM 0 HD12 LEU B 577 17.678 -7.186 8.315 1.00 0.00 H new ATOM 0 HD13 LEU B 577 16.480 -7.533 7.045 1.00 0.00 H new ATOM 0 HD21 LEU B 577 16.921 -10.581 7.051 1.00 0.00 H new ATOM 0 HD22 LEU B 577 16.817 -9.600 5.569 1.00 0.00 H new ATOM 0 HD23 LEU B 577 18.240 -10.630 5.857 1.00 0.00 H new ATOM 906 N ALA B 578 21.558 -5.373 6.323 1.00 0.00 N ATOM 907 CA ALA B 578 22.032 -4.180 5.633 1.00 0.00 C ATOM 908 C ALA B 578 22.566 -4.524 4.246 1.00 0.00 C ATOM 909 O ALA B 578 22.110 -3.978 3.242 1.00 0.00 O ATOM 910 CB ALA B 578 23.106 -3.486 6.457 1.00 0.00 C ATOM 0 H ALA B 578 21.919 -5.483 7.271 1.00 0.00 H new ATOM 0 HA ALA B 578 21.188 -3.501 5.511 1.00 0.00 H new ATOM 0 HB1 ALA B 578 23.451 -2.597 5.930 1.00 0.00 H new ATOM 0 HB2 ALA B 578 22.693 -3.198 7.424 1.00 0.00 H new ATOM 0 HB3 ALA B 578 23.944 -4.166 6.609 1.00 0.00 H new ATOM 916 N GLY B 579 23.536 -5.432 4.198 1.00 0.00 N ATOM 917 CA GLY B 579 24.116 -5.832 2.930 1.00 0.00 C ATOM 918 C GLY B 579 23.072 -6.305 1.938 1.00 0.00 C ATOM 919 O GLY B 579 23.132 -5.972 0.754 1.00 0.00 O ATOM 0 H GLY B 579 23.930 -5.898 5.015 1.00 0.00 H new ATOM 0 HA2 GLY B 579 24.664 -4.992 2.503 1.00 0.00 H new ATOM 0 HA3 GLY B 579 24.839 -6.630 3.100 1.00 0.00 H new ATOM 923 N LYS B 580 22.111 -7.086 2.420 1.00 0.00 N ATOM 924 CA LYS B 580 21.049 -7.608 1.569 1.00 0.00 C ATOM 925 C LYS B 580 20.276 -6.472 0.905 1.00 0.00 C ATOM 926 O LYS B 580 20.248 -6.362 -0.321 1.00 0.00 O ATOM 927 CB LYS B 580 20.093 -8.479 2.387 1.00 0.00 C ATOM 928 CG LYS B 580 18.969 -9.087 1.565 1.00 0.00 C ATOM 929 CD LYS B 580 19.506 -9.857 0.370 1.00 0.00 C ATOM 930 CE LYS B 580 20.440 -10.977 0.804 1.00 0.00 C ATOM 931 NZ LYS B 580 19.743 -11.983 1.653 1.00 0.00 N ATOM 0 H LYS B 580 22.046 -7.372 3.397 1.00 0.00 H new ATOM 0 HA LYS B 580 21.508 -8.216 0.790 1.00 0.00 H new ATOM 0 HB2 LYS B 580 20.660 -9.281 2.860 1.00 0.00 H new ATOM 0 HB3 LYS B 580 19.662 -7.878 3.188 1.00 0.00 H new ATOM 0 HG2 LYS B 580 18.377 -9.754 2.193 1.00 0.00 H new ATOM 0 HG3 LYS B 580 18.301 -8.298 1.220 1.00 0.00 H new ATOM 0 HD2 LYS B 580 18.675 -10.274 -0.199 1.00 0.00 H new ATOM 0 HD3 LYS B 580 20.037 -9.176 -0.295 1.00 0.00 H new ATOM 0 HE2 LYS B 580 20.852 -11.469 -0.077 1.00 0.00 H new ATOM 0 HE3 LYS B 580 21.280 -10.556 1.356 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 20.359 -12.810 1.788 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 19.521 -11.563 2.578 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 18.862 -12.280 1.187 1.00 0.00 H new ATOM 945 N ILE B 581 19.653 -5.630 1.722 1.00 0.00 N ATOM 946 CA ILE B 581 18.883 -4.502 1.214 1.00 0.00 C ATOM 947 C ILE B 581 19.774 -3.527 0.452 1.00 0.00 C ATOM 948 O ILE B 581 19.303 -2.770 -0.398 1.00 0.00 O ATOM 949 CB ILE B 581 18.171 -3.747 2.352 1.00 0.00 C ATOM 950 CG1 ILE B 581 19.185 -3.293 3.404 1.00 0.00 C ATOM 951 CG2 ILE B 581 17.102 -4.626 2.984 1.00 0.00 C ATOM 952 CD1 ILE B 581 18.552 -2.876 4.713 1.00 0.00 C ATOM 0 H ILE B 581 19.666 -5.708 2.739 1.00 0.00 H new ATOM 0 HA ILE B 581 18.134 -4.912 0.537 1.00 0.00 H new ATOM 0 HB ILE B 581 17.687 -2.864 1.935 1.00 0.00 H new ATOM 0 HG12 ILE B 581 19.889 -4.104 3.592 1.00 0.00 H new ATOM 0 HG13 ILE B 581 19.760 -2.457 3.006 1.00 0.00 H new ATOM 0 HG21 ILE B 581 16.608 -4.078 3.786 1.00 0.00 H new ATOM 0 HG22 ILE B 581 16.367 -4.905 2.229 1.00 0.00 H new ATOM 0 HG23 ILE B 581 17.564 -5.526 3.390 1.00 0.00 H new ATOM 0 HD11 ILE B 581 19.330 -2.567 5.411 1.00 0.00 H new ATOM 0 HD12 ILE B 581 17.869 -2.044 4.538 1.00 0.00 H new ATOM 0 HD13 ILE B 581 18.000 -3.716 5.134 1.00 0.00 H new ATOM 964 N THR B 582 21.067 -3.551 0.760 1.00 0.00 N ATOM 965 CA THR B 582 22.026 -2.671 0.104 1.00 0.00 C ATOM 966 C THR B 582 22.205 -3.047 -1.362 1.00 0.00 C ATOM 967 O THR B 582 22.163 -2.189 -2.243 1.00 0.00 O ATOM 968 CB THR B 582 23.397 -2.713 0.804 1.00 0.00 C ATOM 969 OG1 THR B 582 23.322 -2.046 2.069 1.00 0.00 O ATOM 970 CG2 THR B 582 24.465 -2.056 -0.058 1.00 0.00 C ATOM 0 H THR B 582 21.474 -4.171 1.460 1.00 0.00 H new ATOM 0 HA THR B 582 21.623 -1.660 0.170 1.00 0.00 H new ATOM 0 HB THR B 582 23.669 -3.757 0.959 1.00 0.00 H new ATOM 0 HG1 THR B 582 22.747 -2.558 2.675 1.00 0.00 H new ATOM 0 HG21 THR B 582 25.425 -2.098 0.457 1.00 0.00 H new ATOM 0 HG22 THR B 582 24.540 -2.583 -1.009 1.00 0.00 H new ATOM 0 HG23 THR B 582 24.196 -1.016 -0.240 1.00 0.00 H new ATOM 978 N GLY B 583 22.404 -4.337 -1.618 1.00 0.00 N ATOM 979 CA GLY B 583 22.585 -4.804 -2.979 1.00 0.00 C ATOM 980 C GLY B 583 21.405 -4.470 -3.869 1.00 0.00 C ATOM 981 O GLY B 583 21.580 -4.061 -5.017 1.00 0.00 O ATOM 0 H GLY B 583 22.443 -5.066 -0.906 1.00 0.00 H new ATOM 0 HA2 GLY B 583 23.488 -4.358 -3.396 1.00 0.00 H new ATOM 0 HA3 GLY B 583 22.737 -5.883 -2.972 1.00 0.00 H new ATOM 985 N MET B 584 20.198 -4.645 -3.340 1.00 0.00 N ATOM 986 CA MET B 584 18.984 -4.359 -4.096 1.00 0.00 C ATOM 987 C MET B 584 18.817 -2.858 -4.308 1.00 0.00 C ATOM 988 O MET B 584 18.561 -2.403 -5.424 1.00 0.00 O ATOM 989 CB MET B 584 17.761 -4.923 -3.369 1.00 0.00 C ATOM 990 CG MET B 584 17.882 -6.401 -3.033 1.00 0.00 C ATOM 991 SD MET B 584 17.342 -6.778 -1.355 1.00 0.00 S ATOM 992 CE MET B 584 15.566 -6.622 -1.528 1.00 0.00 C ATOM 0 H MET B 584 20.035 -4.983 -2.392 1.00 0.00 H new ATOM 0 HA MET B 584 19.071 -4.838 -5.071 1.00 0.00 H new ATOM 0 HB2 MET B 584 17.605 -4.361 -2.448 1.00 0.00 H new ATOM 0 HB3 MET B 584 16.878 -4.771 -3.989 1.00 0.00 H new ATOM 0 HG2 MET B 584 17.288 -6.980 -3.740 1.00 0.00 H new ATOM 0 HG3 MET B 584 18.919 -6.714 -3.156 1.00 0.00 H new ATOM 0 HE1 MET B 584 15.072 -7.266 -0.801 1.00 0.00 H new ATOM 0 HE2 MET B 584 15.273 -5.587 -1.354 1.00 0.00 H new ATOM 0 HE3 MET B 584 15.271 -6.918 -2.535 1.00 0.00 H new ATOM 1002 N LEU B 585 18.962 -2.093 -3.231 1.00 0.00 N ATOM 1003 CA LEU B 585 18.826 -0.642 -3.300 1.00 0.00 C ATOM 1004 C LEU B 585 19.788 -0.054 -4.327 1.00 0.00 C ATOM 1005 O LEU B 585 19.371 0.628 -5.264 1.00 0.00 O ATOM 1006 CB LEU B 585 19.086 -0.021 -1.926 1.00 0.00 C ATOM 1007 CG LEU B 585 17.846 0.320 -1.099 1.00 0.00 C ATOM 1008 CD1 LEU B 585 16.944 1.280 -1.859 1.00 0.00 C ATOM 1009 CD2 LEU B 585 17.088 -0.946 -0.727 1.00 0.00 C ATOM 0 H LEU B 585 19.174 -2.453 -2.300 1.00 0.00 H new ATOM 0 HA LEU B 585 17.807 -0.410 -3.610 1.00 0.00 H new ATOM 0 HB2 LEU B 585 19.705 -0.709 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU B 585 19.667 0.890 -2.065 1.00 0.00 H new ATOM 0 HG LEU B 585 18.169 0.809 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU B 585 16.067 1.511 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU B 585 17.489 2.199 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU B 585 16.628 0.819 -2.795 1.00 0.00 H new ATOM 0 HD21 LEU B 585 16.209 -0.684 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU B 585 16.777 -1.463 -1.634 1.00 0.00 H new ATOM 0 HD23 LEU B 585 17.735 -1.599 -0.141 1.00 0.00 H new ATOM 1021 N LEU B 586 21.076 -0.323 -4.146 1.00 0.00 N ATOM 1022 CA LEU B 586 22.098 0.179 -5.058 1.00 0.00 C ATOM 1023 C LEU B 586 21.875 -0.353 -6.470 1.00 0.00 C ATOM 1024 O LEU B 586 22.297 0.263 -7.449 1.00 0.00 O ATOM 1025 CB LEU B 586 23.490 -0.220 -4.565 1.00 0.00 C ATOM 1026 CG LEU B 586 23.950 -1.633 -4.924 1.00 0.00 C ATOM 1027 CD1 LEU B 586 24.672 -1.635 -6.263 1.00 0.00 C ATOM 1028 CD2 LEU B 586 24.848 -2.196 -3.832 1.00 0.00 C ATOM 0 H LEU B 586 21.438 -0.886 -3.376 1.00 0.00 H new ATOM 0 HA LEU B 586 22.026 1.266 -5.083 1.00 0.00 H new ATOM 0 HB2 LEU B 586 24.213 0.489 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU B 586 23.513 -0.117 -3.480 1.00 0.00 H new ATOM 0 HG LEU B 586 23.070 -2.270 -5.007 1.00 0.00 H new ATOM 0 HD11 LEU B 586 24.992 -2.649 -6.502 1.00 0.00 H new ATOM 0 HD12 LEU B 586 23.998 -1.274 -7.040 1.00 0.00 H new ATOM 0 HD13 LEU B 586 25.544 -0.983 -6.207 1.00 0.00 H new ATOM 0 HD21 LEU B 586 25.166 -3.202 -4.105 1.00 0.00 H new ATOM 0 HD22 LEU B 586 25.724 -1.558 -3.716 1.00 0.00 H new ATOM 0 HD23 LEU B 586 24.298 -2.232 -2.891 1.00 0.00 H new ATOM 1040 N GLU B 587 21.208 -1.498 -6.568 1.00 0.00 N ATOM 1041 CA GLU B 587 20.928 -2.111 -7.861 1.00 0.00 C ATOM 1042 C GLU B 587 19.793 -1.381 -8.574 1.00 0.00 C ATOM 1043 O GLU B 587 19.635 -1.496 -9.790 1.00 0.00 O ATOM 1044 CB GLU B 587 20.568 -3.587 -7.683 1.00 0.00 C ATOM 1045 CG GLU B 587 20.111 -4.261 -8.967 1.00 0.00 C ATOM 1046 CD GLU B 587 21.079 -4.048 -10.114 1.00 0.00 C ATOM 1047 OE1 GLU B 587 22.304 -4.067 -9.869 1.00 0.00 O ATOM 1048 OE2 GLU B 587 20.612 -3.862 -11.257 1.00 0.00 O ATOM 0 H GLU B 587 20.851 -2.020 -5.768 1.00 0.00 H new ATOM 0 HA GLU B 587 21.827 -2.035 -8.473 1.00 0.00 H new ATOM 0 HB2 GLU B 587 21.435 -4.119 -7.292 1.00 0.00 H new ATOM 0 HB3 GLU B 587 19.778 -3.672 -6.937 1.00 0.00 H new ATOM 0 HG2 GLU B 587 19.993 -5.330 -8.790 1.00 0.00 H new ATOM 0 HG3 GLU B 587 19.131 -3.874 -9.247 1.00 0.00 H new ATOM 1055 N ILE B 588 19.006 -0.632 -7.809 1.00 0.00 N ATOM 1056 CA ILE B 588 17.887 0.116 -8.368 1.00 0.00 C ATOM 1057 C ILE B 588 18.322 0.933 -9.580 1.00 0.00 C ATOM 1058 O ILE B 588 17.837 0.719 -10.691 1.00 0.00 O ATOM 1059 CB ILE B 588 17.264 1.061 -7.323 1.00 0.00 C ATOM 1060 CG1 ILE B 588 16.660 0.255 -6.171 1.00 0.00 C ATOM 1061 CG2 ILE B 588 16.208 1.944 -7.970 1.00 0.00 C ATOM 1062 CD1 ILE B 588 16.237 1.107 -4.995 1.00 0.00 C ATOM 0 H ILE B 588 19.123 -0.527 -6.801 1.00 0.00 H new ATOM 0 HA ILE B 588 17.140 -0.616 -8.676 1.00 0.00 H new ATOM 0 HB ILE B 588 18.048 1.702 -6.921 1.00 0.00 H new ATOM 0 HG12 ILE B 588 15.795 -0.297 -6.539 1.00 0.00 H new ATOM 0 HG13 ILE B 588 17.389 -0.482 -5.832 1.00 0.00 H new ATOM 0 HG21 ILE B 588 15.777 2.606 -7.219 1.00 0.00 H new ATOM 0 HG22 ILE B 588 16.666 2.540 -8.759 1.00 0.00 H new ATOM 0 HG23 ILE B 588 15.423 1.319 -8.396 1.00 0.00 H new ATOM 0 HD11 ILE B 588 15.818 0.470 -4.216 1.00 0.00 H new ATOM 0 HD12 ILE B 588 17.103 1.640 -4.601 1.00 0.00 H new ATOM 0 HD13 ILE B 588 15.485 1.826 -5.319 1.00 0.00 H new ATOM 1074 N ASP B 589 19.239 1.867 -9.358 1.00 0.00 N ATOM 1075 CA ASP B 589 19.743 2.715 -10.433 1.00 0.00 C ATOM 1076 C ASP B 589 20.725 3.750 -9.894 1.00 0.00 C ATOM 1077 O ASP B 589 20.412 4.492 -8.964 1.00 0.00 O ATOM 1078 CB ASP B 589 18.584 3.415 -11.144 1.00 0.00 C ATOM 1079 CG ASP B 589 18.464 3.004 -12.599 1.00 0.00 C ATOM 1080 OD1 ASP B 589 19.345 3.386 -13.398 1.00 0.00 O ATOM 1081 OD2 ASP B 589 17.490 2.300 -12.938 1.00 0.00 O ATOM 0 H ASP B 589 19.649 2.057 -8.444 1.00 0.00 H new ATOM 0 HA ASP B 589 20.268 2.081 -11.147 1.00 0.00 H new ATOM 0 HB2 ASP B 589 17.652 3.185 -10.627 1.00 0.00 H new ATOM 0 HB3 ASP B 589 18.724 4.494 -11.085 1.00 0.00 H new ATOM 1086 N ASN B 590 21.915 3.793 -10.484 1.00 0.00 N ATOM 1087 CA ASN B 590 22.944 4.736 -10.062 1.00 0.00 C ATOM 1088 C ASN B 590 22.516 6.172 -10.349 1.00 0.00 C ATOM 1089 O ASN B 590 22.910 7.101 -9.643 1.00 0.00 O ATOM 1090 CB ASN B 590 24.265 4.434 -10.773 1.00 0.00 C ATOM 1091 CG ASN B 590 24.837 3.085 -10.381 1.00 0.00 C ATOM 1092 OD1 ASN B 590 24.098 2.157 -10.054 1.00 0.00 O ATOM 1093 ND2 ASN B 590 26.159 2.972 -10.414 1.00 0.00 N ATOM 0 H ASN B 590 22.191 3.186 -11.256 1.00 0.00 H new ATOM 0 HA ASN B 590 23.084 4.625 -8.987 1.00 0.00 H new ATOM 0 HB2 ASN B 590 24.108 4.460 -11.851 1.00 0.00 H new ATOM 0 HB3 ASN B 590 24.988 5.215 -10.537 1.00 0.00 H new ATOM 0 HD21 ASN B 590 26.602 2.088 -10.162 1.00 0.00 H new ATOM 0 HD22 ASN B 590 26.732 3.769 -10.692 1.00 0.00 H new ATOM 1100 N SER B 591 21.708 6.347 -11.389 1.00 0.00 N ATOM 1101 CA SER B 591 21.229 7.670 -11.772 1.00 0.00 C ATOM 1102 C SER B 591 20.398 8.291 -10.653 1.00 0.00 C ATOM 1103 O SER B 591 20.586 9.455 -10.301 1.00 0.00 O ATOM 1104 CB SER B 591 20.396 7.583 -13.053 1.00 0.00 C ATOM 1105 OG SER B 591 19.359 8.549 -13.053 1.00 0.00 O ATOM 0 H SER B 591 21.371 5.589 -11.982 1.00 0.00 H new ATOM 0 HA SER B 591 22.096 8.305 -11.953 1.00 0.00 H new ATOM 0 HB2 SER B 591 21.039 7.735 -13.920 1.00 0.00 H new ATOM 0 HB3 SER B 591 19.968 6.585 -13.145 1.00 0.00 H new ATOM 0 HG SER B 591 18.842 8.474 -13.882 1.00 0.00 H new ATOM 1111 N GLU B 592 19.480 7.505 -10.099 1.00 0.00 N ATOM 1112 CA GLU B 592 18.621 7.979 -9.021 1.00 0.00 C ATOM 1113 C GLU B 592 19.374 8.001 -7.694 1.00 0.00 C ATOM 1114 O GLU B 592 19.247 8.943 -6.910 1.00 0.00 O ATOM 1115 CB GLU B 592 17.380 7.091 -8.901 1.00 0.00 C ATOM 1116 CG GLU B 592 16.482 7.131 -10.126 1.00 0.00 C ATOM 1117 CD GLU B 592 15.544 8.322 -10.123 1.00 0.00 C ATOM 1118 OE1 GLU B 592 14.877 8.551 -9.092 1.00 0.00 O ATOM 1119 OE2 GLU B 592 15.477 9.026 -11.153 1.00 0.00 O ATOM 0 H GLU B 592 19.312 6.539 -10.379 1.00 0.00 H new ATOM 0 HA GLU B 592 18.310 8.996 -9.259 1.00 0.00 H new ATOM 0 HB2 GLU B 592 17.695 6.062 -8.725 1.00 0.00 H new ATOM 0 HB3 GLU B 592 16.805 7.401 -8.029 1.00 0.00 H new ATOM 0 HG2 GLU B 592 17.100 7.162 -11.024 1.00 0.00 H new ATOM 0 HG3 GLU B 592 15.897 6.213 -10.173 1.00 0.00 H new ATOM 1126 N LEU B 593 20.158 6.957 -7.448 1.00 0.00 N ATOM 1127 CA LEU B 593 20.932 6.855 -6.216 1.00 0.00 C ATOM 1128 C LEU B 593 21.798 8.094 -6.013 1.00 0.00 C ATOM 1129 O LEU B 593 21.853 8.653 -4.917 1.00 0.00 O ATOM 1130 CB LEU B 593 21.811 5.603 -6.245 1.00 0.00 C ATOM 1131 CG LEU B 593 21.077 4.265 -6.153 1.00 0.00 C ATOM 1132 CD1 LEU B 593 21.903 3.158 -6.788 1.00 0.00 C ATOM 1133 CD2 LEU B 593 20.758 3.930 -4.703 1.00 0.00 C ATOM 0 H LEU B 593 20.274 6.169 -8.085 1.00 0.00 H new ATOM 0 HA LEU B 593 20.234 6.782 -5.382 1.00 0.00 H new ATOM 0 HB2 LEU B 593 22.392 5.613 -7.167 1.00 0.00 H new ATOM 0 HB3 LEU B 593 22.521 5.663 -5.420 1.00 0.00 H new ATOM 0 HG LEU B 593 20.138 4.349 -6.701 1.00 0.00 H new ATOM 0 HD11 LEU B 593 21.364 2.213 -6.713 1.00 0.00 H new ATOM 0 HD12 LEU B 593 22.080 3.392 -7.838 1.00 0.00 H new ATOM 0 HD13 LEU B 593 22.858 3.073 -6.269 1.00 0.00 H new ATOM 0 HD21 LEU B 593 20.236 2.974 -4.657 1.00 0.00 H new ATOM 0 HD22 LEU B 593 21.684 3.865 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU B 593 20.125 4.710 -4.280 1.00 0.00 H new ATOM 1145 N LEU B 594 22.472 8.518 -7.076 1.00 0.00 N ATOM 1146 CA LEU B 594 23.335 9.693 -7.016 1.00 0.00 C ATOM 1147 C LEU B 594 22.601 10.876 -6.391 1.00 0.00 C ATOM 1148 O LEU B 594 23.206 11.706 -5.712 1.00 0.00 O ATOM 1149 CB LEU B 594 23.823 10.065 -8.417 1.00 0.00 C ATOM 1150 CG LEU B 594 25.252 9.646 -8.763 1.00 0.00 C ATOM 1151 CD1 LEU B 594 25.600 10.057 -10.185 1.00 0.00 C ATOM 1152 CD2 LEU B 594 26.239 10.250 -7.775 1.00 0.00 C ATOM 0 H LEU B 594 22.438 8.066 -7.990 1.00 0.00 H new ATOM 0 HA LEU B 594 24.194 9.450 -6.391 1.00 0.00 H new ATOM 0 HB2 LEU B 594 23.148 9.617 -9.146 1.00 0.00 H new ATOM 0 HB3 LEU B 594 23.745 11.146 -8.532 1.00 0.00 H new ATOM 0 HG LEU B 594 25.318 8.560 -8.694 1.00 0.00 H new ATOM 0 HD11 LEU B 594 26.621 9.750 -10.413 1.00 0.00 H new ATOM 0 HD12 LEU B 594 24.913 9.576 -10.881 1.00 0.00 H new ATOM 0 HD13 LEU B 594 25.516 11.139 -10.282 1.00 0.00 H new ATOM 0 HD21 LEU B 594 27.251 9.941 -8.037 1.00 0.00 H new ATOM 0 HD22 LEU B 594 26.171 11.337 -7.811 1.00 0.00 H new ATOM 0 HD23 LEU B 594 26.003 9.905 -6.768 1.00 0.00 H new ATOM 1164 N HIS B 595 21.294 10.944 -6.623 1.00 0.00 N ATOM 1165 CA HIS B 595 20.477 12.024 -6.080 1.00 0.00 C ATOM 1166 C HIS B 595 19.887 11.632 -4.728 1.00 0.00 C ATOM 1167 O HIS B 595 19.575 12.491 -3.904 1.00 0.00 O ATOM 1168 CB HIS B 595 19.355 12.382 -7.055 1.00 0.00 C ATOM 1169 CG HIS B 595 18.817 13.767 -6.866 1.00 0.00 C ATOM 1170 ND1 HIS B 595 17.677 14.040 -6.141 1.00 0.00 N ATOM 1171 CD2 HIS B 595 19.272 14.962 -7.313 1.00 0.00 C ATOM 1172 CE1 HIS B 595 17.452 15.342 -6.151 1.00 0.00 C ATOM 1173 NE2 HIS B 595 18.407 15.924 -6.854 1.00 0.00 N ATOM 0 H HIS B 595 20.778 10.265 -7.183 1.00 0.00 H new ATOM 0 HA HIS B 595 21.117 12.895 -5.938 1.00 0.00 H new ATOM 0 HB2 HIS B 595 19.725 12.281 -8.075 1.00 0.00 H new ATOM 0 HB3 HIS B 595 18.541 11.666 -6.939 1.00 0.00 H new ATOM 0 HD2 HIS B 595 20.151 15.127 -7.918 1.00 0.00 H new ATOM 0 HE1 HIS B 595 16.628 15.845 -5.667 1.00 0.00 H new ATOM 0 HE2 HIS B 595 18.488 16.926 -7.028 1.00 0.00 H new ATOM 1181 N MET B 596 19.737 10.330 -4.509 1.00 0.00 N ATOM 1182 CA MET B 596 19.185 9.825 -3.257 1.00 0.00 C ATOM 1183 C MET B 596 20.111 10.143 -2.087 1.00 0.00 C ATOM 1184 O MET B 596 19.654 10.385 -0.969 1.00 0.00 O ATOM 1185 CB MET B 596 18.959 8.314 -3.347 1.00 0.00 C ATOM 1186 CG MET B 596 17.765 7.929 -4.206 1.00 0.00 C ATOM 1187 SD MET B 596 17.661 6.152 -4.493 1.00 0.00 S ATOM 1188 CE MET B 596 17.831 5.528 -2.823 1.00 0.00 C ATOM 0 H MET B 596 19.990 9.606 -5.181 1.00 0.00 H new ATOM 0 HA MET B 596 18.229 10.319 -3.085 1.00 0.00 H new ATOM 0 HB2 MET B 596 19.855 7.844 -3.753 1.00 0.00 H new ATOM 0 HB3 MET B 596 18.817 7.915 -2.342 1.00 0.00 H new ATOM 0 HG2 MET B 596 16.849 8.269 -3.722 1.00 0.00 H new ATOM 0 HG3 MET B 596 17.830 8.445 -5.164 1.00 0.00 H new ATOM 0 HE1 MET B 596 17.508 4.487 -2.789 1.00 0.00 H new ATOM 0 HE2 MET B 596 18.874 5.595 -2.514 1.00 0.00 H new ATOM 0 HE3 MET B 596 17.214 6.121 -2.148 1.00 0.00 H new ATOM 1198 N LEU B 597 21.413 10.141 -2.351 1.00 0.00 N ATOM 1199 CA LEU B 597 22.403 10.429 -1.320 1.00 0.00 C ATOM 1200 C LEU B 597 22.048 11.706 -0.566 1.00 0.00 C ATOM 1201 O LEU B 597 22.171 11.771 0.657 1.00 0.00 O ATOM 1202 CB LEU B 597 23.794 10.561 -1.943 1.00 0.00 C ATOM 1203 CG LEU B 597 24.213 9.439 -2.893 1.00 0.00 C ATOM 1204 CD1 LEU B 597 25.683 9.570 -3.258 1.00 0.00 C ATOM 1205 CD2 LEU B 597 23.935 8.080 -2.268 1.00 0.00 C ATOM 0 H LEU B 597 21.807 9.943 -3.271 1.00 0.00 H new ATOM 0 HA LEU B 597 22.406 9.600 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU B 597 23.839 11.505 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU B 597 24.527 10.621 -1.138 1.00 0.00 H new ATOM 0 HG LEU B 597 23.625 9.523 -3.807 1.00 0.00 H new ATOM 0 HD11 LEU B 597 25.963 8.763 -3.935 1.00 0.00 H new ATOM 0 HD12 LEU B 597 25.852 10.529 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU B 597 26.289 9.512 -2.354 1.00 0.00 H new ATOM 0 HD21 LEU B 597 24.239 7.293 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU B 597 24.497 7.985 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU B 597 22.869 7.987 -2.059 1.00 0.00 H new ATOM 1217 N GLU B 598 21.604 12.719 -1.304 1.00 0.00 N ATOM 1218 CA GLU B 598 21.229 13.994 -0.703 1.00 0.00 C ATOM 1219 C GLU B 598 19.712 14.159 -0.679 1.00 0.00 C ATOM 1220 O GLU B 598 19.198 15.276 -0.728 1.00 0.00 O ATOM 1221 CB GLU B 598 21.867 15.153 -1.473 1.00 0.00 C ATOM 1222 CG GLU B 598 21.400 15.255 -2.915 1.00 0.00 C ATOM 1223 CD GLU B 598 21.776 16.576 -3.558 1.00 0.00 C ATOM 1224 OE1 GLU B 598 21.960 17.565 -2.818 1.00 0.00 O ATOM 1225 OE2 GLU B 598 21.886 16.620 -4.801 1.00 0.00 O ATOM 0 H GLU B 598 21.495 12.682 -2.318 1.00 0.00 H new ATOM 0 HA GLU B 598 21.595 14.004 0.324 1.00 0.00 H new ATOM 0 HB2 GLU B 598 21.641 16.088 -0.960 1.00 0.00 H new ATOM 0 HB3 GLU B 598 22.951 15.035 -1.458 1.00 0.00 H new ATOM 0 HG2 GLU B 598 21.833 14.438 -3.492 1.00 0.00 H new ATOM 0 HG3 GLU B 598 20.318 15.132 -2.952 1.00 0.00 H new ATOM 1232 N SER B 599 19.002 13.038 -0.603 1.00 0.00 N ATOM 1233 CA SER B 599 17.544 13.057 -0.576 1.00 0.00 C ATOM 1234 C SER B 599 17.010 12.166 0.541 1.00 0.00 C ATOM 1235 O SER B 599 16.592 11.030 0.318 1.00 0.00 O ATOM 1236 CB SER B 599 16.983 12.597 -1.923 1.00 0.00 C ATOM 1237 OG SER B 599 16.438 13.687 -2.647 1.00 0.00 O ATOM 0 H SER B 599 19.413 12.105 -0.559 1.00 0.00 H new ATOM 0 HA SER B 599 17.221 14.081 -0.386 1.00 0.00 H new ATOM 0 HB2 SER B 599 17.773 12.126 -2.508 1.00 0.00 H new ATOM 0 HB3 SER B 599 16.213 11.842 -1.761 1.00 0.00 H new ATOM 0 HG SER B 599 16.088 13.368 -3.505 1.00 0.00 H new ATOM 1243 N PRO B 600 17.023 12.694 1.774 1.00 0.00 N ATOM 1244 CA PRO B 600 16.543 11.965 2.952 1.00 0.00 C ATOM 1245 C PRO B 600 15.030 11.779 2.942 1.00 0.00 C ATOM 1246 O PRO B 600 14.478 11.062 3.776 1.00 0.00 O ATOM 1247 CB PRO B 600 16.963 12.862 4.120 1.00 0.00 C ATOM 1248 CG PRO B 600 17.052 14.229 3.535 1.00 0.00 C ATOM 1249 CD PRO B 600 17.507 14.043 2.114 1.00 0.00 C ATOM 0 HA PRO B 600 16.953 10.956 3.002 1.00 0.00 H new ATOM 0 HB2 PRO B 600 16.234 12.825 4.930 1.00 0.00 H new ATOM 0 HB3 PRO B 600 17.919 12.547 4.537 1.00 0.00 H new ATOM 0 HG2 PRO B 600 16.086 14.733 3.573 1.00 0.00 H new ATOM 0 HG3 PRO B 600 17.756 14.847 4.092 1.00 0.00 H new ATOM 0 HD2 PRO B 600 17.083 14.800 1.454 1.00 0.00 H new ATOM 0 HD3 PRO B 600 18.591 14.115 2.027 1.00 0.00 H new ATOM 1257 N GLU B 601 14.364 12.429 1.992 1.00 0.00 N ATOM 1258 CA GLU B 601 12.914 12.335 1.875 1.00 0.00 C ATOM 1259 C GLU B 601 12.515 11.134 1.022 1.00 0.00 C ATOM 1260 O GLU B 601 11.358 10.713 1.026 1.00 0.00 O ATOM 1261 CB GLU B 601 12.345 13.618 1.266 1.00 0.00 C ATOM 1262 CG GLU B 601 12.857 13.907 -0.135 1.00 0.00 C ATOM 1263 CD GLU B 601 12.454 15.281 -0.632 1.00 0.00 C ATOM 1264 OE1 GLU B 601 11.255 15.618 -0.535 1.00 0.00 O ATOM 1265 OE2 GLU B 601 13.336 16.020 -1.117 1.00 0.00 O ATOM 0 H GLU B 601 14.806 13.026 1.293 1.00 0.00 H new ATOM 0 HA GLU B 601 12.502 12.202 2.875 1.00 0.00 H new ATOM 0 HB2 GLU B 601 11.258 13.546 1.238 1.00 0.00 H new ATOM 0 HB3 GLU B 601 12.592 14.459 1.914 1.00 0.00 H new ATOM 0 HG2 GLU B 601 13.944 13.826 -0.144 1.00 0.00 H new ATOM 0 HG3 GLU B 601 12.475 13.150 -0.820 1.00 0.00 H new ATOM 1272 N SER B 602 13.481 10.586 0.292 1.00 0.00 N ATOM 1273 CA SER B 602 13.230 9.436 -0.569 1.00 0.00 C ATOM 1274 C SER B 602 13.947 8.197 -0.043 1.00 0.00 C ATOM 1275 O SER B 602 13.417 7.087 -0.101 1.00 0.00 O ATOM 1276 CB SER B 602 13.685 9.734 -1.999 1.00 0.00 C ATOM 1277 OG SER B 602 13.875 8.538 -2.734 1.00 0.00 O ATOM 0 H SER B 602 14.445 10.920 0.279 1.00 0.00 H new ATOM 0 HA SER B 602 12.158 9.241 -0.570 1.00 0.00 H new ATOM 0 HB2 SER B 602 12.942 10.357 -2.498 1.00 0.00 H new ATOM 0 HB3 SER B 602 14.615 10.302 -1.977 1.00 0.00 H new ATOM 0 HG SER B 602 14.164 8.756 -3.645 1.00 0.00 H new ATOM 1283 N LEU B 603 15.156 8.394 0.471 1.00 0.00 N ATOM 1284 CA LEU B 603 15.948 7.293 1.009 1.00 0.00 C ATOM 1285 C LEU B 603 15.133 6.469 2.000 1.00 0.00 C ATOM 1286 O LEU B 603 15.072 5.244 1.901 1.00 0.00 O ATOM 1287 CB LEU B 603 17.208 7.831 1.689 1.00 0.00 C ATOM 1288 CG LEU B 603 18.089 6.793 2.385 1.00 0.00 C ATOM 1289 CD1 LEU B 603 18.709 5.849 1.366 1.00 0.00 C ATOM 1290 CD2 LEU B 603 19.172 7.477 3.207 1.00 0.00 C ATOM 0 H LEU B 603 15.610 9.306 0.527 1.00 0.00 H new ATOM 0 HA LEU B 603 16.237 6.647 0.180 1.00 0.00 H new ATOM 0 HB2 LEU B 603 17.810 8.346 0.940 1.00 0.00 H new ATOM 0 HB3 LEU B 603 16.909 8.577 2.425 1.00 0.00 H new ATOM 0 HG LEU B 603 17.463 6.208 3.059 1.00 0.00 H new ATOM 0 HD11 LEU B 603 19.333 5.117 1.880 1.00 0.00 H new ATOM 0 HD12 LEU B 603 17.919 5.333 0.820 1.00 0.00 H new ATOM 0 HD13 LEU B 603 19.320 6.419 0.667 1.00 0.00 H new ATOM 0 HD21 LEU B 603 19.789 6.723 3.695 1.00 0.00 H new ATOM 0 HD22 LEU B 603 19.794 8.087 2.553 1.00 0.00 H new ATOM 0 HD23 LEU B 603 18.709 8.111 3.963 1.00 0.00 H new ATOM 1302 N ARG B 604 14.506 7.151 2.954 1.00 0.00 N ATOM 1303 CA ARG B 604 13.694 6.482 3.962 1.00 0.00 C ATOM 1304 C ARG B 604 12.617 5.620 3.309 1.00 0.00 C ATOM 1305 O ARG B 604 12.381 4.485 3.723 1.00 0.00 O ATOM 1306 CB ARG B 604 13.045 7.511 4.890 1.00 0.00 C ATOM 1307 CG ARG B 604 14.035 8.486 5.505 1.00 0.00 C ATOM 1308 CD ARG B 604 15.023 7.777 6.417 1.00 0.00 C ATOM 1309 NE ARG B 604 16.194 8.601 6.702 1.00 0.00 N ATOM 1310 CZ ARG B 604 16.976 8.425 7.762 1.00 0.00 C ATOM 1311 NH1 ARG B 604 16.713 7.460 8.632 1.00 0.00 N ATOM 1312 NH2 ARG B 604 18.024 9.216 7.953 1.00 0.00 N ATOM 0 H ARG B 604 14.545 8.166 3.049 1.00 0.00 H new ATOM 0 HA ARG B 604 14.347 5.835 4.548 1.00 0.00 H new ATOM 0 HB2 ARG B 604 12.296 8.071 4.330 1.00 0.00 H new ATOM 0 HB3 ARG B 604 12.520 6.987 5.689 1.00 0.00 H new ATOM 0 HG2 ARG B 604 14.576 9.004 4.713 1.00 0.00 H new ATOM 0 HG3 ARG B 604 13.495 9.245 6.072 1.00 0.00 H new ATOM 0 HD2 ARG B 604 14.529 7.514 7.352 1.00 0.00 H new ATOM 0 HD3 ARG B 604 15.341 6.844 5.951 1.00 0.00 H new ATOM 0 HE ARG B 604 16.424 9.353 6.052 1.00 0.00 H new ATOM 0 HH11 ARG B 604 15.908 6.850 8.489 1.00 0.00 H new ATOM 0 HH12 ARG B 604 17.315 7.328 9.444 1.00 0.00 H new ATOM 0 HH21 ARG B 604 18.230 9.960 7.286 1.00 0.00 H new ATOM 0 HH22 ARG B 604 18.624 9.080 8.767 1.00 0.00 H new ATOM 1326 N SER B 605 11.968 6.167 2.287 1.00 0.00 N ATOM 1327 CA SER B 605 10.913 5.450 1.579 1.00 0.00 C ATOM 1328 C SER B 605 11.442 4.144 0.994 1.00 0.00 C ATOM 1329 O SER B 605 10.916 3.067 1.273 1.00 0.00 O ATOM 1330 CB SER B 605 10.333 6.323 0.465 1.00 0.00 C ATOM 1331 OG SER B 605 10.022 7.620 0.943 1.00 0.00 O ATOM 0 H SER B 605 12.154 7.104 1.930 1.00 0.00 H new ATOM 0 HA SER B 605 10.125 5.215 2.294 1.00 0.00 H new ATOM 0 HB2 SER B 605 11.049 6.396 -0.354 1.00 0.00 H new ATOM 0 HB3 SER B 605 9.434 5.855 0.063 1.00 0.00 H new ATOM 0 HG SER B 605 9.655 8.159 0.212 1.00 0.00 H new ATOM 1337 N LYS B 606 12.488 4.249 0.181 1.00 0.00 N ATOM 1338 CA LYS B 606 13.091 3.077 -0.444 1.00 0.00 C ATOM 1339 C LYS B 606 13.410 2.009 0.597 1.00 0.00 C ATOM 1340 O LYS B 606 12.958 0.869 0.490 1.00 0.00 O ATOM 1341 CB LYS B 606 14.367 3.473 -1.192 1.00 0.00 C ATOM 1342 CG LYS B 606 14.157 4.584 -2.205 1.00 0.00 C ATOM 1343 CD LYS B 606 13.062 4.234 -3.199 1.00 0.00 C ATOM 1344 CE LYS B 606 13.001 5.239 -4.339 1.00 0.00 C ATOM 1345 NZ LYS B 606 11.748 5.103 -5.131 1.00 0.00 N ATOM 0 H LYS B 606 12.936 5.133 -0.060 1.00 0.00 H new ATOM 0 HA LYS B 606 12.374 2.665 -1.154 1.00 0.00 H new ATOM 0 HB2 LYS B 606 15.119 3.789 -0.469 1.00 0.00 H new ATOM 0 HB3 LYS B 606 14.765 2.597 -1.703 1.00 0.00 H new ATOM 0 HG2 LYS B 606 13.897 5.506 -1.686 1.00 0.00 H new ATOM 0 HG3 LYS B 606 15.088 4.771 -2.739 1.00 0.00 H new ATOM 0 HD2 LYS B 606 13.240 3.237 -3.601 1.00 0.00 H new ATOM 0 HD3 LYS B 606 12.100 4.205 -2.687 1.00 0.00 H new ATOM 0 HE2 LYS B 606 13.068 6.250 -3.936 1.00 0.00 H new ATOM 0 HE3 LYS B 606 13.861 5.099 -4.993 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 11.744 5.805 -5.898 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 11.696 4.147 -5.537 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 10.927 5.262 -4.512 1.00 0.00 H new ATOM 1359 N VAL B 607 14.191 2.386 1.605 1.00 0.00 N ATOM 1360 CA VAL B 607 14.569 1.460 2.667 1.00 0.00 C ATOM 1361 C VAL B 607 13.345 0.759 3.245 1.00 0.00 C ATOM 1362 O VAL B 607 13.327 -0.464 3.387 1.00 0.00 O ATOM 1363 CB VAL B 607 15.316 2.184 3.802 1.00 0.00 C ATOM 1364 CG1 VAL B 607 15.814 1.185 4.836 1.00 0.00 C ATOM 1365 CG2 VAL B 607 16.469 3.004 3.243 1.00 0.00 C ATOM 0 H VAL B 607 14.574 3.326 1.709 1.00 0.00 H new ATOM 0 HA VAL B 607 15.232 0.719 2.221 1.00 0.00 H new ATOM 0 HB VAL B 607 14.621 2.865 4.294 1.00 0.00 H new ATOM 0 HG11 VAL B 607 16.339 1.715 5.630 1.00 0.00 H new ATOM 0 HG12 VAL B 607 14.966 0.646 5.259 1.00 0.00 H new ATOM 0 HG13 VAL B 607 16.494 0.478 4.361 1.00 0.00 H new ATOM 0 HG21 VAL B 607 16.986 3.509 4.059 1.00 0.00 H new ATOM 0 HG22 VAL B 607 17.166 2.346 2.724 1.00 0.00 H new ATOM 0 HG23 VAL B 607 16.083 3.746 2.544 1.00 0.00 H new ATOM 1375 N ASP B 608 12.323 1.541 3.576 1.00 0.00 N ATOM 1376 CA ASP B 608 11.093 0.995 4.138 1.00 0.00 C ATOM 1377 C ASP B 608 10.424 0.038 3.155 1.00 0.00 C ATOM 1378 O ASP B 608 9.921 -1.015 3.544 1.00 0.00 O ATOM 1379 CB ASP B 608 10.129 2.124 4.505 1.00 0.00 C ATOM 1380 CG ASP B 608 8.951 1.636 5.324 1.00 0.00 C ATOM 1381 OD1 ASP B 608 9.157 0.774 6.204 1.00 0.00 O ATOM 1382 OD2 ASP B 608 7.823 2.116 5.086 1.00 0.00 O ATOM 0 H ASP B 608 12.322 2.555 3.465 1.00 0.00 H new ATOM 0 HA ASP B 608 11.350 0.440 5.040 1.00 0.00 H new ATOM 0 HB2 ASP B 608 10.666 2.888 5.066 1.00 0.00 H new ATOM 0 HB3 ASP B 608 9.763 2.596 3.593 1.00 0.00 H new ATOM 1387 N GLU B 609 10.423 0.414 1.879 1.00 0.00 N ATOM 1388 CA GLU B 609 9.814 -0.410 0.842 1.00 0.00 C ATOM 1389 C GLU B 609 10.415 -1.813 0.839 1.00 0.00 C ATOM 1390 O GLU B 609 9.693 -2.809 0.825 1.00 0.00 O ATOM 1391 CB GLU B 609 10.000 0.240 -0.531 1.00 0.00 C ATOM 1392 CG GLU B 609 9.251 1.552 -0.690 1.00 0.00 C ATOM 1393 CD GLU B 609 7.877 1.369 -1.305 1.00 0.00 C ATOM 1394 OE1 GLU B 609 7.724 0.467 -2.155 1.00 0.00 O ATOM 1395 OE2 GLU B 609 6.956 2.127 -0.936 1.00 0.00 O ATOM 0 H GLU B 609 10.837 1.283 1.540 1.00 0.00 H new ATOM 0 HA GLU B 609 8.748 -0.491 1.056 1.00 0.00 H new ATOM 0 HB2 GLU B 609 11.063 0.415 -0.700 1.00 0.00 H new ATOM 0 HB3 GLU B 609 9.665 -0.455 -1.301 1.00 0.00 H new ATOM 0 HG2 GLU B 609 9.148 2.028 0.285 1.00 0.00 H new ATOM 0 HG3 GLU B 609 9.837 2.227 -1.314 1.00 0.00 H new ATOM 1402 N ALA B 610 11.742 -1.881 0.851 1.00 0.00 N ATOM 1403 CA ALA B 610 12.441 -3.161 0.851 1.00 0.00 C ATOM 1404 C ALA B 610 12.137 -3.952 2.118 1.00 0.00 C ATOM 1405 O ALA B 610 11.724 -5.110 2.056 1.00 0.00 O ATOM 1406 CB ALA B 610 13.940 -2.943 0.708 1.00 0.00 C ATOM 0 H ALA B 610 12.355 -1.066 0.861 1.00 0.00 H new ATOM 0 HA ALA B 610 12.087 -3.741 -0.001 1.00 0.00 H new ATOM 0 HB1 ALA B 610 14.450 -3.907 0.709 1.00 0.00 H new ATOM 0 HB2 ALA B 610 14.145 -2.426 -0.229 1.00 0.00 H new ATOM 0 HB3 ALA B 610 14.301 -2.340 1.541 1.00 0.00 H new ATOM 1412 N VAL B 611 12.346 -3.320 3.269 1.00 0.00 N ATOM 1413 CA VAL B 611 12.095 -3.965 4.552 1.00 0.00 C ATOM 1414 C VAL B 611 10.694 -4.566 4.600 1.00 0.00 C ATOM 1415 O VAL B 611 10.484 -5.629 5.182 1.00 0.00 O ATOM 1416 CB VAL B 611 12.257 -2.974 5.720 1.00 0.00 C ATOM 1417 CG1 VAL B 611 11.927 -3.649 7.043 1.00 0.00 C ATOM 1418 CG2 VAL B 611 13.666 -2.402 5.741 1.00 0.00 C ATOM 0 H VAL B 611 12.689 -2.362 3.339 1.00 0.00 H new ATOM 0 HA VAL B 611 12.833 -4.761 4.656 1.00 0.00 H new ATOM 0 HB VAL B 611 11.557 -2.151 5.575 1.00 0.00 H new ATOM 0 HG11 VAL B 611 12.047 -2.933 7.856 1.00 0.00 H new ATOM 0 HG12 VAL B 611 10.897 -4.006 7.023 1.00 0.00 H new ATOM 0 HG13 VAL B 611 12.600 -4.492 7.199 1.00 0.00 H new ATOM 0 HG21 VAL B 611 13.763 -1.704 6.572 1.00 0.00 H new ATOM 0 HG22 VAL B 611 14.386 -3.212 5.861 1.00 0.00 H new ATOM 0 HG23 VAL B 611 13.861 -1.880 4.804 1.00 0.00 H new ATOM 1428 N ALA B 612 9.740 -3.877 3.983 1.00 0.00 N ATOM 1429 CA ALA B 612 8.359 -4.344 3.953 1.00 0.00 C ATOM 1430 C ALA B 612 8.194 -5.506 2.980 1.00 0.00 C ATOM 1431 O ALA B 612 7.345 -6.376 3.175 1.00 0.00 O ATOM 1432 CB ALA B 612 7.425 -3.202 3.580 1.00 0.00 C ATOM 0 H ALA B 612 9.898 -2.994 3.497 1.00 0.00 H new ATOM 0 HA ALA B 612 8.099 -4.700 4.950 1.00 0.00 H new ATOM 0 HB1 ALA B 612 6.397 -3.564 3.561 1.00 0.00 H new ATOM 0 HB2 ALA B 612 7.515 -2.403 4.316 1.00 0.00 H new ATOM 0 HB3 ALA B 612 7.693 -2.820 2.595 1.00 0.00 H new ATOM 1438 N VAL B 613 9.009 -5.513 1.930 1.00 0.00 N ATOM 1439 CA VAL B 613 8.953 -6.569 0.926 1.00 0.00 C ATOM 1440 C VAL B 613 9.331 -7.919 1.526 1.00 0.00 C ATOM 1441 O VAL B 613 8.955 -8.970 1.005 1.00 0.00 O ATOM 1442 CB VAL B 613 9.889 -6.266 -0.259 1.00 0.00 C ATOM 1443 CG1 VAL B 613 11.162 -7.092 -0.159 1.00 0.00 C ATOM 1444 CG2 VAL B 613 9.177 -6.527 -1.579 1.00 0.00 C ATOM 0 H VAL B 613 9.716 -4.799 1.753 1.00 0.00 H new ATOM 0 HA VAL B 613 7.925 -6.610 0.566 1.00 0.00 H new ATOM 0 HB VAL B 613 10.165 -5.212 -0.222 1.00 0.00 H new ATOM 0 HG11 VAL B 613 11.811 -6.864 -1.005 1.00 0.00 H new ATOM 0 HG12 VAL B 613 11.679 -6.852 0.770 1.00 0.00 H new ATOM 0 HG13 VAL B 613 10.910 -8.152 -0.170 1.00 0.00 H new ATOM 0 HG21 VAL B 613 9.852 -6.308 -2.406 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.871 -7.572 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL B 613 8.297 -5.888 -1.650 1.00 0.00 H new ATOM 1454 N LEU B 614 10.077 -7.883 2.625 1.00 0.00 N ATOM 1455 CA LEU B 614 10.506 -9.104 3.298 1.00 0.00 C ATOM 1456 C LEU B 614 9.329 -9.793 3.981 1.00 0.00 C ATOM 1457 O LEU B 614 9.043 -10.960 3.717 1.00 0.00 O ATOM 1458 CB LEU B 614 11.593 -8.788 4.327 1.00 0.00 C ATOM 1459 CG LEU B 614 12.063 -9.960 5.189 1.00 0.00 C ATOM 1460 CD1 LEU B 614 11.096 -10.200 6.337 1.00 0.00 C ATOM 1461 CD2 LEU B 614 12.213 -11.217 4.344 1.00 0.00 C ATOM 0 H LEU B 614 10.397 -7.022 3.069 1.00 0.00 H new ATOM 0 HA LEU B 614 10.912 -9.780 2.545 1.00 0.00 H new ATOM 0 HB2 LEU B 614 12.456 -8.381 3.800 1.00 0.00 H new ATOM 0 HB3 LEU B 614 11.223 -8.003 4.987 1.00 0.00 H new ATOM 0 HG LEU B 614 13.037 -9.710 5.608 1.00 0.00 H new ATOM 0 HD11 LEU B 614 11.447 -11.038 6.939 1.00 0.00 H new ATOM 0 HD12 LEU B 614 11.039 -9.306 6.958 1.00 0.00 H new ATOM 0 HD13 LEU B 614 10.108 -10.429 5.938 1.00 0.00 H new ATOM 0 HD21 LEU B 614 12.548 -12.041 4.974 1.00 0.00 H new ATOM 0 HD22 LEU B 614 11.252 -11.471 3.895 1.00 0.00 H new ATOM 0 HD23 LEU B 614 12.946 -11.041 3.557 1.00 0.00 H new ATOM 1473 N GLN B 615 8.649 -9.061 4.857 1.00 0.00 N ATOM 1474 CA GLN B 615 7.501 -9.601 5.576 1.00 0.00 C ATOM 1475 C GLN B 615 6.474 -10.177 4.607 1.00 0.00 C ATOM 1476 O GLN B 615 5.896 -11.234 4.857 1.00 0.00 O ATOM 1477 CB GLN B 615 6.854 -8.515 6.437 1.00 0.00 C ATOM 1478 CG GLN B 615 7.854 -7.706 7.249 1.00 0.00 C ATOM 1479 CD GLN B 615 7.295 -7.261 8.586 1.00 0.00 C ATOM 1480 OE1 GLN B 615 6.379 -7.882 9.127 1.00 0.00 O ATOM 1481 NE2 GLN B 615 7.845 -6.181 9.128 1.00 0.00 N ATOM 0 H GLN B 615 8.873 -8.093 5.086 1.00 0.00 H new ATOM 0 HA GLN B 615 7.854 -10.404 6.223 1.00 0.00 H new ATOM 0 HB2 GLN B 615 6.291 -7.840 5.793 1.00 0.00 H new ATOM 0 HB3 GLN B 615 6.138 -8.979 7.116 1.00 0.00 H new ATOM 0 HG2 GLN B 615 8.750 -8.304 7.415 1.00 0.00 H new ATOM 0 HG3 GLN B 615 8.157 -6.830 6.676 1.00 0.00 H new ATOM 0 HE21 GLN B 615 8.602 -5.697 8.645 1.00 0.00 H new ATOM 0 HE22 GLN B 615 7.511 -5.835 10.027 1.00 0.00 H new ATOM 1490 N ALA B 616 6.253 -9.476 3.501 1.00 0.00 N ATOM 1491 CA ALA B 616 5.296 -9.918 2.494 1.00 0.00 C ATOM 1492 C ALA B 616 5.630 -11.322 2.000 1.00 0.00 C ATOM 1493 O ALA B 616 4.737 -12.137 1.766 1.00 0.00 O ATOM 1494 CB ALA B 616 5.266 -8.940 1.329 1.00 0.00 C ATOM 0 H ALA B 616 6.724 -8.599 3.279 1.00 0.00 H new ATOM 0 HA ALA B 616 4.308 -9.948 2.954 1.00 0.00 H new ATOM 0 HB1 ALA B 616 4.547 -9.283 0.585 1.00 0.00 H new ATOM 0 HB2 ALA B 616 4.973 -7.954 1.689 1.00 0.00 H new ATOM 0 HB3 ALA B 616 6.256 -8.882 0.877 1.00 0.00 H new