USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 559 LYS NZ :NH3+ -124:sc= 0.0217 (180deg=-0.456) USER MOD Set 1.2: B 590 ASN : amide:sc= -0.929 K(o=-0.91,f=-7.2!) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : B 556 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.17) USER MOD Single : B 558 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : B 560 GLN : amide:sc= -0.0931 X(o=-0.093,f=-0.46) USER MOD Single : B 561 MET CE :methyl -139:sc= 0 (180deg=-0.0218) USER MOD Single : B 571 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : B 573 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 574 HIS : no HD1:sc= -0.827 K(o=-0.83,f=-1.9) USER MOD Single : B 576 THR OG1 : rot 180:sc= 0.00201 USER MOD Single : B 580 LYS NZ :NH3+ 167:sc= 0.311 (180deg=0.197) USER MOD Single : B 582 THR OG1 : rot 68:sc= 1.32 USER MOD Single : B 584 MET CE :methyl 145:sc= -2.34 (180deg=-5.53!) USER MOD Single : B 591 SER OG : rot 180:sc= 0 USER MOD Single : B 595 HIS : no HD1:sc= -0.0705 X(o=-0.07,f=-0.0011) USER MOD Single : B 596 MET CE :methyl -134:sc= -2.76! (180deg=-3.82!) USER MOD Single : B 599 SER OG : rot 180:sc= 0 USER MOD Single : B 602 SER OG : rot 180:sc= 0 USER MOD Single : B 605 SER OG : rot 180:sc= 0 USER MOD Single : B 606 LYS NZ :NH3+ -150:sc= 0.213 (180deg=0.141) USER MOD Single : B 615 GLN : amide:sc= -0.282 K(o=-0.28,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 67 N VAL A 77 8.703 -2.937 -6.166 1.00 0.00 N ATOM 68 CA VAL A 77 8.540 -4.330 -5.767 1.00 0.00 C ATOM 69 C VAL A 77 9.869 -5.076 -5.819 1.00 0.00 C ATOM 70 O VAL A 77 10.153 -5.825 -6.754 1.00 0.00 O ATOM 71 CB VAL A 77 7.521 -5.056 -6.666 1.00 0.00 C ATOM 72 CG1 VAL A 77 6.103 -4.626 -6.322 1.00 0.00 C ATOM 73 CG2 VAL A 77 7.825 -4.794 -8.134 1.00 0.00 C ATOM 0 HA VAL A 77 8.170 -4.324 -4.742 1.00 0.00 H new ATOM 0 HB VAL A 77 7.603 -6.128 -6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.397 -5.149 -6.967 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.892 -4.869 -5.281 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.003 -3.551 -6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.096 -5.314 -8.755 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.772 -3.723 -8.331 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.826 -5.157 -8.369 1.00 0.00 H new ATOM 83 N PRO A 78 10.704 -4.868 -4.790 1.00 0.00 N ATOM 84 CA PRO A 78 12.017 -5.512 -4.694 1.00 0.00 C ATOM 85 C PRO A 78 11.910 -7.011 -4.432 1.00 0.00 C ATOM 86 O PRO A 78 10.818 -7.578 -4.455 1.00 0.00 O ATOM 87 CB PRO A 78 12.673 -4.806 -3.505 1.00 0.00 C ATOM 88 CG PRO A 78 11.533 -4.324 -2.676 1.00 0.00 C ATOM 89 CD PRO A 78 10.431 -3.988 -3.642 1.00 0.00 C ATOM 0 HA PRO A 78 12.582 -5.426 -5.622 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.311 -5.488 -2.943 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.302 -3.978 -3.833 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.213 -5.090 -1.970 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.818 -3.450 -2.090 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.448 -4.181 -3.213 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.454 -2.936 -3.927 1.00 0.00 H new ATOM 97 N ASN A 79 13.050 -7.646 -4.181 1.00 0.00 N ATOM 98 CA ASN A 79 13.084 -9.079 -3.914 1.00 0.00 C ATOM 99 C ASN A 79 13.924 -9.383 -2.677 1.00 0.00 C ATOM 100 O ASN A 79 15.153 -9.373 -2.731 1.00 0.00 O ATOM 101 CB ASN A 79 13.645 -9.832 -5.122 1.00 0.00 C ATOM 102 CG ASN A 79 12.863 -11.094 -5.432 1.00 0.00 C ATOM 103 OD1 ASN A 79 12.540 -11.873 -4.535 1.00 0.00 O ATOM 104 ND2 ASN A 79 12.555 -11.301 -6.707 1.00 0.00 N ATOM 0 H ASN A 79 13.962 -7.191 -4.157 1.00 0.00 H new ATOM 0 HA ASN A 79 12.063 -9.412 -3.729 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.632 -9.177 -5.993 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.687 -10.091 -4.933 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.030 -12.133 -6.976 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.844 -10.628 -7.417 1.00 0.00 H new ATOM 111 N VAL A 80 13.251 -9.653 -1.563 1.00 0.00 N ATOM 112 CA VAL A 80 13.934 -9.961 -0.313 1.00 0.00 C ATOM 113 C VAL A 80 15.021 -11.009 -0.524 1.00 0.00 C ATOM 114 O VAL A 80 16.031 -11.022 0.180 1.00 0.00 O ATOM 115 CB VAL A 80 12.948 -10.469 0.756 1.00 0.00 C ATOM 116 CG1 VAL A 80 12.134 -11.636 0.219 1.00 0.00 C ATOM 117 CG2 VAL A 80 13.692 -10.864 2.022 1.00 0.00 C ATOM 0 H VAL A 80 12.233 -9.665 -1.501 1.00 0.00 H new ATOM 0 HA VAL A 80 14.389 -9.034 0.035 1.00 0.00 H new ATOM 0 HB VAL A 80 12.260 -9.661 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.443 -11.982 0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.571 -11.314 -0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.804 -12.450 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.980 -11.220 2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 80 14.405 -11.656 1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.225 -9.999 2.415 1.00 0.00 H new ATOM 127 N HIS A 81 14.808 -11.886 -1.500 1.00 0.00 N ATOM 128 CA HIS A 81 15.771 -12.938 -1.806 1.00 0.00 C ATOM 129 C HIS A 81 16.919 -12.395 -2.651 1.00 0.00 C ATOM 130 O HIS A 81 17.185 -12.890 -3.746 1.00 0.00 O ATOM 131 CB HIS A 81 15.083 -14.090 -2.539 1.00 0.00 C ATOM 132 CG HIS A 81 13.977 -14.725 -1.754 1.00 0.00 C ATOM 133 ND1 HIS A 81 12.643 -14.479 -2.000 1.00 0.00 N ATOM 134 CD2 HIS A 81 14.013 -15.601 -0.723 1.00 0.00 C ATOM 135 CE1 HIS A 81 11.906 -15.176 -1.153 1.00 0.00 C ATOM 136 NE2 HIS A 81 12.713 -15.865 -0.368 1.00 0.00 N ATOM 0 H HIS A 81 13.978 -11.889 -2.092 1.00 0.00 H new ATOM 0 HA HIS A 81 16.179 -13.308 -0.865 1.00 0.00 H new ATOM 0 HB2 HIS A 81 14.682 -13.721 -3.483 1.00 0.00 H new ATOM 0 HB3 HIS A 81 15.826 -14.849 -2.784 1.00 0.00 H new ATOM 0 HD2 HIS A 81 14.899 -16.015 -0.265 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.827 -15.181 -1.110 1.00 0.00 H new ATOM 0 HE2 HIS A 81 12.419 -16.492 0.381 1.00 0.00 H new ATOM 144 N ALA A 82 17.596 -11.374 -2.135 1.00 0.00 N ATOM 145 CA ALA A 82 18.716 -10.764 -2.842 1.00 0.00 C ATOM 146 C ALA A 82 19.999 -10.863 -2.025 1.00 0.00 C ATOM 147 O ALA A 82 20.186 -10.130 -1.054 1.00 0.00 O ATOM 148 CB ALA A 82 18.406 -9.311 -3.168 1.00 0.00 C ATOM 0 H ALA A 82 17.388 -10.952 -1.230 1.00 0.00 H new ATOM 0 HA ALA A 82 18.866 -11.309 -3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 82 19.251 -8.868 -3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.518 -9.261 -3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.227 -8.761 -2.244 1.00 0.00 H new ATOM 154 N ALA A 83 20.881 -11.774 -2.424 1.00 0.00 N ATOM 155 CA ALA A 83 22.147 -11.968 -1.729 1.00 0.00 C ATOM 156 C ALA A 83 22.898 -10.649 -1.578 1.00 0.00 C ATOM 157 O ALA A 83 22.570 -9.660 -2.234 1.00 0.00 O ATOM 158 CB ALA A 83 23.005 -12.984 -2.468 1.00 0.00 C ATOM 0 H ALA A 83 20.741 -12.389 -3.225 1.00 0.00 H new ATOM 0 HA ALA A 83 21.930 -12.349 -0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 83 23.948 -13.119 -1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 83 22.478 -13.937 -2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 83 23.205 -12.625 -3.478 1.00 0.00 H new ATOM 164 N GLU A 84 23.905 -10.642 -0.710 1.00 0.00 N ATOM 165 CA GLU A 84 24.700 -9.443 -0.474 1.00 0.00 C ATOM 166 C GLU A 84 25.210 -8.860 -1.789 1.00 0.00 C ATOM 167 O GLU A 84 25.429 -9.585 -2.759 1.00 0.00 O ATOM 168 CB GLU A 84 25.880 -9.760 0.447 1.00 0.00 C ATOM 169 CG GLU A 84 25.478 -9.990 1.895 1.00 0.00 C ATOM 170 CD GLU A 84 26.652 -9.894 2.849 1.00 0.00 C ATOM 171 OE1 GLU A 84 27.618 -10.667 2.679 1.00 0.00 O ATOM 172 OE2 GLU A 84 26.605 -9.047 3.765 1.00 0.00 O ATOM 0 H GLU A 84 24.189 -11.452 -0.159 1.00 0.00 H new ATOM 0 HA GLU A 84 24.060 -8.703 0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 84 26.392 -10.648 0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 84 26.595 -8.938 0.403 1.00 0.00 H new ATOM 0 HG2 GLU A 84 24.723 -9.257 2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 84 25.018 -10.974 1.989 1.00 0.00 H new ATOM 179 N PHE A 85 25.396 -7.544 -1.813 1.00 0.00 N ATOM 180 CA PHE A 85 25.878 -6.862 -3.008 1.00 0.00 C ATOM 181 C PHE A 85 27.343 -7.198 -3.273 1.00 0.00 C ATOM 182 O PHE A 85 27.880 -6.890 -4.337 1.00 0.00 O ATOM 183 CB PHE A 85 25.709 -5.349 -2.861 1.00 0.00 C ATOM 184 CG PHE A 85 26.821 -4.693 -2.093 1.00 0.00 C ATOM 185 CD1 PHE A 85 26.814 -4.688 -0.707 1.00 0.00 C ATOM 186 CD2 PHE A 85 27.872 -4.082 -2.756 1.00 0.00 C ATOM 187 CE1 PHE A 85 27.836 -4.085 0.002 1.00 0.00 C ATOM 188 CE2 PHE A 85 28.897 -3.478 -2.052 1.00 0.00 C ATOM 189 CZ PHE A 85 28.879 -3.480 -0.671 1.00 0.00 C ATOM 0 H PHE A 85 25.220 -6.929 -1.018 1.00 0.00 H new ATOM 0 HA PHE A 85 25.285 -7.206 -3.856 1.00 0.00 H new ATOM 0 HB2 PHE A 85 25.649 -4.900 -3.853 1.00 0.00 H new ATOM 0 HB3 PHE A 85 24.763 -5.144 -2.361 1.00 0.00 H new ATOM 0 HD1 PHE A 85 26.001 -5.160 -0.175 1.00 0.00 H new ATOM 0 HD2 PHE A 85 27.891 -4.077 -3.836 1.00 0.00 H new ATOM 0 HE1 PHE A 85 27.819 -4.087 1.082 1.00 0.00 H new ATOM 0 HE2 PHE A 85 29.711 -3.005 -2.581 1.00 0.00 H new ATOM 0 HZ PHE A 85 29.679 -3.009 -0.119 1.00 0.00 H new ATOM 537 N GLN B 556 31.224 -1.379 -13.574 1.00 0.00 N ATOM 538 CA GLN B 556 31.058 -2.683 -12.944 1.00 0.00 C ATOM 539 C GLN B 556 31.420 -2.622 -11.463 1.00 0.00 C ATOM 540 O GLN B 556 30.967 -3.447 -10.670 1.00 0.00 O ATOM 541 CB GLN B 556 31.925 -3.728 -13.650 1.00 0.00 C ATOM 542 CG GLN B 556 31.601 -3.888 -15.126 1.00 0.00 C ATOM 543 CD GLN B 556 30.126 -4.129 -15.378 1.00 0.00 C ATOM 544 OE1 GLN B 556 29.545 -5.086 -14.865 1.00 0.00 O ATOM 545 NE2 GLN B 556 29.511 -3.259 -16.170 1.00 0.00 N ATOM 0 HA GLN B 556 30.010 -2.970 -13.032 1.00 0.00 H new ATOM 0 HB2 GLN B 556 32.974 -3.450 -13.545 1.00 0.00 H new ATOM 0 HB3 GLN B 556 31.799 -4.689 -13.152 1.00 0.00 H new ATOM 0 HG2 GLN B 556 31.915 -2.992 -15.662 1.00 0.00 H new ATOM 0 HG3 GLN B 556 32.176 -4.721 -15.532 1.00 0.00 H new ATOM 0 HE21 GLN B 556 30.032 -2.480 -16.574 1.00 0.00 H new ATOM 0 HE22 GLN B 556 28.518 -3.369 -16.375 1.00 0.00 H new ATOM 554 N GLU B 557 32.239 -1.641 -11.099 1.00 0.00 N ATOM 555 CA GLU B 557 32.662 -1.474 -9.714 1.00 0.00 C ATOM 556 C GLU B 557 31.794 -0.442 -9.000 1.00 0.00 C ATOM 557 O GLU B 557 31.697 -0.440 -7.773 1.00 0.00 O ATOM 558 CB GLU B 557 34.131 -1.050 -9.653 1.00 0.00 C ATOM 559 CG GLU B 557 35.105 -2.211 -9.771 1.00 0.00 C ATOM 560 CD GLU B 557 34.775 -3.133 -10.928 1.00 0.00 C ATOM 561 OE1 GLU B 557 33.812 -3.919 -10.805 1.00 0.00 O ATOM 562 OE2 GLU B 557 35.481 -3.070 -11.957 1.00 0.00 O ATOM 0 H GLU B 557 32.623 -0.950 -11.744 1.00 0.00 H new ATOM 0 HA GLU B 557 32.547 -2.433 -9.208 1.00 0.00 H new ATOM 0 HB2 GLU B 557 34.329 -0.338 -10.454 1.00 0.00 H new ATOM 0 HB3 GLU B 557 34.311 -0.529 -8.713 1.00 0.00 H new ATOM 0 HG2 GLU B 557 36.115 -1.822 -9.898 1.00 0.00 H new ATOM 0 HG3 GLU B 557 35.098 -2.782 -8.843 1.00 0.00 H new ATOM 569 N GLN B 558 31.165 0.433 -9.778 1.00 0.00 N ATOM 570 CA GLN B 558 30.306 1.471 -9.221 1.00 0.00 C ATOM 571 C GLN B 558 29.331 0.884 -8.206 1.00 0.00 C ATOM 572 O GLN B 558 29.115 1.452 -7.135 1.00 0.00 O ATOM 573 CB GLN B 558 29.536 2.179 -10.337 1.00 0.00 C ATOM 574 CG GLN B 558 30.277 3.366 -10.930 1.00 0.00 C ATOM 575 CD GLN B 558 29.397 4.213 -11.828 1.00 0.00 C ATOM 576 OE1 GLN B 558 29.386 5.441 -11.726 1.00 0.00 O ATOM 577 NE2 GLN B 558 28.654 3.562 -12.715 1.00 0.00 N ATOM 0 H GLN B 558 31.234 0.444 -10.796 1.00 0.00 H new ATOM 0 HA GLN B 558 30.939 2.196 -8.711 1.00 0.00 H new ATOM 0 HB2 GLN B 558 29.321 1.462 -11.130 1.00 0.00 H new ATOM 0 HB3 GLN B 558 28.577 2.519 -9.946 1.00 0.00 H new ATOM 0 HG2 GLN B 558 30.669 3.985 -10.123 1.00 0.00 H new ATOM 0 HG3 GLN B 558 31.133 3.007 -11.501 1.00 0.00 H new ATOM 0 HE21 GLN B 558 28.694 2.544 -12.765 1.00 0.00 H new ATOM 0 HE22 GLN B 558 28.043 4.080 -13.347 1.00 0.00 H new ATOM 586 N LYS B 559 28.743 -0.257 -8.550 1.00 0.00 N ATOM 587 CA LYS B 559 27.791 -0.923 -7.670 1.00 0.00 C ATOM 588 C LYS B 559 28.422 -1.226 -6.315 1.00 0.00 C ATOM 589 O LYS B 559 27.804 -1.015 -5.272 1.00 0.00 O ATOM 590 CB LYS B 559 27.291 -2.219 -8.313 1.00 0.00 C ATOM 591 CG LYS B 559 26.655 -2.016 -9.677 1.00 0.00 C ATOM 592 CD LYS B 559 25.289 -1.361 -9.563 1.00 0.00 C ATOM 593 CE LYS B 559 24.759 -0.939 -10.925 1.00 0.00 C ATOM 594 NZ LYS B 559 25.621 0.096 -11.559 1.00 0.00 N ATOM 0 H LYS B 559 28.910 -0.740 -9.433 1.00 0.00 H new ATOM 0 HA LYS B 559 26.946 -0.252 -7.516 1.00 0.00 H new ATOM 0 HB2 LYS B 559 28.127 -2.912 -8.411 1.00 0.00 H new ATOM 0 HB3 LYS B 559 26.565 -2.687 -7.649 1.00 0.00 H new ATOM 0 HG2 LYS B 559 27.306 -1.397 -10.295 1.00 0.00 H new ATOM 0 HG3 LYS B 559 26.558 -2.978 -10.181 1.00 0.00 H new ATOM 0 HD2 LYS B 559 24.589 -2.055 -9.098 1.00 0.00 H new ATOM 0 HD3 LYS B 559 25.355 -0.490 -8.911 1.00 0.00 H new ATOM 0 HE2 LYS B 559 24.698 -1.810 -11.577 1.00 0.00 H new ATOM 0 HE3 LYS B 559 23.746 -0.551 -10.816 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 25.047 0.932 -11.789 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 26.379 0.367 -10.901 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 26.040 -0.287 -12.431 1.00 0.00 H new ATOM 608 N GLN B 560 29.656 -1.719 -6.339 1.00 0.00 N ATOM 609 CA GLN B 560 30.370 -2.049 -5.111 1.00 0.00 C ATOM 610 C GLN B 560 30.598 -0.803 -4.262 1.00 0.00 C ATOM 611 O GLN B 560 30.455 -0.838 -3.040 1.00 0.00 O ATOM 612 CB GLN B 560 31.710 -2.711 -5.437 1.00 0.00 C ATOM 613 CG GLN B 560 31.615 -3.775 -6.519 1.00 0.00 C ATOM 614 CD GLN B 560 30.539 -4.804 -6.232 1.00 0.00 C ATOM 615 OE1 GLN B 560 30.249 -5.110 -5.075 1.00 0.00 O ATOM 616 NE2 GLN B 560 29.941 -5.344 -7.287 1.00 0.00 N ATOM 0 H GLN B 560 30.182 -1.899 -7.194 1.00 0.00 H new ATOM 0 HA GLN B 560 29.757 -2.747 -4.541 1.00 0.00 H new ATOM 0 HB2 GLN B 560 32.417 -1.944 -5.754 1.00 0.00 H new ATOM 0 HB3 GLN B 560 32.113 -3.162 -4.530 1.00 0.00 H new ATOM 0 HG2 GLN B 560 31.409 -3.297 -7.477 1.00 0.00 H new ATOM 0 HG3 GLN B 560 32.577 -4.278 -6.614 1.00 0.00 H new ATOM 0 HE21 GLN B 560 30.213 -5.060 -8.228 1.00 0.00 H new ATOM 0 HE22 GLN B 560 29.209 -6.042 -7.156 1.00 0.00 H new ATOM 625 N MET B 561 30.954 0.297 -4.918 1.00 0.00 N ATOM 626 CA MET B 561 31.201 1.554 -4.222 1.00 0.00 C ATOM 627 C MET B 561 29.946 2.032 -3.499 1.00 0.00 C ATOM 628 O MET B 561 29.942 2.186 -2.277 1.00 0.00 O ATOM 629 CB MET B 561 31.672 2.624 -5.210 1.00 0.00 C ATOM 630 CG MET B 561 32.818 2.167 -6.099 1.00 0.00 C ATOM 631 SD MET B 561 33.657 3.542 -6.910 1.00 0.00 S ATOM 632 CE MET B 561 34.700 4.134 -5.580 1.00 0.00 C ATOM 0 H MET B 561 31.078 0.343 -5.929 1.00 0.00 H new ATOM 0 HA MET B 561 31.982 1.383 -3.482 1.00 0.00 H new ATOM 0 HB2 MET B 561 30.832 2.922 -5.838 1.00 0.00 H new ATOM 0 HB3 MET B 561 31.984 3.508 -4.654 1.00 0.00 H new ATOM 0 HG2 MET B 561 33.538 1.609 -5.500 1.00 0.00 H new ATOM 0 HG3 MET B 561 32.435 1.482 -6.856 1.00 0.00 H new ATOM 0 HE1 MET B 561 34.702 5.224 -5.576 1.00 0.00 H new ATOM 0 HE2 MET B 561 34.317 3.769 -4.627 1.00 0.00 H new ATOM 0 HE3 MET B 561 35.717 3.770 -5.726 1.00 0.00 H new ATOM 642 N LEU B 562 28.882 2.264 -4.260 1.00 0.00 N ATOM 643 CA LEU B 562 27.620 2.724 -3.691 1.00 0.00 C ATOM 644 C LEU B 562 27.185 1.829 -2.536 1.00 0.00 C ATOM 645 O LEU B 562 26.915 2.306 -1.435 1.00 0.00 O ATOM 646 CB LEU B 562 26.533 2.753 -4.767 1.00 0.00 C ATOM 647 CG LEU B 562 26.574 3.939 -5.731 1.00 0.00 C ATOM 648 CD1 LEU B 562 25.520 3.782 -6.816 1.00 0.00 C ATOM 649 CD2 LEU B 562 26.374 5.246 -4.977 1.00 0.00 C ATOM 0 H LEU B 562 28.868 2.141 -5.272 1.00 0.00 H new ATOM 0 HA LEU B 562 27.769 3.733 -3.307 1.00 0.00 H new ATOM 0 HB2 LEU B 562 26.602 1.834 -5.350 1.00 0.00 H new ATOM 0 HB3 LEU B 562 25.561 2.745 -4.274 1.00 0.00 H new ATOM 0 HG LEU B 562 27.555 3.962 -6.206 1.00 0.00 H new ATOM 0 HD11 LEU B 562 25.564 4.635 -7.493 1.00 0.00 H new ATOM 0 HD12 LEU B 562 25.707 2.865 -7.375 1.00 0.00 H new ATOM 0 HD13 LEU B 562 24.532 3.732 -6.359 1.00 0.00 H new ATOM 0 HD21 LEU B 562 26.406 6.079 -5.679 1.00 0.00 H new ATOM 0 HD22 LEU B 562 25.407 5.232 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU B 562 27.166 5.364 -4.237 1.00 0.00 H new ATOM 661 N GLY B 563 27.120 0.526 -2.796 1.00 0.00 N ATOM 662 CA GLY B 563 26.719 -0.416 -1.767 1.00 0.00 C ATOM 663 C GLY B 563 27.649 -0.398 -0.570 1.00 0.00 C ATOM 664 O GLY B 563 27.199 -0.458 0.573 1.00 0.00 O ATOM 0 H GLY B 563 27.338 0.107 -3.700 1.00 0.00 H new ATOM 0 HA2 GLY B 563 25.706 -0.182 -1.440 1.00 0.00 H new ATOM 0 HA3 GLY B 563 26.694 -1.421 -2.189 1.00 0.00 H new ATOM 668 N GLU B 564 28.949 -0.316 -0.834 1.00 0.00 N ATOM 669 CA GLU B 564 29.944 -0.293 0.232 1.00 0.00 C ATOM 670 C GLU B 564 29.668 0.846 1.209 1.00 0.00 C ATOM 671 O GLU B 564 29.732 0.665 2.425 1.00 0.00 O ATOM 672 CB GLU B 564 31.350 -0.148 -0.354 1.00 0.00 C ATOM 673 CG GLU B 564 32.032 -1.476 -0.635 1.00 0.00 C ATOM 674 CD GLU B 564 32.489 -2.176 0.630 1.00 0.00 C ATOM 675 OE1 GLU B 564 32.284 -1.613 1.726 1.00 0.00 O ATOM 676 OE2 GLU B 564 33.051 -3.286 0.525 1.00 0.00 O ATOM 0 H GLU B 564 29.338 -0.264 -1.776 1.00 0.00 H new ATOM 0 HA GLU B 564 29.880 -1.237 0.773 1.00 0.00 H new ATOM 0 HB2 GLU B 564 31.291 0.424 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU B 564 31.965 0.428 0.338 1.00 0.00 H new ATOM 0 HG2 GLU B 564 31.345 -2.126 -1.177 1.00 0.00 H new ATOM 0 HG3 GLU B 564 32.892 -1.309 -1.284 1.00 0.00 H new ATOM 683 N ARG B 565 29.362 2.021 0.668 1.00 0.00 N ATOM 684 CA ARG B 565 29.079 3.190 1.491 1.00 0.00 C ATOM 685 C ARG B 565 27.687 3.096 2.108 1.00 0.00 C ATOM 686 O ARG B 565 27.439 3.629 3.191 1.00 0.00 O ATOM 687 CB ARG B 565 29.192 4.467 0.656 1.00 0.00 C ATOM 688 CG ARG B 565 30.526 4.611 -0.059 1.00 0.00 C ATOM 689 CD ARG B 565 31.436 5.600 0.652 1.00 0.00 C ATOM 690 NE ARG B 565 32.139 4.987 1.775 1.00 0.00 N ATOM 691 CZ ARG B 565 32.668 5.679 2.778 1.00 0.00 C ATOM 692 NH1 ARG B 565 32.573 7.002 2.797 1.00 0.00 N ATOM 693 NH2 ARG B 565 33.293 5.049 3.764 1.00 0.00 N ATOM 0 H ARG B 565 29.304 2.188 -0.337 1.00 0.00 H new ATOM 0 HA ARG B 565 29.813 3.223 2.296 1.00 0.00 H new ATOM 0 HB2 ARG B 565 28.390 4.480 -0.082 1.00 0.00 H new ATOM 0 HB3 ARG B 565 29.042 5.330 1.305 1.00 0.00 H new ATOM 0 HG2 ARG B 565 31.017 3.639 -0.115 1.00 0.00 H new ATOM 0 HG3 ARG B 565 30.357 4.942 -1.084 1.00 0.00 H new ATOM 0 HD2 ARG B 565 32.162 5.998 -0.056 1.00 0.00 H new ATOM 0 HD3 ARG B 565 30.845 6.443 1.011 1.00 0.00 H new ATOM 0 HE ARG B 565 32.229 3.971 1.790 1.00 0.00 H new ATOM 0 HH11 ARG B 565 32.093 7.490 2.041 1.00 0.00 H new ATOM 0 HH12 ARG B 565 32.980 7.531 3.568 1.00 0.00 H new ATOM 0 HH21 ARG B 565 33.368 4.032 3.753 1.00 0.00 H new ATOM 0 HH22 ARG B 565 33.699 5.582 4.533 1.00 0.00 H new ATOM 707 N LEU B 566 26.782 2.416 1.413 1.00 0.00 N ATOM 708 CA LEU B 566 25.414 2.252 1.893 1.00 0.00 C ATOM 709 C LEU B 566 25.349 1.217 3.012 1.00 0.00 C ATOM 710 O LEU B 566 24.417 1.214 3.816 1.00 0.00 O ATOM 711 CB LEU B 566 24.496 1.834 0.743 1.00 0.00 C ATOM 712 CG LEU B 566 24.173 2.918 -0.286 1.00 0.00 C ATOM 713 CD1 LEU B 566 23.866 2.295 -1.639 1.00 0.00 C ATOM 714 CD2 LEU B 566 23.005 3.772 0.187 1.00 0.00 C ATOM 0 H LEU B 566 26.970 1.969 0.516 1.00 0.00 H new ATOM 0 HA LEU B 566 25.077 3.210 2.289 1.00 0.00 H new ATOM 0 HB2 LEU B 566 24.957 0.994 0.224 1.00 0.00 H new ATOM 0 HB3 LEU B 566 23.559 1.472 1.166 1.00 0.00 H new ATOM 0 HG LEU B 566 25.047 3.561 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU B 566 23.638 3.082 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU B 566 24.731 1.728 -1.983 1.00 0.00 H new ATOM 0 HD13 LEU B 566 23.008 1.629 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU B 566 22.789 4.538 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU B 566 22.126 3.142 0.325 1.00 0.00 H new ATOM 0 HD23 LEU B 566 23.262 4.248 1.133 1.00 0.00 H new ATOM 726 N PHE B 567 26.347 0.341 3.058 1.00 0.00 N ATOM 727 CA PHE B 567 26.405 -0.699 4.079 1.00 0.00 C ATOM 728 C PHE B 567 26.335 -0.092 5.478 1.00 0.00 C ATOM 729 O PHE B 567 25.454 -0.409 6.276 1.00 0.00 O ATOM 730 CB PHE B 567 27.688 -1.519 3.930 1.00 0.00 C ATOM 731 CG PHE B 567 28.152 -2.145 5.215 1.00 0.00 C ATOM 732 CD1 PHE B 567 27.307 -2.965 5.946 1.00 0.00 C ATOM 733 CD2 PHE B 567 29.432 -1.913 5.691 1.00 0.00 C ATOM 734 CE1 PHE B 567 27.731 -3.542 7.128 1.00 0.00 C ATOM 735 CE2 PHE B 567 29.862 -2.488 6.872 1.00 0.00 C ATOM 736 CZ PHE B 567 29.010 -3.303 7.592 1.00 0.00 C ATOM 0 H PHE B 567 27.127 0.330 2.400 1.00 0.00 H new ATOM 0 HA PHE B 567 25.545 -1.355 3.943 1.00 0.00 H new ATOM 0 HB2 PHE B 567 27.525 -2.304 3.191 1.00 0.00 H new ATOM 0 HB3 PHE B 567 28.478 -0.876 3.542 1.00 0.00 H new ATOM 0 HD1 PHE B 567 26.306 -3.155 5.588 1.00 0.00 H new ATOM 0 HD2 PHE B 567 30.102 -1.275 5.133 1.00 0.00 H new ATOM 0 HE1 PHE B 567 27.063 -4.179 7.688 1.00 0.00 H new ATOM 0 HE2 PHE B 567 30.863 -2.300 7.232 1.00 0.00 H new ATOM 0 HZ PHE B 567 29.343 -3.752 8.516 1.00 0.00 H new ATOM 746 N PRO B 568 27.288 0.802 5.782 1.00 0.00 N ATOM 747 CA PRO B 568 27.357 1.473 7.084 1.00 0.00 C ATOM 748 C PRO B 568 26.221 2.469 7.284 1.00 0.00 C ATOM 749 O PRO B 568 25.769 2.694 8.408 1.00 0.00 O ATOM 750 CB PRO B 568 28.704 2.199 7.037 1.00 0.00 C ATOM 751 CG PRO B 568 28.970 2.411 5.587 1.00 0.00 C ATOM 752 CD PRO B 568 28.370 1.228 4.879 1.00 0.00 C ATOM 0 HA PRO B 568 27.265 0.769 7.911 1.00 0.00 H new ATOM 0 HB2 PRO B 568 28.662 3.146 7.574 1.00 0.00 H new ATOM 0 HB3 PRO B 568 29.491 1.604 7.501 1.00 0.00 H new ATOM 0 HG2 PRO B 568 28.522 3.342 5.240 1.00 0.00 H new ATOM 0 HG3 PRO B 568 30.040 2.481 5.393 1.00 0.00 H new ATOM 0 HD2 PRO B 568 27.988 1.500 3.895 1.00 0.00 H new ATOM 0 HD3 PRO B 568 29.103 0.436 4.729 1.00 0.00 H new ATOM 760 N LEU B 569 25.762 3.064 6.188 1.00 0.00 N ATOM 761 CA LEU B 569 24.676 4.037 6.243 1.00 0.00 C ATOM 762 C LEU B 569 23.407 3.405 6.806 1.00 0.00 C ATOM 763 O LEU B 569 22.855 3.877 7.800 1.00 0.00 O ATOM 764 CB LEU B 569 24.402 4.604 4.849 1.00 0.00 C ATOM 765 CG LEU B 569 25.425 5.612 4.322 1.00 0.00 C ATOM 766 CD1 LEU B 569 25.246 5.820 2.826 1.00 0.00 C ATOM 767 CD2 LEU B 569 25.303 6.934 5.066 1.00 0.00 C ATOM 0 H LEU B 569 26.125 2.890 5.251 1.00 0.00 H new ATOM 0 HA LEU B 569 24.980 4.848 6.905 1.00 0.00 H new ATOM 0 HB2 LEU B 569 24.344 3.773 4.146 1.00 0.00 H new ATOM 0 HB3 LEU B 569 23.422 5.082 4.859 1.00 0.00 H new ATOM 0 HG LEU B 569 26.424 5.212 4.495 1.00 0.00 H new ATOM 0 HD11 LEU B 569 25.982 6.540 2.468 1.00 0.00 H new ATOM 0 HD12 LEU B 569 25.385 4.871 2.308 1.00 0.00 H new ATOM 0 HD13 LEU B 569 24.243 6.198 2.629 1.00 0.00 H new ATOM 0 HD21 LEU B 569 26.038 7.639 4.678 1.00 0.00 H new ATOM 0 HD22 LEU B 569 24.301 7.340 4.925 1.00 0.00 H new ATOM 0 HD23 LEU B 569 25.482 6.771 6.129 1.00 0.00 H new ATOM 779 N ILE B 570 22.950 2.335 6.165 1.00 0.00 N ATOM 780 CA ILE B 570 21.748 1.637 6.603 1.00 0.00 C ATOM 781 C ILE B 570 22.022 0.801 7.849 1.00 0.00 C ATOM 782 O ILE B 570 21.098 0.426 8.571 1.00 0.00 O ATOM 783 CB ILE B 570 21.193 0.722 5.496 1.00 0.00 C ATOM 784 CG1 ILE B 570 20.906 1.532 4.231 1.00 0.00 C ATOM 785 CG2 ILE B 570 19.934 0.014 5.976 1.00 0.00 C ATOM 786 CD1 ILE B 570 21.225 0.790 2.952 1.00 0.00 C ATOM 0 H ILE B 570 23.394 1.932 5.340 1.00 0.00 H new ATOM 0 HA ILE B 570 21.006 2.401 6.836 1.00 0.00 H new ATOM 0 HB ILE B 570 21.943 -0.033 5.259 1.00 0.00 H new ATOM 0 HG12 ILE B 570 19.854 1.817 4.223 1.00 0.00 H new ATOM 0 HG13 ILE B 570 21.486 2.454 4.261 1.00 0.00 H new ATOM 0 HG21 ILE B 570 19.553 -0.629 5.183 1.00 0.00 H new ATOM 0 HG22 ILE B 570 20.168 -0.591 6.852 1.00 0.00 H new ATOM 0 HG23 ILE B 570 19.178 0.754 6.237 1.00 0.00 H new ATOM 0 HD11 ILE B 570 20.997 1.425 2.096 1.00 0.00 H new ATOM 0 HD12 ILE B 570 22.283 0.528 2.938 1.00 0.00 H new ATOM 0 HD13 ILE B 570 20.625 -0.119 2.899 1.00 0.00 H new ATOM 798 N GLN B 571 23.296 0.514 8.094 1.00 0.00 N ATOM 799 CA GLN B 571 23.691 -0.277 9.254 1.00 0.00 C ATOM 800 C GLN B 571 23.212 0.376 10.547 1.00 0.00 C ATOM 801 O GLN B 571 23.095 -0.283 11.580 1.00 0.00 O ATOM 802 CB GLN B 571 25.210 -0.449 9.287 1.00 0.00 C ATOM 803 CG GLN B 571 25.745 -0.873 10.646 1.00 0.00 C ATOM 804 CD GLN B 571 27.025 -1.679 10.543 1.00 0.00 C ATOM 805 OE1 GLN B 571 27.965 -1.287 9.852 1.00 0.00 O ATOM 806 NE2 GLN B 571 27.068 -2.812 11.234 1.00 0.00 N ATOM 0 H GLN B 571 24.072 0.817 7.506 1.00 0.00 H new ATOM 0 HA GLN B 571 23.224 -1.258 9.170 1.00 0.00 H new ATOM 0 HB2 GLN B 571 25.499 -1.192 8.544 1.00 0.00 H new ATOM 0 HB3 GLN B 571 25.680 0.491 8.998 1.00 0.00 H new ATOM 0 HG2 GLN B 571 25.926 0.014 11.254 1.00 0.00 H new ATOM 0 HG3 GLN B 571 24.988 -1.464 11.162 1.00 0.00 H new ATOM 0 HE21 GLN B 571 26.265 -3.099 11.794 1.00 0.00 H new ATOM 0 HE22 GLN B 571 27.904 -3.396 11.205 1.00 0.00 H new ATOM 815 N ALA B 572 22.937 1.674 10.481 1.00 0.00 N ATOM 816 CA ALA B 572 22.470 2.416 11.646 1.00 0.00 C ATOM 817 C ALA B 572 20.949 2.375 11.748 1.00 0.00 C ATOM 818 O ALA B 572 20.352 3.089 12.555 1.00 0.00 O ATOM 819 CB ALA B 572 22.958 3.855 11.586 1.00 0.00 C ATOM 0 H ALA B 572 23.029 2.234 9.633 1.00 0.00 H new ATOM 0 HA ALA B 572 22.881 1.942 12.537 1.00 0.00 H new ATOM 0 HB1 ALA B 572 22.602 4.397 12.462 1.00 0.00 H new ATOM 0 HB2 ALA B 572 24.048 3.869 11.569 1.00 0.00 H new ATOM 0 HB3 ALA B 572 22.575 4.332 10.684 1.00 0.00 H new ATOM 825 N MET B 573 20.327 1.536 10.926 1.00 0.00 N ATOM 826 CA MET B 573 18.875 1.403 10.926 1.00 0.00 C ATOM 827 C MET B 573 18.463 -0.062 10.822 1.00 0.00 C ATOM 828 O MET B 573 17.771 -0.586 11.695 1.00 0.00 O ATOM 829 CB MET B 573 18.269 2.199 9.768 1.00 0.00 C ATOM 830 CG MET B 573 18.797 3.620 9.665 1.00 0.00 C ATOM 831 SD MET B 573 17.791 4.659 8.588 1.00 0.00 S ATOM 832 CE MET B 573 18.560 4.346 7.001 1.00 0.00 C ATOM 0 H MET B 573 20.806 0.939 10.252 1.00 0.00 H new ATOM 0 HA MET B 573 18.498 1.802 11.868 1.00 0.00 H new ATOM 0 HB2 MET B 573 18.472 1.676 8.833 1.00 0.00 H new ATOM 0 HB3 MET B 573 17.186 2.230 9.887 1.00 0.00 H new ATOM 0 HG2 MET B 573 18.833 4.063 10.660 1.00 0.00 H new ATOM 0 HG3 MET B 573 19.820 3.597 9.289 1.00 0.00 H new ATOM 0 HE1 MET B 573 18.048 4.920 6.229 1.00 0.00 H new ATOM 0 HE2 MET B 573 19.608 4.644 7.039 1.00 0.00 H new ATOM 0 HE3 MET B 573 18.493 3.283 6.768 1.00 0.00 H new ATOM 842 N HIS B 574 18.893 -0.718 9.748 1.00 0.00 N ATOM 843 CA HIS B 574 18.569 -2.124 9.531 1.00 0.00 C ATOM 844 C HIS B 574 19.815 -2.916 9.148 1.00 0.00 C ATOM 845 O HIS B 574 19.960 -3.386 8.020 1.00 0.00 O ATOM 846 CB HIS B 574 17.508 -2.261 8.438 1.00 0.00 C ATOM 847 CG HIS B 574 16.206 -1.606 8.782 1.00 0.00 C ATOM 848 ND1 HIS B 574 15.447 -0.912 7.864 1.00 0.00 N ATOM 849 CD2 HIS B 574 15.527 -1.545 9.952 1.00 0.00 C ATOM 850 CE1 HIS B 574 14.359 -0.450 8.454 1.00 0.00 C ATOM 851 NE2 HIS B 574 14.384 -0.821 9.722 1.00 0.00 N ATOM 0 H HIS B 574 19.466 -0.299 9.015 1.00 0.00 H new ATOM 0 HA HIS B 574 18.175 -2.529 10.463 1.00 0.00 H new ATOM 0 HB2 HIS B 574 17.891 -1.826 7.515 1.00 0.00 H new ATOM 0 HB3 HIS B 574 17.333 -3.319 8.244 1.00 0.00 H new ATOM 0 HD2 HIS B 574 15.829 -1.984 10.891 1.00 0.00 H new ATOM 0 HE1 HIS B 574 13.582 0.132 7.981 1.00 0.00 H new ATOM 0 HE2 HIS B 574 13.670 -0.604 10.417 1.00 0.00 H new ATOM 859 N PRO B 575 20.739 -3.068 10.110 1.00 0.00 N ATOM 860 CA PRO B 575 21.989 -3.802 9.897 1.00 0.00 C ATOM 861 C PRO B 575 21.762 -5.302 9.743 1.00 0.00 C ATOM 862 O PRO B 575 22.571 -6.005 9.137 1.00 0.00 O ATOM 863 CB PRO B 575 22.792 -3.511 11.168 1.00 0.00 C ATOM 864 CG PRO B 575 21.765 -3.207 12.203 1.00 0.00 C ATOM 865 CD PRO B 575 20.632 -2.534 11.478 1.00 0.00 C ATOM 0 HA PRO B 575 22.490 -3.495 8.979 1.00 0.00 H new ATOM 0 HB2 PRO B 575 23.402 -4.367 11.455 1.00 0.00 H new ATOM 0 HB3 PRO B 575 23.470 -2.670 11.024 1.00 0.00 H new ATOM 0 HG2 PRO B 575 21.426 -4.118 12.696 1.00 0.00 H new ATOM 0 HG3 PRO B 575 22.172 -2.558 12.978 1.00 0.00 H new ATOM 0 HD2 PRO B 575 19.668 -2.772 11.928 1.00 0.00 H new ATOM 0 HD3 PRO B 575 20.732 -1.449 11.495 1.00 0.00 H new ATOM 873 N THR B 576 20.653 -5.788 10.294 1.00 0.00 N ATOM 874 CA THR B 576 20.319 -7.204 10.218 1.00 0.00 C ATOM 875 C THR B 576 20.387 -7.709 8.781 1.00 0.00 C ATOM 876 O THR B 576 20.785 -8.847 8.530 1.00 0.00 O ATOM 877 CB THR B 576 18.913 -7.481 10.782 1.00 0.00 C ATOM 878 OG1 THR B 576 18.758 -6.836 12.051 1.00 0.00 O ATOM 879 CG2 THR B 576 18.676 -8.976 10.935 1.00 0.00 C ATOM 0 H THR B 576 19.971 -5.221 10.798 1.00 0.00 H new ATOM 0 HA THR B 576 21.055 -7.735 10.822 1.00 0.00 H new ATOM 0 HB THR B 576 18.180 -7.083 10.081 1.00 0.00 H new ATOM 0 HG1 THR B 576 17.861 -7.016 12.402 1.00 0.00 H new ATOM 0 HG21 THR B 576 17.677 -9.147 11.335 1.00 0.00 H new ATOM 0 HG22 THR B 576 18.765 -9.460 9.962 1.00 0.00 H new ATOM 0 HG23 THR B 576 19.416 -9.394 11.617 1.00 0.00 H new ATOM 887 N LEU B 577 19.996 -6.856 7.841 1.00 0.00 N ATOM 888 CA LEU B 577 20.013 -7.215 6.427 1.00 0.00 C ATOM 889 C LEU B 577 20.431 -6.026 5.568 1.00 0.00 C ATOM 890 O LEU B 577 20.026 -5.910 4.411 1.00 0.00 O ATOM 891 CB LEU B 577 18.635 -7.714 5.991 1.00 0.00 C ATOM 892 CG LEU B 577 17.855 -8.524 7.027 1.00 0.00 C ATOM 893 CD1 LEU B 577 16.959 -7.614 7.853 1.00 0.00 C ATOM 894 CD2 LEU B 577 17.034 -9.610 6.348 1.00 0.00 C ATOM 0 H LEU B 577 19.663 -5.911 8.032 1.00 0.00 H new ATOM 0 HA LEU B 577 20.742 -8.013 6.289 1.00 0.00 H new ATOM 0 HB2 LEU B 577 18.033 -6.852 5.705 1.00 0.00 H new ATOM 0 HB3 LEU B 577 18.759 -8.327 5.098 1.00 0.00 H new ATOM 0 HG LEU B 577 18.569 -9.002 7.697 1.00 0.00 H new ATOM 0 HD11 LEU B 577 16.412 -8.209 8.585 1.00 0.00 H new ATOM 0 HD12 LEU B 577 17.570 -6.874 8.370 1.00 0.00 H new ATOM 0 HD13 LEU B 577 16.252 -7.106 7.197 1.00 0.00 H new ATOM 0 HD21 LEU B 577 16.486 -10.176 7.101 1.00 0.00 H new ATOM 0 HD22 LEU B 577 16.329 -9.153 5.653 1.00 0.00 H new ATOM 0 HD23 LEU B 577 17.698 -10.280 5.802 1.00 0.00 H new ATOM 906 N ALA B 578 21.246 -5.146 6.141 1.00 0.00 N ATOM 907 CA ALA B 578 21.722 -3.968 5.426 1.00 0.00 C ATOM 908 C ALA B 578 22.280 -4.345 4.058 1.00 0.00 C ATOM 909 O ALA B 578 21.853 -3.812 3.034 1.00 0.00 O ATOM 910 CB ALA B 578 22.778 -3.244 6.248 1.00 0.00 C ATOM 0 H ALA B 578 21.590 -5.227 7.098 1.00 0.00 H new ATOM 0 HA ALA B 578 20.875 -3.299 5.272 1.00 0.00 H new ATOM 0 HB1 ALA B 578 23.125 -2.366 5.703 1.00 0.00 H new ATOM 0 HB2 ALA B 578 22.348 -2.933 7.200 1.00 0.00 H new ATOM 0 HB3 ALA B 578 23.619 -3.913 6.431 1.00 0.00 H new ATOM 916 N GLY B 579 23.238 -5.266 4.047 1.00 0.00 N ATOM 917 CA GLY B 579 23.839 -5.697 2.799 1.00 0.00 C ATOM 918 C GLY B 579 22.809 -6.162 1.789 1.00 0.00 C ATOM 919 O GLY B 579 22.901 -5.841 0.604 1.00 0.00 O ATOM 0 H GLY B 579 23.609 -5.722 4.881 1.00 0.00 H new ATOM 0 HA2 GLY B 579 24.415 -4.875 2.374 1.00 0.00 H new ATOM 0 HA3 GLY B 579 24.540 -6.508 2.998 1.00 0.00 H new ATOM 923 N LYS B 580 21.824 -6.922 2.258 1.00 0.00 N ATOM 924 CA LYS B 580 20.771 -7.433 1.388 1.00 0.00 C ATOM 925 C LYS B 580 20.007 -6.289 0.729 1.00 0.00 C ATOM 926 O LYS B 580 19.994 -6.163 -0.496 1.00 0.00 O ATOM 927 CB LYS B 580 19.806 -8.313 2.185 1.00 0.00 C ATOM 928 CG LYS B 580 20.376 -9.676 2.537 1.00 0.00 C ATOM 929 CD LYS B 580 19.311 -10.593 3.115 1.00 0.00 C ATOM 930 CE LYS B 580 18.299 -11.007 2.057 1.00 0.00 C ATOM 931 NZ LYS B 580 17.309 -11.984 2.590 1.00 0.00 N ATOM 0 H LYS B 580 21.733 -7.197 3.236 1.00 0.00 H new ATOM 0 HA LYS B 580 21.238 -8.032 0.606 1.00 0.00 H new ATOM 0 HB2 LYS B 580 19.530 -7.796 3.104 1.00 0.00 H new ATOM 0 HB3 LYS B 580 18.891 -8.449 1.609 1.00 0.00 H new ATOM 0 HG2 LYS B 580 20.806 -10.133 1.646 1.00 0.00 H new ATOM 0 HG3 LYS B 580 21.186 -9.558 3.257 1.00 0.00 H new ATOM 0 HD2 LYS B 580 19.783 -11.481 3.536 1.00 0.00 H new ATOM 0 HD3 LYS B 580 18.798 -10.087 3.933 1.00 0.00 H new ATOM 0 HE2 LYS B 580 17.776 -10.124 1.689 1.00 0.00 H new ATOM 0 HE3 LYS B 580 18.821 -11.446 1.207 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 16.517 -12.074 1.923 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 17.766 -12.910 2.712 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 16.952 -11.651 3.508 1.00 0.00 H new ATOM 945 N ILE B 581 19.373 -5.457 1.549 1.00 0.00 N ATOM 946 CA ILE B 581 18.609 -4.323 1.045 1.00 0.00 C ATOM 947 C ILE B 581 19.501 -3.362 0.266 1.00 0.00 C ATOM 948 O ILE B 581 19.026 -2.600 -0.577 1.00 0.00 O ATOM 949 CB ILE B 581 17.922 -3.554 2.189 1.00 0.00 C ATOM 950 CG1 ILE B 581 18.955 -3.106 3.225 1.00 0.00 C ATOM 951 CG2 ILE B 581 16.852 -4.418 2.839 1.00 0.00 C ATOM 952 CD1 ILE B 581 18.344 -2.654 4.532 1.00 0.00 C ATOM 0 H ILE B 581 19.374 -5.547 2.565 1.00 0.00 H new ATOM 0 HA ILE B 581 17.846 -4.727 0.380 1.00 0.00 H new ATOM 0 HB ILE B 581 17.443 -2.667 1.775 1.00 0.00 H new ATOM 0 HG12 ILE B 581 19.642 -3.929 3.420 1.00 0.00 H new ATOM 0 HG13 ILE B 581 19.545 -2.290 2.808 1.00 0.00 H new ATOM 0 HG21 ILE B 581 16.375 -3.861 3.646 1.00 0.00 H new ATOM 0 HG22 ILE B 581 16.104 -4.691 2.095 1.00 0.00 H new ATOM 0 HG23 ILE B 581 17.309 -5.321 3.243 1.00 0.00 H new ATOM 0 HD11 ILE B 581 19.135 -2.351 5.218 1.00 0.00 H new ATOM 0 HD12 ILE B 581 17.679 -1.810 4.350 1.00 0.00 H new ATOM 0 HD13 ILE B 581 17.777 -3.475 4.972 1.00 0.00 H new ATOM 964 N THR B 582 20.799 -3.405 0.551 1.00 0.00 N ATOM 965 CA THR B 582 21.758 -2.539 -0.123 1.00 0.00 C ATOM 966 C THR B 582 21.944 -2.953 -1.579 1.00 0.00 C ATOM 967 O THR B 582 21.890 -2.120 -2.482 1.00 0.00 O ATOM 968 CB THR B 582 23.127 -2.560 0.583 1.00 0.00 C ATOM 969 OG1 THR B 582 23.039 -1.884 1.842 1.00 0.00 O ATOM 970 CG2 THR B 582 24.191 -1.900 -0.279 1.00 0.00 C ATOM 0 H THR B 582 21.210 -4.030 1.244 1.00 0.00 H new ATOM 0 HA THR B 582 21.353 -1.528 -0.084 1.00 0.00 H new ATOM 0 HB THR B 582 23.410 -3.600 0.748 1.00 0.00 H new ATOM 0 HG1 THR B 582 22.470 -2.399 2.451 1.00 0.00 H new ATOM 0 HG21 THR B 582 25.149 -1.927 0.241 1.00 0.00 H new ATOM 0 HG22 THR B 582 24.276 -2.435 -1.225 1.00 0.00 H new ATOM 0 HG23 THR B 582 23.912 -0.864 -0.472 1.00 0.00 H new ATOM 978 N GLY B 583 22.162 -4.246 -1.799 1.00 0.00 N ATOM 979 CA GLY B 583 22.352 -4.747 -3.147 1.00 0.00 C ATOM 980 C GLY B 583 21.209 -4.374 -4.071 1.00 0.00 C ATOM 981 O GLY B 583 21.430 -3.992 -5.220 1.00 0.00 O ATOM 0 H GLY B 583 22.210 -4.955 -1.067 1.00 0.00 H new ATOM 0 HA2 GLY B 583 23.285 -4.352 -3.550 1.00 0.00 H new ATOM 0 HA3 GLY B 583 22.452 -5.832 -3.117 1.00 0.00 H new ATOM 985 N MET B 584 19.984 -4.485 -3.568 1.00 0.00 N ATOM 986 CA MET B 584 18.802 -4.157 -4.357 1.00 0.00 C ATOM 987 C MET B 584 18.688 -2.650 -4.564 1.00 0.00 C ATOM 988 O MET B 584 18.558 -2.176 -5.693 1.00 0.00 O ATOM 989 CB MET B 584 17.541 -4.686 -3.671 1.00 0.00 C ATOM 990 CG MET B 584 17.612 -6.165 -3.326 1.00 0.00 C ATOM 991 SD MET B 584 17.128 -6.504 -1.622 1.00 0.00 S ATOM 992 CE MET B 584 15.343 -6.502 -1.771 1.00 0.00 C ATOM 0 H MET B 584 19.784 -4.799 -2.618 1.00 0.00 H new ATOM 0 HA MET B 584 18.903 -4.634 -5.332 1.00 0.00 H new ATOM 0 HB2 MET B 584 17.368 -4.116 -2.758 1.00 0.00 H new ATOM 0 HB3 MET B 584 16.684 -4.514 -4.322 1.00 0.00 H new ATOM 0 HG2 MET B 584 16.964 -6.723 -4.002 1.00 0.00 H new ATOM 0 HG3 MET B 584 18.628 -6.524 -3.489 1.00 0.00 H new ATOM 0 HE1 MET B 584 14.920 -7.241 -1.091 1.00 0.00 H new ATOM 0 HE2 MET B 584 14.958 -5.514 -1.518 1.00 0.00 H new ATOM 0 HE3 MET B 584 15.063 -6.749 -2.795 1.00 0.00 H new ATOM 1002 N LEU B 585 18.738 -1.901 -3.467 1.00 0.00 N ATOM 1003 CA LEU B 585 18.640 -0.447 -3.529 1.00 0.00 C ATOM 1004 C LEU B 585 19.640 0.124 -4.529 1.00 0.00 C ATOM 1005 O LEU B 585 19.270 0.877 -5.431 1.00 0.00 O ATOM 1006 CB LEU B 585 18.883 0.159 -2.145 1.00 0.00 C ATOM 1007 CG LEU B 585 17.635 0.594 -1.375 1.00 0.00 C ATOM 1008 CD1 LEU B 585 16.598 -0.518 -1.367 1.00 0.00 C ATOM 1009 CD2 LEU B 585 18.000 0.996 0.047 1.00 0.00 C ATOM 0 H LEU B 585 18.846 -2.277 -2.525 1.00 0.00 H new ATOM 0 HA LEU B 585 17.634 -0.189 -3.861 1.00 0.00 H new ATOM 0 HB2 LEU B 585 19.423 -0.570 -1.541 1.00 0.00 H new ATOM 0 HB3 LEU B 585 19.536 1.025 -2.259 1.00 0.00 H new ATOM 0 HG LEU B 585 17.204 1.460 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU B 585 15.717 -0.190 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU B 585 16.315 -0.759 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU B 585 17.017 -1.403 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU B 585 17.100 1.303 0.581 1.00 0.00 H new ATOM 0 HD22 LEU B 585 18.455 0.148 0.559 1.00 0.00 H new ATOM 0 HD23 LEU B 585 18.707 1.825 0.021 1.00 0.00 H new ATOM 1021 N LEU B 586 20.907 -0.240 -4.365 1.00 0.00 N ATOM 1022 CA LEU B 586 21.961 0.235 -5.255 1.00 0.00 C ATOM 1023 C LEU B 586 21.753 -0.289 -6.672 1.00 0.00 C ATOM 1024 O LEU B 586 22.212 0.316 -7.640 1.00 0.00 O ATOM 1025 CB LEU B 586 23.331 -0.202 -4.733 1.00 0.00 C ATOM 1026 CG LEU B 586 23.783 -1.608 -5.130 1.00 0.00 C ATOM 1027 CD1 LEU B 586 24.532 -1.573 -6.454 1.00 0.00 C ATOM 1028 CD2 LEU B 586 24.651 -2.217 -4.039 1.00 0.00 C ATOM 0 H LEU B 586 21.230 -0.862 -3.624 1.00 0.00 H new ATOM 0 HA LEU B 586 21.919 1.324 -5.280 1.00 0.00 H new ATOM 0 HB2 LEU B 586 24.076 0.511 -5.086 1.00 0.00 H new ATOM 0 HB3 LEU B 586 23.320 -0.139 -3.645 1.00 0.00 H new ATOM 0 HG LEU B 586 22.898 -2.233 -5.253 1.00 0.00 H new ATOM 0 HD11 LEU B 586 24.846 -2.582 -6.721 1.00 0.00 H new ATOM 0 HD12 LEU B 586 23.878 -1.179 -7.232 1.00 0.00 H new ATOM 0 HD13 LEU B 586 25.409 -0.933 -6.359 1.00 0.00 H new ATOM 0 HD21 LEU B 586 24.963 -3.217 -4.339 1.00 0.00 H new ATOM 0 HD22 LEU B 586 25.531 -1.593 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU B 586 24.081 -2.277 -3.112 1.00 0.00 H new ATOM 1040 N GLU B 587 21.055 -1.415 -6.786 1.00 0.00 N ATOM 1041 CA GLU B 587 20.786 -2.018 -8.085 1.00 0.00 C ATOM 1042 C GLU B 587 19.686 -1.257 -8.821 1.00 0.00 C ATOM 1043 O GLU B 587 19.548 -1.369 -10.039 1.00 0.00 O ATOM 1044 CB GLU B 587 20.382 -3.485 -7.918 1.00 0.00 C ATOM 1045 CG GLU B 587 21.539 -4.456 -8.077 1.00 0.00 C ATOM 1046 CD GLU B 587 21.806 -4.815 -9.526 1.00 0.00 C ATOM 1047 OE1 GLU B 587 21.544 -3.966 -10.404 1.00 0.00 O ATOM 1048 OE2 GLU B 587 22.275 -5.943 -9.782 1.00 0.00 O ATOM 0 H GLU B 587 20.666 -1.927 -5.994 1.00 0.00 H new ATOM 0 HA GLU B 587 21.700 -1.965 -8.677 1.00 0.00 H new ATOM 0 HB2 GLU B 587 19.937 -3.621 -6.932 1.00 0.00 H new ATOM 0 HB3 GLU B 587 19.612 -3.727 -8.651 1.00 0.00 H new ATOM 0 HG2 GLU B 587 22.438 -4.018 -7.644 1.00 0.00 H new ATOM 0 HG3 GLU B 587 21.325 -5.365 -7.515 1.00 0.00 H new ATOM 1055 N ILE B 588 18.906 -0.486 -8.071 1.00 0.00 N ATOM 1056 CA ILE B 588 17.819 0.294 -8.651 1.00 0.00 C ATOM 1057 C ILE B 588 18.302 1.102 -9.851 1.00 0.00 C ATOM 1058 O ILE B 588 17.839 0.902 -10.974 1.00 0.00 O ATOM 1059 CB ILE B 588 17.199 1.252 -7.617 1.00 0.00 C ATOM 1060 CG1 ILE B 588 16.601 0.461 -6.452 1.00 0.00 C ATOM 1061 CG2 ILE B 588 16.139 2.124 -8.272 1.00 0.00 C ATOM 1062 CD1 ILE B 588 16.132 1.333 -5.308 1.00 0.00 C ATOM 0 H ILE B 588 19.006 -0.385 -7.061 1.00 0.00 H new ATOM 0 HA ILE B 588 17.059 -0.417 -8.976 1.00 0.00 H new ATOM 0 HB ILE B 588 17.984 1.900 -7.227 1.00 0.00 H new ATOM 0 HG12 ILE B 588 15.760 -0.129 -6.817 1.00 0.00 H new ATOM 0 HG13 ILE B 588 17.346 -0.242 -6.080 1.00 0.00 H new ATOM 0 HG21 ILE B 588 15.710 2.796 -7.528 1.00 0.00 H new ATOM 0 HG22 ILE B 588 16.593 2.710 -9.071 1.00 0.00 H new ATOM 0 HG23 ILE B 588 15.353 1.492 -8.686 1.00 0.00 H new ATOM 0 HD11 ILE B 588 15.720 0.706 -4.518 1.00 0.00 H new ATOM 0 HD12 ILE B 588 16.974 1.903 -4.916 1.00 0.00 H new ATOM 0 HD13 ILE B 588 15.364 2.019 -5.665 1.00 0.00 H new ATOM 1074 N ASP B 589 19.236 2.014 -9.606 1.00 0.00 N ATOM 1075 CA ASP B 589 19.785 2.851 -10.666 1.00 0.00 C ATOM 1076 C ASP B 589 20.778 3.862 -10.102 1.00 0.00 C ATOM 1077 O ASP B 589 20.464 4.599 -9.168 1.00 0.00 O ATOM 1078 CB ASP B 589 18.660 3.579 -11.404 1.00 0.00 C ATOM 1079 CG ASP B 589 18.552 3.157 -12.856 1.00 0.00 C ATOM 1080 OD1 ASP B 589 19.518 3.386 -13.614 1.00 0.00 O ATOM 1081 OD2 ASP B 589 17.502 2.597 -13.234 1.00 0.00 O ATOM 0 H ASP B 589 19.629 2.193 -8.682 1.00 0.00 H new ATOM 0 HA ASP B 589 20.312 2.205 -11.369 1.00 0.00 H new ATOM 0 HB2 ASP B 589 17.713 3.384 -10.901 1.00 0.00 H new ATOM 0 HB3 ASP B 589 18.832 4.654 -11.353 1.00 0.00 H new ATOM 1086 N ASN B 590 21.977 3.890 -10.675 1.00 0.00 N ATOM 1087 CA ASN B 590 23.016 4.809 -10.227 1.00 0.00 C ATOM 1088 C ASN B 590 22.610 6.257 -10.486 1.00 0.00 C ATOM 1089 O ASN B 590 23.039 7.169 -9.780 1.00 0.00 O ATOM 1090 CB ASN B 590 24.337 4.504 -10.937 1.00 0.00 C ATOM 1091 CG ASN B 590 24.906 3.154 -10.544 1.00 0.00 C ATOM 1092 OD1 ASN B 590 24.170 2.180 -10.387 1.00 0.00 O ATOM 1093 ND2 ASN B 590 26.222 3.092 -10.382 1.00 0.00 N ATOM 0 H ASN B 590 22.253 3.287 -11.450 1.00 0.00 H new ATOM 0 HA ASN B 590 23.148 4.673 -9.154 1.00 0.00 H new ATOM 0 HB2 ASN B 590 24.181 4.530 -12.015 1.00 0.00 H new ATOM 0 HB3 ASN B 590 25.062 5.283 -10.701 1.00 0.00 H new ATOM 0 HD21 ASN B 590 26.662 2.211 -10.117 1.00 0.00 H new ATOM 0 HD22 ASN B 590 26.793 3.925 -10.523 1.00 0.00 H new ATOM 1100 N SER B 591 21.780 6.460 -11.504 1.00 0.00 N ATOM 1101 CA SER B 591 21.318 7.797 -11.859 1.00 0.00 C ATOM 1102 C SER B 591 20.544 8.428 -10.706 1.00 0.00 C ATOM 1103 O SER B 591 20.809 9.565 -10.317 1.00 0.00 O ATOM 1104 CB SER B 591 20.437 7.740 -13.108 1.00 0.00 C ATOM 1105 OG SER B 591 20.324 9.017 -13.712 1.00 0.00 O ATOM 0 H SER B 591 21.414 5.716 -12.098 1.00 0.00 H new ATOM 0 HA SER B 591 22.193 8.413 -12.067 1.00 0.00 H new ATOM 0 HB2 SER B 591 20.859 7.033 -13.822 1.00 0.00 H new ATOM 0 HB3 SER B 591 19.446 7.372 -12.841 1.00 0.00 H new ATOM 0 HG SER B 591 19.757 8.953 -14.509 1.00 0.00 H new ATOM 1111 N GLU B 592 19.588 7.681 -10.164 1.00 0.00 N ATOM 1112 CA GLU B 592 18.775 8.168 -9.055 1.00 0.00 C ATOM 1113 C GLU B 592 19.556 8.119 -7.745 1.00 0.00 C ATOM 1114 O GLU B 592 19.541 9.072 -6.965 1.00 0.00 O ATOM 1115 CB GLU B 592 17.495 7.338 -8.930 1.00 0.00 C ATOM 1116 CG GLU B 592 16.621 7.375 -10.172 1.00 0.00 C ATOM 1117 CD GLU B 592 15.890 8.693 -10.332 1.00 0.00 C ATOM 1118 OE1 GLU B 592 16.001 9.547 -9.427 1.00 0.00 O ATOM 1119 OE2 GLU B 592 15.206 8.872 -11.362 1.00 0.00 O ATOM 0 H GLU B 592 19.357 6.737 -10.474 1.00 0.00 H new ATOM 0 HA GLU B 592 18.509 9.205 -9.260 1.00 0.00 H new ATOM 0 HB2 GLU B 592 17.763 6.303 -8.715 1.00 0.00 H new ATOM 0 HB3 GLU B 592 16.918 7.701 -8.079 1.00 0.00 H new ATOM 0 HG2 GLU B 592 17.239 7.198 -11.052 1.00 0.00 H new ATOM 0 HG3 GLU B 592 15.894 6.564 -10.124 1.00 0.00 H new ATOM 1126 N LEU B 593 20.237 7.003 -7.511 1.00 0.00 N ATOM 1127 CA LEU B 593 21.024 6.829 -6.295 1.00 0.00 C ATOM 1128 C LEU B 593 21.969 8.008 -6.084 1.00 0.00 C ATOM 1129 O LEU B 593 22.082 8.537 -4.978 1.00 0.00 O ATOM 1130 CB LEU B 593 21.823 5.526 -6.364 1.00 0.00 C ATOM 1131 CG LEU B 593 21.004 4.235 -6.348 1.00 0.00 C ATOM 1132 CD1 LEU B 593 21.756 3.118 -7.055 1.00 0.00 C ATOM 1133 CD2 LEU B 593 20.670 3.833 -4.919 1.00 0.00 C ATOM 0 H LEU B 593 20.260 6.206 -8.147 1.00 0.00 H new ATOM 0 HA LEU B 593 20.337 6.783 -5.450 1.00 0.00 H new ATOM 0 HB2 LEU B 593 22.425 5.540 -7.273 1.00 0.00 H new ATOM 0 HB3 LEU B 593 22.516 5.503 -5.523 1.00 0.00 H new ATOM 0 HG LEU B 593 20.071 4.413 -6.882 1.00 0.00 H new ATOM 0 HD11 LEU B 593 21.158 2.207 -7.034 1.00 0.00 H new ATOM 0 HD12 LEU B 593 21.945 3.404 -8.090 1.00 0.00 H new ATOM 0 HD13 LEU B 593 22.705 2.941 -6.549 1.00 0.00 H new ATOM 0 HD21 LEU B 593 20.087 2.912 -4.927 1.00 0.00 H new ATOM 0 HD22 LEU B 593 21.593 3.674 -4.361 1.00 0.00 H new ATOM 0 HD23 LEU B 593 20.091 4.625 -4.444 1.00 0.00 H new ATOM 1145 N LEU B 594 22.645 8.415 -7.153 1.00 0.00 N ATOM 1146 CA LEU B 594 23.579 9.534 -7.086 1.00 0.00 C ATOM 1147 C LEU B 594 22.932 10.745 -6.422 1.00 0.00 C ATOM 1148 O LEU B 594 23.602 11.528 -5.747 1.00 0.00 O ATOM 1149 CB LEU B 594 24.062 9.905 -8.490 1.00 0.00 C ATOM 1150 CG LEU B 594 25.452 9.399 -8.877 1.00 0.00 C ATOM 1151 CD1 LEU B 594 25.793 9.811 -10.300 1.00 0.00 C ATOM 1152 CD2 LEU B 594 26.500 9.921 -7.904 1.00 0.00 C ATOM 0 H LEU B 594 22.564 7.987 -8.076 1.00 0.00 H new ATOM 0 HA LEU B 594 24.434 9.226 -6.483 1.00 0.00 H new ATOM 0 HB2 LEU B 594 23.343 9.520 -9.213 1.00 0.00 H new ATOM 0 HB3 LEU B 594 24.055 10.991 -8.580 1.00 0.00 H new ATOM 0 HG LEU B 594 25.448 8.310 -8.827 1.00 0.00 H new ATOM 0 HD11 LEU B 594 26.786 9.442 -10.558 1.00 0.00 H new ATOM 0 HD12 LEU B 594 25.059 9.389 -10.987 1.00 0.00 H new ATOM 0 HD13 LEU B 594 25.779 10.898 -10.377 1.00 0.00 H new ATOM 0 HD21 LEU B 594 27.483 9.551 -8.195 1.00 0.00 H new ATOM 0 HD22 LEU B 594 26.503 11.011 -7.922 1.00 0.00 H new ATOM 0 HD23 LEU B 594 26.266 9.576 -6.897 1.00 0.00 H new ATOM 1164 N HIS B 595 21.625 10.892 -6.616 1.00 0.00 N ATOM 1165 CA HIS B 595 20.887 12.006 -6.033 1.00 0.00 C ATOM 1166 C HIS B 595 20.308 11.624 -4.674 1.00 0.00 C ATOM 1167 O HIS B 595 20.077 12.482 -3.824 1.00 0.00 O ATOM 1168 CB HIS B 595 19.764 12.448 -6.972 1.00 0.00 C ATOM 1169 CG HIS B 595 19.405 13.896 -6.838 1.00 0.00 C ATOM 1170 ND1 HIS B 595 18.103 14.349 -6.806 1.00 0.00 N ATOM 1171 CD2 HIS B 595 20.187 14.995 -6.724 1.00 0.00 C ATOM 1172 CE1 HIS B 595 18.100 15.665 -6.681 1.00 0.00 C ATOM 1173 NE2 HIS B 595 19.353 16.081 -6.629 1.00 0.00 N ATOM 0 H HIS B 595 21.056 10.254 -7.172 1.00 0.00 H new ATOM 0 HA HIS B 595 21.581 12.835 -5.892 1.00 0.00 H new ATOM 0 HB2 HIS B 595 20.064 12.250 -8.001 1.00 0.00 H new ATOM 0 HB3 HIS B 595 18.879 11.843 -6.776 1.00 0.00 H new ATOM 0 HD2 HIS B 595 21.267 15.014 -6.710 1.00 0.00 H new ATOM 0 HE1 HIS B 595 17.223 16.293 -6.630 1.00 0.00 H new ATOM 0 HE2 HIS B 595 19.652 17.052 -6.534 1.00 0.00 H new ATOM 1181 N MET B 596 20.076 10.330 -4.479 1.00 0.00 N ATOM 1182 CA MET B 596 19.525 9.834 -3.223 1.00 0.00 C ATOM 1183 C MET B 596 20.547 9.952 -2.097 1.00 0.00 C ATOM 1184 O MET B 596 20.185 10.007 -0.920 1.00 0.00 O ATOM 1185 CB MET B 596 19.083 8.377 -3.375 1.00 0.00 C ATOM 1186 CG MET B 596 17.846 8.205 -4.241 1.00 0.00 C ATOM 1187 SD MET B 596 16.777 6.870 -3.667 1.00 0.00 S ATOM 1188 CE MET B 596 17.986 5.595 -3.318 1.00 0.00 C ATOM 0 H MET B 596 20.261 9.607 -5.174 1.00 0.00 H new ATOM 0 HA MET B 596 18.658 10.445 -2.969 1.00 0.00 H new ATOM 0 HB2 MET B 596 19.901 7.801 -3.806 1.00 0.00 H new ATOM 0 HB3 MET B 596 18.886 7.961 -2.387 1.00 0.00 H new ATOM 0 HG2 MET B 596 17.282 9.138 -4.252 1.00 0.00 H new ATOM 0 HG3 MET B 596 18.151 8.005 -5.268 1.00 0.00 H new ATOM 0 HE1 MET B 596 17.646 4.647 -3.736 1.00 0.00 H new ATOM 0 HE2 MET B 596 18.942 5.867 -3.766 1.00 0.00 H new ATOM 0 HE3 MET B 596 18.107 5.493 -2.239 1.00 0.00 H new ATOM 1198 N LEU B 597 21.823 9.990 -2.463 1.00 0.00 N ATOM 1199 CA LEU B 597 22.898 10.102 -1.483 1.00 0.00 C ATOM 1200 C LEU B 597 22.608 11.216 -0.482 1.00 0.00 C ATOM 1201 O LEU B 597 22.828 11.058 0.718 1.00 0.00 O ATOM 1202 CB LEU B 597 24.231 10.366 -2.186 1.00 0.00 C ATOM 1203 CG LEU B 597 24.554 9.460 -3.374 1.00 0.00 C ATOM 1204 CD1 LEU B 597 25.976 9.699 -3.856 1.00 0.00 C ATOM 1205 CD2 LEU B 597 24.354 7.998 -3.000 1.00 0.00 C ATOM 0 H LEU B 597 22.139 9.945 -3.432 1.00 0.00 H new ATOM 0 HA LEU B 597 22.962 9.159 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU B 597 24.239 11.400 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU B 597 25.031 10.269 -1.452 1.00 0.00 H new ATOM 0 HG LEU B 597 23.871 9.703 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU B 597 26.188 9.045 -4.702 1.00 0.00 H new ATOM 0 HD12 LEU B 597 26.086 10.739 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU B 597 26.675 9.485 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU B 597 24.589 7.368 -3.858 1.00 0.00 H new ATOM 0 HD22 LEU B 597 25.013 7.741 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU B 597 23.317 7.837 -2.704 1.00 0.00 H new ATOM 1217 N GLU B 598 22.111 12.342 -0.985 1.00 0.00 N ATOM 1218 CA GLU B 598 21.790 13.482 -0.134 1.00 0.00 C ATOM 1219 C GLU B 598 20.281 13.693 -0.054 1.00 0.00 C ATOM 1220 O GLU B 598 19.812 14.787 0.259 1.00 0.00 O ATOM 1221 CB GLU B 598 22.466 14.748 -0.663 1.00 0.00 C ATOM 1222 CG GLU B 598 21.827 15.296 -1.928 1.00 0.00 C ATOM 1223 CD GLU B 598 22.781 16.149 -2.742 1.00 0.00 C ATOM 1224 OE1 GLU B 598 23.827 15.620 -3.173 1.00 0.00 O ATOM 1225 OE2 GLU B 598 22.482 17.343 -2.948 1.00 0.00 O ATOM 0 H GLU B 598 21.922 12.489 -1.977 1.00 0.00 H new ATOM 0 HA GLU B 598 22.164 13.271 0.868 1.00 0.00 H new ATOM 0 HB2 GLU B 598 22.437 15.515 0.110 1.00 0.00 H new ATOM 0 HB3 GLU B 598 23.516 14.534 -0.860 1.00 0.00 H new ATOM 0 HG2 GLU B 598 21.474 14.467 -2.541 1.00 0.00 H new ATOM 0 HG3 GLU B 598 20.953 15.890 -1.661 1.00 0.00 H new ATOM 1232 N SER B 599 19.526 12.637 -0.340 1.00 0.00 N ATOM 1233 CA SER B 599 18.070 12.707 -0.304 1.00 0.00 C ATOM 1234 C SER B 599 17.507 11.783 0.771 1.00 0.00 C ATOM 1235 O SER B 599 17.131 10.640 0.509 1.00 0.00 O ATOM 1236 CB SER B 599 17.487 12.334 -1.669 1.00 0.00 C ATOM 1237 OG SER B 599 16.409 13.187 -2.014 1.00 0.00 O ATOM 0 H SER B 599 19.898 11.723 -0.599 1.00 0.00 H new ATOM 0 HA SER B 599 17.786 13.731 -0.062 1.00 0.00 H new ATOM 0 HB2 SER B 599 18.265 12.400 -2.430 1.00 0.00 H new ATOM 0 HB3 SER B 599 17.145 11.299 -1.651 1.00 0.00 H new ATOM 0 HG SER B 599 16.055 12.929 -2.891 1.00 0.00 H new ATOM 1243 N PRO B 600 17.448 12.288 2.012 1.00 0.00 N ATOM 1244 CA PRO B 600 16.933 11.526 3.154 1.00 0.00 C ATOM 1245 C PRO B 600 15.427 11.301 3.068 1.00 0.00 C ATOM 1246 O PRO B 600 14.857 10.554 3.862 1.00 0.00 O ATOM 1247 CB PRO B 600 17.274 12.412 4.355 1.00 0.00 C ATOM 1248 CG PRO B 600 17.353 13.791 3.798 1.00 0.00 C ATOM 1249 CD PRO B 600 17.880 13.643 2.397 1.00 0.00 C ATOM 0 HA PRO B 600 17.367 10.528 3.207 1.00 0.00 H new ATOM 0 HB2 PRO B 600 16.510 12.341 5.129 1.00 0.00 H new ATOM 0 HB3 PRO B 600 18.218 12.115 4.811 1.00 0.00 H new ATOM 0 HG2 PRO B 600 16.373 14.268 3.798 1.00 0.00 H new ATOM 0 HG3 PRO B 600 18.013 14.417 4.399 1.00 0.00 H new ATOM 0 HD2 PRO B 600 17.468 14.401 1.730 1.00 0.00 H new ATOM 0 HD3 PRO B 600 18.965 13.744 2.363 1.00 0.00 H new ATOM 1257 N GLU B 601 14.790 11.953 2.100 1.00 0.00 N ATOM 1258 CA GLU B 601 13.350 11.823 1.913 1.00 0.00 C ATOM 1259 C GLU B 601 13.022 10.618 1.035 1.00 0.00 C ATOM 1260 O GLU B 601 11.924 10.066 1.105 1.00 0.00 O ATOM 1261 CB GLU B 601 12.778 13.096 1.285 1.00 0.00 C ATOM 1262 CG GLU B 601 13.227 13.322 -0.149 1.00 0.00 C ATOM 1263 CD GLU B 601 12.831 14.688 -0.675 1.00 0.00 C ATOM 1264 OE1 GLU B 601 13.208 15.698 -0.045 1.00 0.00 O ATOM 1265 OE2 GLU B 601 12.144 14.746 -1.717 1.00 0.00 O ATOM 0 H GLU B 601 15.248 12.576 1.434 1.00 0.00 H new ATOM 0 HA GLU B 601 12.894 11.673 2.892 1.00 0.00 H new ATOM 0 HB2 GLU B 601 11.689 13.047 1.313 1.00 0.00 H new ATOM 0 HB3 GLU B 601 13.074 13.954 1.889 1.00 0.00 H new ATOM 0 HG2 GLU B 601 14.310 13.214 -0.208 1.00 0.00 H new ATOM 0 HG3 GLU B 601 12.794 12.551 -0.787 1.00 0.00 H new ATOM 1272 N SER B 602 13.983 10.216 0.209 1.00 0.00 N ATOM 1273 CA SER B 602 13.795 9.080 -0.686 1.00 0.00 C ATOM 1274 C SER B 602 14.490 7.837 -0.138 1.00 0.00 C ATOM 1275 O SER B 602 13.981 6.722 -0.263 1.00 0.00 O ATOM 1276 CB SER B 602 14.335 9.408 -2.080 1.00 0.00 C ATOM 1277 OG SER B 602 13.563 10.420 -2.701 1.00 0.00 O ATOM 0 H SER B 602 14.899 10.660 0.141 1.00 0.00 H new ATOM 0 HA SER B 602 12.727 8.876 -0.757 1.00 0.00 H new ATOM 0 HB2 SER B 602 15.373 9.733 -2.004 1.00 0.00 H new ATOM 0 HB3 SER B 602 14.327 8.510 -2.697 1.00 0.00 H new ATOM 0 HG SER B 602 13.930 10.612 -3.589 1.00 0.00 H new ATOM 1283 N LEU B 603 15.654 8.037 0.468 1.00 0.00 N ATOM 1284 CA LEU B 603 16.420 6.933 1.036 1.00 0.00 C ATOM 1285 C LEU B 603 15.545 6.070 1.940 1.00 0.00 C ATOM 1286 O LEU B 603 15.338 4.886 1.674 1.00 0.00 O ATOM 1287 CB LEU B 603 17.616 7.469 1.826 1.00 0.00 C ATOM 1288 CG LEU B 603 18.479 6.421 2.530 1.00 0.00 C ATOM 1289 CD1 LEU B 603 19.151 5.512 1.512 1.00 0.00 C ATOM 1290 CD2 LEU B 603 19.519 7.094 3.414 1.00 0.00 C ATOM 0 H LEU B 603 16.089 8.953 0.579 1.00 0.00 H new ATOM 0 HA LEU B 603 16.782 6.315 0.214 1.00 0.00 H new ATOM 0 HB2 LEU B 603 18.251 8.036 1.145 1.00 0.00 H new ATOM 0 HB3 LEU B 603 17.247 8.169 2.575 1.00 0.00 H new ATOM 0 HG LEU B 603 17.833 5.811 3.162 1.00 0.00 H new ATOM 0 HD11 LEU B 603 19.761 4.773 2.031 1.00 0.00 H new ATOM 0 HD12 LEU B 603 18.390 5.004 0.920 1.00 0.00 H new ATOM 0 HD13 LEU B 603 19.784 6.108 0.854 1.00 0.00 H new ATOM 0 HD21 LEU B 603 20.124 6.333 3.907 1.00 0.00 H new ATOM 0 HD22 LEU B 603 20.161 7.728 2.802 1.00 0.00 H new ATOM 0 HD23 LEU B 603 19.018 7.703 4.166 1.00 0.00 H new ATOM 1302 N ARG B 604 15.031 6.673 3.007 1.00 0.00 N ATOM 1303 CA ARG B 604 14.176 5.960 3.949 1.00 0.00 C ATOM 1304 C ARG B 604 13.022 5.275 3.225 1.00 0.00 C ATOM 1305 O ARG B 604 12.557 4.214 3.641 1.00 0.00 O ATOM 1306 CB ARG B 604 13.630 6.923 5.005 1.00 0.00 C ATOM 1307 CG ARG B 604 12.511 7.816 4.494 1.00 0.00 C ATOM 1308 CD ARG B 604 11.145 7.199 4.753 1.00 0.00 C ATOM 1309 NE ARG B 604 10.185 8.183 5.246 1.00 0.00 N ATOM 1310 CZ ARG B 604 10.215 8.687 6.475 1.00 0.00 C ATOM 1311 NH1 ARG B 604 11.152 8.302 7.330 1.00 0.00 N ATOM 1312 NH2 ARG B 604 9.307 9.579 6.850 1.00 0.00 N ATOM 0 H ARG B 604 15.191 7.653 3.241 1.00 0.00 H new ATOM 0 HA ARG B 604 14.778 5.196 4.441 1.00 0.00 H new ATOM 0 HB2 ARG B 604 13.264 6.347 5.855 1.00 0.00 H new ATOM 0 HB3 ARG B 604 14.445 7.548 5.370 1.00 0.00 H new ATOM 0 HG2 ARG B 604 12.570 8.790 4.980 1.00 0.00 H new ATOM 0 HG3 ARG B 604 12.638 7.985 3.425 1.00 0.00 H new ATOM 0 HD2 ARG B 604 10.768 6.754 3.832 1.00 0.00 H new ATOM 0 HD3 ARG B 604 11.243 6.393 5.480 1.00 0.00 H new ATOM 0 HE ARG B 604 9.452 8.501 4.612 1.00 0.00 H new ATOM 0 HH11 ARG B 604 11.852 7.617 7.045 1.00 0.00 H new ATOM 0 HH12 ARG B 604 11.173 8.691 8.273 1.00 0.00 H new ATOM 0 HH21 ARG B 604 8.585 9.878 6.195 1.00 0.00 H new ATOM 0 HH22 ARG B 604 9.331 9.965 7.794 1.00 0.00 H new ATOM 1326 N SER B 605 12.564 5.888 2.138 1.00 0.00 N ATOM 1327 CA SER B 605 11.461 5.340 1.358 1.00 0.00 C ATOM 1328 C SER B 605 11.827 3.974 0.786 1.00 0.00 C ATOM 1329 O SER B 605 11.131 2.984 1.016 1.00 0.00 O ATOM 1330 CB SER B 605 11.085 6.297 0.225 1.00 0.00 C ATOM 1331 OG SER B 605 9.698 6.590 0.244 1.00 0.00 O ATOM 0 H SER B 605 12.940 6.765 1.778 1.00 0.00 H new ATOM 0 HA SER B 605 10.604 5.219 2.021 1.00 0.00 H new ATOM 0 HB2 SER B 605 11.656 7.220 0.320 1.00 0.00 H new ATOM 0 HB3 SER B 605 11.353 5.854 -0.734 1.00 0.00 H new ATOM 0 HG SER B 605 9.483 7.205 -0.489 1.00 0.00 H new ATOM 1337 N LYS B 606 12.924 3.928 0.038 1.00 0.00 N ATOM 1338 CA LYS B 606 13.386 2.685 -0.568 1.00 0.00 C ATOM 1339 C LYS B 606 13.663 1.630 0.498 1.00 0.00 C ATOM 1340 O LYS B 606 13.287 0.467 0.348 1.00 0.00 O ATOM 1341 CB LYS B 606 14.649 2.935 -1.395 1.00 0.00 C ATOM 1342 CG LYS B 606 14.369 3.248 -2.854 1.00 0.00 C ATOM 1343 CD LYS B 606 13.740 4.621 -3.019 1.00 0.00 C ATOM 1344 CE LYS B 606 13.323 4.874 -4.460 1.00 0.00 C ATOM 1345 NZ LYS B 606 14.493 4.892 -5.381 1.00 0.00 N ATOM 0 H LYS B 606 13.510 4.738 -0.163 1.00 0.00 H new ATOM 0 HA LYS B 606 12.598 2.315 -1.224 1.00 0.00 H new ATOM 0 HB2 LYS B 606 15.203 3.764 -0.954 1.00 0.00 H new ATOM 0 HB3 LYS B 606 15.291 2.056 -1.337 1.00 0.00 H new ATOM 0 HG2 LYS B 606 15.298 3.202 -3.422 1.00 0.00 H new ATOM 0 HG3 LYS B 606 13.704 2.490 -3.269 1.00 0.00 H new ATOM 0 HD2 LYS B 606 12.870 4.704 -2.367 1.00 0.00 H new ATOM 0 HD3 LYS B 606 14.449 5.387 -2.704 1.00 0.00 H new ATOM 0 HE2 LYS B 606 12.623 4.100 -4.777 1.00 0.00 H new ATOM 0 HE3 LYS B 606 12.796 5.826 -4.524 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 14.296 5.527 -6.181 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 15.333 5.231 -4.869 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 14.669 3.931 -5.737 1.00 0.00 H new ATOM 1359 N VAL B 607 14.323 2.043 1.576 1.00 0.00 N ATOM 1360 CA VAL B 607 14.648 1.134 2.668 1.00 0.00 C ATOM 1361 C VAL B 607 13.398 0.441 3.197 1.00 0.00 C ATOM 1362 O VAL B 607 13.314 -0.788 3.205 1.00 0.00 O ATOM 1363 CB VAL B 607 15.339 1.876 3.828 1.00 0.00 C ATOM 1364 CG1 VAL B 607 15.646 0.916 4.968 1.00 0.00 C ATOM 1365 CG2 VAL B 607 16.607 2.562 3.341 1.00 0.00 C ATOM 0 H VAL B 607 14.643 3.001 1.716 1.00 0.00 H new ATOM 0 HA VAL B 607 15.331 0.387 2.265 1.00 0.00 H new ATOM 0 HB VAL B 607 14.660 2.642 4.203 1.00 0.00 H new ATOM 0 HG11 VAL B 607 16.134 1.458 5.778 1.00 0.00 H new ATOM 0 HG12 VAL B 607 14.718 0.476 5.333 1.00 0.00 H new ATOM 0 HG13 VAL B 607 16.306 0.126 4.610 1.00 0.00 H new ATOM 0 HG21 VAL B 607 17.082 3.081 4.173 1.00 0.00 H new ATOM 0 HG22 VAL B 607 17.293 1.816 2.939 1.00 0.00 H new ATOM 0 HG23 VAL B 607 16.355 3.281 2.561 1.00 0.00 H new ATOM 1375 N ASP B 608 12.428 1.235 3.636 1.00 0.00 N ATOM 1376 CA ASP B 608 11.180 0.697 4.165 1.00 0.00 C ATOM 1377 C ASP B 608 10.504 -0.212 3.144 1.00 0.00 C ATOM 1378 O ASP B 608 10.019 -1.290 3.485 1.00 0.00 O ATOM 1379 CB ASP B 608 10.236 1.835 4.558 1.00 0.00 C ATOM 1380 CG ASP B 608 9.041 1.347 5.354 1.00 0.00 C ATOM 1381 OD1 ASP B 608 9.209 0.407 6.158 1.00 0.00 O ATOM 1382 OD2 ASP B 608 7.939 1.905 5.172 1.00 0.00 O ATOM 0 H ASP B 608 12.482 2.254 3.636 1.00 0.00 H new ATOM 0 HA ASP B 608 11.414 0.107 5.051 1.00 0.00 H new ATOM 0 HB2 ASP B 608 10.784 2.571 5.146 1.00 0.00 H new ATOM 0 HB3 ASP B 608 9.887 2.341 3.658 1.00 0.00 H new ATOM 1387 N GLU B 609 10.474 0.232 1.891 1.00 0.00 N ATOM 1388 CA GLU B 609 9.856 -0.541 0.822 1.00 0.00 C ATOM 1389 C GLU B 609 10.415 -1.960 0.782 1.00 0.00 C ATOM 1390 O GLU B 609 9.664 -2.935 0.762 1.00 0.00 O ATOM 1391 CB GLU B 609 10.078 0.144 -0.528 1.00 0.00 C ATOM 1392 CG GLU B 609 9.100 1.273 -0.807 1.00 0.00 C ATOM 1393 CD GLU B 609 7.653 0.828 -0.711 1.00 0.00 C ATOM 1394 OE1 GLU B 609 7.314 -0.219 -1.301 1.00 0.00 O ATOM 1395 OE2 GLU B 609 6.861 1.527 -0.045 1.00 0.00 O ATOM 0 H GLU B 609 10.871 1.123 1.592 1.00 0.00 H new ATOM 0 HA GLU B 609 8.786 -0.596 1.022 1.00 0.00 H new ATOM 0 HB2 GLU B 609 11.094 0.538 -0.563 1.00 0.00 H new ATOM 0 HB3 GLU B 609 9.997 -0.600 -1.321 1.00 0.00 H new ATOM 0 HG2 GLU B 609 9.275 2.083 -0.099 1.00 0.00 H new ATOM 0 HG3 GLU B 609 9.288 1.674 -1.803 1.00 0.00 H new ATOM 1402 N ALA B 610 11.740 -2.068 0.772 1.00 0.00 N ATOM 1403 CA ALA B 610 12.401 -3.366 0.736 1.00 0.00 C ATOM 1404 C ALA B 610 12.055 -4.192 1.971 1.00 0.00 C ATOM 1405 O ALA B 610 11.532 -5.301 1.862 1.00 0.00 O ATOM 1406 CB ALA B 610 13.908 -3.188 0.623 1.00 0.00 C ATOM 0 H ALA B 610 12.377 -1.271 0.788 1.00 0.00 H new ATOM 0 HA ALA B 610 12.043 -3.904 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA B 610 14.389 -4.166 0.597 1.00 0.00 H new ATOM 0 HB2 ALA B 610 14.143 -2.644 -0.292 1.00 0.00 H new ATOM 0 HB3 ALA B 610 14.274 -2.627 1.483 1.00 0.00 H new ATOM 1412 N VAL B 611 12.353 -3.645 3.145 1.00 0.00 N ATOM 1413 CA VAL B 611 12.073 -4.331 4.401 1.00 0.00 C ATOM 1414 C VAL B 611 10.631 -4.823 4.449 1.00 0.00 C ATOM 1415 O VAL B 611 10.333 -5.844 5.069 1.00 0.00 O ATOM 1416 CB VAL B 611 12.331 -3.414 5.611 1.00 0.00 C ATOM 1417 CG1 VAL B 611 12.008 -4.139 6.909 1.00 0.00 C ATOM 1418 CG2 VAL B 611 13.770 -2.923 5.610 1.00 0.00 C ATOM 0 H VAL B 611 12.788 -2.729 3.253 1.00 0.00 H new ATOM 0 HA VAL B 611 12.747 -5.186 4.452 1.00 0.00 H new ATOM 0 HB VAL B 611 11.675 -2.547 5.534 1.00 0.00 H new ATOM 0 HG11 VAL B 611 12.196 -3.475 7.753 1.00 0.00 H new ATOM 0 HG12 VAL B 611 10.959 -4.437 6.908 1.00 0.00 H new ATOM 0 HG13 VAL B 611 12.637 -5.025 6.997 1.00 0.00 H new ATOM 0 HG21 VAL B 611 13.934 -2.276 6.472 1.00 0.00 H new ATOM 0 HG22 VAL B 611 14.446 -3.777 5.663 1.00 0.00 H new ATOM 0 HG23 VAL B 611 13.963 -2.363 4.695 1.00 0.00 H new ATOM 1428 N ALA B 612 9.739 -4.091 3.789 1.00 0.00 N ATOM 1429 CA ALA B 612 8.328 -4.455 3.753 1.00 0.00 C ATOM 1430 C ALA B 612 8.086 -5.623 2.803 1.00 0.00 C ATOM 1431 O ALA B 612 7.262 -6.497 3.075 1.00 0.00 O ATOM 1432 CB ALA B 612 7.484 -3.256 3.346 1.00 0.00 C ATOM 0 H ALA B 612 9.969 -3.242 3.272 1.00 0.00 H new ATOM 0 HA ALA B 612 8.033 -4.769 4.754 1.00 0.00 H new ATOM 0 HB1 ALA B 612 6.432 -3.542 3.323 1.00 0.00 H new ATOM 0 HB2 ALA B 612 7.625 -2.450 4.066 1.00 0.00 H new ATOM 0 HB3 ALA B 612 7.789 -2.916 2.356 1.00 0.00 H new ATOM 1438 N VAL B 613 8.807 -5.631 1.687 1.00 0.00 N ATOM 1439 CA VAL B 613 8.671 -6.692 0.696 1.00 0.00 C ATOM 1440 C VAL B 613 8.876 -8.064 1.328 1.00 0.00 C ATOM 1441 O VAL B 613 8.358 -9.069 0.840 1.00 0.00 O ATOM 1442 CB VAL B 613 9.675 -6.515 -0.458 1.00 0.00 C ATOM 1443 CG1 VAL B 613 10.910 -7.373 -0.229 1.00 0.00 C ATOM 1444 CG2 VAL B 613 9.021 -6.852 -1.790 1.00 0.00 C ATOM 0 H VAL B 613 9.492 -4.914 1.446 1.00 0.00 H new ATOM 0 HA VAL B 613 7.658 -6.626 0.299 1.00 0.00 H new ATOM 0 HB VAL B 613 9.988 -5.471 -0.487 1.00 0.00 H new ATOM 0 HG11 VAL B 613 11.608 -7.234 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL B 613 11.390 -7.079 0.704 1.00 0.00 H new ATOM 0 HG13 VAL B 613 10.619 -8.422 -0.172 1.00 0.00 H new ATOM 0 HG21 VAL B 613 9.745 -6.721 -2.594 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.678 -7.886 -1.775 1.00 0.00 H new ATOM 0 HG23 VAL B 613 8.171 -6.190 -1.956 1.00 0.00 H new ATOM 1454 N LEU B 614 9.636 -8.099 2.417 1.00 0.00 N ATOM 1455 CA LEU B 614 9.911 -9.349 3.118 1.00 0.00 C ATOM 1456 C LEU B 614 8.694 -9.804 3.917 1.00 0.00 C ATOM 1457 O LEU B 614 8.354 -10.986 3.928 1.00 0.00 O ATOM 1458 CB LEU B 614 11.113 -9.181 4.049 1.00 0.00 C ATOM 1459 CG LEU B 614 11.473 -10.395 4.906 1.00 0.00 C ATOM 1460 CD1 LEU B 614 10.628 -10.424 6.171 1.00 0.00 C ATOM 1461 CD2 LEU B 614 11.293 -11.681 4.113 1.00 0.00 C ATOM 0 H LEU B 614 10.073 -7.277 2.834 1.00 0.00 H new ATOM 0 HA LEU B 614 10.140 -10.112 2.374 1.00 0.00 H new ATOM 0 HB2 LEU B 614 11.981 -8.918 3.445 1.00 0.00 H new ATOM 0 HB3 LEU B 614 10.919 -8.338 4.712 1.00 0.00 H new ATOM 0 HG LEU B 614 12.521 -10.314 5.195 1.00 0.00 H new ATOM 0 HD11 LEU B 614 10.898 -11.295 6.769 1.00 0.00 H new ATOM 0 HD12 LEU B 614 10.807 -9.517 6.749 1.00 0.00 H new ATOM 0 HD13 LEU B 614 9.573 -10.481 5.903 1.00 0.00 H new ATOM 0 HD21 LEU B 614 11.554 -12.534 4.739 1.00 0.00 H new ATOM 0 HD22 LEU B 614 10.255 -11.769 3.794 1.00 0.00 H new ATOM 0 HD23 LEU B 614 11.941 -11.662 3.237 1.00 0.00 H new ATOM 1473 N GLN B 615 8.042 -8.856 4.584 1.00 0.00 N ATOM 1474 CA GLN B 615 6.862 -9.160 5.384 1.00 0.00 C ATOM 1475 C GLN B 615 5.802 -9.865 4.545 1.00 0.00 C ATOM 1476 O GLN B 615 5.010 -10.653 5.062 1.00 0.00 O ATOM 1477 CB GLN B 615 6.284 -7.878 5.986 1.00 0.00 C ATOM 1478 CG GLN B 615 7.305 -7.050 6.750 1.00 0.00 C ATOM 1479 CD GLN B 615 7.048 -7.038 8.243 1.00 0.00 C ATOM 1480 OE1 GLN B 615 6.361 -7.912 8.774 1.00 0.00 O ATOM 1481 NE2 GLN B 615 7.599 -6.046 8.932 1.00 0.00 N ATOM 0 H GLN B 615 8.311 -7.872 4.586 1.00 0.00 H new ATOM 0 HA GLN B 615 7.163 -9.828 6.191 1.00 0.00 H new ATOM 0 HB2 GLN B 615 5.861 -7.270 5.187 1.00 0.00 H new ATOM 0 HB3 GLN B 615 5.465 -8.138 6.656 1.00 0.00 H new ATOM 0 HG2 GLN B 615 8.303 -7.446 6.560 1.00 0.00 H new ATOM 0 HG3 GLN B 615 7.291 -6.027 6.375 1.00 0.00 H new ATOM 0 HE21 GLN B 615 8.161 -5.343 8.453 1.00 0.00 H new ATOM 0 HE22 GLN B 615 7.460 -5.987 9.941 1.00 0.00 H new ATOM 1490 N ALA B 616 5.792 -9.576 3.248 1.00 0.00 N ATOM 1491 CA ALA B 616 4.830 -10.183 2.337 1.00 0.00 C ATOM 1492 C ALA B 616 5.134 -11.663 2.124 1.00 0.00 C ATOM 1493 O ALA B 616 4.247 -12.446 1.783 1.00 0.00 O ATOM 1494 CB ALA B 616 4.826 -9.447 1.006 1.00 0.00 C ATOM 0 H ALA B 616 6.440 -8.925 2.804 1.00 0.00 H new ATOM 0 HA ALA B 616 3.840 -10.103 2.787 1.00 0.00 H new ATOM 0 HB1 ALA B 616 4.103 -9.911 0.336 1.00 0.00 H new ATOM 0 HB2 ALA B 616 4.553 -8.404 1.168 1.00 0.00 H new ATOM 0 HB3 ALA B 616 5.819 -9.497 0.559 1.00 0.00 H new