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 HE2:sc= -0.342 K(o=-1.2,f=-3.3) USER MOD Set 1.2: B 674 HIS : no HD1:sc= -0.871 K(o=-1.2,f=-3.2) 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= -1.99 X(o=-2,f=-2.4!) USER MOD Single : A 643 THR OG1 : rot 86:sc= 0.339 USER MOD Single : A 644 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 647 THR OG1 : rot 71:sc= 0.54 USER MOD Single : A 657 MET CE :methyl -112:sc= -0.329 (180deg=-4.14!) USER MOD Single : A 658 MET CE :methyl -148:sc= -1.94 (180deg=-4.07!) USER MOD Single : A 662 THR OG1 : rot 79:sc= 1.15 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 HIS : no HE2:sc= -2.8 X(o=-2.8,f=-2.8) USER MOD Single : A 673 HIS : no HD1:sc= -0.626 K(o=-0.63,f=-0.044) USER MOD Single : A 674 HIS : no HD1:sc= -0.0558 X(o=-0.056,f=-0.27) USER MOD Single : A 675 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=-0.02) 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= -0.449 K(o=-0.45,f=-1.4) USER MOD Single : B 643 THR OG1 : rot 87:sc= 0.37 USER MOD Single : B 644 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 647 THR OG1 : rot 68:sc= 0.475 USER MOD Single : B 657 MET CE :methyl -114:sc= -0.351 (180deg=-4.2!) USER MOD Single : B 658 MET CE :methyl -148:sc= -1.88 (180deg=-3.96!) USER MOD Single : B 662 THR OG1 : rot 81:sc= 1.14 USER MOD Single : B 665 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 672 HIS : no HD1:sc= -0.275 X(o=-0.27,f=-0.28) USER MOD Single : B 673 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 675 HIS : no HD1:sc=-0.00883 X(o=-0.0088,f=-0.28) USER MOD Single : B 676 HIS : no HD1:sc= -0.322 K(o=-0.32,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 637 2.041 31.024 8.292 1.00 11.34 N ATOM 2 CA MET A 637 1.344 30.290 7.241 1.00 34.01 C ATOM 3 C MET A 637 1.306 28.798 7.555 1.00 0.22 C ATOM 4 O MET A 637 0.416 28.080 7.098 1.00 31.25 O ATOM 5 CB MET A 637 2.025 30.522 5.891 1.00 11.11 C ATOM 6 CG MET A 637 1.720 31.881 5.282 1.00 14.24 C ATOM 7 SD MET A 637 2.225 31.998 3.555 1.00 52.41 S ATOM 8 CE MET A 637 1.360 33.482 3.050 1.00 64.53 C ATOM 0 HA MET A 637 0.320 30.659 7.191 1.00 34.01 H new ATOM 0 HB2 MET A 637 3.103 30.423 6.015 1.00 11.11 H new ATOM 0 HB3 MET A 637 1.711 29.743 5.196 1.00 11.11 H new ATOM 0 HG2 MET A 637 0.650 32.077 5.358 1.00 14.24 H new ATOM 0 HG3 MET A 637 2.227 32.655 5.858 1.00 14.24 H new ATOM 0 HE1 MET A 637 1.573 33.688 2.001 1.00 64.53 H new ATOM 0 HE2 MET A 637 0.287 33.341 3.182 1.00 64.53 H new ATOM 0 HE3 MET A 637 1.693 34.322 3.659 1.00 64.53 H new ATOM 18 N GLY A 638 2.277 28.336 8.338 1.00 30.02 N ATOM 19 CA GLY A 638 2.335 26.932 8.698 1.00 2.45 C ATOM 20 C GLY A 638 3.314 26.154 7.843 1.00 70.15 C ATOM 21 O GLY A 638 2.984 25.737 6.732 1.00 21.13 O ATOM 0 H GLY A 638 3.024 28.910 8.729 1.00 30.02 H new ATOM 0 HA2 GLY A 638 2.620 26.840 9.746 1.00 2.45 H new ATOM 0 HA3 GLY A 638 1.342 26.493 8.598 1.00 2.45 H new ATOM 25 N ARG A 639 4.523 25.959 8.359 1.00 52.55 N ATOM 26 CA ARG A 639 5.555 25.228 7.634 1.00 44.45 C ATOM 27 C ARG A 639 5.971 23.973 8.395 1.00 11.10 C ATOM 28 O ARG A 639 6.488 23.021 7.811 1.00 54.12 O ATOM 29 CB ARG A 639 6.774 26.122 7.398 1.00 52.40 C ATOM 30 CG ARG A 639 6.505 27.281 6.453 1.00 12.22 C ATOM 31 CD ARG A 639 5.988 26.795 5.108 1.00 74.24 C ATOM 32 NE ARG A 639 5.923 27.873 4.125 1.00 73.34 N ATOM 33 CZ ARG A 639 5.265 27.781 2.975 1.00 50.34 C ATOM 34 NH1 ARG A 639 4.617 26.665 2.666 1.00 61.10 N ATOM 35 NH2 ARG A 639 5.252 28.804 2.132 1.00 60.54 N ATOM 0 H ARG A 639 4.812 26.297 9.277 1.00 52.55 H new ATOM 0 HA ARG A 639 5.142 24.927 6.671 1.00 44.45 H new ATOM 0 HB2 ARG A 639 7.116 26.516 8.355 1.00 52.40 H new ATOM 0 HB3 ARG A 639 7.586 25.516 6.995 1.00 52.40 H new ATOM 0 HG2 ARG A 639 5.776 27.956 6.902 1.00 12.22 H new ATOM 0 HG3 ARG A 639 7.421 27.853 6.307 1.00 12.22 H new ATOM 0 HD2 ARG A 639 6.637 26.003 4.735 1.00 74.24 H new ATOM 0 HD3 ARG A 639 4.996 26.361 5.236 1.00 74.24 H new ATOM 0 HE ARG A 639 6.410 28.745 4.333 1.00 73.34 H new ATOM 0 HH11 ARG A 639 4.624 25.876 3.312 1.00 61.10 H new ATOM 0 HH12 ARG A 639 4.112 26.596 1.782 1.00 61.10 H new ATOM 0 HH21 ARG A 639 5.748 29.664 2.366 1.00 60.54 H new ATOM 0 HH22 ARG A 639 4.746 28.731 1.249 1.00 60.54 H new ATOM 49 N THR A 640 5.741 23.979 9.705 1.00 40.42 N ATOM 50 CA THR A 640 6.093 22.843 10.548 1.00 72.42 C ATOM 51 C THR A 640 5.112 21.692 10.358 1.00 24.21 C ATOM 52 O THR A 640 5.478 20.523 10.484 1.00 15.32 O ATOM 53 CB THR A 640 6.122 23.236 12.037 1.00 62.42 C ATOM 54 OG1 THR A 640 7.067 24.292 12.247 1.00 64.32 O ATOM 55 CG2 THR A 640 6.489 22.041 12.905 1.00 21.43 C ATOM 0 H THR A 640 5.312 24.758 10.205 1.00 40.42 H new ATOM 0 HA THR A 640 7.089 22.522 10.245 1.00 72.42 H new ATOM 0 HB THR A 640 5.126 23.578 12.319 1.00 62.42 H new ATOM 0 HG1 THR A 640 7.078 24.537 13.196 1.00 64.32 H new ATOM 0 HG21 THR A 640 6.503 22.343 13.952 1.00 21.43 H new ATOM 0 HG22 THR A 640 5.752 21.250 12.765 1.00 21.43 H new ATOM 0 HG23 THR A 640 7.475 21.673 12.620 1.00 21.43 H new ATOM 63 N HIS A 641 3.863 22.030 10.051 1.00 71.34 N ATOM 64 CA HIS A 641 2.829 21.023 9.841 1.00 41.15 C ATOM 65 C HIS A 641 3.161 20.145 8.638 1.00 0.43 C ATOM 66 O HIS A 641 2.562 19.085 8.445 1.00 32.50 O ATOM 67 CB HIS A 641 1.469 21.693 9.639 1.00 60.04 C ATOM 68 CG HIS A 641 1.304 22.314 8.286 1.00 44.50 C ATOM 69 ND1 HIS A 641 1.003 21.585 7.154 1.00 32.22 N ATOM 70 CD2 HIS A 641 1.395 23.604 7.888 1.00 25.41 C ATOM 71 CE1 HIS A 641 0.920 22.400 6.118 1.00 43.13 C ATOM 72 NE2 HIS A 641 1.153 23.631 6.536 1.00 40.20 N ATOM 0 H HIS A 641 3.543 22.992 9.942 1.00 71.34 H new ATOM 0 HA HIS A 641 2.786 20.391 10.728 1.00 41.15 H new ATOM 0 HB2 HIS A 641 0.683 20.953 9.789 1.00 60.04 H new ATOM 0 HB3 HIS A 641 1.334 22.460 10.401 1.00 60.04 H new ATOM 0 HD2 HIS A 641 1.617 24.454 8.516 1.00 25.41 H new ATOM 0 HE1 HIS A 641 0.699 22.109 5.102 1.00 43.13 H new ATOM 0 HE2 HIS A 641 1.153 24.466 5.950 1.00 40.20 H new ATOM 80 N LEU A 642 4.117 20.592 7.831 1.00 13.24 N ATOM 81 CA LEU A 642 4.529 19.848 6.647 1.00 65.20 C ATOM 82 C LEU A 642 5.289 18.584 7.034 1.00 71.52 C ATOM 83 O LEU A 642 5.220 17.567 6.343 1.00 11.21 O ATOM 84 CB LEU A 642 5.399 20.725 5.745 1.00 31.35 C ATOM 85 CG LEU A 642 4.653 21.691 4.825 1.00 33.22 C ATOM 86 CD1 LEU A 642 5.532 22.883 4.477 1.00 44.41 C ATOM 87 CD2 LEU A 642 4.194 20.978 3.563 1.00 65.01 C ATOM 0 H LEU A 642 4.621 21.467 7.976 1.00 13.24 H new ATOM 0 HA LEU A 642 3.631 19.556 6.102 1.00 65.20 H new ATOM 0 HB2 LEU A 642 6.073 21.304 6.376 1.00 31.35 H new ATOM 0 HB3 LEU A 642 6.019 20.074 5.129 1.00 31.35 H new ATOM 0 HG LEU A 642 3.772 22.057 5.352 1.00 33.22 H new ATOM 0 HD11 LEU A 642 4.984 23.560 3.821 1.00 44.41 H new ATOM 0 HD12 LEU A 642 5.810 23.409 5.390 1.00 44.41 H new ATOM 0 HD13 LEU A 642 6.432 22.536 3.970 1.00 44.41 H new ATOM 0 HD21 LEU A 642 3.665 21.681 2.920 1.00 65.01 H new ATOM 0 HD22 LEU A 642 5.060 20.583 3.033 1.00 65.01 H new ATOM 0 HD23 LEU A 642 3.527 20.158 3.830 1.00 65.01 H new ATOM 99 N THR A 643 6.016 18.654 8.146 1.00 63.34 N ATOM 100 CA THR A 643 6.789 17.517 8.626 1.00 75.03 C ATOM 101 C THR A 643 5.887 16.323 8.917 1.00 41.35 C ATOM 102 O THR A 643 6.110 15.226 8.406 1.00 42.04 O ATOM 103 CB THR A 643 7.579 17.872 9.900 1.00 63.12 C ATOM 104 OG1 THR A 643 8.090 19.205 9.804 1.00 65.42 O ATOM 105 CG2 THR A 643 8.727 16.897 10.114 1.00 14.34 C ATOM 0 H THR A 643 6.085 19.487 8.730 1.00 63.34 H new ATOM 0 HA THR A 643 7.491 17.255 7.834 1.00 75.03 H new ATOM 0 HB THR A 643 6.902 17.804 10.752 1.00 63.12 H new ATOM 0 HG1 THR A 643 7.406 19.840 10.103 1.00 65.42 H new ATOM 0 HG21 THR A 643 9.270 17.168 11.019 1.00 14.34 H new ATOM 0 HG22 THR A 643 8.332 15.886 10.217 1.00 14.34 H new ATOM 0 HG23 THR A 643 9.403 16.937 9.260 1.00 14.34 H new ATOM 113 N MET A 644 4.869 16.543 9.742 1.00 44.31 N ATOM 114 CA MET A 644 3.931 15.484 10.099 1.00 64.34 C ATOM 115 C MET A 644 3.158 15.007 8.873 1.00 74.25 C ATOM 116 O MET A 644 3.063 13.807 8.617 1.00 53.01 O ATOM 117 CB MET A 644 2.957 15.976 11.171 1.00 55.02 C ATOM 118 CG MET A 644 3.623 16.272 12.506 1.00 2.01 C ATOM 119 SD MET A 644 3.689 14.830 13.585 1.00 43.42 S ATOM 120 CE MET A 644 5.203 15.149 14.486 1.00 31.04 C ATOM 0 H MET A 644 4.672 17.445 10.176 1.00 44.31 H new ATOM 0 HA MET A 644 4.502 14.645 10.496 1.00 64.34 H new ATOM 0 HB2 MET A 644 2.461 16.878 10.813 1.00 55.02 H new ATOM 0 HB3 MET A 644 2.182 15.224 11.319 1.00 55.02 H new ATOM 0 HG2 MET A 644 4.635 16.635 12.330 1.00 2.01 H new ATOM 0 HG3 MET A 644 3.080 17.072 13.009 1.00 2.01 H new ATOM 0 HE1 MET A 644 5.381 14.341 15.196 1.00 31.04 H new ATOM 0 HE2 MET A 644 6.037 15.208 13.787 1.00 31.04 H new ATOM 0 HE3 MET A 644 5.114 16.092 15.025 1.00 31.04 H new ATOM 130 N ALA A 645 2.607 15.954 8.121 1.00 74.33 N ATOM 131 CA ALA A 645 1.844 15.628 6.922 1.00 34.23 C ATOM 132 C ALA A 645 2.691 14.843 5.928 1.00 72.23 C ATOM 133 O ALA A 645 2.215 13.893 5.305 1.00 21.00 O ATOM 134 CB ALA A 645 1.311 16.899 6.276 1.00 51.10 C ATOM 0 H ALA A 645 2.674 16.952 8.320 1.00 74.33 H new ATOM 0 HA ALA A 645 1.002 15.001 7.216 1.00 34.23 H new ATOM 0 HB1 ALA A 645 0.743 16.642 5.382 1.00 51.10 H new ATOM 0 HB2 ALA A 645 0.663 17.421 6.980 1.00 51.10 H new ATOM 0 HB3 ALA A 645 2.145 17.546 6.003 1.00 51.10 H new ATOM 140 N LEU A 646 3.950 15.243 5.783 1.00 73.31 N ATOM 141 CA LEU A 646 4.865 14.576 4.863 1.00 13.44 C ATOM 142 C LEU A 646 5.075 13.120 5.264 1.00 54.51 C ATOM 143 O LEU A 646 5.075 12.224 4.419 1.00 72.51 O ATOM 144 CB LEU A 646 6.208 15.306 4.830 1.00 33.50 C ATOM 145 CG LEU A 646 6.303 16.494 3.871 1.00 72.11 C ATOM 146 CD1 LEU A 646 7.335 17.496 4.363 1.00 55.20 C ATOM 147 CD2 LEU A 646 6.646 16.019 2.466 1.00 51.11 C ATOM 0 H LEU A 646 4.360 16.026 6.291 1.00 73.31 H new ATOM 0 HA LEU A 646 4.421 14.599 3.868 1.00 13.44 H new ATOM 0 HB2 LEU A 646 6.432 15.659 5.837 1.00 33.50 H new ATOM 0 HB3 LEU A 646 6.983 14.587 4.564 1.00 33.50 H new ATOM 0 HG LEU A 646 5.332 16.989 3.839 1.00 72.11 H new ATOM 0 HD11 LEU A 646 7.389 18.334 3.668 1.00 55.20 H new ATOM 0 HD12 LEU A 646 7.047 17.860 5.349 1.00 55.20 H new ATOM 0 HD13 LEU A 646 8.310 17.013 4.425 1.00 55.20 H new ATOM 0 HD21 LEU A 646 6.710 16.877 1.797 1.00 51.11 H new ATOM 0 HD22 LEU A 646 7.604 15.499 2.481 1.00 51.11 H new ATOM 0 HD23 LEU A 646 5.870 15.340 2.112 1.00 51.11 H new ATOM 159 N THR A 647 5.250 12.887 6.562 1.00 23.13 N ATOM 160 CA THR A 647 5.459 11.540 7.077 1.00 31.20 C ATOM 161 C THR A 647 4.265 10.643 6.772 1.00 1.24 C ATOM 162 O THR A 647 4.428 9.495 6.360 1.00 4.20 O ATOM 163 CB THR A 647 5.704 11.551 8.598 1.00 24.22 C ATOM 164 OG1 THR A 647 6.831 12.380 8.907 1.00 44.13 O ATOM 165 CG2 THR A 647 5.946 10.142 9.116 1.00 34.33 C ATOM 0 H THR A 647 5.251 13.616 7.276 1.00 23.13 H new ATOM 0 HA THR A 647 6.343 11.145 6.577 1.00 31.20 H new ATOM 0 HB THR A 647 4.815 11.952 9.085 1.00 24.22 H new ATOM 0 HG1 THR A 647 6.596 13.320 8.758 1.00 44.13 H new ATOM 0 HG21 THR A 647 6.117 10.174 10.192 1.00 34.33 H new ATOM 0 HG22 THR A 647 5.075 9.522 8.905 1.00 34.33 H new ATOM 0 HG23 THR A 647 6.821 9.718 8.623 1.00 34.33 H new ATOM 173 N VAL A 648 3.064 11.176 6.977 1.00 64.41 N ATOM 174 CA VAL A 648 1.842 10.424 6.722 1.00 4.21 C ATOM 175 C VAL A 648 1.734 10.029 5.253 1.00 70.55 C ATOM 176 O VAL A 648 1.513 8.862 4.928 1.00 42.21 O ATOM 177 CB VAL A 648 0.592 11.234 7.116 1.00 11.40 C ATOM 178 CG1 VAL A 648 -0.674 10.474 6.751 1.00 71.13 C ATOM 179 CG2 VAL A 648 0.617 11.562 8.601 1.00 55.41 C ATOM 0 H VAL A 648 2.912 12.125 7.319 1.00 64.41 H new ATOM 0 HA VAL A 648 1.892 9.524 7.335 1.00 4.21 H new ATOM 0 HB VAL A 648 0.597 12.171 6.560 1.00 11.40 H new ATOM 0 HG11 VAL A 648 -1.546 11.062 7.037 1.00 71.13 H new ATOM 0 HG12 VAL A 648 -0.694 10.295 5.676 1.00 71.13 H new ATOM 0 HG13 VAL A 648 -0.691 9.520 7.278 1.00 71.13 H new ATOM 0 HG21 VAL A 648 -0.273 12.134 8.862 1.00 55.41 H new ATOM 0 HG22 VAL A 648 0.636 10.637 9.178 1.00 55.41 H new ATOM 0 HG23 VAL A 648 1.506 12.150 8.829 1.00 55.41 H new ATOM 189 N ILE A 649 1.895 11.009 4.370 1.00 63.34 N ATOM 190 CA ILE A 649 1.819 10.763 2.935 1.00 0.32 C ATOM 191 C ILE A 649 2.897 9.782 2.487 1.00 61.22 C ATOM 192 O ILE A 649 2.618 8.823 1.768 1.00 74.11 O ATOM 193 CB ILE A 649 1.962 12.069 2.131 1.00 51.11 C ATOM 194 CG1 ILE A 649 0.842 13.045 2.498 1.00 73.12 C ATOM 195 CG2 ILE A 649 1.951 11.777 0.639 1.00 4.35 C ATOM 196 CD1 ILE A 649 0.921 14.361 1.757 1.00 44.32 C ATOM 0 H ILE A 649 2.079 11.980 4.623 1.00 63.34 H new ATOM 0 HA ILE A 649 0.837 10.333 2.741 1.00 0.32 H new ATOM 0 HB ILE A 649 2.917 12.531 2.383 1.00 51.11 H new ATOM 0 HG12 ILE A 649 -0.120 12.577 2.289 1.00 73.12 H new ATOM 0 HG13 ILE A 649 0.876 13.238 3.570 1.00 73.12 H new ATOM 0 HG21 ILE A 649 2.053 12.710 0.085 1.00 4.35 H new ATOM 0 HG22 ILE A 649 2.781 11.116 0.392 1.00 4.35 H new ATOM 0 HG23 ILE A 649 1.011 11.296 0.369 1.00 4.35 H new ATOM 0 HD11 ILE A 649 0.096 15.003 2.067 1.00 44.32 H new ATOM 0 HD12 ILE A 649 1.868 14.851 1.985 1.00 44.32 H new ATOM 0 HD13 ILE A 649 0.856 14.179 0.684 1.00 44.32 H new ATOM 208 N ALA A 650 4.130 10.030 2.917 1.00 72.11 N ATOM 209 CA ALA A 650 5.251 9.167 2.564 1.00 4.53 C ATOM 210 C ALA A 650 5.045 7.754 3.100 1.00 4.23 C ATOM 211 O ALA A 650 5.311 6.772 2.408 1.00 61.22 O ATOM 212 CB ALA A 650 6.553 9.750 3.092 1.00 43.55 C ATOM 0 H ALA A 650 4.378 10.822 3.510 1.00 72.11 H new ATOM 0 HA ALA A 650 5.306 9.111 1.477 1.00 4.53 H new ATOM 0 HB1 ALA A 650 7.381 9.095 2.821 1.00 43.55 H new ATOM 0 HB2 ALA A 650 6.713 10.736 2.657 1.00 43.55 H new ATOM 0 HB3 ALA A 650 6.499 9.837 4.177 1.00 43.55 H new ATOM 218 N GLY A 651 4.570 7.659 4.338 1.00 45.41 N ATOM 219 CA GLY A 651 4.338 6.361 4.946 1.00 23.42 C ATOM 220 C GLY A 651 3.400 5.497 4.128 1.00 22.04 C ATOM 221 O GLY A 651 3.708 4.342 3.830 1.00 14.11 O ATOM 0 H GLY A 651 4.342 8.457 4.931 1.00 45.41 H new ATOM 0 HA2 GLY A 651 5.290 5.844 5.067 1.00 23.42 H new ATOM 0 HA3 GLY A 651 3.922 6.500 5.944 1.00 23.42 H new ATOM 225 N LEU A 652 2.251 6.054 3.763 1.00 13.04 N ATOM 226 CA LEU A 652 1.262 5.326 2.975 1.00 54.20 C ATOM 227 C LEU A 652 1.851 4.881 1.640 1.00 62.31 C ATOM 228 O LEU A 652 1.743 3.716 1.260 1.00 42.12 O ATOM 229 CB LEU A 652 0.028 6.198 2.735 1.00 35.21 C ATOM 230 CG LEU A 652 -0.739 6.632 3.985 1.00 74.21 C ATOM 231 CD1 LEU A 652 -1.848 7.606 3.618 1.00 12.21 C ATOM 232 CD2 LEU A 652 -1.308 5.421 4.709 1.00 13.23 C ATOM 0 H LEU A 652 1.981 7.008 4.000 1.00 13.04 H new ATOM 0 HA LEU A 652 0.968 4.439 3.536 1.00 54.20 H new ATOM 0 HB2 LEU A 652 0.339 7.092 2.195 1.00 35.21 H new ATOM 0 HB3 LEU A 652 -0.656 5.654 2.084 1.00 35.21 H new ATOM 0 HG LEU A 652 -0.046 7.138 4.657 1.00 74.21 H new ATOM 0 HD11 LEU A 652 -2.383 7.904 4.519 1.00 12.21 H new ATOM 0 HD12 LEU A 652 -1.416 8.487 3.144 1.00 12.21 H new ATOM 0 HD13 LEU A 652 -2.541 7.125 2.927 1.00 12.21 H new ATOM 0 HD21 LEU A 652 -1.850 5.749 5.596 1.00 13.23 H new ATOM 0 HD22 LEU A 652 -1.987 4.886 4.045 1.00 13.23 H new ATOM 0 HD23 LEU A 652 -0.494 4.759 5.005 1.00 13.23 H new ATOM 244 N VAL A 653 2.477 5.817 0.933 1.00 32.04 N ATOM 245 CA VAL A 653 3.086 5.522 -0.357 1.00 71.24 C ATOM 246 C VAL A 653 4.070 4.362 -0.248 1.00 33.53 C ATOM 247 O VAL A 653 3.999 3.399 -1.010 1.00 42.11 O ATOM 248 CB VAL A 653 3.819 6.750 -0.927 1.00 30.22 C ATOM 249 CG1 VAL A 653 4.682 6.354 -2.115 1.00 75.42 C ATOM 250 CG2 VAL A 653 2.822 7.831 -1.318 1.00 44.22 C ATOM 0 H VAL A 653 2.575 6.787 1.233 1.00 32.04 H new ATOM 0 HA VAL A 653 2.276 5.246 -1.033 1.00 71.24 H new ATOM 0 HB VAL A 653 4.472 7.153 -0.153 1.00 30.22 H new ATOM 0 HG11 VAL A 653 5.192 7.235 -2.504 1.00 75.42 H new ATOM 0 HG12 VAL A 653 5.421 5.617 -1.799 1.00 75.42 H new ATOM 0 HG13 VAL A 653 4.053 5.925 -2.895 1.00 75.42 H new ATOM 0 HG21 VAL A 653 3.357 8.692 -1.719 1.00 44.22 H new ATOM 0 HG22 VAL A 653 2.142 7.442 -2.075 1.00 44.22 H new ATOM 0 HG23 VAL A 653 2.252 8.135 -0.440 1.00 44.22 H new ATOM 260 N VAL A 654 4.989 4.461 0.707 1.00 31.43 N ATOM 261 CA VAL A 654 5.988 3.420 0.919 1.00 31.54 C ATOM 262 C VAL A 654 5.329 2.064 1.138 1.00 72.42 C ATOM 263 O VAL A 654 5.840 1.035 0.694 1.00 24.21 O ATOM 264 CB VAL A 654 6.888 3.743 2.127 1.00 32.24 C ATOM 265 CG1 VAL A 654 7.886 2.620 2.364 1.00 34.43 C ATOM 266 CG2 VAL A 654 7.604 5.069 1.918 1.00 55.23 C ATOM 0 H VAL A 654 5.063 5.252 1.347 1.00 31.43 H new ATOM 0 HA VAL A 654 6.602 3.382 0.019 1.00 31.54 H new ATOM 0 HB VAL A 654 6.260 3.831 3.013 1.00 32.24 H new ATOM 0 HG11 VAL A 654 8.513 2.865 3.221 1.00 34.43 H new ATOM 0 HG12 VAL A 654 7.349 1.692 2.561 1.00 34.43 H new ATOM 0 HG13 VAL A 654 8.512 2.497 1.480 1.00 34.43 H new ATOM 0 HG21 VAL A 654 8.235 5.282 2.781 1.00 55.23 H new ATOM 0 HG22 VAL A 654 8.222 5.012 1.022 1.00 55.23 H new ATOM 0 HG23 VAL A 654 6.869 5.865 1.802 1.00 55.23 H new ATOM 276 N ILE A 655 4.192 2.068 1.826 1.00 61.43 N ATOM 277 CA ILE A 655 3.462 0.837 2.101 1.00 30.23 C ATOM 278 C ILE A 655 2.899 0.232 0.820 1.00 42.00 C ATOM 279 O ILE A 655 3.124 -0.942 0.524 1.00 2.35 O ATOM 280 CB ILE A 655 2.309 1.077 3.093 1.00 1.24 C ATOM 281 CG1 ILE A 655 2.858 1.513 4.453 1.00 41.22 C ATOM 282 CG2 ILE A 655 1.462 -0.179 3.235 1.00 75.30 C ATOM 283 CD1 ILE A 655 1.882 2.337 5.263 1.00 21.23 C ATOM 0 H ILE A 655 3.757 2.910 2.203 1.00 61.43 H new ATOM 0 HA ILE A 655 4.174 0.141 2.545 1.00 30.23 H new ATOM 0 HB ILE A 655 1.677 1.876 2.705 1.00 1.24 H new ATOM 0 HG12 ILE A 655 3.135 0.627 5.025 1.00 41.22 H new ATOM 0 HG13 ILE A 655 3.769 2.091 4.299 1.00 41.22 H new ATOM 0 HG21 ILE A 655 0.651 0.007 3.939 1.00 75.30 H new ATOM 0 HG22 ILE A 655 1.045 -0.448 2.265 1.00 75.30 H new ATOM 0 HG23 ILE A 655 2.082 -0.996 3.603 1.00 75.30 H new ATOM 0 HD11 ILE A 655 2.339 2.611 6.214 1.00 21.23 H new ATOM 0 HD12 ILE A 655 1.623 3.241 4.711 1.00 21.23 H new ATOM 0 HD13 ILE A 655 0.980 1.754 5.448 1.00 21.23 H new ATOM 295 N PHE A 656 2.167 1.043 0.061 1.00 55.43 N ATOM 296 CA PHE A 656 1.572 0.588 -1.190 1.00 54.40 C ATOM 297 C PHE A 656 2.645 0.089 -2.153 1.00 74.41 C ATOM 298 O PHE A 656 2.463 -0.920 -2.833 1.00 61.23 O ATOM 299 CB PHE A 656 0.774 1.720 -1.839 1.00 43.43 C ATOM 300 CG PHE A 656 0.392 1.442 -3.266 1.00 73.53 C ATOM 301 CD1 PHE A 656 -0.025 0.178 -3.651 1.00 4.10 C ATOM 302 CD2 PHE A 656 0.452 2.444 -4.220 1.00 31.33 C ATOM 303 CE1 PHE A 656 -0.375 -0.080 -4.964 1.00 30.05 C ATOM 304 CE2 PHE A 656 0.103 2.192 -5.533 1.00 43.31 C ATOM 305 CZ PHE A 656 -0.312 0.929 -5.906 1.00 51.51 C ATOM 0 H PHE A 656 1.972 2.017 0.291 1.00 55.43 H new ATOM 0 HA PHE A 656 0.899 -0.239 -0.965 1.00 54.40 H new ATOM 0 HB2 PHE A 656 -0.130 1.897 -1.257 1.00 43.43 H new ATOM 0 HB3 PHE A 656 1.362 2.637 -1.801 1.00 43.43 H new ATOM 0 HD1 PHE A 656 -0.077 -0.614 -2.918 1.00 4.10 H new ATOM 0 HD2 PHE A 656 0.775 3.434 -3.934 1.00 31.33 H new ATOM 0 HE1 PHE A 656 -0.697 -1.069 -5.253 1.00 30.05 H new ATOM 0 HE2 PHE A 656 0.155 2.982 -6.267 1.00 43.31 H new ATOM 0 HZ PHE A 656 -0.587 0.730 -6.931 1.00 51.51 H new ATOM 315 N MET A 657 3.764 0.804 -2.204 1.00 31.13 N ATOM 316 CA MET A 657 4.868 0.434 -3.083 1.00 13.40 C ATOM 317 C MET A 657 5.567 -0.823 -2.577 1.00 74.15 C ATOM 318 O MET A 657 5.696 -1.809 -3.304 1.00 34.04 O ATOM 319 CB MET A 657 5.871 1.583 -3.188 1.00 21.31 C ATOM 320 CG MET A 657 5.318 2.811 -3.893 1.00 42.40 C ATOM 321 SD MET A 657 6.605 3.805 -4.671 1.00 31.54 S ATOM 322 CE MET A 657 7.409 4.505 -3.232 1.00 11.11 C ATOM 0 H MET A 657 3.931 1.642 -1.648 1.00 31.13 H new ATOM 0 HA MET A 657 4.459 0.227 -4.072 1.00 13.40 H new ATOM 0 HB2 MET A 657 6.194 1.865 -2.186 1.00 21.31 H new ATOM 0 HB3 MET A 657 6.755 1.235 -3.722 1.00 21.31 H new ATOM 0 HG2 MET A 657 4.599 2.497 -4.650 1.00 42.40 H new ATOM 0 HG3 MET A 657 4.776 3.425 -3.174 1.00 42.40 H new ATOM 0 HE1 MET A 657 7.225 5.579 -3.199 1.00 11.11 H new ATOM 0 HE2 MET A 657 7.010 4.041 -2.330 1.00 11.11 H new ATOM 0 HE3 MET A 657 8.482 4.322 -3.290 1.00 11.11 H new ATOM 332 N MET A 658 6.019 -0.782 -1.328 1.00 11.50 N ATOM 333 CA MET A 658 6.705 -1.919 -0.725 1.00 53.03 C ATOM 334 C MET A 658 5.830 -3.168 -0.768 1.00 4.23 C ATOM 335 O MET A 658 6.252 -4.218 -1.252 1.00 75.33 O ATOM 336 CB MET A 658 7.090 -1.602 0.721 1.00 24.43 C ATOM 337 CG MET A 658 8.302 -0.691 0.841 1.00 42.22 C ATOM 338 SD MET A 658 9.037 -0.727 2.487 1.00 74.13 S ATOM 339 CE MET A 658 7.571 -0.661 3.515 1.00 45.02 C ATOM 0 H MET A 658 5.923 0.026 -0.714 1.00 11.50 H new ATOM 0 HA MET A 658 7.610 -2.111 -1.301 1.00 53.03 H new ATOM 0 HB2 MET A 658 6.242 -1.133 1.220 1.00 24.43 H new ATOM 0 HB3 MET A 658 7.293 -2.535 1.247 1.00 24.43 H new ATOM 0 HG2 MET A 658 9.050 -0.989 0.107 1.00 42.22 H new ATOM 0 HG3 MET A 658 8.009 0.331 0.600 1.00 42.22 H new ATOM 0 HE1 MET A 658 7.798 -0.128 4.438 1.00 45.02 H new ATOM 0 HE2 MET A 658 6.775 -0.141 2.981 1.00 45.02 H new ATOM 0 HE3 MET A 658 7.247 -1.674 3.752 1.00 45.02 H new ATOM 349 N LEU A 659 4.608 -3.046 -0.259 1.00 51.22 N ATOM 350 CA LEU A 659 3.673 -4.166 -0.240 1.00 33.44 C ATOM 351 C LEU A 659 3.477 -4.736 -1.641 1.00 54.32 C ATOM 352 O LEU A 659 3.575 -5.944 -1.848 1.00 50.45 O ATOM 353 CB LEU A 659 2.326 -3.720 0.335 1.00 63.51 C ATOM 354 CG LEU A 659 2.296 -3.447 1.839 1.00 14.32 C ATOM 355 CD1 LEU A 659 0.875 -3.165 2.302 1.00 24.22 C ATOM 356 CD2 LEU A 659 2.885 -4.622 2.607 1.00 61.34 C ATOM 0 H LEU A 659 4.242 -2.184 0.145 1.00 51.22 H new ATOM 0 HA LEU A 659 4.092 -4.947 0.394 1.00 33.44 H new ATOM 0 HB2 LEU A 659 2.014 -2.814 -0.185 1.00 63.51 H new ATOM 0 HB3 LEU A 659 1.586 -4.488 0.110 1.00 63.51 H new ATOM 0 HG LEU A 659 2.904 -2.565 2.040 1.00 14.32 H new ATOM 0 HD11 LEU A 659 0.873 -2.973 3.375 1.00 24.22 H new ATOM 0 HD12 LEU A 659 0.488 -2.292 1.777 1.00 24.22 H new ATOM 0 HD13 LEU A 659 0.244 -4.028 2.087 1.00 24.22 H new ATOM 0 HD21 LEU A 659 2.855 -4.410 3.676 1.00 61.34 H new ATOM 0 HD22 LEU A 659 2.304 -5.520 2.399 1.00 61.34 H new ATOM 0 HD23 LEU A 659 3.918 -4.778 2.297 1.00 61.34 H new ATOM 368 N GLY A 660 3.202 -3.857 -2.599 1.00 63.33 N ATOM 369 CA GLY A 660 2.999 -4.293 -3.968 1.00 22.21 C ATOM 370 C GLY A 660 4.222 -4.975 -4.547 1.00 64.32 C ATOM 371 O GLY A 660 4.133 -6.084 -5.074 1.00 34.13 O ATOM 0 H GLY A 660 3.116 -2.851 -2.452 1.00 63.33 H new ATOM 0 HA2 GLY A 660 2.153 -4.979 -4.006 1.00 22.21 H new ATOM 0 HA3 GLY A 660 2.740 -3.433 -4.585 1.00 22.21 H new ATOM 375 N GLY A 661 5.370 -4.311 -4.452 1.00 52.32 N ATOM 376 CA GLY A 661 6.601 -4.875 -4.976 1.00 13.42 C ATOM 377 C GLY A 661 7.038 -6.114 -4.220 1.00 53.44 C ATOM 378 O GLY A 661 7.637 -7.023 -4.795 1.00 43.41 O ATOM 0 H GLY A 661 5.470 -3.392 -4.021 1.00 52.32 H new ATOM 0 HA2 GLY A 661 6.464 -5.124 -6.028 1.00 13.42 H new ATOM 0 HA3 GLY A 661 7.391 -4.125 -4.926 1.00 13.42 H new ATOM 382 N THR A 662 6.740 -6.152 -2.924 1.00 20.20 N ATOM 383 CA THR A 662 7.109 -7.286 -2.088 1.00 41.41 C ATOM 384 C THR A 662 6.229 -8.496 -2.383 1.00 73.33 C ATOM 385 O THR A 662 6.729 -9.594 -2.630 1.00 71.20 O ATOM 386 CB THR A 662 7.000 -6.940 -0.590 1.00 63.12 C ATOM 387 OG1 THR A 662 7.978 -5.953 -0.244 1.00 21.03 O ATOM 388 CG2 THR A 662 7.198 -8.180 0.268 1.00 4.05 C ATOM 0 H THR A 662 6.244 -5.409 -2.432 1.00 20.20 H new ATOM 0 HA THR A 662 8.146 -7.527 -2.323 1.00 41.41 H new ATOM 0 HB THR A 662 6.002 -6.544 -0.402 1.00 63.12 H new ATOM 0 HG1 THR A 662 7.666 -5.069 -0.529 1.00 21.03 H new ATOM 0 HG21 THR A 662 7.117 -7.911 1.321 1.00 4.05 H new ATOM 0 HG22 THR A 662 6.435 -8.918 0.022 1.00 4.05 H new ATOM 0 HG23 THR A 662 8.185 -8.601 0.076 1.00 4.05 H new ATOM 396 N PHE A 663 4.917 -8.288 -2.357 1.00 31.01 N ATOM 397 CA PHE A 663 3.968 -9.363 -2.621 1.00 30.14 C ATOM 398 C PHE A 663 4.230 -9.996 -3.984 1.00 42.21 C ATOM 399 O PHE A 663 4.414 -11.210 -4.093 1.00 31.22 O ATOM 400 CB PHE A 663 2.535 -8.831 -2.560 1.00 4.31 C ATOM 401 CG PHE A 663 1.544 -9.837 -2.046 1.00 24.31 C ATOM 402 CD1 PHE A 663 1.442 -11.090 -2.630 1.00 24.25 C ATOM 403 CD2 PHE A 663 0.716 -9.529 -0.979 1.00 54.41 C ATOM 404 CE1 PHE A 663 0.530 -12.016 -2.159 1.00 20.54 C ATOM 405 CE2 PHE A 663 -0.198 -10.453 -0.504 1.00 31.31 C ATOM 406 CZ PHE A 663 -0.290 -11.698 -1.094 1.00 71.32 C ATOM 0 H PHE A 663 4.487 -7.385 -2.156 1.00 31.01 H new ATOM 0 HA PHE A 663 4.098 -10.127 -1.854 1.00 30.14 H new ATOM 0 HB2 PHE A 663 2.510 -7.949 -1.920 1.00 4.31 H new ATOM 0 HB3 PHE A 663 2.232 -8.511 -3.557 1.00 4.31 H new ATOM 0 HD1 PHE A 663 2.082 -11.346 -3.462 1.00 24.25 H new ATOM 0 HD2 PHE A 663 0.785 -8.557 -0.513 1.00 54.41 H new ATOM 0 HE1 PHE A 663 0.459 -12.988 -2.624 1.00 20.54 H new ATOM 0 HE2 PHE A 663 -0.839 -10.201 0.328 1.00 31.31 H new ATOM 0 HZ PHE A 663 -1.001 -12.421 -0.724 1.00 71.32 H new ATOM 416 N LEU A 664 4.244 -9.168 -5.022 1.00 20.20 N ATOM 417 CA LEU A 664 4.482 -9.645 -6.380 1.00 62.44 C ATOM 418 C LEU A 664 5.822 -10.368 -6.475 1.00 43.11 C ATOM 419 O LEU A 664 5.912 -11.461 -7.036 1.00 4.42 O ATOM 420 CB LEU A 664 4.450 -8.476 -7.367 1.00 53.50 C ATOM 421 CG LEU A 664 3.106 -7.762 -7.515 1.00 23.20 C ATOM 422 CD1 LEU A 664 3.113 -6.863 -8.742 1.00 61.30 C ATOM 423 CD2 LEU A 664 1.971 -8.772 -7.598 1.00 50.21 C ATOM 0 H LEU A 664 4.093 -8.162 -4.950 1.00 20.20 H new ATOM 0 HA LEU A 664 3.690 -10.349 -6.635 1.00 62.44 H new ATOM 0 HB2 LEU A 664 5.196 -7.744 -7.057 1.00 53.50 H new ATOM 0 HB3 LEU A 664 4.753 -8.845 -8.347 1.00 53.50 H new ATOM 0 HG LEU A 664 2.947 -7.140 -6.634 1.00 23.20 H new ATOM 0 HD11 LEU A 664 2.149 -6.363 -8.832 1.00 61.30 H new ATOM 0 HD12 LEU A 664 3.901 -6.117 -8.642 1.00 61.30 H new ATOM 0 HD13 LEU A 664 3.294 -7.465 -9.633 1.00 61.30 H new ATOM 0 HD21 LEU A 664 1.022 -8.245 -7.703 1.00 50.21 H new ATOM 0 HD22 LEU A 664 2.123 -9.421 -8.461 1.00 50.21 H new ATOM 0 HD23 LEU A 664 1.953 -9.374 -6.690 1.00 50.21 H new ATOM 435 N TYR A 665 6.861 -9.753 -5.922 1.00 13.45 N ATOM 436 CA TYR A 665 8.197 -10.338 -5.944 1.00 11.35 C ATOM 437 C TYR A 665 8.212 -11.688 -5.234 1.00 33.54 C ATOM 438 O TYR A 665 8.728 -12.673 -5.761 1.00 2.01 O ATOM 439 CB TYR A 665 9.202 -9.391 -5.287 1.00 32.43 C ATOM 440 CG TYR A 665 10.500 -10.061 -4.898 1.00 51.21 C ATOM 441 CD1 TYR A 665 10.656 -10.646 -3.647 1.00 24.41 C ATOM 442 CD2 TYR A 665 11.571 -10.110 -5.781 1.00 32.41 C ATOM 443 CE1 TYR A 665 11.841 -11.259 -3.288 1.00 2.34 C ATOM 444 CE2 TYR A 665 12.759 -10.721 -5.431 1.00 73.12 C ATOM 445 CZ TYR A 665 12.889 -11.294 -4.183 1.00 3.22 C ATOM 446 OH TYR A 665 14.070 -11.905 -3.829 1.00 32.01 O ATOM 0 H TYR A 665 6.804 -8.849 -5.453 1.00 13.45 H new ATOM 0 HA TYR A 665 8.482 -10.493 -6.985 1.00 11.35 H new ATOM 0 HB2 TYR A 665 9.417 -8.571 -5.972 1.00 32.43 H new ATOM 0 HB3 TYR A 665 8.748 -8.953 -4.398 1.00 32.43 H new ATOM 0 HD1 TYR A 665 9.837 -10.621 -2.943 1.00 24.41 H new ATOM 0 HD2 TYR A 665 11.473 -9.662 -6.759 1.00 32.41 H new ATOM 0 HE1 TYR A 665 11.946 -11.708 -2.312 1.00 2.34 H new ATOM 0 HE2 TYR A 665 13.581 -10.750 -6.130 1.00 73.12 H new ATOM 0 HH TYR A 665 14.706 -11.844 -4.572 1.00 32.01 H new ATOM 456 N TRP A 666 7.643 -11.723 -4.034 1.00 62.10 N ATOM 457 CA TRP A 666 7.591 -12.952 -3.250 1.00 13.14 C ATOM 458 C TRP A 666 6.901 -14.066 -4.029 1.00 3.31 C ATOM 459 O TRP A 666 7.439 -15.164 -4.167 1.00 40.04 O ATOM 460 CB TRP A 666 6.858 -12.707 -1.929 1.00 60.34 C ATOM 461 CG TRP A 666 7.416 -13.500 -0.786 1.00 52.10 C ATOM 462 CD1 TRP A 666 8.444 -13.140 0.038 1.00 61.33 C ATOM 463 CD2 TRP A 666 6.975 -14.788 -0.341 1.00 13.41 C ATOM 464 NE1 TRP A 666 8.669 -14.125 0.967 1.00 75.15 N ATOM 465 CE2 TRP A 666 7.781 -15.147 0.757 1.00 54.33 C ATOM 466 CE3 TRP A 666 5.978 -15.671 -0.761 1.00 2.12 C ATOM 467 CZ2 TRP A 666 7.619 -16.352 1.437 1.00 22.14 C ATOM 468 CZ3 TRP A 666 5.818 -16.866 -0.086 1.00 13.41 C ATOM 469 CH2 TRP A 666 6.635 -17.197 1.004 1.00 4.34 C ATOM 0 H TRP A 666 7.212 -10.916 -3.583 1.00 62.10 H new ATOM 0 HA TRP A 666 8.614 -13.262 -3.038 1.00 13.14 H new ATOM 0 HB2 TRP A 666 6.908 -11.646 -1.685 1.00 60.34 H new ATOM 0 HB3 TRP A 666 5.804 -12.956 -2.055 1.00 60.34 H new ATOM 0 HD1 TRP A 666 8.999 -12.216 -0.031 1.00 61.33 H new ATOM 0 HE1 TRP A 666 9.382 -14.100 1.696 1.00 75.15 H new ATOM 0 HE3 TRP A 666 5.343 -15.424 -1.599 1.00 2.12 H new ATOM 0 HZ2 TRP A 666 8.248 -16.610 2.276 1.00 22.14 H new ATOM 0 HZ3 TRP A 666 5.051 -17.557 -0.403 1.00 13.41 H new ATOM 0 HH2 TRP A 666 6.484 -18.138 1.512 1.00 4.34 H new ATOM 480 N ARG A 667 5.707 -13.776 -4.536 1.00 41.31 N ATOM 481 CA ARG A 667 4.944 -14.755 -5.301 1.00 1.42 C ATOM 482 C ARG A 667 5.789 -15.346 -6.425 1.00 24.33 C ATOM 483 O ARG A 667 5.922 -16.563 -6.542 1.00 35.42 O ATOM 484 CB ARG A 667 3.683 -14.110 -5.881 1.00 31.32 C ATOM 485 CG ARG A 667 2.577 -13.909 -4.859 1.00 11.12 C ATOM 486 CD ARG A 667 1.461 -13.037 -5.411 1.00 1.53 C ATOM 487 NE ARG A 667 0.747 -13.689 -6.506 1.00 22.33 N ATOM 488 CZ ARG A 667 -0.210 -14.592 -6.326 1.00 31.54 C ATOM 489 NH1 ARG A 667 -0.566 -14.948 -5.100 1.00 12.42 N ATOM 490 NH2 ARG A 667 -0.812 -15.140 -7.374 1.00 21.22 N ATOM 0 H ARG A 667 5.247 -12.872 -4.431 1.00 41.31 H new ATOM 0 HA ARG A 667 4.655 -15.560 -4.626 1.00 1.42 H new ATOM 0 HB2 ARG A 667 3.945 -13.145 -6.315 1.00 31.32 H new ATOM 0 HB3 ARG A 667 3.307 -14.733 -6.693 1.00 31.32 H new ATOM 0 HG2 ARG A 667 2.172 -14.877 -4.564 1.00 11.12 H new ATOM 0 HG3 ARG A 667 2.989 -13.449 -3.961 1.00 11.12 H new ATOM 0 HD2 ARG A 667 0.759 -12.798 -4.612 1.00 1.53 H new ATOM 0 HD3 ARG A 667 1.878 -12.093 -5.762 1.00 1.53 H new ATOM 0 HE ARG A 667 0.997 -13.437 -7.462 1.00 22.33 H new ATOM 0 HH11 ARG A 667 -0.105 -14.528 -4.293 1.00 12.42 H new ATOM 0 HH12 ARG A 667 -1.301 -15.642 -4.964 1.00 12.42 H new ATOM 0 HH21 ARG A 667 -0.540 -14.868 -8.319 1.00 21.22 H new ATOM 0 HH22 ARG A 667 -1.547 -15.834 -7.235 1.00 21.22 H new ATOM 504 N GLY A 668 6.359 -14.473 -7.252 1.00 53.31 N ATOM 505 CA GLY A 668 7.184 -14.927 -8.357 1.00 13.42 C ATOM 506 C GLY A 668 8.418 -15.673 -7.889 1.00 24.24 C ATOM 507 O GLY A 668 8.816 -16.668 -8.495 1.00 74.04 O ATOM 0 H GLY A 668 6.264 -13.460 -7.176 1.00 53.31 H new ATOM 0 HA2 GLY A 668 6.594 -15.576 -9.004 1.00 13.42 H new ATOM 0 HA3 GLY A 668 7.487 -14.069 -8.957 1.00 13.42 H new ATOM 511 N ARG A 669 9.027 -15.190 -6.812 1.00 12.23 N ATOM 512 CA ARG A 669 10.226 -15.815 -6.266 1.00 51.23 C ATOM 513 C ARG A 669 9.984 -17.294 -5.978 1.00 73.30 C ATOM 514 O ARG A 669 10.706 -18.159 -6.472 1.00 65.41 O ATOM 515 CB ARG A 669 10.663 -15.100 -4.987 1.00 23.34 C ATOM 516 CG ARG A 669 12.005 -14.397 -5.110 1.00 72.13 C ATOM 517 CD ARG A 669 13.138 -15.391 -5.315 1.00 50.55 C ATOM 518 NE ARG A 669 13.126 -16.450 -4.308 1.00 25.02 N ATOM 519 CZ ARG A 669 13.774 -17.601 -4.445 1.00 55.01 C ATOM 520 NH1 ARG A 669 14.482 -17.841 -5.539 1.00 63.41 N ATOM 521 NH2 ARG A 669 13.715 -18.515 -3.484 1.00 24.24 N ATOM 0 H ARG A 669 8.710 -14.367 -6.299 1.00 12.23 H new ATOM 0 HA ARG A 669 11.019 -15.732 -7.009 1.00 51.23 H new ATOM 0 HB2 ARG A 669 9.903 -14.368 -4.712 1.00 23.34 H new ATOM 0 HB3 ARG A 669 10.716 -15.825 -4.175 1.00 23.34 H new ATOM 0 HG2 ARG A 669 11.976 -13.699 -5.947 1.00 72.13 H new ATOM 0 HG3 ARG A 669 12.193 -13.810 -4.211 1.00 72.13 H new ATOM 0 HD2 ARG A 669 13.057 -15.834 -6.308 1.00 50.55 H new ATOM 0 HD3 ARG A 669 14.092 -14.866 -5.277 1.00 50.55 H new ATOM 0 HE ARG A 669 12.591 -16.297 -3.453 1.00 25.02 H new ATOM 0 HH11 ARG A 669 14.530 -17.141 -6.279 1.00 63.41 H new ATOM 0 HH12 ARG A 669 14.979 -18.726 -5.641 1.00 63.41 H new ATOM 0 HH21 ARG A 669 13.172 -18.333 -2.640 1.00 24.24 H new ATOM 0 HH22 ARG A 669 14.213 -19.399 -3.590 1.00 24.24 H new ATOM 535 N ARG A 670 8.964 -17.576 -5.173 1.00 5.02 N ATOM 536 CA ARG A 670 8.628 -18.949 -4.818 1.00 35.03 C ATOM 537 C ARG A 670 8.337 -19.778 -6.066 1.00 32.23 C ATOM 538 O ARG A 670 8.494 -21.000 -6.062 1.00 62.01 O ATOM 539 CB ARG A 670 7.418 -18.974 -3.882 1.00 52.04 C ATOM 540 CG ARG A 670 7.685 -18.343 -2.525 1.00 62.13 C ATOM 541 CD ARG A 670 8.839 -19.027 -1.810 1.00 31.12 C ATOM 542 NE ARG A 670 8.608 -20.459 -1.642 1.00 70.42 N ATOM 543 CZ ARG A 670 9.369 -21.242 -0.884 1.00 42.31 C ATOM 544 NH1 ARG A 670 10.402 -20.734 -0.227 1.00 21.30 N ATOM 545 NH2 ARG A 670 9.094 -22.536 -0.782 1.00 60.53 N ATOM 0 H ARG A 670 8.356 -16.871 -4.755 1.00 5.02 H new ATOM 0 HA ARG A 670 9.485 -19.386 -4.305 1.00 35.03 H new ATOM 0 HB2 ARG A 670 6.589 -18.452 -4.359 1.00 52.04 H new ATOM 0 HB3 ARG A 670 7.103 -20.007 -3.737 1.00 52.04 H new ATOM 0 HG2 ARG A 670 7.911 -17.284 -2.653 1.00 62.13 H new ATOM 0 HG3 ARG A 670 6.787 -18.405 -1.911 1.00 62.13 H new ATOM 0 HD2 ARG A 670 9.758 -18.872 -2.375 1.00 31.12 H new ATOM 0 HD3 ARG A 670 8.984 -18.566 -0.833 1.00 31.12 H new ATOM 0 HE ARG A 670 7.820 -20.881 -2.133 1.00 70.42 H new ATOM 0 HH11 ARG A 670 10.615 -19.739 -0.302 1.00 21.30 H new ATOM 0 HH12 ARG A 670 10.984 -21.338 0.354 1.00 21.30 H new ATOM 0 HH21 ARG A 670 8.299 -22.930 -1.285 1.00 60.53 H new ATOM 0 HH22 ARG A 670 9.678 -23.137 -0.200 1.00 60.53 H new ATOM 559 N HIS A 671 7.913 -19.106 -7.131 1.00 12.34 N ATOM 560 CA HIS A 671 7.600 -19.781 -8.385 1.00 23.00 C ATOM 561 C HIS A 671 8.874 -20.224 -9.097 1.00 73.52 C ATOM 562 O HIS A 671 8.824 -20.956 -10.086 1.00 23.34 O ATOM 563 CB HIS A 671 6.787 -18.859 -9.296 1.00 53.21 C ATOM 564 CG HIS A 671 5.894 -19.593 -10.248 1.00 72.00 C ATOM 565 ND1 HIS A 671 6.069 -20.923 -10.570 1.00 62.10 N ATOM 566 CD2 HIS A 671 4.814 -19.176 -10.948 1.00 4.33 C ATOM 567 CE1 HIS A 671 5.135 -21.291 -11.429 1.00 44.22 C ATOM 568 NE2 HIS A 671 4.360 -20.250 -11.675 1.00 32.50 N ATOM 0 H HIS A 671 7.778 -18.095 -7.151 1.00 12.34 H new ATOM 0 HA HIS A 671 7.008 -20.666 -8.154 1.00 23.00 H new ATOM 0 HB2 HIS A 671 6.180 -18.196 -8.680 1.00 53.21 H new ATOM 0 HB3 HIS A 671 7.471 -18.229 -9.865 1.00 53.21 H new ATOM 0 HD1 HIS A 671 6.804 -21.527 -10.203 1.00 62.10 H new ATOM 0 HD2 HIS A 671 4.388 -18.184 -10.937 1.00 4.33 H new ATOM 0 HE1 HIS A 671 5.024 -22.276 -11.857 1.00 44.22 H new ATOM 576 N HIS A 672 10.017 -19.774 -8.587 1.00 5.12 N ATOM 577 CA HIS A 672 11.306 -20.124 -9.175 1.00 10.34 C ATOM 578 C HIS A 672 11.220 -20.149 -10.698 1.00 34.44 C ATOM 579 O HIS A 672 11.760 -21.046 -11.345 1.00 64.31 O ATOM 580 CB HIS A 672 11.773 -21.484 -8.656 1.00 41.11 C ATOM 581 CG HIS A 672 10.832 -22.604 -8.980 1.00 71.42 C ATOM 582 ND1 HIS A 672 10.955 -23.389 -10.107 1.00 64.21 N ATOM 583 CD2 HIS A 672 9.749 -23.070 -8.314 1.00 70.13 C ATOM 584 CE1 HIS A 672 9.987 -24.288 -10.123 1.00 32.22 C ATOM 585 NE2 HIS A 672 9.242 -24.116 -9.046 1.00 54.54 N ATOM 0 H HIS A 672 10.077 -19.167 -7.769 1.00 5.12 H new ATOM 0 HA HIS A 672 12.030 -19.363 -8.883 1.00 10.34 H new ATOM 0 HB2 HIS A 672 12.752 -21.709 -9.080 1.00 41.11 H new ATOM 0 HB3 HIS A 672 11.899 -21.427 -7.575 1.00 41.11 H new ATOM 0 HD1 HIS A 672 11.680 -23.291 -10.817 1.00 64.21 H new ATOM 0 HD2 HIS A 672 9.357 -22.690 -7.382 1.00 70.13 H new ATOM 0 HE1 HIS A 672 9.831 -25.036 -10.886 1.00 32.22 H new ATOM 593 N HIS A 673 10.538 -19.158 -11.263 1.00 1.12 N ATOM 594 CA HIS A 673 10.381 -19.066 -12.711 1.00 34.33 C ATOM 595 C HIS A 673 11.042 -17.800 -13.249 1.00 52.25 C ATOM 596 O HIS A 673 11.472 -17.755 -14.402 1.00 3.43 O ATOM 597 CB HIS A 673 8.899 -19.081 -13.087 1.00 55.22 C ATOM 598 CG HIS A 673 8.653 -18.942 -14.557 1.00 3.30 C ATOM 599 ND1 HIS A 673 8.325 -20.007 -15.370 1.00 54.24 N ATOM 600 CD2 HIS A 673 8.687 -17.854 -15.362 1.00 12.24 C ATOM 601 CE1 HIS A 673 8.170 -19.581 -16.609 1.00 64.53 C ATOM 602 NE2 HIS A 673 8.383 -18.277 -16.632 1.00 53.54 N ATOM 0 H HIS A 673 10.085 -18.408 -10.741 1.00 1.12 H new ATOM 0 HA HIS A 673 10.870 -19.930 -13.161 1.00 34.33 H new ATOM 0 HB2 HIS A 673 8.454 -20.013 -12.739 1.00 55.22 H new ATOM 0 HB3 HIS A 673 8.392 -18.270 -12.564 1.00 55.22 H new ATOM 0 HD2 HIS A 673 8.912 -16.841 -15.061 1.00 12.24 H new ATOM 0 HE1 HIS A 673 7.913 -20.194 -17.460 1.00 64.53 H new ATOM 0 HE2 HIS A 673 8.330 -17.682 -17.459 1.00 53.54 H new ATOM 610 N HIS A 674 11.120 -16.775 -12.407 1.00 5.33 N ATOM 611 CA HIS A 674 11.728 -15.508 -12.798 1.00 42.12 C ATOM 612 C HIS A 674 13.243 -15.555 -12.620 1.00 43.13 C ATOM 613 O HIS A 674 13.984 -14.882 -13.337 1.00 13.10 O ATOM 614 CB HIS A 674 11.141 -14.361 -11.977 1.00 64.11 C ATOM 615 CG HIS A 674 10.678 -13.205 -12.809 1.00 23.33 C ATOM 616 ND1 HIS A 674 11.353 -12.764 -13.927 1.00 41.00 N ATOM 617 CD2 HIS A 674 9.598 -12.397 -12.680 1.00 71.14 C ATOM 618 CE1 HIS A 674 10.710 -11.735 -14.450 1.00 43.12 C ATOM 619 NE2 HIS A 674 9.642 -11.492 -13.712 1.00 44.45 N ATOM 0 H HIS A 674 10.770 -16.797 -11.449 1.00 5.33 H new ATOM 0 HA HIS A 674 11.509 -15.338 -13.852 1.00 42.12 H new ATOM 0 HB2 HIS A 674 10.301 -14.736 -11.392 1.00 64.11 H new ATOM 0 HB3 HIS A 674 11.892 -14.011 -11.269 1.00 64.11 H new ATOM 0 HD2 HIS A 674 8.843 -12.454 -11.909 1.00 71.14 H new ATOM 0 HE1 HIS A 674 11.007 -11.186 -15.331 1.00 43.12 H new ATOM 0 HE2 HIS A 674 8.960 -10.752 -13.881 1.00 44.45 H new ATOM 627 N HIS A 675 13.696 -16.353 -11.659 1.00 3.50 N ATOM 628 CA HIS A 675 15.122 -16.487 -11.385 1.00 64.13 C ATOM 629 C HIS A 675 15.714 -15.159 -10.924 1.00 62.24 C ATOM 630 O HIS A 675 16.596 -14.601 -11.579 1.00 74.44 O ATOM 631 CB HIS A 675 15.858 -16.982 -12.632 1.00 4.44 C ATOM 632 CG HIS A 675 15.186 -18.140 -13.303 1.00 41.22 C ATOM 633 ND1 HIS A 675 14.940 -18.184 -14.660 1.00 52.34 N ATOM 634 CD2 HIS A 675 14.709 -19.302 -12.798 1.00 22.11 C ATOM 635 CE1 HIS A 675 14.340 -19.323 -14.959 1.00 21.41 C ATOM 636 NE2 HIS A 675 14.189 -20.020 -13.846 1.00 23.32 N ATOM 0 H HIS A 675 13.096 -16.917 -11.057 1.00 3.50 H new ATOM 0 HA HIS A 675 15.246 -17.217 -10.585 1.00 64.13 H new ATOM 0 HB2 HIS A 675 15.944 -16.160 -13.343 1.00 4.44 H new ATOM 0 HB3 HIS A 675 16.872 -17.271 -12.355 1.00 4.44 H new ATOM 0 HD2 HIS A 675 14.733 -19.607 -11.762 1.00 22.11 H new ATOM 0 HE1 HIS A 675 14.026 -19.632 -15.945 1.00 21.41 H new ATOM 0 HE2 HIS A 675 13.757 -20.941 -13.777 1.00 23.32 H new ATOM 644 N HIS A 676 15.224 -14.658 -9.795 1.00 24.01 N ATOM 645 CA HIS A 676 15.705 -13.395 -9.248 1.00 32.15 C ATOM 646 C HIS A 676 15.781 -13.457 -7.725 1.00 74.51 C ATOM 647 O HIS A 676 15.404 -14.474 -7.145 1.00 30.21 O ATOM 648 CB HIS A 676 14.789 -12.247 -9.677 1.00 72.31 C ATOM 649 CG HIS A 676 15.517 -10.963 -9.930 1.00 14.02 C ATOM 650 ND1 HIS A 676 16.124 -10.232 -8.929 1.00 71.10 N ATOM 651 CD2 HIS A 676 15.735 -10.280 -11.077 1.00 61.25 C ATOM 652 CE1 HIS A 676 16.682 -9.155 -9.451 1.00 45.11 C ATOM 653 NE2 HIS A 676 16.462 -9.160 -10.753 1.00 42.12 N ATOM 0 H HIS A 676 14.494 -15.107 -9.241 1.00 24.01 H new ATOM 0 HA HIS A 676 16.707 -13.216 -9.638 1.00 32.15 H new ATOM 0 HB2 HIS A 676 14.256 -12.537 -10.582 1.00 72.31 H new ATOM 0 HB3 HIS A 676 14.039 -12.083 -8.904 1.00 72.31 H new ATOM 0 HD2 HIS A 676 15.400 -10.563 -12.064 1.00 61.25 H new ATOM 0 HE1 HIS A 676 17.226 -8.398 -8.905 1.00 45.11 H new ATOM 0 HE2 HIS A 676 16.780 -8.448 -11.411 1.00 42.12 H new TER 661 HIS A 676 ATOM 662 N MET B 637 -11.667 31.977 7.671 1.00 11.02 N ATOM 663 CA MET B 637 -11.962 31.053 6.581 1.00 31.30 C ATOM 664 C MET B 637 -10.741 30.860 5.688 1.00 75.11 C ATOM 665 O MET B 637 -10.426 31.712 4.858 1.00 74.45 O ATOM 666 CB MET B 637 -13.139 31.569 5.751 1.00 55.35 C ATOM 667 CG MET B 637 -14.255 30.550 5.583 1.00 31.32 C ATOM 668 SD MET B 637 -14.401 29.954 3.888 1.00 3.53 S ATOM 669 CE MET B 637 -16.041 30.538 3.464 1.00 32.13 C ATOM 0 HA MET B 637 -12.229 30.090 7.016 1.00 31.30 H new ATOM 0 HB2 MET B 637 -13.543 32.464 6.225 1.00 55.35 H new ATOM 0 HB3 MET B 637 -12.777 31.865 4.767 1.00 55.35 H new ATOM 0 HG2 MET B 637 -14.073 29.705 6.247 1.00 31.32 H new ATOM 0 HG3 MET B 637 -15.200 30.998 5.889 1.00 31.32 H new ATOM 0 HE1 MET B 637 -16.278 30.246 2.441 1.00 32.13 H new ATOM 0 HE2 MET B 637 -16.771 30.099 4.145 1.00 32.13 H new ATOM 0 HE3 MET B 637 -16.073 31.624 3.548 1.00 32.13 H new ATOM 679 N GLY B 638 -10.056 29.734 5.863 1.00 53.31 N ATOM 680 CA GLY B 638 -8.878 29.450 5.066 1.00 61.35 C ATOM 681 C GLY B 638 -8.595 27.964 4.958 1.00 23.31 C ATOM 682 O GLY B 638 -7.861 27.404 5.772 1.00 65.53 O ATOM 0 H GLY B 638 -10.297 29.013 6.543 1.00 53.31 H new ATOM 0 HA2 GLY B 638 -9.010 29.865 4.067 1.00 61.35 H new ATOM 0 HA3 GLY B 638 -8.016 29.950 5.507 1.00 61.35 H new ATOM 686 N ARG B 639 -9.181 27.323 3.951 1.00 31.50 N ATOM 687 CA ARG B 639 -8.990 25.894 3.741 1.00 71.10 C ATOM 688 C ARG B 639 -9.194 25.528 2.274 1.00 51.54 C ATOM 689 O ARG B 639 -10.316 25.263 1.839 1.00 31.03 O ATOM 690 CB ARG B 639 -9.955 25.095 4.617 1.00 10.33 C ATOM 691 CG ARG B 639 -9.580 25.089 6.090 1.00 32.40 C ATOM 692 CD ARG B 639 -10.300 26.190 6.853 1.00 70.43 C ATOM 693 NE ARG B 639 -11.279 25.653 7.794 1.00 0.13 N ATOM 694 CZ ARG B 639 -12.259 26.374 8.326 1.00 30.10 C ATOM 695 NH1 ARG B 639 -12.391 27.655 8.010 1.00 13.42 N ATOM 696 NH2 ARG B 639 -13.111 25.815 9.175 1.00 52.20 N ATOM 0 H ARG B 639 -9.792 27.772 3.268 1.00 31.50 H new ATOM 0 HA ARG B 639 -7.966 25.645 4.020 1.00 71.10 H new ATOM 0 HB2 ARG B 639 -10.958 25.508 4.508 1.00 10.33 H new ATOM 0 HB3 ARG B 639 -9.993 24.067 4.257 1.00 10.33 H new ATOM 0 HG2 ARG B 639 -9.828 24.121 6.526 1.00 32.40 H new ATOM 0 HG3 ARG B 639 -8.503 25.218 6.193 1.00 32.40 H new ATOM 0 HD2 ARG B 639 -9.571 26.793 7.394 1.00 70.43 H new ATOM 0 HD3 ARG B 639 -10.801 26.852 6.147 1.00 70.43 H new ATOM 0 HE ARG B 639 -11.206 24.670 8.057 1.00 0.13 H new ATOM 0 HH11 ARG B 639 -11.739 28.089 7.357 1.00 13.42 H new ATOM 0 HH12 ARG B 639 -13.145 28.206 8.420 1.00 13.42 H new ATOM 0 HH21 ARG B 639 -13.014 24.830 9.420 1.00 52.20 H new ATOM 0 HH22 ARG B 639 -13.863 26.370 9.583 1.00 52.20 H new ATOM 710 N THR B 640 -8.103 25.513 1.515 1.00 4.32 N ATOM 711 CA THR B 640 -8.163 25.182 0.097 1.00 2.41 C ATOM 712 C THR B 640 -7.193 24.057 -0.247 1.00 33.25 C ATOM 713 O THR B 640 -7.573 23.062 -0.864 1.00 14.14 O ATOM 714 CB THR B 640 -7.843 26.407 -0.781 1.00 42.45 C ATOM 715 OG1 THR B 640 -8.775 27.460 -0.510 1.00 62.22 O ATOM 716 CG2 THR B 640 -7.896 26.043 -2.257 1.00 73.12 C ATOM 0 H THR B 640 -7.167 25.726 1.859 1.00 4.32 H new ATOM 0 HA THR B 640 -9.182 24.854 -0.107 1.00 2.41 H new ATOM 0 HB THR B 640 -6.834 26.745 -0.543 1.00 42.45 H new ATOM 0 HG1 THR B 640 -8.564 28.236 -1.071 1.00 62.22 H new ATOM 0 HG21 THR B 640 -7.667 26.923 -2.857 1.00 73.12 H new ATOM 0 HG22 THR B 640 -7.165 25.261 -2.465 1.00 73.12 H new ATOM 0 HG23 THR B 640 -8.894 25.683 -2.507 1.00 73.12 H new ATOM 724 N HIS B 641 -5.937 24.221 0.158 1.00 31.33 N ATOM 725 CA HIS B 641 -4.911 23.219 -0.106 1.00 54.52 C ATOM 726 C HIS B 641 -5.240 21.907 0.601 1.00 42.22 C ATOM 727 O HIS B 641 -4.633 20.872 0.324 1.00 41.33 O ATOM 728 CB HIS B 641 -3.542 23.727 0.348 1.00 43.42 C ATOM 729 CG HIS B 641 -3.359 23.706 1.834 1.00 71.30 C ATOM 730 ND1 HIS B 641 -3.053 22.561 2.540 1.00 42.14 N ATOM 731 CD2 HIS B 641 -3.437 24.700 2.750 1.00 31.10 C ATOM 732 CE1 HIS B 641 -2.953 22.851 3.824 1.00 4.24 C ATOM 733 NE2 HIS B 641 -3.181 24.143 3.978 1.00 33.44 N ATOM 0 H HIS B 641 -5.606 25.039 0.670 1.00 31.33 H new ATOM 0 HA HIS B 641 -4.884 23.037 -1.180 1.00 54.52 H new ATOM 0 HB2 HIS B 641 -2.766 23.117 -0.114 1.00 43.42 H new ATOM 0 HB3 HIS B 641 -3.404 24.746 -0.013 1.00 43.42 H new ATOM 0 HD2 HIS B 641 -3.659 25.738 2.551 1.00 31.10 H new ATOM 0 HE1 HIS B 641 -2.724 22.151 4.614 1.00 4.24 H new ATOM 0 HE2 HIS B 641 -3.169 24.645 4.866 1.00 33.44 H new ATOM 741 N LEU B 642 -6.202 21.958 1.515 1.00 33.13 N ATOM 742 CA LEU B 642 -6.611 20.774 2.263 1.00 2.34 C ATOM 743 C LEU B 642 -7.361 19.795 1.365 1.00 10.12 C ATOM 744 O LEU B 642 -7.285 18.581 1.551 1.00 54.45 O ATOM 745 CB LEU B 642 -7.491 21.174 3.448 1.00 14.11 C ATOM 746 CG LEU B 642 -6.755 21.649 4.702 1.00 62.44 C ATOM 747 CD1 LEU B 642 -7.641 22.569 5.526 1.00 45.52 C ATOM 748 CD2 LEU B 642 -6.297 20.460 5.534 1.00 63.22 C ATOM 0 H LEU B 642 -6.714 22.807 1.756 1.00 33.13 H new ATOM 0 HA LEU B 642 -5.713 20.282 2.636 1.00 2.34 H new ATOM 0 HB2 LEU B 642 -8.164 21.968 3.123 1.00 14.11 H new ATOM 0 HB3 LEU B 642 -8.113 20.320 3.718 1.00 14.11 H new ATOM 0 HG LEU B 642 -5.874 22.211 4.391 1.00 62.44 H new ATOM 0 HD11 LEU B 642 -7.100 22.896 6.414 1.00 45.52 H new ATOM 0 HD12 LEU B 642 -7.918 23.438 4.929 1.00 45.52 H new ATOM 0 HD13 LEU B 642 -8.541 22.033 5.827 1.00 45.52 H new ATOM 0 HD21 LEU B 642 -5.775 20.817 6.422 1.00 63.22 H new ATOM 0 HD22 LEU B 642 -7.163 19.871 5.834 1.00 63.22 H new ATOM 0 HD23 LEU B 642 -5.624 19.840 4.942 1.00 63.22 H new ATOM 760 N THR B 643 -8.086 20.333 0.388 1.00 15.42 N ATOM 761 CA THR B 643 -8.850 19.507 -0.540 1.00 73.40 C ATOM 762 C THR B 643 -7.939 18.556 -1.307 1.00 70.51 C ATOM 763 O THR B 643 -8.136 17.341 -1.288 1.00 34.25 O ATOM 764 CB THR B 643 -9.634 20.372 -1.544 1.00 42.13 C ATOM 765 OG1 THR B 643 -10.154 21.535 -0.890 1.00 54.44 O ATOM 766 CG2 THR B 643 -10.776 19.580 -2.163 1.00 41.34 C ATOM 0 H THR B 643 -8.160 21.336 0.219 1.00 15.42 H new ATOM 0 HA THR B 643 -9.554 18.927 0.057 1.00 73.40 H new ATOM 0 HB THR B 643 -8.951 20.677 -2.337 1.00 42.13 H new ATOM 0 HG1 THR B 643 -9.480 22.247 -0.904 1.00 54.44 H new ATOM 0 HG21 THR B 643 -11.316 20.211 -2.869 1.00 41.34 H new ATOM 0 HG22 THR B 643 -10.375 18.712 -2.686 1.00 41.34 H new ATOM 0 HG23 THR B 643 -11.456 19.249 -1.378 1.00 41.34 H new ATOM 774 N MET B 644 -6.940 19.116 -1.982 1.00 4.13 N ATOM 775 CA MET B 644 -5.997 18.317 -2.754 1.00 44.43 C ATOM 776 C MET B 644 -5.212 17.375 -1.848 1.00 72.21 C ATOM 777 O MET B 644 -5.100 16.181 -2.125 1.00 21.13 O ATOM 778 CB MET B 644 -5.034 19.225 -3.522 1.00 41.41 C ATOM 779 CG MET B 644 -5.710 20.048 -4.607 1.00 75.32 C ATOM 780 SD MET B 644 -5.771 19.192 -6.192 1.00 65.10 S ATOM 781 CE MET B 644 -7.292 19.848 -6.873 1.00 0.31 C ATOM 0 H MET B 644 -6.763 20.120 -2.009 1.00 4.13 H new ATOM 0 HA MET B 644 -6.565 17.718 -3.465 1.00 44.43 H new ATOM 0 HB2 MET B 644 -4.544 19.898 -2.819 1.00 41.41 H new ATOM 0 HB3 MET B 644 -4.254 18.613 -3.974 1.00 41.41 H new ATOM 0 HG2 MET B 644 -6.724 20.294 -4.292 1.00 75.32 H new ATOM 0 HG3 MET B 644 -5.176 20.991 -4.728 1.00 75.32 H new ATOM 0 HE1 MET B 644 -7.468 19.412 -7.856 1.00 0.31 H new ATOM 0 HE2 MET B 644 -8.123 19.601 -6.212 1.00 0.31 H new ATOM 0 HE3 MET B 644 -7.212 20.931 -6.966 1.00 0.31 H new ATOM 791 N ALA B 645 -4.669 17.920 -0.763 1.00 42.34 N ATOM 792 CA ALA B 645 -3.896 17.127 0.184 1.00 0.05 C ATOM 793 C ALA B 645 -4.728 15.980 0.747 1.00 72.14 C ATOM 794 O ALA B 645 -4.235 14.862 0.906 1.00 51.13 O ATOM 795 CB ALA B 645 -3.379 18.009 1.311 1.00 14.33 C ATOM 0 H ALA B 645 -4.751 18.907 -0.519 1.00 42.34 H new ATOM 0 HA ALA B 645 -3.046 16.698 -0.347 1.00 0.05 H new ATOM 0 HB1 ALA B 645 -2.803 17.404 2.011 1.00 14.33 H new ATOM 0 HB2 ALA B 645 -2.742 18.791 0.898 1.00 14.33 H new ATOM 0 HB3 ALA B 645 -4.221 18.465 1.832 1.00 14.33 H new ATOM 801 N LEU B 646 -5.990 16.263 1.048 1.00 42.34 N ATOM 802 CA LEU B 646 -6.891 15.253 1.594 1.00 74.12 C ATOM 803 C LEU B 646 -7.087 14.107 0.608 1.00 51.35 C ATOM 804 O LEU B 646 -7.075 12.935 0.988 1.00 33.44 O ATOM 805 CB LEU B 646 -8.242 15.881 1.939 1.00 12.32 C ATOM 806 CG LEU B 646 -8.345 16.539 3.316 1.00 43.32 C ATOM 807 CD1 LEU B 646 -9.393 17.642 3.303 1.00 72.54 C ATOM 808 CD2 LEU B 646 -8.673 15.502 4.380 1.00 41.22 C ATOM 0 H LEU B 646 -6.413 17.183 0.924 1.00 42.34 H new ATOM 0 HA LEU B 646 -6.440 14.852 2.502 1.00 74.12 H new ATOM 0 HB2 LEU B 646 -8.476 16.630 1.182 1.00 12.32 H new ATOM 0 HB3 LEU B 646 -9.008 15.108 1.870 1.00 12.32 H new ATOM 0 HG LEU B 646 -7.380 16.985 3.557 1.00 43.32 H new ATOM 0 HD11 LEU B 646 -9.453 18.099 4.291 1.00 72.54 H new ATOM 0 HD12 LEU B 646 -9.116 18.399 2.569 1.00 72.54 H new ATOM 0 HD13 LEU B 646 -10.363 17.220 3.040 1.00 72.54 H new ATOM 0 HD21 LEU B 646 -8.742 15.988 5.353 1.00 41.22 H new ATOM 0 HD22 LEU B 646 -9.625 15.026 4.143 1.00 41.22 H new ATOM 0 HD23 LEU B 646 -7.887 14.747 4.407 1.00 41.22 H new ATOM 820 N THR B 647 -7.265 14.451 -0.664 1.00 23.32 N ATOM 821 CA THR B 647 -7.462 13.451 -1.706 1.00 4.24 C ATOM 822 C THR B 647 -6.258 12.523 -1.812 1.00 54.42 C ATOM 823 O THR B 647 -6.408 11.307 -1.931 1.00 1.42 O ATOM 824 CB THR B 647 -7.711 14.110 -3.076 1.00 52.24 C ATOM 825 OG1 THR B 647 -8.844 14.982 -3.003 1.00 35.24 O ATOM 826 CG2 THR B 647 -7.945 13.056 -4.149 1.00 73.30 C ATOM 0 H THR B 647 -7.277 15.415 -0.997 1.00 23.32 H new ATOM 0 HA THR B 647 -8.341 12.870 -1.425 1.00 4.24 H new ATOM 0 HB THR B 647 -6.826 14.688 -3.342 1.00 52.24 H new ATOM 0 HG1 THR B 647 -8.631 15.748 -2.431 1.00 35.24 H new ATOM 0 HG21 THR B 647 -8.119 13.545 -5.108 1.00 73.30 H new ATOM 0 HG22 THR B 647 -7.069 12.412 -4.224 1.00 73.30 H new ATOM 0 HG23 THR B 647 -8.815 12.455 -3.885 1.00 73.30 H new ATOM 834 N VAL B 648 -5.063 13.103 -1.767 1.00 44.31 N ATOM 835 CA VAL B 648 -3.832 12.327 -1.856 1.00 41.13 C ATOM 836 C VAL B 648 -3.719 11.342 -0.698 1.00 63.10 C ATOM 837 O VAL B 648 -3.484 10.151 -0.904 1.00 0.22 O ATOM 838 CB VAL B 648 -2.592 13.240 -1.863 1.00 3.13 C ATOM 839 CG1 VAL B 648 -1.318 12.410 -1.855 1.00 71.14 C ATOM 840 CG2 VAL B 648 -2.624 14.172 -3.064 1.00 71.32 C ATOM 0 H VAL B 648 -4.921 14.108 -1.669 1.00 44.31 H new ATOM 0 HA VAL B 648 -3.872 11.776 -2.795 1.00 41.13 H new ATOM 0 HB VAL B 648 -2.605 13.849 -0.959 1.00 3.13 H new ATOM 0 HG11 VAL B 648 -0.452 13.072 -1.860 1.00 71.14 H new ATOM 0 HG12 VAL B 648 -1.294 11.789 -0.960 1.00 71.14 H new ATOM 0 HG13 VAL B 648 -1.293 11.773 -2.739 1.00 71.14 H new ATOM 0 HG21 VAL B 648 -1.740 14.810 -3.053 1.00 71.32 H new ATOM 0 HG22 VAL B 648 -2.635 13.583 -3.981 1.00 71.32 H new ATOM 0 HG23 VAL B 648 -3.520 14.792 -3.020 1.00 71.32 H new ATOM 850 N ILE B 649 -3.887 11.847 0.519 1.00 51.10 N ATOM 851 CA ILE B 649 -3.805 11.011 1.711 1.00 20.14 C ATOM 852 C ILE B 649 -4.870 9.920 1.691 1.00 53.52 C ATOM 853 O ILE B 649 -4.577 8.749 1.928 1.00 52.44 O ATOM 854 CB ILE B 649 -3.964 11.845 2.996 1.00 23.43 C ATOM 855 CG1 ILE B 649 -2.858 12.898 3.086 1.00 31.34 C ATOM 856 CG2 ILE B 649 -3.944 10.942 4.219 1.00 53.35 C ATOM 857 CD1 ILE B 649 -2.952 13.769 4.320 1.00 15.42 C ATOM 0 H ILE B 649 -4.081 12.831 0.706 1.00 51.10 H new ATOM 0 HA ILE B 649 -2.817 10.551 1.707 1.00 20.14 H new ATOM 0 HB ILE B 649 -4.926 12.357 2.963 1.00 23.43 H new ATOM 0 HG12 ILE B 649 -1.890 12.398 3.077 1.00 31.34 H new ATOM 0 HG13 ILE B 649 -2.898 13.532 2.200 1.00 31.34 H new ATOM 0 HG21 ILE B 649 -4.057 11.546 5.119 1.00 53.35 H new ATOM 0 HG22 ILE B 649 -4.764 10.227 4.156 1.00 53.35 H new ATOM 0 HG23 ILE B 649 -2.996 10.405 4.259 1.00 53.35 H new ATOM 0 HD11 ILE B 649 -2.137 14.492 4.318 1.00 15.42 H new ATOM 0 HD12 ILE B 649 -3.906 14.297 4.321 1.00 15.42 H new ATOM 0 HD13 ILE B 649 -2.882 13.146 5.211 1.00 15.42 H new ATOM 869 N ALA B 650 -6.108 10.313 1.405 1.00 73.13 N ATOM 870 CA ALA B 650 -7.216 9.368 1.351 1.00 23.40 C ATOM 871 C ALA B 650 -6.994 8.325 0.261 1.00 4.12 C ATOM 872 O ALA B 650 -7.247 7.138 0.463 1.00 23.12 O ATOM 873 CB ALA B 650 -8.527 10.105 1.120 1.00 71.43 C ATOM 0 H ALA B 650 -6.368 11.279 1.207 1.00 73.13 H new ATOM 0 HA ALA B 650 -7.267 8.850 2.309 1.00 23.40 H new ATOM 0 HB1 ALA B 650 -9.346 9.387 1.082 1.00 71.43 H new ATOM 0 HB2 ALA B 650 -8.698 10.808 1.936 1.00 71.43 H new ATOM 0 HB3 ALA B 650 -8.477 10.649 0.177 1.00 71.43 H new ATOM 879 N GLY B 651 -6.521 8.776 -0.897 1.00 73.40 N ATOM 880 CA GLY B 651 -6.275 7.868 -2.003 1.00 34.22 C ATOM 881 C GLY B 651 -5.326 6.746 -1.630 1.00 21.01 C ATOM 882 O GLY B 651 -5.624 5.572 -1.853 1.00 15.24 O ATOM 0 H GLY B 651 -6.304 9.754 -1.089 1.00 73.40 H new ATOM 0 HA2 GLY B 651 -7.221 7.443 -2.338 1.00 34.22 H new ATOM 0 HA3 GLY B 651 -5.861 8.426 -2.843 1.00 34.22 H new ATOM 886 N LEU B 652 -4.179 7.106 -1.065 1.00 51.22 N ATOM 887 CA LEU B 652 -3.182 6.120 -0.662 1.00 24.34 C ATOM 888 C LEU B 652 -3.763 5.140 0.352 1.00 1.34 C ATOM 889 O LEU B 652 -3.643 3.925 0.197 1.00 73.31 O ATOM 890 CB LEU B 652 -1.957 6.818 -0.070 1.00 33.42 C ATOM 891 CG LEU B 652 -1.198 7.754 -1.010 1.00 20.41 C ATOM 892 CD1 LEU B 652 -0.098 8.490 -0.259 1.00 64.12 C ATOM 893 CD2 LEU B 652 -0.616 6.977 -2.182 1.00 44.21 C ATOM 0 H LEU B 652 -3.916 8.073 -0.875 1.00 51.22 H new ATOM 0 HA LEU B 652 -2.881 5.561 -1.548 1.00 24.34 H new ATOM 0 HB2 LEU B 652 -2.276 7.391 0.801 1.00 33.42 H new ATOM 0 HB3 LEU B 652 -1.265 6.054 0.286 1.00 33.42 H new ATOM 0 HG LEU B 652 -1.900 8.491 -1.400 1.00 20.41 H new ATOM 0 HD11 LEU B 652 0.431 9.151 -0.945 1.00 64.12 H new ATOM 0 HD12 LEU B 652 -0.538 9.079 0.546 1.00 64.12 H new ATOM 0 HD13 LEU B 652 0.602 7.768 0.161 1.00 64.12 H new ATOM 0 HD21 LEU B 652 -0.079 7.660 -2.841 1.00 44.21 H new ATOM 0 HD22 LEU B 652 0.071 6.217 -1.810 1.00 44.21 H new ATOM 0 HD23 LEU B 652 -1.422 6.497 -2.737 1.00 44.21 H new ATOM 905 N VAL B 653 -4.396 5.677 1.390 1.00 11.23 N ATOM 906 CA VAL B 653 -5.000 4.851 2.429 1.00 73.31 C ATOM 907 C VAL B 653 -5.973 3.841 1.831 1.00 2.13 C ATOM 908 O VAL B 653 -5.891 2.644 2.108 1.00 21.42 O ATOM 909 CB VAL B 653 -5.743 5.710 3.469 1.00 33.32 C ATOM 910 CG1 VAL B 653 -6.600 4.834 4.370 1.00 33.13 C ATOM 911 CG2 VAL B 653 -4.755 6.527 4.288 1.00 13.30 C ATOM 0 H VAL B 653 -4.504 6.681 1.534 1.00 11.23 H new ATOM 0 HA VAL B 653 -4.187 4.319 2.923 1.00 73.31 H new ATOM 0 HB VAL B 653 -6.401 6.401 2.942 1.00 33.32 H new ATOM 0 HG11 VAL B 653 -7.118 5.458 5.099 1.00 33.13 H new ATOM 0 HG12 VAL B 653 -7.332 4.298 3.766 1.00 33.13 H new ATOM 0 HG13 VAL B 653 -5.965 4.118 4.892 1.00 33.13 H new ATOM 0 HG21 VAL B 653 -5.297 7.128 5.018 1.00 13.30 H new ATOM 0 HG22 VAL B 653 -4.070 5.856 4.807 1.00 13.30 H new ATOM 0 HG23 VAL B 653 -4.189 7.183 3.627 1.00 13.30 H new ATOM 921 N VAL B 654 -6.896 4.332 1.008 1.00 54.25 N ATOM 922 CA VAL B 654 -7.885 3.472 0.370 1.00 11.11 C ATOM 923 C VAL B 654 -7.214 2.345 -0.407 1.00 53.01 C ATOM 924 O VAL B 654 -7.716 1.221 -0.449 1.00 33.34 O ATOM 925 CB VAL B 654 -8.789 4.273 -0.587 1.00 55.22 C ATOM 926 CG1 VAL B 654 -9.776 3.350 -1.285 1.00 12.13 C ATOM 927 CG2 VAL B 654 -9.517 5.375 0.166 1.00 13.52 C ATOM 0 H VAL B 654 -6.979 5.320 0.768 1.00 54.25 H new ATOM 0 HA VAL B 654 -8.496 3.046 1.166 1.00 11.11 H new ATOM 0 HB VAL B 654 -8.163 4.738 -1.348 1.00 55.22 H new ATOM 0 HG11 VAL B 654 -10.406 3.933 -1.957 1.00 12.13 H new ATOM 0 HG12 VAL B 654 -9.230 2.600 -1.858 1.00 12.13 H new ATOM 0 HG13 VAL B 654 -10.400 2.855 -0.541 1.00 12.13 H new ATOM 0 HG21 VAL B 654 -10.151 5.931 -0.525 1.00 13.52 H new ATOM 0 HG22 VAL B 654 -10.134 4.934 0.949 1.00 13.52 H new ATOM 0 HG23 VAL B 654 -8.789 6.051 0.614 1.00 13.52 H new ATOM 937 N ILE B 655 -6.076 2.652 -1.020 1.00 73.43 N ATOM 938 CA ILE B 655 -5.334 1.664 -1.795 1.00 13.33 C ATOM 939 C ILE B 655 -4.762 0.576 -0.892 1.00 2.54 C ATOM 940 O ILE B 655 -4.978 -0.614 -1.123 1.00 40.42 O ATOM 941 CB ILE B 655 -4.186 2.316 -2.586 1.00 63.32 C ATOM 942 CG1 ILE B 655 -4.743 3.286 -3.630 1.00 31.20 C ATOM 943 CG2 ILE B 655 -3.329 1.249 -3.252 1.00 14.22 C ATOM 944 CD1 ILE B 655 -3.775 4.386 -4.009 1.00 3.54 C ATOM 0 H ILE B 655 -5.647 3.577 -0.995 1.00 73.43 H new ATOM 0 HA ILE B 655 -6.039 1.218 -2.497 1.00 13.33 H new ATOM 0 HB ILE B 655 -3.560 2.878 -1.892 1.00 63.32 H new ATOM 0 HG12 ILE B 655 -5.014 2.727 -4.526 1.00 31.20 H new ATOM 0 HG13 ILE B 655 -5.659 3.735 -3.245 1.00 31.20 H new ATOM 0 HG21 ILE B 655 -2.521 1.726 -3.808 1.00 14.22 H new ATOM 0 HG22 ILE B 655 -2.908 0.593 -2.490 1.00 14.22 H new ATOM 0 HG23 ILE B 655 -3.943 0.663 -3.936 1.00 14.22 H new ATOM 0 HD11 ILE B 655 -4.236 5.036 -4.753 1.00 3.54 H new ATOM 0 HD12 ILE B 655 -3.523 4.970 -3.124 1.00 3.54 H new ATOM 0 HD13 ILE B 655 -2.868 3.946 -4.424 1.00 3.54 H new ATOM 956 N PHE B 656 -4.033 0.992 0.137 1.00 12.01 N ATOM 957 CA PHE B 656 -3.429 0.054 1.076 1.00 52.53 C ATOM 958 C PHE B 656 -4.494 -0.821 1.732 1.00 3.04 C ATOM 959 O PHE B 656 -4.293 -2.018 1.932 1.00 72.03 O ATOM 960 CB PHE B 656 -2.641 0.807 2.149 1.00 1.20 C ATOM 961 CG PHE B 656 -2.252 -0.049 3.320 1.00 51.32 C ATOM 962 CD1 PHE B 656 -1.815 -1.350 3.129 1.00 71.14 C ATOM 963 CD2 PHE B 656 -2.323 0.447 4.612 1.00 4.41 C ATOM 964 CE1 PHE B 656 -1.458 -2.140 4.205 1.00 70.13 C ATOM 965 CE2 PHE B 656 -1.966 -0.339 5.691 1.00 54.42 C ATOM 966 CZ PHE B 656 -1.532 -1.634 5.488 1.00 62.40 C ATOM 0 H PHE B 656 -3.846 1.973 0.342 1.00 12.01 H new ATOM 0 HA PHE B 656 -2.747 -0.589 0.519 1.00 52.53 H new ATOM 0 HB2 PHE B 656 -1.740 1.225 1.700 1.00 1.20 H new ATOM 0 HB3 PHE B 656 -3.239 1.646 2.505 1.00 1.20 H new ATOM 0 HD1 PHE B 656 -1.753 -1.751 2.128 1.00 71.14 H new ATOM 0 HD2 PHE B 656 -2.661 1.459 4.777 1.00 4.41 H new ATOM 0 HE1 PHE B 656 -1.121 -3.153 4.043 1.00 70.13 H new ATOM 0 HE2 PHE B 656 -2.026 0.060 6.693 1.00 54.42 H new ATOM 0 HZ PHE B 656 -1.251 -2.249 6.330 1.00 62.40 H new ATOM 976 N MET B 657 -5.628 -0.212 2.064 1.00 12.52 N ATOM 977 CA MET B 657 -6.726 -0.935 2.696 1.00 33.45 C ATOM 978 C MET B 657 -7.417 -1.857 1.697 1.00 40.24 C ATOM 979 O MET B 657 -7.535 -3.060 1.929 1.00 10.43 O ATOM 980 CB MET B 657 -7.740 0.049 3.285 1.00 71.14 C ATOM 981 CG MET B 657 -7.195 0.858 4.452 1.00 45.22 C ATOM 982 SD MET B 657 -8.490 1.409 5.578 1.00 75.41 S ATOM 983 CE MET B 657 -9.300 2.656 4.580 1.00 41.54 C ATOM 0 H MET B 657 -5.811 0.779 1.906 1.00 12.52 H new ATOM 0 HA MET B 657 -6.312 -1.544 3.499 1.00 33.45 H new ATOM 0 HB2 MET B 657 -8.068 0.732 2.502 1.00 71.14 H new ATOM 0 HB3 MET B 657 -8.620 -0.503 3.616 1.00 71.14 H new ATOM 0 HG2 MET B 657 -6.473 0.254 5.002 1.00 45.22 H new ATOM 0 HG3 MET B 657 -6.659 1.726 4.069 1.00 45.22 H new ATOM 0 HE1 MET B 657 -9.155 3.636 5.034 1.00 41.54 H new ATOM 0 HE2 MET B 657 -8.872 2.654 3.577 1.00 41.54 H new ATOM 0 HE3 MET B 657 -10.366 2.438 4.520 1.00 41.54 H new ATOM 993 N MET B 658 -7.871 -1.286 0.587 1.00 2.11 N ATOM 994 CA MET B 658 -8.549 -2.058 -0.447 1.00 40.24 C ATOM 995 C MET B 658 -7.664 -3.197 -0.943 1.00 64.24 C ATOM 996 O MET B 658 -8.077 -4.358 -0.960 1.00 25.33 O ATOM 997 CB MET B 658 -8.940 -1.153 -1.617 1.00 72.24 C ATOM 998 CG MET B 658 -10.161 -0.292 -1.338 1.00 73.44 C ATOM 999 SD MET B 658 -10.897 0.376 -2.841 1.00 2.53 S ATOM 1000 CE MET B 658 -9.435 0.889 -3.737 1.00 64.32 C ATOM 0 H MET B 658 -7.782 -0.291 0.380 1.00 2.11 H new ATOM 0 HA MET B 658 -9.452 -2.486 -0.012 1.00 40.24 H new ATOM 0 HB2 MET B 658 -8.098 -0.506 -1.862 1.00 72.24 H new ATOM 0 HB3 MET B 658 -9.134 -1.770 -2.494 1.00 72.24 H new ATOM 0 HG2 MET B 658 -10.905 -0.885 -0.806 1.00 73.44 H new ATOM 0 HG3 MET B 658 -9.879 0.530 -0.680 1.00 73.44 H new ATOM 0 HE1 MET B 658 -9.668 1.765 -4.342 1.00 64.32 H new ATOM 0 HE2 MET B 658 -8.643 1.136 -3.030 1.00 64.32 H new ATOM 0 HE3 MET B 658 -9.103 0.078 -4.385 1.00 64.32 H new ATOM 1010 N LEU B 659 -6.444 -2.859 -1.349 1.00 2.25 N ATOM 1011 CA LEU B 659 -5.500 -3.854 -1.847 1.00 34.35 C ATOM 1012 C LEU B 659 -5.304 -4.975 -0.831 1.00 4.01 C ATOM 1013 O LEU B 659 -5.402 -6.154 -1.167 1.00 34.41 O ATOM 1014 CB LEU B 659 -4.155 -3.195 -2.162 1.00 11.53 C ATOM 1015 CG LEU B 659 -4.122 -2.298 -3.399 1.00 31.44 C ATOM 1016 CD1 LEU B 659 -2.701 -1.836 -3.686 1.00 42.53 C ATOM 1017 CD2 LEU B 659 -4.702 -3.025 -4.603 1.00 30.20 C ATOM 0 H LEU B 659 -6.086 -1.904 -1.343 1.00 2.25 H new ATOM 0 HA LEU B 659 -5.911 -4.284 -2.760 1.00 34.35 H new ATOM 0 HB2 LEU B 659 -3.853 -2.602 -1.299 1.00 11.53 H new ATOM 0 HB3 LEU B 659 -3.409 -3.980 -2.287 1.00 11.53 H new ATOM 0 HG LEU B 659 -4.735 -1.419 -3.202 1.00 31.44 H new ATOM 0 HD11 LEU B 659 -2.697 -1.198 -4.570 1.00 42.53 H new ATOM 0 HD12 LEU B 659 -2.321 -1.275 -2.832 1.00 42.53 H new ATOM 0 HD13 LEU B 659 -2.065 -2.704 -3.862 1.00 42.53 H new ATOM 0 HD21 LEU B 659 -4.670 -2.370 -5.474 1.00 30.20 H new ATOM 0 HD22 LEU B 659 -4.117 -3.923 -4.802 1.00 30.20 H new ATOM 0 HD23 LEU B 659 -5.735 -3.304 -4.397 1.00 30.20 H new ATOM 1029 N GLY B 660 -5.030 -4.598 0.414 1.00 30.34 N ATOM 1030 CA GLY B 660 -4.827 -5.583 1.460 1.00 22.22 C ATOM 1031 C GLY B 660 -6.051 -6.450 1.686 1.00 63.40 C ATOM 1032 O GLY B 660 -5.959 -7.676 1.685 1.00 41.05 O ATOM 0 H GLY B 660 -4.945 -3.628 0.717 1.00 30.34 H new ATOM 0 HA2 GLY B 660 -3.980 -6.217 1.198 1.00 22.22 H new ATOM 0 HA3 GLY B 660 -4.569 -5.074 2.389 1.00 22.22 H new ATOM 1036 N GLY B 661 -7.199 -5.810 1.880 1.00 2.44 N ATOM 1037 CA GLY B 661 -8.429 -6.546 2.107 1.00 51.51 C ATOM 1038 C GLY B 661 -8.859 -7.344 0.892 1.00 45.43 C ATOM 1039 O GLY B 661 -9.463 -8.410 1.021 1.00 11.02 O ATOM 0 H GLY B 661 -7.300 -4.795 1.884 1.00 2.44 H new ATOM 0 HA2 GLY B 661 -8.294 -7.221 2.952 1.00 51.51 H new ATOM 0 HA3 GLY B 661 -9.221 -5.849 2.379 1.00 51.51 H new ATOM 1043 N THR B 662 -8.551 -6.828 -0.293 1.00 30.31 N ATOM 1044 CA THR B 662 -8.911 -7.498 -1.536 1.00 21.21 C ATOM 1045 C THR B 662 -8.025 -8.713 -1.783 1.00 64.21 C ATOM 1046 O THR B 662 -8.518 -9.814 -2.031 1.00 23.32 O ATOM 1047 CB THR B 662 -8.803 -6.543 -2.741 1.00 52.02 C ATOM 1048 OG1 THR B 662 -9.784 -5.507 -2.634 1.00 22.50 O ATOM 1049 CG2 THR B 662 -8.994 -7.298 -4.048 1.00 13.42 C ATOM 0 H THR B 662 -8.052 -5.947 -0.418 1.00 30.31 H new ATOM 0 HA THR B 662 -9.946 -7.823 -1.431 1.00 21.21 H new ATOM 0 HB THR B 662 -7.807 -6.100 -2.738 1.00 52.02 H new ATOM 0 HG1 THR B 662 -9.464 -4.816 -2.018 1.00 22.50 H new ATOM 0 HG21 THR B 662 -8.914 -6.604 -4.884 1.00 13.42 H new ATOM 0 HG22 THR B 662 -8.227 -8.067 -4.140 1.00 13.42 H new ATOM 0 HG23 THR B 662 -9.979 -7.765 -4.058 1.00 13.42 H new ATOM 1057 N PHE B 663 -6.714 -8.507 -1.714 1.00 75.40 N ATOM 1058 CA PHE B 663 -5.758 -9.586 -1.930 1.00 52.12 C ATOM 1059 C PHE B 663 -6.020 -10.745 -0.972 1.00 42.45 C ATOM 1060 O PHE B 663 -6.209 -11.886 -1.396 1.00 5.13 O ATOM 1061 CB PHE B 663 -4.327 -9.075 -1.749 1.00 22.25 C ATOM 1062 CG PHE B 663 -3.336 -9.729 -2.667 1.00 64.24 C ATOM 1063 CD1 PHE B 663 -3.218 -11.110 -2.711 1.00 24.35 C ATOM 1064 CD2 PHE B 663 -2.520 -8.965 -3.487 1.00 54.41 C ATOM 1065 CE1 PHE B 663 -2.306 -11.714 -3.554 1.00 73.14 C ATOM 1066 CE2 PHE B 663 -1.606 -9.565 -4.332 1.00 22.42 C ATOM 1067 CZ PHE B 663 -1.499 -10.941 -4.366 1.00 51.44 C ATOM 0 H PHE B 663 -6.290 -7.602 -1.510 1.00 75.40 H new ATOM 0 HA PHE B 663 -5.881 -9.946 -2.952 1.00 52.12 H new ATOM 0 HB2 PHE B 663 -4.310 -7.998 -1.917 1.00 22.25 H new ATOM 0 HB3 PHE B 663 -4.018 -9.241 -0.717 1.00 22.25 H new ATOM 0 HD1 PHE B 663 -3.846 -11.720 -2.079 1.00 24.35 H new ATOM 0 HD2 PHE B 663 -2.600 -7.888 -3.465 1.00 54.41 H new ATOM 0 HE1 PHE B 663 -2.224 -12.791 -3.578 1.00 73.14 H new ATOM 0 HE2 PHE B 663 -0.976 -8.958 -4.965 1.00 22.42 H new ATOM 0 HZ PHE B 663 -0.786 -11.412 -5.026 1.00 51.44 H new ATOM 1077 N LEU B 664 -6.029 -10.445 0.322 1.00 71.33 N ATOM 1078 CA LEU B 664 -6.266 -11.461 1.341 1.00 21.35 C ATOM 1079 C LEU B 664 -7.606 -12.154 1.116 1.00 75.03 C ATOM 1080 O LEU B 664 -7.696 -13.381 1.160 1.00 54.05 O ATOM 1081 CB LEU B 664 -6.234 -10.830 2.734 1.00 15.14 C ATOM 1082 CG LEU B 664 -4.894 -10.238 3.173 1.00 70.13 C ATOM 1083 CD1 LEU B 664 -4.897 -9.957 4.667 1.00 53.13 C ATOM 1084 CD2 LEU B 664 -3.752 -11.175 2.807 1.00 62.13 C ATOM 0 H LEU B 664 -5.875 -9.506 0.690 1.00 71.33 H new ATOM 0 HA LEU B 664 -5.474 -12.207 1.268 1.00 21.35 H new ATOM 0 HB2 LEU B 664 -6.986 -10.042 2.771 1.00 15.14 H new ATOM 0 HB3 LEU B 664 -6.529 -11.587 3.461 1.00 15.14 H new ATOM 0 HG LEU B 664 -4.747 -9.294 2.648 1.00 70.13 H new ATOM 0 HD11 LEU B 664 -3.935 -9.536 4.960 1.00 53.13 H new ATOM 0 HD12 LEU B 664 -5.690 -9.247 4.902 1.00 53.13 H new ATOM 0 HD13 LEU B 664 -5.068 -10.886 5.212 1.00 53.13 H new ATOM 0 HD21 LEU B 664 -2.806 -10.738 3.127 1.00 62.13 H new ATOM 0 HD22 LEU B 664 -3.895 -12.134 3.304 1.00 62.13 H new ATOM 0 HD23 LEU B 664 -3.736 -11.325 1.727 1.00 62.13 H new ATOM 1096 N TYR B 665 -8.644 -11.362 0.872 1.00 52.01 N ATOM 1097 CA TYR B 665 -9.978 -11.900 0.641 1.00 44.45 C ATOM 1098 C TYR B 665 -9.988 -12.829 -0.570 1.00 42.13 C ATOM 1099 O TYR B 665 -10.501 -13.946 -0.506 1.00 13.52 O ATOM 1100 CB TYR B 665 -10.981 -10.764 0.433 1.00 55.10 C ATOM 1101 CG TYR B 665 -12.279 -11.209 -0.202 1.00 62.11 C ATOM 1102 CD1 TYR B 665 -12.431 -11.221 -1.583 1.00 61.12 C ATOM 1103 CD2 TYR B 665 -13.352 -11.618 0.579 1.00 13.04 C ATOM 1104 CE1 TYR B 665 -13.616 -11.627 -2.167 1.00 35.22 C ATOM 1105 CE2 TYR B 665 -14.540 -12.026 0.004 1.00 2.43 C ATOM 1106 CZ TYR B 665 -14.667 -12.028 -1.370 1.00 52.22 C ATOM 1107 OH TYR B 665 -15.847 -12.434 -1.948 1.00 44.32 O ATOM 0 H TYR B 665 -8.587 -10.345 0.829 1.00 52.01 H new ATOM 0 HA TYR B 665 -10.267 -12.475 1.521 1.00 44.45 H new ATOM 0 HB2 TYR B 665 -11.198 -10.301 1.396 1.00 55.10 H new ATOM 0 HB3 TYR B 665 -10.524 -9.998 -0.193 1.00 55.10 H new ATOM 0 HD1 TYR B 665 -11.610 -10.908 -2.210 1.00 61.12 H new ATOM 0 HD2 TYR B 665 -13.256 -11.617 1.655 1.00 13.04 H new ATOM 0 HE1 TYR B 665 -13.718 -11.630 -3.242 1.00 35.22 H new ATOM 0 HE2 TYR B 665 -15.364 -12.342 0.626 1.00 2.43 H new ATOM 0 HH TYR B 665 -16.485 -12.685 -1.248 1.00 44.32 H new ATOM 1117 N TRP B 666 -9.417 -12.358 -1.673 1.00 63.32 N ATOM 1118 CA TRP B 666 -9.359 -13.145 -2.900 1.00 71.22 C ATOM 1119 C TRP B 666 -8.651 -14.475 -2.660 1.00 11.11 C ATOM 1120 O TRP B 666 -9.181 -15.537 -2.985 1.00 43.13 O ATOM 1121 CB TRP B 666 -8.641 -12.362 -3.999 1.00 61.33 C ATOM 1122 CG TRP B 666 -9.235 -12.567 -5.360 1.00 33.05 C ATOM 1123 CD1 TRP B 666 -10.265 -11.864 -5.919 1.00 74.30 C ATOM 1124 CD2 TRP B 666 -8.838 -13.540 -6.332 1.00 33.12 C ATOM 1125 NE1 TRP B 666 -10.531 -12.342 -7.178 1.00 63.14 N ATOM 1126 CE2 TRP B 666 -9.668 -13.370 -7.456 1.00 51.51 C ATOM 1127 CE3 TRP B 666 -7.859 -14.538 -6.362 1.00 33.15 C ATOM 1128 CZ2 TRP B 666 -9.550 -14.161 -8.595 1.00 42.33 C ATOM 1129 CZ3 TRP B 666 -7.743 -15.322 -7.493 1.00 2.12 C ATOM 1130 CH2 TRP B 666 -8.584 -15.131 -8.598 1.00 33.34 C ATOM 0 H TRP B 666 -8.988 -11.435 -1.743 1.00 63.32 H new ATOM 0 HA TRP B 666 -10.381 -13.351 -3.219 1.00 71.22 H new ATOM 0 HB2 TRP B 666 -8.668 -11.300 -3.755 1.00 61.33 H new ATOM 0 HB3 TRP B 666 -7.592 -12.658 -4.020 1.00 61.33 H new ATOM 0 HD1 TRP B 666 -10.792 -11.052 -5.441 1.00 74.30 H new ATOM 0 HE1 TRP B 666 -11.254 -11.989 -7.805 1.00 63.14 H new ATOM 0 HE3 TRP B 666 -7.206 -14.693 -5.516 1.00 33.15 H new ATOM 0 HZ2 TRP B 666 -10.198 -14.015 -9.447 1.00 42.33 H new ATOM 0 HZ3 TRP B 666 -6.991 -16.096 -7.527 1.00 2.12 H new ATOM 0 HH2 TRP B 666 -8.468 -15.761 -9.468 1.00 33.34 H new ATOM 1141 N ARG B 667 -7.453 -14.408 -2.090 1.00 32.42 N ATOM 1142 CA ARG B 667 -6.672 -15.606 -1.808 1.00 44.10 C ATOM 1143 C ARG B 667 -7.496 -16.618 -1.017 1.00 4.04 C ATOM 1144 O ARG B 667 -7.626 -17.776 -1.414 1.00 32.42 O ATOM 1145 CB ARG B 667 -5.405 -15.246 -1.031 1.00 3.23 C ATOM 1146 CG ARG B 667 -4.318 -14.625 -1.893 1.00 12.32 C ATOM 1147 CD ARG B 667 -3.196 -14.049 -1.044 1.00 30.45 C ATOM 1148 NE ARG B 667 -2.460 -15.088 -0.330 1.00 34.10 N ATOM 1149 CZ ARG B 667 -1.500 -15.821 -0.884 1.00 2.41 C ATOM 1150 NH1 ARG B 667 -1.164 -15.630 -2.152 1.00 44.41 N ATOM 1151 NH2 ARG B 667 -0.876 -16.748 -0.170 1.00 53.23 N ATOM 0 H ARG B 667 -7.002 -13.536 -1.814 1.00 32.42 H new ATOM 0 HA ARG B 667 -6.390 -16.056 -2.760 1.00 44.10 H new ATOM 0 HB2 ARG B 667 -5.664 -14.552 -0.232 1.00 3.23 H new ATOM 0 HB3 ARG B 667 -5.012 -16.145 -0.557 1.00 3.23 H new ATOM 0 HG2 ARG B 667 -3.914 -15.378 -2.570 1.00 12.32 H new ATOM 0 HG3 ARG B 667 -4.748 -13.838 -2.512 1.00 12.32 H new ATOM 0 HD2 ARG B 667 -2.509 -13.491 -1.681 1.00 30.45 H new ATOM 0 HD3 ARG B 667 -3.611 -13.341 -0.327 1.00 30.45 H new ATOM 0 HE ARG B 667 -2.695 -15.261 0.647 1.00 34.10 H new ATOM 0 HH11 ARG B 667 -1.643 -14.919 -2.705 1.00 44.41 H new ATOM 0 HH12 ARG B 667 -0.427 -16.194 -2.575 1.00 44.41 H new ATOM 0 HH21 ARG B 667 -1.133 -16.899 0.806 1.00 53.23 H new ATOM 0 HH22 ARG B 667 -0.139 -17.310 -0.596 1.00 53.23 H new ATOM 1165 N GLY B 668 -8.053 -16.172 0.105 1.00 13.04 N ATOM 1166 CA GLY B 668 -8.857 -17.051 0.934 1.00 32.24 C ATOM 1167 C GLY B 668 -10.140 -17.479 0.251 1.00 3.32 C ATOM 1168 O GLY B 668 -10.720 -18.510 0.593 1.00 53.30 O ATOM 0 H GLY B 668 -7.962 -15.218 0.454 1.00 13.04 H new ATOM 0 HA2 GLY B 668 -8.274 -17.935 1.192 1.00 32.24 H new ATOM 0 HA3 GLY B 668 -9.098 -16.544 1.868 1.00 32.24 H new ATOM 1172 N ARG B 669 -10.587 -16.686 -0.718 1.00 14.23 N ATOM 1173 CA ARG B 669 -11.812 -16.987 -1.448 1.00 43.03 C ATOM 1174 C ARG B 669 -11.621 -18.204 -2.350 1.00 1.14 C ATOM 1175 O ARG B 669 -12.221 -19.255 -2.125 1.00 63.23 O ATOM 1176 CB ARG B 669 -12.241 -15.781 -2.286 1.00 53.40 C ATOM 1177 CG ARG B 669 -13.474 -15.073 -1.746 1.00 72.31 C ATOM 1178 CD ARG B 669 -14.685 -15.993 -1.736 1.00 65.04 C ATOM 1179 NE ARG B 669 -14.934 -16.583 -3.048 1.00 44.40 N ATOM 1180 CZ ARG B 669 -15.880 -17.486 -3.280 1.00 4.35 C ATOM 1181 NH1 ARG B 669 -16.663 -17.900 -2.292 1.00 74.24 N ATOM 1182 NH2 ARG B 669 -16.048 -17.976 -4.502 1.00 51.13 N ATOM 0 H ARG B 669 -10.119 -15.830 -1.015 1.00 14.23 H new ATOM 0 HA ARG B 669 -12.593 -17.212 -0.721 1.00 43.03 H new ATOM 0 HB2 ARG B 669 -11.416 -15.070 -2.334 1.00 53.40 H new ATOM 0 HB3 ARG B 669 -12.438 -16.110 -3.306 1.00 53.40 H new ATOM 0 HG2 ARG B 669 -13.277 -14.718 -0.734 1.00 72.31 H new ATOM 0 HG3 ARG B 669 -13.687 -14.195 -2.356 1.00 72.31 H new ATOM 0 HD2 ARG B 669 -14.531 -16.787 -1.005 1.00 65.04 H new ATOM 0 HD3 ARG B 669 -15.564 -15.432 -1.418 1.00 65.04 H new ATOM 0 HE ARG B 669 -14.350 -16.285 -3.829 1.00 44.40 H new ATOM 0 HH11 ARG B 669 -16.539 -17.525 -1.352 1.00 74.24 H new ATOM 0 HH12 ARG B 669 -17.389 -18.594 -2.473 1.00 74.24 H new ATOM 0 HH21 ARG B 669 -15.450 -17.659 -5.265 1.00 51.13 H new ATOM 0 HH22 ARG B 669 -16.775 -18.669 -4.678 1.00 51.13 H new ATOM 1196 N ARG B 670 -10.784 -18.052 -3.371 1.00 14.52 N ATOM 1197 CA ARG B 670 -10.516 -19.137 -4.307 1.00 61.12 C ATOM 1198 C ARG B 670 -9.043 -19.532 -4.274 1.00 23.20 C ATOM 1199 O ARG B 670 -8.698 -20.699 -4.462 1.00 51.13 O ATOM 1200 CB ARG B 670 -10.913 -18.724 -5.726 1.00 31.00 C ATOM 1201 CG ARG B 670 -10.741 -17.239 -5.999 1.00 55.22 C ATOM 1202 CD ARG B 670 -11.144 -16.883 -7.421 1.00 4.42 C ATOM 1203 NE ARG B 670 -12.420 -17.488 -7.794 1.00 4.12 N ATOM 1204 CZ ARG B 670 -12.829 -17.624 -9.052 1.00 33.12 C ATOM 1205 NH1 ARG B 670 -12.066 -17.202 -10.050 1.00 75.41 N ATOM 1206 NH2 ARG B 670 -14.003 -18.184 -9.312 1.00 55.52 N ATOM 0 H ARG B 670 -10.280 -17.188 -3.571 1.00 14.52 H new ATOM 0 HA ARG B 670 -11.112 -19.999 -4.006 1.00 61.12 H new ATOM 0 HB2 ARG B 670 -10.313 -19.288 -6.441 1.00 31.00 H new ATOM 0 HB3 ARG B 670 -11.954 -18.998 -5.897 1.00 31.00 H new ATOM 0 HG2 ARG B 670 -11.344 -16.666 -5.295 1.00 55.22 H new ATOM 0 HG3 ARG B 670 -9.702 -16.955 -5.833 1.00 55.22 H new ATOM 0 HD2 ARG B 670 -11.214 -15.800 -7.518 1.00 4.42 H new ATOM 0 HD3 ARG B 670 -10.369 -17.215 -8.112 1.00 4.42 H new ATOM 0 HE ARG B 670 -13.030 -17.824 -7.049 1.00 4.12 H new ATOM 0 HH11 ARG B 670 -11.162 -16.772 -9.854 1.00 75.41 H new ATOM 0 HH12 ARG B 670 -12.382 -17.308 -11.014 1.00 75.41 H new ATOM 0 HH21 ARG B 670 -14.593 -18.511 -8.547 1.00 55.52 H new ATOM 0 HH22 ARG B 670 -14.316 -18.288 -10.277 1.00 55.52 H new ATOM 1220 N HIS B 671 -8.177 -18.551 -4.034 1.00 43.13 N ATOM 1221 CA HIS B 671 -6.740 -18.797 -3.976 1.00 43.40 C ATOM 1222 C HIS B 671 -6.184 -19.093 -5.366 1.00 33.05 C ATOM 1223 O HIS B 671 -5.432 -18.295 -5.927 1.00 74.35 O ATOM 1224 CB HIS B 671 -6.438 -19.963 -3.035 1.00 3.43 C ATOM 1225 CG HIS B 671 -5.009 -20.021 -2.592 1.00 61.52 C ATOM 1226 ND1 HIS B 671 -4.046 -20.754 -3.253 1.00 32.54 N ATOM 1227 CD2 HIS B 671 -4.380 -19.429 -1.550 1.00 2.30 C ATOM 1228 CE1 HIS B 671 -2.886 -20.612 -2.635 1.00 11.43 C ATOM 1229 NE2 HIS B 671 -3.062 -19.812 -1.598 1.00 53.51 N ATOM 0 H HIS B 671 -8.445 -17.580 -3.877 1.00 43.13 H new ATOM 0 HA HIS B 671 -6.257 -17.898 -3.594 1.00 43.40 H new ATOM 0 HB2 HIS B 671 -7.079 -19.886 -2.157 1.00 3.43 H new ATOM 0 HB3 HIS B 671 -6.693 -20.898 -3.535 1.00 3.43 H new ATOM 0 HD2 HIS B 671 -4.831 -18.777 -0.817 1.00 2.30 H new ATOM 0 HE1 HIS B 671 -1.953 -21.071 -2.928 1.00 11.43 H new ATOM 0 HE2 HIS B 671 -2.337 -19.526 -0.940 1.00 53.51 H new ATOM 1237 N HIS B 672 -6.557 -20.244 -5.915 1.00 2.03 N ATOM 1238 CA HIS B 672 -6.094 -20.645 -7.240 1.00 13.44 C ATOM 1239 C HIS B 672 -4.581 -20.829 -7.253 1.00 73.43 C ATOM 1240 O HIS B 672 -3.872 -20.293 -6.401 1.00 60.32 O ATOM 1241 CB HIS B 672 -6.503 -19.604 -8.282 1.00 24.11 C ATOM 1242 CG HIS B 672 -6.247 -20.037 -9.693 1.00 13.22 C ATOM 1243 ND1 HIS B 672 -5.274 -19.470 -10.489 1.00 21.02 N ATOM 1244 CD2 HIS B 672 -6.842 -20.988 -10.449 1.00 44.40 C ATOM 1245 CE1 HIS B 672 -5.282 -20.053 -11.674 1.00 3.55 C ATOM 1246 NE2 HIS B 672 -6.225 -20.978 -11.676 1.00 54.52 N ATOM 0 H HIS B 672 -7.178 -20.916 -5.464 1.00 2.03 H new ATOM 0 HA HIS B 672 -6.560 -21.599 -7.488 1.00 13.44 H new ATOM 0 HB2 HIS B 672 -7.564 -19.382 -8.165 1.00 24.11 H new ATOM 0 HB3 HIS B 672 -5.961 -18.678 -8.091 1.00 24.11 H new ATOM 0 HD2 HIS B 672 -7.652 -21.635 -10.144 1.00 44.40 H new ATOM 0 HE1 HIS B 672 -4.629 -19.814 -12.500 1.00 3.55 H new ATOM 0 HE2 HIS B 672 -6.457 -21.586 -12.461 1.00 54.52 H new ATOM 1254 N HIS B 673 -4.090 -21.591 -8.226 1.00 25.04 N ATOM 1255 CA HIS B 673 -2.659 -21.846 -8.350 1.00 24.20 C ATOM 1256 C HIS B 673 -1.893 -20.544 -8.569 1.00 55.25 C ATOM 1257 O HIS B 673 -2.476 -19.522 -8.929 1.00 64.24 O ATOM 1258 CB HIS B 673 -2.390 -22.810 -9.506 1.00 62.21 C ATOM 1259 CG HIS B 673 -2.129 -24.216 -9.064 1.00 55.34 C ATOM 1260 ND1 HIS B 673 -3.057 -25.229 -9.186 1.00 40.24 N ATOM 1261 CD2 HIS B 673 -1.034 -24.778 -8.498 1.00 41.41 C ATOM 1262 CE1 HIS B 673 -2.546 -26.352 -8.714 1.00 13.32 C ATOM 1263 NE2 HIS B 673 -1.319 -26.106 -8.290 1.00 23.11 N ATOM 0 H HIS B 673 -4.662 -22.042 -8.940 1.00 25.04 H new ATOM 0 HA HIS B 673 -2.313 -22.299 -7.421 1.00 24.20 H new ATOM 0 HB2 HIS B 673 -3.246 -22.803 -10.181 1.00 62.21 H new ATOM 0 HB3 HIS B 673 -1.532 -22.452 -10.075 1.00 62.21 H new ATOM 0 HD2 HIS B 673 -0.109 -24.276 -8.255 1.00 41.41 H new ATOM 0 HE1 HIS B 673 -3.046 -27.309 -8.680 1.00 13.32 H new ATOM 0 HE2 HIS B 673 -0.686 -26.790 -7.876 1.00 23.11 H new ATOM 1271 N HIS B 674 -0.583 -20.591 -8.347 1.00 34.20 N ATOM 1272 CA HIS B 674 0.264 -19.416 -8.519 1.00 23.44 C ATOM 1273 C HIS B 674 0.053 -18.791 -9.895 1.00 4.10 C ATOM 1274 O HIS B 674 -0.509 -19.418 -10.794 1.00 52.35 O ATOM 1275 CB HIS B 674 1.735 -19.790 -8.335 1.00 64.33 C ATOM 1276 CG HIS B 674 2.133 -21.033 -9.071 1.00 30.13 C ATOM 1277 ND1 HIS B 674 1.730 -21.306 -10.361 1.00 72.12 N ATOM 1278 CD2 HIS B 674 2.904 -22.078 -8.690 1.00 75.23 C ATOM 1279 CE1 HIS B 674 2.234 -22.467 -10.740 1.00 23.44 C ATOM 1280 NE2 HIS B 674 2.951 -22.955 -9.744 1.00 61.43 N ATOM 0 H HIS B 674 -0.085 -21.430 -8.048 1.00 34.20 H new ATOM 0 HA HIS B 674 -0.014 -18.684 -7.761 1.00 23.44 H new ATOM 0 HB2 HIS B 674 2.357 -18.962 -8.674 1.00 64.33 H new ATOM 0 HB3 HIS B 674 1.937 -19.926 -7.273 1.00 64.33 H new ATOM 0 HD2 HIS B 674 3.392 -22.199 -7.734 1.00 75.23 H new ATOM 0 HE1 HIS B 674 2.085 -22.937 -11.701 1.00 23.44 H new ATOM 0 HE2 HIS B 674 3.458 -23.840 -9.756 1.00 61.43 H new ATOM 1288 N HIS B 675 0.506 -17.552 -10.053 1.00 31.03 N ATOM 1289 CA HIS B 675 0.367 -16.842 -11.319 1.00 45.42 C ATOM 1290 C HIS B 675 1.651 -16.932 -12.137 1.00 72.32 C ATOM 1291 O HIS B 675 2.678 -16.363 -11.764 1.00 42.41 O ATOM 1292 CB HIS B 675 0.008 -15.376 -11.070 1.00 40.14 C ATOM 1293 CG HIS B 675 -0.295 -14.613 -12.323 1.00 1.20 C ATOM 1294 ND1 HIS B 675 0.680 -14.024 -13.099 1.00 61.13 N ATOM 1295 CD2 HIS B 675 -1.473 -14.345 -12.933 1.00 31.44 C ATOM 1296 CE1 HIS B 675 0.116 -13.426 -14.133 1.00 23.12 C ATOM 1297 NE2 HIS B 675 -1.191 -13.605 -14.056 1.00 54.43 N ATOM 0 H HIS B 675 0.973 -17.018 -9.320 1.00 31.03 H new ATOM 0 HA HIS B 675 -0.437 -17.314 -11.885 1.00 45.42 H new ATOM 0 HB2 HIS B 675 -0.857 -15.329 -10.408 1.00 40.14 H new ATOM 0 HB3 HIS B 675 0.834 -14.891 -10.550 1.00 40.14 H new ATOM 0 HD2 HIS B 675 -2.452 -14.655 -12.599 1.00 31.44 H new ATOM 0 HE1 HIS B 675 0.635 -12.883 -14.909 1.00 23.12 H new ATOM 0 HE2 HIS B 675 -1.878 -13.252 -14.722 1.00 54.43 H new ATOM 1305 N HIS B 676 1.588 -17.651 -13.253 1.00 34.34 N ATOM 1306 CA HIS B 676 2.747 -17.815 -14.123 1.00 50.44 C ATOM 1307 C HIS B 676 3.294 -16.460 -14.561 1.00 44.14 C ATOM 1308 O HIS B 676 4.508 -16.257 -14.612 1.00 50.42 O ATOM 1309 CB HIS B 676 2.376 -18.649 -15.350 1.00 13.03 C ATOM 1310 CG HIS B 676 1.333 -18.010 -16.215 1.00 64.35 C ATOM 1311 ND1 HIS B 676 1.595 -16.935 -17.038 1.00 21.13 N ATOM 1312 CD2 HIS B 676 0.023 -18.302 -16.385 1.00 31.01 C ATOM 1313 CE1 HIS B 676 0.489 -16.591 -17.675 1.00 74.03 C ATOM 1314 NE2 HIS B 676 -0.479 -17.407 -17.297 1.00 34.12 N ATOM 0 H HIS B 676 0.747 -18.129 -13.576 1.00 34.34 H new ATOM 0 HA HIS B 676 3.522 -18.335 -13.560 1.00 50.44 H new ATOM 0 HB2 HIS B 676 3.272 -18.824 -15.945 1.00 13.03 H new ATOM 0 HB3 HIS B 676 2.016 -19.624 -15.021 1.00 13.03 H new ATOM 0 HD2 HIS B 676 -0.526 -19.092 -15.894 1.00 31.01 H new ATOM 0 HE1 HIS B 676 0.393 -15.781 -18.383 1.00 74.03 H new ATOM 0 HE2 HIS B 676 -1.443 -17.377 -17.629 1.00 34.12 H new TER 1322 HIS B 676