USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 556 GLN : amide:sc= -0.217 X(o=-0.22,f=0) USER MOD Single : B 558 GLN : amide:sc= -0.275 X(o=-0.28,f=0) USER MOD Single : B 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 560 GLN : amide:sc= -0.0714 K(o=-0.071,f=-0.65) USER MOD Single : B 561 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 571 GLN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : B 573 MET CE :methyl 178:sc= -0.451 (180deg=-0.523) USER MOD Single : B 574 HIS : no HD1:sc= -3.48! C(o=-3.5!,f=-4.3!) USER MOD Single : B 576 THR OG1 : rot 180:sc= 0 USER MOD Single : B 580 LYS NZ :NH3+ 154:sc= -1.25 (180deg=-1.77) USER MOD Single : B 582 THR OG1 : rot 98:sc= 1.23 USER MOD Single : B 584 MET CE :methyl -170:sc= -1.06 (180deg=-1.16) USER MOD Single : B 590 ASN : amide:sc= -0.181 K(o=-0.18,f=-2.3!) USER MOD Single : B 591 SER OG : rot 180:sc= 0 USER MOD Single : B 595 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.49) USER MOD Single : B 596 MET CE :methyl 170:sc= -2.19 (180deg=-2.53) USER MOD Single : B 599 SER OG : rot 180:sc= 0 USER MOD Single : B 602 SER OG : rot 170:sc= 0 USER MOD Single : B 605 SER OG : rot 180:sc= 0 USER MOD Single : B 606 LYS NZ :NH3+ 175:sc= 0.0794 (180deg=0.0375) USER MOD Single : B 615 GLN : amide:sc= -0.19 K(o=-0.19,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 67 N VAL A 77 8.426 -2.624 -5.849 1.00 0.00 N ATOM 68 CA VAL A 77 8.351 -4.078 -5.766 1.00 0.00 C ATOM 69 C VAL A 77 9.732 -4.709 -5.900 1.00 0.00 C ATOM 70 O VAL A 77 10.079 -5.293 -6.927 1.00 0.00 O ATOM 71 CB VAL A 77 7.427 -4.655 -6.855 1.00 0.00 C ATOM 72 CG1 VAL A 77 7.211 -6.145 -6.637 1.00 0.00 C ATOM 73 CG2 VAL A 77 6.100 -3.913 -6.876 1.00 0.00 C ATOM 0 HA VAL A 77 7.939 -4.318 -4.786 1.00 0.00 H new ATOM 0 HB VAL A 77 7.908 -4.520 -7.824 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.556 -6.535 -7.416 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.170 -6.661 -6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.752 -6.307 -5.662 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.460 -4.334 -7.651 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.611 -4.014 -5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.276 -2.858 -7.085 1.00 0.00 H new ATOM 83 N PRO A 78 10.543 -4.590 -4.838 1.00 0.00 N ATOM 84 CA PRO A 78 11.900 -5.143 -4.812 1.00 0.00 C ATOM 85 C PRO A 78 11.904 -6.667 -4.767 1.00 0.00 C ATOM 86 O PRO A 78 10.854 -7.297 -4.654 1.00 0.00 O ATOM 87 CB PRO A 78 12.492 -4.569 -3.522 1.00 0.00 C ATOM 88 CG PRO A 78 11.313 -4.296 -2.653 1.00 0.00 C ATOM 89 CD PRO A 78 10.196 -3.907 -3.580 1.00 0.00 C ATOM 0 HA PRO A 78 12.463 -4.883 -5.708 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.176 -5.276 -3.051 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.059 -3.659 -3.717 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.046 -5.177 -2.069 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.528 -3.497 -1.944 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.227 -4.232 -3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.141 -2.826 -3.711 1.00 0.00 H new ATOM 97 N ASN A 79 13.093 -7.254 -4.857 1.00 0.00 N ATOM 98 CA ASN A 79 13.234 -8.705 -4.827 1.00 0.00 C ATOM 99 C ASN A 79 13.799 -9.169 -3.489 1.00 0.00 C ATOM 100 O ASN A 79 15.011 -9.151 -3.274 1.00 0.00 O ATOM 101 CB ASN A 79 14.141 -9.174 -5.967 1.00 0.00 C ATOM 102 CG ASN A 79 13.375 -9.416 -7.253 1.00 0.00 C ATOM 103 OD1 ASN A 79 12.412 -8.711 -7.557 1.00 0.00 O ATOM 104 ND2 ASN A 79 13.800 -10.416 -8.016 1.00 0.00 N ATOM 0 H ASN A 79 13.973 -6.747 -4.951 1.00 0.00 H new ATOM 0 HA ASN A 79 12.245 -9.144 -4.955 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.914 -8.426 -6.143 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.647 -10.093 -5.670 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.324 -10.626 -8.893 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.602 -10.974 -7.725 1.00 0.00 H new ATOM 111 N VAL A 80 12.912 -9.586 -2.590 1.00 0.00 N ATOM 112 CA VAL A 80 13.322 -10.057 -1.273 1.00 0.00 C ATOM 113 C VAL A 80 14.305 -11.217 -1.385 1.00 0.00 C ATOM 114 O VAL A 80 15.107 -11.455 -0.482 1.00 0.00 O ATOM 115 CB VAL A 80 12.110 -10.505 -0.435 1.00 0.00 C ATOM 116 CG1 VAL A 80 11.192 -11.397 -1.257 1.00 0.00 C ATOM 117 CG2 VAL A 80 12.570 -11.219 0.827 1.00 0.00 C ATOM 0 H VAL A 80 11.905 -9.607 -2.751 1.00 0.00 H new ATOM 0 HA VAL A 80 13.809 -9.219 -0.775 1.00 0.00 H new ATOM 0 HB VAL A 80 11.547 -9.619 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.342 -11.703 -0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.835 -10.848 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.741 -12.280 -1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.701 -11.529 1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.156 -12.097 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.183 -10.544 1.424 1.00 0.00 H new ATOM 127 N HIS A 81 14.237 -11.937 -2.501 1.00 0.00 N ATOM 128 CA HIS A 81 15.122 -13.073 -2.733 1.00 0.00 C ATOM 129 C HIS A 81 16.532 -12.602 -3.078 1.00 0.00 C ATOM 130 O HIS A 81 17.450 -13.409 -3.219 1.00 0.00 O ATOM 131 CB HIS A 81 14.576 -13.951 -3.858 1.00 0.00 C ATOM 132 CG HIS A 81 13.149 -14.360 -3.660 1.00 0.00 C ATOM 133 ND1 HIS A 81 12.084 -13.650 -4.172 1.00 0.00 N ATOM 134 CD2 HIS A 81 12.613 -15.414 -3.001 1.00 0.00 C ATOM 135 CE1 HIS A 81 10.955 -14.248 -3.836 1.00 0.00 C ATOM 136 NE2 HIS A 81 11.249 -15.322 -3.125 1.00 0.00 N ATOM 0 H HIS A 81 13.579 -11.754 -3.258 1.00 0.00 H new ATOM 0 HA HIS A 81 15.168 -13.659 -1.815 1.00 0.00 H new ATOM 0 HB2 HIS A 81 14.664 -13.414 -4.802 1.00 0.00 H new ATOM 0 HB3 HIS A 81 15.193 -14.845 -3.942 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.158 -16.184 -2.475 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.961 -13.916 -4.098 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.572 -15.976 -2.732 1.00 0.00 H new ATOM 144 N ALA A 82 16.695 -11.290 -3.213 1.00 0.00 N ATOM 145 CA ALA A 82 17.993 -10.711 -3.541 1.00 0.00 C ATOM 146 C ALA A 82 19.079 -11.235 -2.607 1.00 0.00 C ATOM 147 O ALA A 82 18.786 -11.872 -1.595 1.00 0.00 O ATOM 148 CB ALA A 82 17.925 -9.193 -3.476 1.00 0.00 C ATOM 0 H ALA A 82 15.945 -10.608 -3.100 1.00 0.00 H new ATOM 0 HA ALA A 82 18.250 -11.009 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.901 -8.774 -3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.184 -8.831 -4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.642 -8.884 -2.470 1.00 0.00 H new ATOM 154 N ALA A 83 20.332 -10.962 -2.953 1.00 0.00 N ATOM 155 CA ALA A 83 21.462 -11.405 -2.144 1.00 0.00 C ATOM 156 C ALA A 83 22.390 -10.241 -1.815 1.00 0.00 C ATOM 157 O ALA A 83 22.290 -9.168 -2.409 1.00 0.00 O ATOM 158 CB ALA A 83 22.227 -12.505 -2.864 1.00 0.00 C ATOM 0 H ALA A 83 20.591 -10.436 -3.788 1.00 0.00 H new ATOM 0 HA ALA A 83 21.073 -11.802 -1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 83 23.068 -12.826 -2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 83 21.564 -13.352 -3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 83 22.598 -12.127 -3.816 1.00 0.00 H new ATOM 164 N GLU A 84 23.293 -10.461 -0.864 1.00 0.00 N ATOM 165 CA GLU A 84 24.238 -9.428 -0.456 1.00 0.00 C ATOM 166 C GLU A 84 24.964 -8.846 -1.665 1.00 0.00 C ATOM 167 O GLU A 84 25.033 -9.472 -2.723 1.00 0.00 O ATOM 168 CB GLU A 84 25.254 -9.999 0.536 1.00 0.00 C ATOM 169 CG GLU A 84 26.123 -11.100 -0.048 1.00 0.00 C ATOM 170 CD GLU A 84 27.095 -11.675 0.964 1.00 0.00 C ATOM 171 OE1 GLU A 84 27.228 -11.087 2.058 1.00 0.00 O ATOM 172 OE2 GLU A 84 27.722 -12.712 0.662 1.00 0.00 O ATOM 0 H GLU A 84 23.390 -11.344 -0.363 1.00 0.00 H new ATOM 0 HA GLU A 84 23.677 -8.629 0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 84 25.895 -9.192 0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 84 24.722 -10.389 1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 84 25.485 -11.898 -0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 84 26.680 -10.706 -0.898 1.00 0.00 H new ATOM 179 N PHE A 85 25.504 -7.643 -1.501 1.00 0.00 N ATOM 180 CA PHE A 85 26.223 -6.974 -2.578 1.00 0.00 C ATOM 181 C PHE A 85 27.725 -7.220 -2.465 1.00 0.00 C ATOM 182 O PHE A 85 28.442 -7.227 -3.465 1.00 0.00 O ATOM 183 CB PHE A 85 25.938 -5.471 -2.555 1.00 0.00 C ATOM 184 CG PHE A 85 26.995 -4.671 -1.849 1.00 0.00 C ATOM 185 CD1 PHE A 85 27.022 -4.602 -0.465 1.00 0.00 C ATOM 186 CD2 PHE A 85 27.963 -3.988 -2.568 1.00 0.00 C ATOM 187 CE1 PHE A 85 27.994 -3.866 0.187 1.00 0.00 C ATOM 188 CE2 PHE A 85 28.937 -3.251 -1.922 1.00 0.00 C ATOM 189 CZ PHE A 85 28.953 -3.191 -0.542 1.00 0.00 C ATOM 0 H PHE A 85 25.457 -7.111 -0.632 1.00 0.00 H new ATOM 0 HA PHE A 85 25.875 -7.388 -3.524 1.00 0.00 H new ATOM 0 HB2 PHE A 85 25.845 -5.111 -3.580 1.00 0.00 H new ATOM 0 HB3 PHE A 85 24.978 -5.299 -2.069 1.00 0.00 H new ATOM 0 HD1 PHE A 85 26.275 -5.129 0.111 1.00 0.00 H new ATOM 0 HD2 PHE A 85 27.956 -4.032 -3.647 1.00 0.00 H new ATOM 0 HE1 PHE A 85 28.003 -3.819 1.266 1.00 0.00 H new ATOM 0 HE2 PHE A 85 29.685 -2.723 -2.495 1.00 0.00 H new ATOM 0 HZ PHE A 85 29.714 -2.617 -0.034 1.00 0.00 H new ATOM 537 N GLN B 556 31.449 -0.867 -13.309 1.00 0.00 N ATOM 538 CA GLN B 556 31.253 -2.094 -12.546 1.00 0.00 C ATOM 539 C GLN B 556 31.604 -1.885 -11.077 1.00 0.00 C ATOM 540 O GLN B 556 30.953 -2.434 -10.189 1.00 0.00 O ATOM 541 CB GLN B 556 32.103 -3.224 -13.130 1.00 0.00 C ATOM 542 CG GLN B 556 33.567 -2.855 -13.307 1.00 0.00 C ATOM 543 CD GLN B 556 34.421 -4.037 -13.721 1.00 0.00 C ATOM 544 OE1 GLN B 556 35.495 -4.266 -13.164 1.00 0.00 O ATOM 545 NE2 GLN B 556 33.947 -4.795 -14.703 1.00 0.00 N ATOM 0 HA GLN B 556 30.200 -2.368 -12.613 1.00 0.00 H new ATOM 0 HB2 GLN B 556 32.033 -4.095 -12.478 1.00 0.00 H new ATOM 0 HB3 GLN B 556 31.691 -3.515 -14.096 1.00 0.00 H new ATOM 0 HG2 GLN B 556 33.652 -2.070 -14.058 1.00 0.00 H new ATOM 0 HG3 GLN B 556 33.950 -2.445 -12.373 1.00 0.00 H new ATOM 0 HE21 GLN B 556 33.052 -4.568 -15.136 1.00 0.00 H new ATOM 0 HE22 GLN B 556 34.478 -5.604 -15.024 1.00 0.00 H new ATOM 554 N GLU B 557 32.637 -1.086 -10.829 1.00 0.00 N ATOM 555 CA GLU B 557 33.075 -0.805 -9.466 1.00 0.00 C ATOM 556 C GLU B 557 32.123 0.169 -8.779 1.00 0.00 C ATOM 557 O GLU B 557 32.010 0.181 -7.553 1.00 0.00 O ATOM 558 CB GLU B 557 34.493 -0.232 -9.471 1.00 0.00 C ATOM 559 CG GLU B 557 35.571 -1.276 -9.708 1.00 0.00 C ATOM 560 CD GLU B 557 35.792 -2.171 -8.504 1.00 0.00 C ATOM 561 OE1 GLU B 557 35.034 -2.038 -7.520 1.00 0.00 O ATOM 562 OE2 GLU B 557 36.722 -3.003 -8.544 1.00 0.00 O ATOM 0 H GLU B 557 33.186 -0.622 -11.553 1.00 0.00 H new ATOM 0 HA GLU B 557 33.072 -1.742 -8.910 1.00 0.00 H new ATOM 0 HB2 GLU B 557 34.564 0.533 -10.244 1.00 0.00 H new ATOM 0 HB3 GLU B 557 34.680 0.261 -8.517 1.00 0.00 H new ATOM 0 HG2 GLU B 557 35.295 -1.889 -10.566 1.00 0.00 H new ATOM 0 HG3 GLU B 557 36.506 -0.776 -9.961 1.00 0.00 H new ATOM 569 N GLN B 558 31.441 0.983 -9.577 1.00 0.00 N ATOM 570 CA GLN B 558 30.499 1.962 -9.046 1.00 0.00 C ATOM 571 C GLN B 558 29.507 1.302 -8.094 1.00 0.00 C ATOM 572 O GLN B 558 29.253 1.803 -6.999 1.00 0.00 O ATOM 573 CB GLN B 558 29.749 2.651 -10.187 1.00 0.00 C ATOM 574 CG GLN B 558 30.501 3.829 -10.785 1.00 0.00 C ATOM 575 CD GLN B 558 29.681 4.582 -11.814 1.00 0.00 C ATOM 576 OE1 GLN B 558 29.641 5.813 -11.813 1.00 0.00 O ATOM 577 NE2 GLN B 558 29.021 3.846 -12.700 1.00 0.00 N ATOM 0 H GLN B 558 31.523 0.985 -10.594 1.00 0.00 H new ATOM 0 HA GLN B 558 31.065 2.709 -8.490 1.00 0.00 H new ATOM 0 HB2 GLN B 558 29.549 1.922 -10.972 1.00 0.00 H new ATOM 0 HB3 GLN B 558 28.783 2.996 -9.819 1.00 0.00 H new ATOM 0 HG2 GLN B 558 30.792 4.512 -9.987 1.00 0.00 H new ATOM 0 HG3 GLN B 558 31.420 3.471 -11.249 1.00 0.00 H new ATOM 0 HE21 GLN B 558 29.082 2.828 -12.664 1.00 0.00 H new ATOM 0 HE22 GLN B 558 28.453 4.298 -13.416 1.00 0.00 H new ATOM 586 N LYS B 559 28.948 0.174 -8.520 1.00 0.00 N ATOM 587 CA LYS B 559 27.984 -0.557 -7.706 1.00 0.00 C ATOM 588 C LYS B 559 28.544 -0.833 -6.315 1.00 0.00 C ATOM 589 O LYS B 559 27.906 -0.527 -5.308 1.00 0.00 O ATOM 590 CB LYS B 559 27.606 -1.875 -8.386 1.00 0.00 C ATOM 591 CG LYS B 559 26.410 -1.760 -9.314 1.00 0.00 C ATOM 592 CD LYS B 559 26.833 -1.401 -10.729 1.00 0.00 C ATOM 593 CE LYS B 559 25.812 -1.871 -11.753 1.00 0.00 C ATOM 594 NZ LYS B 559 26.069 -1.290 -13.100 1.00 0.00 N ATOM 0 H LYS B 559 29.146 -0.254 -9.425 1.00 0.00 H new ATOM 0 HA LYS B 559 27.092 0.061 -7.603 1.00 0.00 H new ATOM 0 HB2 LYS B 559 28.462 -2.240 -8.954 1.00 0.00 H new ATOM 0 HB3 LYS B 559 27.391 -2.620 -7.620 1.00 0.00 H new ATOM 0 HG2 LYS B 559 25.865 -2.704 -9.325 1.00 0.00 H new ATOM 0 HG3 LYS B 559 25.726 -1.001 -8.934 1.00 0.00 H new ATOM 0 HD2 LYS B 559 26.959 -0.321 -10.809 1.00 0.00 H new ATOM 0 HD3 LYS B 559 27.801 -1.852 -10.946 1.00 0.00 H new ATOM 0 HE2 LYS B 559 25.836 -2.959 -11.816 1.00 0.00 H new ATOM 0 HE3 LYS B 559 24.811 -1.593 -11.422 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 25.352 -1.635 -13.769 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 26.021 -0.253 -13.045 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 27.014 -1.577 -13.427 1.00 0.00 H new ATOM 608 N GLN B 560 29.740 -1.411 -6.267 1.00 0.00 N ATOM 609 CA GLN B 560 30.385 -1.727 -4.998 1.00 0.00 C ATOM 610 C GLN B 560 30.549 -0.474 -4.144 1.00 0.00 C ATOM 611 O GLN B 560 30.412 -0.522 -2.922 1.00 0.00 O ATOM 612 CB GLN B 560 31.750 -2.374 -5.243 1.00 0.00 C ATOM 613 CG GLN B 560 31.719 -3.484 -6.282 1.00 0.00 C ATOM 614 CD GLN B 560 30.624 -4.499 -6.019 1.00 0.00 C ATOM 615 OE1 GLN B 560 30.323 -4.821 -4.870 1.00 0.00 O ATOM 616 NE2 GLN B 560 30.021 -5.009 -7.087 1.00 0.00 N ATOM 0 H GLN B 560 30.282 -1.670 -7.092 1.00 0.00 H new ATOM 0 HA GLN B 560 29.749 -2.430 -4.461 1.00 0.00 H new ATOM 0 HB2 GLN B 560 32.454 -1.607 -5.564 1.00 0.00 H new ATOM 0 HB3 GLN B 560 32.125 -2.778 -4.303 1.00 0.00 H new ATOM 0 HG2 GLN B 560 31.575 -3.047 -7.270 1.00 0.00 H new ATOM 0 HG3 GLN B 560 32.684 -3.991 -6.295 1.00 0.00 H new ATOM 0 HE21 GLN B 560 30.303 -4.713 -8.022 1.00 0.00 H new ATOM 0 HE22 GLN B 560 29.276 -5.696 -6.972 1.00 0.00 H new ATOM 625 N MET B 561 30.844 0.646 -4.796 1.00 0.00 N ATOM 626 CA MET B 561 31.026 1.912 -4.096 1.00 0.00 C ATOM 627 C MET B 561 29.739 2.336 -3.397 1.00 0.00 C ATOM 628 O MET B 561 29.705 2.489 -2.175 1.00 0.00 O ATOM 629 CB MET B 561 31.472 3.001 -5.074 1.00 0.00 C ATOM 630 CG MET B 561 32.770 2.675 -5.796 1.00 0.00 C ATOM 631 SD MET B 561 33.832 4.118 -6.000 1.00 0.00 S ATOM 632 CE MET B 561 33.045 4.923 -7.393 1.00 0.00 C ATOM 0 H MET B 561 30.962 0.702 -5.808 1.00 0.00 H new ATOM 0 HA MET B 561 31.800 1.773 -3.341 1.00 0.00 H new ATOM 0 HB2 MET B 561 30.685 3.160 -5.812 1.00 0.00 H new ATOM 0 HB3 MET B 561 31.593 3.938 -4.531 1.00 0.00 H new ATOM 0 HG2 MET B 561 33.308 1.908 -5.239 1.00 0.00 H new ATOM 0 HG3 MET B 561 32.541 2.256 -6.776 1.00 0.00 H new ATOM 0 HE1 MET B 561 33.588 5.835 -7.641 1.00 0.00 H new ATOM 0 HE2 MET B 561 33.051 4.252 -8.252 1.00 0.00 H new ATOM 0 HE3 MET B 561 32.016 5.172 -7.135 1.00 0.00 H new ATOM 642 N LEU B 562 28.681 2.525 -4.178 1.00 0.00 N ATOM 643 CA LEU B 562 27.391 2.933 -3.633 1.00 0.00 C ATOM 644 C LEU B 562 26.971 2.018 -2.487 1.00 0.00 C ATOM 645 O LEU B 562 26.609 2.485 -1.407 1.00 0.00 O ATOM 646 CB LEU B 562 26.324 2.917 -4.730 1.00 0.00 C ATOM 647 CG LEU B 562 26.416 4.033 -5.771 1.00 0.00 C ATOM 648 CD1 LEU B 562 25.446 3.778 -6.914 1.00 0.00 C ATOM 649 CD2 LEU B 562 26.143 5.385 -5.129 1.00 0.00 C ATOM 0 H LEU B 562 28.691 2.402 -5.191 1.00 0.00 H new ATOM 0 HA LEU B 562 27.491 3.947 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU B 562 26.378 1.959 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU B 562 25.344 2.969 -4.256 1.00 0.00 H new ATOM 0 HG LEU B 562 27.428 4.043 -6.176 1.00 0.00 H new ATOM 0 HD11 LEU B 562 25.526 4.583 -7.645 1.00 0.00 H new ATOM 0 HD12 LEU B 562 25.688 2.828 -7.392 1.00 0.00 H new ATOM 0 HD13 LEU B 562 24.428 3.740 -6.526 1.00 0.00 H new ATOM 0 HD21 LEU B 562 26.213 6.167 -5.885 1.00 0.00 H new ATOM 0 HD22 LEU B 562 25.143 5.387 -4.696 1.00 0.00 H new ATOM 0 HD23 LEU B 562 26.878 5.571 -4.346 1.00 0.00 H new ATOM 661 N GLY B 563 27.024 0.712 -2.728 1.00 0.00 N ATOM 662 CA GLY B 563 26.648 -0.247 -1.706 1.00 0.00 C ATOM 663 C GLY B 563 27.572 -0.206 -0.505 1.00 0.00 C ATOM 664 O GLY B 563 27.137 -0.412 0.628 1.00 0.00 O ATOM 0 H GLY B 563 27.321 0.301 -3.613 1.00 0.00 H new ATOM 0 HA2 GLY B 563 25.627 -0.046 -1.382 1.00 0.00 H new ATOM 0 HA3 GLY B 563 26.656 -1.250 -2.133 1.00 0.00 H new ATOM 668 N GLU B 564 28.851 0.059 -0.753 1.00 0.00 N ATOM 669 CA GLU B 564 29.839 0.123 0.318 1.00 0.00 C ATOM 670 C GLU B 564 29.495 1.230 1.310 1.00 0.00 C ATOM 671 O GLU B 564 29.531 1.025 2.523 1.00 0.00 O ATOM 672 CB GLU B 564 31.236 0.357 -0.260 1.00 0.00 C ATOM 673 CG GLU B 564 32.041 -0.919 -0.442 1.00 0.00 C ATOM 674 CD GLU B 564 33.443 -0.810 0.124 1.00 0.00 C ATOM 675 OE1 GLU B 564 33.576 -0.507 1.328 1.00 0.00 O ATOM 676 OE2 GLU B 564 34.409 -1.028 -0.638 1.00 0.00 O ATOM 0 H GLU B 564 29.227 0.233 -1.685 1.00 0.00 H new ATOM 0 HA GLU B 564 29.827 -0.831 0.846 1.00 0.00 H new ATOM 0 HB2 GLU B 564 31.142 0.858 -1.224 1.00 0.00 H new ATOM 0 HB3 GLU B 564 31.784 1.032 0.398 1.00 0.00 H new ATOM 0 HG2 GLU B 564 31.521 -1.745 0.043 1.00 0.00 H new ATOM 0 HG3 GLU B 564 32.099 -1.159 -1.504 1.00 0.00 H new ATOM 683 N ARG B 565 29.162 2.405 0.784 1.00 0.00 N ATOM 684 CA ARG B 565 28.813 3.546 1.622 1.00 0.00 C ATOM 685 C ARG B 565 27.410 3.388 2.199 1.00 0.00 C ATOM 686 O ARG B 565 27.117 3.876 3.292 1.00 0.00 O ATOM 687 CB ARG B 565 28.902 4.843 0.817 1.00 0.00 C ATOM 688 CG ARG B 565 29.186 6.070 1.668 1.00 0.00 C ATOM 689 CD ARG B 565 29.834 7.177 0.852 1.00 0.00 C ATOM 690 NE ARG B 565 29.254 8.485 1.146 1.00 0.00 N ATOM 691 CZ ARG B 565 28.053 8.868 0.727 1.00 0.00 C ATOM 692 NH1 ARG B 565 27.308 8.047 0.000 1.00 0.00 N ATOM 693 NH2 ARG B 565 27.595 10.074 1.036 1.00 0.00 N ATOM 0 H ARG B 565 29.127 2.591 -0.218 1.00 0.00 H new ATOM 0 HA ARG B 565 29.524 3.589 2.447 1.00 0.00 H new ATOM 0 HB2 ARG B 565 29.686 4.742 0.067 1.00 0.00 H new ATOM 0 HB3 ARG B 565 27.965 4.993 0.280 1.00 0.00 H new ATOM 0 HG2 ARG B 565 28.256 6.435 2.104 1.00 0.00 H new ATOM 0 HG3 ARG B 565 29.840 5.796 2.496 1.00 0.00 H new ATOM 0 HD2 ARG B 565 30.904 7.200 1.058 1.00 0.00 H new ATOM 0 HD3 ARG B 565 29.719 6.960 -0.210 1.00 0.00 H new ATOM 0 HE ARG B 565 29.801 9.140 1.704 1.00 0.00 H new ATOM 0 HH11 ARG B 565 27.657 7.119 -0.239 1.00 0.00 H new ATOM 0 HH12 ARG B 565 26.386 8.344 -0.320 1.00 0.00 H new ATOM 0 HH21 ARG B 565 28.165 10.708 1.596 1.00 0.00 H new ATOM 0 HH22 ARG B 565 26.673 10.367 0.714 1.00 0.00 H new ATOM 707 N LEU B 566 26.545 2.704 1.458 1.00 0.00 N ATOM 708 CA LEU B 566 25.171 2.482 1.895 1.00 0.00 C ATOM 709 C LEU B 566 25.110 1.408 2.977 1.00 0.00 C ATOM 710 O LEU B 566 24.178 1.373 3.780 1.00 0.00 O ATOM 711 CB LEU B 566 24.297 2.075 0.707 1.00 0.00 C ATOM 712 CG LEU B 566 24.003 3.172 -0.317 1.00 0.00 C ATOM 713 CD1 LEU B 566 23.699 2.565 -1.677 1.00 0.00 C ATOM 714 CD2 LEU B 566 22.845 4.042 0.151 1.00 0.00 C ATOM 0 H LEU B 566 26.771 2.294 0.552 1.00 0.00 H new ATOM 0 HA LEU B 566 24.794 3.415 2.314 1.00 0.00 H new ATOM 0 HB2 LEU B 566 24.782 1.246 0.192 1.00 0.00 H new ATOM 0 HB3 LEU B 566 23.348 1.701 1.091 1.00 0.00 H new ATOM 0 HG LEU B 566 24.889 3.800 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU B 566 23.492 3.361 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU B 566 24.557 1.985 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU B 566 22.829 1.913 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU B 566 22.650 4.817 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU B 566 21.954 3.426 0.275 1.00 0.00 H new ATOM 0 HD23 LEU B 566 23.101 4.506 1.103 1.00 0.00 H new ATOM 726 N PHE B 567 26.112 0.535 2.993 1.00 0.00 N ATOM 727 CA PHE B 567 26.173 -0.540 3.977 1.00 0.00 C ATOM 728 C PHE B 567 26.022 0.010 5.393 1.00 0.00 C ATOM 729 O PHE B 567 25.123 -0.374 6.142 1.00 0.00 O ATOM 730 CB PHE B 567 27.496 -1.299 3.852 1.00 0.00 C ATOM 731 CG PHE B 567 27.938 -1.948 5.133 1.00 0.00 C ATOM 732 CD1 PHE B 567 27.102 -2.825 5.805 1.00 0.00 C ATOM 733 CD2 PHE B 567 29.189 -1.680 5.664 1.00 0.00 C ATOM 734 CE1 PHE B 567 27.507 -3.422 6.984 1.00 0.00 C ATOM 735 CE2 PHE B 567 29.600 -2.275 6.842 1.00 0.00 C ATOM 736 CZ PHE B 567 28.757 -3.148 7.502 1.00 0.00 C ATOM 0 H PHE B 567 26.892 0.551 2.336 1.00 0.00 H new ATOM 0 HA PHE B 567 25.348 -1.225 3.782 1.00 0.00 H new ATOM 0 HB2 PHE B 567 27.395 -2.064 3.082 1.00 0.00 H new ATOM 0 HB3 PHE B 567 28.271 -0.610 3.517 1.00 0.00 H new ATOM 0 HD1 PHE B 567 26.124 -3.044 5.403 1.00 0.00 H new ATOM 0 HD2 PHE B 567 29.851 -0.998 5.151 1.00 0.00 H new ATOM 0 HE1 PHE B 567 26.846 -4.103 7.500 1.00 0.00 H new ATOM 0 HE2 PHE B 567 30.578 -2.058 7.246 1.00 0.00 H new ATOM 0 HZ PHE B 567 29.075 -3.616 8.422 1.00 0.00 H new ATOM 746 N PRO B 568 26.922 0.931 5.769 1.00 0.00 N ATOM 747 CA PRO B 568 26.910 1.554 7.096 1.00 0.00 C ATOM 748 C PRO B 568 25.724 2.493 7.285 1.00 0.00 C ATOM 749 O PRO B 568 25.189 2.620 8.387 1.00 0.00 O ATOM 750 CB PRO B 568 28.224 2.338 7.131 1.00 0.00 C ATOM 751 CG PRO B 568 28.539 2.615 5.702 1.00 0.00 C ATOM 752 CD PRO B 568 28.020 1.436 4.927 1.00 0.00 C ATOM 0 HA PRO B 568 26.817 0.816 7.892 1.00 0.00 H new ATOM 0 HB2 PRO B 568 28.118 3.262 7.699 1.00 0.00 H new ATOM 0 HB3 PRO B 568 29.017 1.760 7.606 1.00 0.00 H new ATOM 0 HG2 PRO B 568 28.066 3.539 5.370 1.00 0.00 H new ATOM 0 HG3 PRO B 568 29.612 2.736 5.555 1.00 0.00 H new ATOM 0 HD2 PRO B 568 27.666 1.729 3.939 1.00 0.00 H new ATOM 0 HD3 PRO B 568 28.792 0.681 4.778 1.00 0.00 H new ATOM 760 N LEU B 569 25.317 3.149 6.203 1.00 0.00 N ATOM 761 CA LEU B 569 24.193 4.078 6.250 1.00 0.00 C ATOM 762 C LEU B 569 22.931 3.380 6.747 1.00 0.00 C ATOM 763 O LEU B 569 22.314 3.812 7.722 1.00 0.00 O ATOM 764 CB LEU B 569 23.945 4.679 4.866 1.00 0.00 C ATOM 765 CG LEU B 569 24.960 5.722 4.396 1.00 0.00 C ATOM 766 CD1 LEU B 569 24.844 5.941 2.895 1.00 0.00 C ATOM 767 CD2 LEU B 569 24.763 7.033 5.144 1.00 0.00 C ATOM 0 H LEU B 569 25.748 3.055 5.283 1.00 0.00 H new ATOM 0 HA LEU B 569 24.443 4.878 6.947 1.00 0.00 H new ATOM 0 HB2 LEU B 569 23.924 3.868 4.138 1.00 0.00 H new ATOM 0 HB3 LEU B 569 22.956 5.136 4.862 1.00 0.00 H new ATOM 0 HG LEU B 569 25.961 5.350 4.612 1.00 0.00 H new ATOM 0 HD11 LEU B 569 25.574 6.686 2.579 1.00 0.00 H new ATOM 0 HD12 LEU B 569 25.035 5.002 2.375 1.00 0.00 H new ATOM 0 HD13 LEU B 569 23.840 6.291 2.655 1.00 0.00 H new ATOM 0 HD21 LEU B 569 25.494 7.763 4.797 1.00 0.00 H new ATOM 0 HD22 LEU B 569 23.757 7.410 4.959 1.00 0.00 H new ATOM 0 HD23 LEU B 569 24.897 6.866 6.213 1.00 0.00 H new ATOM 779 N ILE B 570 22.553 2.300 6.072 1.00 0.00 N ATOM 780 CA ILE B 570 21.367 1.541 6.447 1.00 0.00 C ATOM 781 C ILE B 570 21.628 0.687 7.684 1.00 0.00 C ATOM 782 O ILE B 570 20.696 0.274 8.372 1.00 0.00 O ATOM 783 CB ILE B 570 20.894 0.630 5.299 1.00 0.00 C ATOM 784 CG1 ILE B 570 20.614 1.458 4.044 1.00 0.00 C ATOM 785 CG2 ILE B 570 19.654 -0.147 5.715 1.00 0.00 C ATOM 786 CD1 ILE B 570 21.038 0.776 2.762 1.00 0.00 C ATOM 0 H ILE B 570 23.051 1.931 5.262 1.00 0.00 H new ATOM 0 HA ILE B 570 20.585 2.268 6.668 1.00 0.00 H new ATOM 0 HB ILE B 570 21.686 -0.083 5.072 1.00 0.00 H new ATOM 0 HG12 ILE B 570 19.547 1.677 3.994 1.00 0.00 H new ATOM 0 HG13 ILE B 570 21.132 2.413 4.126 1.00 0.00 H new ATOM 0 HG21 ILE B 570 19.332 -0.786 4.893 1.00 0.00 H new ATOM 0 HG22 ILE B 570 19.885 -0.763 6.584 1.00 0.00 H new ATOM 0 HG23 ILE B 570 18.855 0.550 5.967 1.00 0.00 H new ATOM 0 HD11 ILE B 570 20.809 1.421 1.914 1.00 0.00 H new ATOM 0 HD12 ILE B 570 22.110 0.581 2.791 1.00 0.00 H new ATOM 0 HD13 ILE B 570 20.501 -0.167 2.656 1.00 0.00 H new ATOM 798 N GLN B 571 22.903 0.430 7.959 1.00 0.00 N ATOM 799 CA GLN B 571 23.287 -0.374 9.114 1.00 0.00 C ATOM 800 C GLN B 571 22.750 0.236 10.404 1.00 0.00 C ATOM 801 O GLN B 571 22.595 -0.454 11.411 1.00 0.00 O ATOM 802 CB GLN B 571 24.810 -0.500 9.190 1.00 0.00 C ATOM 803 CG GLN B 571 25.298 -1.227 10.432 1.00 0.00 C ATOM 804 CD GLN B 571 26.807 -1.184 10.578 1.00 0.00 C ATOM 805 OE1 GLN B 571 27.492 -2.182 10.358 1.00 0.00 O ATOM 806 NE2 GLN B 571 27.332 -0.023 10.952 1.00 0.00 N ATOM 0 H GLN B 571 23.686 0.766 7.399 1.00 0.00 H new ATOM 0 HA GLN B 571 22.853 -1.367 8.995 1.00 0.00 H new ATOM 0 HB2 GLN B 571 25.167 -1.028 8.306 1.00 0.00 H new ATOM 0 HB3 GLN B 571 25.251 0.497 9.166 1.00 0.00 H new ATOM 0 HG2 GLN B 571 24.839 -0.781 11.314 1.00 0.00 H new ATOM 0 HG3 GLN B 571 24.970 -2.266 10.393 1.00 0.00 H new ATOM 0 HE21 GLN B 571 26.726 0.779 11.124 1.00 0.00 H new ATOM 0 HE22 GLN B 571 28.341 0.067 11.067 1.00 0.00 H new ATOM 815 N ALA B 572 22.469 1.535 10.367 1.00 0.00 N ATOM 816 CA ALA B 572 21.948 2.237 11.533 1.00 0.00 C ATOM 817 C ALA B 572 20.467 1.939 11.737 1.00 0.00 C ATOM 818 O ALA B 572 19.865 2.378 12.717 1.00 0.00 O ATOM 819 CB ALA B 572 22.172 3.735 11.390 1.00 0.00 C ATOM 0 H ALA B 572 22.594 2.122 9.542 1.00 0.00 H new ATOM 0 HA ALA B 572 22.487 1.882 12.411 1.00 0.00 H new ATOM 0 HB1 ALA B 572 21.778 4.247 12.268 1.00 0.00 H new ATOM 0 HB2 ALA B 572 23.240 3.936 11.301 1.00 0.00 H new ATOM 0 HB3 ALA B 572 21.659 4.096 10.499 1.00 0.00 H new ATOM 825 N MET B 573 19.884 1.191 10.805 1.00 0.00 N ATOM 826 CA MET B 573 18.473 0.834 10.884 1.00 0.00 C ATOM 827 C MET B 573 18.289 -0.678 10.806 1.00 0.00 C ATOM 828 O MET B 573 17.716 -1.291 11.707 1.00 0.00 O ATOM 829 CB MET B 573 17.689 1.514 9.760 1.00 0.00 C ATOM 830 CG MET B 573 18.094 2.960 9.525 1.00 0.00 C ATOM 831 SD MET B 573 16.965 3.827 8.418 1.00 0.00 S ATOM 832 CE MET B 573 17.928 3.858 6.909 1.00 0.00 C ATOM 0 H MET B 573 20.368 0.821 9.987 1.00 0.00 H new ATOM 0 HA MET B 573 18.090 1.179 11.844 1.00 0.00 H new ATOM 0 HB2 MET B 573 17.831 0.951 8.837 1.00 0.00 H new ATOM 0 HB3 MET B 573 16.626 1.477 9.996 1.00 0.00 H new ATOM 0 HG2 MET B 573 18.132 3.482 10.481 1.00 0.00 H new ATOM 0 HG3 MET B 573 19.100 2.988 9.106 1.00 0.00 H new ATOM 0 HE1 MET B 573 17.348 4.332 6.117 1.00 0.00 H new ATOM 0 HE2 MET B 573 18.846 4.422 7.075 1.00 0.00 H new ATOM 0 HE3 MET B 573 18.177 2.838 6.615 1.00 0.00 H new ATOM 842 N HIS B 574 18.778 -1.274 9.723 1.00 0.00 N ATOM 843 CA HIS B 574 18.667 -2.715 9.527 1.00 0.00 C ATOM 844 C HIS B 574 20.040 -3.339 9.295 1.00 0.00 C ATOM 845 O HIS B 574 20.364 -3.795 8.199 1.00 0.00 O ATOM 846 CB HIS B 574 17.748 -3.022 8.344 1.00 0.00 C ATOM 847 CG HIS B 574 16.318 -2.648 8.584 1.00 0.00 C ATOM 848 ND1 HIS B 574 15.502 -3.322 9.468 1.00 0.00 N ATOM 849 CD2 HIS B 574 15.559 -1.662 8.051 1.00 0.00 C ATOM 850 CE1 HIS B 574 14.303 -2.768 9.467 1.00 0.00 C ATOM 851 NE2 HIS B 574 14.311 -1.758 8.616 1.00 0.00 N ATOM 0 H HIS B 574 19.255 -0.781 8.968 1.00 0.00 H new ATOM 0 HA HIS B 574 18.239 -3.147 10.431 1.00 0.00 H new ATOM 0 HB2 HIS B 574 18.111 -2.490 7.465 1.00 0.00 H new ATOM 0 HB3 HIS B 574 17.804 -4.087 8.118 1.00 0.00 H new ATOM 0 HD2 HIS B 574 15.876 -0.935 7.318 1.00 0.00 H new ATOM 0 HE1 HIS B 574 13.459 -3.087 10.061 1.00 0.00 H new ATOM 0 HE2 HIS B 574 13.519 -1.148 8.412 1.00 0.00 H new ATOM 859 N PRO B 575 20.868 -3.359 10.351 1.00 0.00 N ATOM 860 CA PRO B 575 22.219 -3.924 10.286 1.00 0.00 C ATOM 861 C PRO B 575 22.207 -5.442 10.143 1.00 0.00 C ATOM 862 O PRO B 575 23.179 -6.040 9.682 1.00 0.00 O ATOM 863 CB PRO B 575 22.837 -3.518 11.627 1.00 0.00 C ATOM 864 CG PRO B 575 21.675 -3.344 12.542 1.00 0.00 C ATOM 865 CD PRO B 575 20.548 -2.833 11.688 1.00 0.00 C ATOM 0 HA PRO B 575 22.771 -3.562 9.419 1.00 0.00 H new ATOM 0 HB2 PRO B 575 23.520 -4.283 11.996 1.00 0.00 H new ATOM 0 HB3 PRO B 575 23.411 -2.596 11.536 1.00 0.00 H new ATOM 0 HG2 PRO B 575 21.408 -4.288 13.017 1.00 0.00 H new ATOM 0 HG3 PRO B 575 21.909 -2.640 13.341 1.00 0.00 H new ATOM 0 HD2 PRO B 575 19.581 -3.193 12.041 1.00 0.00 H new ATOM 0 HD3 PRO B 575 20.503 -1.744 11.691 1.00 0.00 H new ATOM 873 N THR B 576 21.099 -6.060 10.539 1.00 0.00 N ATOM 874 CA THR B 576 20.960 -7.508 10.455 1.00 0.00 C ATOM 875 C THR B 576 21.178 -8.000 9.029 1.00 0.00 C ATOM 876 O THR B 576 21.758 -9.064 8.809 1.00 0.00 O ATOM 877 CB THR B 576 19.572 -7.969 10.939 1.00 0.00 C ATOM 878 OG1 THR B 576 19.318 -7.460 12.253 1.00 0.00 O ATOM 879 CG2 THR B 576 19.480 -9.487 10.952 1.00 0.00 C ATOM 0 H THR B 576 20.284 -5.580 10.921 1.00 0.00 H new ATOM 0 HA THR B 576 21.723 -7.936 11.105 1.00 0.00 H new ATOM 0 HB THR B 576 18.823 -7.581 10.248 1.00 0.00 H new ATOM 0 HG1 THR B 576 18.433 -7.756 12.553 1.00 0.00 H new ATOM 0 HG21 THR B 576 18.491 -9.789 11.297 1.00 0.00 H new ATOM 0 HG22 THR B 576 19.645 -9.870 9.945 1.00 0.00 H new ATOM 0 HG23 THR B 576 20.238 -9.892 11.623 1.00 0.00 H new ATOM 887 N LEU B 577 20.710 -7.219 8.062 1.00 0.00 N ATOM 888 CA LEU B 577 20.854 -7.575 6.654 1.00 0.00 C ATOM 889 C LEU B 577 21.137 -6.338 5.806 1.00 0.00 C ATOM 890 O LEU B 577 20.677 -6.235 4.669 1.00 0.00 O ATOM 891 CB LEU B 577 19.588 -8.272 6.152 1.00 0.00 C ATOM 892 CG LEU B 577 18.870 -9.167 7.162 1.00 0.00 C ATOM 893 CD1 LEU B 577 17.869 -8.360 7.975 1.00 0.00 C ATOM 894 CD2 LEU B 577 18.176 -10.321 6.453 1.00 0.00 C ATOM 0 H LEU B 577 20.228 -6.335 8.226 1.00 0.00 H new ATOM 0 HA LEU B 577 21.699 -8.258 6.562 1.00 0.00 H new ATOM 0 HB2 LEU B 577 18.888 -7.509 5.811 1.00 0.00 H new ATOM 0 HB3 LEU B 577 19.850 -8.876 5.283 1.00 0.00 H new ATOM 0 HG LEU B 577 19.613 -9.579 7.845 1.00 0.00 H new ATOM 0 HD11 LEU B 577 17.368 -9.014 8.688 1.00 0.00 H new ATOM 0 HD12 LEU B 577 18.391 -7.569 8.513 1.00 0.00 H new ATOM 0 HD13 LEU B 577 17.130 -7.918 7.307 1.00 0.00 H new ATOM 0 HD21 LEU B 577 17.670 -10.948 7.187 1.00 0.00 H new ATOM 0 HD22 LEU B 577 17.445 -9.927 5.747 1.00 0.00 H new ATOM 0 HD23 LEU B 577 18.915 -10.916 5.916 1.00 0.00 H new ATOM 906 N ALA B 578 21.898 -5.404 6.367 1.00 0.00 N ATOM 907 CA ALA B 578 22.246 -4.178 5.661 1.00 0.00 C ATOM 908 C ALA B 578 22.766 -4.479 4.260 1.00 0.00 C ATOM 909 O ALA B 578 22.272 -3.934 3.274 1.00 0.00 O ATOM 910 CB ALA B 578 23.280 -3.389 6.451 1.00 0.00 C ATOM 0 H ALA B 578 22.285 -5.473 7.308 1.00 0.00 H new ATOM 0 HA ALA B 578 21.342 -3.576 5.563 1.00 0.00 H new ATOM 0 HB1 ALA B 578 23.531 -2.476 5.912 1.00 0.00 H new ATOM 0 HB2 ALA B 578 22.873 -3.133 7.429 1.00 0.00 H new ATOM 0 HB3 ALA B 578 24.178 -3.993 6.579 1.00 0.00 H new ATOM 916 N GLY B 579 23.766 -5.351 4.179 1.00 0.00 N ATOM 917 CA GLY B 579 24.337 -5.709 2.894 1.00 0.00 C ATOM 918 C GLY B 579 23.304 -6.273 1.938 1.00 0.00 C ATOM 919 O GLY B 579 23.281 -5.921 0.758 1.00 0.00 O ATOM 0 H GLY B 579 24.191 -5.816 4.981 1.00 0.00 H new ATOM 0 HA2 GLY B 579 24.799 -4.829 2.447 1.00 0.00 H new ATOM 0 HA3 GLY B 579 25.129 -6.443 3.043 1.00 0.00 H new ATOM 923 N LYS B 580 22.447 -7.151 2.446 1.00 0.00 N ATOM 924 CA LYS B 580 21.406 -7.766 1.630 1.00 0.00 C ATOM 925 C LYS B 580 20.525 -6.703 0.981 1.00 0.00 C ATOM 926 O LYS B 580 20.445 -6.615 -0.244 1.00 0.00 O ATOM 927 CB LYS B 580 20.548 -8.704 2.483 1.00 0.00 C ATOM 928 CG LYS B 580 19.821 -9.765 1.675 1.00 0.00 C ATOM 929 CD LYS B 580 18.468 -9.270 1.193 1.00 0.00 C ATOM 930 CE LYS B 580 17.383 -9.517 2.230 1.00 0.00 C ATOM 931 NZ LYS B 580 17.288 -8.401 3.211 1.00 0.00 N ATOM 0 H LYS B 580 22.452 -7.453 3.420 1.00 0.00 H new ATOM 0 HA LYS B 580 21.890 -8.343 0.842 1.00 0.00 H new ATOM 0 HB2 LYS B 580 21.183 -9.193 3.221 1.00 0.00 H new ATOM 0 HB3 LYS B 580 19.816 -8.113 3.034 1.00 0.00 H new ATOM 0 HG2 LYS B 580 20.431 -10.052 0.818 1.00 0.00 H new ATOM 0 HG3 LYS B 580 19.686 -10.659 2.284 1.00 0.00 H new ATOM 0 HD2 LYS B 580 18.527 -8.204 0.973 1.00 0.00 H new ATOM 0 HD3 LYS B 580 18.205 -9.774 0.263 1.00 0.00 H new ATOM 0 HE2 LYS B 580 16.423 -9.642 1.729 1.00 0.00 H new ATOM 0 HE3 LYS B 580 17.591 -10.448 2.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 16.325 -8.363 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 17.968 -8.558 3.982 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 17.505 -7.502 2.736 1.00 0.00 H new ATOM 945 N ILE B 581 19.868 -5.899 1.810 1.00 0.00 N ATOM 946 CA ILE B 581 18.996 -4.841 1.315 1.00 0.00 C ATOM 947 C ILE B 581 19.776 -3.829 0.483 1.00 0.00 C ATOM 948 O ILE B 581 19.244 -3.241 -0.459 1.00 0.00 O ATOM 949 CB ILE B 581 18.292 -4.106 2.471 1.00 0.00 C ATOM 950 CG1 ILE B 581 19.324 -3.566 3.464 1.00 0.00 C ATOM 951 CG2 ILE B 581 17.311 -5.034 3.171 1.00 0.00 C ATOM 952 CD1 ILE B 581 18.727 -3.153 4.791 1.00 0.00 C ATOM 0 H ILE B 581 19.923 -5.960 2.827 1.00 0.00 H new ATOM 0 HA ILE B 581 18.244 -5.319 0.688 1.00 0.00 H new ATOM 0 HB ILE B 581 17.735 -3.264 2.060 1.00 0.00 H new ATOM 0 HG12 ILE B 581 20.083 -4.329 3.638 1.00 0.00 H new ATOM 0 HG13 ILE B 581 19.830 -2.709 3.020 1.00 0.00 H new ATOM 0 HG21 ILE B 581 16.822 -4.499 3.985 1.00 0.00 H new ATOM 0 HG22 ILE B 581 16.560 -5.374 2.458 1.00 0.00 H new ATOM 0 HG23 ILE B 581 17.847 -5.894 3.572 1.00 0.00 H new ATOM 0 HD11 ILE B 581 19.516 -2.780 5.445 1.00 0.00 H new ATOM 0 HD12 ILE B 581 17.989 -2.368 4.629 1.00 0.00 H new ATOM 0 HD13 ILE B 581 18.246 -4.013 5.257 1.00 0.00 H new ATOM 964 N THR B 582 21.042 -3.631 0.837 1.00 0.00 N ATOM 965 CA THR B 582 21.897 -2.691 0.123 1.00 0.00 C ATOM 966 C THR B 582 22.191 -3.180 -1.290 1.00 0.00 C ATOM 967 O THR B 582 22.361 -2.381 -2.211 1.00 0.00 O ATOM 968 CB THR B 582 23.228 -2.467 0.865 1.00 0.00 C ATOM 969 OG1 THR B 582 22.995 -1.760 2.087 1.00 0.00 O ATOM 970 CG2 THR B 582 24.205 -1.686 -0.001 1.00 0.00 C ATOM 0 H THR B 582 21.498 -4.109 1.614 1.00 0.00 H new ATOM 0 HA THR B 582 21.355 -1.746 0.072 1.00 0.00 H new ATOM 0 HB THR B 582 23.663 -3.441 1.088 1.00 0.00 H new ATOM 0 HG1 THR B 582 22.951 -2.397 2.830 1.00 0.00 H new ATOM 0 HG21 THR B 582 25.138 -1.540 0.544 1.00 0.00 H new ATOM 0 HG22 THR B 582 24.403 -2.242 -0.918 1.00 0.00 H new ATOM 0 HG23 THR B 582 23.775 -0.716 -0.251 1.00 0.00 H new ATOM 978 N GLY B 583 22.250 -4.498 -1.456 1.00 0.00 N ATOM 979 CA GLY B 583 22.524 -5.070 -2.761 1.00 0.00 C ATOM 980 C GLY B 583 21.425 -4.779 -3.764 1.00 0.00 C ATOM 981 O GLY B 583 21.689 -4.277 -4.856 1.00 0.00 O ATOM 0 H GLY B 583 22.113 -5.180 -0.710 1.00 0.00 H new ATOM 0 HA2 GLY B 583 23.468 -4.675 -3.136 1.00 0.00 H new ATOM 0 HA3 GLY B 583 22.646 -6.149 -2.663 1.00 0.00 H new ATOM 985 N MET B 584 20.189 -5.097 -3.393 1.00 0.00 N ATOM 986 CA MET B 584 19.046 -4.867 -4.269 1.00 0.00 C ATOM 987 C MET B 584 18.788 -3.374 -4.446 1.00 0.00 C ATOM 988 O MET B 584 18.557 -2.901 -5.559 1.00 0.00 O ATOM 989 CB MET B 584 17.798 -5.549 -3.704 1.00 0.00 C ATOM 990 CG MET B 584 17.486 -5.153 -2.271 1.00 0.00 C ATOM 991 SD MET B 584 16.794 -6.513 -1.309 1.00 0.00 S ATOM 992 CE MET B 584 15.052 -6.347 -1.694 1.00 0.00 C ATOM 0 H MET B 584 19.954 -5.514 -2.493 1.00 0.00 H new ATOM 0 HA MET B 584 19.275 -5.296 -5.244 1.00 0.00 H new ATOM 0 HB2 MET B 584 16.943 -5.304 -4.334 1.00 0.00 H new ATOM 0 HB3 MET B 584 17.931 -6.630 -3.753 1.00 0.00 H new ATOM 0 HG2 MET B 584 18.398 -4.799 -1.789 1.00 0.00 H new ATOM 0 HG3 MET B 584 16.783 -4.320 -2.273 1.00 0.00 H new ATOM 0 HE1 MET B 584 14.471 -6.999 -1.041 1.00 0.00 H new ATOM 0 HE2 MET B 584 14.743 -5.313 -1.542 1.00 0.00 H new ATOM 0 HE3 MET B 584 14.881 -6.628 -2.733 1.00 0.00 H new ATOM 1002 N LEU B 585 18.829 -2.637 -3.342 1.00 0.00 N ATOM 1003 CA LEU B 585 18.599 -1.197 -3.374 1.00 0.00 C ATOM 1004 C LEU B 585 19.551 -0.516 -4.353 1.00 0.00 C ATOM 1005 O LEU B 585 19.133 0.297 -5.178 1.00 0.00 O ATOM 1006 CB LEU B 585 18.774 -0.600 -1.977 1.00 0.00 C ATOM 1007 CG LEU B 585 17.493 -0.411 -1.163 1.00 0.00 C ATOM 1008 CD1 LEU B 585 16.538 0.530 -1.881 1.00 0.00 C ATOM 1009 CD2 LEU B 585 16.825 -1.753 -0.900 1.00 0.00 C ATOM 0 H LEU B 585 19.019 -3.013 -2.413 1.00 0.00 H new ATOM 0 HA LEU B 585 17.576 -1.025 -3.709 1.00 0.00 H new ATOM 0 HB2 LEU B 585 19.449 -1.242 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU B 585 19.264 0.369 -2.076 1.00 0.00 H new ATOM 0 HG LEU B 585 17.757 0.035 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU B 585 15.632 0.652 -1.287 1.00 0.00 H new ATOM 0 HD12 LEU B 585 17.016 1.500 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU B 585 16.280 0.113 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU B 585 15.915 -1.599 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU B 585 16.574 -2.227 -1.849 1.00 0.00 H new ATOM 0 HD23 LEU B 585 17.507 -2.396 -0.343 1.00 0.00 H new ATOM 1021 N LEU B 586 20.832 -0.854 -4.256 1.00 0.00 N ATOM 1022 CA LEU B 586 21.844 -0.277 -5.134 1.00 0.00 C ATOM 1023 C LEU B 586 21.690 -0.799 -6.559 1.00 0.00 C ATOM 1024 O LEU B 586 22.167 -0.182 -7.511 1.00 0.00 O ATOM 1025 CB LEU B 586 23.245 -0.597 -4.610 1.00 0.00 C ATOM 1026 CG LEU B 586 23.882 -1.883 -5.139 1.00 0.00 C ATOM 1027 CD1 LEU B 586 24.651 -1.608 -6.421 1.00 0.00 C ATOM 1028 CD2 LEU B 586 24.795 -2.497 -4.088 1.00 0.00 C ATOM 0 H LEU B 586 21.195 -1.525 -3.578 1.00 0.00 H new ATOM 0 HA LEU B 586 21.706 0.804 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU B 586 23.902 0.238 -4.855 1.00 0.00 H new ATOM 0 HB3 LEU B 586 23.199 -0.658 -3.523 1.00 0.00 H new ATOM 0 HG LEU B 586 23.088 -2.595 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU B 586 25.098 -2.534 -6.783 1.00 0.00 H new ATOM 0 HD12 LEU B 586 23.971 -1.214 -7.176 1.00 0.00 H new ATOM 0 HD13 LEU B 586 25.437 -0.879 -6.225 1.00 0.00 H new ATOM 0 HD21 LEU B 586 25.240 -3.411 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU B 586 25.584 -1.790 -3.834 1.00 0.00 H new ATOM 0 HD23 LEU B 586 24.216 -2.731 -3.195 1.00 0.00 H new ATOM 1040 N GLU B 587 21.019 -1.938 -6.697 1.00 0.00 N ATOM 1041 CA GLU B 587 20.802 -2.542 -8.007 1.00 0.00 C ATOM 1042 C GLU B 587 19.707 -1.804 -8.771 1.00 0.00 C ATOM 1043 O GLU B 587 19.616 -1.901 -9.995 1.00 0.00 O ATOM 1044 CB GLU B 587 20.428 -4.018 -7.857 1.00 0.00 C ATOM 1045 CG GLU B 587 18.957 -4.302 -8.108 1.00 0.00 C ATOM 1046 CD GLU B 587 18.638 -4.469 -9.581 1.00 0.00 C ATOM 1047 OE1 GLU B 587 19.433 -5.118 -10.291 1.00 0.00 O ATOM 1048 OE2 GLU B 587 17.592 -3.950 -10.023 1.00 0.00 O ATOM 0 H GLU B 587 20.617 -2.461 -5.919 1.00 0.00 H new ATOM 0 HA GLU B 587 21.731 -2.466 -8.572 1.00 0.00 H new ATOM 0 HB2 GLU B 587 21.027 -4.608 -8.551 1.00 0.00 H new ATOM 0 HB3 GLU B 587 20.687 -4.349 -6.851 1.00 0.00 H new ATOM 0 HG2 GLU B 587 18.669 -5.207 -7.573 1.00 0.00 H new ATOM 0 HG3 GLU B 587 18.359 -3.487 -7.701 1.00 0.00 H new ATOM 1055 N ILE B 588 18.877 -1.067 -8.040 1.00 0.00 N ATOM 1056 CA ILE B 588 17.789 -0.312 -8.648 1.00 0.00 C ATOM 1057 C ILE B 588 18.280 0.494 -9.845 1.00 0.00 C ATOM 1058 O ILE B 588 17.838 0.282 -10.974 1.00 0.00 O ATOM 1059 CB ILE B 588 17.131 0.644 -7.635 1.00 0.00 C ATOM 1060 CG1 ILE B 588 16.566 -0.144 -6.451 1.00 0.00 C ATOM 1061 CG2 ILE B 588 16.036 1.458 -8.308 1.00 0.00 C ATOM 1062 CD1 ILE B 588 16.115 0.732 -5.303 1.00 0.00 C ATOM 0 H ILE B 588 18.938 -0.977 -7.026 1.00 0.00 H new ATOM 0 HA ILE B 588 17.049 -1.040 -8.982 1.00 0.00 H new ATOM 0 HB ILE B 588 17.889 1.332 -7.261 1.00 0.00 H new ATOM 0 HG12 ILE B 588 15.722 -0.744 -6.793 1.00 0.00 H new ATOM 0 HG13 ILE B 588 17.325 -0.838 -6.091 1.00 0.00 H new ATOM 0 HG21 ILE B 588 15.581 2.129 -7.579 1.00 0.00 H new ATOM 0 HG22 ILE B 588 16.465 2.043 -9.121 1.00 0.00 H new ATOM 0 HG23 ILE B 588 15.276 0.786 -8.707 1.00 0.00 H new ATOM 0 HD11 ILE B 588 15.726 0.107 -4.499 1.00 0.00 H new ATOM 0 HD12 ILE B 588 16.961 1.313 -4.934 1.00 0.00 H new ATOM 0 HD13 ILE B 588 15.333 1.409 -5.647 1.00 0.00 H new ATOM 1074 N ASP B 589 19.200 1.419 -9.591 1.00 0.00 N ATOM 1075 CA ASP B 589 19.755 2.256 -10.648 1.00 0.00 C ATOM 1076 C ASP B 589 20.744 3.268 -10.077 1.00 0.00 C ATOM 1077 O ASP B 589 20.429 3.996 -9.138 1.00 0.00 O ATOM 1078 CB ASP B 589 18.635 2.984 -11.393 1.00 0.00 C ATOM 1079 CG ASP B 589 18.724 2.801 -12.895 1.00 0.00 C ATOM 1080 OD1 ASP B 589 18.250 1.760 -13.396 1.00 0.00 O ATOM 1081 OD2 ASP B 589 19.269 3.700 -13.570 1.00 0.00 O ATOM 0 H ASP B 589 19.577 1.608 -8.662 1.00 0.00 H new ATOM 0 HA ASP B 589 20.286 1.610 -11.347 1.00 0.00 H new ATOM 0 HB2 ASP B 589 17.671 2.617 -11.042 1.00 0.00 H new ATOM 0 HB3 ASP B 589 18.677 4.047 -11.156 1.00 0.00 H new ATOM 1086 N ASN B 590 21.942 3.305 -10.652 1.00 0.00 N ATOM 1087 CA ASN B 590 22.978 4.226 -10.199 1.00 0.00 C ATOM 1088 C ASN B 590 22.578 5.673 -10.474 1.00 0.00 C ATOM 1089 O ASN B 590 22.996 6.588 -9.765 1.00 0.00 O ATOM 1090 CB ASN B 590 24.306 3.912 -10.890 1.00 0.00 C ATOM 1091 CG ASN B 590 24.878 2.574 -10.463 1.00 0.00 C ATOM 1092 OD1 ASN B 590 24.160 1.576 -10.386 1.00 0.00 O ATOM 1093 ND2 ASN B 590 26.176 2.547 -10.184 1.00 0.00 N ATOM 0 H ASN B 590 22.219 2.708 -11.432 1.00 0.00 H new ATOM 0 HA ASN B 590 23.097 4.099 -9.123 1.00 0.00 H new ATOM 0 HB2 ASN B 590 24.160 3.913 -11.970 1.00 0.00 H new ATOM 0 HB3 ASN B 590 25.025 4.700 -10.665 1.00 0.00 H new ATOM 0 HD21 ASN B 590 26.617 1.675 -9.892 1.00 0.00 H new ATOM 0 HD22 ASN B 590 26.732 3.399 -10.262 1.00 0.00 H new ATOM 1100 N SER B 591 21.766 5.870 -11.508 1.00 0.00 N ATOM 1101 CA SER B 591 21.312 7.205 -11.879 1.00 0.00 C ATOM 1102 C SER B 591 20.508 7.839 -10.748 1.00 0.00 C ATOM 1103 O SER B 591 20.752 8.983 -10.366 1.00 0.00 O ATOM 1104 CB SER B 591 20.464 7.143 -13.151 1.00 0.00 C ATOM 1105 OG SER B 591 20.164 8.443 -13.627 1.00 0.00 O ATOM 0 H SER B 591 21.409 5.122 -12.103 1.00 0.00 H new ATOM 0 HA SER B 591 22.191 7.822 -12.067 1.00 0.00 H new ATOM 0 HB2 SER B 591 20.997 6.585 -13.920 1.00 0.00 H new ATOM 0 HB3 SER B 591 19.539 6.604 -12.949 1.00 0.00 H new ATOM 0 HG SER B 591 19.623 8.376 -14.441 1.00 0.00 H new ATOM 1111 N GLU B 592 19.548 7.087 -10.219 1.00 0.00 N ATOM 1112 CA GLU B 592 18.708 7.576 -9.133 1.00 0.00 C ATOM 1113 C GLU B 592 19.473 7.583 -7.813 1.00 0.00 C ATOM 1114 O GLU B 592 19.443 8.565 -7.070 1.00 0.00 O ATOM 1115 CB GLU B 592 17.452 6.712 -9.002 1.00 0.00 C ATOM 1116 CG GLU B 592 16.663 6.585 -10.294 1.00 0.00 C ATOM 1117 CD GLU B 592 15.914 7.855 -10.647 1.00 0.00 C ATOM 1118 OE1 GLU B 592 15.635 8.655 -9.730 1.00 0.00 O ATOM 1119 OE2 GLU B 592 15.607 8.049 -11.842 1.00 0.00 O ATOM 0 H GLU B 592 19.333 6.138 -10.525 1.00 0.00 H new ATOM 0 HA GLU B 592 18.415 8.599 -9.368 1.00 0.00 H new ATOM 0 HB2 GLU B 592 17.740 5.717 -8.663 1.00 0.00 H new ATOM 0 HB3 GLU B 592 16.807 7.137 -8.233 1.00 0.00 H new ATOM 0 HG2 GLU B 592 17.343 6.331 -11.107 1.00 0.00 H new ATOM 0 HG3 GLU B 592 15.953 5.763 -10.203 1.00 0.00 H new ATOM 1126 N LEU B 593 20.158 6.482 -7.527 1.00 0.00 N ATOM 1127 CA LEU B 593 20.932 6.359 -6.296 1.00 0.00 C ATOM 1128 C LEU B 593 21.871 7.548 -6.123 1.00 0.00 C ATOM 1129 O LEU B 593 21.985 8.110 -5.033 1.00 0.00 O ATOM 1130 CB LEU B 593 21.735 5.057 -6.303 1.00 0.00 C ATOM 1131 CG LEU B 593 20.918 3.765 -6.292 1.00 0.00 C ATOM 1132 CD1 LEU B 593 21.704 2.631 -6.932 1.00 0.00 C ATOM 1133 CD2 LEU B 593 20.516 3.400 -4.870 1.00 0.00 C ATOM 0 H LEU B 593 20.194 5.661 -8.131 1.00 0.00 H new ATOM 0 HA LEU B 593 20.236 6.344 -5.458 1.00 0.00 H new ATOM 0 HB2 LEU B 593 22.374 5.052 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU B 593 22.393 5.055 -5.434 1.00 0.00 H new ATOM 0 HG LEU B 593 20.011 3.926 -6.875 1.00 0.00 H new ATOM 0 HD11 LEU B 593 21.107 1.719 -6.915 1.00 0.00 H new ATOM 0 HD12 LEU B 593 21.942 2.890 -7.964 1.00 0.00 H new ATOM 0 HD13 LEU B 593 22.628 2.470 -6.376 1.00 0.00 H new ATOM 0 HD21 LEU B 593 19.935 2.478 -4.881 1.00 0.00 H new ATOM 0 HD22 LEU B 593 21.411 3.258 -4.264 1.00 0.00 H new ATOM 0 HD23 LEU B 593 19.914 4.203 -4.445 1.00 0.00 H new ATOM 1145 N LEU B 594 22.541 7.929 -7.206 1.00 0.00 N ATOM 1146 CA LEU B 594 23.469 9.054 -7.175 1.00 0.00 C ATOM 1147 C LEU B 594 22.823 10.275 -6.527 1.00 0.00 C ATOM 1148 O LEU B 594 23.481 11.033 -5.814 1.00 0.00 O ATOM 1149 CB LEU B 594 23.931 9.399 -8.592 1.00 0.00 C ATOM 1150 CG LEU B 594 25.134 10.336 -8.696 1.00 0.00 C ATOM 1151 CD1 LEU B 594 25.819 10.178 -10.045 1.00 0.00 C ATOM 1152 CD2 LEU B 594 24.706 11.780 -8.480 1.00 0.00 C ATOM 0 H LEU B 594 22.459 7.475 -8.116 1.00 0.00 H new ATOM 0 HA LEU B 594 24.334 8.764 -6.578 1.00 0.00 H new ATOM 0 HB2 LEU B 594 24.173 8.471 -9.110 1.00 0.00 H new ATOM 0 HB3 LEU B 594 23.095 9.853 -9.125 1.00 0.00 H new ATOM 0 HG LEU B 594 25.847 10.068 -7.916 1.00 0.00 H new ATOM 0 HD11 LEU B 594 26.673 10.853 -10.101 1.00 0.00 H new ATOM 0 HD12 LEU B 594 26.161 9.150 -10.161 1.00 0.00 H new ATOM 0 HD13 LEU B 594 25.114 10.418 -10.841 1.00 0.00 H new ATOM 0 HD21 LEU B 594 25.576 12.433 -8.558 1.00 0.00 H new ATOM 0 HD22 LEU B 594 23.974 12.060 -9.237 1.00 0.00 H new ATOM 0 HD23 LEU B 594 24.262 11.884 -7.490 1.00 0.00 H new ATOM 1164 N HIS B 595 21.531 10.458 -6.778 1.00 0.00 N ATOM 1165 CA HIS B 595 20.795 11.586 -6.217 1.00 0.00 C ATOM 1166 C HIS B 595 20.223 11.233 -4.847 1.00 0.00 C ATOM 1167 O HIS B 595 20.002 12.110 -4.012 1.00 0.00 O ATOM 1168 CB HIS B 595 19.668 12.007 -7.160 1.00 0.00 C ATOM 1169 CG HIS B 595 19.220 13.422 -6.964 1.00 0.00 C ATOM 1170 ND1 HIS B 595 20.075 14.437 -6.590 1.00 0.00 N ATOM 1171 CD2 HIS B 595 17.998 13.990 -7.093 1.00 0.00 C ATOM 1172 CE1 HIS B 595 19.399 15.568 -6.496 1.00 0.00 C ATOM 1173 NE2 HIS B 595 18.136 15.324 -6.797 1.00 0.00 N ATOM 0 H HIS B 595 20.972 9.840 -7.366 1.00 0.00 H new ATOM 0 HA HIS B 595 21.489 12.418 -6.099 1.00 0.00 H new ATOM 0 HB2 HIS B 595 20.001 11.879 -8.190 1.00 0.00 H new ATOM 0 HB3 HIS B 595 18.817 11.342 -7.015 1.00 0.00 H new ATOM 0 HD2 HIS B 595 17.085 13.488 -7.376 1.00 0.00 H new ATOM 0 HE1 HIS B 595 19.809 16.528 -6.220 1.00 0.00 H new ATOM 0 HE2 HIS B 595 17.385 16.014 -6.808 1.00 0.00 H new ATOM 1181 N MET B 596 19.985 9.945 -4.624 1.00 0.00 N ATOM 1182 CA MET B 596 19.439 9.477 -3.355 1.00 0.00 C ATOM 1183 C MET B 596 20.461 9.633 -2.233 1.00 0.00 C ATOM 1184 O MET B 596 20.100 9.728 -1.059 1.00 0.00 O ATOM 1185 CB MET B 596 19.008 8.014 -3.469 1.00 0.00 C ATOM 1186 CG MET B 596 17.815 7.801 -4.386 1.00 0.00 C ATOM 1187 SD MET B 596 17.535 6.062 -4.770 1.00 0.00 S ATOM 1188 CE MET B 596 17.713 5.324 -3.148 1.00 0.00 C ATOM 0 H MET B 596 20.161 9.207 -5.305 1.00 0.00 H new ATOM 0 HA MET B 596 18.568 10.087 -3.116 1.00 0.00 H new ATOM 0 HB2 MET B 596 19.848 7.424 -3.836 1.00 0.00 H new ATOM 0 HB3 MET B 596 18.764 7.637 -2.476 1.00 0.00 H new ATOM 0 HG2 MET B 596 16.922 8.213 -3.916 1.00 0.00 H new ATOM 0 HG3 MET B 596 17.971 8.353 -5.313 1.00 0.00 H new ATOM 0 HE1 MET B 596 17.395 4.282 -3.185 1.00 0.00 H new ATOM 0 HE2 MET B 596 18.757 5.374 -2.838 1.00 0.00 H new ATOM 0 HE3 MET B 596 17.096 5.866 -2.432 1.00 0.00 H new ATOM 1198 N LEU B 597 21.737 9.658 -2.601 1.00 0.00 N ATOM 1199 CA LEU B 597 22.812 9.801 -1.625 1.00 0.00 C ATOM 1200 C LEU B 597 22.529 10.957 -0.670 1.00 0.00 C ATOM 1201 O LEU B 597 22.519 10.779 0.548 1.00 0.00 O ATOM 1202 CB LEU B 597 24.147 10.028 -2.337 1.00 0.00 C ATOM 1203 CG LEU B 597 24.457 9.084 -3.499 1.00 0.00 C ATOM 1204 CD1 LEU B 597 25.886 9.282 -3.981 1.00 0.00 C ATOM 1205 CD2 LEU B 597 24.227 7.637 -3.086 1.00 0.00 C ATOM 0 H LEU B 597 22.053 9.581 -3.568 1.00 0.00 H new ATOM 0 HA LEU B 597 22.869 8.880 -1.045 1.00 0.00 H new ATOM 0 HB2 LEU B 597 24.167 11.051 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU B 597 24.947 9.942 -1.602 1.00 0.00 H new ATOM 0 HG LEU B 597 23.782 9.318 -4.322 1.00 0.00 H new ATOM 0 HD11 LEU B 597 26.089 8.602 -4.808 1.00 0.00 H new ATOM 0 HD12 LEU B 597 26.018 10.311 -4.317 1.00 0.00 H new ATOM 0 HD13 LEU B 597 26.577 9.076 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU B 597 24.452 6.979 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU B 597 24.877 7.390 -2.247 1.00 0.00 H new ATOM 0 HD23 LEU B 597 23.186 7.504 -2.790 1.00 0.00 H new ATOM 1217 N GLU B 598 22.298 12.139 -1.232 1.00 0.00 N ATOM 1218 CA GLU B 598 22.014 13.323 -0.429 1.00 0.00 C ATOM 1219 C GLU B 598 20.509 13.538 -0.290 1.00 0.00 C ATOM 1220 O GLU B 598 20.053 14.645 -0.007 1.00 0.00 O ATOM 1221 CB GLU B 598 22.661 14.559 -1.056 1.00 0.00 C ATOM 1222 CG GLU B 598 21.971 15.029 -2.326 1.00 0.00 C ATOM 1223 CD GLU B 598 22.831 15.975 -3.141 1.00 0.00 C ATOM 1224 OE1 GLU B 598 23.868 15.526 -3.673 1.00 0.00 O ATOM 1225 OE2 GLU B 598 22.467 17.165 -3.247 1.00 0.00 O ATOM 0 H GLU B 598 22.302 12.302 -2.239 1.00 0.00 H new ATOM 0 HA GLU B 598 22.435 13.166 0.564 1.00 0.00 H new ATOM 0 HB2 GLU B 598 22.656 15.370 -0.328 1.00 0.00 H new ATOM 0 HB3 GLU B 598 23.705 14.338 -1.280 1.00 0.00 H new ATOM 0 HG2 GLU B 598 21.711 14.164 -2.936 1.00 0.00 H new ATOM 0 HG3 GLU B 598 21.037 15.527 -2.065 1.00 0.00 H new ATOM 1232 N SER B 599 19.744 12.470 -0.493 1.00 0.00 N ATOM 1233 CA SER B 599 18.291 12.541 -0.395 1.00 0.00 C ATOM 1234 C SER B 599 17.785 11.728 0.792 1.00 0.00 C ATOM 1235 O SER B 599 17.349 10.585 0.654 1.00 0.00 O ATOM 1236 CB SER B 599 17.646 12.034 -1.687 1.00 0.00 C ATOM 1237 OG SER B 599 16.354 12.588 -1.863 1.00 0.00 O ATOM 0 H SER B 599 20.106 11.546 -0.726 1.00 0.00 H new ATOM 0 HA SER B 599 18.013 13.584 -0.243 1.00 0.00 H new ATOM 0 HB2 SER B 599 18.276 12.294 -2.538 1.00 0.00 H new ATOM 0 HB3 SER B 599 17.578 10.946 -1.661 1.00 0.00 H new ATOM 0 HG SER B 599 15.964 12.250 -2.696 1.00 0.00 H new ATOM 1243 N PRO B 600 17.844 12.331 1.989 1.00 0.00 N ATOM 1244 CA PRO B 600 17.397 11.682 3.225 1.00 0.00 C ATOM 1245 C PRO B 600 15.882 11.513 3.276 1.00 0.00 C ATOM 1246 O PRO B 600 15.351 10.864 4.177 1.00 0.00 O ATOM 1247 CB PRO B 600 17.865 12.644 4.320 1.00 0.00 C ATOM 1248 CG PRO B 600 17.946 13.971 3.649 1.00 0.00 C ATOM 1249 CD PRO B 600 18.352 13.692 2.228 1.00 0.00 C ATOM 0 HA PRO B 600 17.799 10.674 3.324 1.00 0.00 H new ATOM 0 HB2 PRO B 600 17.164 12.665 5.155 1.00 0.00 H new ATOM 0 HB3 PRO B 600 18.832 12.345 4.723 1.00 0.00 H new ATOM 0 HG2 PRO B 600 16.986 14.487 3.687 1.00 0.00 H new ATOM 0 HG3 PRO B 600 18.673 14.615 4.144 1.00 0.00 H new ATOM 0 HD2 PRO B 600 17.914 14.412 1.536 1.00 0.00 H new ATOM 0 HD3 PRO B 600 19.433 13.745 2.101 1.00 0.00 H new ATOM 1257 N GLU B 601 15.193 12.100 2.303 1.00 0.00 N ATOM 1258 CA GLU B 601 13.739 12.014 2.238 1.00 0.00 C ATOM 1259 C GLU B 601 13.302 10.840 1.367 1.00 0.00 C ATOM 1260 O GLU B 601 12.160 10.386 1.445 1.00 0.00 O ATOM 1261 CB GLU B 601 13.153 13.316 1.689 1.00 0.00 C ATOM 1262 CG GLU B 601 13.512 13.581 0.237 1.00 0.00 C ATOM 1263 CD GLU B 601 13.266 15.021 -0.172 1.00 0.00 C ATOM 1264 OE1 GLU B 601 13.593 15.927 0.623 1.00 0.00 O ATOM 1265 OE2 GLU B 601 12.747 15.241 -1.286 1.00 0.00 O ATOM 0 H GLU B 601 15.618 12.640 1.549 1.00 0.00 H new ATOM 0 HA GLU B 601 13.365 11.853 3.249 1.00 0.00 H new ATOM 0 HB2 GLU B 601 12.068 13.285 1.786 1.00 0.00 H new ATOM 0 HB3 GLU B 601 13.504 14.148 2.299 1.00 0.00 H new ATOM 0 HG2 GLU B 601 14.562 13.336 0.076 1.00 0.00 H new ATOM 0 HG3 GLU B 601 12.928 12.920 -0.404 1.00 0.00 H new ATOM 1272 N SER B 602 14.218 10.352 0.537 1.00 0.00 N ATOM 1273 CA SER B 602 13.927 9.234 -0.352 1.00 0.00 C ATOM 1274 C SER B 602 14.550 7.945 0.175 1.00 0.00 C ATOM 1275 O SER B 602 13.941 6.876 0.112 1.00 0.00 O ATOM 1276 CB SER B 602 14.448 9.526 -1.761 1.00 0.00 C ATOM 1277 OG SER B 602 14.520 8.340 -2.534 1.00 0.00 O ATOM 0 H SER B 602 15.169 10.714 0.462 1.00 0.00 H new ATOM 0 HA SER B 602 12.845 9.105 -0.391 1.00 0.00 H new ATOM 0 HB2 SER B 602 13.793 10.245 -2.253 1.00 0.00 H new ATOM 0 HB3 SER B 602 15.435 9.984 -1.699 1.00 0.00 H new ATOM 0 HG SER B 602 14.699 8.570 -3.470 1.00 0.00 H new ATOM 1283 N LEU B 603 15.767 8.053 0.695 1.00 0.00 N ATOM 1284 CA LEU B 603 16.475 6.896 1.234 1.00 0.00 C ATOM 1285 C LEU B 603 15.592 6.124 2.210 1.00 0.00 C ATOM 1286 O LEU B 603 15.466 4.903 2.116 1.00 0.00 O ATOM 1287 CB LEU B 603 17.761 7.341 1.934 1.00 0.00 C ATOM 1288 CG LEU B 603 18.559 6.240 2.633 1.00 0.00 C ATOM 1289 CD1 LEU B 603 19.229 5.335 1.611 1.00 0.00 C ATOM 1290 CD2 LEU B 603 19.593 6.845 3.571 1.00 0.00 C ATOM 0 H LEU B 603 16.285 8.930 0.755 1.00 0.00 H new ATOM 0 HA LEU B 603 16.730 6.237 0.404 1.00 0.00 H new ATOM 0 HB2 LEU B 603 18.407 7.818 1.196 1.00 0.00 H new ATOM 0 HB3 LEU B 603 17.505 8.101 2.672 1.00 0.00 H new ATOM 0 HG LEU B 603 17.869 5.638 3.224 1.00 0.00 H new ATOM 0 HD11 LEU B 603 19.792 4.558 2.127 1.00 0.00 H new ATOM 0 HD12 LEU B 603 18.469 4.874 0.980 1.00 0.00 H new ATOM 0 HD13 LEU B 603 19.906 5.924 0.992 1.00 0.00 H new ATOM 0 HD21 LEU B 603 20.152 6.047 4.060 1.00 0.00 H new ATOM 0 HD22 LEU B 603 20.279 7.472 3.001 1.00 0.00 H new ATOM 0 HD23 LEU B 603 19.090 7.450 4.325 1.00 0.00 H new ATOM 1302 N ARG B 604 14.982 6.845 3.145 1.00 0.00 N ATOM 1303 CA ARG B 604 14.110 6.228 4.137 1.00 0.00 C ATOM 1304 C ARG B 604 13.012 5.410 3.463 1.00 0.00 C ATOM 1305 O ARG B 604 12.749 4.270 3.846 1.00 0.00 O ATOM 1306 CB ARG B 604 13.485 7.298 5.035 1.00 0.00 C ATOM 1307 CG ARG B 604 14.503 8.235 5.664 1.00 0.00 C ATOM 1308 CD ARG B 604 15.447 7.489 6.594 1.00 0.00 C ATOM 1309 NE ARG B 604 16.628 8.282 6.926 1.00 0.00 N ATOM 1310 CZ ARG B 604 17.379 8.067 8.000 1.00 0.00 C ATOM 1311 NH1 ARG B 604 17.073 7.089 8.842 1.00 0.00 N ATOM 1312 NH2 ARG B 604 18.438 8.831 8.234 1.00 0.00 N ATOM 0 H ARG B 604 15.076 7.857 3.236 1.00 0.00 H new ATOM 0 HA ARG B 604 14.715 5.558 4.748 1.00 0.00 H new ATOM 0 HB2 ARG B 604 12.777 7.884 4.449 1.00 0.00 H new ATOM 0 HB3 ARG B 604 12.916 6.810 5.826 1.00 0.00 H new ATOM 0 HG2 ARG B 604 15.078 8.729 4.880 1.00 0.00 H new ATOM 0 HG3 ARG B 604 13.985 9.016 6.220 1.00 0.00 H new ATOM 0 HD2 ARG B 604 14.919 7.224 7.510 1.00 0.00 H new ATOM 0 HD3 ARG B 604 15.757 6.556 6.124 1.00 0.00 H new ATOM 0 HE ARG B 604 16.890 9.042 6.299 1.00 0.00 H new ATOM 0 HH11 ARG B 604 16.259 6.500 8.665 1.00 0.00 H new ATOM 0 HH12 ARG B 604 17.651 6.926 9.666 1.00 0.00 H new ATOM 0 HH21 ARG B 604 18.676 9.584 7.589 1.00 0.00 H new ATOM 0 HH22 ARG B 604 19.014 8.665 9.059 1.00 0.00 H new ATOM 1326 N SER B 605 12.374 6.001 2.457 1.00 0.00 N ATOM 1327 CA SER B 605 11.302 5.329 1.732 1.00 0.00 C ATOM 1328 C SER B 605 11.798 4.027 1.112 1.00 0.00 C ATOM 1329 O SER B 605 11.134 2.993 1.194 1.00 0.00 O ATOM 1330 CB SER B 605 10.743 6.246 0.642 1.00 0.00 C ATOM 1331 OG SER B 605 10.335 7.491 1.182 1.00 0.00 O ATOM 0 H SER B 605 12.581 6.943 2.126 1.00 0.00 H new ATOM 0 HA SER B 605 10.509 5.094 2.442 1.00 0.00 H new ATOM 0 HB2 SER B 605 11.501 6.409 -0.124 1.00 0.00 H new ATOM 0 HB3 SER B 605 9.896 5.763 0.155 1.00 0.00 H new ATOM 0 HG SER B 605 9.983 8.059 0.465 1.00 0.00 H new ATOM 1337 N LYS B 606 12.972 4.084 0.492 1.00 0.00 N ATOM 1338 CA LYS B 606 13.561 2.910 -0.142 1.00 0.00 C ATOM 1339 C LYS B 606 13.746 1.782 0.868 1.00 0.00 C ATOM 1340 O LYS B 606 13.216 0.685 0.693 1.00 0.00 O ATOM 1341 CB LYS B 606 14.907 3.268 -0.776 1.00 0.00 C ATOM 1342 CG LYS B 606 14.891 3.238 -2.294 1.00 0.00 C ATOM 1343 CD LYS B 606 14.322 4.523 -2.872 1.00 0.00 C ATOM 1344 CE LYS B 606 13.678 4.286 -4.229 1.00 0.00 C ATOM 1345 NZ LYS B 606 14.693 4.166 -5.312 1.00 0.00 N ATOM 0 H LYS B 606 13.535 4.931 0.415 1.00 0.00 H new ATOM 0 HA LYS B 606 12.880 2.568 -0.921 1.00 0.00 H new ATOM 0 HB2 LYS B 606 15.202 4.263 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS B 606 15.665 2.573 -0.415 1.00 0.00 H new ATOM 0 HG2 LYS B 606 15.904 3.088 -2.666 1.00 0.00 H new ATOM 0 HG3 LYS B 606 14.297 2.390 -2.636 1.00 0.00 H new ATOM 0 HD2 LYS B 606 13.584 4.937 -2.185 1.00 0.00 H new ATOM 0 HD3 LYS B 606 15.117 5.263 -2.969 1.00 0.00 H new ATOM 0 HE2 LYS B 606 13.077 3.377 -4.192 1.00 0.00 H new ATOM 0 HE3 LYS B 606 12.999 5.108 -4.457 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 14.220 3.921 -6.205 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 15.193 5.072 -5.421 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 15.376 3.421 -5.067 1.00 0.00 H new ATOM 1359 N VAL B 607 14.502 2.059 1.926 1.00 0.00 N ATOM 1360 CA VAL B 607 14.755 1.068 2.965 1.00 0.00 C ATOM 1361 C VAL B 607 13.453 0.454 3.468 1.00 0.00 C ATOM 1362 O VAL B 607 13.321 -0.768 3.544 1.00 0.00 O ATOM 1363 CB VAL B 607 15.512 1.685 4.156 1.00 0.00 C ATOM 1364 CG1 VAL B 607 15.797 0.629 5.213 1.00 0.00 C ATOM 1365 CG2 VAL B 607 16.801 2.342 3.685 1.00 0.00 C ATOM 0 H VAL B 607 14.950 2.961 2.086 1.00 0.00 H new ATOM 0 HA VAL B 607 15.371 0.289 2.516 1.00 0.00 H new ATOM 0 HB VAL B 607 14.883 2.453 4.605 1.00 0.00 H new ATOM 0 HG11 VAL B 607 16.332 1.084 6.047 1.00 0.00 H new ATOM 0 HG12 VAL B 607 14.857 0.210 5.571 1.00 0.00 H new ATOM 0 HG13 VAL B 607 16.406 -0.164 4.780 1.00 0.00 H new ATOM 0 HG21 VAL B 607 17.323 2.773 4.539 1.00 0.00 H new ATOM 0 HG22 VAL B 607 17.437 1.595 3.210 1.00 0.00 H new ATOM 0 HG23 VAL B 607 16.567 3.129 2.968 1.00 0.00 H new ATOM 1375 N ASP B 608 12.495 1.308 3.808 1.00 0.00 N ATOM 1376 CA ASP B 608 11.202 0.850 4.302 1.00 0.00 C ATOM 1377 C ASP B 608 10.491 -0.002 3.255 1.00 0.00 C ATOM 1378 O ASP B 608 9.920 -1.044 3.573 1.00 0.00 O ATOM 1379 CB ASP B 608 10.326 2.043 4.686 1.00 0.00 C ATOM 1380 CG ASP B 608 9.064 1.625 5.414 1.00 0.00 C ATOM 1381 OD1 ASP B 608 8.201 0.980 4.782 1.00 0.00 O ATOM 1382 OD2 ASP B 608 8.938 1.943 6.615 1.00 0.00 O ATOM 0 H ASP B 608 12.589 2.322 3.751 1.00 0.00 H new ATOM 0 HA ASP B 608 11.376 0.237 5.187 1.00 0.00 H new ATOM 0 HB2 ASP B 608 10.899 2.722 5.318 1.00 0.00 H new ATOM 0 HB3 ASP B 608 10.056 2.596 3.786 1.00 0.00 H new ATOM 1387 N GLU B 609 10.531 0.450 2.005 1.00 0.00 N ATOM 1388 CA GLU B 609 9.889 -0.271 0.912 1.00 0.00 C ATOM 1389 C GLU B 609 10.357 -1.723 0.869 1.00 0.00 C ATOM 1390 O GLU B 609 9.544 -2.646 0.828 1.00 0.00 O ATOM 1391 CB GLU B 609 10.187 0.413 -0.424 1.00 0.00 C ATOM 1392 CG GLU B 609 9.358 1.663 -0.666 1.00 0.00 C ATOM 1393 CD GLU B 609 8.018 1.359 -1.306 1.00 0.00 C ATOM 1394 OE1 GLU B 609 7.715 0.164 -1.507 1.00 0.00 O ATOM 1395 OE2 GLU B 609 7.272 2.315 -1.606 1.00 0.00 O ATOM 0 H GLU B 609 11.001 1.311 1.725 1.00 0.00 H new ATOM 0 HA GLU B 609 8.813 -0.260 1.085 1.00 0.00 H new ATOM 0 HB2 GLU B 609 11.244 0.676 -0.460 1.00 0.00 H new ATOM 0 HB3 GLU B 609 10.007 -0.295 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU B 609 9.196 2.176 0.282 1.00 0.00 H new ATOM 0 HG3 GLU B 609 9.916 2.346 -1.307 1.00 0.00 H new ATOM 1402 N ALA B 610 11.672 -1.915 0.877 1.00 0.00 N ATOM 1403 CA ALA B 610 12.248 -3.253 0.840 1.00 0.00 C ATOM 1404 C ALA B 610 11.852 -4.056 2.075 1.00 0.00 C ATOM 1405 O ALA B 610 11.289 -5.145 1.965 1.00 0.00 O ATOM 1406 CB ALA B 610 13.763 -3.172 0.724 1.00 0.00 C ATOM 0 H ALA B 610 12.358 -1.161 0.909 1.00 0.00 H new ATOM 0 HA ALA B 610 11.854 -3.767 -0.037 1.00 0.00 H new ATOM 0 HB1 ALA B 610 14.180 -4.179 0.697 1.00 0.00 H new ATOM 0 HB2 ALA B 610 14.030 -2.644 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA B 610 14.165 -2.635 1.583 1.00 0.00 H new ATOM 1412 N VAL B 611 12.150 -3.511 3.250 1.00 0.00 N ATOM 1413 CA VAL B 611 11.825 -4.177 4.506 1.00 0.00 C ATOM 1414 C VAL B 611 10.367 -4.624 4.529 1.00 0.00 C ATOM 1415 O VAL B 611 10.030 -5.646 5.126 1.00 0.00 O ATOM 1416 CB VAL B 611 12.088 -3.258 5.713 1.00 0.00 C ATOM 1417 CG1 VAL B 611 11.707 -3.956 7.009 1.00 0.00 C ATOM 1418 CG2 VAL B 611 13.545 -2.821 5.741 1.00 0.00 C ATOM 0 H VAL B 611 12.616 -2.610 3.359 1.00 0.00 H new ATOM 0 HA VAL B 611 12.472 -5.052 4.578 1.00 0.00 H new ATOM 0 HB VAL B 611 11.467 -2.368 5.612 1.00 0.00 H new ATOM 0 HG11 VAL B 611 11.900 -3.291 7.851 1.00 0.00 H new ATOM 0 HG12 VAL B 611 10.648 -4.214 6.986 1.00 0.00 H new ATOM 0 HG13 VAL B 611 12.299 -4.864 7.121 1.00 0.00 H new ATOM 0 HG21 VAL B 611 13.714 -2.172 6.600 1.00 0.00 H new ATOM 0 HG22 VAL B 611 14.187 -3.699 5.818 1.00 0.00 H new ATOM 0 HG23 VAL B 611 13.780 -2.279 4.825 1.00 0.00 H new ATOM 1428 N ALA B 612 9.507 -3.850 3.876 1.00 0.00 N ATOM 1429 CA ALA B 612 8.085 -4.167 3.819 1.00 0.00 C ATOM 1430 C ALA B 612 7.816 -5.314 2.851 1.00 0.00 C ATOM 1431 O ALA B 612 6.971 -6.171 3.108 1.00 0.00 O ATOM 1432 CB ALA B 612 7.285 -2.936 3.418 1.00 0.00 C ATOM 0 H ALA B 612 9.770 -2.999 3.379 1.00 0.00 H new ATOM 0 HA ALA B 612 7.769 -4.484 4.813 1.00 0.00 H new ATOM 0 HB1 ALA B 612 6.225 -3.188 3.379 1.00 0.00 H new ATOM 0 HB2 ALA B 612 7.444 -2.144 4.150 1.00 0.00 H new ATOM 0 HB3 ALA B 612 7.612 -2.593 2.436 1.00 0.00 H new ATOM 1438 N VAL B 613 8.541 -5.323 1.736 1.00 0.00 N ATOM 1439 CA VAL B 613 8.381 -6.366 0.730 1.00 0.00 C ATOM 1440 C VAL B 613 8.563 -7.751 1.339 1.00 0.00 C ATOM 1441 O VAL B 613 8.041 -8.741 0.825 1.00 0.00 O ATOM 1442 CB VAL B 613 9.384 -6.189 -0.426 1.00 0.00 C ATOM 1443 CG1 VAL B 613 10.586 -7.100 -0.233 1.00 0.00 C ATOM 1444 CG2 VAL B 613 8.709 -6.458 -1.763 1.00 0.00 C ATOM 0 H VAL B 613 9.244 -4.620 1.507 1.00 0.00 H new ATOM 0 HA VAL B 613 7.367 -6.276 0.339 1.00 0.00 H new ATOM 0 HB VAL B 613 9.736 -5.157 -0.424 1.00 0.00 H new ATOM 0 HG11 VAL B 613 11.284 -6.962 -1.059 1.00 0.00 H new ATOM 0 HG12 VAL B 613 11.082 -6.854 0.706 1.00 0.00 H new ATOM 0 HG13 VAL B 613 10.255 -8.138 -0.208 1.00 0.00 H new ATOM 0 HG21 VAL B 613 9.432 -6.328 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.327 -7.479 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL B 613 7.883 -5.760 -1.901 1.00 0.00 H new ATOM 1454 N LEU B 614 9.307 -7.815 2.438 1.00 0.00 N ATOM 1455 CA LEU B 614 9.558 -9.080 3.119 1.00 0.00 C ATOM 1456 C LEU B 614 8.292 -9.596 3.794 1.00 0.00 C ATOM 1457 O LEU B 614 7.885 -10.738 3.580 1.00 0.00 O ATOM 1458 CB LEU B 614 10.670 -8.911 4.156 1.00 0.00 C ATOM 1459 CG LEU B 614 10.926 -10.112 5.067 1.00 0.00 C ATOM 1460 CD1 LEU B 614 9.987 -10.085 6.263 1.00 0.00 C ATOM 1461 CD2 LEU B 614 10.769 -11.412 4.293 1.00 0.00 C ATOM 0 H LEU B 614 9.747 -7.006 2.876 1.00 0.00 H new ATOM 0 HA LEU B 614 9.873 -9.810 2.373 1.00 0.00 H new ATOM 0 HB2 LEU B 614 11.596 -8.674 3.631 1.00 0.00 H new ATOM 0 HB3 LEU B 614 10.429 -8.051 4.781 1.00 0.00 H new ATOM 0 HG LEU B 614 11.951 -10.053 5.434 1.00 0.00 H new ATOM 0 HD11 LEU B 614 10.184 -10.947 6.900 1.00 0.00 H new ATOM 0 HD12 LEU B 614 10.149 -9.169 6.832 1.00 0.00 H new ATOM 0 HD13 LEU B 614 8.954 -10.119 5.916 1.00 0.00 H new ATOM 0 HD21 LEU B 614 10.955 -12.256 4.957 1.00 0.00 H new ATOM 0 HD22 LEU B 614 9.756 -11.479 3.896 1.00 0.00 H new ATOM 0 HD23 LEU B 614 11.483 -11.434 3.470 1.00 0.00 H new ATOM 1473 N GLN B 615 7.673 -8.747 4.608 1.00 0.00 N ATOM 1474 CA GLN B 615 6.451 -9.118 5.312 1.00 0.00 C ATOM 1475 C GLN B 615 5.397 -9.637 4.339 1.00 0.00 C ATOM 1476 O GLN B 615 4.550 -10.451 4.703 1.00 0.00 O ATOM 1477 CB GLN B 615 5.901 -7.920 6.088 1.00 0.00 C ATOM 1478 CG GLN B 615 6.948 -7.205 6.926 1.00 0.00 C ATOM 1479 CD GLN B 615 6.373 -6.619 8.201 1.00 0.00 C ATOM 1480 OE1 GLN B 615 5.185 -6.767 8.486 1.00 0.00 O ATOM 1481 NE2 GLN B 615 7.217 -5.947 8.977 1.00 0.00 N ATOM 0 H GLN B 615 7.997 -7.798 4.796 1.00 0.00 H new ATOM 0 HA GLN B 615 6.694 -9.916 6.014 1.00 0.00 H new ATOM 0 HB2 GLN B 615 5.465 -7.211 5.384 1.00 0.00 H new ATOM 0 HB3 GLN B 615 5.095 -8.259 6.740 1.00 0.00 H new ATOM 0 HG2 GLN B 615 7.745 -7.904 7.179 1.00 0.00 H new ATOM 0 HG3 GLN B 615 7.399 -6.408 6.335 1.00 0.00 H new ATOM 0 HE21 GLN B 615 8.194 -5.849 8.702 1.00 0.00 H new ATOM 0 HE22 GLN B 615 6.887 -5.530 9.847 1.00 0.00 H new ATOM 1490 N ALA B 616 5.457 -9.159 3.100 1.00 0.00 N ATOM 1491 CA ALA B 616 4.509 -9.576 2.075 1.00 0.00 C ATOM 1492 C ALA B 616 4.697 -11.047 1.719 1.00 0.00 C ATOM 1493 O ALA B 616 3.732 -11.752 1.422 1.00 0.00 O ATOM 1494 CB ALA B 616 4.658 -8.708 0.834 1.00 0.00 C ATOM 0 H ALA B 616 6.152 -8.483 2.783 1.00 0.00 H new ATOM 0 HA ALA B 616 3.502 -9.451 2.474 1.00 0.00 H new ATOM 0 HB1 ALA B 616 3.944 -9.031 0.076 1.00 0.00 H new ATOM 0 HB2 ALA B 616 4.467 -7.667 1.093 1.00 0.00 H new ATOM 0 HB3 ALA B 616 5.671 -8.804 0.442 1.00 0.00 H new