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 599 SER OG : rot -122:sc= 0.0555 USER MOD Set 1.2: B 602 SER OG : rot 180:sc= 0.0544 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=-0.16) USER MOD Single : B 556 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.1) USER MOD Single : B 558 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : B 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 560 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.55) USER MOD Single : B 561 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 571 GLN : amide:sc= -0.64 K(o=-0.64,f=-1.7) USER MOD Single : B 573 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 574 HIS :FLIP no HD1:sc= -3.33! C(o=-4.2!,f=-3.3!) USER MOD Single : B 576 THR OG1 : rot 180:sc= 0 USER MOD Single : B 580 LYS NZ :NH3+ -158:sc= 0.0921 (180deg=-0.405) USER MOD Single : B 582 THR OG1 : rot 93:sc= 1.22 USER MOD Single : B 584 MET CE :methyl 144:sc= -1.42 (180deg=-3.54!) USER MOD Single : B 590 ASN : amide:sc= -0.095 K(o=-0.095,f=-0.83) 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 -129:sc= -1.82 (180deg=-3.3!) 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= -0.159 K(o=-0.16,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 67 N VAL A 77 8.597 -2.187 -5.311 1.00 0.00 N ATOM 68 CA VAL A 77 8.381 -3.628 -5.351 1.00 0.00 C ATOM 69 C VAL A 77 9.700 -4.378 -5.498 1.00 0.00 C ATOM 70 O VAL A 77 9.959 -5.036 -6.506 1.00 0.00 O ATOM 71 CB VAL A 77 7.446 -4.024 -6.509 1.00 0.00 C ATOM 72 CG1 VAL A 77 6.879 -5.418 -6.286 1.00 0.00 C ATOM 73 CG2 VAL A 77 6.328 -3.003 -6.663 1.00 0.00 C ATOM 0 HA VAL A 77 7.913 -3.904 -4.406 1.00 0.00 H new ATOM 0 HB VAL A 77 8.025 -4.038 -7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.221 -5.680 -7.114 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.695 -6.138 -6.229 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.314 -5.436 -5.354 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.677 -3.298 -7.486 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.749 -2.956 -5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.757 -2.023 -6.873 1.00 0.00 H new ATOM 83 N PRO A 78 10.554 -4.280 -4.469 1.00 0.00 N ATOM 84 CA PRO A 78 11.861 -4.944 -4.459 1.00 0.00 C ATOM 85 C PRO A 78 11.741 -6.459 -4.341 1.00 0.00 C ATOM 86 O PRO A 78 10.695 -6.980 -3.956 1.00 0.00 O ATOM 87 CB PRO A 78 12.545 -4.363 -3.218 1.00 0.00 C ATOM 88 CG PRO A 78 11.425 -3.952 -2.326 1.00 0.00 C ATOM 89 CD PRO A 78 10.311 -3.513 -3.236 1.00 0.00 C ATOM 0 HA PRO A 78 12.411 -4.774 -5.385 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.184 -5.102 -2.736 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.178 -3.514 -3.476 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.108 -4.780 -1.692 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.730 -3.142 -1.664 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.333 -3.737 -2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.341 -2.439 -3.419 1.00 0.00 H new ATOM 97 N ASN A 79 12.819 -7.162 -4.673 1.00 0.00 N ATOM 98 CA ASN A 79 12.833 -8.618 -4.604 1.00 0.00 C ATOM 99 C ASN A 79 13.550 -9.096 -3.345 1.00 0.00 C ATOM 100 O ASN A 79 14.778 -9.176 -3.309 1.00 0.00 O ATOM 101 CB ASN A 79 13.513 -9.202 -5.844 1.00 0.00 C ATOM 102 CG ASN A 79 12.540 -9.427 -6.985 1.00 0.00 C ATOM 103 OD1 ASN A 79 12.472 -8.633 -7.924 1.00 0.00 O ATOM 104 ND2 ASN A 79 11.781 -10.514 -6.909 1.00 0.00 N ATOM 0 H ASN A 79 13.694 -6.747 -4.992 1.00 0.00 H new ATOM 0 HA ASN A 79 11.800 -8.965 -4.567 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.304 -8.528 -6.172 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.988 -10.148 -5.583 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.108 -10.719 -7.647 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.871 -11.144 -6.112 1.00 0.00 H new ATOM 111 N VAL A 80 12.775 -9.413 -2.313 1.00 0.00 N ATOM 112 CA VAL A 80 13.335 -9.885 -1.052 1.00 0.00 C ATOM 113 C VAL A 80 14.310 -11.034 -1.280 1.00 0.00 C ATOM 114 O VAL A 80 15.241 -11.237 -0.499 1.00 0.00 O ATOM 115 CB VAL A 80 12.229 -10.348 -0.085 1.00 0.00 C ATOM 116 CG1 VAL A 80 11.266 -11.293 -0.788 1.00 0.00 C ATOM 117 CG2 VAL A 80 12.838 -11.010 1.141 1.00 0.00 C ATOM 0 H VAL A 80 11.757 -9.352 -2.325 1.00 0.00 H new ATOM 0 HA VAL A 80 13.867 -9.044 -0.607 1.00 0.00 H new ATOM 0 HB VAL A 80 11.667 -9.473 0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.492 -11.610 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.805 -10.781 -1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.810 -12.167 -1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.043 -11.331 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.425 -11.876 0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.484 -10.298 1.656 1.00 0.00 H new ATOM 127 N HIS A 81 14.091 -11.784 -2.355 1.00 0.00 N ATOM 128 CA HIS A 81 14.952 -12.914 -2.687 1.00 0.00 C ATOM 129 C HIS A 81 16.270 -12.435 -3.289 1.00 0.00 C ATOM 130 O HIS A 81 16.604 -12.774 -4.424 1.00 0.00 O ATOM 131 CB HIS A 81 14.243 -13.853 -3.664 1.00 0.00 C ATOM 132 CG HIS A 81 12.875 -14.263 -3.214 1.00 0.00 C ATOM 133 ND1 HIS A 81 11.730 -13.583 -3.571 1.00 0.00 N ATOM 134 CD2 HIS A 81 12.471 -15.292 -2.432 1.00 0.00 C ATOM 135 CE1 HIS A 81 10.681 -14.175 -3.028 1.00 0.00 C ATOM 136 NE2 HIS A 81 11.104 -15.215 -2.331 1.00 0.00 N ATOM 0 H HIS A 81 13.325 -11.630 -3.011 1.00 0.00 H new ATOM 0 HA HIS A 81 15.169 -13.456 -1.767 1.00 0.00 H new ATOM 0 HB2 HIS A 81 14.166 -13.363 -4.635 1.00 0.00 H new ATOM 0 HB3 HIS A 81 14.853 -14.745 -3.805 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.106 -16.035 -1.973 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.653 -13.862 -3.135 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.511 -15.856 -1.804 1.00 0.00 H new ATOM 144 N ALA A 82 17.012 -11.644 -2.522 1.00 0.00 N ATOM 145 CA ALA A 82 18.293 -11.120 -2.979 1.00 0.00 C ATOM 146 C ALA A 82 19.450 -11.744 -2.206 1.00 0.00 C ATOM 147 O ALA A 82 19.265 -12.712 -1.469 1.00 0.00 O ATOM 148 CB ALA A 82 18.322 -9.604 -2.844 1.00 0.00 C ATOM 0 H ALA A 82 16.748 -11.352 -1.581 1.00 0.00 H new ATOM 0 HA ALA A 82 18.410 -11.383 -4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 82 19.285 -9.226 -3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.525 -9.170 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.178 -9.329 -1.799 1.00 0.00 H new ATOM 154 N ALA A 83 20.642 -11.183 -2.380 1.00 0.00 N ATOM 155 CA ALA A 83 21.829 -11.685 -1.697 1.00 0.00 C ATOM 156 C ALA A 83 22.815 -10.557 -1.411 1.00 0.00 C ATOM 157 O ALA A 83 22.702 -9.466 -1.969 1.00 0.00 O ATOM 158 CB ALA A 83 22.494 -12.774 -2.525 1.00 0.00 C ATOM 0 H ALA A 83 20.812 -10.381 -2.987 1.00 0.00 H new ATOM 0 HA ALA A 83 21.517 -12.110 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 83 23.378 -13.139 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 83 21.795 -13.597 -2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 83 22.786 -12.368 -3.493 1.00 0.00 H new ATOM 164 N GLU A 84 23.781 -10.829 -0.539 1.00 0.00 N ATOM 165 CA GLU A 84 24.786 -9.836 -0.180 1.00 0.00 C ATOM 166 C GLU A 84 25.424 -9.231 -1.427 1.00 0.00 C ATOM 167 O GLU A 84 26.034 -9.936 -2.231 1.00 0.00 O ATOM 168 CB GLU A 84 25.865 -10.466 0.703 1.00 0.00 C ATOM 169 CG GLU A 84 26.547 -11.666 0.068 1.00 0.00 C ATOM 170 CD GLU A 84 26.413 -12.924 0.904 1.00 0.00 C ATOM 171 OE1 GLU A 84 25.269 -13.288 1.246 1.00 0.00 O ATOM 172 OE2 GLU A 84 27.451 -13.543 1.217 1.00 0.00 O ATOM 0 H GLU A 84 23.889 -11.728 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 84 24.290 -9.040 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 84 26.617 -9.713 0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 84 25.416 -10.772 1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 84 26.118 -11.843 -0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 84 27.604 -11.443 -0.079 1.00 0.00 H new ATOM 179 N PHE A 85 25.278 -7.919 -1.582 1.00 0.00 N ATOM 180 CA PHE A 85 25.837 -7.218 -2.732 1.00 0.00 C ATOM 181 C PHE A 85 27.314 -7.557 -2.909 1.00 0.00 C ATOM 182 O PHE A 85 28.088 -7.534 -1.952 1.00 0.00 O ATOM 183 CB PHE A 85 25.666 -5.706 -2.567 1.00 0.00 C ATOM 184 CG PHE A 85 26.684 -5.083 -1.656 1.00 0.00 C ATOM 185 CD1 PHE A 85 26.442 -4.975 -0.296 1.00 0.00 C ATOM 186 CD2 PHE A 85 27.884 -4.606 -2.159 1.00 0.00 C ATOM 187 CE1 PHE A 85 27.377 -4.401 0.544 1.00 0.00 C ATOM 188 CE2 PHE A 85 28.823 -4.031 -1.323 1.00 0.00 C ATOM 189 CZ PHE A 85 28.570 -3.930 0.030 1.00 0.00 C ATOM 0 H PHE A 85 24.777 -7.320 -0.926 1.00 0.00 H new ATOM 0 HA PHE A 85 25.298 -7.543 -3.622 1.00 0.00 H new ATOM 0 HB2 PHE A 85 25.729 -5.232 -3.547 1.00 0.00 H new ATOM 0 HB3 PHE A 85 24.669 -5.502 -2.178 1.00 0.00 H new ATOM 0 HD1 PHE A 85 25.512 -5.343 0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 85 28.088 -4.684 -3.217 1.00 0.00 H new ATOM 0 HE1 PHE A 85 27.175 -4.321 1.602 1.00 0.00 H new ATOM 0 HE2 PHE A 85 29.753 -3.661 -1.728 1.00 0.00 H new ATOM 0 HZ PHE A 85 29.303 -3.484 0.686 1.00 0.00 H new ATOM 537 N GLN B 556 31.895 -1.039 -13.038 1.00 0.00 N ATOM 538 CA GLN B 556 31.950 -2.264 -12.248 1.00 0.00 C ATOM 539 C GLN B 556 32.283 -1.958 -10.792 1.00 0.00 C ATOM 540 O GLN B 556 31.779 -2.613 -9.880 1.00 0.00 O ATOM 541 CB GLN B 556 32.988 -3.225 -12.830 1.00 0.00 C ATOM 542 CG GLN B 556 34.361 -2.599 -13.015 1.00 0.00 C ATOM 543 CD GLN B 556 34.864 -2.707 -14.441 1.00 0.00 C ATOM 544 OE1 GLN B 556 34.080 -2.698 -15.391 1.00 0.00 O ATOM 545 NE2 GLN B 556 36.179 -2.810 -14.599 1.00 0.00 N ATOM 0 HA GLN B 556 30.968 -2.735 -12.286 1.00 0.00 H new ATOM 0 HB2 GLN B 556 33.078 -4.090 -12.173 1.00 0.00 H new ATOM 0 HB3 GLN B 556 32.632 -3.591 -13.793 1.00 0.00 H new ATOM 0 HG2 GLN B 556 34.319 -1.549 -12.727 1.00 0.00 H new ATOM 0 HG3 GLN B 556 35.071 -3.085 -12.346 1.00 0.00 H new ATOM 0 HE21 GLN B 556 36.792 -2.813 -13.784 1.00 0.00 H new ATOM 0 HE22 GLN B 556 36.576 -2.886 -15.536 1.00 0.00 H new ATOM 554 N GLU B 557 33.134 -0.959 -10.581 1.00 0.00 N ATOM 555 CA GLU B 557 33.535 -0.568 -9.235 1.00 0.00 C ATOM 556 C GLU B 557 32.466 0.303 -8.580 1.00 0.00 C ATOM 557 O GLU B 557 32.366 0.363 -7.355 1.00 0.00 O ATOM 558 CB GLU B 557 34.867 0.183 -9.273 1.00 0.00 C ATOM 559 CG GLU B 557 36.064 -0.713 -9.546 1.00 0.00 C ATOM 560 CD GLU B 557 36.643 -1.313 -8.280 1.00 0.00 C ATOM 561 OE1 GLU B 557 36.583 -0.648 -7.225 1.00 0.00 O ATOM 562 OE2 GLU B 557 37.157 -2.450 -8.344 1.00 0.00 O ATOM 0 H GLU B 557 33.559 -0.406 -11.325 1.00 0.00 H new ATOM 0 HA GLU B 557 33.654 -1.475 -8.642 1.00 0.00 H new ATOM 0 HB2 GLU B 557 34.818 0.954 -10.042 1.00 0.00 H new ATOM 0 HB3 GLU B 557 35.015 0.692 -8.321 1.00 0.00 H new ATOM 0 HG2 GLU B 557 35.766 -1.515 -10.221 1.00 0.00 H new ATOM 0 HG3 GLU B 557 36.836 -0.137 -10.057 1.00 0.00 H new ATOM 569 N GLN B 558 31.671 0.975 -9.407 1.00 0.00 N ATOM 570 CA GLN B 558 30.611 1.843 -8.909 1.00 0.00 C ATOM 571 C GLN B 558 29.640 1.065 -8.027 1.00 0.00 C ATOM 572 O GLN B 558 29.151 1.579 -7.020 1.00 0.00 O ATOM 573 CB GLN B 558 29.857 2.484 -10.075 1.00 0.00 C ATOM 574 CG GLN B 558 30.467 3.794 -10.547 1.00 0.00 C ATOM 575 CD GLN B 558 29.536 4.580 -11.449 1.00 0.00 C ATOM 576 OE1 GLN B 558 29.379 5.791 -11.294 1.00 0.00 O ATOM 577 NE2 GLN B 558 28.913 3.893 -12.400 1.00 0.00 N ATOM 0 H GLN B 558 31.741 0.935 -10.424 1.00 0.00 H new ATOM 0 HA GLN B 558 31.071 2.628 -8.308 1.00 0.00 H new ATOM 0 HB2 GLN B 558 29.831 1.783 -10.909 1.00 0.00 H new ATOM 0 HB3 GLN B 558 28.824 2.661 -9.776 1.00 0.00 H new ATOM 0 HG2 GLN B 558 30.727 4.402 -9.681 1.00 0.00 H new ATOM 0 HG3 GLN B 558 31.395 3.587 -11.081 1.00 0.00 H new ATOM 0 HE21 GLN B 558 29.073 2.890 -12.492 1.00 0.00 H new ATOM 0 HE22 GLN B 558 28.275 4.369 -13.038 1.00 0.00 H new ATOM 586 N LYS B 559 29.363 -0.176 -8.411 1.00 0.00 N ATOM 587 CA LYS B 559 28.451 -1.026 -7.656 1.00 0.00 C ATOM 588 C LYS B 559 29.013 -1.331 -6.271 1.00 0.00 C ATOM 589 O LYS B 559 28.422 -0.961 -5.257 1.00 0.00 O ATOM 590 CB LYS B 559 28.193 -2.332 -8.412 1.00 0.00 C ATOM 591 CG LYS B 559 26.966 -3.083 -7.928 1.00 0.00 C ATOM 592 CD LYS B 559 26.627 -4.247 -8.844 1.00 0.00 C ATOM 593 CE LYS B 559 25.892 -3.780 -10.091 1.00 0.00 C ATOM 594 NZ LYS B 559 25.826 -4.847 -11.128 1.00 0.00 N ATOM 0 H LYS B 559 29.758 -0.616 -9.242 1.00 0.00 H new ATOM 0 HA LYS B 559 27.509 -0.490 -7.537 1.00 0.00 H new ATOM 0 HB2 LYS B 559 28.078 -2.111 -9.473 1.00 0.00 H new ATOM 0 HB3 LYS B 559 29.066 -2.977 -8.314 1.00 0.00 H new ATOM 0 HG2 LYS B 559 27.140 -3.453 -6.917 1.00 0.00 H new ATOM 0 HG3 LYS B 559 26.118 -2.401 -7.876 1.00 0.00 H new ATOM 0 HD2 LYS B 559 27.543 -4.763 -9.132 1.00 0.00 H new ATOM 0 HD3 LYS B 559 26.011 -4.967 -8.306 1.00 0.00 H new ATOM 0 HE2 LYS B 559 24.882 -3.471 -9.823 1.00 0.00 H new ATOM 0 HE3 LYS B 559 26.394 -2.904 -10.502 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 25.318 -4.490 -11.962 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 26.790 -5.124 -11.403 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 25.324 -5.673 -10.744 1.00 0.00 H new ATOM 608 N GLN B 560 30.157 -2.007 -6.237 1.00 0.00 N ATOM 609 CA GLN B 560 30.798 -2.360 -4.976 1.00 0.00 C ATOM 610 C GLN B 560 30.959 -1.133 -4.085 1.00 0.00 C ATOM 611 O GLN B 560 30.756 -1.203 -2.873 1.00 0.00 O ATOM 612 CB GLN B 560 32.163 -3.000 -5.235 1.00 0.00 C ATOM 613 CG GLN B 560 33.024 -2.221 -6.216 1.00 0.00 C ATOM 614 CD GLN B 560 34.399 -2.832 -6.399 1.00 0.00 C ATOM 615 OE1 GLN B 560 35.317 -2.565 -5.623 1.00 0.00 O ATOM 616 NE2 GLN B 560 34.548 -3.658 -7.428 1.00 0.00 N ATOM 0 H GLN B 560 30.659 -2.321 -7.068 1.00 0.00 H new ATOM 0 HA GLN B 560 30.160 -3.078 -4.462 1.00 0.00 H new ATOM 0 HB2 GLN B 560 32.697 -3.092 -4.289 1.00 0.00 H new ATOM 0 HB3 GLN B 560 32.015 -4.010 -5.617 1.00 0.00 H new ATOM 0 HG2 GLN B 560 32.519 -2.177 -7.181 1.00 0.00 H new ATOM 0 HG3 GLN B 560 33.131 -1.195 -5.865 1.00 0.00 H new ATOM 0 HE21 GLN B 560 33.759 -3.851 -8.046 1.00 0.00 H new ATOM 0 HE22 GLN B 560 35.451 -4.100 -7.601 1.00 0.00 H new ATOM 625 N MET B 561 31.326 -0.010 -4.693 1.00 0.00 N ATOM 626 CA MET B 561 31.513 1.234 -3.954 1.00 0.00 C ATOM 627 C MET B 561 30.214 1.668 -3.283 1.00 0.00 C ATOM 628 O MET B 561 30.176 1.898 -2.074 1.00 0.00 O ATOM 629 CB MET B 561 32.012 2.337 -4.889 1.00 0.00 C ATOM 630 CG MET B 561 33.459 2.160 -5.321 1.00 0.00 C ATOM 631 SD MET B 561 34.577 3.305 -4.490 1.00 0.00 S ATOM 632 CE MET B 561 34.538 4.695 -5.618 1.00 0.00 C ATOM 0 H MET B 561 31.500 0.065 -5.695 1.00 0.00 H new ATOM 0 HA MET B 561 32.260 1.059 -3.180 1.00 0.00 H new ATOM 0 HB2 MET B 561 31.378 2.365 -5.775 1.00 0.00 H new ATOM 0 HB3 MET B 561 31.906 3.300 -4.390 1.00 0.00 H new ATOM 0 HG2 MET B 561 33.773 1.137 -5.114 1.00 0.00 H new ATOM 0 HG3 MET B 561 33.533 2.304 -6.399 1.00 0.00 H new ATOM 0 HE1 MET B 561 35.183 5.488 -5.240 1.00 0.00 H new ATOM 0 HE2 MET B 561 34.890 4.377 -6.599 1.00 0.00 H new ATOM 0 HE3 MET B 561 33.517 5.067 -5.702 1.00 0.00 H new ATOM 642 N LEU B 562 29.153 1.779 -4.074 1.00 0.00 N ATOM 643 CA LEU B 562 27.852 2.187 -3.556 1.00 0.00 C ATOM 644 C LEU B 562 27.423 1.293 -2.397 1.00 0.00 C ATOM 645 O LEU B 562 27.108 1.776 -1.311 1.00 0.00 O ATOM 646 CB LEU B 562 26.801 2.141 -4.667 1.00 0.00 C ATOM 647 CG LEU B 562 26.805 3.317 -5.644 1.00 0.00 C ATOM 648 CD1 LEU B 562 25.740 3.127 -6.713 1.00 0.00 C ATOM 649 CD2 LEU B 562 26.590 4.628 -4.901 1.00 0.00 C ATOM 0 H LEU B 562 29.168 1.592 -5.077 1.00 0.00 H new ATOM 0 HA LEU B 562 27.939 3.210 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU B 562 26.942 1.222 -5.236 1.00 0.00 H new ATOM 0 HB3 LEU B 562 25.815 2.082 -4.205 1.00 0.00 H new ATOM 0 HG LEU B 562 27.778 3.355 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU B 562 25.758 3.974 -7.399 1.00 0.00 H new ATOM 0 HD12 LEU B 562 25.938 2.208 -7.265 1.00 0.00 H new ATOM 0 HD13 LEU B 562 24.759 3.062 -6.242 1.00 0.00 H new ATOM 0 HD21 LEU B 562 26.596 5.454 -5.612 1.00 0.00 H new ATOM 0 HD22 LEU B 562 25.631 4.600 -4.384 1.00 0.00 H new ATOM 0 HD23 LEU B 562 27.390 4.769 -4.174 1.00 0.00 H new ATOM 661 N GLY B 563 27.415 -0.015 -2.637 1.00 0.00 N ATOM 662 CA GLY B 563 27.025 -0.956 -1.603 1.00 0.00 C ATOM 663 C GLY B 563 27.922 -0.882 -0.384 1.00 0.00 C ATOM 664 O GLY B 563 27.440 -0.858 0.748 1.00 0.00 O ATOM 0 H GLY B 563 27.671 -0.439 -3.528 1.00 0.00 H new ATOM 0 HA2 GLY B 563 25.995 -0.758 -1.305 1.00 0.00 H new ATOM 0 HA3 GLY B 563 27.050 -1.968 -2.008 1.00 0.00 H new ATOM 668 N GLU B 564 29.231 -0.848 -0.615 1.00 0.00 N ATOM 669 CA GLU B 564 30.197 -0.779 0.475 1.00 0.00 C ATOM 670 C GLU B 564 29.887 0.392 1.404 1.00 0.00 C ATOM 671 O GLU B 564 29.904 0.250 2.626 1.00 0.00 O ATOM 672 CB GLU B 564 31.616 -0.643 -0.079 1.00 0.00 C ATOM 673 CG GLU B 564 32.302 -1.976 -0.329 1.00 0.00 C ATOM 674 CD GLU B 564 33.755 -1.974 0.106 1.00 0.00 C ATOM 675 OE1 GLU B 564 34.018 -1.718 1.299 1.00 0.00 O ATOM 676 OE2 GLU B 564 34.629 -2.230 -0.749 1.00 0.00 O ATOM 0 H GLU B 564 29.646 -0.867 -1.546 1.00 0.00 H new ATOM 0 HA GLU B 564 30.126 -1.703 1.048 1.00 0.00 H new ATOM 0 HB2 GLU B 564 31.580 -0.082 -1.013 1.00 0.00 H new ATOM 0 HB3 GLU B 564 32.216 -0.061 0.620 1.00 0.00 H new ATOM 0 HG2 GLU B 564 31.768 -2.761 0.205 1.00 0.00 H new ATOM 0 HG3 GLU B 564 32.245 -2.217 -1.391 1.00 0.00 H new ATOM 683 N ARG B 565 29.605 1.549 0.813 1.00 0.00 N ATOM 684 CA ARG B 565 29.293 2.745 1.586 1.00 0.00 C ATOM 685 C ARG B 565 27.877 2.675 2.149 1.00 0.00 C ATOM 686 O ARG B 565 27.583 3.258 3.194 1.00 0.00 O ATOM 687 CB ARG B 565 29.446 3.994 0.716 1.00 0.00 C ATOM 688 CG ARG B 565 30.877 4.258 0.276 1.00 0.00 C ATOM 689 CD ARG B 565 31.468 5.460 0.996 1.00 0.00 C ATOM 690 NE ARG B 565 32.393 5.064 2.055 1.00 0.00 N ATOM 691 CZ ARG B 565 32.011 4.774 3.294 1.00 0.00 C ATOM 692 NH1 ARG B 565 30.729 4.835 3.627 1.00 0.00 N ATOM 693 NH2 ARG B 565 32.912 4.421 4.202 1.00 0.00 N ATOM 0 H ARG B 565 29.586 1.683 -0.198 1.00 0.00 H new ATOM 0 HA ARG B 565 29.994 2.802 2.419 1.00 0.00 H new ATOM 0 HB2 ARG B 565 28.816 3.890 -0.168 1.00 0.00 H new ATOM 0 HB3 ARG B 565 29.079 4.859 1.269 1.00 0.00 H new ATOM 0 HG2 ARG B 565 31.488 3.377 0.474 1.00 0.00 H new ATOM 0 HG3 ARG B 565 30.902 4.428 -0.800 1.00 0.00 H new ATOM 0 HD2 ARG B 565 31.989 6.093 0.277 1.00 0.00 H new ATOM 0 HD3 ARG B 565 30.663 6.059 1.423 1.00 0.00 H new ATOM 0 HE ARG B 565 33.386 5.007 1.831 1.00 0.00 H new ATOM 0 HH11 ARG B 565 30.034 5.105 2.931 1.00 0.00 H new ATOM 0 HH12 ARG B 565 30.438 4.612 4.579 1.00 0.00 H new ATOM 0 HH21 ARG B 565 33.899 4.372 3.949 1.00 0.00 H new ATOM 0 HH22 ARG B 565 32.618 4.199 5.153 1.00 0.00 H new ATOM 707 N LEU B 566 27.003 1.958 1.451 1.00 0.00 N ATOM 708 CA LEU B 566 25.617 1.811 1.881 1.00 0.00 C ATOM 709 C LEU B 566 25.509 0.837 3.049 1.00 0.00 C ATOM 710 O LEU B 566 24.537 0.862 3.805 1.00 0.00 O ATOM 711 CB LEU B 566 24.750 1.328 0.717 1.00 0.00 C ATOM 712 CG LEU B 566 24.438 2.364 -0.363 1.00 0.00 C ATOM 713 CD1 LEU B 566 24.195 1.684 -1.702 1.00 0.00 C ATOM 714 CD2 LEU B 566 23.234 3.205 0.036 1.00 0.00 C ATOM 0 H LEU B 566 27.230 1.469 0.585 1.00 0.00 H new ATOM 0 HA LEU B 566 25.260 2.786 2.212 1.00 0.00 H new ATOM 0 HB2 LEU B 566 25.249 0.481 0.246 1.00 0.00 H new ATOM 0 HB3 LEU B 566 23.807 0.959 1.121 1.00 0.00 H new ATOM 0 HG LEU B 566 25.299 3.024 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU B 566 23.974 2.438 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU B 566 25.085 1.127 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU B 566 23.351 1.000 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU B 566 23.027 3.937 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU B 566 22.366 2.559 0.167 1.00 0.00 H new ATOM 0 HD23 LEU B 566 23.446 3.723 0.972 1.00 0.00 H new ATOM 726 N PHE B 567 26.514 -0.020 3.193 1.00 0.00 N ATOM 727 CA PHE B 567 26.533 -1.003 4.270 1.00 0.00 C ATOM 728 C PHE B 567 26.425 -0.320 5.631 1.00 0.00 C ATOM 729 O PHE B 567 25.516 -0.587 6.416 1.00 0.00 O ATOM 730 CB PHE B 567 27.815 -1.837 4.206 1.00 0.00 C ATOM 731 CG PHE B 567 28.234 -2.395 5.536 1.00 0.00 C ATOM 732 CD1 PHE B 567 27.358 -3.163 6.287 1.00 0.00 C ATOM 733 CD2 PHE B 567 29.503 -2.153 6.034 1.00 0.00 C ATOM 734 CE1 PHE B 567 27.741 -3.677 7.511 1.00 0.00 C ATOM 735 CE2 PHE B 567 29.892 -2.665 7.258 1.00 0.00 C ATOM 736 CZ PHE B 567 29.010 -3.429 7.997 1.00 0.00 C ATOM 0 H PHE B 567 27.326 -0.054 2.577 1.00 0.00 H new ATOM 0 HA PHE B 567 25.673 -1.661 4.143 1.00 0.00 H new ATOM 0 HB2 PHE B 567 27.669 -2.659 3.506 1.00 0.00 H new ATOM 0 HB3 PHE B 567 28.621 -1.220 3.810 1.00 0.00 H new ATOM 0 HD1 PHE B 567 26.365 -3.362 5.911 1.00 0.00 H new ATOM 0 HD2 PHE B 567 30.197 -1.557 5.460 1.00 0.00 H new ATOM 0 HE1 PHE B 567 27.049 -4.272 8.088 1.00 0.00 H new ATOM 0 HE2 PHE B 567 30.884 -2.468 7.636 1.00 0.00 H new ATOM 0 HZ PHE B 567 29.312 -3.832 8.953 1.00 0.00 H new ATOM 746 N PRO B 568 27.376 0.581 5.917 1.00 0.00 N ATOM 747 CA PRO B 568 27.410 1.321 7.182 1.00 0.00 C ATOM 748 C PRO B 568 26.277 2.336 7.291 1.00 0.00 C ATOM 749 O PRO B 568 25.796 2.629 8.387 1.00 0.00 O ATOM 750 CB PRO B 568 28.764 2.034 7.139 1.00 0.00 C ATOM 751 CG PRO B 568 29.078 2.164 5.689 1.00 0.00 C ATOM 752 CD PRO B 568 28.490 0.949 5.027 1.00 0.00 C ATOM 0 HA PRO B 568 27.286 0.663 8.042 1.00 0.00 H new ATOM 0 HB2 PRO B 568 28.713 3.010 7.622 1.00 0.00 H new ATOM 0 HB3 PRO B 568 29.530 1.460 7.660 1.00 0.00 H new ATOM 0 HG2 PRO B 568 28.650 3.078 5.278 1.00 0.00 H new ATOM 0 HG3 PRO B 568 30.155 2.215 5.526 1.00 0.00 H new ATOM 0 HD2 PRO B 568 28.142 1.170 4.018 1.00 0.00 H new ATOM 0 HD3 PRO B 568 29.220 0.144 4.943 1.00 0.00 H new ATOM 760 N LEU B 569 25.854 2.868 6.150 1.00 0.00 N ATOM 761 CA LEU B 569 24.776 3.851 6.117 1.00 0.00 C ATOM 762 C LEU B 569 23.484 3.259 6.672 1.00 0.00 C ATOM 763 O LEU B 569 22.921 3.771 7.639 1.00 0.00 O ATOM 764 CB LEU B 569 24.552 4.344 4.687 1.00 0.00 C ATOM 765 CG LEU B 569 25.589 5.330 4.147 1.00 0.00 C ATOM 766 CD1 LEU B 569 25.464 5.463 2.638 1.00 0.00 C ATOM 767 CD2 LEU B 569 25.434 6.687 4.818 1.00 0.00 C ATOM 0 H LEU B 569 26.241 2.636 5.235 1.00 0.00 H new ATOM 0 HA LEU B 569 25.067 4.695 6.743 1.00 0.00 H new ATOM 0 HB2 LEU B 569 24.524 3.478 4.026 1.00 0.00 H new ATOM 0 HB3 LEU B 569 23.571 4.815 4.636 1.00 0.00 H new ATOM 0 HG LEU B 569 26.582 4.944 4.376 1.00 0.00 H new ATOM 0 HD11 LEU B 569 26.210 6.169 2.272 1.00 0.00 H new ATOM 0 HD12 LEU B 569 25.625 4.491 2.172 1.00 0.00 H new ATOM 0 HD13 LEU B 569 24.467 5.825 2.386 1.00 0.00 H new ATOM 0 HD21 LEU B 569 26.180 7.376 4.422 1.00 0.00 H new ATOM 0 HD22 LEU B 569 24.436 7.079 4.620 1.00 0.00 H new ATOM 0 HD23 LEU B 569 25.575 6.579 5.894 1.00 0.00 H new ATOM 779 N ILE B 570 23.021 2.178 6.053 1.00 0.00 N ATOM 780 CA ILE B 570 21.797 1.516 6.487 1.00 0.00 C ATOM 781 C ILE B 570 22.029 0.713 7.762 1.00 0.00 C ATOM 782 O ILE B 570 21.084 0.376 8.475 1.00 0.00 O ATOM 783 CB ILE B 570 21.248 0.578 5.396 1.00 0.00 C ATOM 784 CG1 ILE B 570 21.001 1.355 4.101 1.00 0.00 C ATOM 785 CG2 ILE B 570 19.967 -0.093 5.870 1.00 0.00 C ATOM 786 CD1 ILE B 570 21.356 0.579 2.853 1.00 0.00 C ATOM 0 H ILE B 570 23.475 1.742 5.250 1.00 0.00 H new ATOM 0 HA ILE B 570 21.066 2.300 6.682 1.00 0.00 H new ATOM 0 HB ILE B 570 21.989 -0.196 5.197 1.00 0.00 H new ATOM 0 HG12 ILE B 570 19.950 1.642 4.054 1.00 0.00 H new ATOM 0 HG13 ILE B 570 21.582 2.277 4.123 1.00 0.00 H new ATOM 0 HG21 ILE B 570 19.591 -0.753 5.088 1.00 0.00 H new ATOM 0 HG22 ILE B 570 20.172 -0.675 6.768 1.00 0.00 H new ATOM 0 HG23 ILE B 570 19.219 0.668 6.093 1.00 0.00 H new ATOM 0 HD11 ILE B 570 21.155 1.192 1.974 1.00 0.00 H new ATOM 0 HD12 ILE B 570 22.413 0.315 2.877 1.00 0.00 H new ATOM 0 HD13 ILE B 570 20.756 -0.330 2.807 1.00 0.00 H new ATOM 798 N GLN B 571 23.293 0.411 8.043 1.00 0.00 N ATOM 799 CA GLN B 571 23.649 -0.352 9.234 1.00 0.00 C ATOM 800 C GLN B 571 23.154 0.347 10.496 1.00 0.00 C ATOM 801 O GLN B 571 23.006 -0.278 11.546 1.00 0.00 O ATOM 802 CB GLN B 571 25.164 -0.548 9.305 1.00 0.00 C ATOM 803 CG GLN B 571 25.659 -0.967 10.680 1.00 0.00 C ATOM 804 CD GLN B 571 26.920 -1.806 10.616 1.00 0.00 C ATOM 805 OE1 GLN B 571 26.886 -2.967 10.206 1.00 0.00 O ATOM 806 NE2 GLN B 571 28.041 -1.223 11.022 1.00 0.00 N ATOM 0 H GLN B 571 24.087 0.683 7.463 1.00 0.00 H new ATOM 0 HA GLN B 571 23.167 -1.327 9.169 1.00 0.00 H new ATOM 0 HB2 GLN B 571 25.459 -1.303 8.576 1.00 0.00 H new ATOM 0 HB3 GLN B 571 25.656 0.381 9.018 1.00 0.00 H new ATOM 0 HG2 GLN B 571 25.849 -0.077 11.280 1.00 0.00 H new ATOM 0 HG3 GLN B 571 24.877 -1.532 11.187 1.00 0.00 H new ATOM 0 HE21 GLN B 571 28.023 -0.259 11.354 1.00 0.00 H new ATOM 0 HE22 GLN B 571 28.921 -1.739 11.002 1.00 0.00 H new ATOM 815 N ALA B 572 22.901 1.647 10.386 1.00 0.00 N ATOM 816 CA ALA B 572 22.422 2.430 11.518 1.00 0.00 C ATOM 817 C ALA B 572 20.900 2.390 11.609 1.00 0.00 C ATOM 818 O ALA B 572 20.298 3.107 12.407 1.00 0.00 O ATOM 819 CB ALA B 572 22.908 3.868 11.408 1.00 0.00 C ATOM 0 H ALA B 572 23.020 2.180 9.524 1.00 0.00 H new ATOM 0 HA ALA B 572 22.826 1.990 12.430 1.00 0.00 H new ATOM 0 HB1 ALA B 572 22.543 4.442 12.260 1.00 0.00 H new ATOM 0 HB2 ALA B 572 23.998 3.884 11.400 1.00 0.00 H new ATOM 0 HB3 ALA B 572 22.532 4.310 10.485 1.00 0.00 H new ATOM 825 N MET B 573 20.285 1.548 10.785 1.00 0.00 N ATOM 826 CA MET B 573 18.833 1.415 10.773 1.00 0.00 C ATOM 827 C MET B 573 18.423 -0.052 10.685 1.00 0.00 C ATOM 828 O MET B 573 17.732 -0.567 11.565 1.00 0.00 O ATOM 829 CB MET B 573 18.237 2.194 9.599 1.00 0.00 C ATOM 830 CG MET B 573 18.867 3.563 9.396 1.00 0.00 C ATOM 831 SD MET B 573 17.815 4.678 8.447 1.00 0.00 S ATOM 832 CE MET B 573 18.438 4.403 6.791 1.00 0.00 C ATOM 0 H MET B 573 20.769 0.948 10.117 1.00 0.00 H new ATOM 0 HA MET B 573 18.448 1.827 11.706 1.00 0.00 H new ATOM 0 HB2 MET B 573 18.357 1.609 8.687 1.00 0.00 H new ATOM 0 HB3 MET B 573 17.166 2.316 9.761 1.00 0.00 H new ATOM 0 HG2 MET B 573 19.079 4.009 10.368 1.00 0.00 H new ATOM 0 HG3 MET B 573 19.822 3.447 8.884 1.00 0.00 H new ATOM 0 HE1 MET B 573 17.885 5.025 6.086 1.00 0.00 H new ATOM 0 HE2 MET B 573 19.496 4.663 6.752 1.00 0.00 H new ATOM 0 HE3 MET B 573 18.313 3.353 6.525 1.00 0.00 H new ATOM 842 N HIS B 574 18.852 -0.719 9.619 1.00 0.00 N ATOM 843 CA HIS B 574 18.528 -2.127 9.417 1.00 0.00 C ATOM 844 C HIS B 574 19.792 -2.944 9.166 1.00 0.00 C ATOM 845 O HIS B 574 20.020 -3.459 8.071 1.00 0.00 O ATOM 846 CB HIS B 574 17.562 -2.287 8.243 1.00 0.00 C ATOM 847 CG HIS B 574 16.323 -1.455 8.370 1.00 0.00 C ATOM 848 ND1 HIS B 574 16.119 -0.134 8.159 1.00 0.00 N flip ATOM 849 CD2 HIS B 574 15.105 -1.973 8.758 1.00 0.00 C flip ATOM 850 CE1 HIS B 574 14.794 0.120 8.419 1.00 0.00 C flip ATOM 851 NE2 HIS B 574 14.205 -1.006 8.778 1.00 0.00 N flip ATOM 0 H HIS B 574 19.425 -0.308 8.882 1.00 0.00 H new ATOM 0 HA HIS B 574 18.050 -2.498 10.324 1.00 0.00 H new ATOM 0 HB2 HIS B 574 18.077 -2.019 7.320 1.00 0.00 H new ATOM 0 HB3 HIS B 574 17.278 -3.336 8.157 1.00 0.00 H new ATOM 0 HD2 HIS B 574 14.917 -3.007 9.007 1.00 0.00 H new ATOM 0 HE1 HIS B 574 14.313 1.084 8.342 1.00 0.00 H new ATOM 0 HE2 HIS B 574 13.222 -1.111 9.028 1.00 0.00 H new ATOM 859 N PRO B 575 20.634 -3.067 10.202 1.00 0.00 N ATOM 860 CA PRO B 575 21.889 -3.820 10.118 1.00 0.00 C ATOM 861 C PRO B 575 21.657 -5.322 10.003 1.00 0.00 C ATOM 862 O PRO B 575 22.511 -6.057 9.505 1.00 0.00 O ATOM 863 CB PRO B 575 22.592 -3.487 11.437 1.00 0.00 C ATOM 864 CG PRO B 575 21.490 -3.134 12.375 1.00 0.00 C ATOM 865 CD PRO B 575 20.426 -2.480 11.537 1.00 0.00 C ATOM 0 HA PRO B 575 22.466 -3.553 9.233 1.00 0.00 H new ATOM 0 HB2 PRO B 575 23.168 -4.337 11.804 1.00 0.00 H new ATOM 0 HB3 PRO B 575 23.289 -2.658 11.316 1.00 0.00 H new ATOM 0 HG2 PRO B 575 21.103 -4.022 12.874 1.00 0.00 H new ATOM 0 HG3 PRO B 575 21.843 -2.459 13.155 1.00 0.00 H new ATOM 0 HD2 PRO B 575 19.427 -2.693 11.918 1.00 0.00 H new ATOM 0 HD3 PRO B 575 20.537 -1.396 11.521 1.00 0.00 H new ATOM 873 N THR B 576 20.496 -5.774 10.466 1.00 0.00 N ATOM 874 CA THR B 576 20.152 -7.190 10.415 1.00 0.00 C ATOM 875 C THR B 576 20.336 -7.750 9.010 1.00 0.00 C ATOM 876 O THR B 576 20.837 -8.862 8.834 1.00 0.00 O ATOM 877 CB THR B 576 18.698 -7.431 10.865 1.00 0.00 C ATOM 878 OG1 THR B 576 18.461 -6.787 12.122 1.00 0.00 O ATOM 879 CG2 THR B 576 18.410 -8.919 10.989 1.00 0.00 C ATOM 0 H THR B 576 19.778 -5.180 10.881 1.00 0.00 H new ATOM 0 HA THR B 576 20.827 -7.704 11.099 1.00 0.00 H new ATOM 0 HB THR B 576 18.033 -7.010 10.111 1.00 0.00 H new ATOM 0 HG1 THR B 576 17.534 -6.943 12.400 1.00 0.00 H new ATOM 0 HG21 THR B 576 17.378 -9.064 11.308 1.00 0.00 H new ATOM 0 HG22 THR B 576 18.563 -9.401 10.023 1.00 0.00 H new ATOM 0 HG23 THR B 576 19.083 -9.360 11.725 1.00 0.00 H new ATOM 887 N LEU B 577 19.930 -6.975 8.010 1.00 0.00 N ATOM 888 CA LEU B 577 20.051 -7.395 6.618 1.00 0.00 C ATOM 889 C LEU B 577 20.478 -6.228 5.733 1.00 0.00 C ATOM 890 O LEU B 577 20.065 -6.129 4.578 1.00 0.00 O ATOM 891 CB LEU B 577 18.724 -7.969 6.120 1.00 0.00 C ATOM 892 CG LEU B 577 17.902 -8.748 7.147 1.00 0.00 C ATOM 893 CD1 LEU B 577 16.963 -7.817 7.898 1.00 0.00 C ATOM 894 CD2 LEU B 577 17.119 -9.864 6.469 1.00 0.00 C ATOM 0 H LEU B 577 19.514 -6.052 8.137 1.00 0.00 H new ATOM 0 HA LEU B 577 20.817 -8.169 6.563 1.00 0.00 H new ATOM 0 HB2 LEU B 577 18.114 -7.148 5.744 1.00 0.00 H new ATOM 0 HB3 LEU B 577 18.930 -8.626 5.275 1.00 0.00 H new ATOM 0 HG LEU B 577 18.587 -9.197 7.866 1.00 0.00 H new ATOM 0 HD11 LEU B 577 16.387 -8.390 8.624 1.00 0.00 H new ATOM 0 HD12 LEU B 577 17.544 -7.054 8.416 1.00 0.00 H new ATOM 0 HD13 LEU B 577 16.284 -7.338 7.192 1.00 0.00 H new ATOM 0 HD21 LEU B 577 16.540 -10.408 7.215 1.00 0.00 H new ATOM 0 HD22 LEU B 577 16.444 -9.436 5.727 1.00 0.00 H new ATOM 0 HD23 LEU B 577 17.811 -10.548 5.978 1.00 0.00 H new ATOM 906 N ALA B 578 21.309 -5.348 6.283 1.00 0.00 N ATOM 907 CA ALA B 578 21.795 -4.191 5.542 1.00 0.00 C ATOM 908 C ALA B 578 22.329 -4.600 4.173 1.00 0.00 C ATOM 909 O ALA B 578 21.924 -4.051 3.149 1.00 0.00 O ATOM 910 CB ALA B 578 22.874 -3.471 6.337 1.00 0.00 C ATOM 0 H ALA B 578 21.659 -5.415 7.239 1.00 0.00 H new ATOM 0 HA ALA B 578 20.957 -3.511 5.388 1.00 0.00 H new ATOM 0 HB1 ALA B 578 23.228 -2.609 5.772 1.00 0.00 H new ATOM 0 HB2 ALA B 578 22.462 -3.136 7.289 1.00 0.00 H new ATOM 0 HB3 ALA B 578 23.706 -4.151 6.520 1.00 0.00 H new ATOM 916 N GLY B 579 23.241 -5.568 4.163 1.00 0.00 N ATOM 917 CA GLY B 579 23.815 -6.033 2.915 1.00 0.00 C ATOM 918 C GLY B 579 22.762 -6.509 1.934 1.00 0.00 C ATOM 919 O GLY B 579 22.849 -6.235 0.736 1.00 0.00 O ATOM 0 H GLY B 579 23.592 -6.038 4.997 1.00 0.00 H new ATOM 0 HA2 GLY B 579 24.392 -5.227 2.461 1.00 0.00 H new ATOM 0 HA3 GLY B 579 24.511 -6.847 3.120 1.00 0.00 H new ATOM 923 N LYS B 580 21.765 -7.225 2.440 1.00 0.00 N ATOM 924 CA LYS B 580 20.690 -7.742 1.601 1.00 0.00 C ATOM 925 C LYS B 580 19.932 -6.603 0.925 1.00 0.00 C ATOM 926 O LYS B 580 19.897 -6.512 -0.302 1.00 0.00 O ATOM 927 CB LYS B 580 19.724 -8.586 2.436 1.00 0.00 C ATOM 928 CG LYS B 580 18.862 -9.522 1.607 1.00 0.00 C ATOM 929 CD LYS B 580 17.480 -8.939 1.364 1.00 0.00 C ATOM 930 CE LYS B 580 16.566 -9.154 2.561 1.00 0.00 C ATOM 931 NZ LYS B 580 15.954 -10.511 2.555 1.00 0.00 N ATOM 0 H LYS B 580 21.678 -7.461 3.428 1.00 0.00 H new ATOM 0 HA LYS B 580 21.135 -8.368 0.828 1.00 0.00 H new ATOM 0 HB2 LYS B 580 20.296 -9.173 3.155 1.00 0.00 H new ATOM 0 HB3 LYS B 580 19.077 -7.922 3.009 1.00 0.00 H new ATOM 0 HG2 LYS B 580 19.349 -9.716 0.651 1.00 0.00 H new ATOM 0 HG3 LYS B 580 18.769 -10.480 2.118 1.00 0.00 H new ATOM 0 HD2 LYS B 580 17.565 -7.872 1.157 1.00 0.00 H new ATOM 0 HD3 LYS B 580 17.039 -9.401 0.481 1.00 0.00 H new ATOM 0 HE2 LYS B 580 17.134 -9.016 3.481 1.00 0.00 H new ATOM 0 HE3 LYS B 580 15.778 -8.400 2.556 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 15.089 -10.504 3.132 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 15.717 -10.781 1.579 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 16.628 -11.198 2.950 1.00 0.00 H new ATOM 945 N ILE B 581 19.330 -5.737 1.733 1.00 0.00 N ATOM 946 CA ILE B 581 18.576 -4.604 1.213 1.00 0.00 C ATOM 947 C ILE B 581 19.463 -3.695 0.368 1.00 0.00 C ATOM 948 O ILE B 581 18.990 -3.025 -0.550 1.00 0.00 O ATOM 949 CB ILE B 581 17.946 -3.776 2.349 1.00 0.00 C ATOM 950 CG1 ILE B 581 19.022 -3.334 3.343 1.00 0.00 C ATOM 951 CG2 ILE B 581 16.864 -4.581 3.053 1.00 0.00 C ATOM 952 CD1 ILE B 581 18.462 -2.852 4.663 1.00 0.00 C ATOM 0 H ILE B 581 19.350 -5.799 2.751 1.00 0.00 H new ATOM 0 HA ILE B 581 17.781 -5.014 0.590 1.00 0.00 H new ATOM 0 HB ILE B 581 17.487 -2.885 1.920 1.00 0.00 H new ATOM 0 HG12 ILE B 581 19.700 -4.168 3.527 1.00 0.00 H new ATOM 0 HG13 ILE B 581 19.613 -2.536 2.895 1.00 0.00 H new ATOM 0 HG21 ILE B 581 16.428 -3.983 3.853 1.00 0.00 H new ATOM 0 HG22 ILE B 581 16.087 -4.851 2.337 1.00 0.00 H new ATOM 0 HG23 ILE B 581 17.300 -5.487 3.474 1.00 0.00 H new ATOM 0 HD11 ILE B 581 19.280 -2.555 5.319 1.00 0.00 H new ATOM 0 HD12 ILE B 581 17.807 -1.998 4.490 1.00 0.00 H new ATOM 0 HD13 ILE B 581 17.894 -3.655 5.133 1.00 0.00 H new ATOM 964 N THR B 582 20.754 -3.678 0.684 1.00 0.00 N ATOM 965 CA THR B 582 21.709 -2.853 -0.045 1.00 0.00 C ATOM 966 C THR B 582 21.894 -3.357 -1.472 1.00 0.00 C ATOM 967 O THR B 582 21.909 -2.573 -2.420 1.00 0.00 O ATOM 968 CB THR B 582 23.079 -2.823 0.659 1.00 0.00 C ATOM 969 OG1 THR B 582 22.983 -2.090 1.885 1.00 0.00 O ATOM 970 CG2 THR B 582 24.133 -2.188 -0.236 1.00 0.00 C ATOM 0 H THR B 582 21.162 -4.227 1.441 1.00 0.00 H new ATOM 0 HA THR B 582 21.300 -1.843 -0.069 1.00 0.00 H new ATOM 0 HB THR B 582 23.376 -3.850 0.872 1.00 0.00 H new ATOM 0 HG1 THR B 582 22.795 -2.708 2.622 1.00 0.00 H new ATOM 0 HG21 THR B 582 25.092 -2.178 0.282 1.00 0.00 H new ATOM 0 HG22 THR B 582 24.224 -2.765 -1.157 1.00 0.00 H new ATOM 0 HG23 THR B 582 23.839 -1.166 -0.476 1.00 0.00 H new ATOM 978 N GLY B 583 22.035 -4.671 -1.617 1.00 0.00 N ATOM 979 CA GLY B 583 22.217 -5.257 -2.932 1.00 0.00 C ATOM 980 C GLY B 583 21.103 -4.887 -3.891 1.00 0.00 C ATOM 981 O GLY B 583 21.357 -4.542 -5.045 1.00 0.00 O ATOM 0 H GLY B 583 22.026 -5.340 -0.847 1.00 0.00 H new ATOM 0 HA2 GLY B 583 23.171 -4.928 -3.344 1.00 0.00 H new ATOM 0 HA3 GLY B 583 22.267 -6.342 -2.839 1.00 0.00 H new ATOM 985 N MET B 584 19.865 -4.959 -3.413 1.00 0.00 N ATOM 986 CA MET B 584 18.708 -4.629 -4.237 1.00 0.00 C ATOM 987 C MET B 584 18.638 -3.128 -4.501 1.00 0.00 C ATOM 988 O MET B 584 18.435 -2.695 -5.636 1.00 0.00 O ATOM 989 CB MET B 584 17.420 -5.099 -3.558 1.00 0.00 C ATOM 990 CG MET B 584 17.455 -6.558 -3.133 1.00 0.00 C ATOM 991 SD MET B 584 17.004 -6.789 -1.403 1.00 0.00 S ATOM 992 CE MET B 584 15.224 -6.619 -1.491 1.00 0.00 C ATOM 0 H MET B 584 19.637 -5.243 -2.460 1.00 0.00 H new ATOM 0 HA MET B 584 18.816 -5.144 -5.192 1.00 0.00 H new ATOM 0 HB2 MET B 584 17.233 -4.478 -2.682 1.00 0.00 H new ATOM 0 HB3 MET B 584 16.583 -4.948 -4.240 1.00 0.00 H new ATOM 0 HG2 MET B 584 16.774 -7.132 -3.762 1.00 0.00 H new ATOM 0 HG3 MET B 584 18.456 -6.957 -3.300 1.00 0.00 H new ATOM 0 HE1 MET B 584 14.758 -7.303 -0.782 1.00 0.00 H new ATOM 0 HE2 MET B 584 14.944 -5.595 -1.246 1.00 0.00 H new ATOM 0 HE3 MET B 584 14.885 -6.856 -2.500 1.00 0.00 H new ATOM 1002 N LEU B 585 18.808 -2.338 -3.446 1.00 0.00 N ATOM 1003 CA LEU B 585 18.765 -0.885 -3.564 1.00 0.00 C ATOM 1004 C LEU B 585 19.796 -0.389 -4.572 1.00 0.00 C ATOM 1005 O LEU B 585 19.458 0.312 -5.528 1.00 0.00 O ATOM 1006 CB LEU B 585 19.014 -0.236 -2.201 1.00 0.00 C ATOM 1007 CG LEU B 585 17.768 0.171 -1.413 1.00 0.00 C ATOM 1008 CD1 LEU B 585 16.949 1.185 -2.197 1.00 0.00 C ATOM 1009 CD2 LEU B 585 16.927 -1.052 -1.077 1.00 0.00 C ATOM 0 H LEU B 585 18.977 -2.679 -2.500 1.00 0.00 H new ATOM 0 HA LEU B 585 17.774 -0.603 -3.919 1.00 0.00 H new ATOM 0 HB2 LEU B 585 19.594 -0.929 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU B 585 19.630 0.650 -2.350 1.00 0.00 H new ATOM 0 HG LEU B 585 18.086 0.636 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU B 585 16.066 1.463 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU B 585 17.553 2.072 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU B 585 16.640 0.747 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU B 585 16.045 -0.744 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU B 585 16.618 -1.545 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU B 585 17.516 -1.744 -0.475 1.00 0.00 H new ATOM 1021 N LEU B 586 21.053 -0.758 -4.355 1.00 0.00 N ATOM 1022 CA LEU B 586 22.134 -0.353 -5.247 1.00 0.00 C ATOM 1023 C LEU B 586 21.935 -0.934 -6.643 1.00 0.00 C ATOM 1024 O LEU B 586 22.434 -0.390 -7.628 1.00 0.00 O ATOM 1025 CB LEU B 586 23.483 -0.803 -4.683 1.00 0.00 C ATOM 1026 CG LEU B 586 23.731 -2.312 -4.659 1.00 0.00 C ATOM 1027 CD1 LEU B 586 24.329 -2.775 -5.978 1.00 0.00 C ATOM 1028 CD2 LEU B 586 24.641 -2.685 -3.498 1.00 0.00 C ATOM 0 H LEU B 586 21.349 -1.337 -3.569 1.00 0.00 H new ATOM 0 HA LEU B 586 22.122 0.734 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU B 586 24.274 -0.334 -5.269 1.00 0.00 H new ATOM 0 HB3 LEU B 586 23.573 -0.424 -3.665 1.00 0.00 H new ATOM 0 HG LEU B 586 22.775 -2.816 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU B 586 24.499 -3.851 -5.943 1.00 0.00 H new ATOM 0 HD12 LEU B 586 23.641 -2.543 -6.791 1.00 0.00 H new ATOM 0 HD13 LEU B 586 25.277 -2.264 -6.147 1.00 0.00 H new ATOM 0 HD21 LEU B 586 24.806 -3.762 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU B 586 25.596 -2.171 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU B 586 24.173 -2.389 -2.559 1.00 0.00 H new ATOM 1040 N GLU B 587 21.201 -2.039 -6.720 1.00 0.00 N ATOM 1041 CA GLU B 587 20.935 -2.692 -7.996 1.00 0.00 C ATOM 1042 C GLU B 587 19.878 -1.927 -8.789 1.00 0.00 C ATOM 1043 O GLU B 587 19.761 -2.089 -10.004 1.00 0.00 O ATOM 1044 CB GLU B 587 20.475 -4.134 -7.771 1.00 0.00 C ATOM 1045 CG GLU B 587 20.010 -4.830 -9.039 1.00 0.00 C ATOM 1046 CD GLU B 587 18.512 -4.721 -9.249 1.00 0.00 C ATOM 1047 OE1 GLU B 587 17.770 -4.754 -8.245 1.00 0.00 O ATOM 1048 OE2 GLU B 587 18.082 -4.603 -10.415 1.00 0.00 O ATOM 0 H GLU B 587 20.780 -2.501 -5.914 1.00 0.00 H new ATOM 0 HA GLU B 587 21.861 -2.700 -8.571 1.00 0.00 H new ATOM 0 HB2 GLU B 587 21.295 -4.704 -7.334 1.00 0.00 H new ATOM 0 HB3 GLU B 587 19.662 -4.138 -7.045 1.00 0.00 H new ATOM 0 HG2 GLU B 587 20.526 -4.397 -9.896 1.00 0.00 H new ATOM 0 HG3 GLU B 587 20.291 -5.882 -8.995 1.00 0.00 H new ATOM 1055 N ILE B 588 19.111 -1.096 -8.091 1.00 0.00 N ATOM 1056 CA ILE B 588 18.064 -0.307 -8.729 1.00 0.00 C ATOM 1057 C ILE B 588 18.602 0.437 -9.946 1.00 0.00 C ATOM 1058 O ILE B 588 18.164 0.203 -11.073 1.00 0.00 O ATOM 1059 CB ILE B 588 17.451 0.711 -7.749 1.00 0.00 C ATOM 1060 CG1 ILE B 588 16.756 -0.015 -6.595 1.00 0.00 C ATOM 1061 CG2 ILE B 588 16.472 1.621 -8.475 1.00 0.00 C ATOM 1062 CD1 ILE B 588 16.189 0.919 -5.548 1.00 0.00 C ATOM 0 H ILE B 588 19.195 -0.952 -7.085 1.00 0.00 H new ATOM 0 HA ILE B 588 17.290 -1.006 -9.046 1.00 0.00 H new ATOM 0 HB ILE B 588 18.252 1.326 -7.338 1.00 0.00 H new ATOM 0 HG12 ILE B 588 15.951 -0.630 -6.996 1.00 0.00 H new ATOM 0 HG13 ILE B 588 17.467 -0.691 -6.120 1.00 0.00 H new ATOM 0 HG21 ILE B 588 16.047 2.335 -7.769 1.00 0.00 H new ATOM 0 HG22 ILE B 588 16.994 2.159 -9.266 1.00 0.00 H new ATOM 0 HG23 ILE B 588 15.673 1.022 -8.911 1.00 0.00 H new ATOM 0 HD11 ILE B 588 15.711 0.336 -4.761 1.00 0.00 H new ATOM 0 HD12 ILE B 588 16.994 1.517 -5.120 1.00 0.00 H new ATOM 0 HD13 ILE B 588 15.453 1.578 -6.009 1.00 0.00 H new ATOM 1074 N ASP B 589 19.554 1.333 -9.712 1.00 0.00 N ATOM 1075 CA ASP B 589 20.155 2.110 -10.791 1.00 0.00 C ATOM 1076 C ASP B 589 21.143 3.133 -10.238 1.00 0.00 C ATOM 1077 O ASP B 589 20.821 3.889 -9.323 1.00 0.00 O ATOM 1078 CB ASP B 589 19.070 2.818 -11.603 1.00 0.00 C ATOM 1079 CG ASP B 589 19.145 2.487 -13.081 1.00 0.00 C ATOM 1080 OD1 ASP B 589 20.076 2.978 -13.753 1.00 0.00 O ATOM 1081 OD2 ASP B 589 18.272 1.737 -13.566 1.00 0.00 O ATOM 0 H ASP B 589 19.927 1.540 -8.785 1.00 0.00 H new ATOM 0 HA ASP B 589 20.696 1.424 -11.443 1.00 0.00 H new ATOM 0 HB2 ASP B 589 18.090 2.535 -11.219 1.00 0.00 H new ATOM 0 HB3 ASP B 589 19.165 3.896 -11.470 1.00 0.00 H new ATOM 1086 N ASN B 590 22.347 3.149 -10.801 1.00 0.00 N ATOM 1087 CA ASN B 590 23.382 4.078 -10.364 1.00 0.00 C ATOM 1088 C ASN B 590 22.969 5.521 -10.635 1.00 0.00 C ATOM 1089 O ASN B 590 23.386 6.441 -9.931 1.00 0.00 O ATOM 1090 CB ASN B 590 24.703 3.772 -11.072 1.00 0.00 C ATOM 1091 CG ASN B 590 25.208 2.373 -10.776 1.00 0.00 C ATOM 1092 OD1 ASN B 590 24.688 1.389 -11.301 1.00 0.00 O ATOM 1093 ND2 ASN B 590 26.227 2.279 -9.929 1.00 0.00 N ATOM 0 H ASN B 590 22.629 2.529 -11.560 1.00 0.00 H new ATOM 0 HA ASN B 590 23.516 3.954 -9.289 1.00 0.00 H new ATOM 0 HB2 ASN B 590 24.571 3.887 -12.148 1.00 0.00 H new ATOM 0 HB3 ASN B 590 25.454 4.499 -10.764 1.00 0.00 H new ATOM 0 HD21 ASN B 590 26.609 1.364 -9.690 1.00 0.00 H new ATOM 0 HD22 ASN B 590 26.627 3.122 -9.517 1.00 0.00 H new ATOM 1100 N SER B 591 22.145 5.712 -11.661 1.00 0.00 N ATOM 1101 CA SER B 591 21.677 7.043 -12.028 1.00 0.00 C ATOM 1102 C SER B 591 20.863 7.664 -10.896 1.00 0.00 C ATOM 1103 O SER B 591 21.139 8.781 -10.461 1.00 0.00 O ATOM 1104 CB SER B 591 20.832 6.977 -13.301 1.00 0.00 C ATOM 1105 OG SER B 591 20.035 8.139 -13.446 1.00 0.00 O ATOM 0 H SER B 591 21.788 4.962 -12.252 1.00 0.00 H new ATOM 0 HA SER B 591 22.550 7.670 -12.212 1.00 0.00 H new ATOM 0 HB2 SER B 591 21.483 6.869 -14.168 1.00 0.00 H new ATOM 0 HB3 SER B 591 20.192 6.095 -13.271 1.00 0.00 H new ATOM 0 HG SER B 591 19.506 8.072 -14.268 1.00 0.00 H new ATOM 1111 N GLU B 592 19.859 6.931 -10.426 1.00 0.00 N ATOM 1112 CA GLU B 592 19.004 7.410 -9.346 1.00 0.00 C ATOM 1113 C GLU B 592 19.764 7.437 -8.023 1.00 0.00 C ATOM 1114 O GLU B 592 19.699 8.414 -7.276 1.00 0.00 O ATOM 1115 CB GLU B 592 17.763 6.525 -9.217 1.00 0.00 C ATOM 1116 CG GLU B 592 16.903 6.496 -10.469 1.00 0.00 C ATOM 1117 CD GLU B 592 15.499 5.990 -10.201 1.00 0.00 C ATOM 1118 OE1 GLU B 592 15.095 5.963 -9.019 1.00 0.00 O ATOM 1119 OE2 GLU B 592 14.805 5.621 -11.171 1.00 0.00 O ATOM 0 H GLU B 592 19.618 6.004 -10.776 1.00 0.00 H new ATOM 0 HA GLU B 592 18.692 8.426 -9.587 1.00 0.00 H new ATOM 0 HB2 GLU B 592 18.075 5.509 -8.977 1.00 0.00 H new ATOM 0 HB3 GLU B 592 17.160 6.879 -8.381 1.00 0.00 H new ATOM 0 HG2 GLU B 592 16.849 7.499 -10.891 1.00 0.00 H new ATOM 0 HG3 GLU B 592 17.378 5.860 -11.217 1.00 0.00 H new ATOM 1126 N LEU B 593 20.482 6.356 -7.738 1.00 0.00 N ATOM 1127 CA LEU B 593 21.254 6.254 -6.504 1.00 0.00 C ATOM 1128 C LEU B 593 22.169 7.462 -6.333 1.00 0.00 C ATOM 1129 O LEU B 593 22.245 8.048 -5.252 1.00 0.00 O ATOM 1130 CB LEU B 593 22.083 4.968 -6.503 1.00 0.00 C ATOM 1131 CG LEU B 593 21.292 3.659 -6.481 1.00 0.00 C ATOM 1132 CD1 LEU B 593 22.103 2.535 -7.107 1.00 0.00 C ATOM 1133 CD2 LEU B 593 20.891 3.302 -5.057 1.00 0.00 C ATOM 0 H LEU B 593 20.546 5.538 -8.344 1.00 0.00 H new ATOM 0 HA LEU B 593 20.555 6.229 -5.668 1.00 0.00 H new ATOM 0 HB2 LEU B 593 22.720 4.969 -7.388 1.00 0.00 H new ATOM 0 HB3 LEU B 593 22.742 4.985 -5.635 1.00 0.00 H new ATOM 0 HG LEU B 593 20.384 3.795 -7.069 1.00 0.00 H new ATOM 0 HD11 LEU B 593 21.524 1.612 -7.083 1.00 0.00 H new ATOM 0 HD12 LEU B 593 22.339 2.788 -8.141 1.00 0.00 H new ATOM 0 HD13 LEU B 593 23.028 2.398 -6.547 1.00 0.00 H new ATOM 0 HD21 LEU B 593 20.329 2.368 -5.061 1.00 0.00 H new ATOM 0 HD22 LEU B 593 21.786 3.185 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU B 593 20.271 4.097 -4.644 1.00 0.00 H new ATOM 1145 N LEU B 594 22.860 7.831 -7.405 1.00 0.00 N ATOM 1146 CA LEU B 594 23.769 8.972 -7.374 1.00 0.00 C ATOM 1147 C LEU B 594 23.084 10.197 -6.777 1.00 0.00 C ATOM 1148 O LEU B 594 23.715 10.998 -6.086 1.00 0.00 O ATOM 1149 CB LEU B 594 24.268 9.290 -8.785 1.00 0.00 C ATOM 1150 CG LEU B 594 25.525 8.544 -9.236 1.00 0.00 C ATOM 1151 CD1 LEU B 594 25.882 8.917 -10.667 1.00 0.00 C ATOM 1152 CD2 LEU B 594 26.687 8.843 -8.300 1.00 0.00 C ATOM 0 H LEU B 594 22.809 7.357 -8.307 1.00 0.00 H new ATOM 0 HA LEU B 594 24.620 8.711 -6.745 1.00 0.00 H new ATOM 0 HB2 LEU B 594 23.467 9.070 -9.490 1.00 0.00 H new ATOM 0 HB3 LEU B 594 24.463 10.361 -8.847 1.00 0.00 H new ATOM 0 HG LEU B 594 25.322 7.474 -9.201 1.00 0.00 H new ATOM 0 HD11 LEU B 594 26.779 8.377 -10.971 1.00 0.00 H new ATOM 0 HD12 LEU B 594 25.057 8.652 -11.329 1.00 0.00 H new ATOM 0 HD13 LEU B 594 26.066 9.990 -10.728 1.00 0.00 H new ATOM 0 HD21 LEU B 594 27.573 8.304 -8.636 1.00 0.00 H new ATOM 0 HD22 LEU B 594 26.891 9.914 -8.303 1.00 0.00 H new ATOM 0 HD23 LEU B 594 26.431 8.526 -7.289 1.00 0.00 H new ATOM 1164 N HIS B 595 21.790 10.336 -7.047 1.00 0.00 N ATOM 1165 CA HIS B 595 21.019 11.463 -6.533 1.00 0.00 C ATOM 1166 C HIS B 595 20.458 11.151 -5.149 1.00 0.00 C ATOM 1167 O HIS B 595 20.241 12.053 -4.340 1.00 0.00 O ATOM 1168 CB HIS B 595 19.879 11.807 -7.492 1.00 0.00 C ATOM 1169 CG HIS B 595 19.385 13.214 -7.355 1.00 0.00 C ATOM 1170 ND1 HIS B 595 18.232 13.544 -6.673 1.00 0.00 N ATOM 1171 CD2 HIS B 595 19.895 14.381 -7.814 1.00 0.00 C ATOM 1172 CE1 HIS B 595 18.054 14.852 -6.721 1.00 0.00 C ATOM 1173 NE2 HIS B 595 19.049 15.383 -7.407 1.00 0.00 N ATOM 0 H HIS B 595 21.253 9.683 -7.618 1.00 0.00 H new ATOM 0 HA HIS B 595 21.686 12.321 -6.450 1.00 0.00 H new ATOM 0 HB2 HIS B 595 20.216 11.647 -8.516 1.00 0.00 H new ATOM 0 HB3 HIS B 595 19.050 11.121 -7.319 1.00 0.00 H new ATOM 0 HD2 HIS B 595 20.799 14.501 -8.393 1.00 0.00 H new ATOM 0 HE1 HIS B 595 17.234 15.395 -6.275 1.00 0.00 H new ATOM 0 HE2 HIS B 595 19.170 16.377 -7.603 1.00 0.00 H new ATOM 1181 N MET B 596 20.226 9.870 -4.884 1.00 0.00 N ATOM 1182 CA MET B 596 19.691 9.440 -3.597 1.00 0.00 C ATOM 1183 C MET B 596 20.712 9.655 -2.485 1.00 0.00 C ATOM 1184 O MET B 596 20.351 9.799 -1.316 1.00 0.00 O ATOM 1185 CB MET B 596 19.285 7.966 -3.656 1.00 0.00 C ATOM 1186 CG MET B 596 17.987 7.723 -4.409 1.00 0.00 C ATOM 1187 SD MET B 596 16.965 6.452 -3.639 1.00 0.00 S ATOM 1188 CE MET B 596 18.198 5.208 -3.263 1.00 0.00 C ATOM 0 H MET B 596 20.400 9.111 -5.543 1.00 0.00 H new ATOM 0 HA MET B 596 18.810 10.043 -3.378 1.00 0.00 H new ATOM 0 HB2 MET B 596 20.083 7.396 -4.132 1.00 0.00 H new ATOM 0 HB3 MET B 596 19.183 7.585 -2.640 1.00 0.00 H new ATOM 0 HG2 MET B 596 17.423 8.654 -4.463 1.00 0.00 H new ATOM 0 HG3 MET B 596 18.215 7.429 -5.433 1.00 0.00 H new ATOM 0 HE1 MET B 596 17.869 4.242 -3.646 1.00 0.00 H new ATOM 0 HE2 MET B 596 19.144 5.481 -3.731 1.00 0.00 H new ATOM 0 HE3 MET B 596 18.332 5.143 -2.183 1.00 0.00 H new ATOM 1198 N LEU B 597 21.988 9.674 -2.855 1.00 0.00 N ATOM 1199 CA LEU B 597 23.062 9.870 -1.888 1.00 0.00 C ATOM 1200 C LEU B 597 22.775 11.071 -0.991 1.00 0.00 C ATOM 1201 O LEU B 597 22.936 11.000 0.226 1.00 0.00 O ATOM 1202 CB LEU B 597 24.396 10.067 -2.611 1.00 0.00 C ATOM 1203 CG LEU B 597 24.708 9.069 -3.726 1.00 0.00 C ATOM 1204 CD1 LEU B 597 26.141 9.239 -4.209 1.00 0.00 C ATOM 1205 CD2 LEU B 597 24.470 7.644 -3.249 1.00 0.00 C ATOM 0 H LEU B 597 22.304 9.556 -3.818 1.00 0.00 H new ATOM 0 HA LEU B 597 23.122 8.979 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU B 597 24.412 11.071 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU B 597 25.197 10.019 -1.873 1.00 0.00 H new ATOM 0 HG LEU B 597 24.038 9.267 -4.563 1.00 0.00 H new ATOM 0 HD11 LEU B 597 26.345 8.520 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU B 597 26.279 10.250 -4.591 1.00 0.00 H new ATOM 0 HD13 LEU B 597 26.827 9.068 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU B 597 24.697 6.947 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU B 597 25.115 7.434 -2.396 1.00 0.00 H new ATOM 0 HD23 LEU B 597 23.427 7.529 -2.953 1.00 0.00 H new ATOM 1217 N GLU B 598 22.346 12.170 -1.603 1.00 0.00 N ATOM 1218 CA GLU B 598 22.035 13.385 -0.859 1.00 0.00 C ATOM 1219 C GLU B 598 20.527 13.611 -0.792 1.00 0.00 C ATOM 1220 O GLU B 598 20.065 14.737 -0.609 1.00 0.00 O ATOM 1221 CB GLU B 598 22.715 14.594 -1.505 1.00 0.00 C ATOM 1222 CG GLU B 598 22.112 14.989 -2.842 1.00 0.00 C ATOM 1223 CD GLU B 598 23.105 15.695 -3.745 1.00 0.00 C ATOM 1224 OE1 GLU B 598 23.443 16.862 -3.456 1.00 0.00 O ATOM 1225 OE2 GLU B 598 23.543 15.080 -4.739 1.00 0.00 O ATOM 0 H GLU B 598 22.206 12.244 -2.611 1.00 0.00 H new ATOM 0 HA GLU B 598 22.413 13.265 0.156 1.00 0.00 H new ATOM 0 HB2 GLU B 598 22.653 15.442 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU B 598 23.773 14.374 -1.644 1.00 0.00 H new ATOM 0 HG2 GLU B 598 21.739 14.097 -3.346 1.00 0.00 H new ATOM 0 HG3 GLU B 598 21.255 15.641 -2.671 1.00 0.00 H new ATOM 1232 N SER B 599 19.766 12.532 -0.943 1.00 0.00 N ATOM 1233 CA SER B 599 18.310 12.613 -0.905 1.00 0.00 C ATOM 1234 C SER B 599 17.754 11.833 0.283 1.00 0.00 C ATOM 1235 O SER B 599 17.296 10.698 0.154 1.00 0.00 O ATOM 1236 CB SER B 599 17.714 12.074 -2.207 1.00 0.00 C ATOM 1237 OG SER B 599 16.445 12.650 -2.464 1.00 0.00 O ATOM 0 H SER B 599 20.133 11.592 -1.093 1.00 0.00 H new ATOM 0 HA SER B 599 18.032 13.661 -0.793 1.00 0.00 H new ATOM 0 HB2 SER B 599 18.389 12.289 -3.036 1.00 0.00 H new ATOM 0 HB3 SER B 599 17.619 10.990 -2.146 1.00 0.00 H new ATOM 0 HG SER B 599 15.773 11.941 -2.540 1.00 0.00 H new ATOM 1243 N PRO B 600 17.795 12.457 1.470 1.00 0.00 N ATOM 1244 CA PRO B 600 17.299 11.842 2.705 1.00 0.00 C ATOM 1245 C PRO B 600 15.781 11.708 2.717 1.00 0.00 C ATOM 1246 O PRO B 600 15.211 11.082 3.610 1.00 0.00 O ATOM 1247 CB PRO B 600 17.760 12.813 3.795 1.00 0.00 C ATOM 1248 CG PRO B 600 17.890 14.125 3.102 1.00 0.00 C ATOM 1249 CD PRO B 600 18.328 13.811 1.698 1.00 0.00 C ATOM 0 HA PRO B 600 17.674 10.827 2.834 1.00 0.00 H new ATOM 0 HB2 PRO B 600 17.038 12.865 4.610 1.00 0.00 H new ATOM 0 HB3 PRO B 600 18.709 12.499 4.230 1.00 0.00 H new ATOM 0 HG2 PRO B 600 16.942 14.663 3.104 1.00 0.00 H new ATOM 0 HG3 PRO B 600 18.618 14.761 3.605 1.00 0.00 H new ATOM 0 HD2 PRO B 600 17.926 14.527 0.982 1.00 0.00 H new ATOM 0 HD3 PRO B 600 19.413 13.838 1.600 1.00 0.00 H new ATOM 1257 N GLU B 601 15.131 12.300 1.719 1.00 0.00 N ATOM 1258 CA GLU B 601 13.677 12.246 1.617 1.00 0.00 C ATOM 1259 C GLU B 601 13.233 11.029 0.811 1.00 0.00 C ATOM 1260 O GLU B 601 12.077 10.613 0.880 1.00 0.00 O ATOM 1261 CB GLU B 601 13.142 13.524 0.968 1.00 0.00 C ATOM 1262 CG GLU B 601 13.471 13.639 -0.511 1.00 0.00 C ATOM 1263 CD GLU B 601 12.966 14.932 -1.122 1.00 0.00 C ATOM 1264 OE1 GLU B 601 13.000 15.969 -0.427 1.00 0.00 O ATOM 1265 OE2 GLU B 601 12.538 14.908 -2.295 1.00 0.00 O ATOM 0 H GLU B 601 15.588 12.822 0.971 1.00 0.00 H new ATOM 0 HA GLU B 601 13.270 12.161 2.625 1.00 0.00 H new ATOM 0 HB2 GLU B 601 12.060 13.560 1.095 1.00 0.00 H new ATOM 0 HB3 GLU B 601 13.554 14.387 1.491 1.00 0.00 H new ATOM 0 HG2 GLU B 601 14.551 13.575 -0.645 1.00 0.00 H new ATOM 0 HG3 GLU B 601 13.033 12.795 -1.044 1.00 0.00 H new ATOM 1272 N SER B 602 14.161 10.462 0.046 1.00 0.00 N ATOM 1273 CA SER B 602 13.865 9.296 -0.777 1.00 0.00 C ATOM 1274 C SER B 602 14.496 8.039 -0.185 1.00 0.00 C ATOM 1275 O SER B 602 13.891 6.966 -0.188 1.00 0.00 O ATOM 1276 CB SER B 602 14.372 9.510 -2.205 1.00 0.00 C ATOM 1277 OG SER B 602 13.868 10.718 -2.749 1.00 0.00 O ATOM 0 H SER B 602 15.124 10.792 -0.021 1.00 0.00 H new ATOM 0 HA SER B 602 12.783 9.164 -0.799 1.00 0.00 H new ATOM 0 HB2 SER B 602 15.462 9.533 -2.208 1.00 0.00 H new ATOM 0 HB3 SER B 602 14.069 8.671 -2.831 1.00 0.00 H new ATOM 0 HG SER B 602 14.208 10.833 -3.661 1.00 0.00 H new ATOM 1283 N LEU B 603 15.715 8.180 0.323 1.00 0.00 N ATOM 1284 CA LEU B 603 16.430 7.057 0.919 1.00 0.00 C ATOM 1285 C LEU B 603 15.554 6.332 1.936 1.00 0.00 C ATOM 1286 O LEU B 603 15.443 5.106 1.912 1.00 0.00 O ATOM 1287 CB LEU B 603 17.715 7.544 1.592 1.00 0.00 C ATOM 1288 CG LEU B 603 18.572 6.468 2.260 1.00 0.00 C ATOM 1289 CD1 LEU B 603 19.109 5.493 1.224 1.00 0.00 C ATOM 1290 CD2 LEU B 603 19.714 7.104 3.039 1.00 0.00 C ATOM 0 H LEU B 603 16.229 9.061 0.334 1.00 0.00 H new ATOM 0 HA LEU B 603 16.686 6.358 0.123 1.00 0.00 H new ATOM 0 HB2 LEU B 603 18.323 8.052 0.844 1.00 0.00 H new ATOM 0 HB3 LEU B 603 17.449 8.287 2.344 1.00 0.00 H new ATOM 0 HG LEU B 603 17.946 5.914 2.959 1.00 0.00 H new ATOM 0 HD11 LEU B 603 19.716 4.735 1.718 1.00 0.00 H new ATOM 0 HD12 LEU B 603 18.276 5.013 0.710 1.00 0.00 H new ATOM 0 HD13 LEU B 603 19.720 6.032 0.500 1.00 0.00 H new ATOM 0 HD21 LEU B 603 20.314 6.324 3.508 1.00 0.00 H new ATOM 0 HD22 LEU B 603 20.339 7.683 2.360 1.00 0.00 H new ATOM 0 HD23 LEU B 603 19.308 7.761 3.808 1.00 0.00 H new ATOM 1302 N ARG B 604 14.932 7.098 2.826 1.00 0.00 N ATOM 1303 CA ARG B 604 14.065 6.529 3.850 1.00 0.00 C ATOM 1304 C ARG B 604 12.994 5.640 3.224 1.00 0.00 C ATOM 1305 O ARG B 604 12.858 4.470 3.580 1.00 0.00 O ATOM 1306 CB ARG B 604 13.405 7.642 4.667 1.00 0.00 C ATOM 1307 CG ARG B 604 14.397 8.616 5.281 1.00 0.00 C ATOM 1308 CD ARG B 604 15.229 7.952 6.368 1.00 0.00 C ATOM 1309 NE ARG B 604 16.379 8.766 6.750 1.00 0.00 N ATOM 1310 CZ ARG B 604 17.018 8.638 7.907 1.00 0.00 C ATOM 1311 NH1 ARG B 604 16.621 7.734 8.791 1.00 0.00 N ATOM 1312 NH2 ARG B 604 18.057 9.416 8.183 1.00 0.00 N ATOM 0 H ARG B 604 15.012 8.114 2.858 1.00 0.00 H new ATOM 0 HA ARG B 604 14.679 5.918 4.511 1.00 0.00 H new ATOM 0 HB2 ARG B 604 12.717 8.193 4.026 1.00 0.00 H new ATOM 0 HB3 ARG B 604 12.809 7.193 5.462 1.00 0.00 H new ATOM 0 HG2 ARG B 604 15.055 9.005 4.504 1.00 0.00 H new ATOM 0 HG3 ARG B 604 13.861 9.467 5.700 1.00 0.00 H new ATOM 0 HD2 ARG B 604 14.605 7.773 7.243 1.00 0.00 H new ATOM 0 HD3 ARG B 604 15.574 6.979 6.017 1.00 0.00 H new ATOM 0 HE ARG B 604 16.710 9.472 6.092 1.00 0.00 H new ATOM 0 HH11 ARG B 604 15.823 7.134 8.584 1.00 0.00 H new ATOM 0 HH12 ARG B 604 17.114 7.638 9.679 1.00 0.00 H new ATOM 0 HH21 ARG B 604 18.366 10.114 7.506 1.00 0.00 H new ATOM 0 HH22 ARG B 604 18.547 9.316 9.072 1.00 0.00 H new ATOM 1326 N SER B 605 12.237 6.204 2.288 1.00 0.00 N ATOM 1327 CA SER B 605 11.176 5.465 1.615 1.00 0.00 C ATOM 1328 C SER B 605 11.702 4.146 1.058 1.00 0.00 C ATOM 1329 O SER B 605 11.099 3.090 1.254 1.00 0.00 O ATOM 1330 CB SER B 605 10.577 6.306 0.486 1.00 0.00 C ATOM 1331 OG SER B 605 9.768 7.349 1.001 1.00 0.00 O ATOM 0 H SER B 605 12.339 7.171 1.979 1.00 0.00 H new ATOM 0 HA SER B 605 10.399 5.246 2.347 1.00 0.00 H new ATOM 0 HB2 SER B 605 11.378 6.729 -0.121 1.00 0.00 H new ATOM 0 HB3 SER B 605 9.982 5.670 -0.169 1.00 0.00 H new ATOM 0 HG SER B 605 9.398 7.873 0.260 1.00 0.00 H new ATOM 1337 N LYS B 606 12.831 4.214 0.361 1.00 0.00 N ATOM 1338 CA LYS B 606 13.442 3.026 -0.225 1.00 0.00 C ATOM 1339 C LYS B 606 13.668 1.952 0.834 1.00 0.00 C ATOM 1340 O LYS B 606 13.171 0.832 0.714 1.00 0.00 O ATOM 1341 CB LYS B 606 14.771 3.388 -0.892 1.00 0.00 C ATOM 1342 CG LYS B 606 14.696 3.438 -2.409 1.00 0.00 C ATOM 1343 CD LYS B 606 13.889 4.633 -2.888 1.00 0.00 C ATOM 1344 CE LYS B 606 12.478 4.230 -3.287 1.00 0.00 C ATOM 1345 NZ LYS B 606 11.829 5.259 -4.146 1.00 0.00 N ATOM 0 H LYS B 606 13.342 5.080 0.188 1.00 0.00 H new ATOM 0 HA LYS B 606 12.760 2.631 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS B 606 15.102 4.358 -0.521 1.00 0.00 H new ATOM 0 HB3 LYS B 606 15.526 2.659 -0.598 1.00 0.00 H new ATOM 0 HG2 LYS B 606 15.703 3.489 -2.823 1.00 0.00 H new ATOM 0 HG3 LYS B 606 14.244 2.519 -2.782 1.00 0.00 H new ATOM 0 HD2 LYS B 606 13.845 5.383 -2.098 1.00 0.00 H new ATOM 0 HD3 LYS B 606 14.391 5.095 -3.738 1.00 0.00 H new ATOM 0 HE2 LYS B 606 12.509 3.279 -3.819 1.00 0.00 H new ATOM 0 HE3 LYS B 606 11.878 4.074 -2.391 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 10.869 4.947 -4.396 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 11.776 6.160 -3.629 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 12.388 5.390 -5.013 1.00 0.00 H new ATOM 1359 N VAL B 607 14.422 2.301 1.872 1.00 0.00 N ATOM 1360 CA VAL B 607 14.712 1.367 2.954 1.00 0.00 C ATOM 1361 C VAL B 607 13.434 0.732 3.490 1.00 0.00 C ATOM 1362 O VAL B 607 13.376 -0.476 3.718 1.00 0.00 O ATOM 1363 CB VAL B 607 15.452 2.062 4.112 1.00 0.00 C ATOM 1364 CG1 VAL B 607 15.861 1.048 5.170 1.00 0.00 C ATOM 1365 CG2 VAL B 607 16.663 2.820 3.592 1.00 0.00 C ATOM 0 H VAL B 607 14.843 3.223 1.986 1.00 0.00 H new ATOM 0 HA VAL B 607 15.353 0.590 2.538 1.00 0.00 H new ATOM 0 HB VAL B 607 14.774 2.780 4.574 1.00 0.00 H new ATOM 0 HG11 VAL B 607 16.383 1.558 5.980 1.00 0.00 H new ATOM 0 HG12 VAL B 607 14.972 0.555 5.564 1.00 0.00 H new ATOM 0 HG13 VAL B 607 16.522 0.304 4.725 1.00 0.00 H new ATOM 0 HG21 VAL B 607 17.174 3.305 4.424 1.00 0.00 H new ATOM 0 HG22 VAL B 607 17.345 2.124 3.103 1.00 0.00 H new ATOM 0 HG23 VAL B 607 16.340 3.575 2.875 1.00 0.00 H new ATOM 1375 N ASP B 608 12.410 1.555 3.689 1.00 0.00 N ATOM 1376 CA ASP B 608 11.130 1.074 4.197 1.00 0.00 C ATOM 1377 C ASP B 608 10.463 0.139 3.193 1.00 0.00 C ATOM 1378 O ASP B 608 9.860 -0.864 3.571 1.00 0.00 O ATOM 1379 CB ASP B 608 10.205 2.253 4.508 1.00 0.00 C ATOM 1380 CG ASP B 608 8.915 1.816 5.172 1.00 0.00 C ATOM 1381 OD1 ASP B 608 8.022 1.310 4.460 1.00 0.00 O ATOM 1382 OD2 ASP B 608 8.798 1.979 6.404 1.00 0.00 O ATOM 0 H ASP B 608 12.441 2.558 3.506 1.00 0.00 H new ATOM 0 HA ASP B 608 11.318 0.517 5.115 1.00 0.00 H new ATOM 0 HB2 ASP B 608 10.724 2.957 5.158 1.00 0.00 H new ATOM 0 HB3 ASP B 608 9.973 2.783 3.584 1.00 0.00 H new ATOM 1387 N GLU B 609 10.576 0.477 1.912 1.00 0.00 N ATOM 1388 CA GLU B 609 9.982 -0.332 0.854 1.00 0.00 C ATOM 1389 C GLU B 609 10.524 -1.758 0.890 1.00 0.00 C ATOM 1390 O GLU B 609 9.762 -2.723 0.865 1.00 0.00 O ATOM 1391 CB GLU B 609 10.257 0.296 -0.514 1.00 0.00 C ATOM 1392 CG GLU B 609 9.386 1.503 -0.816 1.00 0.00 C ATOM 1393 CD GLU B 609 8.843 1.491 -2.232 1.00 0.00 C ATOM 1394 OE1 GLU B 609 9.573 1.919 -3.151 1.00 0.00 O ATOM 1395 OE2 GLU B 609 7.689 1.054 -2.422 1.00 0.00 O ATOM 0 H GLU B 609 11.073 1.305 1.582 1.00 0.00 H new ATOM 0 HA GLU B 609 8.905 -0.367 1.020 1.00 0.00 H new ATOM 0 HB2 GLU B 609 11.305 0.593 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU B 609 10.102 -0.456 -1.287 1.00 0.00 H new ATOM 0 HG2 GLU B 609 8.554 1.531 -0.112 1.00 0.00 H new ATOM 0 HG3 GLU B 609 9.966 2.413 -0.661 1.00 0.00 H new ATOM 1402 N ALA B 610 11.846 -1.880 0.949 1.00 0.00 N ATOM 1403 CA ALA B 610 12.491 -3.187 0.990 1.00 0.00 C ATOM 1404 C ALA B 610 12.141 -3.932 2.274 1.00 0.00 C ATOM 1405 O ALA B 610 11.604 -5.038 2.235 1.00 0.00 O ATOM 1406 CB ALA B 610 13.999 -3.036 0.859 1.00 0.00 C ATOM 0 H ALA B 610 12.491 -1.090 0.969 1.00 0.00 H new ATOM 0 HA ALA B 610 12.122 -3.773 0.149 1.00 0.00 H new ATOM 0 HB1 ALA B 610 14.467 -4.020 0.891 1.00 0.00 H new ATOM 0 HB2 ALA B 610 14.235 -2.553 -0.089 1.00 0.00 H new ATOM 0 HB3 ALA B 610 14.376 -2.427 1.681 1.00 0.00 H new ATOM 1412 N VAL B 611 12.451 -3.317 3.412 1.00 0.00 N ATOM 1413 CA VAL B 611 12.169 -3.922 4.708 1.00 0.00 C ATOM 1414 C VAL B 611 10.715 -4.370 4.801 1.00 0.00 C ATOM 1415 O VAL B 611 10.406 -5.385 5.424 1.00 0.00 O ATOM 1416 CB VAL B 611 12.468 -2.944 5.860 1.00 0.00 C ATOM 1417 CG1 VAL B 611 12.121 -3.576 7.200 1.00 0.00 C ATOM 1418 CG2 VAL B 611 13.927 -2.512 5.827 1.00 0.00 C ATOM 0 H VAL B 611 12.897 -2.401 3.462 1.00 0.00 H new ATOM 0 HA VAL B 611 12.820 -4.791 4.800 1.00 0.00 H new ATOM 0 HB VAL B 611 11.847 -2.057 5.731 1.00 0.00 H new ATOM 0 HG11 VAL B 611 12.339 -2.871 8.002 1.00 0.00 H new ATOM 0 HG12 VAL B 611 11.061 -3.831 7.219 1.00 0.00 H new ATOM 0 HG13 VAL B 611 12.714 -4.480 7.341 1.00 0.00 H new ATOM 0 HG21 VAL B 611 14.121 -1.821 6.648 1.00 0.00 H new ATOM 0 HG22 VAL B 611 14.568 -3.387 5.931 1.00 0.00 H new ATOM 0 HG23 VAL B 611 14.139 -2.017 4.879 1.00 0.00 H new ATOM 1428 N ALA B 612 9.825 -3.606 4.177 1.00 0.00 N ATOM 1429 CA ALA B 612 8.403 -3.925 4.187 1.00 0.00 C ATOM 1430 C ALA B 612 8.093 -5.079 3.240 1.00 0.00 C ATOM 1431 O ALA B 612 7.212 -5.897 3.508 1.00 0.00 O ATOM 1432 CB ALA B 612 7.584 -2.699 3.813 1.00 0.00 C ATOM 0 H ALA B 612 10.064 -2.761 3.658 1.00 0.00 H new ATOM 0 HA ALA B 612 8.133 -4.235 5.197 1.00 0.00 H new ATOM 0 HB1 ALA B 612 6.524 -2.952 3.825 1.00 0.00 H new ATOM 0 HB2 ALA B 612 7.774 -1.901 4.531 1.00 0.00 H new ATOM 0 HB3 ALA B 612 7.866 -2.364 2.815 1.00 0.00 H new ATOM 1438 N VAL B 613 8.822 -5.140 2.130 1.00 0.00 N ATOM 1439 CA VAL B 613 8.625 -6.195 1.143 1.00 0.00 C ATOM 1440 C VAL B 613 8.845 -7.572 1.759 1.00 0.00 C ATOM 1441 O VAL B 613 8.326 -8.575 1.266 1.00 0.00 O ATOM 1442 CB VAL B 613 9.574 -6.024 -0.058 1.00 0.00 C ATOM 1443 CG1 VAL B 613 10.758 -6.971 0.058 1.00 0.00 C ATOM 1444 CG2 VAL B 613 8.826 -6.250 -1.364 1.00 0.00 C ATOM 0 H VAL B 613 9.554 -4.471 1.892 1.00 0.00 H new ATOM 0 HA VAL B 613 7.595 -6.116 0.796 1.00 0.00 H new ATOM 0 HB VAL B 613 9.955 -5.003 -0.056 1.00 0.00 H new ATOM 0 HG11 VAL B 613 11.417 -6.836 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL B 613 11.307 -6.757 0.975 1.00 0.00 H new ATOM 0 HG13 VAL B 613 10.400 -8.000 0.081 1.00 0.00 H new ATOM 0 HG21 VAL B 613 9.512 -6.125 -2.202 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.415 -7.260 -1.378 1.00 0.00 H new ATOM 0 HG23 VAL B 613 8.015 -5.527 -1.448 1.00 0.00 H new ATOM 1454 N LEU B 614 9.617 -7.614 2.839 1.00 0.00 N ATOM 1455 CA LEU B 614 9.907 -8.870 3.524 1.00 0.00 C ATOM 1456 C LEU B 614 8.677 -9.379 4.269 1.00 0.00 C ATOM 1457 O LEU B 614 8.263 -10.524 4.091 1.00 0.00 O ATOM 1458 CB LEU B 614 11.069 -8.684 4.501 1.00 0.00 C ATOM 1459 CG LEU B 614 11.367 -9.867 5.422 1.00 0.00 C ATOM 1460 CD1 LEU B 614 10.488 -9.815 6.661 1.00 0.00 C ATOM 1461 CD2 LEU B 614 11.171 -11.182 4.681 1.00 0.00 C ATOM 0 H LEU B 614 10.054 -6.794 3.260 1.00 0.00 H new ATOM 0 HA LEU B 614 10.187 -9.609 2.774 1.00 0.00 H new ATOM 0 HB2 LEU B 614 11.968 -8.461 3.927 1.00 0.00 H new ATOM 0 HB3 LEU B 614 10.861 -7.811 5.120 1.00 0.00 H new ATOM 0 HG LEU B 614 12.408 -9.803 5.739 1.00 0.00 H new ATOM 0 HD11 LEU B 614 10.715 -10.665 7.304 1.00 0.00 H new ATOM 0 HD12 LEU B 614 10.678 -8.889 7.203 1.00 0.00 H new ATOM 0 HD13 LEU B 614 9.440 -9.853 6.365 1.00 0.00 H new ATOM 0 HD21 LEU B 614 11.387 -12.013 5.352 1.00 0.00 H new ATOM 0 HD22 LEU B 614 10.140 -11.254 4.335 1.00 0.00 H new ATOM 0 HD23 LEU B 614 11.845 -11.221 3.825 1.00 0.00 H new ATOM 1473 N GLN B 615 8.098 -8.520 5.102 1.00 0.00 N ATOM 1474 CA GLN B 615 6.915 -8.884 5.872 1.00 0.00 C ATOM 1475 C GLN B 615 5.795 -9.366 4.956 1.00 0.00 C ATOM 1476 O GLN B 615 4.964 -10.182 5.352 1.00 0.00 O ATOM 1477 CB GLN B 615 6.434 -7.692 6.701 1.00 0.00 C ATOM 1478 CG GLN B 615 7.544 -7.002 7.476 1.00 0.00 C ATOM 1479 CD GLN B 615 7.065 -6.427 8.795 1.00 0.00 C ATOM 1480 OE1 GLN B 615 5.899 -6.570 9.160 1.00 0.00 O ATOM 1481 NE2 GLN B 615 7.966 -5.771 9.517 1.00 0.00 N ATOM 0 H GLN B 615 8.429 -7.568 5.261 1.00 0.00 H new ATOM 0 HA GLN B 615 7.186 -9.699 6.543 1.00 0.00 H new ATOM 0 HB2 GLN B 615 5.960 -6.967 6.039 1.00 0.00 H new ATOM 0 HB3 GLN B 615 5.670 -8.031 7.401 1.00 0.00 H new ATOM 0 HG2 GLN B 615 8.347 -7.714 7.665 1.00 0.00 H new ATOM 0 HG3 GLN B 615 7.964 -6.202 6.867 1.00 0.00 H new ATOM 0 HE21 GLN B 615 8.923 -5.677 9.176 1.00 0.00 H new ATOM 0 HE22 GLN B 615 7.702 -5.362 10.413 1.00 0.00 H new ATOM 1490 N ALA B 616 5.781 -8.856 3.729 1.00 0.00 N ATOM 1491 CA ALA B 616 4.764 -9.236 2.755 1.00 0.00 C ATOM 1492 C ALA B 616 4.950 -10.680 2.303 1.00 0.00 C ATOM 1493 O ALA B 616 4.004 -11.326 1.851 1.00 0.00 O ATOM 1494 CB ALA B 616 4.803 -8.297 1.558 1.00 0.00 C ATOM 0 H ALA B 616 6.462 -8.179 3.385 1.00 0.00 H new ATOM 0 HA ALA B 616 3.788 -9.156 3.234 1.00 0.00 H new ATOM 0 HB1 ALA B 616 4.039 -8.592 0.839 1.00 0.00 H new ATOM 0 HB2 ALA B 616 4.614 -7.276 1.890 1.00 0.00 H new ATOM 0 HB3 ALA B 616 5.784 -8.349 1.086 1.00 0.00 H new