USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0.0426 K(o=0.043,f=-0.72) USER MOD Single : B 556 GLN : amide:sc=-0.00833 X(o=-0.0083,f=0) USER MOD Single : B 558 GLN : amide:sc= -0.264 X(o=-0.26,f=0) USER MOD Single : B 559 LYS NZ :NH3+ -137:sc= -0.387 (180deg=-1.74!) USER MOD Single : B 560 GLN :FLIP amide:sc= -0.0522 F(o=-1.2,f=-0.052) USER MOD Single : B 561 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 571 GLN : amide:sc= -0.36 K(o=-0.36,f=-1.3) USER MOD Single : B 573 MET CE :methyl -179:sc= 0 (180deg=-0.000796) USER MOD Single : B 574 HIS :FLIP no HD1:sc= -0.0657 F(o=-1.3,f=-0.066) USER MOD Single : B 576 THR OG1 : rot 180:sc= 0 USER MOD Single : B 580 LYS NZ :NH3+ -162:sc= -0.0294 (180deg=-0.233) USER MOD Single : B 582 THR OG1 : rot 81:sc= 1.24 USER MOD Single : B 584 MET CE :methyl -176:sc= -1.41 (180deg=-1.46) USER MOD Single : B 590 ASN : amide:sc= -0.183 K(o=-0.18,f=-3.1!) USER MOD Single : B 591 SER OG : rot 180:sc= 0 USER MOD Single : B 595 HIS : no HD1:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : B 596 MET CE :methyl -150:sc= -1.68 (180deg=-3.17!) USER MOD Single : B 599 SER OG : rot 180:sc= 0 USER MOD Single : B 602 SER OG : rot 180:sc= 0 USER MOD Single : B 605 SER OG : rot 180:sc= -0.12 USER MOD Single : B 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 615 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 67 N VAL A 77 8.398 -2.050 -5.871 1.00 0.00 N ATOM 68 CA VAL A 77 8.284 -3.496 -5.727 1.00 0.00 C ATOM 69 C VAL A 77 9.647 -4.169 -5.840 1.00 0.00 C ATOM 70 O VAL A 77 9.994 -4.758 -6.864 1.00 0.00 O ATOM 71 CB VAL A 77 7.340 -4.093 -6.788 1.00 0.00 C ATOM 72 CG1 VAL A 77 7.766 -3.664 -8.184 1.00 0.00 C ATOM 73 CG2 VAL A 77 7.304 -5.610 -6.675 1.00 0.00 C ATOM 0 HA VAL A 77 7.870 -3.683 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 77 6.334 -3.714 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.088 -4.095 -8.920 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.736 -2.577 -8.256 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.781 -4.012 -8.378 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.632 -6.015 -7.432 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.306 -6.010 -6.828 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.947 -5.893 -5.685 1.00 0.00 H new ATOM 83 N PRO A 78 10.441 -4.081 -4.762 1.00 0.00 N ATOM 84 CA PRO A 78 11.780 -4.676 -4.715 1.00 0.00 C ATOM 85 C PRO A 78 11.736 -6.200 -4.679 1.00 0.00 C ATOM 86 O PRO A 78 10.722 -6.792 -4.313 1.00 0.00 O ATOM 87 CB PRO A 78 12.366 -4.127 -3.412 1.00 0.00 C ATOM 88 CG PRO A 78 11.181 -3.822 -2.562 1.00 0.00 C ATOM 89 CD PRO A 78 10.093 -3.393 -3.507 1.00 0.00 C ATOM 0 HA PRO A 78 12.367 -4.430 -5.600 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.019 -4.857 -2.933 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.964 -3.234 -3.592 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.877 -4.697 -1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.408 -3.034 -1.844 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.108 -3.689 -3.146 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.074 -2.311 -3.634 1.00 0.00 H new ATOM 97 N ASN A 79 12.843 -6.828 -5.061 1.00 0.00 N ATOM 98 CA ASN A 79 12.931 -8.284 -5.073 1.00 0.00 C ATOM 99 C ASN A 79 13.597 -8.799 -3.801 1.00 0.00 C ATOM 100 O ASN A 79 14.823 -8.806 -3.688 1.00 0.00 O ATOM 101 CB ASN A 79 13.712 -8.759 -6.299 1.00 0.00 C ATOM 102 CG ASN A 79 12.826 -8.926 -7.519 1.00 0.00 C ATOM 103 OD1 ASN A 79 12.422 -10.038 -7.859 1.00 0.00 O ATOM 104 ND2 ASN A 79 12.521 -7.818 -8.185 1.00 0.00 N ATOM 0 H ASN A 79 13.692 -6.352 -5.366 1.00 0.00 H new ATOM 0 HA ASN A 79 11.918 -8.684 -5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.503 -8.043 -6.523 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.197 -9.709 -6.072 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.929 -7.868 -9.014 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.878 -6.917 -7.867 1.00 0.00 H new ATOM 111 N VAL A 80 12.781 -9.230 -2.844 1.00 0.00 N ATOM 112 CA VAL A 80 13.291 -9.749 -1.581 1.00 0.00 C ATOM 113 C VAL A 80 14.341 -10.829 -1.814 1.00 0.00 C ATOM 114 O VAL A 80 15.214 -11.054 -0.974 1.00 0.00 O ATOM 115 CB VAL A 80 12.157 -10.329 -0.714 1.00 0.00 C ATOM 116 CG1 VAL A 80 11.274 -11.253 -1.538 1.00 0.00 C ATOM 117 CG2 VAL A 80 12.730 -11.061 0.491 1.00 0.00 C ATOM 0 H VAL A 80 11.764 -9.230 -2.920 1.00 0.00 H new ATOM 0 HA VAL A 80 13.748 -8.910 -1.056 1.00 0.00 H new ATOM 0 HB VAL A 80 11.542 -9.505 -0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.479 -11.653 -0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.836 -10.695 -2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.873 -12.074 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.916 -11.464 1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.369 -11.876 0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.317 -10.367 1.093 1.00 0.00 H new ATOM 127 N HIS A 81 14.253 -11.495 -2.960 1.00 0.00 N ATOM 128 CA HIS A 81 15.197 -12.552 -3.305 1.00 0.00 C ATOM 129 C HIS A 81 16.532 -11.964 -3.751 1.00 0.00 C ATOM 130 O HIS A 81 16.981 -12.198 -4.872 1.00 0.00 O ATOM 131 CB HIS A 81 14.622 -13.438 -4.411 1.00 0.00 C ATOM 132 CG HIS A 81 13.186 -13.806 -4.198 1.00 0.00 C ATOM 133 ND1 HIS A 81 12.136 -13.027 -4.636 1.00 0.00 N ATOM 134 CD2 HIS A 81 12.628 -14.880 -3.590 1.00 0.00 C ATOM 135 CE1 HIS A 81 10.995 -13.604 -4.305 1.00 0.00 C ATOM 136 NE2 HIS A 81 11.266 -14.730 -3.670 1.00 0.00 N ATOM 0 H HIS A 81 13.538 -11.322 -3.666 1.00 0.00 H new ATOM 0 HA HIS A 81 15.366 -13.158 -2.415 1.00 0.00 H new ATOM 0 HB2 HIS A 81 14.718 -12.921 -5.366 1.00 0.00 H new ATOM 0 HB3 HIS A 81 15.216 -14.350 -4.480 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.156 -15.701 -3.128 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.008 -13.220 -4.517 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.575 -15.382 -3.299 1.00 0.00 H new ATOM 144 N ALA A 82 17.161 -11.198 -2.865 1.00 0.00 N ATOM 145 CA ALA A 82 18.445 -10.577 -3.167 1.00 0.00 C ATOM 146 C ALA A 82 19.583 -11.294 -2.449 1.00 0.00 C ATOM 147 O ALA A 82 19.394 -12.372 -1.886 1.00 0.00 O ATOM 148 CB ALA A 82 18.422 -9.105 -2.785 1.00 0.00 C ATOM 0 H ALA A 82 16.802 -10.993 -1.933 1.00 0.00 H new ATOM 0 HA ALA A 82 18.618 -10.660 -4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 82 19.387 -8.654 -3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.639 -8.595 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.223 -9.009 -1.718 1.00 0.00 H new ATOM 154 N ALA A 83 20.766 -10.688 -2.473 1.00 0.00 N ATOM 155 CA ALA A 83 21.935 -11.268 -1.823 1.00 0.00 C ATOM 156 C ALA A 83 22.986 -10.203 -1.532 1.00 0.00 C ATOM 157 O ALA A 83 22.901 -9.082 -2.032 1.00 0.00 O ATOM 158 CB ALA A 83 22.525 -12.373 -2.686 1.00 0.00 C ATOM 0 H ALA A 83 20.940 -9.796 -2.936 1.00 0.00 H new ATOM 0 HA ALA A 83 21.616 -11.696 -0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 83 23.397 -12.797 -2.188 1.00 0.00 H new ATOM 0 HB2 ALA A 83 21.779 -13.153 -2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 83 22.822 -11.962 -3.651 1.00 0.00 H new ATOM 164 N GLU A 84 23.977 -10.561 -0.721 1.00 0.00 N ATOM 165 CA GLU A 84 25.044 -9.634 -0.363 1.00 0.00 C ATOM 166 C GLU A 84 25.660 -9.006 -1.610 1.00 0.00 C ATOM 167 O GLU A 84 26.145 -9.708 -2.497 1.00 0.00 O ATOM 168 CB GLU A 84 26.125 -10.354 0.446 1.00 0.00 C ATOM 169 CG GLU A 84 26.794 -11.491 -0.308 1.00 0.00 C ATOM 170 CD GLU A 84 27.654 -12.359 0.589 1.00 0.00 C ATOM 171 OE1 GLU A 84 28.222 -11.826 1.565 1.00 0.00 O ATOM 172 OE2 GLU A 84 27.760 -13.573 0.314 1.00 0.00 O ATOM 0 H GLU A 84 24.063 -11.486 -0.300 1.00 0.00 H new ATOM 0 HA GLU A 84 24.612 -8.841 0.247 1.00 0.00 H new ATOM 0 HB2 GLU A 84 26.884 -9.632 0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 84 25.681 -10.747 1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 84 26.030 -12.108 -0.780 1.00 0.00 H new ATOM 0 HG3 GLU A 84 27.410 -11.079 -1.108 1.00 0.00 H new ATOM 179 N PHE A 85 25.635 -7.679 -1.671 1.00 0.00 N ATOM 180 CA PHE A 85 26.189 -6.955 -2.809 1.00 0.00 C ATOM 181 C PHE A 85 27.687 -7.211 -2.939 1.00 0.00 C ATOM 182 O PHE A 85 28.240 -7.184 -4.039 1.00 0.00 O ATOM 183 CB PHE A 85 25.927 -5.455 -2.663 1.00 0.00 C ATOM 184 CG PHE A 85 27.033 -4.719 -1.962 1.00 0.00 C ATOM 185 CD1 PHE A 85 27.096 -4.691 -0.578 1.00 0.00 C ATOM 186 CD2 PHE A 85 28.009 -4.055 -2.687 1.00 0.00 C ATOM 187 CE1 PHE A 85 28.113 -4.015 0.071 1.00 0.00 C ATOM 188 CE2 PHE A 85 29.028 -3.377 -2.044 1.00 0.00 C ATOM 189 CZ PHE A 85 29.080 -3.357 -0.664 1.00 0.00 C ATOM 0 H PHE A 85 25.237 -7.083 -0.945 1.00 0.00 H new ATOM 0 HA PHE A 85 25.697 -7.316 -3.712 1.00 0.00 H new ATOM 0 HB2 PHE A 85 25.783 -5.021 -3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 85 24.998 -5.308 -2.112 1.00 0.00 H new ATOM 0 HD1 PHE A 85 26.342 -5.203 0.001 1.00 0.00 H new ATOM 0 HD2 PHE A 85 27.974 -4.067 -3.766 1.00 0.00 H new ATOM 0 HE1 PHE A 85 28.151 -4.002 1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 85 29.783 -2.863 -2.621 1.00 0.00 H new ATOM 0 HZ PHE A 85 29.875 -2.828 -0.160 1.00 0.00 H new ATOM 537 N GLN B 556 31.897 -1.325 -13.410 1.00 0.00 N ATOM 538 CA GLN B 556 31.784 -2.598 -12.709 1.00 0.00 C ATOM 539 C GLN B 556 32.043 -2.423 -11.216 1.00 0.00 C ATOM 540 O GLN B 556 31.584 -3.222 -10.400 1.00 0.00 O ATOM 541 CB GLN B 556 32.767 -3.615 -13.294 1.00 0.00 C ATOM 542 CG GLN B 556 32.411 -5.058 -12.974 1.00 0.00 C ATOM 543 CD GLN B 556 33.240 -6.051 -13.764 1.00 0.00 C ATOM 544 OE1 GLN B 556 34.009 -6.827 -13.196 1.00 0.00 O ATOM 545 NE2 GLN B 556 33.087 -6.034 -15.083 1.00 0.00 N ATOM 0 HA GLN B 556 30.767 -2.968 -12.841 1.00 0.00 H new ATOM 0 HB2 GLN B 556 32.805 -3.490 -14.376 1.00 0.00 H new ATOM 0 HB3 GLN B 556 33.766 -3.403 -12.913 1.00 0.00 H new ATOM 0 HG2 GLN B 556 32.555 -5.236 -11.908 1.00 0.00 H new ATOM 0 HG3 GLN B 556 31.354 -5.223 -13.185 1.00 0.00 H new ATOM 0 HE21 GLN B 556 32.439 -5.374 -15.513 1.00 0.00 H new ATOM 0 HE22 GLN B 556 33.618 -6.681 -15.666 1.00 0.00 H new ATOM 554 N GLU B 557 32.781 -1.374 -10.868 1.00 0.00 N ATOM 555 CA GLU B 557 33.101 -1.096 -9.473 1.00 0.00 C ATOM 556 C GLU B 557 32.090 -0.129 -8.864 1.00 0.00 C ATOM 557 O GLU B 557 31.962 -0.036 -7.644 1.00 0.00 O ATOM 558 CB GLU B 557 34.512 -0.515 -9.356 1.00 0.00 C ATOM 559 CG GLU B 557 35.601 -1.572 -9.272 1.00 0.00 C ATOM 560 CD GLU B 557 35.501 -2.601 -10.381 1.00 0.00 C ATOM 561 OE1 GLU B 557 34.594 -3.457 -10.316 1.00 0.00 O ATOM 562 OE2 GLU B 557 36.330 -2.551 -11.314 1.00 0.00 O ATOM 0 H GLU B 557 33.168 -0.703 -11.532 1.00 0.00 H new ATOM 0 HA GLU B 557 33.055 -2.036 -8.923 1.00 0.00 H new ATOM 0 HB2 GLU B 557 34.705 0.125 -10.217 1.00 0.00 H new ATOM 0 HB3 GLU B 557 34.563 0.118 -8.470 1.00 0.00 H new ATOM 0 HG2 GLU B 557 36.577 -1.088 -9.317 1.00 0.00 H new ATOM 0 HG3 GLU B 557 35.540 -2.076 -8.307 1.00 0.00 H new ATOM 569 N GLN B 558 31.374 0.588 -9.725 1.00 0.00 N ATOM 570 CA GLN B 558 30.375 1.549 -9.272 1.00 0.00 C ATOM 571 C GLN B 558 29.413 0.906 -8.279 1.00 0.00 C ATOM 572 O GLN B 558 29.209 1.416 -7.176 1.00 0.00 O ATOM 573 CB GLN B 558 29.597 2.108 -10.465 1.00 0.00 C ATOM 574 CG GLN B 558 30.290 3.274 -11.151 1.00 0.00 C ATOM 575 CD GLN B 558 29.436 3.906 -12.233 1.00 0.00 C ATOM 576 OE1 GLN B 558 29.334 5.129 -12.324 1.00 0.00 O ATOM 577 NE2 GLN B 558 28.818 3.072 -13.061 1.00 0.00 N ATOM 0 H GLN B 558 31.467 0.522 -10.739 1.00 0.00 H new ATOM 0 HA GLN B 558 30.894 2.366 -8.771 1.00 0.00 H new ATOM 0 HB2 GLN B 558 29.440 1.311 -11.192 1.00 0.00 H new ATOM 0 HB3 GLN B 558 28.612 2.429 -10.127 1.00 0.00 H new ATOM 0 HG2 GLN B 558 30.545 4.029 -10.407 1.00 0.00 H new ATOM 0 HG3 GLN B 558 31.227 2.929 -11.588 1.00 0.00 H new ATOM 0 HE21 GLN B 558 28.931 2.065 -12.948 1.00 0.00 H new ATOM 0 HE22 GLN B 558 28.230 3.439 -13.810 1.00 0.00 H new ATOM 586 N LYS B 559 28.823 -0.216 -8.675 1.00 0.00 N ATOM 587 CA LYS B 559 27.882 -0.930 -7.820 1.00 0.00 C ATOM 588 C LYS B 559 28.484 -1.183 -6.442 1.00 0.00 C ATOM 589 O LYS B 559 27.848 -0.924 -5.421 1.00 0.00 O ATOM 590 CB LYS B 559 27.481 -2.258 -8.466 1.00 0.00 C ATOM 591 CG LYS B 559 28.665 -3.099 -8.913 1.00 0.00 C ATOM 592 CD LYS B 559 28.219 -4.300 -9.729 1.00 0.00 C ATOM 593 CE LYS B 559 28.109 -3.960 -11.208 1.00 0.00 C ATOM 594 NZ LYS B 559 26.823 -3.281 -11.527 1.00 0.00 N ATOM 0 H LYS B 559 28.980 -0.651 -9.584 1.00 0.00 H new ATOM 0 HA LYS B 559 26.994 -0.309 -7.700 1.00 0.00 H new ATOM 0 HB2 LYS B 559 26.885 -2.832 -7.756 1.00 0.00 H new ATOM 0 HB3 LYS B 559 26.844 -2.056 -9.327 1.00 0.00 H new ATOM 0 HG2 LYS B 559 29.344 -2.487 -9.506 1.00 0.00 H new ATOM 0 HG3 LYS B 559 29.222 -3.438 -8.040 1.00 0.00 H new ATOM 0 HD2 LYS B 559 28.928 -5.116 -9.594 1.00 0.00 H new ATOM 0 HD3 LYS B 559 27.255 -4.652 -9.363 1.00 0.00 H new ATOM 0 HE2 LYS B 559 28.940 -3.316 -11.495 1.00 0.00 H new ATOM 0 HE3 LYS B 559 28.194 -4.873 -11.798 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 26.431 -3.675 -12.406 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 26.149 -3.431 -10.749 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 26.990 -2.262 -11.649 1.00 0.00 H new ATOM 608 N GLN B 560 29.713 -1.690 -6.422 1.00 0.00 N ATOM 609 CA GLN B 560 30.400 -1.977 -5.168 1.00 0.00 C ATOM 610 C GLN B 560 30.593 -0.705 -4.350 1.00 0.00 C ATOM 611 O GLN B 560 30.487 -0.722 -3.124 1.00 0.00 O ATOM 612 CB GLN B 560 31.755 -2.631 -5.443 1.00 0.00 C ATOM 613 CG GLN B 560 31.674 -3.827 -6.379 1.00 0.00 C ATOM 614 CD GLN B 560 30.881 -4.977 -5.789 1.00 0.00 C ATOM 615 OE1 GLN B 560 29.559 -4.851 -5.798 1.00 0.00 O flip ATOM 616 NE2 GLN B 560 31.450 -5.968 -5.330 1.00 0.00 N flip ATOM 0 H GLN B 560 30.253 -1.910 -7.259 1.00 0.00 H new ATOM 0 HA GLN B 560 29.782 -2.666 -4.593 1.00 0.00 H new ATOM 0 HB2 GLN B 560 32.427 -1.888 -5.873 1.00 0.00 H new ATOM 0 HB3 GLN B 560 32.194 -2.949 -4.498 1.00 0.00 H new ATOM 0 HG2 GLN B 560 31.215 -3.518 -7.318 1.00 0.00 H new ATOM 0 HG3 GLN B 560 32.682 -4.169 -6.614 1.00 0.00 H new ATOM 0 HE21 GLN B 560 32.468 -6.023 -5.343 1.00 0.00 H new ATOM 0 HE22 GLN B 560 30.903 -6.734 -4.936 1.00 0.00 H new ATOM 625 N MET B 561 30.877 0.397 -5.036 1.00 0.00 N ATOM 626 CA MET B 561 31.084 1.679 -4.372 1.00 0.00 C ATOM 627 C MET B 561 29.824 2.119 -3.635 1.00 0.00 C ATOM 628 O MET B 561 29.835 2.300 -2.417 1.00 0.00 O ATOM 629 CB MET B 561 31.493 2.745 -5.390 1.00 0.00 C ATOM 630 CG MET B 561 32.805 2.441 -6.096 1.00 0.00 C ATOM 631 SD MET B 561 33.895 3.874 -6.184 1.00 0.00 S ATOM 632 CE MET B 561 33.291 4.668 -7.672 1.00 0.00 C ATOM 0 H MET B 561 30.969 0.428 -6.051 1.00 0.00 H new ATOM 0 HA MET B 561 31.885 1.557 -3.643 1.00 0.00 H new ATOM 0 HB2 MET B 561 30.704 2.846 -6.135 1.00 0.00 H new ATOM 0 HB3 MET B 561 31.577 3.706 -4.883 1.00 0.00 H new ATOM 0 HG2 MET B 561 33.316 1.633 -5.573 1.00 0.00 H new ATOM 0 HG3 MET B 561 32.596 2.086 -7.105 1.00 0.00 H new ATOM 0 HE1 MET B 561 33.868 5.573 -7.861 1.00 0.00 H new ATOM 0 HE2 MET B 561 33.397 3.987 -8.517 1.00 0.00 H new ATOM 0 HE3 MET B 561 32.240 4.927 -7.545 1.00 0.00 H new ATOM 642 N LEU B 562 28.738 2.291 -4.381 1.00 0.00 N ATOM 643 CA LEU B 562 27.468 2.711 -3.798 1.00 0.00 C ATOM 644 C LEU B 562 27.073 1.801 -2.639 1.00 0.00 C ATOM 645 O LEU B 562 26.716 2.272 -1.560 1.00 0.00 O ATOM 646 CB LEU B 562 26.369 2.707 -4.862 1.00 0.00 C ATOM 647 CG LEU B 562 26.396 3.865 -5.860 1.00 0.00 C ATOM 648 CD1 LEU B 562 25.342 3.666 -6.938 1.00 0.00 C ATOM 649 CD2 LEU B 562 26.185 5.191 -5.143 1.00 0.00 C ATOM 0 H LEU B 562 28.711 2.146 -5.390 1.00 0.00 H new ATOM 0 HA LEU B 562 27.590 3.724 -3.415 1.00 0.00 H new ATOM 0 HB2 LEU B 562 26.434 1.772 -5.419 1.00 0.00 H new ATOM 0 HB3 LEU B 562 25.403 2.711 -4.358 1.00 0.00 H new ATOM 0 HG LEU B 562 27.375 3.885 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU B 562 25.376 4.500 -7.639 1.00 0.00 H new ATOM 0 HD12 LEU B 562 25.538 2.736 -7.471 1.00 0.00 H new ATOM 0 HD13 LEU B 562 24.355 3.619 -6.478 1.00 0.00 H new ATOM 0 HD21 LEU B 562 26.207 6.004 -5.868 1.00 0.00 H new ATOM 0 HD22 LEU B 562 25.219 5.182 -4.638 1.00 0.00 H new ATOM 0 HD23 LEU B 562 26.977 5.338 -4.409 1.00 0.00 H new ATOM 661 N GLY B 563 27.142 0.494 -2.870 1.00 0.00 N ATOM 662 CA GLY B 563 26.791 -0.462 -1.836 1.00 0.00 C ATOM 663 C GLY B 563 27.706 -0.374 -0.631 1.00 0.00 C ATOM 664 O GLY B 563 27.249 -0.442 0.510 1.00 0.00 O ATOM 0 H GLY B 563 27.435 0.080 -3.755 1.00 0.00 H new ATOM 0 HA2 GLY B 563 25.762 -0.290 -1.520 1.00 0.00 H new ATOM 0 HA3 GLY B 563 26.834 -1.470 -2.248 1.00 0.00 H new ATOM 668 N GLU B 564 29.003 -0.226 -0.884 1.00 0.00 N ATOM 669 CA GLU B 564 29.984 -0.132 0.190 1.00 0.00 C ATOM 670 C GLU B 564 29.657 1.028 1.126 1.00 0.00 C ATOM 671 O GLU B 564 29.723 0.891 2.348 1.00 0.00 O ATOM 672 CB GLU B 564 31.390 0.045 -0.387 1.00 0.00 C ATOM 673 CG GLU B 564 32.094 -1.267 -0.690 1.00 0.00 C ATOM 674 CD GLU B 564 32.664 -1.923 0.552 1.00 0.00 C ATOM 675 OE1 GLU B 564 31.890 -2.569 1.290 1.00 0.00 O ATOM 676 OE2 GLU B 564 33.883 -1.791 0.787 1.00 0.00 O ATOM 0 H GLU B 564 29.398 -0.169 -1.823 1.00 0.00 H new ATOM 0 HA GLU B 564 29.948 -1.059 0.762 1.00 0.00 H new ATOM 0 HB2 GLU B 564 31.326 0.633 -1.302 1.00 0.00 H new ATOM 0 HB3 GLU B 564 31.993 0.617 0.318 1.00 0.00 H new ATOM 0 HG2 GLU B 564 31.392 -1.950 -1.167 1.00 0.00 H new ATOM 0 HG3 GLU B 564 32.898 -1.087 -1.403 1.00 0.00 H new ATOM 683 N ARG B 565 29.306 2.170 0.544 1.00 0.00 N ATOM 684 CA ARG B 565 28.971 3.354 1.324 1.00 0.00 C ATOM 685 C ARG B 565 27.584 3.220 1.948 1.00 0.00 C ATOM 686 O ARG B 565 27.312 3.783 3.009 1.00 0.00 O ATOM 687 CB ARG B 565 29.027 4.604 0.444 1.00 0.00 C ATOM 688 CG ARG B 565 29.283 5.885 1.221 1.00 0.00 C ATOM 689 CD ARG B 565 30.768 6.202 1.299 1.00 0.00 C ATOM 690 NE ARG B 565 31.142 6.752 2.599 1.00 0.00 N ATOM 691 CZ ARG B 565 30.804 7.971 3.006 1.00 0.00 C ATOM 692 NH1 ARG B 565 30.088 8.761 2.219 1.00 0.00 N ATOM 693 NH2 ARG B 565 31.183 8.401 4.203 1.00 0.00 N ATOM 0 H ARG B 565 29.246 2.300 -0.466 1.00 0.00 H new ATOM 0 HA ARG B 565 29.704 3.449 2.125 1.00 0.00 H new ATOM 0 HB2 ARG B 565 29.812 4.478 -0.302 1.00 0.00 H new ATOM 0 HB3 ARG B 565 28.086 4.699 -0.097 1.00 0.00 H new ATOM 0 HG2 ARG B 565 28.758 6.712 0.744 1.00 0.00 H new ATOM 0 HG3 ARG B 565 28.877 5.788 2.228 1.00 0.00 H new ATOM 0 HD2 ARG B 565 31.343 5.295 1.110 1.00 0.00 H new ATOM 0 HD3 ARG B 565 31.029 6.914 0.516 1.00 0.00 H new ATOM 0 HE ARG B 565 31.693 6.169 3.229 1.00 0.00 H new ATOM 0 HH11 ARG B 565 29.795 8.434 1.298 1.00 0.00 H new ATOM 0 HH12 ARG B 565 29.830 9.696 2.534 1.00 0.00 H new ATOM 0 HH21 ARG B 565 31.734 7.796 4.811 1.00 0.00 H new ATOM 0 HH22 ARG B 565 30.923 9.337 4.515 1.00 0.00 H new ATOM 707 N LEU B 566 26.712 2.472 1.282 1.00 0.00 N ATOM 708 CA LEU B 566 25.353 2.263 1.770 1.00 0.00 C ATOM 709 C LEU B 566 25.338 1.275 2.932 1.00 0.00 C ATOM 710 O LEU B 566 24.426 1.288 3.760 1.00 0.00 O ATOM 711 CB LEU B 566 24.457 1.753 0.640 1.00 0.00 C ATOM 712 CG LEU B 566 24.072 2.779 -0.426 1.00 0.00 C ATOM 713 CD1 LEU B 566 23.769 2.089 -1.747 1.00 0.00 C ATOM 714 CD2 LEU B 566 22.878 3.604 0.033 1.00 0.00 C ATOM 0 H LEU B 566 26.921 2.000 0.402 1.00 0.00 H new ATOM 0 HA LEU B 566 24.970 3.219 2.125 1.00 0.00 H new ATOM 0 HB2 LEU B 566 24.963 0.921 0.149 1.00 0.00 H new ATOM 0 HB3 LEU B 566 23.542 1.355 1.080 1.00 0.00 H new ATOM 0 HG LEU B 566 24.917 3.452 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU B 566 23.497 2.835 -2.493 1.00 0.00 H new ATOM 0 HD12 LEU B 566 24.651 1.544 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU B 566 22.942 1.392 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU B 566 22.618 4.329 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU B 566 22.028 2.945 0.213 1.00 0.00 H new ATOM 0 HD23 LEU B 566 23.131 4.129 0.954 1.00 0.00 H new ATOM 726 N PHE B 567 26.354 0.420 2.989 1.00 0.00 N ATOM 727 CA PHE B 567 26.457 -0.574 4.051 1.00 0.00 C ATOM 728 C PHE B 567 26.348 0.083 5.424 1.00 0.00 C ATOM 729 O PHE B 567 25.478 -0.248 6.230 1.00 0.00 O ATOM 730 CB PHE B 567 27.782 -1.333 3.940 1.00 0.00 C ATOM 731 CG PHE B 567 28.271 -1.879 5.251 1.00 0.00 C ATOM 732 CD1 PHE B 567 27.463 -2.702 6.018 1.00 0.00 C ATOM 733 CD2 PHE B 567 29.539 -1.569 5.715 1.00 0.00 C ATOM 734 CE1 PHE B 567 27.911 -3.205 7.225 1.00 0.00 C ATOM 735 CE2 PHE B 567 29.993 -2.069 6.921 1.00 0.00 C ATOM 736 CZ PHE B 567 29.178 -2.889 7.677 1.00 0.00 C ATOM 0 H PHE B 567 27.117 0.396 2.313 1.00 0.00 H new ATOM 0 HA PHE B 567 25.632 -1.277 3.938 1.00 0.00 H new ATOM 0 HB2 PHE B 567 27.663 -2.155 3.235 1.00 0.00 H new ATOM 0 HB3 PHE B 567 28.540 -0.667 3.527 1.00 0.00 H new ATOM 0 HD1 PHE B 567 26.472 -2.953 5.669 1.00 0.00 H new ATOM 0 HD2 PHE B 567 30.180 -0.929 5.127 1.00 0.00 H new ATOM 0 HE1 PHE B 567 27.271 -3.845 7.815 1.00 0.00 H new ATOM 0 HE2 PHE B 567 30.983 -1.819 7.272 1.00 0.00 H new ATOM 0 HZ PHE B 567 29.530 -3.282 8.619 1.00 0.00 H new ATOM 746 N PRO B 568 27.251 1.036 5.697 1.00 0.00 N ATOM 747 CA PRO B 568 27.278 1.759 6.972 1.00 0.00 C ATOM 748 C PRO B 568 26.091 2.703 7.127 1.00 0.00 C ATOM 749 O PRO B 568 25.605 2.929 8.237 1.00 0.00 O ATOM 750 CB PRO B 568 28.586 2.552 6.902 1.00 0.00 C ATOM 751 CG PRO B 568 28.850 2.720 5.446 1.00 0.00 C ATOM 752 CD PRO B 568 28.316 1.481 4.782 1.00 0.00 C ATOM 0 HA PRO B 568 27.218 1.084 7.825 1.00 0.00 H new ATOM 0 HB2 PRO B 568 28.491 3.516 7.401 1.00 0.00 H new ATOM 0 HB3 PRO B 568 29.400 2.018 7.393 1.00 0.00 H new ATOM 0 HG2 PRO B 568 28.357 3.612 5.061 1.00 0.00 H new ATOM 0 HG3 PRO B 568 29.917 2.837 5.254 1.00 0.00 H new ATOM 0 HD2 PRO B 568 27.927 1.694 3.786 1.00 0.00 H new ATOM 0 HD3 PRO B 568 29.090 0.722 4.666 1.00 0.00 H new ATOM 760 N LEU B 569 25.627 3.252 6.010 1.00 0.00 N ATOM 761 CA LEU B 569 24.494 4.172 6.022 1.00 0.00 C ATOM 762 C LEU B 569 23.255 3.501 6.606 1.00 0.00 C ATOM 763 O LEU B 569 22.686 3.976 7.590 1.00 0.00 O ATOM 764 CB LEU B 569 24.200 4.668 4.606 1.00 0.00 C ATOM 765 CG LEU B 569 25.181 5.695 4.038 1.00 0.00 C ATOM 766 CD1 LEU B 569 25.052 5.776 2.524 1.00 0.00 C ATOM 767 CD2 LEU B 569 24.949 7.060 4.668 1.00 0.00 C ATOM 0 H LEU B 569 26.018 3.076 5.084 1.00 0.00 H new ATOM 0 HA LEU B 569 24.755 5.023 6.651 1.00 0.00 H new ATOM 0 HB2 LEU B 569 24.179 3.807 3.938 1.00 0.00 H new ATOM 0 HB3 LEU B 569 23.201 5.104 4.595 1.00 0.00 H new ATOM 0 HG LEU B 569 26.194 5.373 4.280 1.00 0.00 H new ATOM 0 HD11 LEU B 569 25.757 6.512 2.138 1.00 0.00 H new ATOM 0 HD12 LEU B 569 25.269 4.801 2.088 1.00 0.00 H new ATOM 0 HD13 LEU B 569 24.037 6.074 2.261 1.00 0.00 H new ATOM 0 HD21 LEU B 569 25.656 7.778 4.252 1.00 0.00 H new ATOM 0 HD22 LEU B 569 23.931 7.389 4.458 1.00 0.00 H new ATOM 0 HD23 LEU B 569 25.093 6.992 5.746 1.00 0.00 H new ATOM 779 N ILE B 570 22.843 2.396 5.995 1.00 0.00 N ATOM 780 CA ILE B 570 21.673 1.659 6.456 1.00 0.00 C ATOM 781 C ILE B 570 21.985 0.869 7.722 1.00 0.00 C ATOM 782 O ILE B 570 21.080 0.476 8.458 1.00 0.00 O ATOM 783 CB ILE B 570 21.154 0.692 5.375 1.00 0.00 C ATOM 784 CG1 ILE B 570 20.819 1.458 4.093 1.00 0.00 C ATOM 785 CG2 ILE B 570 19.935 -0.063 5.881 1.00 0.00 C ATOM 786 CD1 ILE B 570 21.164 0.701 2.830 1.00 0.00 C ATOM 0 H ILE B 570 23.302 1.991 5.179 1.00 0.00 H new ATOM 0 HA ILE B 570 20.900 2.397 6.672 1.00 0.00 H new ATOM 0 HB ILE B 570 21.937 -0.032 5.149 1.00 0.00 H new ATOM 0 HG12 ILE B 570 19.755 1.693 4.087 1.00 0.00 H new ATOM 0 HG13 ILE B 570 21.355 2.407 4.096 1.00 0.00 H new ATOM 0 HG21 ILE B 570 19.580 -0.742 5.106 1.00 0.00 H new ATOM 0 HG22 ILE B 570 20.204 -0.635 6.769 1.00 0.00 H new ATOM 0 HG23 ILE B 570 19.146 0.646 6.131 1.00 0.00 H new ATOM 0 HD11 ILE B 570 20.900 1.304 1.961 1.00 0.00 H new ATOM 0 HD12 ILE B 570 22.233 0.489 2.813 1.00 0.00 H new ATOM 0 HD13 ILE B 570 20.608 -0.236 2.804 1.00 0.00 H new ATOM 798 N GLN B 571 23.271 0.641 7.969 1.00 0.00 N ATOM 799 CA GLN B 571 23.702 -0.102 9.147 1.00 0.00 C ATOM 800 C GLN B 571 23.207 0.569 10.425 1.00 0.00 C ATOM 801 O GLN B 571 23.133 -0.061 11.479 1.00 0.00 O ATOM 802 CB GLN B 571 25.227 -0.215 9.175 1.00 0.00 C ATOM 803 CG GLN B 571 25.780 -0.670 10.516 1.00 0.00 C ATOM 804 CD GLN B 571 27.062 -1.467 10.379 1.00 0.00 C ATOM 805 OE1 GLN B 571 27.041 -2.640 10.007 1.00 0.00 O ATOM 806 NE2 GLN B 571 28.189 -0.831 10.680 1.00 0.00 N ATOM 0 H GLN B 571 24.032 0.960 7.369 1.00 0.00 H new ATOM 0 HA GLN B 571 23.271 -1.102 9.092 1.00 0.00 H new ATOM 0 HB2 GLN B 571 25.545 -0.916 8.404 1.00 0.00 H new ATOM 0 HB3 GLN B 571 25.659 0.753 8.923 1.00 0.00 H new ATOM 0 HG2 GLN B 571 25.964 0.202 11.143 1.00 0.00 H new ATOM 0 HG3 GLN B 571 25.032 -1.277 11.026 1.00 0.00 H new ATOM 0 HE21 GLN B 571 28.160 0.142 10.984 1.00 0.00 H new ATOM 0 HE22 GLN B 571 29.083 -1.316 10.607 1.00 0.00 H new ATOM 815 N ALA B 572 22.870 1.850 10.322 1.00 0.00 N ATOM 816 CA ALA B 572 22.380 2.605 11.469 1.00 0.00 C ATOM 817 C ALA B 572 20.872 2.445 11.628 1.00 0.00 C ATOM 818 O ALA B 572 20.262 3.061 12.501 1.00 0.00 O ATOM 819 CB ALA B 572 22.745 4.075 11.327 1.00 0.00 C ATOM 0 H ALA B 572 22.927 2.387 9.457 1.00 0.00 H new ATOM 0 HA ALA B 572 22.857 2.208 12.365 1.00 0.00 H new ATOM 0 HB1 ALA B 572 22.373 4.627 12.190 1.00 0.00 H new ATOM 0 HB2 ALA B 572 23.829 4.177 11.270 1.00 0.00 H new ATOM 0 HB3 ALA B 572 22.295 4.476 10.419 1.00 0.00 H new ATOM 825 N MET B 573 20.276 1.615 10.778 1.00 0.00 N ATOM 826 CA MET B 573 18.839 1.375 10.825 1.00 0.00 C ATOM 827 C MET B 573 18.534 -0.118 10.743 1.00 0.00 C ATOM 828 O MET B 573 17.923 -0.687 11.647 1.00 0.00 O ATOM 829 CB MET B 573 18.139 2.114 9.684 1.00 0.00 C ATOM 830 CG MET B 573 18.630 3.539 9.491 1.00 0.00 C ATOM 831 SD MET B 573 17.622 4.470 8.321 1.00 0.00 S ATOM 832 CE MET B 573 18.628 4.358 6.843 1.00 0.00 C ATOM 0 H MET B 573 20.766 1.098 10.048 1.00 0.00 H new ATOM 0 HA MET B 573 18.464 1.753 11.776 1.00 0.00 H new ATOM 0 HB2 MET B 573 18.287 1.559 8.758 1.00 0.00 H new ATOM 0 HB3 MET B 573 17.066 2.131 9.877 1.00 0.00 H new ATOM 0 HG2 MET B 573 18.630 4.052 10.453 1.00 0.00 H new ATOM 0 HG3 MET B 573 19.662 3.519 9.140 1.00 0.00 H new ATOM 0 HE1 MET B 573 18.145 4.903 6.032 1.00 0.00 H new ATOM 0 HE2 MET B 573 19.609 4.791 7.037 1.00 0.00 H new ATOM 0 HE3 MET B 573 18.743 3.312 6.559 1.00 0.00 H new ATOM 842 N HIS B 574 18.964 -0.745 9.653 1.00 0.00 N ATOM 843 CA HIS B 574 18.737 -2.172 9.453 1.00 0.00 C ATOM 844 C HIS B 574 20.055 -2.905 9.220 1.00 0.00 C ATOM 845 O HIS B 574 20.331 -3.404 8.130 1.00 0.00 O ATOM 846 CB HIS B 574 17.798 -2.400 8.268 1.00 0.00 C ATOM 847 CG HIS B 574 16.526 -1.613 8.352 1.00 0.00 C ATOM 848 ND1 HIS B 574 16.191 -0.411 7.827 1.00 0.00 N flip ATOM 849 CD2 HIS B 574 15.416 -2.050 9.045 1.00 0.00 C flip ATOM 850 CE1 HIS B 574 14.898 -0.147 8.207 1.00 0.00 C flip ATOM 851 NE2 HIS B 574 14.453 -1.151 8.941 1.00 0.00 N flip ATOM 0 H HIS B 574 19.471 -0.288 8.895 1.00 0.00 H new ATOM 0 HA HIS B 574 18.274 -2.570 10.356 1.00 0.00 H new ATOM 0 HB2 HIS B 574 18.318 -2.137 7.347 1.00 0.00 H new ATOM 0 HB3 HIS B 574 17.556 -3.461 8.206 1.00 0.00 H new ATOM 0 HD2 HIS B 574 15.345 -2.981 9.588 1.00 0.00 H new ATOM 0 HE1 HIS B 574 14.336 0.738 7.948 1.00 0.00 H new ATOM 0 HE2 HIS B 574 13.524 -1.221 9.357 1.00 0.00 H new ATOM 859 N PRO B 575 20.889 -2.971 10.269 1.00 0.00 N ATOM 860 CA PRO B 575 22.191 -3.640 10.204 1.00 0.00 C ATOM 861 C PRO B 575 22.060 -5.155 10.088 1.00 0.00 C ATOM 862 O PRO B 575 22.970 -5.833 9.612 1.00 0.00 O ATOM 863 CB PRO B 575 22.852 -3.260 11.531 1.00 0.00 C ATOM 864 CG PRO B 575 21.716 -2.980 12.453 1.00 0.00 C ATOM 865 CD PRO B 575 20.624 -2.398 11.599 1.00 0.00 C ATOM 0 HA PRO B 575 22.761 -3.337 9.326 1.00 0.00 H new ATOM 0 HB2 PRO B 575 23.478 -4.069 11.908 1.00 0.00 H new ATOM 0 HB3 PRO B 575 23.494 -2.387 11.418 1.00 0.00 H new ATOM 0 HG2 PRO B 575 21.381 -3.892 12.947 1.00 0.00 H new ATOM 0 HG3 PRO B 575 22.012 -2.283 13.237 1.00 0.00 H new ATOM 0 HD2 PRO B 575 19.636 -2.675 11.966 1.00 0.00 H new ATOM 0 HD3 PRO B 575 20.664 -1.309 11.583 1.00 0.00 H new ATOM 873 N THR B 576 20.920 -5.680 10.526 1.00 0.00 N ATOM 874 CA THR B 576 20.669 -7.115 10.472 1.00 0.00 C ATOM 875 C THR B 576 20.911 -7.663 9.071 1.00 0.00 C ATOM 876 O THR B 576 21.502 -8.730 8.904 1.00 0.00 O ATOM 877 CB THR B 576 19.228 -7.450 10.901 1.00 0.00 C ATOM 878 OG1 THR B 576 18.964 -6.906 12.199 1.00 0.00 O ATOM 879 CG2 THR B 576 19.006 -8.955 10.922 1.00 0.00 C ATOM 0 H THR B 576 20.156 -5.133 10.922 1.00 0.00 H new ATOM 0 HA THR B 576 21.365 -7.584 11.167 1.00 0.00 H new ATOM 0 HB THR B 576 18.545 -7.008 10.176 1.00 0.00 H new ATOM 0 HG1 THR B 576 18.045 -7.122 12.464 1.00 0.00 H new ATOM 0 HG21 THR B 576 17.982 -9.167 11.228 1.00 0.00 H new ATOM 0 HG22 THR B 576 19.179 -9.362 9.926 1.00 0.00 H new ATOM 0 HG23 THR B 576 19.698 -9.415 11.627 1.00 0.00 H new ATOM 887 N LEU B 577 20.450 -6.927 8.065 1.00 0.00 N ATOM 888 CA LEU B 577 20.617 -7.340 6.676 1.00 0.00 C ATOM 889 C LEU B 577 20.958 -6.145 5.791 1.00 0.00 C ATOM 890 O LEU B 577 20.543 -6.079 4.634 1.00 0.00 O ATOM 891 CB LEU B 577 19.343 -8.018 6.168 1.00 0.00 C ATOM 892 CG LEU B 577 18.581 -8.864 7.189 1.00 0.00 C ATOM 893 CD1 LEU B 577 17.565 -8.014 7.936 1.00 0.00 C ATOM 894 CD2 LEU B 577 17.896 -10.037 6.503 1.00 0.00 C ATOM 0 H LEU B 577 19.958 -6.042 8.185 1.00 0.00 H new ATOM 0 HA LEU B 577 21.442 -8.051 6.630 1.00 0.00 H new ATOM 0 HB2 LEU B 577 18.671 -7.247 5.790 1.00 0.00 H new ATOM 0 HB3 LEU B 577 19.606 -8.654 5.323 1.00 0.00 H new ATOM 0 HG LEU B 577 19.296 -9.257 7.912 1.00 0.00 H new ATOM 0 HD11 LEU B 577 17.033 -8.634 8.658 1.00 0.00 H new ATOM 0 HD12 LEU B 577 18.079 -7.208 8.459 1.00 0.00 H new ATOM 0 HD13 LEU B 577 16.853 -7.591 7.227 1.00 0.00 H new ATOM 0 HD21 LEU B 577 17.358 -10.629 7.244 1.00 0.00 H new ATOM 0 HD22 LEU B 577 17.194 -9.663 5.758 1.00 0.00 H new ATOM 0 HD23 LEU B 577 18.645 -10.661 6.015 1.00 0.00 H new ATOM 906 N ALA B 578 21.718 -5.205 6.342 1.00 0.00 N ATOM 907 CA ALA B 578 22.119 -4.015 5.601 1.00 0.00 C ATOM 908 C ALA B 578 22.666 -4.383 4.226 1.00 0.00 C ATOM 909 O ALA B 578 22.239 -3.835 3.210 1.00 0.00 O ATOM 910 CB ALA B 578 23.153 -3.226 6.390 1.00 0.00 C ATOM 0 H ALA B 578 22.069 -5.244 7.299 1.00 0.00 H new ATOM 0 HA ALA B 578 21.236 -3.392 5.456 1.00 0.00 H new ATOM 0 HB1 ALA B 578 23.443 -2.340 5.825 1.00 0.00 H new ATOM 0 HB2 ALA B 578 22.727 -2.923 7.346 1.00 0.00 H new ATOM 0 HB3 ALA B 578 24.030 -3.849 6.565 1.00 0.00 H new ATOM 916 N GLY B 579 23.615 -5.314 4.202 1.00 0.00 N ATOM 917 CA GLY B 579 24.206 -5.738 2.946 1.00 0.00 C ATOM 918 C GLY B 579 23.178 -6.287 1.977 1.00 0.00 C ATOM 919 O GLY B 579 23.164 -5.922 0.802 1.00 0.00 O ATOM 0 H GLY B 579 23.985 -5.782 5.029 1.00 0.00 H new ATOM 0 HA2 GLY B 579 24.719 -4.893 2.486 1.00 0.00 H new ATOM 0 HA3 GLY B 579 24.960 -6.501 3.142 1.00 0.00 H new ATOM 923 N LYS B 580 22.314 -7.168 2.471 1.00 0.00 N ATOM 924 CA LYS B 580 21.276 -7.770 1.641 1.00 0.00 C ATOM 925 C LYS B 580 20.450 -6.696 0.939 1.00 0.00 C ATOM 926 O LYS B 580 20.405 -6.640 -0.290 1.00 0.00 O ATOM 927 CB LYS B 580 20.364 -8.655 2.493 1.00 0.00 C ATOM 928 CG LYS B 580 19.564 -9.661 1.683 1.00 0.00 C ATOM 929 CD LYS B 580 18.369 -10.181 2.463 1.00 0.00 C ATOM 930 CE LYS B 580 18.786 -11.213 3.500 1.00 0.00 C ATOM 931 NZ LYS B 580 19.236 -12.484 2.868 1.00 0.00 N ATOM 0 H LYS B 580 22.312 -7.481 3.442 1.00 0.00 H new ATOM 0 HA LYS B 580 21.762 -8.383 0.882 1.00 0.00 H new ATOM 0 HB2 LYS B 580 20.970 -9.190 3.224 1.00 0.00 H new ATOM 0 HB3 LYS B 580 19.676 -8.021 3.052 1.00 0.00 H new ATOM 0 HG2 LYS B 580 19.222 -9.195 0.759 1.00 0.00 H new ATOM 0 HG3 LYS B 580 20.206 -10.495 1.401 1.00 0.00 H new ATOM 0 HD2 LYS B 580 17.866 -9.350 2.957 1.00 0.00 H new ATOM 0 HD3 LYS B 580 17.650 -10.625 1.775 1.00 0.00 H new ATOM 0 HE2 LYS B 580 19.591 -10.807 4.113 1.00 0.00 H new ATOM 0 HE3 LYS B 580 17.949 -11.416 4.168 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 19.219 -13.248 3.574 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 18.599 -12.725 2.082 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 20.204 -12.368 2.506 1.00 0.00 H new ATOM 945 N ILE B 581 19.800 -5.847 1.727 1.00 0.00 N ATOM 946 CA ILE B 581 18.978 -4.775 1.181 1.00 0.00 C ATOM 947 C ILE B 581 19.814 -3.816 0.340 1.00 0.00 C ATOM 948 O ILE B 581 19.332 -3.252 -0.643 1.00 0.00 O ATOM 949 CB ILE B 581 18.273 -3.981 2.296 1.00 0.00 C ATOM 950 CG1 ILE B 581 19.301 -3.434 3.290 1.00 0.00 C ATOM 951 CG2 ILE B 581 17.255 -4.858 3.008 1.00 0.00 C ATOM 952 CD1 ILE B 581 18.691 -2.967 4.593 1.00 0.00 C ATOM 0 H ILE B 581 19.827 -5.881 2.746 1.00 0.00 H new ATOM 0 HA ILE B 581 18.224 -5.246 0.550 1.00 0.00 H new ATOM 0 HB ILE B 581 17.747 -3.139 1.846 1.00 0.00 H new ATOM 0 HG12 ILE B 581 20.039 -4.208 3.500 1.00 0.00 H new ATOM 0 HG13 ILE B 581 19.834 -2.602 2.829 1.00 0.00 H new ATOM 0 HG21 ILE B 581 16.765 -4.283 3.793 1.00 0.00 H new ATOM 0 HG22 ILE B 581 16.509 -5.204 2.292 1.00 0.00 H new ATOM 0 HG23 ILE B 581 17.760 -5.717 3.449 1.00 0.00 H new ATOM 0 HD11 ILE B 581 19.477 -2.592 5.249 1.00 0.00 H new ATOM 0 HD12 ILE B 581 17.974 -2.171 4.394 1.00 0.00 H new ATOM 0 HD13 ILE B 581 18.182 -3.801 5.076 1.00 0.00 H new ATOM 964 N THR B 582 21.072 -3.636 0.731 1.00 0.00 N ATOM 965 CA THR B 582 21.976 -2.747 0.014 1.00 0.00 C ATOM 966 C THR B 582 22.259 -3.266 -1.391 1.00 0.00 C ATOM 967 O THR B 582 22.477 -2.488 -2.319 1.00 0.00 O ATOM 968 CB THR B 582 23.310 -2.577 0.765 1.00 0.00 C ATOM 969 OG1 THR B 582 23.114 -1.782 1.939 1.00 0.00 O ATOM 970 CG2 THR B 582 24.354 -1.923 -0.128 1.00 0.00 C ATOM 0 H THR B 582 21.488 -4.095 1.541 1.00 0.00 H new ATOM 0 HA THR B 582 21.479 -1.779 -0.053 1.00 0.00 H new ATOM 0 HB THR B 582 23.668 -3.566 1.052 1.00 0.00 H new ATOM 0 HG1 THR B 582 22.754 -2.343 2.657 1.00 0.00 H new ATOM 0 HG21 THR B 582 25.288 -1.813 0.424 1.00 0.00 H new ATOM 0 HG22 THR B 582 24.523 -2.546 -1.007 1.00 0.00 H new ATOM 0 HG23 THR B 582 24.001 -0.941 -0.442 1.00 0.00 H new ATOM 978 N GLY B 583 22.254 -4.588 -1.541 1.00 0.00 N ATOM 979 CA GLY B 583 22.511 -5.188 -2.836 1.00 0.00 C ATOM 980 C GLY B 583 21.422 -4.880 -3.844 1.00 0.00 C ATOM 981 O GLY B 583 21.698 -4.368 -4.929 1.00 0.00 O ATOM 0 H GLY B 583 22.076 -5.253 -0.788 1.00 0.00 H new ATOM 0 HA2 GLY B 583 23.467 -4.828 -3.217 1.00 0.00 H new ATOM 0 HA3 GLY B 583 22.601 -6.268 -2.721 1.00 0.00 H new ATOM 985 N MET B 584 20.181 -5.195 -3.487 1.00 0.00 N ATOM 986 CA MET B 584 19.046 -4.948 -4.370 1.00 0.00 C ATOM 987 C MET B 584 18.835 -3.452 -4.578 1.00 0.00 C ATOM 988 O MET B 584 18.533 -3.006 -5.686 1.00 0.00 O ATOM 989 CB MET B 584 17.778 -5.579 -3.792 1.00 0.00 C ATOM 990 CG MET B 584 17.472 -5.138 -2.370 1.00 0.00 C ATOM 991 SD MET B 584 16.668 -6.427 -1.400 1.00 0.00 S ATOM 992 CE MET B 584 14.957 -6.189 -1.872 1.00 0.00 C ATOM 0 H MET B 584 19.936 -5.621 -2.593 1.00 0.00 H new ATOM 0 HA MET B 584 19.262 -5.404 -5.336 1.00 0.00 H new ATOM 0 HB2 MET B 584 16.932 -5.326 -4.432 1.00 0.00 H new ATOM 0 HB3 MET B 584 17.880 -6.664 -3.813 1.00 0.00 H new ATOM 0 HG2 MET B 584 18.399 -4.843 -1.878 1.00 0.00 H new ATOM 0 HG3 MET B 584 16.831 -4.256 -2.397 1.00 0.00 H new ATOM 0 HE1 MET B 584 14.324 -6.867 -1.300 1.00 0.00 H new ATOM 0 HE2 MET B 584 14.663 -5.159 -1.668 1.00 0.00 H new ATOM 0 HE3 MET B 584 14.841 -6.395 -2.936 1.00 0.00 H new ATOM 1002 N LEU B 585 18.994 -2.682 -3.508 1.00 0.00 N ATOM 1003 CA LEU B 585 18.819 -1.235 -3.574 1.00 0.00 C ATOM 1004 C LEU B 585 19.780 -0.616 -4.584 1.00 0.00 C ATOM 1005 O LEU B 585 19.359 0.051 -5.530 1.00 0.00 O ATOM 1006 CB LEU B 585 19.040 -0.611 -2.195 1.00 0.00 C ATOM 1007 CG LEU B 585 17.779 -0.317 -1.381 1.00 0.00 C ATOM 1008 CD1 LEU B 585 16.886 0.668 -2.119 1.00 0.00 C ATOM 1009 CD2 LEU B 585 17.025 -1.605 -1.083 1.00 0.00 C ATOM 0 H LEU B 585 19.244 -3.035 -2.584 1.00 0.00 H new ATOM 0 HA LEU B 585 17.799 -1.032 -3.899 1.00 0.00 H new ATOM 0 HB2 LEU B 585 19.676 -1.279 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU B 585 19.590 0.321 -2.324 1.00 0.00 H new ATOM 0 HG LEU B 585 18.077 0.133 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU B 585 15.994 0.866 -1.525 1.00 0.00 H new ATOM 0 HD12 LEU B 585 17.428 1.600 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU B 585 16.596 0.246 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU B 585 16.131 -1.377 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU B 585 16.738 -2.084 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU B 585 17.665 -2.278 -0.513 1.00 0.00 H new ATOM 1021 N LEU B 586 21.073 -0.844 -4.379 1.00 0.00 N ATOM 1022 CA LEU B 586 22.095 -0.311 -5.273 1.00 0.00 C ATOM 1023 C LEU B 586 21.908 -0.842 -6.691 1.00 0.00 C ATOM 1024 O LEU B 586 22.329 -0.211 -7.660 1.00 0.00 O ATOM 1025 CB LEU B 586 23.490 -0.674 -4.760 1.00 0.00 C ATOM 1026 CG LEU B 586 24.049 -2.018 -5.230 1.00 0.00 C ATOM 1027 CD1 LEU B 586 24.769 -1.861 -6.560 1.00 0.00 C ATOM 1028 CD2 LEU B 586 24.983 -2.603 -4.181 1.00 0.00 C ATOM 0 H LEU B 586 21.438 -1.394 -3.602 1.00 0.00 H new ATOM 0 HA LEU B 586 21.994 0.774 -5.294 1.00 0.00 H new ATOM 0 HB2 LEU B 586 24.183 0.111 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU B 586 23.466 -0.674 -3.670 1.00 0.00 H new ATOM 0 HG LEU B 586 23.216 -2.707 -5.371 1.00 0.00 H new ATOM 0 HD11 LEU B 586 25.160 -2.827 -6.878 1.00 0.00 H new ATOM 0 HD12 LEU B 586 24.071 -1.487 -7.309 1.00 0.00 H new ATOM 0 HD13 LEU B 586 25.593 -1.156 -6.447 1.00 0.00 H new ATOM 0 HD21 LEU B 586 25.371 -3.559 -4.532 1.00 0.00 H new ATOM 0 HD22 LEU B 586 25.812 -1.916 -4.008 1.00 0.00 H new ATOM 0 HD23 LEU B 586 24.436 -2.753 -3.250 1.00 0.00 H new ATOM 1040 N GLU B 587 21.273 -2.004 -6.804 1.00 0.00 N ATOM 1041 CA GLU B 587 21.030 -2.618 -8.104 1.00 0.00 C ATOM 1042 C GLU B 587 19.884 -1.918 -8.830 1.00 0.00 C ATOM 1043 O GLU B 587 19.747 -2.032 -10.048 1.00 0.00 O ATOM 1044 CB GLU B 587 20.711 -4.105 -7.939 1.00 0.00 C ATOM 1045 CG GLU B 587 20.406 -4.812 -9.249 1.00 0.00 C ATOM 1046 CD GLU B 587 20.163 -6.297 -9.068 1.00 0.00 C ATOM 1047 OE1 GLU B 587 19.423 -6.669 -8.133 1.00 0.00 O ATOM 1048 OE2 GLU B 587 20.713 -7.089 -9.862 1.00 0.00 O ATOM 0 H GLU B 587 20.918 -2.539 -6.012 1.00 0.00 H new ATOM 0 HA GLU B 587 21.935 -2.512 -8.702 1.00 0.00 H new ATOM 0 HB2 GLU B 587 21.556 -4.598 -7.458 1.00 0.00 H new ATOM 0 HB3 GLU B 587 19.857 -4.213 -7.271 1.00 0.00 H new ATOM 0 HG2 GLU B 587 19.528 -4.357 -9.707 1.00 0.00 H new ATOM 0 HG3 GLU B 587 21.237 -4.665 -9.939 1.00 0.00 H new ATOM 1055 N ILE B 588 19.065 -1.196 -8.073 1.00 0.00 N ATOM 1056 CA ILE B 588 17.932 -0.478 -8.644 1.00 0.00 C ATOM 1057 C ILE B 588 18.359 0.354 -9.848 1.00 0.00 C ATOM 1058 O ILE B 588 17.901 0.124 -10.968 1.00 0.00 O ATOM 1059 CB ILE B 588 17.270 0.445 -7.605 1.00 0.00 C ATOM 1060 CG1 ILE B 588 16.664 -0.381 -6.468 1.00 0.00 C ATOM 1061 CG2 ILE B 588 16.205 1.308 -8.265 1.00 0.00 C ATOM 1062 CD1 ILE B 588 16.147 0.458 -5.320 1.00 0.00 C ATOM 0 H ILE B 588 19.165 -1.093 -7.063 1.00 0.00 H new ATOM 0 HA ILE B 588 17.210 -1.230 -8.963 1.00 0.00 H new ATOM 0 HB ILE B 588 18.033 1.101 -7.186 1.00 0.00 H new ATOM 0 HG12 ILE B 588 15.847 -0.984 -6.864 1.00 0.00 H new ATOM 0 HG13 ILE B 588 17.417 -1.073 -6.091 1.00 0.00 H new ATOM 0 HG21 ILE B 588 15.746 1.955 -7.517 1.00 0.00 H new ATOM 0 HG22 ILE B 588 16.663 1.920 -9.042 1.00 0.00 H new ATOM 0 HG23 ILE B 588 15.442 0.668 -8.709 1.00 0.00 H new ATOM 0 HD11 ILE B 588 15.732 -0.194 -4.551 1.00 0.00 H new ATOM 0 HD12 ILE B 588 16.965 1.041 -4.898 1.00 0.00 H new ATOM 0 HD13 ILE B 588 15.371 1.132 -5.682 1.00 0.00 H new ATOM 1074 N ASP B 589 19.240 1.319 -9.611 1.00 0.00 N ATOM 1075 CA ASP B 589 19.732 2.184 -10.677 1.00 0.00 C ATOM 1076 C ASP B 589 20.669 3.252 -10.121 1.00 0.00 C ATOM 1077 O ASP B 589 20.314 3.983 -9.197 1.00 0.00 O ATOM 1078 CB ASP B 589 18.562 2.845 -11.408 1.00 0.00 C ATOM 1079 CG ASP B 589 18.628 2.641 -12.908 1.00 0.00 C ATOM 1080 OD1 ASP B 589 19.715 2.846 -13.488 1.00 0.00 O ATOM 1081 OD2 ASP B 589 17.592 2.277 -13.503 1.00 0.00 O ATOM 0 H ASP B 589 19.628 1.522 -8.690 1.00 0.00 H new ATOM 0 HA ASP B 589 20.290 1.568 -11.383 1.00 0.00 H new ATOM 0 HB2 ASP B 589 17.624 2.438 -11.030 1.00 0.00 H new ATOM 0 HB3 ASP B 589 18.557 3.913 -11.189 1.00 0.00 H new ATOM 1086 N ASN B 590 21.867 3.335 -10.691 1.00 0.00 N ATOM 1087 CA ASN B 590 22.856 4.313 -10.251 1.00 0.00 C ATOM 1088 C ASN B 590 22.360 5.735 -10.492 1.00 0.00 C ATOM 1089 O ASN B 590 22.750 6.667 -9.790 1.00 0.00 O ATOM 1090 CB ASN B 590 24.182 4.092 -10.982 1.00 0.00 C ATOM 1091 CG ASN B 590 24.747 2.705 -10.749 1.00 0.00 C ATOM 1092 OD1 ASN B 590 24.087 1.700 -11.015 1.00 0.00 O ATOM 1093 ND2 ASN B 590 25.976 2.643 -10.249 1.00 0.00 N ATOM 0 H ASN B 590 22.176 2.738 -11.458 1.00 0.00 H new ATOM 0 HA ASN B 590 23.012 4.179 -9.181 1.00 0.00 H new ATOM 0 HB2 ASN B 590 24.034 4.246 -12.051 1.00 0.00 H new ATOM 0 HB3 ASN B 590 24.905 4.836 -10.649 1.00 0.00 H new ATOM 0 HD21 ASN B 590 26.409 1.737 -10.071 1.00 0.00 H new ATOM 0 HD22 ASN B 590 26.487 3.502 -10.043 1.00 0.00 H new ATOM 1100 N SER B 591 21.496 5.893 -11.490 1.00 0.00 N ATOM 1101 CA SER B 591 20.948 7.202 -11.827 1.00 0.00 C ATOM 1102 C SER B 591 20.133 7.765 -10.666 1.00 0.00 C ATOM 1103 O SER B 591 20.320 8.912 -10.262 1.00 0.00 O ATOM 1104 CB SER B 591 20.074 7.106 -13.079 1.00 0.00 C ATOM 1105 OG SER B 591 19.698 8.393 -13.538 1.00 0.00 O ATOM 0 H SER B 591 21.160 5.131 -12.079 1.00 0.00 H new ATOM 0 HA SER B 591 21.781 7.877 -12.025 1.00 0.00 H new ATOM 0 HB2 SER B 591 20.616 6.580 -13.865 1.00 0.00 H new ATOM 0 HB3 SER B 591 19.182 6.520 -12.859 1.00 0.00 H new ATOM 0 HG SER B 591 19.141 8.305 -14.340 1.00 0.00 H new ATOM 1111 N GLU B 592 19.229 6.948 -10.135 1.00 0.00 N ATOM 1112 CA GLU B 592 18.385 7.364 -9.021 1.00 0.00 C ATOM 1113 C GLU B 592 19.173 7.371 -7.714 1.00 0.00 C ATOM 1114 O GLU B 592 19.112 8.331 -6.944 1.00 0.00 O ATOM 1115 CB GLU B 592 17.175 6.436 -8.894 1.00 0.00 C ATOM 1116 CG GLU B 592 16.306 6.396 -10.140 1.00 0.00 C ATOM 1117 CD GLU B 592 15.402 7.608 -10.260 1.00 0.00 C ATOM 1118 OE1 GLU B 592 14.441 7.712 -9.470 1.00 0.00 O ATOM 1119 OE2 GLU B 592 15.657 8.452 -11.144 1.00 0.00 O ATOM 0 H GLU B 592 19.062 5.995 -10.458 1.00 0.00 H new ATOM 0 HA GLU B 592 18.037 8.377 -9.221 1.00 0.00 H new ATOM 0 HB2 GLU B 592 17.523 5.427 -8.671 1.00 0.00 H new ATOM 0 HB3 GLU B 592 16.568 6.758 -8.048 1.00 0.00 H new ATOM 0 HG2 GLU B 592 16.944 6.335 -11.022 1.00 0.00 H new ATOM 0 HG3 GLU B 592 15.696 5.493 -10.124 1.00 0.00 H new ATOM 1126 N LEU B 593 19.913 6.295 -7.470 1.00 0.00 N ATOM 1127 CA LEU B 593 20.713 6.176 -6.256 1.00 0.00 C ATOM 1128 C LEU B 593 21.596 7.405 -6.063 1.00 0.00 C ATOM 1129 O LEU B 593 21.614 8.007 -4.989 1.00 0.00 O ATOM 1130 CB LEU B 593 21.579 4.916 -6.315 1.00 0.00 C ATOM 1131 CG LEU B 593 20.826 3.587 -6.379 1.00 0.00 C ATOM 1132 CD1 LEU B 593 21.658 2.536 -7.097 1.00 0.00 C ATOM 1133 CD2 LEU B 593 20.459 3.114 -4.980 1.00 0.00 C ATOM 0 H LEU B 593 19.976 5.493 -8.097 1.00 0.00 H new ATOM 0 HA LEU B 593 20.033 6.103 -5.407 1.00 0.00 H new ATOM 0 HB2 LEU B 593 22.228 4.986 -7.188 1.00 0.00 H new ATOM 0 HB3 LEU B 593 22.226 4.902 -5.438 1.00 0.00 H new ATOM 0 HG LEU B 593 19.906 3.740 -6.943 1.00 0.00 H new ATOM 0 HD11 LEU B 593 21.106 1.597 -7.133 1.00 0.00 H new ATOM 0 HD12 LEU B 593 21.870 2.871 -8.112 1.00 0.00 H new ATOM 0 HD13 LEU B 593 22.595 2.386 -6.561 1.00 0.00 H new ATOM 0 HD21 LEU B 593 19.924 2.167 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU B 593 21.367 2.978 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU B 593 19.823 3.858 -4.500 1.00 0.00 H new ATOM 1145 N LEU B 594 22.325 7.773 -7.111 1.00 0.00 N ATOM 1146 CA LEU B 594 23.209 8.932 -7.058 1.00 0.00 C ATOM 1147 C LEU B 594 22.466 10.161 -6.543 1.00 0.00 C ATOM 1148 O LEU B 594 23.062 11.050 -5.934 1.00 0.00 O ATOM 1149 CB LEU B 594 23.792 9.218 -8.443 1.00 0.00 C ATOM 1150 CG LEU B 594 24.991 10.166 -8.485 1.00 0.00 C ATOM 1151 CD1 LEU B 594 25.793 9.956 -9.760 1.00 0.00 C ATOM 1152 CD2 LEU B 594 24.532 11.612 -8.372 1.00 0.00 C ATOM 0 H LEU B 594 22.321 7.286 -8.007 1.00 0.00 H new ATOM 0 HA LEU B 594 24.022 8.706 -6.368 1.00 0.00 H new ATOM 0 HB2 LEU B 594 24.088 8.270 -8.893 1.00 0.00 H new ATOM 0 HB3 LEU B 594 23.003 9.635 -9.068 1.00 0.00 H new ATOM 0 HG LEU B 594 25.636 9.944 -7.635 1.00 0.00 H new ATOM 0 HD11 LEU B 594 26.642 10.639 -9.772 1.00 0.00 H new ATOM 0 HD12 LEU B 594 26.154 8.928 -9.798 1.00 0.00 H new ATOM 0 HD13 LEU B 594 25.159 10.150 -10.625 1.00 0.00 H new ATOM 0 HD21 LEU B 594 25.399 12.272 -8.404 1.00 0.00 H new ATOM 0 HD22 LEU B 594 23.865 11.848 -9.202 1.00 0.00 H new ATOM 0 HD23 LEU B 594 24.003 11.753 -7.430 1.00 0.00 H new ATOM 1164 N HIS B 595 21.161 10.203 -6.791 1.00 0.00 N ATOM 1165 CA HIS B 595 20.335 11.322 -6.350 1.00 0.00 C ATOM 1166 C HIS B 595 19.834 11.099 -4.926 1.00 0.00 C ATOM 1167 O HIS B 595 19.646 12.050 -4.168 1.00 0.00 O ATOM 1168 CB HIS B 595 19.149 11.511 -7.296 1.00 0.00 C ATOM 1169 CG HIS B 595 18.322 12.721 -6.985 1.00 0.00 C ATOM 1170 ND1 HIS B 595 18.523 13.945 -7.587 1.00 0.00 N ATOM 1171 CD2 HIS B 595 17.285 12.889 -6.131 1.00 0.00 C ATOM 1172 CE1 HIS B 595 17.648 14.815 -7.115 1.00 0.00 C ATOM 1173 NE2 HIS B 595 16.884 14.199 -6.230 1.00 0.00 N ATOM 0 H HIS B 595 20.653 9.476 -7.294 1.00 0.00 H new ATOM 0 HA HIS B 595 20.949 12.223 -6.364 1.00 0.00 H new ATOM 0 HB2 HIS B 595 19.519 11.587 -8.319 1.00 0.00 H new ATOM 0 HB3 HIS B 595 18.514 10.626 -7.251 1.00 0.00 H new ATOM 0 HD2 HIS B 595 16.853 12.134 -5.491 1.00 0.00 H new ATOM 0 HE1 HIS B 595 17.570 15.853 -7.403 1.00 0.00 H new ATOM 0 HE2 HIS B 595 16.121 14.627 -5.706 1.00 0.00 H new ATOM 1181 N MET B 596 19.619 9.837 -4.570 1.00 0.00 N ATOM 1182 CA MET B 596 19.141 9.490 -3.237 1.00 0.00 C ATOM 1183 C MET B 596 20.217 9.751 -2.188 1.00 0.00 C ATOM 1184 O MET B 596 19.915 9.966 -1.013 1.00 0.00 O ATOM 1185 CB MET B 596 18.713 8.022 -3.191 1.00 0.00 C ATOM 1186 CG MET B 596 19.746 7.108 -2.552 1.00 0.00 C ATOM 1187 SD MET B 596 19.320 5.363 -2.709 1.00 0.00 S ATOM 1188 CE MET B 596 17.593 5.392 -2.238 1.00 0.00 C ATOM 0 H MET B 596 19.768 9.038 -5.186 1.00 0.00 H new ATOM 0 HA MET B 596 18.280 10.119 -3.012 1.00 0.00 H new ATOM 0 HB2 MET B 596 17.777 7.942 -2.638 1.00 0.00 H new ATOM 0 HB3 MET B 596 18.514 7.678 -4.206 1.00 0.00 H new ATOM 0 HG2 MET B 596 20.717 7.284 -3.015 1.00 0.00 H new ATOM 0 HG3 MET B 596 19.845 7.360 -1.496 1.00 0.00 H new ATOM 0 HE1 MET B 596 17.326 4.442 -1.776 1.00 0.00 H new ATOM 0 HE2 MET B 596 17.423 6.201 -1.528 1.00 0.00 H new ATOM 0 HE3 MET B 596 16.977 5.551 -3.123 1.00 0.00 H new ATOM 1198 N LEU B 597 21.474 9.731 -2.618 1.00 0.00 N ATOM 1199 CA LEU B 597 22.596 9.965 -1.716 1.00 0.00 C ATOM 1200 C LEU B 597 22.359 11.208 -0.864 1.00 0.00 C ATOM 1201 O LEU B 597 22.493 11.168 0.359 1.00 0.00 O ATOM 1202 CB LEU B 597 23.893 10.118 -2.512 1.00 0.00 C ATOM 1203 CG LEU B 597 24.144 9.068 -3.594 1.00 0.00 C ATOM 1204 CD1 LEU B 597 25.552 9.204 -4.154 1.00 0.00 C ATOM 1205 CD2 LEU B 597 23.921 7.668 -3.041 1.00 0.00 C ATOM 0 H LEU B 597 21.742 9.555 -3.586 1.00 0.00 H new ATOM 0 HA LEU B 597 22.683 9.104 -1.054 1.00 0.00 H new ATOM 0 HB2 LEU B 597 23.894 11.102 -2.981 1.00 0.00 H new ATOM 0 HB3 LEU B 597 24.729 10.098 -1.813 1.00 0.00 H new ATOM 0 HG LEU B 597 23.435 9.234 -4.405 1.00 0.00 H new ATOM 0 HD11 LEU B 597 25.712 8.448 -4.923 1.00 0.00 H new ATOM 0 HD12 LEU B 597 25.677 10.196 -4.589 1.00 0.00 H new ATOM 0 HD13 LEU B 597 26.277 9.065 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU B 597 24.104 6.934 -3.825 1.00 0.00 H new ATOM 0 HD22 LEU B 597 24.605 7.491 -2.211 1.00 0.00 H new ATOM 0 HD23 LEU B 597 22.893 7.575 -2.690 1.00 0.00 H new ATOM 1217 N GLU B 598 22.004 12.309 -1.519 1.00 0.00 N ATOM 1218 CA GLU B 598 21.747 13.563 -0.820 1.00 0.00 C ATOM 1219 C GLU B 598 20.248 13.798 -0.656 1.00 0.00 C ATOM 1220 O GLU B 598 19.796 14.937 -0.549 1.00 0.00 O ATOM 1221 CB GLU B 598 22.378 14.733 -1.578 1.00 0.00 C ATOM 1222 CG GLU B 598 21.653 15.085 -2.866 1.00 0.00 C ATOM 1223 CD GLU B 598 22.468 15.996 -3.764 1.00 0.00 C ATOM 1224 OE1 GLU B 598 23.273 16.788 -3.231 1.00 0.00 O ATOM 1225 OE2 GLU B 598 22.302 15.916 -4.999 1.00 0.00 O ATOM 0 H GLU B 598 21.888 12.358 -2.531 1.00 0.00 H new ATOM 0 HA GLU B 598 22.197 13.496 0.171 1.00 0.00 H new ATOM 0 HB2 GLU B 598 22.395 15.609 -0.929 1.00 0.00 H new ATOM 0 HB3 GLU B 598 23.415 14.488 -1.810 1.00 0.00 H new ATOM 0 HG2 GLU B 598 21.413 14.169 -3.406 1.00 0.00 H new ATOM 0 HG3 GLU B 598 20.707 15.570 -2.625 1.00 0.00 H new ATOM 1232 N SER B 599 19.484 12.710 -0.639 1.00 0.00 N ATOM 1233 CA SER B 599 18.035 12.797 -0.493 1.00 0.00 C ATOM 1234 C SER B 599 17.549 11.898 0.640 1.00 0.00 C ATOM 1235 O SER B 599 17.123 10.763 0.427 1.00 0.00 O ATOM 1236 CB SER B 599 17.346 12.405 -1.802 1.00 0.00 C ATOM 1237 OG SER B 599 16.706 13.522 -2.395 1.00 0.00 O ATOM 0 H SER B 599 19.843 11.759 -0.724 1.00 0.00 H new ATOM 0 HA SER B 599 17.779 13.828 -0.250 1.00 0.00 H new ATOM 0 HB2 SER B 599 18.080 11.993 -2.494 1.00 0.00 H new ATOM 0 HB3 SER B 599 16.613 11.621 -1.611 1.00 0.00 H new ATOM 0 HG SER B 599 16.275 13.246 -3.231 1.00 0.00 H new ATOM 1243 N PRO B 600 17.614 12.418 1.875 1.00 0.00 N ATOM 1244 CA PRO B 600 17.185 11.681 3.067 1.00 0.00 C ATOM 1245 C PRO B 600 15.672 11.494 3.119 1.00 0.00 C ATOM 1246 O PRO B 600 15.158 10.764 3.966 1.00 0.00 O ATOM 1247 CB PRO B 600 17.653 12.571 4.222 1.00 0.00 C ATOM 1248 CG PRO B 600 17.716 13.942 3.642 1.00 0.00 C ATOM 1249 CD PRO B 600 18.111 13.765 2.202 1.00 0.00 C ATOM 0 HA PRO B 600 17.598 10.673 3.093 1.00 0.00 H new ATOM 0 HB2 PRO B 600 16.959 12.528 5.061 1.00 0.00 H new ATOM 0 HB3 PRO B 600 18.626 12.254 4.596 1.00 0.00 H new ATOM 0 HG2 PRO B 600 16.752 14.445 3.723 1.00 0.00 H new ATOM 0 HG3 PRO B 600 18.442 14.557 4.173 1.00 0.00 H new ATOM 0 HD2 PRO B 600 17.659 14.526 1.565 1.00 0.00 H new ATOM 0 HD3 PRO B 600 19.190 13.838 2.069 1.00 0.00 H new ATOM 1257 N GLU B 601 14.966 12.157 2.209 1.00 0.00 N ATOM 1258 CA GLU B 601 13.512 12.062 2.152 1.00 0.00 C ATOM 1259 C GLU B 601 13.077 10.863 1.315 1.00 0.00 C ATOM 1260 O GLU B 601 11.968 10.353 1.471 1.00 0.00 O ATOM 1261 CB GLU B 601 12.918 13.347 1.572 1.00 0.00 C ATOM 1262 CG GLU B 601 13.319 13.606 0.129 1.00 0.00 C ATOM 1263 CD GLU B 601 12.437 12.871 -0.862 1.00 0.00 C ATOM 1264 OE1 GLU B 601 11.300 12.510 -0.490 1.00 0.00 O ATOM 1265 OE2 GLU B 601 12.883 12.656 -2.008 1.00 0.00 O ATOM 0 H GLU B 601 15.377 12.766 1.501 1.00 0.00 H new ATOM 0 HA GLU B 601 13.142 11.926 3.168 1.00 0.00 H new ATOM 0 HB2 GLU B 601 11.831 13.295 1.634 1.00 0.00 H new ATOM 0 HB3 GLU B 601 13.233 14.192 2.185 1.00 0.00 H new ATOM 0 HG2 GLU B 601 13.271 14.676 -0.071 1.00 0.00 H new ATOM 0 HG3 GLU B 601 14.355 13.301 -0.017 1.00 0.00 H new ATOM 1272 N SER B 602 13.959 10.419 0.425 1.00 0.00 N ATOM 1273 CA SER B 602 13.665 9.284 -0.441 1.00 0.00 C ATOM 1274 C SER B 602 14.377 8.027 0.050 1.00 0.00 C ATOM 1275 O SER B 602 13.863 6.916 -0.083 1.00 0.00 O ATOM 1276 CB SER B 602 14.084 9.591 -1.880 1.00 0.00 C ATOM 1277 OG SER B 602 14.369 8.400 -2.594 1.00 0.00 O ATOM 0 H SER B 602 14.883 10.828 0.285 1.00 0.00 H new ATOM 0 HA SER B 602 12.590 9.107 -0.413 1.00 0.00 H new ATOM 0 HB2 SER B 602 13.289 10.139 -2.384 1.00 0.00 H new ATOM 0 HB3 SER B 602 14.963 10.236 -1.876 1.00 0.00 H new ATOM 0 HG SER B 602 14.633 8.623 -3.511 1.00 0.00 H new ATOM 1283 N LEU B 603 15.563 8.211 0.620 1.00 0.00 N ATOM 1284 CA LEU B 603 16.347 7.093 1.132 1.00 0.00 C ATOM 1285 C LEU B 603 15.506 6.214 2.053 1.00 0.00 C ATOM 1286 O LEU B 603 15.280 5.038 1.768 1.00 0.00 O ATOM 1287 CB LEU B 603 17.576 7.609 1.884 1.00 0.00 C ATOM 1288 CG LEU B 603 18.523 6.542 2.434 1.00 0.00 C ATOM 1289 CD1 LEU B 603 19.068 5.679 1.306 1.00 0.00 C ATOM 1290 CD2 LEU B 603 19.660 7.188 3.211 1.00 0.00 C ATOM 0 H LEU B 603 16.002 9.124 0.739 1.00 0.00 H new ATOM 0 HA LEU B 603 16.673 6.491 0.284 1.00 0.00 H new ATOM 0 HB2 LEU B 603 18.141 8.257 1.214 1.00 0.00 H new ATOM 0 HB3 LEU B 603 17.236 8.227 2.715 1.00 0.00 H new ATOM 0 HG LEU B 603 17.962 5.902 3.115 1.00 0.00 H new ATOM 0 HD11 LEU B 603 19.740 4.925 1.717 1.00 0.00 H new ATOM 0 HD12 LEU B 603 18.242 5.187 0.792 1.00 0.00 H new ATOM 0 HD13 LEU B 603 19.613 6.305 0.600 1.00 0.00 H new ATOM 0 HD21 LEU B 603 20.324 6.414 3.595 1.00 0.00 H new ATOM 0 HD22 LEU B 603 20.220 7.852 2.552 1.00 0.00 H new ATOM 0 HD23 LEU B 603 19.252 7.762 4.043 1.00 0.00 H new ATOM 1302 N ARG B 604 15.043 6.794 3.155 1.00 0.00 N ATOM 1303 CA ARG B 604 14.225 6.064 4.116 1.00 0.00 C ATOM 1304 C ARG B 604 13.040 5.396 3.426 1.00 0.00 C ATOM 1305 O ARG B 604 12.590 4.327 3.838 1.00 0.00 O ATOM 1306 CB ARG B 604 13.726 7.006 5.213 1.00 0.00 C ATOM 1307 CG ARG B 604 12.573 7.895 4.774 1.00 0.00 C ATOM 1308 CD ARG B 604 11.228 7.255 5.084 1.00 0.00 C ATOM 1309 NE ARG B 604 10.215 7.604 4.092 1.00 0.00 N ATOM 1310 CZ ARG B 604 8.912 7.423 4.277 1.00 0.00 C ATOM 1311 NH1 ARG B 604 8.467 6.900 5.411 1.00 0.00 N ATOM 1312 NH2 ARG B 604 8.052 7.766 3.327 1.00 0.00 N ATOM 0 H ARG B 604 15.220 7.767 3.405 1.00 0.00 H new ATOM 0 HA ARG B 604 14.844 5.289 4.567 1.00 0.00 H new ATOM 0 HB2 ARG B 604 13.411 6.414 6.073 1.00 0.00 H new ATOM 0 HB3 ARG B 604 14.553 7.634 5.544 1.00 0.00 H new ATOM 0 HG2 ARG B 604 12.643 8.859 5.277 1.00 0.00 H new ATOM 0 HG3 ARG B 604 12.648 8.088 3.704 1.00 0.00 H new ATOM 0 HD2 ARG B 604 11.342 6.172 5.120 1.00 0.00 H new ATOM 0 HD3 ARG B 604 10.894 7.574 6.071 1.00 0.00 H new ATOM 0 HE ARG B 604 10.525 8.009 3.209 1.00 0.00 H new ATOM 0 HH11 ARG B 604 9.126 6.636 6.144 1.00 0.00 H new ATOM 0 HH12 ARG B 604 7.466 6.762 5.551 1.00 0.00 H new ATOM 0 HH21 ARG B 604 8.391 8.169 2.454 1.00 0.00 H new ATOM 0 HH22 ARG B 604 7.052 7.627 3.470 1.00 0.00 H new ATOM 1326 N SER B 605 12.538 6.035 2.373 1.00 0.00 N ATOM 1327 CA SER B 605 11.402 5.505 1.628 1.00 0.00 C ATOM 1328 C SER B 605 11.745 4.157 1.001 1.00 0.00 C ATOM 1329 O SER B 605 11.044 3.166 1.209 1.00 0.00 O ATOM 1330 CB SER B 605 10.974 6.493 0.540 1.00 0.00 C ATOM 1331 OG SER B 605 10.933 5.866 -0.730 1.00 0.00 O ATOM 0 H SER B 605 12.900 6.920 2.017 1.00 0.00 H new ATOM 0 HA SER B 605 10.576 5.362 2.325 1.00 0.00 H new ATOM 0 HB2 SER B 605 9.992 6.900 0.780 1.00 0.00 H new ATOM 0 HB3 SER B 605 11.669 7.332 0.513 1.00 0.00 H new ATOM 0 HG SER B 605 10.656 6.517 -1.408 1.00 0.00 H new ATOM 1337 N LYS B 606 12.827 4.128 0.231 1.00 0.00 N ATOM 1338 CA LYS B 606 13.266 2.903 -0.426 1.00 0.00 C ATOM 1339 C LYS B 606 13.550 1.808 0.596 1.00 0.00 C ATOM 1340 O LYS B 606 13.116 0.667 0.436 1.00 0.00 O ATOM 1341 CB LYS B 606 14.519 3.170 -1.264 1.00 0.00 C ATOM 1342 CG LYS B 606 14.284 4.125 -2.422 1.00 0.00 C ATOM 1343 CD LYS B 606 13.173 3.633 -3.334 1.00 0.00 C ATOM 1344 CE LYS B 606 13.014 4.529 -4.553 1.00 0.00 C ATOM 1345 NZ LYS B 606 13.936 4.137 -5.654 1.00 0.00 N ATOM 0 H LYS B 606 13.417 4.940 0.046 1.00 0.00 H new ATOM 0 HA LYS B 606 12.463 2.565 -1.081 1.00 0.00 H new ATOM 0 HB2 LYS B 606 15.297 3.579 -0.619 1.00 0.00 H new ATOM 0 HB3 LYS B 606 14.893 2.224 -1.655 1.00 0.00 H new ATOM 0 HG2 LYS B 606 14.028 5.111 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS B 606 15.204 4.236 -2.995 1.00 0.00 H new ATOM 0 HD2 LYS B 606 13.389 2.614 -3.656 1.00 0.00 H new ATOM 0 HD3 LYS B 606 12.235 3.600 -2.781 1.00 0.00 H new ATOM 0 HE2 LYS B 606 11.984 4.481 -4.907 1.00 0.00 H new ATOM 0 HE3 LYS B 606 13.206 5.564 -4.270 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 13.797 4.772 -6.466 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 14.920 4.207 -5.324 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 13.737 3.158 -5.942 1.00 0.00 H new ATOM 1359 N VAL B 607 14.280 2.162 1.649 1.00 0.00 N ATOM 1360 CA VAL B 607 14.620 1.210 2.700 1.00 0.00 C ATOM 1361 C VAL B 607 13.369 0.543 3.262 1.00 0.00 C ATOM 1362 O VAL B 607 13.259 -0.683 3.274 1.00 0.00 O ATOM 1363 CB VAL B 607 15.386 1.892 3.849 1.00 0.00 C ATOM 1364 CG1 VAL B 607 15.705 0.889 4.947 1.00 0.00 C ATOM 1365 CG2 VAL B 607 16.656 2.547 3.328 1.00 0.00 C ATOM 0 H VAL B 607 14.648 3.102 1.797 1.00 0.00 H new ATOM 0 HA VAL B 607 15.260 0.453 2.247 1.00 0.00 H new ATOM 0 HB VAL B 607 14.752 2.670 4.274 1.00 0.00 H new ATOM 0 HG11 VAL B 607 16.246 1.389 5.750 1.00 0.00 H new ATOM 0 HG12 VAL B 607 14.778 0.472 5.339 1.00 0.00 H new ATOM 0 HG13 VAL B 607 16.320 0.087 4.539 1.00 0.00 H new ATOM 0 HG21 VAL B 607 17.184 3.024 4.153 1.00 0.00 H new ATOM 0 HG22 VAL B 607 17.297 1.790 2.876 1.00 0.00 H new ATOM 0 HG23 VAL B 607 16.398 3.297 2.581 1.00 0.00 H new ATOM 1375 N ASP B 608 12.429 1.359 3.727 1.00 0.00 N ATOM 1376 CA ASP B 608 11.184 0.848 4.290 1.00 0.00 C ATOM 1377 C ASP B 608 10.444 -0.018 3.276 1.00 0.00 C ATOM 1378 O ASP B 608 9.876 -1.052 3.626 1.00 0.00 O ATOM 1379 CB ASP B 608 10.291 2.005 4.739 1.00 0.00 C ATOM 1380 CG ASP B 608 9.164 1.549 5.645 1.00 0.00 C ATOM 1381 OD1 ASP B 608 9.444 0.817 6.618 1.00 0.00 O ATOM 1382 OD2 ASP B 608 8.002 1.923 5.381 1.00 0.00 O ATOM 0 H ASP B 608 12.505 2.376 3.725 1.00 0.00 H new ATOM 0 HA ASP B 608 11.431 0.232 5.155 1.00 0.00 H new ATOM 0 HB2 ASP B 608 10.896 2.746 5.262 1.00 0.00 H new ATOM 0 HB3 ASP B 608 9.871 2.498 3.862 1.00 0.00 H new ATOM 1387 N GLU B 609 10.456 0.411 2.018 1.00 0.00 N ATOM 1388 CA GLU B 609 9.784 -0.325 0.953 1.00 0.00 C ATOM 1389 C GLU B 609 10.304 -1.758 0.871 1.00 0.00 C ATOM 1390 O GLU B 609 9.526 -2.708 0.800 1.00 0.00 O ATOM 1391 CB GLU B 609 9.984 0.379 -0.390 1.00 0.00 C ATOM 1392 CG GLU B 609 9.065 1.572 -0.594 1.00 0.00 C ATOM 1393 CD GLU B 609 7.640 1.162 -0.914 1.00 0.00 C ATOM 1394 OE1 GLU B 609 7.453 0.088 -1.522 1.00 0.00 O ATOM 1395 OE2 GLU B 609 6.712 1.917 -0.554 1.00 0.00 O ATOM 0 H GLU B 609 10.923 1.264 1.711 1.00 0.00 H new ATOM 0 HA GLU B 609 8.719 -0.355 1.183 1.00 0.00 H new ATOM 0 HB2 GLU B 609 11.019 0.711 -0.466 1.00 0.00 H new ATOM 0 HB3 GLU B 609 9.819 -0.338 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU B 609 9.069 2.187 0.306 1.00 0.00 H new ATOM 0 HG3 GLU B 609 9.452 2.190 -1.404 1.00 0.00 H new ATOM 1402 N ALA B 610 11.625 -1.903 0.881 1.00 0.00 N ATOM 1403 CA ALA B 610 12.249 -3.218 0.809 1.00 0.00 C ATOM 1404 C ALA B 610 11.899 -4.060 2.031 1.00 0.00 C ATOM 1405 O ALA B 610 11.440 -5.195 1.905 1.00 0.00 O ATOM 1406 CB ALA B 610 13.758 -3.079 0.676 1.00 0.00 C ATOM 0 H ALA B 610 12.283 -1.126 0.938 1.00 0.00 H new ATOM 0 HA ALA B 610 11.863 -3.728 -0.073 1.00 0.00 H new ATOM 0 HB1 ALA B 610 14.211 -4.069 0.623 1.00 0.00 H new ATOM 0 HB2 ALA B 610 13.994 -2.523 -0.232 1.00 0.00 H new ATOM 0 HB3 ALA B 610 14.152 -2.545 1.541 1.00 0.00 H new ATOM 1412 N VAL B 611 12.119 -3.496 3.215 1.00 0.00 N ATOM 1413 CA VAL B 611 11.826 -4.195 4.461 1.00 0.00 C ATOM 1414 C VAL B 611 10.387 -4.696 4.485 1.00 0.00 C ATOM 1415 O VAL B 611 10.103 -5.776 5.000 1.00 0.00 O ATOM 1416 CB VAL B 611 12.063 -3.287 5.682 1.00 0.00 C ATOM 1417 CG1 VAL B 611 11.627 -3.987 6.960 1.00 0.00 C ATOM 1418 CG2 VAL B 611 13.525 -2.874 5.763 1.00 0.00 C ATOM 0 H VAL B 611 12.499 -2.557 3.337 1.00 0.00 H new ATOM 0 HA VAL B 611 12.504 -5.047 4.514 1.00 0.00 H new ATOM 0 HB VAL B 611 11.461 -2.386 5.566 1.00 0.00 H new ATOM 0 HG11 VAL B 611 11.802 -3.330 7.812 1.00 0.00 H new ATOM 0 HG12 VAL B 611 10.566 -4.228 6.899 1.00 0.00 H new ATOM 0 HG13 VAL B 611 12.201 -4.905 7.086 1.00 0.00 H new ATOM 0 HG21 VAL B 611 13.674 -2.233 6.632 1.00 0.00 H new ATOM 0 HG22 VAL B 611 14.149 -3.763 5.856 1.00 0.00 H new ATOM 0 HG23 VAL B 611 13.800 -2.330 4.859 1.00 0.00 H new ATOM 1428 N ALA B 612 9.481 -3.902 3.923 1.00 0.00 N ATOM 1429 CA ALA B 612 8.070 -4.266 3.877 1.00 0.00 C ATOM 1430 C ALA B 612 7.824 -5.386 2.872 1.00 0.00 C ATOM 1431 O ALA B 612 6.995 -6.267 3.099 1.00 0.00 O ATOM 1432 CB ALA B 612 7.222 -3.050 3.534 1.00 0.00 C ATOM 0 H ALA B 612 9.699 -3.003 3.493 1.00 0.00 H new ATOM 0 HA ALA B 612 7.782 -4.629 4.863 1.00 0.00 H new ATOM 0 HB1 ALA B 612 6.171 -3.337 3.503 1.00 0.00 H new ATOM 0 HB2 ALA B 612 7.366 -2.280 4.292 1.00 0.00 H new ATOM 0 HB3 ALA B 612 7.521 -2.661 2.561 1.00 0.00 H new ATOM 1438 N VAL B 613 8.549 -5.345 1.758 1.00 0.00 N ATOM 1439 CA VAL B 613 8.409 -6.357 0.718 1.00 0.00 C ATOM 1440 C VAL B 613 8.665 -7.754 1.272 1.00 0.00 C ATOM 1441 O VAL B 613 8.147 -8.744 0.753 1.00 0.00 O ATOM 1442 CB VAL B 613 9.377 -6.096 -0.452 1.00 0.00 C ATOM 1443 CG1 VAL B 613 10.570 -7.036 -0.378 1.00 0.00 C ATOM 1444 CG2 VAL B 613 8.654 -6.241 -1.783 1.00 0.00 C ATOM 0 H VAL B 613 9.239 -4.622 1.553 1.00 0.00 H new ATOM 0 HA VAL B 613 7.384 -6.296 0.353 1.00 0.00 H new ATOM 0 HB VAL B 613 9.746 -5.073 -0.375 1.00 0.00 H new ATOM 0 HG11 VAL B 613 11.242 -6.837 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL B 613 11.100 -6.878 0.561 1.00 0.00 H new ATOM 0 HG13 VAL B 613 10.224 -8.068 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL B 613 9.352 -6.053 -2.599 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.255 -7.251 -1.872 1.00 0.00 H new ATOM 0 HG23 VAL B 613 7.836 -5.522 -1.833 1.00 0.00 H new ATOM 1454 N LEU B 614 9.465 -7.828 2.330 1.00 0.00 N ATOM 1455 CA LEU B 614 9.789 -9.104 2.956 1.00 0.00 C ATOM 1456 C LEU B 614 8.625 -9.607 3.804 1.00 0.00 C ATOM 1457 O LEU B 614 8.085 -10.685 3.557 1.00 0.00 O ATOM 1458 CB LEU B 614 11.043 -8.966 3.822 1.00 0.00 C ATOM 1459 CG LEU B 614 11.400 -10.178 4.684 1.00 0.00 C ATOM 1460 CD1 LEU B 614 10.679 -10.113 6.022 1.00 0.00 C ATOM 1461 CD2 LEU B 614 11.061 -11.469 3.955 1.00 0.00 C ATOM 0 H LEU B 614 9.901 -7.019 2.772 1.00 0.00 H new ATOM 0 HA LEU B 614 9.978 -9.830 2.165 1.00 0.00 H new ATOM 0 HB2 LEU B 614 11.888 -8.747 3.170 1.00 0.00 H new ATOM 0 HB3 LEU B 614 10.915 -8.104 4.477 1.00 0.00 H new ATOM 0 HG LEU B 614 12.473 -10.162 4.873 1.00 0.00 H new ATOM 0 HD11 LEU B 614 10.945 -10.984 6.621 1.00 0.00 H new ATOM 0 HD12 LEU B 614 10.972 -9.205 6.550 1.00 0.00 H new ATOM 0 HD13 LEU B 614 9.602 -10.103 5.855 1.00 0.00 H new ATOM 0 HD21 LEU B 614 11.322 -12.321 4.583 1.00 0.00 H new ATOM 0 HD22 LEU B 614 9.994 -11.493 3.735 1.00 0.00 H new ATOM 0 HD23 LEU B 614 11.624 -11.519 3.023 1.00 0.00 H new ATOM 1473 N GLN B 615 8.242 -8.816 4.802 1.00 0.00 N ATOM 1474 CA GLN B 615 7.140 -9.181 5.684 1.00 0.00 C ATOM 1475 C GLN B 615 5.824 -9.243 4.915 1.00 0.00 C ATOM 1476 O GLN B 615 4.836 -9.792 5.401 1.00 0.00 O ATOM 1477 CB GLN B 615 7.026 -8.178 6.834 1.00 0.00 C ATOM 1478 CG GLN B 615 7.124 -6.728 6.387 1.00 0.00 C ATOM 1479 CD GLN B 615 6.207 -5.812 7.173 1.00 0.00 C ATOM 1480 OE1 GLN B 615 5.060 -5.582 6.786 1.00 0.00 O ATOM 1481 NE2 GLN B 615 6.706 -5.283 8.284 1.00 0.00 N ATOM 0 H GLN B 615 8.678 -7.920 5.019 1.00 0.00 H new ATOM 0 HA GLN B 615 7.347 -10.170 6.093 1.00 0.00 H new ATOM 0 HB2 GLN B 615 6.075 -8.329 7.344 1.00 0.00 H new ATOM 0 HB3 GLN B 615 7.813 -8.380 7.561 1.00 0.00 H new ATOM 0 HG2 GLN B 615 8.153 -6.387 6.497 1.00 0.00 H new ATOM 0 HG3 GLN B 615 6.877 -6.661 5.327 1.00 0.00 H new ATOM 0 HE21 GLN B 615 7.661 -5.500 8.568 1.00 0.00 H new ATOM 0 HE22 GLN B 615 6.134 -4.659 8.854 1.00 0.00 H new ATOM 1490 N ALA B 616 5.820 -8.675 3.714 1.00 0.00 N ATOM 1491 CA ALA B 616 4.626 -8.668 2.877 1.00 0.00 C ATOM 1492 C ALA B 616 4.546 -9.928 2.022 1.00 0.00 C ATOM 1493 O ALA B 616 3.458 -10.386 1.674 1.00 0.00 O ATOM 1494 CB ALA B 616 4.607 -7.428 1.995 1.00 0.00 C ATOM 0 H ALA B 616 6.629 -8.214 3.299 1.00 0.00 H new ATOM 0 HA ALA B 616 3.755 -8.649 3.532 1.00 0.00 H new ATOM 0 HB1 ALA B 616 3.710 -7.436 1.375 1.00 0.00 H new ATOM 0 HB2 ALA B 616 4.608 -6.536 2.621 1.00 0.00 H new ATOM 0 HB3 ALA B 616 5.490 -7.423 1.355 1.00 0.00 H new