USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 662 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: A 671 HIS : no HD1:sc= -0.124 K(o=-0.061,f=-0.66) USER MOD Set 1.2: B 674 HIS : no HD1:sc= 0.0637 X(o=-0.061,f=-0.19) USER MOD Single : A 637 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 640 THR OG1 : rot 180:sc= 0 USER MOD Single : A 641 HIS : no HD1:sc= -0.477 K(o=-0.48,f=-1.6) USER MOD Single : A 643 THR OG1 : rot 86:sc= 0.349 USER MOD Single : A 644 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 647 THR OG1 : rot 69:sc= 0.537 USER MOD Single : A 657 MET CE :methyl -110:sc= -0.325 (180deg=-3.99!) USER MOD Single : A 658 MET CE :methyl -148:sc= -1.65 (180deg=-3.32!) USER MOD Single : A 662 THR OG1 : rot 80:sc= 1.17 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.00098) USER MOD Single : A 673 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 674 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.015) USER MOD Single : A 675 HIS : no HD1:sc= -0.37 X(o=-0.37,f=-0.034) USER MOD Single : A 676 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 637 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 640 THR OG1 : rot 180:sc= 0 USER MOD Single : B 641 HIS : no HD1:sc= -0.357 K(o=-0.36,f=-1.6) USER MOD Single : B 643 THR OG1 : rot 88:sc= 0.356 USER MOD Single : B 644 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 647 THR OG1 : rot 69:sc= 0.471 USER MOD Single : B 657 MET CE :methyl -107:sc= -0.312 (180deg=-3.99!) USER MOD Single : B 658 MET CE :methyl -147:sc= -1.66 (180deg=-3.27!) USER MOD Single : B 662 THR OG1 : rot 81:sc= 1.13 USER MOD Single : B 665 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HE2:sc= 0.46 K(o=0.46,f=-4.1!) USER MOD Single : B 672 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=-0.013) USER MOD Single : B 673 HIS : no HD1:sc= -0.333 X(o=-0.33,f=-0.0044) USER MOD Single : B 675 HIS : no HE2:sc= -0.24 K(o=-0.24,f=-1.7!) USER MOD Single : B 676 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 637 3.205 30.572 9.642 1.00 2.24 N ATOM 2 CA MET A 637 2.341 29.759 10.491 1.00 31.32 C ATOM 3 C MET A 637 3.166 28.826 11.372 1.00 64.21 C ATOM 4 O MET A 637 2.793 28.539 12.508 1.00 40.23 O ATOM 5 CB MET A 637 1.369 28.944 9.635 1.00 24.22 C ATOM 6 CG MET A 637 0.510 27.983 10.440 1.00 4.52 C ATOM 7 SD MET A 637 -0.946 27.426 9.531 1.00 34.54 S ATOM 8 CE MET A 637 -1.385 25.960 10.461 1.00 74.03 C ATOM 0 HA MET A 637 1.772 30.430 11.135 1.00 31.32 H new ATOM 0 HB2 MET A 637 0.720 29.627 9.087 1.00 24.22 H new ATOM 0 HB3 MET A 637 1.935 28.379 8.894 1.00 24.22 H new ATOM 0 HG2 MET A 637 1.109 27.118 10.725 1.00 4.52 H new ATOM 0 HG3 MET A 637 0.194 28.470 11.363 1.00 4.52 H new ATOM 0 HE1 MET A 637 -2.270 25.501 10.020 1.00 74.03 H new ATOM 0 HE2 MET A 637 -0.557 25.251 10.435 1.00 74.03 H new ATOM 0 HE3 MET A 637 -1.595 26.234 11.495 1.00 74.03 H new ATOM 18 N GLY A 638 4.289 28.356 10.838 1.00 61.23 N ATOM 19 CA GLY A 638 5.149 27.460 11.589 1.00 54.04 C ATOM 20 C GLY A 638 5.939 26.527 10.694 1.00 24.41 C ATOM 21 O GLY A 638 7.138 26.328 10.895 1.00 13.32 O ATOM 0 H GLY A 638 4.619 28.580 9.899 1.00 61.23 H new ATOM 0 HA2 GLY A 638 5.839 28.047 12.195 1.00 54.04 H new ATOM 0 HA3 GLY A 638 4.542 26.871 12.277 1.00 54.04 H new ATOM 25 N ARG A 639 5.268 25.953 9.701 1.00 1.43 N ATOM 26 CA ARG A 639 5.914 25.034 8.772 1.00 73.35 C ATOM 27 C ARG A 639 6.444 23.804 9.504 1.00 51.44 C ATOM 28 O ARG A 639 7.256 23.049 8.968 1.00 1.52 O ATOM 29 CB ARG A 639 7.059 25.736 8.040 1.00 61.01 C ATOM 30 CG ARG A 639 6.642 26.366 6.721 1.00 71.22 C ATOM 31 CD ARG A 639 6.173 27.800 6.912 1.00 54.23 C ATOM 32 NE ARG A 639 5.787 28.423 5.650 1.00 44.30 N ATOM 33 CZ ARG A 639 5.433 29.698 5.537 1.00 63.34 C ATOM 34 NH1 ARG A 639 5.419 30.482 6.606 1.00 21.40 N ATOM 35 NH2 ARG A 639 5.094 30.191 4.353 1.00 31.35 N ATOM 0 H ARG A 639 4.276 26.108 9.519 1.00 1.43 H new ATOM 0 HA ARG A 639 5.170 24.711 8.044 1.00 73.35 H new ATOM 0 HB2 ARG A 639 7.473 26.509 8.687 1.00 61.01 H new ATOM 0 HB3 ARG A 639 7.856 25.016 7.853 1.00 61.01 H new ATOM 0 HG2 ARG A 639 7.481 26.346 6.026 1.00 71.22 H new ATOM 0 HG3 ARG A 639 5.842 25.777 6.272 1.00 71.22 H new ATOM 0 HD2 ARG A 639 5.326 27.816 7.598 1.00 54.23 H new ATOM 0 HD3 ARG A 639 6.969 28.383 7.375 1.00 54.23 H new ATOM 0 HE ARG A 639 5.789 27.847 4.808 1.00 44.30 H new ATOM 0 HH11 ARG A 639 5.680 30.106 7.517 1.00 21.40 H new ATOM 0 HH12 ARG A 639 5.147 31.461 6.517 1.00 21.40 H new ATOM 0 HH21 ARG A 639 5.105 29.591 3.528 1.00 31.35 H new ATOM 0 HH22 ARG A 639 4.822 31.170 4.267 1.00 31.35 H new ATOM 49 N THR A 640 5.978 23.607 10.734 1.00 34.44 N ATOM 50 CA THR A 640 6.406 22.472 11.542 1.00 43.42 C ATOM 51 C THR A 640 5.463 21.287 11.365 1.00 32.33 C ATOM 52 O THR A 640 5.888 20.132 11.399 1.00 40.24 O ATOM 53 CB THR A 640 6.477 22.839 13.035 1.00 73.24 C ATOM 54 OG1 THR A 640 7.412 23.904 13.234 1.00 33.33 O ATOM 55 CG2 THR A 640 6.888 21.635 13.869 1.00 34.25 C ATOM 0 H THR A 640 5.303 24.220 11.192 1.00 34.44 H new ATOM 0 HA THR A 640 7.402 22.196 11.197 1.00 43.42 H new ATOM 0 HB THR A 640 5.486 23.162 13.354 1.00 73.24 H new ATOM 0 HG1 THR A 640 7.450 24.132 14.186 1.00 33.33 H new ATOM 0 HG21 THR A 640 6.931 21.919 14.921 1.00 34.25 H new ATOM 0 HG22 THR A 640 6.158 20.836 13.738 1.00 34.25 H new ATOM 0 HG23 THR A 640 7.869 21.287 13.546 1.00 34.25 H new ATOM 63 N HIS A 641 4.180 21.581 11.177 1.00 43.24 N ATOM 64 CA HIS A 641 3.176 20.538 10.994 1.00 24.12 C ATOM 65 C HIS A 641 3.438 19.751 9.713 1.00 51.11 C ATOM 66 O HIS A 641 2.858 18.687 9.497 1.00 52.43 O ATOM 67 CB HIS A 641 1.776 21.151 10.953 1.00 62.05 C ATOM 68 CG HIS A 641 1.486 21.897 9.686 1.00 53.41 C ATOM 69 ND1 HIS A 641 2.426 22.664 9.033 1.00 33.51 N ATOM 70 CD2 HIS A 641 0.351 21.988 8.954 1.00 32.43 C ATOM 71 CE1 HIS A 641 1.882 23.197 7.954 1.00 65.51 C ATOM 72 NE2 HIS A 641 0.624 22.802 7.881 1.00 14.22 N ATOM 0 H HIS A 641 3.811 22.532 11.147 1.00 43.24 H new ATOM 0 HA HIS A 641 3.240 19.853 11.840 1.00 24.12 H new ATOM 0 HB2 HIS A 641 1.038 20.359 11.076 1.00 62.05 H new ATOM 0 HB3 HIS A 641 1.660 21.829 11.799 1.00 62.05 H new ATOM 0 HD2 HIS A 641 -0.593 21.510 9.172 1.00 32.43 H new ATOM 0 HE1 HIS A 641 2.382 23.846 7.250 1.00 65.51 H new ATOM 0 HE2 HIS A 641 -0.037 23.059 7.148 1.00 14.22 H new ATOM 80 N LEU A 642 4.314 20.281 8.867 1.00 3.24 N ATOM 81 CA LEU A 642 4.651 19.629 7.606 1.00 72.21 C ATOM 82 C LEU A 642 5.470 18.366 7.850 1.00 50.42 C ATOM 83 O LEU A 642 5.370 17.393 7.101 1.00 14.34 O ATOM 84 CB LEU A 642 5.429 20.588 6.705 1.00 23.52 C ATOM 85 CG LEU A 642 4.590 21.575 5.891 1.00 55.14 C ATOM 86 CD1 LEU A 642 5.401 22.818 5.560 1.00 3.14 C ATOM 87 CD2 LEU A 642 4.077 20.915 4.619 1.00 32.04 C ATOM 0 H LEU A 642 4.804 21.160 9.031 1.00 3.24 H new ATOM 0 HA LEU A 642 3.722 19.349 7.110 1.00 72.21 H new ATOM 0 HB2 LEU A 642 6.122 21.156 7.326 1.00 23.52 H new ATOM 0 HB3 LEU A 642 6.031 19.998 6.014 1.00 23.52 H new ATOM 0 HG LEU A 642 3.732 21.876 6.492 1.00 55.14 H new ATOM 0 HD11 LEU A 642 4.788 23.509 4.981 1.00 3.14 H new ATOM 0 HD12 LEU A 642 5.719 23.302 6.484 1.00 3.14 H new ATOM 0 HD13 LEU A 642 6.278 22.536 4.978 1.00 3.14 H new ATOM 0 HD21 LEU A 642 3.482 21.631 4.052 1.00 32.04 H new ATOM 0 HD22 LEU A 642 4.922 20.585 4.014 1.00 32.04 H new ATOM 0 HD23 LEU A 642 3.459 20.055 4.879 1.00 32.04 H new ATOM 99 N THR A 643 6.280 18.385 8.904 1.00 12.13 N ATOM 100 CA THR A 643 7.116 17.241 9.248 1.00 0.44 C ATOM 101 C THR A 643 6.268 16.006 9.530 1.00 4.04 C ATOM 102 O THR A 643 6.474 14.951 8.931 1.00 0.51 O ATOM 103 CB THR A 643 7.995 17.538 10.477 1.00 14.30 C ATOM 104 OG1 THR A 643 8.456 18.892 10.435 1.00 30.11 O ATOM 105 CG2 THR A 643 9.186 16.592 10.530 1.00 34.42 C ATOM 0 H THR A 643 6.375 19.181 9.535 1.00 12.13 H new ATOM 0 HA THR A 643 7.759 17.049 8.389 1.00 0.44 H new ATOM 0 HB THR A 643 7.392 17.389 11.373 1.00 14.30 H new ATOM 0 HG1 THR A 643 7.785 19.479 10.843 1.00 30.11 H new ATOM 0 HG21 THR A 643 9.793 16.820 11.406 1.00 34.42 H new ATOM 0 HG22 THR A 643 8.831 15.563 10.592 1.00 34.42 H new ATOM 0 HG23 THR A 643 9.788 16.714 9.630 1.00 34.42 H new ATOM 113 N MET A 644 5.313 16.145 10.445 1.00 11.11 N ATOM 114 CA MET A 644 4.433 15.040 10.804 1.00 2.33 C ATOM 115 C MET A 644 3.579 14.616 9.614 1.00 51.35 C ATOM 116 O MET A 644 3.490 13.431 9.292 1.00 10.44 O ATOM 117 CB MET A 644 3.533 15.437 11.976 1.00 53.04 C ATOM 118 CG MET A 644 4.289 15.639 13.280 1.00 12.42 C ATOM 119 SD MET A 644 3.190 15.901 14.685 1.00 11.24 S ATOM 120 CE MET A 644 2.714 17.609 14.429 1.00 51.50 C ATOM 0 H MET A 644 5.130 17.012 10.950 1.00 11.11 H new ATOM 0 HA MET A 644 5.055 14.196 11.102 1.00 2.33 H new ATOM 0 HB2 MET A 644 3.007 16.358 11.724 1.00 53.04 H new ATOM 0 HB3 MET A 644 2.776 14.666 12.120 1.00 53.04 H new ATOM 0 HG2 MET A 644 4.916 14.768 13.471 1.00 12.42 H new ATOM 0 HG3 MET A 644 4.956 16.496 13.180 1.00 12.42 H new ATOM 0 HE1 MET A 644 2.032 17.919 15.221 1.00 51.50 H new ATOM 0 HE2 MET A 644 3.602 18.241 14.447 1.00 51.50 H new ATOM 0 HE3 MET A 644 2.218 17.708 13.464 1.00 51.50 H new ATOM 130 N ALA A 645 2.953 15.591 8.963 1.00 2.34 N ATOM 131 CA ALA A 645 2.107 15.318 7.807 1.00 1.15 C ATOM 132 C ALA A 645 2.894 14.616 6.705 1.00 21.13 C ATOM 133 O ALA A 645 2.395 13.689 6.066 1.00 2.43 O ATOM 134 CB ALA A 645 1.498 16.610 7.282 1.00 14.34 C ATOM 0 H ALA A 645 3.016 16.577 9.216 1.00 2.34 H new ATOM 0 HA ALA A 645 1.304 14.653 8.124 1.00 1.15 H new ATOM 0 HB1 ALA A 645 0.869 16.391 6.419 1.00 14.34 H new ATOM 0 HB2 ALA A 645 0.894 17.072 8.063 1.00 14.34 H new ATOM 0 HB3 ALA A 645 2.294 17.294 6.987 1.00 14.34 H new ATOM 140 N LEU A 646 4.125 15.065 6.486 1.00 52.31 N ATOM 141 CA LEU A 646 4.981 14.481 5.460 1.00 52.42 C ATOM 142 C LEU A 646 5.257 13.009 5.755 1.00 20.14 C ATOM 143 O LEU A 646 5.206 12.165 4.860 1.00 40.34 O ATOM 144 CB LEU A 646 6.300 15.250 5.369 1.00 12.34 C ATOM 145 CG LEU A 646 6.292 16.490 4.474 1.00 63.03 C ATOM 146 CD1 LEU A 646 7.318 17.503 4.956 1.00 33.04 C ATOM 147 CD2 LEU A 646 6.562 16.103 3.026 1.00 75.20 C ATOM 0 H LEU A 646 4.553 15.832 7.005 1.00 52.31 H new ATOM 0 HA LEU A 646 4.461 14.551 4.505 1.00 52.42 H new ATOM 0 HB2 LEU A 646 6.591 15.554 6.375 1.00 12.34 H new ATOM 0 HB3 LEU A 646 7.070 14.569 5.006 1.00 12.34 H new ATOM 0 HG LEU A 646 5.305 16.949 4.530 1.00 63.03 H new ATOM 0 HD11 LEU A 646 7.298 18.378 4.307 1.00 33.04 H new ATOM 0 HD12 LEU A 646 7.082 17.803 5.977 1.00 33.04 H new ATOM 0 HD13 LEU A 646 8.311 17.055 4.930 1.00 33.04 H new ATOM 0 HD21 LEU A 646 6.553 16.997 2.403 1.00 75.20 H new ATOM 0 HD22 LEU A 646 7.537 15.620 2.954 1.00 75.20 H new ATOM 0 HD23 LEU A 646 5.790 15.414 2.684 1.00 75.20 H new ATOM 159 N THR A 647 5.548 12.708 7.016 1.00 34.41 N ATOM 160 CA THR A 647 5.831 11.340 7.430 1.00 60.55 C ATOM 161 C THR A 647 4.642 10.426 7.161 1.00 2.52 C ATOM 162 O THR A 647 4.801 9.308 6.669 1.00 33.34 O ATOM 163 CB THR A 647 6.191 11.267 8.926 1.00 3.04 C ATOM 164 OG1 THR A 647 7.318 12.107 9.200 1.00 35.40 O ATOM 165 CG2 THR A 647 6.505 9.837 9.339 1.00 24.22 C ATOM 0 H THR A 647 5.594 13.394 7.769 1.00 34.41 H new ATOM 0 HA THR A 647 6.685 11.004 6.842 1.00 60.55 H new ATOM 0 HB THR A 647 5.332 11.613 9.501 1.00 3.04 H new ATOM 0 HG1 THR A 647 7.058 13.046 9.098 1.00 35.40 H new ATOM 0 HG21 THR A 647 6.756 9.811 10.399 1.00 24.22 H new ATOM 0 HG22 THR A 647 5.635 9.206 9.157 1.00 24.22 H new ATOM 0 HG23 THR A 647 7.349 9.467 8.757 1.00 24.22 H new ATOM 173 N VAL A 648 3.445 10.909 7.485 1.00 24.54 N ATOM 174 CA VAL A 648 2.227 10.137 7.275 1.00 14.30 C ATOM 175 C VAL A 648 2.022 9.821 5.798 1.00 72.43 C ATOM 176 O VAL A 648 1.823 8.666 5.422 1.00 23.24 O ATOM 177 CB VAL A 648 0.990 10.886 7.805 1.00 3.32 C ATOM 178 CG1 VAL A 648 -0.279 10.104 7.500 1.00 53.50 C ATOM 179 CG2 VAL A 648 1.121 11.142 9.299 1.00 61.42 C ATOM 0 H VAL A 648 3.294 11.831 7.894 1.00 24.54 H new ATOM 0 HA VAL A 648 2.344 9.205 7.829 1.00 14.30 H new ATOM 0 HB VAL A 648 0.926 11.849 7.299 1.00 3.32 H new ATOM 0 HG11 VAL A 648 -1.143 10.649 7.882 1.00 53.50 H new ATOM 0 HG12 VAL A 648 -0.378 9.977 6.422 1.00 53.50 H new ATOM 0 HG13 VAL A 648 -0.227 9.125 7.977 1.00 53.50 H new ATOM 0 HG21 VAL A 648 0.238 11.672 9.656 1.00 61.42 H new ATOM 0 HG22 VAL A 648 1.211 10.191 9.825 1.00 61.42 H new ATOM 0 HG23 VAL A 648 2.008 11.746 9.488 1.00 61.42 H new ATOM 189 N ILE A 649 2.075 10.855 4.966 1.00 65.51 N ATOM 190 CA ILE A 649 1.897 10.689 3.528 1.00 41.43 C ATOM 191 C ILE A 649 2.945 9.743 2.951 1.00 74.21 C ATOM 192 O ILE A 649 2.625 8.845 2.174 1.00 23.01 O ATOM 193 CB ILE A 649 1.977 12.038 2.791 1.00 43.31 C ATOM 194 CG1 ILE A 649 0.876 12.980 3.284 1.00 75.43 C ATOM 195 CG2 ILE A 649 1.867 11.827 1.288 1.00 24.34 C ATOM 196 CD1 ILE A 649 0.892 14.333 2.609 1.00 74.11 C ATOM 0 H ILE A 649 2.240 11.817 5.262 1.00 65.51 H new ATOM 0 HA ILE A 649 0.905 10.263 3.380 1.00 41.43 H new ATOM 0 HB ILE A 649 2.943 12.496 3.005 1.00 43.31 H new ATOM 0 HG12 ILE A 649 -0.094 12.511 3.117 1.00 75.43 H new ATOM 0 HG13 ILE A 649 0.982 13.118 4.360 1.00 75.43 H new ATOM 0 HG21 ILE A 649 1.925 12.790 0.780 1.00 24.34 H new ATOM 0 HG22 ILE A 649 2.683 11.188 0.950 1.00 24.34 H new ATOM 0 HG23 ILE A 649 0.914 11.352 1.056 1.00 24.34 H new ATOM 0 HD11 ILE A 649 0.085 14.948 3.007 1.00 74.11 H new ATOM 0 HD12 ILE A 649 1.848 14.822 2.797 1.00 74.11 H new ATOM 0 HD13 ILE A 649 0.755 14.206 1.535 1.00 74.11 H new ATOM 208 N ALA A 650 4.200 9.951 3.339 1.00 3.55 N ATOM 209 CA ALA A 650 5.294 9.116 2.863 1.00 72.22 C ATOM 210 C ALA A 650 5.123 7.672 3.323 1.00 63.32 C ATOM 211 O ALA A 650 5.394 6.735 2.572 1.00 14.33 O ATOM 212 CB ALA A 650 6.628 9.669 3.344 1.00 62.33 C ATOM 0 H ALA A 650 4.483 10.691 3.982 1.00 3.55 H new ATOM 0 HA ALA A 650 5.279 9.128 1.773 1.00 72.22 H new ATOM 0 HB1 ALA A 650 7.437 9.035 2.981 1.00 62.33 H new ATOM 0 HB2 ALA A 650 6.761 10.681 2.962 1.00 62.33 H new ATOM 0 HB3 ALA A 650 6.643 9.687 4.434 1.00 62.33 H new ATOM 218 N GLY A 651 4.673 7.500 4.563 1.00 64.05 N ATOM 219 CA GLY A 651 4.475 6.167 5.100 1.00 41.43 C ATOM 220 C GLY A 651 3.480 5.357 4.292 1.00 64.13 C ATOM 221 O GLY A 651 3.764 4.224 3.898 1.00 34.22 O ATOM 0 H GLY A 651 4.443 8.259 5.204 1.00 64.05 H new ATOM 0 HA2 GLY A 651 5.430 5.643 5.124 1.00 41.43 H new ATOM 0 HA3 GLY A 651 4.126 6.242 6.130 1.00 41.43 H new ATOM 225 N LEU A 652 2.312 5.936 4.044 1.00 4.55 N ATOM 226 CA LEU A 652 1.270 5.260 3.277 1.00 15.33 C ATOM 227 C LEU A 652 1.766 4.903 1.881 1.00 61.15 C ATOM 228 O LEU A 652 1.554 3.789 1.401 1.00 53.02 O ATOM 229 CB LEU A 652 0.027 6.146 3.178 1.00 1.25 C ATOM 230 CG LEU A 652 -0.555 6.640 4.503 1.00 74.14 C ATOM 231 CD1 LEU A 652 -1.555 7.760 4.264 1.00 73.20 C ATOM 232 CD2 LEU A 652 -1.208 5.492 5.260 1.00 51.11 C ATOM 0 H LEU A 652 2.061 6.872 4.362 1.00 4.55 H new ATOM 0 HA LEU A 652 1.011 4.338 3.797 1.00 15.33 H new ATOM 0 HB2 LEU A 652 0.272 7.014 2.566 1.00 1.25 H new ATOM 0 HB3 LEU A 652 -0.748 5.592 2.648 1.00 1.25 H new ATOM 0 HG LEU A 652 0.260 7.033 5.111 1.00 74.14 H new ATOM 0 HD11 LEU A 652 -1.958 8.098 5.219 1.00 73.20 H new ATOM 0 HD12 LEU A 652 -1.057 8.592 3.765 1.00 73.20 H new ATOM 0 HD13 LEU A 652 -2.368 7.394 3.636 1.00 73.20 H new ATOM 0 HD21 LEU A 652 -1.617 5.862 6.200 1.00 51.11 H new ATOM 0 HD22 LEU A 652 -2.011 5.069 4.657 1.00 51.11 H new ATOM 0 HD23 LEU A 652 -0.464 4.722 5.466 1.00 51.11 H new ATOM 244 N VAL A 653 2.431 5.854 1.233 1.00 10.22 N ATOM 245 CA VAL A 653 2.962 5.638 -0.108 1.00 24.42 C ATOM 246 C VAL A 653 3.944 4.474 -0.129 1.00 42.14 C ATOM 247 O VAL A 653 3.803 3.543 -0.923 1.00 53.22 O ATOM 248 CB VAL A 653 3.666 6.900 -0.643 1.00 35.11 C ATOM 249 CG1 VAL A 653 4.397 6.594 -1.940 1.00 51.05 C ATOM 250 CG2 VAL A 653 2.663 8.027 -0.839 1.00 62.41 C ATOM 0 H VAL A 653 2.615 6.782 1.615 1.00 10.22 H new ATOM 0 HA VAL A 653 2.113 5.405 -0.751 1.00 24.42 H new ATOM 0 HB VAL A 653 4.402 7.224 0.093 1.00 35.11 H new ATOM 0 HG11 VAL A 653 4.888 7.497 -2.303 1.00 51.05 H new ATOM 0 HG12 VAL A 653 5.145 5.821 -1.763 1.00 51.05 H new ATOM 0 HG13 VAL A 653 3.683 6.244 -2.686 1.00 51.05 H new ATOM 0 HG21 VAL A 653 3.178 8.910 -1.217 1.00 62.41 H new ATOM 0 HG22 VAL A 653 1.902 7.716 -1.555 1.00 62.41 H new ATOM 0 HG23 VAL A 653 2.190 8.263 0.114 1.00 62.41 H new ATOM 260 N VAL A 654 4.941 4.531 0.748 1.00 62.01 N ATOM 261 CA VAL A 654 5.948 3.479 0.832 1.00 23.22 C ATOM 262 C VAL A 654 5.301 2.116 1.043 1.00 42.23 C ATOM 263 O VAL A 654 5.809 1.098 0.572 1.00 44.33 O ATOM 264 CB VAL A 654 6.944 3.747 1.975 1.00 51.02 C ATOM 265 CG1 VAL A 654 7.960 2.618 2.072 1.00 73.43 C ATOM 266 CG2 VAL A 654 7.640 5.085 1.775 1.00 13.34 C ATOM 0 H VAL A 654 5.073 5.295 1.411 1.00 62.01 H new ATOM 0 HA VAL A 654 6.487 3.478 -0.116 1.00 23.22 H new ATOM 0 HB VAL A 654 6.390 3.789 2.913 1.00 51.02 H new ATOM 0 HG11 VAL A 654 8.656 2.824 2.885 1.00 73.43 H new ATOM 0 HG12 VAL A 654 7.443 1.679 2.266 1.00 73.43 H new ATOM 0 HG13 VAL A 654 8.510 2.542 1.134 1.00 73.43 H new ATOM 0 HG21 VAL A 654 8.340 5.257 2.593 1.00 13.34 H new ATOM 0 HG22 VAL A 654 8.182 5.075 0.829 1.00 13.34 H new ATOM 0 HG23 VAL A 654 6.897 5.883 1.759 1.00 13.34 H new ATOM 276 N ILE A 655 4.179 2.103 1.754 1.00 52.33 N ATOM 277 CA ILE A 655 3.463 0.863 2.028 1.00 5.23 C ATOM 278 C ILE A 655 2.883 0.270 0.747 1.00 74.22 C ATOM 279 O ILE A 655 3.111 -0.899 0.434 1.00 45.11 O ATOM 280 CB ILE A 655 2.322 1.084 3.039 1.00 63.54 C ATOM 281 CG1 ILE A 655 2.892 1.442 4.412 1.00 34.34 C ATOM 282 CG2 ILE A 655 1.448 -0.158 3.130 1.00 51.54 C ATOM 283 CD1 ILE A 655 1.971 2.309 5.241 1.00 14.25 C ATOM 0 H ILE A 655 3.746 2.937 2.151 1.00 52.33 H new ATOM 0 HA ILE A 655 4.186 0.168 2.454 1.00 5.23 H new ATOM 0 HB ILE A 655 1.705 1.914 2.694 1.00 63.54 H new ATOM 0 HG12 ILE A 655 3.103 0.523 4.959 1.00 34.34 H new ATOM 0 HG13 ILE A 655 3.842 1.959 4.278 1.00 34.34 H new ATOM 0 HG21 ILE A 655 0.646 0.013 3.848 1.00 51.54 H new ATOM 0 HG22 ILE A 655 1.019 -0.373 2.151 1.00 51.54 H new ATOM 0 HG23 ILE A 655 2.052 -1.005 3.456 1.00 51.54 H new ATOM 0 HD11 ILE A 655 2.440 2.523 6.201 1.00 14.25 H new ATOM 0 HD12 ILE A 655 1.779 3.244 4.714 1.00 14.25 H new ATOM 0 HD13 ILE A 655 1.029 1.786 5.406 1.00 14.25 H new ATOM 295 N PHE A 656 2.136 1.084 0.009 1.00 33.11 N ATOM 296 CA PHE A 656 1.525 0.640 -1.238 1.00 22.22 C ATOM 297 C PHE A 656 2.587 0.160 -2.223 1.00 63.23 C ATOM 298 O PHE A 656 2.403 -0.847 -2.908 1.00 12.14 O ATOM 299 CB PHE A 656 0.710 1.774 -1.863 1.00 22.14 C ATOM 300 CG PHE A 656 0.292 1.503 -3.280 1.00 72.14 C ATOM 301 CD1 PHE A 656 -0.123 0.237 -3.663 1.00 1.41 C ATOM 302 CD2 PHE A 656 0.315 2.512 -4.228 1.00 45.21 C ATOM 303 CE1 PHE A 656 -0.507 -0.016 -4.966 1.00 55.40 C ATOM 304 CE2 PHE A 656 -0.069 2.265 -5.534 1.00 14.01 C ATOM 305 CZ PHE A 656 -0.481 0.999 -5.903 1.00 34.35 C ATOM 0 H PHE A 656 1.939 2.055 0.253 1.00 33.11 H new ATOM 0 HA PHE A 656 0.861 -0.194 -1.011 1.00 22.22 H new ATOM 0 HB2 PHE A 656 -0.179 1.948 -1.257 1.00 22.14 H new ATOM 0 HB3 PHE A 656 1.298 2.691 -1.836 1.00 22.14 H new ATOM 0 HD1 PHE A 656 -0.146 -0.560 -2.935 1.00 1.41 H new ATOM 0 HD2 PHE A 656 0.636 3.503 -3.945 1.00 45.21 H new ATOM 0 HE1 PHE A 656 -0.827 -1.007 -5.252 1.00 55.40 H new ATOM 0 HE2 PHE A 656 -0.047 3.061 -6.264 1.00 14.01 H new ATOM 0 HZ PHE A 656 -0.782 0.803 -6.922 1.00 34.35 H new ATOM 315 N MET A 657 3.698 0.887 -2.288 1.00 12.23 N ATOM 316 CA MET A 657 4.789 0.535 -3.188 1.00 43.31 C ATOM 317 C MET A 657 5.507 -0.722 -2.706 1.00 33.12 C ATOM 318 O MET A 657 5.632 -1.698 -3.444 1.00 45.53 O ATOM 319 CB MET A 657 5.782 1.694 -3.299 1.00 51.23 C ATOM 320 CG MET A 657 5.180 2.954 -3.898 1.00 35.23 C ATOM 321 SD MET A 657 6.407 3.985 -4.723 1.00 72.23 S ATOM 322 CE MET A 657 7.120 4.849 -3.326 1.00 14.14 C ATOM 0 H MET A 657 3.866 1.723 -1.728 1.00 12.23 H new ATOM 0 HA MET A 657 4.365 0.335 -4.172 1.00 43.31 H new ATOM 0 HB2 MET A 657 6.172 1.923 -2.308 1.00 51.23 H new ATOM 0 HB3 MET A 657 6.628 1.380 -3.910 1.00 51.23 H new ATOM 0 HG2 MET A 657 4.404 2.677 -4.612 1.00 35.23 H new ATOM 0 HG3 MET A 657 4.697 3.531 -3.110 1.00 35.23 H new ATOM 0 HE1 MET A 657 6.825 5.898 -3.358 1.00 14.14 H new ATOM 0 HE2 MET A 657 6.763 4.400 -2.399 1.00 14.14 H new ATOM 0 HE3 MET A 657 8.207 4.776 -3.369 1.00 14.14 H new ATOM 332 N MET A 658 5.978 -0.689 -1.464 1.00 32.22 N ATOM 333 CA MET A 658 6.684 -1.826 -0.883 1.00 64.23 C ATOM 334 C MET A 658 5.820 -3.081 -0.928 1.00 51.52 C ATOM 335 O MET A 658 6.241 -4.120 -1.441 1.00 43.20 O ATOM 336 CB MET A 658 7.087 -1.521 0.560 1.00 23.10 C ATOM 337 CG MET A 658 8.293 -0.603 0.674 1.00 61.33 C ATOM 338 SD MET A 658 9.079 -0.685 2.294 1.00 40.41 S ATOM 339 CE MET A 658 7.646 -0.653 3.368 1.00 20.24 C ATOM 0 H MET A 658 5.884 0.112 -0.840 1.00 32.22 H new ATOM 0 HA MET A 658 7.583 -2.004 -1.473 1.00 64.23 H new ATOM 0 HB2 MET A 658 6.243 -1.063 1.075 1.00 23.10 H new ATOM 0 HB3 MET A 658 7.304 -2.458 1.073 1.00 23.10 H new ATOM 0 HG2 MET A 658 9.021 -0.869 -0.092 1.00 61.33 H new ATOM 0 HG3 MET A 658 7.983 0.423 0.477 1.00 61.33 H new ATOM 0 HE1 MET A 658 7.900 -0.146 4.299 1.00 20.24 H new ATOM 0 HE2 MET A 658 6.833 -0.120 2.875 1.00 20.24 H new ATOM 0 HE3 MET A 658 7.331 -1.674 3.585 1.00 20.24 H new ATOM 349 N LEU A 659 4.609 -2.981 -0.389 1.00 74.14 N ATOM 350 CA LEU A 659 3.686 -4.110 -0.366 1.00 2.51 C ATOM 351 C LEU A 659 3.464 -4.660 -1.772 1.00 41.10 C ATOM 352 O LEU A 659 3.549 -5.867 -1.997 1.00 25.33 O ATOM 353 CB LEU A 659 2.349 -3.687 0.245 1.00 50.14 C ATOM 354 CG LEU A 659 2.351 -3.431 1.752 1.00 55.13 C ATOM 355 CD1 LEU A 659 0.939 -3.169 2.253 1.00 45.44 C ATOM 356 CD2 LEU A 659 2.972 -4.606 2.493 1.00 42.35 C ATOM 0 H LEU A 659 4.244 -2.129 0.038 1.00 74.14 H new ATOM 0 HA LEU A 659 4.127 -4.896 0.247 1.00 2.51 H new ATOM 0 HB2 LEU A 659 2.014 -2.779 -0.257 1.00 50.14 H new ATOM 0 HB3 LEU A 659 1.613 -4.461 0.029 1.00 50.14 H new ATOM 0 HG LEU A 659 2.954 -2.544 1.948 1.00 55.13 H new ATOM 0 HD11 LEU A 659 0.962 -2.989 3.328 1.00 45.44 H new ATOM 0 HD12 LEU A 659 0.530 -2.294 1.747 1.00 45.44 H new ATOM 0 HD13 LEU A 659 0.312 -4.036 2.043 1.00 45.44 H new ATOM 0 HD21 LEU A 659 2.965 -4.405 3.564 1.00 42.35 H new ATOM 0 HD22 LEU A 659 2.397 -5.510 2.289 1.00 42.35 H new ATOM 0 HD23 LEU A 659 3.999 -4.746 2.157 1.00 42.35 H new ATOM 368 N GLY A 660 3.181 -3.766 -2.714 1.00 2.12 N ATOM 369 CA GLY A 660 2.954 -4.180 -4.086 1.00 42.30 C ATOM 370 C GLY A 660 4.165 -4.860 -4.694 1.00 3.01 C ATOM 371 O GLY A 660 4.065 -5.968 -5.219 1.00 51.42 O ATOM 0 H GLY A 660 3.105 -2.762 -2.551 1.00 2.12 H new ATOM 0 HA2 GLY A 660 2.103 -4.861 -4.121 1.00 42.30 H new ATOM 0 HA3 GLY A 660 2.690 -3.309 -4.686 1.00 42.30 H new ATOM 375 N GLY A 661 5.312 -4.192 -4.627 1.00 13.12 N ATOM 376 CA GLY A 661 6.531 -4.753 -5.181 1.00 44.10 C ATOM 377 C GLY A 661 6.986 -5.994 -4.440 1.00 53.34 C ATOM 378 O GLY A 661 7.577 -6.899 -5.032 1.00 35.31 O ATOM 0 H GLY A 661 5.419 -3.272 -4.199 1.00 13.12 H new ATOM 0 HA2 GLY A 661 6.370 -4.999 -6.231 1.00 44.10 H new ATOM 0 HA3 GLY A 661 7.321 -4.003 -5.147 1.00 44.10 H new ATOM 382 N THR A 662 6.713 -6.040 -3.139 1.00 23.32 N ATOM 383 CA THR A 662 7.102 -7.177 -2.316 1.00 63.21 C ATOM 384 C THR A 662 6.222 -8.389 -2.601 1.00 4.11 C ATOM 385 O THR A 662 6.721 -9.474 -2.902 1.00 5.32 O ATOM 386 CB THR A 662 7.019 -6.839 -0.816 1.00 73.14 C ATOM 387 OG1 THR A 662 7.996 -5.846 -0.482 1.00 3.10 O ATOM 388 CG2 THR A 662 7.242 -8.082 0.033 1.00 71.11 C ATOM 0 H THR A 662 6.224 -5.302 -2.633 1.00 23.32 H new ATOM 0 HA THR A 662 8.135 -7.413 -2.571 1.00 63.21 H new ATOM 0 HB THR A 662 6.022 -6.451 -0.609 1.00 73.14 H new ATOM 0 HG1 THR A 662 7.664 -4.961 -0.740 1.00 3.10 H new ATOM 0 HG21 THR A 662 7.179 -7.818 1.089 1.00 71.11 H new ATOM 0 HG22 THR A 662 6.479 -8.825 -0.202 1.00 71.11 H new ATOM 0 HG23 THR A 662 8.228 -8.495 -0.179 1.00 71.11 H new ATOM 396 N PHE A 663 4.911 -8.197 -2.506 1.00 4.42 N ATOM 397 CA PHE A 663 3.960 -9.275 -2.754 1.00 51.53 C ATOM 398 C PHE A 663 4.181 -9.889 -4.134 1.00 32.52 C ATOM 399 O PHE A 663 4.373 -11.097 -4.265 1.00 41.44 O ATOM 400 CB PHE A 663 2.526 -8.756 -2.638 1.00 11.34 C ATOM 401 CG PHE A 663 1.559 -9.777 -2.109 1.00 41.04 C ATOM 402 CD1 PHE A 663 1.436 -11.015 -2.719 1.00 44.00 C ATOM 403 CD2 PHE A 663 0.775 -9.499 -1.001 1.00 44.13 C ATOM 404 CE1 PHE A 663 0.548 -11.956 -2.234 1.00 4.43 C ATOM 405 CE2 PHE A 663 -0.116 -10.436 -0.512 1.00 33.11 C ATOM 406 CZ PHE A 663 -0.229 -11.667 -1.129 1.00 34.13 C ATOM 0 H PHE A 663 4.482 -7.305 -2.259 1.00 4.42 H new ATOM 0 HA PHE A 663 4.121 -10.047 -2.002 1.00 51.53 H new ATOM 0 HB2 PHE A 663 2.516 -7.884 -1.984 1.00 11.34 H new ATOM 0 HB3 PHE A 663 2.189 -8.422 -3.619 1.00 11.34 H new ATOM 0 HD1 PHE A 663 2.041 -11.247 -3.583 1.00 44.00 H new ATOM 0 HD2 PHE A 663 0.861 -8.539 -0.514 1.00 44.13 H new ATOM 0 HE1 PHE A 663 0.461 -12.917 -2.719 1.00 4.43 H new ATOM 0 HE2 PHE A 663 -0.723 -10.206 0.351 1.00 33.11 H new ATOM 0 HZ PHE A 663 -0.923 -12.402 -0.748 1.00 34.13 H new ATOM 416 N LEU A 664 4.152 -9.046 -5.161 1.00 34.32 N ATOM 417 CA LEU A 664 4.349 -9.504 -6.531 1.00 21.35 C ATOM 418 C LEU A 664 5.680 -10.235 -6.676 1.00 13.34 C ATOM 419 O LEU A 664 5.737 -11.339 -7.219 1.00 3.45 O ATOM 420 CB LEU A 664 4.298 -8.318 -7.498 1.00 11.01 C ATOM 421 CG LEU A 664 2.949 -7.608 -7.618 1.00 72.43 C ATOM 422 CD1 LEU A 664 2.933 -6.698 -8.836 1.00 2.04 C ATOM 423 CD2 LEU A 664 1.817 -8.623 -7.693 1.00 31.15 C ATOM 0 H LEU A 664 3.994 -8.042 -5.070 1.00 34.32 H new ATOM 0 HA LEU A 664 3.546 -10.199 -6.774 1.00 21.35 H new ATOM 0 HB2 LEU A 664 5.044 -7.587 -7.185 1.00 11.01 H new ATOM 0 HB3 LEU A 664 4.591 -8.669 -8.488 1.00 11.01 H new ATOM 0 HG LEU A 664 2.802 -6.995 -6.729 1.00 72.43 H new ATOM 0 HD11 LEU A 664 1.966 -6.201 -8.906 1.00 2.04 H new ATOM 0 HD12 LEU A 664 3.720 -5.950 -8.741 1.00 2.04 H new ATOM 0 HD13 LEU A 664 3.102 -7.291 -9.735 1.00 2.04 H new ATOM 0 HD21 LEU A 664 0.864 -8.100 -7.778 1.00 31.15 H new ATOM 0 HD22 LEU A 664 1.959 -9.263 -8.564 1.00 31.15 H new ATOM 0 HD23 LEU A 664 1.816 -9.234 -6.791 1.00 31.15 H new ATOM 435 N TYR A 665 6.746 -9.614 -6.184 1.00 63.34 N ATOM 436 CA TYR A 665 8.077 -10.206 -6.259 1.00 43.31 C ATOM 437 C TYR A 665 8.110 -11.560 -5.556 1.00 35.33 C ATOM 438 O TYR A 665 8.607 -12.544 -6.104 1.00 55.33 O ATOM 439 CB TYR A 665 9.111 -9.269 -5.635 1.00 22.24 C ATOM 440 CG TYR A 665 10.421 -9.946 -5.303 1.00 53.44 C ATOM 441 CD1 TYR A 665 10.619 -10.550 -4.067 1.00 71.11 C ATOM 442 CD2 TYR A 665 11.460 -9.983 -6.223 1.00 42.12 C ATOM 443 CE1 TYR A 665 11.814 -11.169 -3.758 1.00 41.34 C ATOM 444 CE2 TYR A 665 12.659 -10.602 -5.924 1.00 42.43 C ATOM 445 CZ TYR A 665 12.831 -11.193 -4.690 1.00 42.24 C ATOM 446 OH TYR A 665 14.024 -11.810 -4.388 1.00 2.33 O ATOM 0 H TYR A 665 6.715 -8.702 -5.729 1.00 63.34 H new ATOM 0 HA TYR A 665 8.322 -10.356 -7.310 1.00 43.31 H new ATOM 0 HB2 TYR A 665 9.302 -8.444 -6.321 1.00 22.24 H new ATOM 0 HB3 TYR A 665 8.695 -8.837 -4.725 1.00 22.24 H new ATOM 0 HD1 TYR A 665 9.824 -10.535 -3.336 1.00 71.11 H new ATOM 0 HD2 TYR A 665 11.329 -9.520 -7.190 1.00 42.12 H new ATOM 0 HE1 TYR A 665 11.952 -11.632 -2.792 1.00 41.34 H new ATOM 0 HE2 TYR A 665 13.456 -10.623 -6.652 1.00 42.43 H new ATOM 0 HH TYR A 665 14.632 -11.738 -5.153 1.00 2.33 H new ATOM 456 N TRP A 666 7.580 -11.600 -4.339 1.00 2.32 N ATOM 457 CA TRP A 666 7.548 -12.832 -3.560 1.00 1.31 C ATOM 458 C TRP A 666 6.837 -13.942 -4.325 1.00 41.35 C ATOM 459 O TRP A 666 7.371 -15.040 -4.483 1.00 51.24 O ATOM 460 CB TRP A 666 6.851 -12.593 -2.219 1.00 55.24 C ATOM 461 CG TRP A 666 7.441 -13.390 -1.093 1.00 64.21 C ATOM 462 CD1 TRP A 666 8.515 -13.048 -0.323 1.00 23.03 C ATOM 463 CD2 TRP A 666 6.990 -14.662 -0.615 1.00 24.24 C ATOM 464 NE1 TRP A 666 8.759 -14.031 0.606 1.00 31.32 N ATOM 465 CE2 TRP A 666 7.837 -15.031 0.448 1.00 42.41 C ATOM 466 CE3 TRP A 666 5.951 -15.522 -0.980 1.00 55.22 C ATOM 467 CZ2 TRP A 666 7.675 -16.224 1.146 1.00 75.34 C ATOM 468 CZ3 TRP A 666 5.794 -16.707 -0.286 1.00 51.31 C ATOM 469 CH2 TRP A 666 6.651 -17.049 0.768 1.00 11.02 C ATOM 0 H TRP A 666 7.167 -10.794 -3.871 1.00 2.32 H new ATOM 0 HA TRP A 666 8.576 -13.144 -3.377 1.00 1.31 H new ATOM 0 HB2 TRP A 666 6.907 -11.533 -1.972 1.00 55.24 H new ATOM 0 HB3 TRP A 666 5.794 -12.843 -2.317 1.00 55.24 H new ATOM 0 HD1 TRP A 666 9.088 -12.139 -0.428 1.00 23.03 H new ATOM 0 HE1 TRP A 666 9.506 -14.018 1.301 1.00 31.32 H new ATOM 0 HE3 TRP A 666 5.283 -15.266 -1.789 1.00 55.22 H new ATOM 0 HZ2 TRP A 666 8.335 -16.490 1.958 1.00 75.34 H new ATOM 0 HZ3 TRP A 666 4.996 -17.381 -0.561 1.00 51.31 H new ATOM 0 HH2 TRP A 666 6.501 -17.981 1.292 1.00 11.02 H new ATOM 480 N ARG A 667 5.630 -13.650 -4.798 1.00 5.00 N ATOM 481 CA ARG A 667 4.845 -14.625 -5.547 1.00 41.04 C ATOM 482 C ARG A 667 5.654 -15.196 -6.708 1.00 25.10 C ATOM 483 O ARG A 667 5.790 -16.411 -6.845 1.00 60.42 O ATOM 484 CB ARG A 667 3.560 -13.982 -6.073 1.00 53.13 C ATOM 485 CG ARG A 667 2.499 -13.781 -5.003 1.00 2.12 C ATOM 486 CD ARG A 667 1.335 -12.953 -5.524 1.00 0.12 C ATOM 487 NE ARG A 667 0.598 -13.646 -6.578 1.00 34.25 N ATOM 488 CZ ARG A 667 -0.323 -14.573 -6.342 1.00 71.04 C ATOM 489 NH1 ARG A 667 -0.619 -14.918 -5.096 1.00 23.03 N ATOM 490 NH2 ARG A 667 -0.951 -15.159 -7.354 1.00 71.45 N ATOM 0 H ARG A 667 5.174 -12.746 -4.676 1.00 5.00 H new ATOM 0 HA ARG A 667 4.584 -15.440 -4.872 1.00 41.04 H new ATOM 0 HB2 ARG A 667 3.802 -13.017 -6.519 1.00 53.13 H new ATOM 0 HB3 ARG A 667 3.150 -14.606 -6.867 1.00 53.13 H new ATOM 0 HG2 ARG A 667 2.134 -14.750 -4.663 1.00 2.12 H new ATOM 0 HG3 ARG A 667 2.941 -13.286 -4.138 1.00 2.12 H new ATOM 0 HD2 ARG A 667 0.659 -12.721 -4.701 1.00 0.12 H new ATOM 0 HD3 ARG A 667 1.709 -12.003 -5.907 1.00 0.12 H new ATOM 0 HE ARG A 667 0.802 -13.405 -7.548 1.00 34.25 H new ATOM 0 HH11 ARG A 667 -0.139 -14.471 -4.315 1.00 23.03 H new ATOM 0 HH12 ARG A 667 -1.327 -15.630 -4.919 1.00 23.03 H new ATOM 0 HH21 ARG A 667 -0.726 -14.897 -8.314 1.00 71.45 H new ATOM 0 HH22 ARG A 667 -1.658 -15.871 -7.172 1.00 71.45 H new ATOM 504 N GLY A 668 6.186 -14.310 -7.545 1.00 21.33 N ATOM 505 CA GLY A 668 6.974 -14.744 -8.684 1.00 3.43 C ATOM 506 C GLY A 668 8.253 -15.444 -8.272 1.00 54.14 C ATOM 507 O GLY A 668 8.774 -16.284 -9.006 1.00 2.11 O ATOM 0 H GLY A 668 6.085 -13.299 -7.454 1.00 21.33 H new ATOM 0 HA2 GLY A 668 6.377 -15.417 -9.299 1.00 3.43 H new ATOM 0 HA3 GLY A 668 7.219 -13.880 -9.302 1.00 3.43 H new ATOM 511 N ARG A 669 8.762 -15.098 -7.094 1.00 64.32 N ATOM 512 CA ARG A 669 9.990 -15.697 -6.587 1.00 61.45 C ATOM 513 C ARG A 669 9.797 -17.185 -6.313 1.00 12.30 C ATOM 514 O ARG A 669 10.455 -18.029 -6.920 1.00 43.42 O ATOM 515 CB ARG A 669 10.440 -14.986 -5.309 1.00 4.41 C ATOM 516 CG ARG A 669 11.684 -14.132 -5.492 1.00 20.11 C ATOM 517 CD ARG A 669 12.868 -14.965 -5.960 1.00 10.20 C ATOM 518 NE ARG A 669 13.040 -16.172 -5.156 1.00 43.50 N ATOM 519 CZ ARG A 669 13.640 -16.187 -3.971 1.00 24.05 C ATOM 520 NH1 ARG A 669 14.122 -15.065 -3.455 1.00 62.13 N ATOM 521 NH2 ARG A 669 13.757 -17.325 -3.300 1.00 50.14 N ATOM 0 H ARG A 669 8.343 -14.406 -6.473 1.00 64.32 H new ATOM 0 HA ARG A 669 10.761 -15.583 -7.349 1.00 61.45 H new ATOM 0 HB2 ARG A 669 9.627 -14.356 -4.949 1.00 4.41 H new ATOM 0 HB3 ARG A 669 10.632 -15.731 -4.537 1.00 4.41 H new ATOM 0 HG2 ARG A 669 11.482 -13.344 -6.218 1.00 20.11 H new ATOM 0 HG3 ARG A 669 11.932 -13.642 -4.550 1.00 20.11 H new ATOM 0 HD2 ARG A 669 12.726 -15.242 -7.004 1.00 10.20 H new ATOM 0 HD3 ARG A 669 13.776 -14.364 -5.911 1.00 10.20 H new ATOM 0 HE ARG A 669 12.680 -17.052 -5.525 1.00 43.50 H new ATOM 0 HH11 ARG A 669 14.032 -14.188 -3.968 1.00 62.13 H new ATOM 0 HH12 ARG A 669 14.582 -15.079 -2.545 1.00 62.13 H new ATOM 0 HH21 ARG A 669 13.386 -18.190 -3.694 1.00 50.14 H new ATOM 0 HH22 ARG A 669 14.218 -17.335 -2.390 1.00 50.14 H new ATOM 535 N ARG A 670 8.890 -17.499 -5.393 1.00 22.03 N ATOM 536 CA ARG A 670 8.611 -18.885 -5.036 1.00 5.24 C ATOM 537 C ARG A 670 8.264 -19.706 -6.276 1.00 21.15 C ATOM 538 O ARG A 670 8.604 -20.885 -6.367 1.00 72.42 O ATOM 539 CB ARG A 670 7.463 -18.953 -4.029 1.00 2.41 C ATOM 540 CG ARG A 670 7.649 -18.037 -2.830 1.00 1.43 C ATOM 541 CD ARG A 670 8.966 -18.309 -2.121 1.00 13.23 C ATOM 542 NE ARG A 670 9.886 -17.180 -2.225 1.00 70.20 N ATOM 543 CZ ARG A 670 10.912 -16.990 -1.403 1.00 72.24 C ATOM 544 NH1 ARG A 670 11.147 -17.850 -0.422 1.00 73.51 N ATOM 545 NH2 ARG A 670 11.705 -15.939 -1.562 1.00 32.33 N ATOM 0 H ARG A 670 8.336 -16.812 -4.881 1.00 22.03 H new ATOM 0 HA ARG A 670 9.508 -19.305 -4.582 1.00 5.24 H new ATOM 0 HB2 ARG A 670 6.533 -18.693 -4.534 1.00 2.41 H new ATOM 0 HB3 ARG A 670 7.359 -19.980 -3.678 1.00 2.41 H new ATOM 0 HG2 ARG A 670 7.618 -16.998 -3.157 1.00 1.43 H new ATOM 0 HG3 ARG A 670 6.823 -18.177 -2.132 1.00 1.43 H new ATOM 0 HD2 ARG A 670 8.774 -18.525 -1.070 1.00 13.23 H new ATOM 0 HD3 ARG A 670 9.432 -19.197 -2.549 1.00 13.23 H new ATOM 0 HE ARG A 670 9.732 -16.500 -2.970 1.00 70.20 H new ATOM 0 HH11 ARG A 670 10.539 -18.660 -0.297 1.00 73.51 H new ATOM 0 HH12 ARG A 670 11.935 -17.702 0.208 1.00 73.51 H new ATOM 0 HH21 ARG A 670 11.527 -15.276 -2.316 1.00 32.33 H new ATOM 0 HH22 ARG A 670 12.493 -15.794 -0.930 1.00 32.33 H new ATOM 559 N HIS A 671 7.584 -19.073 -7.227 1.00 41.12 N ATOM 560 CA HIS A 671 7.191 -19.744 -8.460 1.00 65.12 C ATOM 561 C HIS A 671 8.408 -20.318 -9.179 1.00 55.12 C ATOM 562 O HIS A 671 8.302 -21.298 -9.916 1.00 53.25 O ATOM 563 CB HIS A 671 6.452 -18.772 -9.382 1.00 1.10 C ATOM 564 CG HIS A 671 5.007 -18.598 -9.032 1.00 4.23 C ATOM 565 ND1 HIS A 671 4.237 -17.559 -9.512 1.00 12.22 N ATOM 566 CD2 HIS A 671 4.190 -19.338 -8.246 1.00 52.20 C ATOM 567 CE1 HIS A 671 3.010 -17.667 -9.035 1.00 14.43 C ATOM 568 NE2 HIS A 671 2.954 -18.739 -8.264 1.00 32.12 N ATOM 0 H HIS A 671 7.294 -18.097 -7.167 1.00 41.12 H new ATOM 0 HA HIS A 671 6.524 -20.566 -8.200 1.00 65.12 H new ATOM 0 HB2 HIS A 671 6.946 -17.801 -9.344 1.00 1.10 H new ATOM 0 HB3 HIS A 671 6.528 -19.129 -10.409 1.00 1.10 H new ATOM 0 HD2 HIS A 671 4.460 -20.233 -7.705 1.00 52.20 H new ATOM 0 HE1 HIS A 671 2.191 -16.993 -9.240 1.00 14.43 H new ATOM 0 HE2 HIS A 671 2.128 -19.068 -7.764 1.00 32.12 H new ATOM 576 N HIS A 672 9.565 -19.700 -8.959 1.00 34.04 N ATOM 577 CA HIS A 672 10.803 -20.150 -9.585 1.00 5.24 C ATOM 578 C HIS A 672 11.774 -20.692 -8.541 1.00 51.55 C ATOM 579 O HIS A 672 12.030 -20.050 -7.522 1.00 4.40 O ATOM 580 CB HIS A 672 11.455 -19.002 -10.357 1.00 13.11 C ATOM 581 CG HIS A 672 11.768 -19.340 -11.782 1.00 32.40 C ATOM 582 ND1 HIS A 672 12.982 -19.058 -12.373 1.00 3.14 N ATOM 583 CD2 HIS A 672 11.018 -19.941 -12.734 1.00 2.12 C ATOM 584 CE1 HIS A 672 12.963 -19.469 -13.628 1.00 2.11 C ATOM 585 NE2 HIS A 672 11.783 -20.009 -13.873 1.00 53.22 N ATOM 0 H HIS A 672 9.670 -18.887 -8.352 1.00 34.04 H new ATOM 0 HA HIS A 672 10.559 -20.953 -10.280 1.00 5.24 H new ATOM 0 HB2 HIS A 672 10.792 -18.137 -10.335 1.00 13.11 H new ATOM 0 HB3 HIS A 672 12.375 -18.711 -9.851 1.00 13.11 H new ATOM 0 HD2 HIS A 672 10.006 -20.300 -12.620 1.00 2.12 H new ATOM 0 HE1 HIS A 672 13.775 -19.379 -14.334 1.00 2.11 H new ATOM 0 HE2 HIS A 672 11.488 -20.411 -14.763 1.00 53.22 H new ATOM 593 N HIS A 673 12.312 -21.880 -8.801 1.00 45.13 N ATOM 594 CA HIS A 673 13.254 -22.510 -7.884 1.00 75.35 C ATOM 595 C HIS A 673 14.615 -21.825 -7.948 1.00 63.33 C ATOM 596 O HIS A 673 15.035 -21.163 -6.998 1.00 42.40 O ATOM 597 CB HIS A 673 13.402 -23.996 -8.212 1.00 70.25 C ATOM 598 CG HIS A 673 12.196 -24.811 -7.862 1.00 14.35 C ATOM 599 ND1 HIS A 673 11.787 -25.028 -6.562 1.00 41.12 N ATOM 600 CD2 HIS A 673 11.307 -25.461 -8.648 1.00 53.22 C ATOM 601 CE1 HIS A 673 10.700 -25.778 -6.565 1.00 44.44 C ATOM 602 NE2 HIS A 673 10.388 -26.055 -7.818 1.00 5.14 N ATOM 0 H HIS A 673 12.111 -22.425 -9.639 1.00 45.13 H new ATOM 0 HA HIS A 673 12.862 -22.407 -6.872 1.00 75.35 H new ATOM 0 HB2 HIS A 673 13.607 -24.106 -9.277 1.00 70.25 H new ATOM 0 HB3 HIS A 673 14.266 -24.393 -7.678 1.00 70.25 H new ATOM 0 HD2 HIS A 673 11.318 -25.505 -9.727 1.00 53.22 H new ATOM 0 HE1 HIS A 673 10.158 -26.109 -5.691 1.00 44.44 H new ATOM 0 HE2 HIS A 673 9.593 -26.619 -8.120 1.00 5.14 H new ATOM 610 N HIS A 674 15.302 -21.988 -9.075 1.00 32.52 N ATOM 611 CA HIS A 674 16.618 -21.384 -9.263 1.00 4.42 C ATOM 612 C HIS A 674 16.538 -19.865 -9.156 1.00 13.22 C ATOM 613 O HIS A 674 15.706 -19.228 -9.805 1.00 52.13 O ATOM 614 CB HIS A 674 17.194 -21.782 -10.621 1.00 23.23 C ATOM 615 CG HIS A 674 18.691 -21.759 -10.666 1.00 22.22 C ATOM 616 ND1 HIS A 674 19.416 -22.120 -11.782 1.00 75.44 N ATOM 617 CD2 HIS A 674 19.600 -21.412 -9.725 1.00 21.31 C ATOM 618 CE1 HIS A 674 20.706 -21.999 -11.524 1.00 1.01 C ATOM 619 NE2 HIS A 674 20.845 -21.570 -10.283 1.00 11.31 N ATOM 0 H HIS A 674 14.970 -22.532 -9.871 1.00 32.52 H new ATOM 0 HA HIS A 674 17.276 -21.751 -8.476 1.00 4.42 H new ATOM 0 HB2 HIS A 674 16.846 -22.783 -10.875 1.00 23.23 H new ATOM 0 HB3 HIS A 674 16.805 -21.107 -11.383 1.00 23.23 H new ATOM 0 HD2 HIS A 674 19.386 -21.074 -8.722 1.00 21.31 H new ATOM 0 HE1 HIS A 674 21.510 -22.214 -12.212 1.00 1.01 H new ATOM 0 HE2 HIS A 674 21.732 -21.386 -9.815 1.00 11.31 H new ATOM 627 N HIS A 675 17.407 -19.288 -8.331 1.00 42.22 N ATOM 628 CA HIS A 675 17.435 -17.843 -8.139 1.00 14.24 C ATOM 629 C HIS A 675 18.534 -17.203 -8.981 1.00 12.11 C ATOM 630 O HIS A 675 19.515 -17.857 -9.340 1.00 5.43 O ATOM 631 CB HIS A 675 17.647 -17.508 -6.662 1.00 22.52 C ATOM 632 CG HIS A 675 19.031 -17.807 -6.172 1.00 45.53 C ATOM 633 ND1 HIS A 675 19.348 -18.950 -5.467 1.00 3.54 N ATOM 634 CD2 HIS A 675 20.183 -17.109 -6.292 1.00 13.13 C ATOM 635 CE1 HIS A 675 20.635 -18.938 -5.173 1.00 73.24 C ATOM 636 NE2 HIS A 675 21.165 -17.832 -5.662 1.00 60.22 N ATOM 0 H HIS A 675 18.101 -19.799 -7.785 1.00 42.22 H new ATOM 0 HA HIS A 675 16.475 -17.440 -8.461 1.00 14.24 H new ATOM 0 HB2 HIS A 675 17.435 -16.451 -6.504 1.00 22.52 H new ATOM 0 HB3 HIS A 675 16.930 -18.070 -6.064 1.00 22.52 H new ATOM 0 HD2 HIS A 675 20.307 -16.159 -6.791 1.00 13.13 H new ATOM 0 HE1 HIS A 675 21.165 -19.703 -4.625 1.00 73.24 H new ATOM 0 HE2 HIS A 675 22.145 -17.559 -5.584 1.00 60.22 H new ATOM 644 N HIS A 676 18.365 -15.922 -9.294 1.00 54.20 N ATOM 645 CA HIS A 676 19.344 -15.194 -10.094 1.00 50.45 C ATOM 646 C HIS A 676 20.616 -14.935 -9.292 1.00 43.14 C ATOM 647 O HIS A 676 21.692 -15.348 -9.723 1.00 33.35 O ATOM 648 CB HIS A 676 18.753 -13.870 -10.579 1.00 73.14 C ATOM 649 CG HIS A 676 18.290 -13.908 -12.002 1.00 24.44 C ATOM 650 ND1 HIS A 676 17.187 -14.624 -12.416 1.00 62.34 N ATOM 651 CD2 HIS A 676 18.785 -13.308 -13.111 1.00 22.12 C ATOM 652 CE1 HIS A 676 17.025 -14.466 -13.718 1.00 61.05 C ATOM 653 NE2 HIS A 676 17.982 -13.671 -14.164 1.00 73.22 N ATOM 0 H HIS A 676 17.559 -15.367 -9.006 1.00 54.20 H new ATOM 0 HA HIS A 676 19.600 -15.807 -10.958 1.00 50.45 H new ATOM 0 HB2 HIS A 676 17.913 -13.600 -9.939 1.00 73.14 H new ATOM 0 HB3 HIS A 676 19.502 -13.085 -10.470 1.00 73.14 H new ATOM 0 HD2 HIS A 676 19.651 -12.664 -13.158 1.00 22.12 H new ATOM 0 HE1 HIS A 676 16.243 -14.911 -14.316 1.00 61.05 H new ATOM 0 HE2 HIS A 676 18.104 -13.375 -15.133 1.00 73.22 H new TER 661 HIS A 676 ATOM 662 N MET B 637 -12.319 32.950 5.435 1.00 65.13 N ATOM 663 CA MET B 637 -12.098 31.510 5.363 1.00 64.55 C ATOM 664 C MET B 637 -11.668 31.095 3.959 1.00 11.03 C ATOM 665 O MET B 637 -12.328 31.427 2.975 1.00 24.43 O ATOM 666 CB MET B 637 -13.367 30.757 5.764 1.00 73.44 C ATOM 667 CG MET B 637 -13.200 29.909 7.016 1.00 24.32 C ATOM 668 SD MET B 637 -14.769 29.562 7.833 1.00 22.25 S ATOM 669 CE MET B 637 -14.360 29.958 9.531 1.00 12.41 C ATOM 0 HA MET B 637 -11.298 31.255 6.059 1.00 64.55 H new ATOM 0 HB2 MET B 637 -14.170 31.476 5.926 1.00 73.44 H new ATOM 0 HB3 MET B 637 -13.675 30.115 4.939 1.00 73.44 H new ATOM 0 HG2 MET B 637 -12.717 28.969 6.751 1.00 24.32 H new ATOM 0 HG3 MET B 637 -12.538 30.423 7.713 1.00 24.32 H new ATOM 0 HE1 MET B 637 -15.233 29.793 10.163 1.00 12.41 H new ATOM 0 HE2 MET B 637 -13.543 29.320 9.867 1.00 12.41 H new ATOM 0 HE3 MET B 637 -14.055 31.002 9.598 1.00 12.41 H new ATOM 679 N GLY B 638 -10.559 30.367 3.874 1.00 11.03 N ATOM 680 CA GLY B 638 -10.062 29.919 2.586 1.00 35.52 C ATOM 681 C GLY B 638 -10.147 28.415 2.423 1.00 40.00 C ATOM 682 O GLY B 638 -11.168 27.889 1.978 1.00 1.25 O ATOM 0 H GLY B 638 -9.996 30.079 4.674 1.00 11.03 H new ATOM 0 HA2 GLY B 638 -10.633 30.400 1.792 1.00 35.52 H new ATOM 0 HA3 GLY B 638 -9.026 30.236 2.470 1.00 35.52 H new ATOM 686 N ARG B 639 -9.073 27.720 2.781 1.00 12.11 N ATOM 687 CA ARG B 639 -9.030 26.267 2.670 1.00 63.02 C ATOM 688 C ARG B 639 -9.358 25.822 1.247 1.00 24.04 C ATOM 689 O ARG B 639 -10.523 25.620 0.901 1.00 32.35 O ATOM 690 CB ARG B 639 -10.011 25.629 3.654 1.00 14.23 C ATOM 691 CG ARG B 639 -9.628 25.830 5.112 1.00 64.50 C ATOM 692 CD ARG B 639 -10.624 26.727 5.831 1.00 41.04 C ATOM 693 NE ARG B 639 -10.287 26.899 7.241 1.00 53.44 N ATOM 694 CZ ARG B 639 -9.374 27.758 7.679 1.00 11.33 C ATOM 695 NH1 ARG B 639 -8.711 28.521 6.821 1.00 41.23 N ATOM 696 NH2 ARG B 639 -9.123 27.856 8.979 1.00 21.40 N ATOM 0 H ARG B 639 -8.220 28.140 3.151 1.00 12.11 H new ATOM 0 HA ARG B 639 -8.019 25.939 2.912 1.00 63.02 H new ATOM 0 HB2 ARG B 639 -11.004 26.047 3.487 1.00 14.23 H new ATOM 0 HB3 ARG B 639 -10.076 24.561 3.448 1.00 14.23 H new ATOM 0 HG2 ARG B 639 -9.579 24.863 5.613 1.00 64.50 H new ATOM 0 HG3 ARG B 639 -8.632 26.270 5.171 1.00 64.50 H new ATOM 0 HD2 ARG B 639 -10.652 27.702 5.343 1.00 41.04 H new ATOM 0 HD3 ARG B 639 -11.623 26.300 5.747 1.00 41.04 H new ATOM 0 HE ARG B 639 -10.780 26.328 7.927 1.00 53.44 H new ATOM 0 HH11 ARG B 639 -8.902 28.449 5.822 1.00 41.23 H new ATOM 0 HH12 ARG B 639 -8.010 29.180 7.160 1.00 41.23 H new ATOM 0 HH21 ARG B 639 -9.632 27.271 9.642 1.00 21.40 H new ATOM 0 HH22 ARG B 639 -8.422 28.516 9.315 1.00 21.40 H new ATOM 710 N THR B 640 -8.323 25.670 0.427 1.00 45.30 N ATOM 711 CA THR B 640 -8.502 25.251 -0.959 1.00 54.41 C ATOM 712 C THR B 640 -7.555 24.110 -1.313 1.00 32.22 C ATOM 713 O THR B 640 -7.975 23.085 -1.849 1.00 50.43 O ATOM 714 CB THR B 640 -8.269 26.419 -1.934 1.00 61.50 C ATOM 715 OG1 THR B 640 -9.150 27.503 -1.620 1.00 32.14 O ATOM 716 CG2 THR B 640 -8.493 25.977 -3.372 1.00 34.03 C ATOM 0 H THR B 640 -7.353 25.830 0.698 1.00 45.30 H new ATOM 0 HA THR B 640 -9.532 24.909 -1.056 1.00 54.41 H new ATOM 0 HB THR B 640 -7.236 26.749 -1.829 1.00 61.50 H new ATOM 0 HG1 THR B 640 -8.994 28.243 -2.244 1.00 32.14 H new ATOM 0 HG21 THR B 640 -8.323 26.819 -4.042 1.00 34.03 H new ATOM 0 HG22 THR B 640 -7.800 25.172 -3.617 1.00 34.03 H new ATOM 0 HG23 THR B 640 -9.517 25.622 -3.488 1.00 34.03 H new ATOM 724 N HIS B 641 -6.273 24.296 -1.011 1.00 4.11 N ATOM 725 CA HIS B 641 -5.265 23.281 -1.298 1.00 4.13 C ATOM 726 C HIS B 641 -5.526 22.013 -0.490 1.00 41.12 C ATOM 727 O HIS B 641 -4.929 20.966 -0.747 1.00 31.33 O ATOM 728 CB HIS B 641 -3.867 23.818 -0.989 1.00 11.33 C ATOM 729 CG HIS B 641 -3.583 23.937 0.476 1.00 14.21 C ATOM 730 ND1 HIS B 641 -4.528 24.339 1.397 1.00 51.01 N ATOM 731 CD2 HIS B 641 -2.450 23.703 1.180 1.00 33.24 C ATOM 732 CE1 HIS B 641 -3.988 24.349 2.603 1.00 4.35 C ATOM 733 NE2 HIS B 641 -2.728 23.966 2.499 1.00 11.44 N ATOM 0 H HIS B 641 -5.908 25.139 -0.568 1.00 4.11 H new ATOM 0 HA HIS B 641 -5.325 23.034 -2.358 1.00 4.13 H new ATOM 0 HB2 HIS B 641 -3.125 23.160 -1.442 1.00 11.33 H new ATOM 0 HB3 HIS B 641 -3.752 24.797 -1.454 1.00 11.33 H new ATOM 0 HD2 HIS B 641 -1.504 23.371 0.779 1.00 33.24 H new ATOM 0 HE1 HIS B 641 -4.491 24.624 3.518 1.00 4.35 H new ATOM 0 HE2 HIS B 641 -2.069 23.880 3.273 1.00 11.44 H new ATOM 741 N LEU B 642 -6.421 22.113 0.486 1.00 14.21 N ATOM 742 CA LEU B 642 -6.761 20.975 1.333 1.00 62.32 C ATOM 743 C LEU B 642 -7.559 19.936 0.553 1.00 41.05 C ATOM 744 O LEU B 642 -7.452 18.735 0.807 1.00 30.42 O ATOM 745 CB LEU B 642 -7.560 21.440 2.552 1.00 41.42 C ATOM 746 CG LEU B 642 -6.741 21.976 3.726 1.00 12.22 C ATOM 747 CD1 LEU B 642 -7.570 22.946 4.556 1.00 62.32 C ATOM 748 CD2 LEU B 642 -6.235 20.831 4.590 1.00 14.32 C ATOM 0 H LEU B 642 -6.925 22.971 0.711 1.00 14.21 H new ATOM 0 HA LEU B 642 -5.832 20.515 1.671 1.00 62.32 H new ATOM 0 HB2 LEU B 642 -8.252 22.219 2.232 1.00 41.42 H new ATOM 0 HB3 LEU B 642 -8.163 20.604 2.907 1.00 41.42 H new ATOM 0 HG LEU B 642 -5.880 22.513 3.328 1.00 12.22 H new ATOM 0 HD11 LEU B 642 -6.971 23.318 5.387 1.00 62.32 H new ATOM 0 HD12 LEU B 642 -7.883 23.783 3.932 1.00 62.32 H new ATOM 0 HD13 LEU B 642 -8.450 22.433 4.944 1.00 62.32 H new ATOM 0 HD21 LEU B 642 -5.654 21.231 5.421 1.00 14.32 H new ATOM 0 HD22 LEU B 642 -7.083 20.266 4.979 1.00 14.32 H new ATOM 0 HD23 LEU B 642 -5.605 20.174 3.991 1.00 14.32 H new ATOM 760 N THR B 643 -8.360 20.404 -0.399 1.00 20.53 N ATOM 761 CA THR B 643 -9.176 19.516 -1.217 1.00 63.41 C ATOM 762 C THR B 643 -8.309 18.529 -1.991 1.00 20.31 C ATOM 763 O THR B 643 -8.484 17.317 -1.881 1.00 41.31 O ATOM 764 CB THR B 643 -10.044 20.309 -2.213 1.00 41.02 C ATOM 765 OG1 THR B 643 -10.520 21.511 -1.598 1.00 11.01 O ATOM 766 CG2 THR B 643 -11.223 19.474 -2.686 1.00 25.42 C ATOM 0 H THR B 643 -8.461 21.394 -0.623 1.00 20.53 H new ATOM 0 HA THR B 643 -9.826 18.968 -0.535 1.00 63.41 H new ATOM 0 HB THR B 643 -9.429 20.562 -3.077 1.00 41.02 H new ATOM 0 HG1 THR B 643 -9.862 22.226 -1.724 1.00 11.01 H new ATOM 0 HG21 THR B 643 -11.821 20.054 -3.388 1.00 25.42 H new ATOM 0 HG22 THR B 643 -10.857 18.574 -3.179 1.00 25.42 H new ATOM 0 HG23 THR B 643 -11.837 19.194 -1.830 1.00 25.42 H new ATOM 774 N MET B 644 -7.372 19.058 -2.773 1.00 51.41 N ATOM 775 CA MET B 644 -6.476 18.222 -3.563 1.00 43.42 C ATOM 776 C MET B 644 -5.616 17.343 -2.661 1.00 72.41 C ATOM 777 O MET B 644 -5.504 16.137 -2.876 1.00 21.03 O ATOM 778 CB MET B 644 -5.585 19.091 -4.451 1.00 61.44 C ATOM 779 CG MET B 644 -6.343 19.819 -5.548 1.00 45.23 C ATOM 780 SD MET B 644 -5.249 20.667 -6.704 1.00 42.23 S ATOM 781 CE MET B 644 -4.796 22.109 -5.744 1.00 21.10 C ATOM 0 H MET B 644 -7.214 20.060 -2.876 1.00 51.41 H new ATOM 0 HA MET B 644 -7.085 17.575 -4.195 1.00 43.42 H new ATOM 0 HB2 MET B 644 -5.071 19.824 -3.829 1.00 61.44 H new ATOM 0 HB3 MET B 644 -4.818 18.464 -4.906 1.00 61.44 H new ATOM 0 HG2 MET B 644 -6.959 19.105 -6.094 1.00 45.23 H new ATOM 0 HG3 MET B 644 -7.020 20.544 -5.097 1.00 45.23 H new ATOM 0 HE1 MET B 644 -4.119 22.735 -6.325 1.00 21.10 H new ATOM 0 HE2 MET B 644 -5.693 22.677 -5.496 1.00 21.10 H new ATOM 0 HE3 MET B 644 -4.300 21.794 -4.826 1.00 21.10 H new ATOM 791 N ALA B 645 -5.009 17.957 -1.651 1.00 73.44 N ATOM 792 CA ALA B 645 -4.159 17.230 -0.715 1.00 30.31 C ATOM 793 C ALA B 645 -4.931 16.110 -0.027 1.00 24.01 C ATOM 794 O ALA B 645 -4.415 15.007 0.154 1.00 15.20 O ATOM 795 CB ALA B 645 -3.575 18.183 0.319 1.00 44.52 C ATOM 0 H ALA B 645 -5.090 18.956 -1.460 1.00 73.44 H new ATOM 0 HA ALA B 645 -3.343 16.779 -1.280 1.00 30.31 H new ATOM 0 HB1 ALA B 645 -2.943 17.626 1.011 1.00 44.52 H new ATOM 0 HB2 ALA B 645 -2.979 18.945 -0.184 1.00 44.52 H new ATOM 0 HB3 ALA B 645 -4.384 18.661 0.871 1.00 44.52 H new ATOM 801 N LEU B 646 -6.171 16.399 0.352 1.00 62.30 N ATOM 802 CA LEU B 646 -7.016 15.416 1.020 1.00 55.33 C ATOM 803 C LEU B 646 -7.267 14.211 0.119 1.00 63.01 C ATOM 804 O LEU B 646 -7.203 13.064 0.563 1.00 33.40 O ATOM 805 CB LEU B 646 -8.348 16.050 1.426 1.00 14.00 C ATOM 806 CG LEU B 646 -8.362 16.779 2.770 1.00 34.23 C ATOM 807 CD1 LEU B 646 -9.406 17.885 2.767 1.00 64.22 C ATOM 808 CD2 LEU B 646 -8.623 15.800 3.905 1.00 11.20 C ATOM 0 H LEU B 646 -6.614 17.307 0.208 1.00 62.30 H new ATOM 0 HA LEU B 646 -6.495 15.075 1.915 1.00 55.33 H new ATOM 0 HB2 LEU B 646 -8.643 16.756 0.649 1.00 14.00 H new ATOM 0 HB3 LEU B 646 -9.107 15.268 1.452 1.00 14.00 H new ATOM 0 HG LEU B 646 -7.383 17.232 2.926 1.00 34.23 H new ATOM 0 HD11 LEU B 646 -9.401 18.392 3.732 1.00 64.22 H new ATOM 0 HD12 LEU B 646 -9.175 18.602 1.979 1.00 64.22 H new ATOM 0 HD13 LEU B 646 -10.391 17.455 2.588 1.00 64.22 H new ATOM 0 HD21 LEU B 646 -8.629 16.336 4.854 1.00 11.20 H new ATOM 0 HD22 LEU B 646 -9.589 15.317 3.754 1.00 11.20 H new ATOM 0 HD23 LEU B 646 -7.838 15.044 3.921 1.00 11.20 H new ATOM 820 N THR B 647 -7.552 14.479 -1.152 1.00 42.51 N ATOM 821 CA THR B 647 -7.813 13.418 -2.116 1.00 61.30 C ATOM 822 C THR B 647 -6.608 12.494 -2.255 1.00 45.11 C ATOM 823 O THR B 647 -6.752 11.272 -2.293 1.00 70.14 O ATOM 824 CB THR B 647 -8.167 13.992 -3.501 1.00 23.22 C ATOM 825 OG1 THR B 647 -9.304 14.856 -3.397 1.00 71.23 O ATOM 826 CG2 THR B 647 -8.460 12.875 -4.492 1.00 12.42 C ATOM 0 H THR B 647 -7.608 15.422 -1.537 1.00 42.51 H new ATOM 0 HA THR B 647 -8.663 12.849 -1.738 1.00 61.30 H new ATOM 0 HB THR B 647 -7.311 14.561 -3.863 1.00 23.22 H new ATOM 0 HG1 THR B 647 -9.056 15.665 -2.903 1.00 71.23 H new ATOM 0 HG21 THR B 647 -8.707 13.305 -5.462 1.00 12.42 H new ATOM 0 HG22 THR B 647 -7.582 12.237 -4.591 1.00 12.42 H new ATOM 0 HG23 THR B 647 -9.301 12.282 -4.133 1.00 12.42 H new ATOM 834 N VAL B 648 -5.420 13.085 -2.330 1.00 71.23 N ATOM 835 CA VAL B 648 -4.190 12.315 -2.463 1.00 74.13 C ATOM 836 C VAL B 648 -3.983 11.397 -1.263 1.00 23.10 C ATOM 837 O VAL B 648 -3.764 10.195 -1.418 1.00 5.12 O ATOM 838 CB VAL B 648 -2.963 13.235 -2.608 1.00 70.40 C ATOM 839 CG1 VAL B 648 -1.683 12.416 -2.657 1.00 14.10 C ATOM 840 CG2 VAL B 648 -3.096 14.107 -3.847 1.00 71.32 C ATOM 0 H VAL B 648 -5.284 14.095 -2.301 1.00 71.23 H new ATOM 0 HA VAL B 648 -4.292 11.712 -3.365 1.00 74.13 H new ATOM 0 HB VAL B 648 -2.914 13.887 -1.736 1.00 70.40 H new ATOM 0 HG11 VAL B 648 -0.828 13.084 -2.760 1.00 14.10 H new ATOM 0 HG12 VAL B 648 -1.585 11.839 -1.737 1.00 14.10 H new ATOM 0 HG13 VAL B 648 -1.718 11.737 -3.509 1.00 14.10 H new ATOM 0 HG21 VAL B 648 -2.221 14.751 -3.934 1.00 71.32 H new ATOM 0 HG22 VAL B 648 -3.171 13.474 -4.731 1.00 71.32 H new ATOM 0 HG23 VAL B 648 -3.992 14.722 -3.765 1.00 71.32 H new ATOM 850 N ILE B 649 -4.055 11.971 -0.067 1.00 23.22 N ATOM 851 CA ILE B 649 -3.878 11.205 1.160 1.00 15.40 C ATOM 852 C ILE B 649 -4.913 10.090 1.266 1.00 4.13 C ATOM 853 O ILE B 649 -4.581 8.948 1.582 1.00 22.50 O ATOM 854 CB ILE B 649 -3.980 12.104 2.406 1.00 20.31 C ATOM 855 CG1 ILE B 649 -2.894 13.182 2.373 1.00 1.43 C ATOM 856 CG2 ILE B 649 -3.867 11.269 3.673 1.00 23.35 C ATOM 857 CD1 ILE B 649 -2.932 14.114 3.565 1.00 12.33 C ATOM 0 H ILE B 649 -4.235 12.964 0.078 1.00 23.22 H new ATOM 0 HA ILE B 649 -2.880 10.769 1.118 1.00 15.40 H new ATOM 0 HB ILE B 649 -4.953 12.594 2.404 1.00 20.31 H new ATOM 0 HG12 ILE B 649 -1.917 12.701 2.329 1.00 1.43 H new ATOM 0 HG13 ILE B 649 -3.002 13.768 1.460 1.00 1.43 H new ATOM 0 HG21 ILE B 649 -3.941 11.919 4.545 1.00 23.35 H new ATOM 0 HG22 ILE B 649 -4.673 10.535 3.698 1.00 23.35 H new ATOM 0 HG23 ILE B 649 -2.906 10.754 3.685 1.00 23.35 H new ATOM 0 HD11 ILE B 649 -2.135 14.852 3.475 1.00 12.33 H new ATOM 0 HD12 ILE B 649 -3.895 14.623 3.599 1.00 12.33 H new ATOM 0 HD13 ILE B 649 -2.793 13.539 4.481 1.00 12.33 H new ATOM 869 N ALA B 650 -6.170 10.430 0.998 1.00 53.30 N ATOM 870 CA ALA B 650 -7.253 9.457 1.059 1.00 41.43 C ATOM 871 C ALA B 650 -7.064 8.357 0.019 1.00 52.13 C ATOM 872 O ALA B 650 -7.320 7.184 0.288 1.00 24.34 O ATOM 873 CB ALA B 650 -8.595 10.147 0.861 1.00 62.32 C ATOM 0 H ALA B 650 -6.463 11.372 0.737 1.00 53.30 H new ATOM 0 HA ALA B 650 -7.236 8.995 2.046 1.00 41.43 H new ATOM 0 HB1 ALA B 650 -9.395 9.408 0.909 1.00 62.32 H new ATOM 0 HB2 ALA B 650 -8.741 10.891 1.644 1.00 62.32 H new ATOM 0 HB3 ALA B 650 -8.612 10.637 -0.112 1.00 62.32 H new ATOM 879 N GLY B 651 -6.612 8.744 -1.170 1.00 33.44 N ATOM 880 CA GLY B 651 -6.397 7.780 -2.232 1.00 40.25 C ATOM 881 C GLY B 651 -5.396 6.709 -1.848 1.00 42.14 C ATOM 882 O GLY B 651 -5.674 5.515 -1.972 1.00 75.22 O ATOM 0 H GLY B 651 -6.391 9.709 -1.416 1.00 33.44 H new ATOM 0 HA2 GLY B 651 -7.346 7.310 -2.490 1.00 40.25 H new ATOM 0 HA3 GLY B 651 -6.045 8.299 -3.124 1.00 40.25 H new ATOM 886 N LEU B 652 -4.226 7.134 -1.381 1.00 12.53 N ATOM 887 CA LEU B 652 -3.179 6.202 -0.979 1.00 73.11 C ATOM 888 C LEU B 652 -3.671 5.274 0.129 1.00 64.33 C ATOM 889 O LEU B 652 -3.448 4.065 0.083 1.00 54.51 O ATOM 890 CB LEU B 652 -1.942 6.967 -0.506 1.00 31.03 C ATOM 891 CG LEU B 652 -1.369 7.990 -1.488 1.00 1.34 C ATOM 892 CD1 LEU B 652 -0.380 8.907 -0.787 1.00 51.00 C ATOM 893 CD2 LEU B 652 -0.708 7.287 -2.664 1.00 60.11 C ATOM 0 H LEU B 652 -3.980 8.118 -1.272 1.00 12.53 H new ATOM 0 HA LEU B 652 -2.915 5.596 -1.845 1.00 73.11 H new ATOM 0 HB2 LEU B 652 -2.191 7.483 0.421 1.00 31.03 H new ATOM 0 HB3 LEU B 652 -1.161 6.244 -0.269 1.00 31.03 H new ATOM 0 HG LEU B 652 -2.189 8.599 -1.869 1.00 1.34 H new ATOM 0 HD11 LEU B 652 0.017 9.628 -1.502 1.00 51.00 H new ATOM 0 HD12 LEU B 652 -0.885 9.437 0.021 1.00 51.00 H new ATOM 0 HD13 LEU B 652 0.438 8.315 -0.377 1.00 51.00 H new ATOM 0 HD21 LEU B 652 -0.306 8.030 -3.353 1.00 60.11 H new ATOM 0 HD22 LEU B 652 0.101 6.653 -2.301 1.00 60.11 H new ATOM 0 HD23 LEU B 652 -1.445 6.673 -3.182 1.00 60.11 H new ATOM 905 N VAL B 653 -4.342 5.850 1.120 1.00 10.21 N ATOM 906 CA VAL B 653 -4.869 5.074 2.237 1.00 10.53 C ATOM 907 C VAL B 653 -5.842 4.005 1.753 1.00 2.41 C ATOM 908 O VAL B 653 -5.690 2.824 2.067 1.00 34.10 O ATOM 909 CB VAL B 653 -5.584 5.978 3.259 1.00 54.01 C ATOM 910 CG1 VAL B 653 -6.309 5.138 4.300 1.00 41.03 C ATOM 911 CG2 VAL B 653 -4.591 6.921 3.922 1.00 32.12 C ATOM 0 H VAL B 653 -4.534 6.850 1.173 1.00 10.21 H new ATOM 0 HA VAL B 653 -4.017 4.594 2.719 1.00 10.53 H new ATOM 0 HB VAL B 653 -6.325 6.579 2.731 1.00 54.01 H new ATOM 0 HG11 VAL B 653 -6.808 5.794 5.013 1.00 41.03 H new ATOM 0 HG12 VAL B 653 -7.049 4.507 3.807 1.00 41.03 H new ATOM 0 HG13 VAL B 653 -5.590 4.510 4.826 1.00 41.03 H new ATOM 0 HG21 VAL B 653 -5.113 7.552 4.641 1.00 32.12 H new ATOM 0 HG22 VAL B 653 -3.826 6.340 4.437 1.00 32.12 H new ATOM 0 HG23 VAL B 653 -4.121 7.547 3.163 1.00 32.12 H new ATOM 921 N VAL B 654 -6.843 4.425 0.986 1.00 31.41 N ATOM 922 CA VAL B 654 -7.841 3.504 0.457 1.00 71.44 C ATOM 923 C VAL B 654 -7.183 2.368 -0.318 1.00 71.32 C ATOM 924 O VAL B 654 -7.682 1.242 -0.332 1.00 45.14 O ATOM 925 CB VAL B 654 -8.840 4.227 -0.465 1.00 11.41 C ATOM 926 CG1 VAL B 654 -9.845 3.241 -1.042 1.00 75.21 C ATOM 927 CG2 VAL B 654 -9.549 5.342 0.290 1.00 54.10 C ATOM 0 H VAL B 654 -6.984 5.399 0.717 1.00 31.41 H new ATOM 0 HA VAL B 654 -8.378 3.094 1.312 1.00 71.44 H new ATOM 0 HB VAL B 654 -8.288 4.672 -1.293 1.00 11.41 H new ATOM 0 HG11 VAL B 654 -10.543 3.770 -1.691 1.00 75.21 H new ATOM 0 HG12 VAL B 654 -9.319 2.481 -1.619 1.00 75.21 H new ATOM 0 HG13 VAL B 654 -10.395 2.765 -0.230 1.00 75.21 H new ATOM 0 HG21 VAL B 654 -10.252 5.843 -0.376 1.00 54.10 H new ATOM 0 HG22 VAL B 654 -10.090 4.921 1.138 1.00 54.10 H new ATOM 0 HG23 VAL B 654 -8.814 6.062 0.650 1.00 54.10 H new ATOM 937 N ILE B 655 -6.060 2.670 -0.961 1.00 63.44 N ATOM 938 CA ILE B 655 -5.332 1.674 -1.737 1.00 61.23 C ATOM 939 C ILE B 655 -4.747 0.594 -0.834 1.00 73.12 C ATOM 940 O ILE B 655 -4.965 -0.599 -1.052 1.00 11.23 O ATOM 941 CB ILE B 655 -4.195 2.316 -2.554 1.00 13.51 C ATOM 942 CG1 ILE B 655 -4.770 3.230 -3.639 1.00 13.43 C ATOM 943 CG2 ILE B 655 -3.314 1.241 -3.172 1.00 2.14 C ATOM 944 CD1 ILE B 655 -3.855 4.376 -4.009 1.00 23.02 C ATOM 0 H ILE B 655 -5.634 3.597 -0.960 1.00 63.44 H new ATOM 0 HA ILE B 655 -6.049 1.222 -2.422 1.00 61.23 H new ATOM 0 HB ILE B 655 -3.582 2.919 -1.884 1.00 13.51 H new ATOM 0 HG12 ILE B 655 -4.976 2.638 -4.530 1.00 13.43 H new ATOM 0 HG13 ILE B 655 -5.723 3.633 -3.296 1.00 13.43 H new ATOM 0 HG21 ILE B 655 -2.515 1.711 -3.746 1.00 2.14 H new ATOM 0 HG22 ILE B 655 -2.881 0.627 -2.382 1.00 2.14 H new ATOM 0 HG23 ILE B 655 -3.914 0.613 -3.831 1.00 2.14 H new ATOM 0 HD11 ILE B 655 -4.326 4.982 -4.783 1.00 23.02 H new ATOM 0 HD12 ILE B 655 -3.669 4.992 -3.129 1.00 23.02 H new ATOM 0 HD13 ILE B 655 -2.910 3.981 -4.382 1.00 23.02 H new ATOM 956 N PHE B 656 -4.003 1.018 0.182 1.00 24.21 N ATOM 957 CA PHE B 656 -3.387 0.088 1.120 1.00 64.54 C ATOM 958 C PHE B 656 -4.442 -0.779 1.800 1.00 31.15 C ATOM 959 O PHE B 656 -4.244 -1.977 1.998 1.00 30.12 O ATOM 960 CB PHE B 656 -2.580 0.851 2.173 1.00 64.31 C ATOM 961 CG PHE B 656 -2.155 0.000 3.335 1.00 64.32 C ATOM 962 CD1 PHE B 656 -1.725 -1.302 3.136 1.00 71.35 C ATOM 963 CD2 PHE B 656 -2.184 0.502 4.626 1.00 2.11 C ATOM 964 CE1 PHE B 656 -1.334 -2.088 4.205 1.00 24.32 C ATOM 965 CE2 PHE B 656 -1.794 -0.279 5.697 1.00 14.21 C ATOM 966 CZ PHE B 656 -1.367 -1.575 5.486 1.00 13.31 C ATOM 0 H PHE B 656 -3.812 2.001 0.377 1.00 24.21 H new ATOM 0 HA PHE B 656 -2.716 -0.562 0.559 1.00 64.54 H new ATOM 0 HB2 PHE B 656 -1.694 1.277 1.702 1.00 64.31 H new ATOM 0 HB3 PHE B 656 -3.177 1.685 2.543 1.00 64.31 H new ATOM 0 HD1 PHE B 656 -1.695 -1.708 2.136 1.00 71.35 H new ATOM 0 HD2 PHE B 656 -2.515 1.516 4.797 1.00 2.11 H new ATOM 0 HE1 PHE B 656 -1.003 -3.102 4.037 1.00 24.32 H new ATOM 0 HE2 PHE B 656 -1.823 0.124 6.699 1.00 14.21 H new ATOM 0 HZ PHE B 656 -1.059 -2.186 6.322 1.00 13.31 H new ATOM 976 N MET B 657 -5.564 -0.161 2.157 1.00 51.25 N ATOM 977 CA MET B 657 -6.652 -0.875 2.816 1.00 63.33 C ATOM 978 C MET B 657 -7.362 -1.806 1.837 1.00 21.43 C ATOM 979 O MET B 657 -7.477 -3.007 2.082 1.00 3.01 O ATOM 980 CB MET B 657 -7.653 0.115 3.412 1.00 35.24 C ATOM 981 CG MET B 657 -7.059 0.999 4.497 1.00 15.02 C ATOM 982 SD MET B 657 -8.292 1.564 5.686 1.00 23.21 S ATOM 983 CE MET B 657 -9.014 2.940 4.796 1.00 33.35 C ATOM 0 H MET B 657 -5.743 0.831 2.001 1.00 51.25 H new ATOM 0 HA MET B 657 -6.225 -1.476 3.619 1.00 63.33 H new ATOM 0 HB2 MET B 657 -8.046 0.746 2.615 1.00 35.24 H new ATOM 0 HB3 MET B 657 -8.496 -0.438 3.826 1.00 35.24 H new ATOM 0 HG2 MET B 657 -6.279 0.448 5.023 1.00 15.02 H new ATOM 0 HG3 MET B 657 -6.582 1.864 4.035 1.00 15.02 H new ATOM 0 HE1 MET B 657 -8.684 3.877 5.245 1.00 33.35 H new ATOM 0 HE2 MET B 657 -8.697 2.905 3.754 1.00 33.35 H new ATOM 0 HE3 MET B 657 -10.101 2.876 4.847 1.00 33.35 H new ATOM 993 N MET B 658 -7.835 -1.244 0.730 1.00 12.35 N ATOM 994 CA MET B 658 -8.532 -2.024 -0.285 1.00 4.30 C ATOM 995 C MET B 658 -7.659 -3.171 -0.784 1.00 45.21 C ATOM 996 O MET B 658 -8.072 -4.331 -0.767 1.00 65.03 O ATOM 997 CB MET B 658 -8.939 -1.129 -1.457 1.00 41.24 C ATOM 998 CG MET B 658 -10.152 -0.261 -1.167 1.00 1.45 C ATOM 999 SD MET B 658 -10.940 0.356 -2.667 1.00 70.50 S ATOM 1000 CE MET B 658 -9.508 0.856 -3.619 1.00 24.23 C ATOM 0 H MET B 658 -7.748 -0.251 0.513 1.00 12.35 H new ATOM 0 HA MET B 658 -9.429 -2.445 0.169 1.00 4.30 H new ATOM 0 HB2 MET B 658 -8.099 -0.487 -1.722 1.00 41.24 H new ATOM 0 HB3 MET B 658 -9.149 -1.754 -2.325 1.00 41.24 H new ATOM 0 HG2 MET B 658 -10.877 -0.837 -0.591 1.00 1.45 H new ATOM 0 HG3 MET B 658 -9.850 0.583 -0.547 1.00 1.45 H new ATOM 0 HE1 MET B 658 -9.761 1.723 -4.229 1.00 24.23 H new ATOM 0 HE2 MET B 658 -8.693 1.114 -2.942 1.00 24.23 H new ATOM 0 HE3 MET B 658 -9.197 0.036 -4.266 1.00 24.23 H new ATOM 1010 N LEU B 659 -6.453 -2.839 -1.229 1.00 20.11 N ATOM 1011 CA LEU B 659 -5.521 -3.842 -1.734 1.00 41.21 C ATOM 1012 C LEU B 659 -5.300 -4.947 -0.706 1.00 15.41 C ATOM 1013 O LEU B 659 -5.383 -6.132 -1.025 1.00 71.02 O ATOM 1014 CB LEU B 659 -4.184 -3.190 -2.093 1.00 24.24 C ATOM 1015 CG LEU B 659 -4.184 -2.304 -3.339 1.00 31.05 C ATOM 1016 CD1 LEU B 659 -2.771 -1.845 -3.668 1.00 53.30 C ATOM 1017 CD2 LEU B 659 -4.795 -3.044 -4.520 1.00 23.50 C ATOM 0 H LEU B 659 -6.097 -1.883 -1.251 1.00 20.11 H new ATOM 0 HA LEU B 659 -5.955 -4.286 -2.630 1.00 41.21 H new ATOM 0 HB2 LEU B 659 -3.856 -2.590 -1.245 1.00 24.24 H new ATOM 0 HB3 LEU B 659 -3.444 -3.978 -2.232 1.00 24.24 H new ATOM 0 HG LEU B 659 -4.792 -1.423 -3.134 1.00 31.05 H new ATOM 0 HD11 LEU B 659 -2.791 -1.216 -4.558 1.00 53.30 H new ATOM 0 HD12 LEU B 659 -2.369 -1.276 -2.830 1.00 53.30 H new ATOM 0 HD13 LEU B 659 -2.140 -2.714 -3.853 1.00 53.30 H new ATOM 0 HD21 LEU B 659 -4.787 -2.398 -5.398 1.00 23.50 H new ATOM 0 HD22 LEU B 659 -4.214 -3.943 -4.726 1.00 23.50 H new ATOM 0 HD23 LEU B 659 -5.822 -3.321 -4.284 1.00 23.50 H new ATOM 1029 N GLY B 660 -5.021 -4.550 0.532 1.00 35.31 N ATOM 1030 CA GLY B 660 -4.795 -5.518 1.589 1.00 51.03 C ATOM 1031 C GLY B 660 -6.004 -6.398 1.838 1.00 21.52 C ATOM 1032 O GLY B 660 -5.901 -7.623 1.831 1.00 62.33 O ATOM 0 H GLY B 660 -4.947 -3.575 0.822 1.00 35.31 H new ATOM 0 HA2 GLY B 660 -3.942 -6.144 1.328 1.00 51.03 H new ATOM 0 HA3 GLY B 660 -4.536 -4.993 2.509 1.00 51.03 H new ATOM 1036 N GLY B 661 -7.155 -5.770 2.060 1.00 25.14 N ATOM 1037 CA GLY B 661 -8.372 -6.519 2.311 1.00 64.02 C ATOM 1038 C GLY B 661 -8.819 -7.320 1.103 1.00 50.01 C ATOM 1039 O GLY B 661 -9.411 -8.391 1.243 1.00 21.04 O ATOM 0 H GLY B 661 -7.266 -4.756 2.070 1.00 25.14 H new ATOM 0 HA2 GLY B 661 -8.213 -7.194 3.152 1.00 64.02 H new ATOM 0 HA3 GLY B 661 -9.166 -5.830 2.601 1.00 64.02 H new ATOM 1043 N THR B 662 -8.537 -6.800 -0.088 1.00 52.34 N ATOM 1044 CA THR B 662 -8.915 -7.473 -1.324 1.00 15.53 C ATOM 1045 C THR B 662 -8.030 -8.686 -1.584 1.00 62.43 C ATOM 1046 O THR B 662 -8.523 -9.797 -1.781 1.00 73.10 O ATOM 1047 CB THR B 662 -8.830 -6.520 -2.531 1.00 74.20 C ATOM 1048 OG1 THR B 662 -9.811 -5.483 -2.407 1.00 72.34 O ATOM 1049 CG2 THR B 662 -9.044 -7.275 -3.834 1.00 33.01 C ATOM 0 H THR B 662 -8.048 -5.915 -0.222 1.00 52.34 H new ATOM 0 HA THR B 662 -9.947 -7.801 -1.202 1.00 15.53 H new ATOM 0 HB THR B 662 -7.834 -6.077 -2.546 1.00 74.20 H new ATOM 0 HG1 THR B 662 -9.480 -4.790 -1.798 1.00 72.34 H new ATOM 0 HG21 THR B 662 -8.979 -6.581 -4.672 1.00 33.01 H new ATOM 0 HG22 THR B 662 -8.278 -8.043 -3.939 1.00 33.01 H new ATOM 0 HG23 THR B 662 -10.028 -7.743 -3.826 1.00 33.01 H new ATOM 1057 N PHE B 663 -6.718 -8.466 -1.585 1.00 1.44 N ATOM 1058 CA PHE B 663 -5.763 -9.541 -1.821 1.00 42.32 C ATOM 1059 C PHE B 663 -5.985 -10.692 -0.843 1.00 21.41 C ATOM 1060 O PHE B 663 -6.186 -11.837 -1.249 1.00 1.42 O ATOM 1061 CB PHE B 663 -4.332 -9.017 -1.694 1.00 75.35 C ATOM 1062 CG PHE B 663 -3.364 -9.681 -2.632 1.00 5.24 C ATOM 1063 CD1 PHE B 663 -3.228 -11.061 -2.647 1.00 20.45 C ATOM 1064 CD2 PHE B 663 -2.592 -8.926 -3.500 1.00 41.44 C ATOM 1065 CE1 PHE B 663 -2.339 -11.673 -3.508 1.00 24.32 C ATOM 1066 CE2 PHE B 663 -1.701 -9.533 -4.364 1.00 70.34 C ATOM 1067 CZ PHE B 663 -1.575 -10.909 -4.369 1.00 63.11 C ATOM 0 H PHE B 663 -6.293 -7.552 -1.425 1.00 1.44 H new ATOM 0 HA PHE B 663 -5.917 -9.914 -2.833 1.00 42.32 H new ATOM 0 HB2 PHE B 663 -4.329 -7.943 -1.882 1.00 75.35 H new ATOM 0 HB3 PHE B 663 -3.990 -9.162 -0.669 1.00 75.35 H new ATOM 0 HD1 PHE B 663 -3.824 -11.664 -1.978 1.00 20.45 H new ATOM 0 HD2 PHE B 663 -2.688 -7.850 -3.501 1.00 41.44 H new ATOM 0 HE1 PHE B 663 -2.241 -12.749 -3.508 1.00 24.32 H new ATOM 0 HE2 PHE B 663 -1.104 -8.933 -5.035 1.00 70.34 H new ATOM 0 HZ PHE B 663 -0.881 -11.386 -5.045 1.00 63.11 H new ATOM 1077 N LEU B 664 -5.946 -10.378 0.447 1.00 52.23 N ATOM 1078 CA LEU B 664 -6.143 -11.384 1.486 1.00 61.14 C ATOM 1079 C LEU B 664 -7.473 -12.108 1.298 1.00 74.41 C ATOM 1080 O LEU B 664 -7.529 -13.338 1.317 1.00 65.40 O ATOM 1081 CB LEU B 664 -6.093 -10.734 2.869 1.00 23.31 C ATOM 1082 CG LEU B 664 -4.748 -10.137 3.283 1.00 40.35 C ATOM 1083 CD1 LEU B 664 -4.729 -9.847 4.776 1.00 25.12 C ATOM 1084 CD2 LEU B 664 -3.610 -11.074 2.905 1.00 55.11 C ATOM 0 H LEU B 664 -5.780 -9.435 0.799 1.00 52.23 H new ATOM 0 HA LEU B 664 -5.339 -12.115 1.407 1.00 61.14 H new ATOM 0 HB2 LEU B 664 -6.844 -9.945 2.905 1.00 23.31 H new ATOM 0 HB3 LEU B 664 -6.380 -11.481 3.610 1.00 23.31 H new ATOM 0 HG LEU B 664 -4.610 -9.196 2.750 1.00 40.35 H new ATOM 0 HD11 LEU B 664 -3.764 -9.423 5.052 1.00 25.12 H new ATOM 0 HD12 LEU B 664 -5.520 -9.138 5.019 1.00 25.12 H new ATOM 0 HD13 LEU B 664 -4.890 -10.773 5.329 1.00 25.12 H new ATOM 0 HD21 LEU B 664 -2.660 -10.633 3.207 1.00 55.11 H new ATOM 0 HD22 LEU B 664 -3.743 -12.031 3.410 1.00 55.11 H new ATOM 0 HD23 LEU B 664 -3.611 -11.230 1.826 1.00 55.11 H new ATOM 1096 N TYR B 665 -8.538 -11.337 1.116 1.00 5.32 N ATOM 1097 CA TYR B 665 -9.868 -11.905 0.925 1.00 24.40 C ATOM 1098 C TYR B 665 -9.895 -12.834 -0.284 1.00 61.41 C ATOM 1099 O TYR B 665 -10.388 -13.959 -0.205 1.00 42.23 O ATOM 1100 CB TYR B 665 -10.901 -10.790 0.749 1.00 41.00 C ATOM 1101 CG TYR B 665 -12.210 -11.265 0.162 1.00 2.41 C ATOM 1102 CD1 TYR B 665 -12.407 -11.295 -1.213 1.00 42.42 C ATOM 1103 CD2 TYR B 665 -13.251 -11.683 0.982 1.00 61.00 C ATOM 1104 CE1 TYR B 665 -13.602 -11.729 -1.754 1.00 25.05 C ATOM 1105 CE2 TYR B 665 -14.450 -12.118 0.450 1.00 72.53 C ATOM 1106 CZ TYR B 665 -14.620 -12.139 -0.918 1.00 44.02 C ATOM 1107 OH TYR B 665 -15.813 -12.571 -1.452 1.00 62.34 O ATOM 0 H TYR B 665 -8.507 -10.318 1.097 1.00 5.32 H new ATOM 0 HA TYR B 665 -10.118 -12.486 1.812 1.00 24.40 H new ATOM 0 HB2 TYR B 665 -11.093 -10.328 1.717 1.00 41.00 H new ATOM 0 HB3 TYR B 665 -10.483 -10.017 0.104 1.00 41.00 H new ATOM 0 HD1 TYR B 665 -11.613 -10.974 -1.870 1.00 42.42 H new ATOM 0 HD2 TYR B 665 -13.121 -11.668 2.054 1.00 61.00 H new ATOM 0 HE1 TYR B 665 -13.738 -11.747 -2.825 1.00 25.05 H new ATOM 0 HE2 TYR B 665 -15.249 -12.439 1.102 1.00 72.53 H new ATOM 0 HH TYR B 665 -16.423 -12.825 -0.728 1.00 62.34 H new ATOM 1117 N TRP B 666 -9.362 -12.355 -1.402 1.00 24.51 N ATOM 1118 CA TRP B 666 -9.323 -13.142 -2.629 1.00 40.42 C ATOM 1119 C TRP B 666 -8.596 -14.463 -2.406 1.00 51.51 C ATOM 1120 O TRP B 666 -9.123 -15.532 -2.718 1.00 74.15 O ATOM 1121 CB TRP B 666 -8.639 -12.352 -3.745 1.00 23.41 C ATOM 1122 CG TRP B 666 -9.264 -12.562 -5.091 1.00 63.55 C ATOM 1123 CD1 TRP B 666 -10.336 -11.895 -5.610 1.00 64.41 C ATOM 1124 CD2 TRP B 666 -8.854 -13.505 -6.089 1.00 11.25 C ATOM 1125 NE1 TRP B 666 -10.619 -12.366 -6.870 1.00 75.22 N ATOM 1126 CE2 TRP B 666 -9.723 -13.353 -7.187 1.00 11.44 C ATOM 1127 CE3 TRP B 666 -7.837 -14.460 -6.162 1.00 51.41 C ATOM 1128 CZ2 TRP B 666 -9.606 -14.123 -8.341 1.00 23.33 C ATOM 1129 CZ3 TRP B 666 -7.721 -15.223 -7.308 1.00 1.23 C ATOM 1130 CH2 TRP B 666 -8.601 -15.051 -8.385 1.00 11.40 C ATOM 0 H TRP B 666 -8.951 -11.425 -1.484 1.00 24.51 H new ATOM 0 HA TRP B 666 -10.350 -13.359 -2.924 1.00 40.42 H new ATOM 0 HB2 TRP B 666 -8.669 -11.290 -3.500 1.00 23.41 H new ATOM 0 HB3 TRP B 666 -7.588 -12.638 -3.792 1.00 23.41 H new ATOM 0 HD1 TRP B 666 -10.882 -11.112 -5.105 1.00 64.41 H new ATOM 0 HE1 TRP B 666 -11.373 -12.035 -7.471 1.00 75.22 H new ATOM 0 HE3 TRP B 666 -7.154 -14.599 -5.337 1.00 51.41 H new ATOM 0 HZ2 TRP B 666 -10.284 -13.993 -9.172 1.00 23.33 H new ATOM 0 HZ3 TRP B 666 -6.939 -15.965 -7.375 1.00 1.23 H new ATOM 0 HH2 TRP B 666 -8.484 -15.663 -9.267 1.00 11.40 H new ATOM 1141 N ARG B 667 -7.386 -14.384 -1.864 1.00 72.21 N ATOM 1142 CA ARG B 667 -6.587 -15.574 -1.600 1.00 60.12 C ATOM 1143 C ARG B 667 -7.374 -16.585 -0.771 1.00 22.53 C ATOM 1144 O ARG B 667 -7.509 -17.746 -1.153 1.00 72.11 O ATOM 1145 CB ARG B 667 -5.295 -15.197 -0.872 1.00 52.11 C ATOM 1146 CG ARG B 667 -4.253 -14.557 -1.773 1.00 60.41 C ATOM 1147 CD ARG B 667 -3.083 -14.010 -0.970 1.00 24.11 C ATOM 1148 NE ARG B 667 -2.327 -15.071 -0.312 1.00 35.43 N ATOM 1149 CZ ARG B 667 -1.404 -15.804 -0.925 1.00 54.14 C ATOM 1150 NH1 ARG B 667 -1.126 -15.593 -2.204 1.00 21.44 N ATOM 1151 NH2 ARG B 667 -0.757 -16.753 -0.259 1.00 15.43 N ATOM 0 H ARG B 667 -6.937 -13.507 -1.599 1.00 72.21 H new ATOM 0 HA ARG B 667 -6.336 -16.031 -2.557 1.00 60.12 H new ATOM 0 HB2 ARG B 667 -5.533 -14.509 -0.060 1.00 52.11 H new ATOM 0 HB3 ARG B 667 -4.870 -16.092 -0.418 1.00 52.11 H new ATOM 0 HG2 ARG B 667 -3.891 -15.292 -2.491 1.00 60.41 H new ATOM 0 HG3 ARG B 667 -4.711 -13.751 -2.346 1.00 60.41 H new ATOM 0 HD2 ARG B 667 -2.421 -13.449 -1.630 1.00 24.11 H new ATOM 0 HD3 ARG B 667 -3.453 -13.311 -0.221 1.00 24.11 H new ATOM 0 HE ARG B 667 -2.518 -15.260 0.672 1.00 35.43 H new ATOM 0 HH11 ARG B 667 -1.621 -14.866 -2.720 1.00 21.44 H new ATOM 0 HH12 ARG B 667 -0.417 -16.158 -2.672 1.00 21.44 H new ATOM 0 HH21 ARG B 667 -0.968 -16.920 0.725 1.00 15.43 H new ATOM 0 HH22 ARG B 667 -0.049 -17.315 -0.731 1.00 15.43 H new ATOM 1165 N GLY B 668 -7.892 -16.133 0.367 1.00 10.41 N ATOM 1166 CA GLY B 668 -8.659 -17.010 1.233 1.00 3.21 C ATOM 1167 C GLY B 668 -9.922 -17.521 0.568 1.00 11.34 C ATOM 1168 O GLY B 668 -10.366 -18.637 0.838 1.00 23.22 O ATOM 0 H GLY B 668 -7.794 -15.176 0.705 1.00 10.41 H new ATOM 0 HA2 GLY B 668 -8.039 -17.857 1.528 1.00 3.21 H new ATOM 0 HA3 GLY B 668 -8.923 -16.475 2.145 1.00 3.21 H new ATOM 1172 N ARG B 669 -10.504 -16.702 -0.302 1.00 20.31 N ATOM 1173 CA ARG B 669 -11.726 -17.076 -1.004 1.00 64.22 C ATOM 1174 C ARG B 669 -11.498 -18.312 -1.869 1.00 63.02 C ATOM 1175 O ARG B 669 -12.131 -19.349 -1.667 1.00 4.02 O ATOM 1176 CB ARG B 669 -12.215 -15.915 -1.873 1.00 2.30 C ATOM 1177 CG ARG B 669 -13.516 -15.298 -1.387 1.00 22.23 C ATOM 1178 CD ARG B 669 -14.664 -16.293 -1.450 1.00 21.42 C ATOM 1179 NE ARG B 669 -14.899 -16.771 -2.810 1.00 4.41 N ATOM 1180 CZ ARG B 669 -15.937 -17.524 -3.155 1.00 12.43 C ATOM 1181 NH1 ARG B 669 -16.832 -17.884 -2.244 1.00 70.13 N ATOM 1182 NH2 ARG B 669 -16.084 -17.920 -4.413 1.00 1.12 N ATOM 0 H ARG B 669 -10.149 -15.775 -0.538 1.00 20.31 H new ATOM 0 HA ARG B 669 -12.487 -17.310 -0.260 1.00 64.22 H new ATOM 0 HB2 ARG B 669 -11.445 -15.144 -1.901 1.00 2.30 H new ATOM 0 HB3 ARG B 669 -12.350 -16.269 -2.895 1.00 2.30 H new ATOM 0 HG2 ARG B 669 -13.393 -14.948 -0.362 1.00 22.23 H new ATOM 0 HG3 ARG B 669 -13.756 -14.426 -1.995 1.00 22.23 H new ATOM 0 HD2 ARG B 669 -14.445 -17.141 -0.800 1.00 21.42 H new ATOM 0 HD3 ARG B 669 -15.571 -15.825 -1.068 1.00 21.42 H new ATOM 0 HE ARG B 669 -14.229 -16.512 -3.534 1.00 4.41 H new ATOM 0 HH11 ARG B 669 -16.724 -17.582 -1.276 1.00 70.13 H new ATOM 0 HH12 ARG B 669 -17.628 -18.462 -2.512 1.00 70.13 H new ATOM 0 HH21 ARG B 669 -15.399 -17.646 -5.117 1.00 1.12 H new ATOM 0 HH22 ARG B 669 -16.882 -18.498 -4.676 1.00 1.12 H new ATOM 1196 N ARG B 670 -10.592 -18.195 -2.835 1.00 35.12 N ATOM 1197 CA ARG B 670 -10.283 -19.301 -3.731 1.00 72.24 C ATOM 1198 C ARG B 670 -8.818 -19.713 -3.602 1.00 12.05 C ATOM 1199 O ARG B 670 -8.020 -19.503 -4.516 1.00 3.21 O ATOM 1200 CB ARG B 670 -10.589 -18.914 -5.179 1.00 74.30 C ATOM 1201 CG ARG B 670 -10.396 -17.433 -5.467 1.00 44.52 C ATOM 1202 CD ARG B 670 -10.699 -17.105 -6.920 1.00 45.03 C ATOM 1203 NE ARG B 670 -11.951 -17.710 -7.369 1.00 21.14 N ATOM 1204 CZ ARG B 670 -12.260 -17.898 -8.647 1.00 34.34 C ATOM 1205 NH1 ARG B 670 -11.412 -17.530 -9.598 1.00 13.51 N ATOM 1206 NH2 ARG B 670 -13.419 -18.454 -8.976 1.00 75.11 N ATOM 0 H ARG B 670 -10.059 -17.344 -3.016 1.00 35.12 H new ATOM 0 HA ARG B 670 -10.908 -20.149 -3.449 1.00 72.24 H new ATOM 0 HB2 ARG B 670 -9.947 -19.492 -5.844 1.00 74.30 H new ATOM 0 HB3 ARG B 670 -11.618 -19.190 -5.410 1.00 74.30 H new ATOM 0 HG2 ARG B 670 -11.046 -16.847 -4.817 1.00 44.52 H new ATOM 0 HG3 ARG B 670 -9.370 -17.146 -5.234 1.00 44.52 H new ATOM 0 HD2 ARG B 670 -10.754 -16.023 -7.043 1.00 45.03 H new ATOM 0 HD3 ARG B 670 -9.881 -17.456 -7.549 1.00 45.03 H new ATOM 0 HE ARG B 670 -12.625 -18.004 -6.662 1.00 21.14 H new ATOM 0 HH11 ARG B 670 -10.521 -17.102 -9.349 1.00 13.51 H new ATOM 0 HH12 ARG B 670 -11.651 -17.675 -10.579 1.00 13.51 H new ATOM 0 HH21 ARG B 670 -14.074 -18.738 -8.247 1.00 75.11 H new ATOM 0 HH22 ARG B 670 -13.655 -18.598 -9.958 1.00 75.11 H new ATOM 1220 N HIS B 671 -8.472 -20.299 -2.461 1.00 54.44 N ATOM 1221 CA HIS B 671 -7.105 -20.740 -2.211 1.00 61.24 C ATOM 1222 C HIS B 671 -6.856 -22.113 -2.828 1.00 60.43 C ATOM 1223 O HIS B 671 -6.448 -23.050 -2.140 1.00 21.44 O ATOM 1224 CB HIS B 671 -6.826 -20.785 -0.708 1.00 45.33 C ATOM 1225 CG HIS B 671 -7.826 -21.593 0.061 1.00 74.34 C ATOM 1226 ND1 HIS B 671 -8.980 -21.056 0.591 1.00 44.25 N ATOM 1227 CD2 HIS B 671 -7.838 -22.907 0.390 1.00 25.34 C ATOM 1228 CE1 HIS B 671 -9.659 -22.004 1.212 1.00 24.33 C ATOM 1229 NE2 HIS B 671 -8.988 -23.136 1.104 1.00 60.15 N ATOM 0 H HIS B 671 -9.120 -20.480 -1.694 1.00 54.44 H new ATOM 0 HA HIS B 671 -6.428 -20.023 -2.676 1.00 61.24 H new ATOM 0 HB2 HIS B 671 -5.832 -21.200 -0.543 1.00 45.33 H new ATOM 0 HB3 HIS B 671 -6.816 -19.767 -0.318 1.00 45.33 H new ATOM 0 HD1 HIS B 671 -9.265 -20.080 0.515 1.00 44.25 H new ATOM 0 HD2 HIS B 671 -7.084 -23.638 0.138 1.00 25.34 H new ATOM 0 HE1 HIS B 671 -10.603 -21.875 1.721 1.00 24.33 H new ATOM 1237 N HIS B 672 -7.104 -22.227 -4.130 1.00 15.45 N ATOM 1238 CA HIS B 672 -6.908 -23.485 -4.839 1.00 54.11 C ATOM 1239 C HIS B 672 -6.479 -23.235 -6.282 1.00 0.23 C ATOM 1240 O HIS B 672 -6.814 -24.006 -7.181 1.00 64.55 O ATOM 1241 CB HIS B 672 -8.191 -24.316 -4.812 1.00 40.02 C ATOM 1242 CG HIS B 672 -7.974 -25.740 -4.401 1.00 41.53 C ATOM 1243 ND1 HIS B 672 -8.312 -26.814 -5.198 1.00 24.11 N ATOM 1244 CD2 HIS B 672 -7.449 -26.266 -3.270 1.00 34.45 C ATOM 1245 CE1 HIS B 672 -8.005 -27.936 -4.574 1.00 44.42 C ATOM 1246 NE2 HIS B 672 -7.480 -27.632 -3.402 1.00 74.41 N ATOM 0 H HIS B 672 -7.441 -21.462 -4.714 1.00 15.45 H new ATOM 0 HA HIS B 672 -6.116 -24.038 -4.334 1.00 54.11 H new ATOM 0 HB2 HIS B 672 -8.900 -23.852 -4.126 1.00 40.02 H new ATOM 0 HB3 HIS B 672 -8.647 -24.298 -5.802 1.00 40.02 H new ATOM 0 HD2 HIS B 672 -7.075 -25.713 -2.421 1.00 34.45 H new ATOM 0 HE1 HIS B 672 -8.158 -28.934 -4.958 1.00 44.42 H new ATOM 0 HE2 HIS B 672 -7.151 -28.303 -2.708 1.00 74.41 H new ATOM 1254 N HIS B 673 -5.740 -22.151 -6.495 1.00 73.12 N ATOM 1255 CA HIS B 673 -5.266 -21.799 -7.828 1.00 43.35 C ATOM 1256 C HIS B 673 -3.802 -21.372 -7.790 1.00 74.05 C ATOM 1257 O HIS B 673 -2.921 -22.097 -8.254 1.00 41.33 O ATOM 1258 CB HIS B 673 -6.121 -20.676 -8.416 1.00 44.22 C ATOM 1259 CG HIS B 673 -7.391 -21.159 -9.049 1.00 61.44 C ATOM 1260 ND1 HIS B 673 -7.702 -20.937 -10.375 1.00 52.10 N ATOM 1261 CD2 HIS B 673 -8.428 -21.857 -8.532 1.00 63.11 C ATOM 1262 CE1 HIS B 673 -8.877 -21.476 -10.644 1.00 13.22 C ATOM 1263 NE2 HIS B 673 -9.339 -22.041 -9.543 1.00 31.23 N ATOM 0 H HIS B 673 -5.457 -21.501 -5.761 1.00 73.12 H new ATOM 0 HA HIS B 673 -5.352 -22.682 -8.462 1.00 43.35 H new ATOM 0 HB2 HIS B 673 -6.365 -19.965 -7.627 1.00 44.22 H new ATOM 0 HB3 HIS B 673 -5.536 -20.137 -9.161 1.00 44.22 H new ATOM 0 HD2 HIS B 673 -8.522 -22.205 -7.514 1.00 63.11 H new ATOM 0 HE1 HIS B 673 -9.376 -21.458 -11.602 1.00 13.22 H new ATOM 0 HE2 HIS B 673 -10.228 -22.534 -9.458 1.00 31.23 H new ATOM 1271 N HIS B 674 -3.549 -20.191 -7.235 1.00 64.25 N ATOM 1272 CA HIS B 674 -2.191 -19.668 -7.136 1.00 43.01 C ATOM 1273 C HIS B 674 -1.539 -19.585 -8.514 1.00 1.41 C ATOM 1274 O HIS B 674 -0.316 -19.638 -8.637 1.00 32.14 O ATOM 1275 CB HIS B 674 -1.349 -20.548 -6.213 1.00 21.33 C ATOM 1276 CG HIS B 674 -0.246 -19.807 -5.522 1.00 61.22 C ATOM 1277 ND1 HIS B 674 1.089 -20.011 -5.803 1.00 32.33 N ATOM 1278 CD2 HIS B 674 -0.285 -18.859 -4.557 1.00 1.34 C ATOM 1279 CE1 HIS B 674 1.823 -19.220 -5.041 1.00 15.53 C ATOM 1280 NE2 HIS B 674 1.013 -18.510 -4.275 1.00 25.04 N ATOM 0 H HIS B 674 -4.266 -19.578 -6.847 1.00 64.25 H new ATOM 0 HA HIS B 674 -2.245 -18.663 -6.717 1.00 43.01 H new ATOM 0 HB2 HIS B 674 -1.998 -20.999 -5.463 1.00 21.33 H new ATOM 0 HB3 HIS B 674 -0.919 -21.364 -6.795 1.00 21.33 H new ATOM 0 HD2 HIS B 674 -1.172 -18.452 -4.094 1.00 1.34 H new ATOM 0 HE1 HIS B 674 2.901 -19.163 -5.044 1.00 15.53 H new ATOM 0 HE2 HIS B 674 1.304 -17.816 -3.587 1.00 25.04 H new ATOM 1288 N HIS B 675 -2.365 -19.455 -9.547 1.00 11.45 N ATOM 1289 CA HIS B 675 -1.870 -19.365 -10.915 1.00 21.31 C ATOM 1290 C HIS B 675 -2.852 -18.603 -11.800 1.00 22.32 C ATOM 1291 O HIS B 675 -4.010 -18.402 -11.431 1.00 75.32 O ATOM 1292 CB HIS B 675 -1.629 -20.762 -11.487 1.00 71.10 C ATOM 1293 CG HIS B 675 -2.891 -21.505 -11.804 1.00 30.00 C ATOM 1294 ND1 HIS B 675 -3.396 -22.507 -11.004 1.00 12.22 N ATOM 1295 CD2 HIS B 675 -3.751 -21.385 -12.842 1.00 21.13 C ATOM 1296 CE1 HIS B 675 -4.511 -22.973 -11.536 1.00 11.23 C ATOM 1297 NE2 HIS B 675 -4.750 -22.308 -12.652 1.00 72.14 N ATOM 0 H HIS B 675 -3.380 -19.410 -9.462 1.00 11.45 H new ATOM 0 HA HIS B 675 -0.926 -18.820 -10.897 1.00 21.31 H new ATOM 0 HB2 HIS B 675 -1.030 -20.676 -12.394 1.00 71.10 H new ATOM 0 HB3 HIS B 675 -1.045 -21.342 -10.773 1.00 71.10 H new ATOM 0 HD1 HIS B 675 -2.974 -22.837 -10.136 1.00 12.22 H new ATOM 0 HD2 HIS B 675 -3.667 -20.692 -13.666 1.00 21.13 H new ATOM 0 HE1 HIS B 675 -5.123 -23.763 -11.128 1.00 11.23 H new ATOM 1305 N HIS B 676 -2.383 -18.181 -12.971 1.00 13.02 N ATOM 1306 CA HIS B 676 -3.219 -17.441 -13.908 1.00 3.45 C ATOM 1307 C HIS B 676 -3.868 -18.383 -14.917 1.00 3.10 C ATOM 1308 O HIS B 676 -5.093 -18.486 -14.986 1.00 23.15 O ATOM 1309 CB HIS B 676 -2.393 -16.383 -14.638 1.00 62.44 C ATOM 1310 CG HIS B 676 -3.007 -15.017 -14.612 1.00 12.30 C ATOM 1311 ND1 HIS B 676 -2.829 -14.132 -13.570 1.00 63.42 N ATOM 1312 CD2 HIS B 676 -3.801 -14.387 -15.509 1.00 10.21 C ATOM 1313 CE1 HIS B 676 -3.488 -13.016 -13.826 1.00 22.41 C ATOM 1314 NE2 HIS B 676 -4.086 -13.144 -14.997 1.00 51.35 N ATOM 0 H HIS B 676 -1.428 -18.340 -13.293 1.00 13.02 H new ATOM 0 HA HIS B 676 -4.007 -16.946 -13.340 1.00 3.45 H new ATOM 0 HB2 HIS B 676 -1.401 -16.335 -14.188 1.00 62.44 H new ATOM 0 HB3 HIS B 676 -2.258 -16.691 -15.675 1.00 62.44 H new ATOM 0 HD2 HIS B 676 -4.146 -14.787 -16.451 1.00 10.21 H new ATOM 0 HE1 HIS B 676 -3.531 -12.147 -13.187 1.00 22.41 H new ATOM 0 HE2 HIS B 676 -4.665 -12.436 -15.448 1.00 51.35 H new TER 1322 HIS B 676