USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=17 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 Single : A 637 MET CE :methyl 162:sc= -0.0115 (180deg=-0.211) USER MOD Single : A 640 THR OG1 : rot 180:sc= 0 USER MOD Single : A 641 HIS :FLIP no HD1:sc= -0.874 F(o=-1.5,f=-0.87) USER MOD Single : A 643 THR OG1 : rot 86:sc= 0.345 USER MOD Single : A 644 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 647 THR OG1 : rot 69:sc= 0.552 USER MOD Single : A 657 MET CE :methyl -111:sc= -0.472 (180deg=-4.62!) USER MOD Single : A 658 MET CE :methyl -148:sc= -1.95 (180deg=-4.01!) USER MOD Single : A 662 THR OG1 : rot 80:sc= 1.18 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 671 HIS : no HD1:sc=-0.00655 X(o=-0.0066,f=-0.12) USER MOD Single : A 672 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.2) USER MOD Single : A 673 HIS : no HD1:sc= -0.0247 X(o=-0.025,f=-0.13) USER MOD Single : A 674 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 675 HIS : no HD1:sc= -0.265 X(o=-0.27,f=-0.01) USER MOD Single : A 676 HIS : no HD1:sc= -0.0872 X(o=-0.087,f=-0.00023) 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 HE2:sc= -0.208 K(o=-0.21,f=-2.8!) USER MOD Single : B 643 THR OG1 : rot 86:sc= 0.375 USER MOD Single : B 644 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 647 THR OG1 : rot 68:sc= 0.486 USER MOD Single : B 657 MET CE :methyl -111:sc= -0.448 (180deg=-4.55!) USER MOD Single : B 658 MET CE :methyl -149:sc= -1.91 (180deg=-3.93!) USER MOD Single : B 662 THR OG1 : rot 80:sc= 1.13 USER MOD Single : B 665 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.2) USER MOD Single : B 672 HIS : no HD1:sc= -0.48 X(o=-0.48,f=-0.14) USER MOD Single : B 673 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 674 HIS : no HD1:sc= 0.00794 X(o=0.0079,f=-0.36) USER MOD Single : B 675 HIS : no HD1:sc= -0.391 X(o=-0.39,f=-0.76) USER MOD Single : B 676 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 637 -3.405 26.268 9.935 1.00 64.11 N ATOM 2 CA MET A 637 -2.518 26.021 8.803 1.00 5.12 C ATOM 3 C MET A 637 -1.209 26.788 8.961 1.00 45.13 C ATOM 4 O MET A 637 -1.202 28.015 9.038 1.00 3.25 O ATOM 5 CB MET A 637 -3.203 26.422 7.495 1.00 4.04 C ATOM 6 CG MET A 637 -2.407 26.052 6.254 1.00 43.01 C ATOM 7 SD MET A 637 -2.763 27.131 4.853 1.00 52.20 S ATOM 8 CE MET A 637 -1.906 28.623 5.349 1.00 72.44 C ATOM 0 HA MET A 637 -2.293 24.955 8.775 1.00 5.12 H new ATOM 0 HB2 MET A 637 -4.181 25.944 7.445 1.00 4.04 H new ATOM 0 HB3 MET A 637 -3.374 27.498 7.499 1.00 4.04 H new ATOM 0 HG2 MET A 637 -1.342 26.099 6.483 1.00 43.01 H new ATOM 0 HG3 MET A 637 -2.629 25.021 5.979 1.00 43.01 H new ATOM 0 HE1 MET A 637 -1.755 29.262 4.479 1.00 72.44 H new ATOM 0 HE2 MET A 637 -2.501 29.155 6.091 1.00 72.44 H new ATOM 0 HE3 MET A 637 -0.939 28.361 5.779 1.00 72.44 H new ATOM 18 N GLY A 638 -0.101 26.055 9.008 1.00 52.15 N ATOM 19 CA GLY A 638 1.198 26.683 9.156 1.00 21.30 C ATOM 20 C GLY A 638 2.252 26.054 8.265 1.00 2.44 C ATOM 21 O GLY A 638 1.968 25.679 7.127 1.00 23.34 O ATOM 0 H GLY A 638 -0.080 25.037 8.946 1.00 52.15 H new ATOM 0 HA2 GLY A 638 1.114 27.744 8.921 1.00 21.30 H new ATOM 0 HA3 GLY A 638 1.516 26.611 10.196 1.00 21.30 H new ATOM 25 N ARG A 639 3.470 25.940 8.782 1.00 21.55 N ATOM 26 CA ARG A 639 4.570 25.356 8.024 1.00 32.22 C ATOM 27 C ARG A 639 5.102 24.104 8.715 1.00 3.11 C ATOM 28 O ARG A 639 5.671 23.221 8.073 1.00 64.43 O ATOM 29 CB ARG A 639 5.698 26.375 7.852 1.00 12.20 C ATOM 30 CG ARG A 639 6.664 26.417 9.026 1.00 70.32 C ATOM 31 CD ARG A 639 7.272 27.801 9.197 1.00 40.40 C ATOM 32 NE ARG A 639 8.668 27.736 9.622 1.00 5.35 N ATOM 33 CZ ARG A 639 9.456 28.801 9.717 1.00 64.42 C ATOM 34 NH1 ARG A 639 8.989 30.005 9.417 1.00 35.11 N ATOM 35 NH2 ARG A 639 10.716 28.662 10.110 1.00 10.34 N ATOM 0 H ARG A 639 3.721 26.244 9.723 1.00 21.55 H new ATOM 0 HA ARG A 639 4.191 25.075 7.041 1.00 32.22 H new ATOM 0 HB2 ARG A 639 6.253 26.140 6.944 1.00 12.20 H new ATOM 0 HB3 ARG A 639 5.264 27.365 7.714 1.00 12.20 H new ATOM 0 HG2 ARG A 639 6.141 26.132 9.939 1.00 70.32 H new ATOM 0 HG3 ARG A 639 7.458 25.686 8.872 1.00 70.32 H new ATOM 0 HD2 ARG A 639 7.205 28.346 8.255 1.00 40.40 H new ATOM 0 HD3 ARG A 639 6.695 28.362 9.932 1.00 40.40 H new ATOM 0 HE ARG A 639 9.059 26.824 9.858 1.00 5.35 H new ATOM 0 HH11 ARG A 639 8.022 30.116 9.112 1.00 35.11 H new ATOM 0 HH12 ARG A 639 9.597 30.821 9.491 1.00 35.11 H new ATOM 0 HH21 ARG A 639 11.080 27.737 10.339 1.00 10.34 H new ATOM 0 HH22 ARG A 639 11.321 29.480 10.183 1.00 10.34 H new ATOM 49 N THR A 640 4.913 24.034 10.029 1.00 4.22 N ATOM 50 CA THR A 640 5.374 22.891 10.808 1.00 12.14 C ATOM 51 C THR A 640 4.470 21.683 10.599 1.00 54.24 C ATOM 52 O THR A 640 4.926 20.539 10.637 1.00 13.04 O ATOM 53 CB THR A 640 5.432 23.223 12.311 1.00 2.14 C ATOM 54 OG1 THR A 640 6.261 24.369 12.529 1.00 34.20 O ATOM 55 CG2 THR A 640 5.969 22.042 13.105 1.00 32.13 C ATOM 0 H THR A 640 4.444 24.756 10.576 1.00 4.22 H new ATOM 0 HA THR A 640 6.378 22.653 10.458 1.00 12.14 H new ATOM 0 HB THR A 640 4.420 23.439 12.652 1.00 2.14 H new ATOM 0 HG1 THR A 640 6.291 24.574 13.487 1.00 34.20 H new ATOM 0 HG21 THR A 640 6.001 22.300 14.164 1.00 32.13 H new ATOM 0 HG22 THR A 640 5.317 21.180 12.961 1.00 32.13 H new ATOM 0 HG23 THR A 640 6.974 21.799 12.760 1.00 32.13 H new ATOM 63 N HIS A 641 3.184 21.942 10.379 1.00 73.04 N ATOM 64 CA HIS A 641 2.216 20.873 10.163 1.00 44.51 C ATOM 65 C HIS A 641 2.564 20.067 8.915 1.00 34.41 C ATOM 66 O HIS A 641 2.049 18.967 8.709 1.00 34.44 O ATOM 67 CB HIS A 641 0.806 21.451 10.034 1.00 33.44 C ATOM 68 CG HIS A 641 0.536 22.076 8.700 1.00 3.24 C ATOM 69 ND1 HIS A 641 1.193 23.051 8.028 1.00 3.44 N flip ATOM 70 CD2 HIS A 641 -0.523 21.707 7.898 1.00 14.53 C flip ATOM 71 CE1 HIS A 641 0.526 23.249 6.844 1.00 53.55 C flip ATOM 72 NE2 HIS A 641 -0.506 22.427 6.789 1.00 34.34 N flip ATOM 0 H HIS A 641 2.789 22.882 10.346 1.00 73.04 H new ATOM 0 HA HIS A 641 2.250 20.207 11.025 1.00 44.51 H new ATOM 0 HB2 HIS A 641 0.079 20.657 10.208 1.00 33.44 H new ATOM 0 HB3 HIS A 641 0.655 22.198 10.813 1.00 33.44 H new ATOM 0 HD2 HIS A 641 -1.253 20.948 8.138 1.00 14.53 H new ATOM 0 HE1 HIS A 641 0.801 23.962 6.081 1.00 53.55 H new ATOM 0 HE2 HIS A 641 -1.175 22.359 6.022 1.00 34.34 H new ATOM 80 N LEU A 642 3.440 20.623 8.084 1.00 42.44 N ATOM 81 CA LEU A 642 3.856 19.956 6.855 1.00 51.11 C ATOM 82 C LEU A 642 4.735 18.747 7.162 1.00 2.52 C ATOM 83 O LEU A 642 4.713 17.751 6.438 1.00 55.14 O ATOM 84 CB LEU A 642 4.613 20.934 5.953 1.00 43.41 C ATOM 85 CG LEU A 642 3.750 21.891 5.130 1.00 34.14 C ATOM 86 CD1 LEU A 642 4.539 23.138 4.762 1.00 61.30 C ATOM 87 CD2 LEU A 642 3.229 21.199 3.880 1.00 42.12 C ATOM 0 H LEU A 642 3.875 21.532 8.239 1.00 42.44 H new ATOM 0 HA LEU A 642 2.961 19.610 6.337 1.00 51.11 H new ATOM 0 HB2 LEU A 642 5.285 21.526 6.575 1.00 43.41 H new ATOM 0 HB3 LEU A 642 5.236 20.358 5.269 1.00 43.41 H new ATOM 0 HG LEU A 642 2.896 22.192 5.736 1.00 34.14 H new ATOM 0 HD11 LEU A 642 3.909 23.808 4.176 1.00 61.30 H new ATOM 0 HD12 LEU A 642 4.862 23.646 5.671 1.00 61.30 H new ATOM 0 HD13 LEU A 642 5.413 22.856 4.174 1.00 61.30 H new ATOM 0 HD21 LEU A 642 2.617 21.895 3.307 1.00 42.12 H new ATOM 0 HD22 LEU A 642 4.070 20.868 3.270 1.00 42.12 H new ATOM 0 HD23 LEU A 642 2.626 20.337 4.166 1.00 42.12 H new ATOM 99 N THR A 643 5.504 18.840 8.242 1.00 3.11 N ATOM 100 CA THR A 643 6.389 17.754 8.645 1.00 41.53 C ATOM 101 C THR A 643 5.600 16.481 8.932 1.00 52.23 C ATOM 102 O THR A 643 5.885 15.423 8.371 1.00 30.33 O ATOM 103 CB THR A 643 7.206 18.130 9.896 1.00 24.31 C ATOM 104 OG1 THR A 643 7.612 19.501 9.821 1.00 42.34 O ATOM 105 CG2 THR A 643 8.432 17.239 10.029 1.00 3.20 C ATOM 0 H THR A 643 5.532 19.656 8.853 1.00 3.11 H new ATOM 0 HA THR A 643 7.072 17.577 7.814 1.00 41.53 H new ATOM 0 HB THR A 643 6.575 17.986 10.773 1.00 24.31 H new ATOM 0 HG1 THR A 643 6.901 20.073 10.179 1.00 42.34 H new ATOM 0 HG21 THR A 643 8.993 17.523 10.919 1.00 3.20 H new ATOM 0 HG22 THR A 643 8.118 16.199 10.114 1.00 3.20 H new ATOM 0 HG23 THR A 643 9.064 17.356 9.149 1.00 3.20 H new ATOM 113 N MET A 644 4.607 16.590 9.808 1.00 52.32 N ATOM 114 CA MET A 644 3.776 15.447 10.167 1.00 44.13 C ATOM 115 C MET A 644 2.991 14.944 8.959 1.00 73.13 C ATOM 116 O MET A 644 2.987 13.749 8.664 1.00 64.01 O ATOM 117 CB MET A 644 2.813 15.822 11.294 1.00 12.23 C ATOM 118 CG MET A 644 3.512 16.189 12.594 1.00 43.32 C ATOM 119 SD MET A 644 2.367 16.779 13.855 1.00 32.54 S ATOM 120 CE MET A 644 2.183 15.309 14.862 1.00 44.04 C ATOM 0 H MET A 644 4.358 17.458 10.282 1.00 52.32 H new ATOM 0 HA MET A 644 4.432 14.648 10.511 1.00 44.13 H new ATOM 0 HB2 MET A 644 2.199 16.663 10.971 1.00 12.23 H new ATOM 0 HB3 MET A 644 2.138 14.986 11.477 1.00 12.23 H new ATOM 0 HG2 MET A 644 4.047 15.318 12.973 1.00 43.32 H new ATOM 0 HG3 MET A 644 4.257 16.959 12.396 1.00 43.32 H new ATOM 0 HE1 MET A 644 1.501 15.516 15.687 1.00 44.04 H new ATOM 0 HE2 MET A 644 1.781 14.499 14.253 1.00 44.04 H new ATOM 0 HE3 MET A 644 3.155 15.016 15.259 1.00 44.04 H new ATOM 130 N ALA A 645 2.328 15.863 8.265 1.00 10.03 N ATOM 131 CA ALA A 645 1.542 15.514 7.089 1.00 61.35 C ATOM 132 C ALA A 645 2.406 14.832 6.033 1.00 75.12 C ATOM 133 O ALA A 645 1.987 13.859 5.405 1.00 13.41 O ATOM 134 CB ALA A 645 0.878 16.754 6.509 1.00 55.32 C ATOM 0 H ALA A 645 2.320 16.856 8.498 1.00 10.03 H new ATOM 0 HA ALA A 645 0.768 14.811 7.397 1.00 61.35 H new ATOM 0 HB1 ALA A 645 0.294 16.477 5.631 1.00 55.32 H new ATOM 0 HB2 ALA A 645 0.221 17.198 7.257 1.00 55.32 H new ATOM 0 HB3 ALA A 645 1.643 17.476 6.223 1.00 55.32 H new ATOM 140 N LEU A 646 3.615 15.350 5.842 1.00 73.25 N ATOM 141 CA LEU A 646 4.539 14.791 4.861 1.00 54.13 C ATOM 142 C LEU A 646 4.886 13.345 5.201 1.00 3.40 C ATOM 143 O LEU A 646 4.917 12.479 4.324 1.00 34.54 O ATOM 144 CB LEU A 646 5.816 15.631 4.798 1.00 23.32 C ATOM 145 CG LEU A 646 5.766 16.861 3.889 1.00 74.54 C ATOM 146 CD1 LEU A 646 6.742 17.922 4.373 1.00 51.12 C ATOM 147 CD2 LEU A 646 6.069 16.472 2.450 1.00 64.45 C ATOM 0 H LEU A 646 3.978 16.155 6.353 1.00 73.25 H new ATOM 0 HA LEU A 646 4.050 14.809 3.887 1.00 54.13 H new ATOM 0 HB2 LEU A 646 6.061 15.960 5.808 1.00 23.32 H new ATOM 0 HB3 LEU A 646 6.632 14.990 4.465 1.00 23.32 H new ATOM 0 HG LEU A 646 4.760 17.278 3.928 1.00 74.54 H new ATOM 0 HD11 LEU A 646 6.693 18.789 3.715 1.00 51.12 H new ATOM 0 HD12 LEU A 646 6.480 18.222 5.388 1.00 51.12 H new ATOM 0 HD13 LEU A 646 7.754 17.517 4.364 1.00 51.12 H new ATOM 0 HD21 LEU A 646 6.029 17.359 1.817 1.00 64.45 H new ATOM 0 HD22 LEU A 646 7.064 16.031 2.394 1.00 64.45 H new ATOM 0 HD23 LEU A 646 5.331 15.747 2.106 1.00 64.45 H new ATOM 159 N THR A 647 5.143 13.088 6.479 1.00 15.34 N ATOM 160 CA THR A 647 5.486 11.747 6.936 1.00 65.11 C ATOM 161 C THR A 647 4.358 10.762 6.646 1.00 63.10 C ATOM 162 O THR A 647 4.597 9.650 6.176 1.00 72.42 O ATOM 163 CB THR A 647 5.793 11.728 8.444 1.00 73.31 C ATOM 164 OG1 THR A 647 6.858 12.638 8.739 1.00 74.44 O ATOM 165 CG2 THR A 647 6.174 10.328 8.902 1.00 71.04 C ATOM 0 H THR A 647 5.120 13.792 7.217 1.00 15.34 H new ATOM 0 HA THR A 647 6.379 11.446 6.388 1.00 65.11 H new ATOM 0 HB THR A 647 4.894 12.036 8.979 1.00 73.31 H new ATOM 0 HG1 THR A 647 6.549 13.558 8.603 1.00 74.44 H new ATOM 0 HG21 THR A 647 6.386 10.340 9.971 1.00 71.04 H new ATOM 0 HG22 THR A 647 5.349 9.643 8.704 1.00 71.04 H new ATOM 0 HG23 THR A 647 7.060 9.996 8.360 1.00 71.04 H new ATOM 173 N VAL A 648 3.128 11.179 6.928 1.00 21.34 N ATOM 174 CA VAL A 648 1.962 10.335 6.695 1.00 54.34 C ATOM 175 C VAL A 648 1.845 9.952 5.224 1.00 22.43 C ATOM 176 O VAL A 648 1.696 8.778 4.888 1.00 63.04 O ATOM 177 CB VAL A 648 0.664 11.036 7.137 1.00 62.22 C ATOM 178 CG1 VAL A 648 -0.548 10.191 6.778 1.00 53.31 C ATOM 179 CG2 VAL A 648 0.698 11.329 8.629 1.00 52.21 C ATOM 0 H VAL A 648 2.913 12.097 7.318 1.00 21.34 H new ATOM 0 HA VAL A 648 2.100 9.433 7.292 1.00 54.34 H new ATOM 0 HB VAL A 648 0.585 11.985 6.606 1.00 62.22 H new ATOM 0 HG11 VAL A 648 -1.456 10.702 7.098 1.00 53.31 H new ATOM 0 HG12 VAL A 648 -0.579 10.038 5.699 1.00 53.31 H new ATOM 0 HG13 VAL A 648 -0.480 9.225 7.279 1.00 53.31 H new ATOM 0 HG21 VAL A 648 -0.227 11.824 8.924 1.00 52.21 H new ATOM 0 HG22 VAL A 648 0.801 10.395 9.181 1.00 52.21 H new ATOM 0 HG23 VAL A 648 1.544 11.978 8.853 1.00 52.21 H new ATOM 189 N ILE A 649 1.914 10.953 4.352 1.00 42.04 N ATOM 190 CA ILE A 649 1.817 10.721 2.915 1.00 53.02 C ATOM 191 C ILE A 649 2.885 9.740 2.444 1.00 71.32 C ATOM 192 O ILE A 649 2.588 8.768 1.751 1.00 54.15 O ATOM 193 CB ILE A 649 1.954 12.034 2.122 1.00 75.23 C ATOM 194 CG1 ILE A 649 0.819 12.995 2.483 1.00 54.24 C ATOM 195 CG2 ILE A 649 1.963 11.752 0.628 1.00 31.10 C ATOM 196 CD1 ILE A 649 0.898 14.321 1.761 1.00 61.22 C ATOM 0 H ILE A 649 2.036 11.931 4.615 1.00 42.04 H new ATOM 0 HA ILE A 649 0.830 10.297 2.729 1.00 53.02 H new ATOM 0 HB ILE A 649 2.900 12.505 2.388 1.00 75.23 H new ATOM 0 HG12 ILE A 649 -0.135 12.521 2.252 1.00 54.24 H new ATOM 0 HG13 ILE A 649 0.834 13.174 3.558 1.00 54.24 H new ATOM 0 HG21 ILE A 649 2.060 12.690 0.081 1.00 31.10 H new ATOM 0 HG22 ILE A 649 2.803 11.102 0.386 1.00 31.10 H new ATOM 0 HG23 ILE A 649 1.032 11.262 0.345 1.00 31.10 H new ATOM 0 HD11 ILE A 649 0.062 14.951 2.065 1.00 61.22 H new ATOM 0 HD12 ILE A 649 1.836 14.816 2.011 1.00 61.22 H new ATOM 0 HD13 ILE A 649 0.852 14.153 0.685 1.00 61.22 H new ATOM 208 N ALA A 650 4.131 10.003 2.826 1.00 63.15 N ATOM 209 CA ALA A 650 5.245 9.142 2.444 1.00 1.53 C ATOM 210 C ALA A 650 5.051 7.727 2.980 1.00 64.53 C ATOM 211 O ALA A 650 5.288 6.748 2.273 1.00 60.34 O ATOM 212 CB ALA A 650 6.557 9.724 2.947 1.00 50.13 C ATOM 0 H ALA A 650 4.394 10.805 3.399 1.00 63.15 H new ATOM 0 HA ALA A 650 5.277 9.090 1.356 1.00 1.53 H new ATOM 0 HB1 ALA A 650 7.380 9.072 2.655 1.00 50.13 H new ATOM 0 HB2 ALA A 650 6.706 10.713 2.513 1.00 50.13 H new ATOM 0 HB3 ALA A 650 6.526 9.805 4.034 1.00 50.13 H new ATOM 218 N GLY A 651 4.620 7.627 4.233 1.00 75.12 N ATOM 219 CA GLY A 651 4.404 6.327 4.841 1.00 51.10 C ATOM 220 C GLY A 651 3.467 5.455 4.029 1.00 4.31 C ATOM 221 O GLY A 651 3.784 4.305 3.725 1.00 42.24 O ATOM 0 H GLY A 651 4.416 8.422 4.838 1.00 75.12 H new ATOM 0 HA2 GLY A 651 5.362 5.819 4.954 1.00 51.10 H new ATOM 0 HA3 GLY A 651 3.994 6.461 5.842 1.00 51.10 H new ATOM 225 N LEU A 652 2.308 6.003 3.677 1.00 73.24 N ATOM 226 CA LEU A 652 1.321 5.266 2.895 1.00 33.54 C ATOM 227 C LEU A 652 1.899 4.841 1.549 1.00 41.21 C ATOM 228 O LEU A 652 1.823 3.672 1.171 1.00 42.55 O ATOM 229 CB LEU A 652 0.072 6.123 2.679 1.00 43.15 C ATOM 230 CG LEU A 652 -0.664 6.567 3.943 1.00 14.20 C ATOM 231 CD1 LEU A 652 -1.769 7.554 3.598 1.00 54.13 C ATOM 232 CD2 LEU A 652 -1.233 5.364 4.680 1.00 52.43 C ATOM 0 H LEU A 652 2.029 6.954 3.920 1.00 73.24 H new ATOM 0 HA LEU A 652 1.048 4.369 3.451 1.00 33.54 H new ATOM 0 HB2 LEU A 652 0.359 7.013 2.118 1.00 43.15 H new ATOM 0 HB3 LEU A 652 -0.625 5.563 2.055 1.00 43.15 H new ATOM 0 HG LEU A 652 0.049 7.066 4.599 1.00 14.20 H new ATOM 0 HD11 LEU A 652 -2.282 7.859 4.510 1.00 54.13 H new ATOM 0 HD12 LEU A 652 -1.337 8.430 3.115 1.00 54.13 H new ATOM 0 HD13 LEU A 652 -2.481 7.081 2.922 1.00 54.13 H new ATOM 0 HD21 LEU A 652 -1.753 5.700 5.577 1.00 52.43 H new ATOM 0 HD22 LEU A 652 -1.932 4.837 4.031 1.00 52.43 H new ATOM 0 HD23 LEU A 652 -0.422 4.692 4.961 1.00 52.43 H new ATOM 244 N VAL A 653 2.478 5.797 0.831 1.00 71.33 N ATOM 245 CA VAL A 653 3.073 5.520 -0.472 1.00 22.21 C ATOM 246 C VAL A 653 4.065 4.366 -0.390 1.00 74.22 C ATOM 247 O VAL A 653 3.983 3.406 -1.157 1.00 14.24 O ATOM 248 CB VAL A 653 3.791 6.761 -1.036 1.00 41.02 C ATOM 249 CG1 VAL A 653 4.619 6.389 -2.256 1.00 12.32 C ATOM 250 CG2 VAL A 653 2.784 7.850 -1.376 1.00 73.24 C ATOM 0 H VAL A 653 2.548 6.770 1.129 1.00 71.33 H new ATOM 0 HA VAL A 653 2.257 5.246 -1.140 1.00 22.21 H new ATOM 0 HB VAL A 653 4.466 7.148 -0.273 1.00 41.02 H new ATOM 0 HG11 VAL A 653 5.119 7.278 -2.641 1.00 12.32 H new ATOM 0 HG12 VAL A 653 5.365 5.645 -1.976 1.00 12.32 H new ATOM 0 HG13 VAL A 653 3.967 5.977 -3.026 1.00 12.32 H new ATOM 0 HG21 VAL A 653 3.308 8.719 -1.773 1.00 73.24 H new ATOM 0 HG22 VAL A 653 2.083 7.477 -2.122 1.00 73.24 H new ATOM 0 HG23 VAL A 653 2.239 8.135 -0.476 1.00 73.24 H new ATOM 260 N VAL A 654 5.003 4.465 0.548 1.00 63.44 N ATOM 261 CA VAL A 654 6.012 3.428 0.731 1.00 34.45 C ATOM 262 C VAL A 654 5.365 2.068 0.965 1.00 10.32 C ATOM 263 O VAL A 654 5.871 1.042 0.509 1.00 23.14 O ATOM 264 CB VAL A 654 6.940 3.753 1.917 1.00 51.13 C ATOM 265 CG1 VAL A 654 7.962 2.644 2.115 1.00 53.30 C ATOM 266 CG2 VAL A 654 7.630 5.092 1.701 1.00 73.02 C ATOM 0 H VAL A 654 5.085 5.252 1.192 1.00 63.44 H new ATOM 0 HA VAL A 654 6.602 3.394 -0.185 1.00 34.45 H new ATOM 0 HB VAL A 654 6.335 3.823 2.821 1.00 51.13 H new ATOM 0 HG11 VAL A 654 8.609 2.891 2.957 1.00 53.30 H new ATOM 0 HG12 VAL A 654 7.446 1.705 2.317 1.00 53.30 H new ATOM 0 HG13 VAL A 654 8.565 2.540 1.213 1.00 53.30 H new ATOM 0 HG21 VAL A 654 8.282 5.306 2.548 1.00 73.02 H new ATOM 0 HG22 VAL A 654 8.223 5.052 0.787 1.00 73.02 H new ATOM 0 HG23 VAL A 654 6.880 5.878 1.613 1.00 73.02 H new ATOM 276 N ILE A 655 4.243 2.067 1.678 1.00 64.13 N ATOM 277 CA ILE A 655 3.525 0.832 1.970 1.00 62.44 C ATOM 278 C ILE A 655 2.938 0.224 0.701 1.00 70.22 C ATOM 279 O ILE A 655 3.161 -0.949 0.401 1.00 43.22 O ATOM 280 CB ILE A 655 2.393 1.067 2.987 1.00 45.25 C ATOM 281 CG1 ILE A 655 2.971 1.480 4.341 1.00 13.01 C ATOM 282 CG2 ILE A 655 1.540 -0.186 3.127 1.00 33.24 C ATOM 283 CD1 ILE A 655 2.018 2.302 5.179 1.00 14.54 C ATOM 0 H ILE A 655 3.812 2.907 2.064 1.00 64.13 H new ATOM 0 HA ILE A 655 4.249 0.139 2.399 1.00 62.44 H new ATOM 0 HB ILE A 655 1.759 1.876 2.624 1.00 45.25 H new ATOM 0 HG12 ILE A 655 3.250 0.584 4.896 1.00 13.01 H new ATOM 0 HG13 ILE A 655 3.884 2.052 4.178 1.00 13.01 H new ATOM 0 HG21 ILE A 655 0.744 -0.005 3.849 1.00 33.24 H new ATOM 0 HG22 ILE A 655 1.103 -0.439 2.161 1.00 33.24 H new ATOM 0 HG23 ILE A 655 2.161 -1.013 3.471 1.00 33.24 H new ATOM 0 HD11 ILE A 655 2.494 2.559 6.125 1.00 14.54 H new ATOM 0 HD12 ILE A 655 1.758 3.215 4.644 1.00 14.54 H new ATOM 0 HD13 ILE A 655 1.114 1.725 5.373 1.00 14.54 H new ATOM 295 N PHE A 656 2.188 1.031 -0.042 1.00 44.41 N ATOM 296 CA PHE A 656 1.568 0.572 -1.280 1.00 11.12 C ATOM 297 C PHE A 656 2.622 0.083 -2.267 1.00 43.13 C ATOM 298 O PHE A 656 2.432 -0.925 -2.947 1.00 55.43 O ATOM 299 CB PHE A 656 0.746 1.698 -1.910 1.00 23.02 C ATOM 300 CG PHE A 656 0.326 1.415 -3.324 1.00 51.42 C ATOM 301 CD1 PHE A 656 -0.092 0.146 -3.695 1.00 21.11 C ATOM 302 CD2 PHE A 656 0.347 2.415 -4.282 1.00 23.41 C ATOM 303 CE1 PHE A 656 -0.479 -0.118 -4.996 1.00 61.33 C ATOM 304 CE2 PHE A 656 -0.038 2.157 -5.584 1.00 51.11 C ATOM 305 CZ PHE A 656 -0.453 0.889 -5.941 1.00 11.21 C ATOM 0 H PHE A 656 1.995 2.005 0.191 1.00 44.41 H new ATOM 0 HA PHE A 656 0.907 -0.261 -1.040 1.00 11.12 H new ATOM 0 HB2 PHE A 656 -0.143 1.871 -1.303 1.00 23.02 H new ATOM 0 HB3 PHE A 656 1.330 2.618 -1.890 1.00 23.02 H new ATOM 0 HD1 PHE A 656 -0.116 -0.645 -2.960 1.00 21.11 H new ATOM 0 HD2 PHE A 656 0.668 3.409 -4.008 1.00 23.41 H new ATOM 0 HE1 PHE A 656 -0.801 -1.111 -5.273 1.00 61.33 H new ATOM 0 HE2 PHE A 656 -0.014 2.946 -6.321 1.00 51.11 H new ATOM 0 HZ PHE A 656 -0.757 0.685 -6.957 1.00 11.21 H new ATOM 315 N MET A 657 3.735 0.805 -2.342 1.00 72.10 N ATOM 316 CA MET A 657 4.821 0.445 -3.246 1.00 62.21 C ATOM 317 C MET A 657 5.540 -0.809 -2.759 1.00 41.10 C ATOM 318 O MET A 657 5.668 -1.788 -3.495 1.00 20.32 O ATOM 319 CB MET A 657 5.816 1.601 -3.370 1.00 40.30 C ATOM 320 CG MET A 657 5.241 2.825 -4.065 1.00 2.41 C ATOM 321 SD MET A 657 6.504 3.814 -4.888 1.00 33.00 S ATOM 322 CE MET A 657 7.291 4.597 -3.481 1.00 42.42 C ATOM 0 H MET A 657 3.909 1.643 -1.787 1.00 72.10 H new ATOM 0 HA MET A 657 4.391 0.239 -4.226 1.00 62.21 H new ATOM 0 HB2 MET A 657 6.157 1.885 -2.374 1.00 40.30 H new ATOM 0 HB3 MET A 657 6.692 1.258 -3.921 1.00 40.30 H new ATOM 0 HG2 MET A 657 4.499 2.507 -4.798 1.00 2.41 H new ATOM 0 HG3 MET A 657 4.721 3.443 -3.333 1.00 2.41 H new ATOM 0 HE1 MET A 657 7.067 5.664 -3.486 1.00 42.42 H new ATOM 0 HE2 MET A 657 6.916 4.151 -2.560 1.00 42.42 H new ATOM 0 HE3 MET A 657 8.370 4.453 -3.541 1.00 42.42 H new ATOM 332 N MET A 658 6.008 -0.773 -1.515 1.00 40.20 N ATOM 333 CA MET A 658 6.713 -1.908 -0.931 1.00 3.52 C ATOM 334 C MET A 658 5.843 -3.160 -0.956 1.00 2.44 C ATOM 335 O MET A 658 6.259 -4.208 -1.451 1.00 62.41 O ATOM 336 CB MET A 658 7.130 -1.591 0.506 1.00 33.04 C ATOM 337 CG MET A 658 8.340 -0.676 0.600 1.00 12.41 C ATOM 338 SD MET A 658 9.106 -0.703 2.232 1.00 61.23 S ATOM 339 CE MET A 658 7.660 -0.635 3.287 1.00 60.42 C ATOM 0 H MET A 658 5.912 0.029 -0.893 1.00 40.20 H new ATOM 0 HA MET A 658 7.605 -2.096 -1.528 1.00 3.52 H new ATOM 0 HB2 MET A 658 6.292 -1.126 1.025 1.00 33.04 H new ATOM 0 HB3 MET A 658 7.349 -2.524 1.026 1.00 33.04 H new ATOM 0 HG2 MET A 658 9.075 -0.975 -0.147 1.00 12.41 H new ATOM 0 HG3 MET A 658 8.039 0.344 0.361 1.00 12.41 H new ATOM 0 HE1 MET A 658 7.903 -0.097 4.203 1.00 60.42 H new ATOM 0 HE2 MET A 658 6.853 -0.119 2.766 1.00 60.42 H new ATOM 0 HE3 MET A 658 7.342 -1.648 3.535 1.00 60.42 H new ATOM 349 N LEU A 659 4.633 -3.045 -0.419 1.00 2.33 N ATOM 350 CA LEU A 659 3.704 -4.169 -0.379 1.00 45.32 C ATOM 351 C LEU A 659 3.479 -4.740 -1.776 1.00 64.20 C ATOM 352 O LEU A 659 3.565 -5.949 -1.985 1.00 70.45 O ATOM 353 CB LEU A 659 2.369 -3.731 0.225 1.00 4.44 C ATOM 354 CG LEU A 659 2.369 -3.460 1.730 1.00 75.45 C ATOM 355 CD1 LEU A 659 0.958 -3.183 2.224 1.00 75.24 C ATOM 356 CD2 LEU A 659 2.980 -4.633 2.483 1.00 1.22 C ATOM 0 H LEU A 659 4.273 -2.185 -0.005 1.00 2.33 H new ATOM 0 HA LEU A 659 4.141 -4.948 0.246 1.00 45.32 H new ATOM 0 HB2 LEU A 659 2.041 -2.826 -0.287 1.00 4.44 H new ATOM 0 HB3 LEU A 659 1.628 -4.502 0.015 1.00 4.44 H new ATOM 0 HG LEU A 659 2.977 -2.576 1.920 1.00 75.45 H new ATOM 0 HD11 LEU A 659 0.979 -2.993 3.297 1.00 75.24 H new ATOM 0 HD12 LEU A 659 0.557 -2.311 1.708 1.00 75.24 H new ATOM 0 HD13 LEU A 659 0.325 -4.047 2.021 1.00 75.24 H new ATOM 0 HD21 LEU A 659 2.972 -4.423 3.553 1.00 1.22 H new ATOM 0 HD22 LEU A 659 2.399 -5.534 2.286 1.00 1.22 H new ATOM 0 HD23 LEU A 659 4.007 -4.783 2.151 1.00 1.22 H new ATOM 368 N GLY A 660 3.193 -3.860 -2.731 1.00 21.45 N ATOM 369 CA GLY A 660 2.963 -4.294 -4.096 1.00 14.21 C ATOM 370 C GLY A 660 4.171 -4.985 -4.695 1.00 62.42 C ATOM 371 O GLY A 660 4.067 -6.095 -5.214 1.00 10.41 O ATOM 0 H GLY A 660 3.117 -2.854 -2.583 1.00 21.45 H new ATOM 0 HA2 GLY A 660 2.111 -4.973 -4.119 1.00 14.21 H new ATOM 0 HA3 GLY A 660 2.700 -3.432 -4.709 1.00 14.21 H new ATOM 375 N GLY A 661 5.323 -4.324 -4.627 1.00 62.44 N ATOM 376 CA GLY A 661 6.540 -4.897 -5.173 1.00 33.02 C ATOM 377 C GLY A 661 6.992 -6.130 -4.416 1.00 1.22 C ATOM 378 O GLY A 661 7.581 -7.043 -4.995 1.00 61.22 O ATOM 0 H GLY A 661 5.435 -3.403 -4.204 1.00 62.44 H new ATOM 0 HA2 GLY A 661 6.378 -5.156 -6.219 1.00 33.02 H new ATOM 0 HA3 GLY A 661 7.332 -4.149 -5.149 1.00 33.02 H new ATOM 382 N THR A 662 6.717 -6.157 -3.116 1.00 41.35 N ATOM 383 CA THR A 662 7.101 -7.286 -2.277 1.00 1.12 C ATOM 384 C THR A 662 6.218 -8.499 -2.550 1.00 14.33 C ATOM 385 O THR A 662 6.714 -9.595 -2.810 1.00 73.23 O ATOM 386 CB THR A 662 7.017 -6.929 -0.781 1.00 0.31 C ATOM 387 OG1 THR A 662 7.996 -5.935 -0.459 1.00 11.22 O ATOM 388 CG2 THR A 662 7.235 -8.162 0.083 1.00 44.10 C ATOM 0 H THR A 662 6.230 -5.410 -2.621 1.00 41.35 H new ATOM 0 HA THR A 662 8.134 -7.529 -2.527 1.00 1.12 H new ATOM 0 HB THR A 662 6.021 -6.536 -0.579 1.00 0.31 H new ATOM 0 HG1 THR A 662 7.669 -5.053 -0.733 1.00 11.22 H new ATOM 0 HG21 THR A 662 7.171 -7.885 1.135 1.00 44.10 H new ATOM 0 HG22 THR A 662 6.470 -8.905 -0.144 1.00 44.10 H new ATOM 0 HG23 THR A 662 8.220 -8.581 -0.123 1.00 44.10 H new ATOM 396 N PHE A 663 4.906 -8.295 -2.488 1.00 51.30 N ATOM 397 CA PHE A 663 3.953 -9.373 -2.727 1.00 71.51 C ATOM 398 C PHE A 663 4.199 -10.024 -4.085 1.00 22.05 C ATOM 399 O PHE A 663 4.382 -11.238 -4.181 1.00 43.42 O ATOM 400 CB PHE A 663 2.521 -8.841 -2.655 1.00 33.05 C ATOM 401 CG PHE A 663 1.536 -9.841 -2.119 1.00 13.21 C ATOM 402 CD1 PHE A 663 1.435 -11.103 -2.682 1.00 72.41 C ATOM 403 CD2 PHE A 663 0.712 -9.519 -1.053 1.00 2.31 C ATOM 404 CE1 PHE A 663 0.529 -12.025 -2.192 1.00 35.01 C ATOM 405 CE2 PHE A 663 -0.196 -10.436 -0.558 1.00 55.15 C ATOM 406 CZ PHE A 663 -0.286 -11.691 -1.128 1.00 15.44 C ATOM 0 H PHE A 663 4.479 -7.394 -2.274 1.00 51.30 H new ATOM 0 HA PHE A 663 4.092 -10.127 -1.952 1.00 71.51 H new ATOM 0 HB2 PHE A 663 2.503 -7.952 -2.025 1.00 33.05 H new ATOM 0 HB3 PHE A 663 2.206 -8.531 -3.652 1.00 33.05 H new ATOM 0 HD1 PHE A 663 2.071 -11.369 -3.513 1.00 72.41 H new ATOM 0 HD2 PHE A 663 0.780 -8.539 -0.603 1.00 2.31 H new ATOM 0 HE1 PHE A 663 0.459 -13.005 -2.640 1.00 35.01 H new ATOM 0 HE2 PHE A 663 -0.834 -10.172 0.273 1.00 55.15 H new ATOM 0 HZ PHE A 663 -0.993 -12.410 -0.742 1.00 15.44 H new ATOM 416 N LEU A 664 4.199 -9.208 -5.133 1.00 44.01 N ATOM 417 CA LEU A 664 4.421 -9.703 -6.488 1.00 3.35 C ATOM 418 C LEU A 664 5.761 -10.422 -6.592 1.00 30.52 C ATOM 419 O LEU A 664 5.841 -11.536 -7.110 1.00 73.20 O ATOM 420 CB LEU A 664 4.369 -8.547 -7.489 1.00 74.24 C ATOM 421 CG LEU A 664 3.023 -7.836 -7.625 1.00 20.22 C ATOM 422 CD1 LEU A 664 3.009 -6.951 -8.862 1.00 43.21 C ATOM 423 CD2 LEU A 664 1.888 -8.848 -7.678 1.00 55.03 C ATOM 0 H LEU A 664 4.048 -8.201 -5.071 1.00 44.01 H new ATOM 0 HA LEU A 664 3.629 -10.415 -6.723 1.00 3.35 H new ATOM 0 HB2 LEU A 664 5.119 -7.810 -7.201 1.00 74.24 H new ATOM 0 HB3 LEU A 664 4.656 -8.928 -8.469 1.00 74.24 H new ATOM 0 HG LEU A 664 2.878 -7.203 -6.749 1.00 20.22 H new ATOM 0 HD11 LEU A 664 2.043 -6.453 -8.942 1.00 43.21 H new ATOM 0 HD12 LEU A 664 3.797 -6.203 -8.783 1.00 43.21 H new ATOM 0 HD13 LEU A 664 3.177 -7.562 -9.749 1.00 43.21 H new ATOM 0 HD21 LEU A 664 0.937 -8.324 -7.775 1.00 55.03 H new ATOM 0 HD22 LEU A 664 2.028 -9.507 -8.535 1.00 55.03 H new ATOM 0 HD23 LEU A 664 1.885 -9.439 -6.762 1.00 55.03 H new ATOM 435 N TYR A 665 6.812 -9.779 -6.095 1.00 12.32 N ATOM 436 CA TYR A 665 8.151 -10.357 -6.132 1.00 3.44 C ATOM 437 C TYR A 665 8.184 -11.699 -5.408 1.00 74.05 C ATOM 438 O TYR A 665 8.711 -12.684 -5.926 1.00 21.42 O ATOM 439 CB TYR A 665 9.160 -9.399 -5.500 1.00 25.41 C ATOM 440 CG TYR A 665 10.476 -10.053 -5.144 1.00 41.42 C ATOM 441 CD1 TYR A 665 10.668 -10.640 -3.900 1.00 73.33 C ATOM 442 CD2 TYR A 665 11.528 -10.085 -6.052 1.00 4.05 C ATOM 443 CE1 TYR A 665 11.869 -11.238 -3.570 1.00 42.42 C ATOM 444 CE2 TYR A 665 12.731 -10.682 -5.731 1.00 45.44 C ATOM 445 CZ TYR A 665 12.897 -11.258 -4.490 1.00 13.33 C ATOM 446 OH TYR A 665 14.094 -11.854 -4.166 1.00 21.51 O ATOM 0 H TYR A 665 6.763 -8.857 -5.662 1.00 12.32 H new ATOM 0 HA TYR A 665 8.420 -10.521 -7.175 1.00 3.44 H new ATOM 0 HB2 TYR A 665 9.348 -8.576 -6.190 1.00 25.41 H new ATOM 0 HB3 TYR A 665 8.723 -8.967 -4.600 1.00 25.41 H new ATOM 0 HD1 TYR A 665 9.865 -10.629 -3.178 1.00 73.33 H new ATOM 0 HD2 TYR A 665 11.402 -9.635 -7.026 1.00 4.05 H new ATOM 0 HE1 TYR A 665 12.002 -11.687 -2.597 1.00 42.42 H new ATOM 0 HE2 TYR A 665 13.538 -10.697 -6.449 1.00 45.44 H new ATOM 0 HH TYR A 665 14.711 -11.783 -4.924 1.00 21.51 H new ATOM 456 N TRP A 666 7.617 -11.730 -4.208 1.00 54.32 N ATOM 457 CA TRP A 666 7.581 -12.952 -3.411 1.00 35.14 C ATOM 458 C TRP A 666 6.865 -14.070 -4.161 1.00 71.22 C ATOM 459 O TRP A 666 7.395 -15.172 -4.304 1.00 35.02 O ATOM 460 CB TRP A 666 6.886 -12.692 -2.073 1.00 62.12 C ATOM 461 CG TRP A 666 7.476 -13.471 -0.937 1.00 53.32 C ATOM 462 CD1 TRP A 666 8.542 -13.113 -0.164 1.00 31.33 C ATOM 463 CD2 TRP A 666 7.032 -14.742 -0.448 1.00 74.32 C ATOM 464 NE1 TRP A 666 8.789 -14.084 0.777 1.00 62.21 N ATOM 465 CE2 TRP A 666 7.876 -15.094 0.624 1.00 30.44 C ATOM 466 CE3 TRP A 666 6.004 -15.616 -0.809 1.00 23.03 C ATOM 467 CZ2 TRP A 666 7.721 -16.281 1.334 1.00 51.14 C ATOM 468 CZ3 TRP A 666 5.851 -16.794 -0.104 1.00 60.04 C ATOM 469 CH2 TRP A 666 6.706 -17.118 0.958 1.00 12.55 C ATOM 0 H TRP A 666 7.176 -10.924 -3.765 1.00 54.32 H new ATOM 0 HA TRP A 666 8.608 -13.265 -3.224 1.00 35.14 H new ATOM 0 HB2 TRP A 666 6.943 -11.628 -1.843 1.00 62.12 H new ATOM 0 HB3 TRP A 666 5.829 -12.942 -2.166 1.00 62.12 H new ATOM 0 HD1 TRP A 666 9.109 -12.200 -0.275 1.00 31.33 H new ATOM 0 HE1 TRP A 666 9.532 -14.057 1.476 1.00 62.21 H new ATOM 0 HE3 TRP A 666 5.340 -15.375 -1.626 1.00 23.03 H new ATOM 0 HZ2 TRP A 666 8.379 -16.533 2.153 1.00 51.14 H new ATOM 0 HZ3 TRP A 666 5.059 -17.477 -0.376 1.00 60.04 H new ATOM 0 HH2 TRP A 666 6.561 -18.047 1.490 1.00 12.55 H new ATOM 480 N ARG A 667 5.660 -13.779 -4.640 1.00 14.14 N ATOM 481 CA ARG A 667 4.872 -14.761 -5.373 1.00 64.34 C ATOM 482 C ARG A 667 5.657 -15.309 -6.562 1.00 73.10 C ATOM 483 O ARG A 667 5.481 -16.461 -6.958 1.00 24.13 O ATOM 484 CB ARG A 667 3.562 -14.137 -5.859 1.00 74.35 C ATOM 485 CG ARG A 667 2.413 -14.293 -4.877 1.00 74.30 C ATOM 486 CD ARG A 667 1.127 -13.696 -5.425 1.00 11.03 C ATOM 487 NE ARG A 667 0.707 -14.347 -6.664 1.00 15.44 N ATOM 488 CZ ARG A 667 -0.539 -14.314 -7.124 1.00 51.04 C ATOM 489 NH1 ARG A 667 -1.481 -13.665 -6.453 1.00 52.44 N ATOM 490 NH2 ARG A 667 -0.844 -14.931 -8.259 1.00 12.13 N ATOM 0 H ARG A 667 5.208 -12.871 -4.533 1.00 14.14 H new ATOM 0 HA ARG A 667 4.645 -15.585 -4.697 1.00 64.34 H new ATOM 0 HB2 ARG A 667 3.724 -13.076 -6.051 1.00 74.35 H new ATOM 0 HB3 ARG A 667 3.282 -14.593 -6.808 1.00 74.35 H new ATOM 0 HG2 ARG A 667 2.261 -15.350 -4.659 1.00 74.30 H new ATOM 0 HG3 ARG A 667 2.669 -13.807 -3.936 1.00 74.30 H new ATOM 0 HD2 ARG A 667 0.337 -13.790 -4.680 1.00 11.03 H new ATOM 0 HD3 ARG A 667 1.270 -12.631 -5.605 1.00 11.03 H new ATOM 0 HE ARG A 667 1.408 -14.854 -7.205 1.00 15.44 H new ATOM 0 HH11 ARG A 667 -1.250 -13.189 -5.581 1.00 52.44 H new ATOM 0 HH12 ARG A 667 -2.437 -13.642 -6.809 1.00 52.44 H new ATOM 0 HH21 ARG A 667 -0.122 -15.430 -8.778 1.00 12.13 H new ATOM 0 HH22 ARG A 667 -1.801 -14.906 -8.612 1.00 12.13 H new ATOM 504 N GLY A 668 6.526 -14.476 -7.126 1.00 25.42 N ATOM 505 CA GLY A 668 7.324 -14.894 -8.264 1.00 32.22 C ATOM 506 C GLY A 668 8.534 -15.710 -7.854 1.00 72.40 C ATOM 507 O GLY A 668 8.715 -16.837 -8.315 1.00 74.13 O ATOM 0 H GLY A 668 6.692 -13.519 -6.815 1.00 25.42 H new ATOM 0 HA2 GLY A 668 6.705 -15.482 -8.941 1.00 32.22 H new ATOM 0 HA3 GLY A 668 7.653 -14.014 -8.816 1.00 32.22 H new ATOM 511 N ARG A 669 9.365 -15.140 -6.987 1.00 61.11 N ATOM 512 CA ARG A 669 10.565 -15.822 -6.518 1.00 31.22 C ATOM 513 C ARG A 669 10.224 -17.197 -5.953 1.00 2.34 C ATOM 514 O ARG A 669 11.049 -18.110 -5.974 1.00 55.22 O ATOM 515 CB ARG A 669 11.271 -14.981 -5.452 1.00 42.34 C ATOM 516 CG ARG A 669 10.683 -15.144 -4.061 1.00 15.11 C ATOM 517 CD ARG A 669 11.405 -16.226 -3.274 1.00 14.22 C ATOM 518 NE ARG A 669 11.305 -16.013 -1.832 1.00 0.13 N ATOM 519 CZ ARG A 669 11.525 -16.965 -0.931 1.00 24.12 C ATOM 520 NH1 ARG A 669 11.856 -18.188 -1.323 1.00 34.23 N ATOM 521 NH2 ARG A 669 11.416 -16.694 0.363 1.00 3.34 N ATOM 0 H ARG A 669 9.229 -14.208 -6.595 1.00 61.11 H new ATOM 0 HA ARG A 669 11.233 -15.954 -7.369 1.00 31.22 H new ATOM 0 HB2 ARG A 669 12.326 -15.254 -5.426 1.00 42.34 H new ATOM 0 HB3 ARG A 669 11.221 -13.930 -5.738 1.00 42.34 H new ATOM 0 HG2 ARG A 669 10.748 -14.198 -3.524 1.00 15.11 H new ATOM 0 HG3 ARG A 669 9.625 -15.394 -4.139 1.00 15.11 H new ATOM 0 HD2 ARG A 669 10.985 -17.200 -3.527 1.00 14.22 H new ATOM 0 HD3 ARG A 669 12.455 -16.247 -3.565 1.00 14.22 H new ATOM 0 HE ARG A 669 11.053 -15.083 -1.498 1.00 0.13 H new ATOM 0 HH11 ARG A 669 11.942 -18.399 -2.317 1.00 34.23 H new ATOM 0 HH12 ARG A 669 12.025 -18.917 -0.630 1.00 34.23 H new ATOM 0 HH21 ARG A 669 11.163 -15.754 0.668 1.00 3.34 H new ATOM 0 HH22 ARG A 669 11.585 -17.426 1.053 1.00 3.34 H new ATOM 535 N ARG A 670 9.002 -17.336 -5.448 1.00 55.52 N ATOM 536 CA ARG A 670 8.552 -18.600 -4.876 1.00 12.42 C ATOM 537 C ARG A 670 8.529 -19.700 -5.934 1.00 34.35 C ATOM 538 O ARG A 670 8.787 -20.866 -5.636 1.00 62.54 O ATOM 539 CB ARG A 670 7.159 -18.438 -4.262 1.00 52.15 C ATOM 540 CG ARG A 670 7.173 -17.810 -2.878 1.00 4.42 C ATOM 541 CD ARG A 670 7.664 -18.792 -1.825 1.00 20.02 C ATOM 542 NE ARG A 670 6.581 -19.621 -1.302 1.00 30.31 N ATOM 543 CZ ARG A 670 6.720 -20.441 -0.266 1.00 2.44 C ATOM 544 NH1 ARG A 670 7.887 -20.542 0.353 1.00 10.24 N ATOM 545 NH2 ARG A 670 5.686 -21.163 0.152 1.00 62.53 N ATOM 0 H ARG A 670 8.307 -16.590 -5.423 1.00 55.52 H new ATOM 0 HA ARG A 670 9.256 -18.887 -4.095 1.00 12.42 H new ATOM 0 HB2 ARG A 670 6.548 -17.824 -4.924 1.00 52.15 H new ATOM 0 HB3 ARG A 670 6.681 -19.416 -4.203 1.00 52.15 H new ATOM 0 HG2 ARG A 670 7.815 -16.929 -2.883 1.00 4.42 H new ATOM 0 HG3 ARG A 670 6.169 -17.471 -2.621 1.00 4.42 H new ATOM 0 HD2 ARG A 670 8.434 -19.432 -2.257 1.00 20.02 H new ATOM 0 HD3 ARG A 670 8.128 -18.243 -1.006 1.00 20.02 H new ATOM 0 HE ARG A 670 5.669 -19.567 -1.756 1.00 30.31 H new ATOM 0 HH11 ARG A 670 8.683 -19.989 0.035 1.00 10.24 H new ATOM 0 HH12 ARG A 670 7.990 -21.173 1.148 1.00 10.24 H new ATOM 0 HH21 ARG A 670 4.786 -21.088 -0.322 1.00 62.53 H new ATOM 0 HH22 ARG A 670 5.792 -21.793 0.947 1.00 62.53 H new ATOM 559 N HIS A 671 8.218 -19.319 -7.168 1.00 32.14 N ATOM 560 CA HIS A 671 8.161 -20.271 -8.271 1.00 54.25 C ATOM 561 C HIS A 671 9.546 -20.839 -8.570 1.00 11.32 C ATOM 562 O HIS A 671 9.678 -21.842 -9.271 1.00 63.22 O ATOM 563 CB HIS A 671 7.590 -19.604 -9.522 1.00 22.15 C ATOM 564 CG HIS A 671 6.282 -20.182 -9.965 1.00 1.41 C ATOM 565 ND1 HIS A 671 5.209 -20.357 -9.116 1.00 12.04 N ATOM 566 CD2 HIS A 671 5.875 -20.625 -11.177 1.00 64.03 C ATOM 567 CE1 HIS A 671 4.201 -20.883 -9.786 1.00 44.54 C ATOM 568 NE2 HIS A 671 4.578 -21.056 -11.040 1.00 12.10 N ATOM 0 H HIS A 671 8.001 -18.357 -7.430 1.00 32.14 H new ATOM 0 HA HIS A 671 7.506 -21.091 -7.976 1.00 54.25 H new ATOM 0 HB2 HIS A 671 7.460 -18.539 -9.329 1.00 22.15 H new ATOM 0 HB3 HIS A 671 8.312 -19.695 -10.334 1.00 22.15 H new ATOM 0 HD2 HIS A 671 6.461 -20.637 -12.084 1.00 64.03 H new ATOM 0 HE1 HIS A 671 3.232 -21.130 -9.378 1.00 44.54 H new ATOM 0 HE2 HIS A 671 4.000 -21.446 -11.785 1.00 12.10 H new ATOM 576 N HIS A 672 10.574 -20.190 -8.033 1.00 53.15 N ATOM 577 CA HIS A 672 11.949 -20.630 -8.243 1.00 51.30 C ATOM 578 C HIS A 672 12.271 -20.717 -9.732 1.00 11.22 C ATOM 579 O HIS A 672 12.574 -21.792 -10.250 1.00 51.41 O ATOM 580 CB HIS A 672 12.179 -21.989 -7.580 1.00 11.21 C ATOM 581 CG HIS A 672 13.603 -22.449 -7.634 1.00 12.32 C ATOM 582 ND1 HIS A 672 13.964 -23.779 -7.652 1.00 41.13 N ATOM 583 CD2 HIS A 672 14.759 -21.747 -7.676 1.00 20.43 C ATOM 584 CE1 HIS A 672 15.281 -23.875 -7.702 1.00 42.41 C ATOM 585 NE2 HIS A 672 15.787 -22.655 -7.717 1.00 44.14 N ATOM 0 H HIS A 672 10.481 -19.358 -7.450 1.00 53.15 H new ATOM 0 HA HIS A 672 12.613 -19.895 -7.788 1.00 51.30 H new ATOM 0 HB2 HIS A 672 11.863 -21.934 -6.538 1.00 11.21 H new ATOM 0 HB3 HIS A 672 11.547 -22.732 -8.066 1.00 11.21 H new ATOM 0 HD2 HIS A 672 14.855 -20.671 -7.677 1.00 20.43 H new ATOM 0 HE1 HIS A 672 15.847 -24.794 -7.726 1.00 42.41 H new ATOM 0 HE2 HIS A 672 16.780 -22.425 -7.753 1.00 44.14 H new ATOM 593 N HIS A 673 12.201 -19.578 -10.414 1.00 42.24 N ATOM 594 CA HIS A 673 12.485 -19.526 -11.844 1.00 42.31 C ATOM 595 C HIS A 673 13.617 -18.547 -12.138 1.00 31.21 C ATOM 596 O HIS A 673 14.423 -18.767 -13.042 1.00 65.22 O ATOM 597 CB HIS A 673 11.231 -19.122 -12.620 1.00 60.32 C ATOM 598 CG HIS A 673 11.225 -19.599 -14.040 1.00 23.44 C ATOM 599 ND1 HIS A 673 11.385 -20.922 -14.390 1.00 70.22 N ATOM 600 CD2 HIS A 673 11.076 -18.919 -15.201 1.00 3.10 C ATOM 601 CE1 HIS A 673 11.336 -21.037 -15.705 1.00 44.31 C ATOM 602 NE2 HIS A 673 11.148 -19.836 -16.221 1.00 34.20 N ATOM 0 H HIS A 673 11.950 -18.680 -10.000 1.00 42.24 H new ATOM 0 HA HIS A 673 12.796 -20.520 -12.164 1.00 42.31 H new ATOM 0 HB2 HIS A 673 10.354 -19.519 -12.109 1.00 60.32 H new ATOM 0 HB3 HIS A 673 11.142 -18.036 -12.610 1.00 60.32 H new ATOM 0 HD2 HIS A 673 10.928 -17.854 -15.306 1.00 3.10 H new ATOM 0 HE1 HIS A 673 11.433 -21.957 -16.263 1.00 44.31 H new ATOM 0 HE2 HIS A 673 11.069 -19.624 -17.216 1.00 34.20 H new ATOM 610 N HIS A 674 13.671 -17.464 -11.369 1.00 32.03 N ATOM 611 CA HIS A 674 14.705 -16.450 -11.547 1.00 40.42 C ATOM 612 C HIS A 674 15.156 -15.893 -10.200 1.00 24.34 C ATOM 613 O HIS A 674 14.566 -16.193 -9.162 1.00 3.34 O ATOM 614 CB HIS A 674 14.190 -15.317 -12.435 1.00 40.35 C ATOM 615 CG HIS A 674 14.821 -15.286 -13.793 1.00 55.12 C ATOM 616 ND1 HIS A 674 16.131 -14.909 -14.005 1.00 21.34 N ATOM 617 CD2 HIS A 674 14.316 -15.590 -15.011 1.00 54.04 C ATOM 618 CE1 HIS A 674 16.403 -14.980 -15.296 1.00 14.51 C ATOM 619 NE2 HIS A 674 15.319 -15.392 -15.928 1.00 23.43 N ATOM 0 H HIS A 674 13.011 -17.266 -10.617 1.00 32.03 H new ATOM 0 HA HIS A 674 15.561 -16.920 -12.031 1.00 40.42 H new ATOM 0 HB2 HIS A 674 13.110 -15.417 -12.547 1.00 40.35 H new ATOM 0 HB3 HIS A 674 14.372 -14.365 -11.937 1.00 40.35 H new ATOM 0 HD2 HIS A 674 13.312 -15.926 -15.223 1.00 54.04 H new ATOM 0 HE1 HIS A 674 17.351 -14.742 -15.756 1.00 14.51 H new ATOM 0 HE2 HIS A 674 15.240 -15.539 -16.934 1.00 23.43 H new ATOM 627 N HIS A 675 16.207 -15.080 -10.224 1.00 64.30 N ATOM 628 CA HIS A 675 16.738 -14.480 -9.006 1.00 34.20 C ATOM 629 C HIS A 675 17.290 -13.085 -9.283 1.00 35.13 C ATOM 630 O HIS A 675 17.637 -12.757 -10.418 1.00 14.14 O ATOM 631 CB HIS A 675 17.833 -15.366 -8.411 1.00 22.32 C ATOM 632 CG HIS A 675 18.998 -15.576 -9.329 1.00 32.02 C ATOM 633 ND1 HIS A 675 19.214 -16.754 -10.012 1.00 42.34 N ATOM 634 CD2 HIS A 675 20.011 -14.750 -9.676 1.00 72.34 C ATOM 635 CE1 HIS A 675 20.312 -16.644 -10.739 1.00 31.20 C ATOM 636 NE2 HIS A 675 20.815 -15.437 -10.553 1.00 23.11 N ATOM 0 H HIS A 675 16.708 -14.822 -11.074 1.00 64.30 H new ATOM 0 HA HIS A 675 15.922 -14.392 -8.288 1.00 34.20 H new ATOM 0 HB2 HIS A 675 18.188 -14.917 -7.483 1.00 22.32 H new ATOM 0 HB3 HIS A 675 17.405 -16.335 -8.153 1.00 22.32 H new ATOM 0 HD2 HIS A 675 20.160 -13.738 -9.328 1.00 72.34 H new ATOM 0 HE1 HIS A 675 20.727 -17.410 -11.377 1.00 31.20 H new ATOM 0 HE2 HIS A 675 21.662 -15.074 -10.989 1.00 23.11 H new ATOM 644 N HIS A 676 17.369 -12.267 -8.238 1.00 34.14 N ATOM 645 CA HIS A 676 17.880 -10.906 -8.368 1.00 2.42 C ATOM 646 C HIS A 676 19.197 -10.745 -7.617 1.00 61.32 C ATOM 647 O HIS A 676 19.515 -11.582 -6.773 1.00 43.42 O ATOM 648 CB HIS A 676 16.853 -9.901 -7.843 1.00 72.24 C ATOM 649 CG HIS A 676 15.645 -9.767 -8.717 1.00 24.02 C ATOM 650 ND1 HIS A 676 15.190 -8.554 -9.191 1.00 12.01 N ATOM 651 CD2 HIS A 676 14.797 -10.702 -9.206 1.00 24.41 C ATOM 652 CE1 HIS A 676 14.113 -8.748 -9.931 1.00 73.41 C ATOM 653 NE2 HIS A 676 13.854 -10.043 -9.957 1.00 0.01 N ATOM 0 H HIS A 676 17.086 -12.522 -7.292 1.00 34.14 H new ATOM 0 HA HIS A 676 18.060 -10.712 -9.425 1.00 2.42 H new ATOM 0 HB2 HIS A 676 16.537 -10.205 -6.845 1.00 72.24 H new ATOM 0 HB3 HIS A 676 17.329 -8.926 -7.744 1.00 72.24 H new ATOM 0 HD2 HIS A 676 14.852 -11.767 -9.037 1.00 24.41 H new ATOM 0 HE1 HIS A 676 13.542 -7.979 -10.430 1.00 73.41 H new ATOM 0 HE2 HIS A 676 13.079 -10.483 -10.454 1.00 0.01 H new TER 661 HIS A 676 ATOM 662 N MET B 637 -10.114 31.029 6.858 1.00 41.54 N ATOM 663 CA MET B 637 -9.413 32.164 6.271 1.00 11.31 C ATOM 664 C MET B 637 -8.446 31.704 5.185 1.00 53.31 C ATOM 665 O MET B 637 -8.144 32.448 4.253 1.00 75.41 O ATOM 666 CB MET B 637 -8.654 32.936 7.352 1.00 12.14 C ATOM 667 CG MET B 637 -8.869 34.440 7.288 1.00 14.12 C ATOM 668 SD MET B 637 -9.575 35.106 8.809 1.00 45.51 S ATOM 669 CE MET B 637 -8.443 36.451 9.147 1.00 4.12 C ATOM 0 HA MET B 637 -10.154 32.822 5.817 1.00 11.31 H new ATOM 0 HB2 MET B 637 -8.965 32.574 8.332 1.00 12.14 H new ATOM 0 HB3 MET B 637 -7.589 32.725 7.258 1.00 12.14 H new ATOM 0 HG2 MET B 637 -7.917 34.931 7.089 1.00 14.12 H new ATOM 0 HG3 MET B 637 -9.529 34.674 6.453 1.00 14.12 H new ATOM 0 HE1 MET B 637 -8.747 36.962 10.060 1.00 4.12 H new ATOM 0 HE2 MET B 637 -7.435 36.056 9.271 1.00 4.12 H new ATOM 0 HE3 MET B 637 -8.456 37.156 8.315 1.00 4.12 H new ATOM 679 N GLY B 638 -7.963 30.472 5.312 1.00 43.33 N ATOM 680 CA GLY B 638 -7.035 29.934 4.334 1.00 52.20 C ATOM 681 C GLY B 638 -7.022 28.418 4.320 1.00 2.22 C ATOM 682 O GLY B 638 -6.181 27.791 4.963 1.00 32.33 O ATOM 0 H GLY B 638 -8.198 29.837 6.075 1.00 43.33 H new ATOM 0 HA2 GLY B 638 -7.303 30.301 3.343 1.00 52.20 H new ATOM 0 HA3 GLY B 638 -6.032 30.301 4.550 1.00 52.20 H new ATOM 686 N ARG B 639 -7.958 27.827 3.584 1.00 23.13 N ATOM 687 CA ARG B 639 -8.054 26.375 3.491 1.00 61.45 C ATOM 688 C ARG B 639 -8.368 25.942 2.062 1.00 2.41 C ATOM 689 O ARG B 639 -9.533 25.799 1.687 1.00 61.04 O ATOM 690 CB ARG B 639 -9.129 25.851 4.443 1.00 41.44 C ATOM 691 CG ARG B 639 -9.011 26.398 5.856 1.00 3.33 C ATOM 692 CD ARG B 639 -7.733 25.927 6.531 1.00 61.50 C ATOM 693 NE ARG B 639 -8.000 24.976 7.606 1.00 73.33 N ATOM 694 CZ ARG B 639 -8.517 25.319 8.780 1.00 4.23 C ATOM 695 NH1 ARG B 639 -8.825 26.585 9.028 1.00 33.41 N ATOM 696 NH2 ARG B 639 -8.731 24.395 9.708 1.00 32.11 N ATOM 0 H ARG B 639 -8.661 28.332 3.043 1.00 23.13 H new ATOM 0 HA ARG B 639 -7.090 25.953 3.777 1.00 61.45 H new ATOM 0 HB2 ARG B 639 -10.111 26.106 4.045 1.00 41.44 H new ATOM 0 HB3 ARG B 639 -9.072 24.763 4.478 1.00 41.44 H new ATOM 0 HG2 ARG B 639 -9.029 27.487 5.828 1.00 3.33 H new ATOM 0 HG3 ARG B 639 -9.872 26.080 6.443 1.00 3.33 H new ATOM 0 HD2 ARG B 639 -7.082 25.463 5.790 1.00 61.50 H new ATOM 0 HD3 ARG B 639 -7.197 26.787 6.933 1.00 61.50 H new ATOM 0 HE ARG B 639 -7.777 23.994 7.446 1.00 73.33 H new ATOM 0 HH11 ARG B 639 -8.665 27.298 8.316 1.00 33.41 H new ATOM 0 HH12 ARG B 639 -9.222 26.846 9.931 1.00 33.41 H new ATOM 0 HH21 ARG B 639 -8.498 23.420 9.520 1.00 32.11 H new ATOM 0 HH22 ARG B 639 -9.128 24.660 10.609 1.00 32.11 H new ATOM 710 N THR B 640 -7.324 25.735 1.267 1.00 73.41 N ATOM 711 CA THR B 640 -7.488 25.320 -0.120 1.00 24.10 C ATOM 712 C THR B 640 -6.577 24.143 -0.454 1.00 32.25 C ATOM 713 O THR B 640 -7.028 23.128 -0.985 1.00 60.42 O ATOM 714 CB THR B 640 -7.190 26.477 -1.092 1.00 13.21 C ATOM 715 OG1 THR B 640 -8.053 27.586 -0.813 1.00 74.12 O ATOM 716 CG2 THR B 640 -7.376 26.033 -2.535 1.00 34.53 C ATOM 0 H THR B 640 -6.354 25.848 1.561 1.00 73.41 H new ATOM 0 HA THR B 640 -8.528 25.016 -0.237 1.00 24.10 H new ATOM 0 HB THR B 640 -6.152 26.781 -0.953 1.00 13.21 H new ATOM 0 HG1 THR B 640 -7.856 28.318 -1.434 1.00 74.12 H new ATOM 0 HG21 THR B 640 -7.160 26.867 -3.203 1.00 34.53 H new ATOM 0 HG22 THR B 640 -6.697 25.209 -2.752 1.00 34.53 H new ATOM 0 HG23 THR B 640 -8.405 25.705 -2.685 1.00 34.53 H new ATOM 724 N HIS B 641 -5.294 24.287 -0.137 1.00 65.53 N ATOM 725 CA HIS B 641 -4.320 23.234 -0.404 1.00 12.01 C ATOM 726 C HIS B 641 -4.667 21.965 0.369 1.00 61.22 C ATOM 727 O HIS B 641 -4.133 20.891 0.089 1.00 3.40 O ATOM 728 CB HIS B 641 -2.915 23.705 -0.029 1.00 74.45 C ATOM 729 CG HIS B 641 -2.656 23.705 1.446 1.00 74.32 C ATOM 730 ND1 HIS B 641 -1.606 23.023 2.026 1.00 11.42 N ATOM 731 CD2 HIS B 641 -3.316 24.310 2.460 1.00 52.33 C ATOM 732 CE1 HIS B 641 -1.634 23.208 3.334 1.00 73.04 C ATOM 733 NE2 HIS B 641 -2.662 23.986 3.623 1.00 50.25 N ATOM 0 H HIS B 641 -4.905 25.120 0.304 1.00 65.53 H new ATOM 0 HA HIS B 641 -4.348 23.008 -1.470 1.00 12.01 H new ATOM 0 HB2 HIS B 641 -2.183 23.062 -0.518 1.00 74.45 H new ATOM 0 HB3 HIS B 641 -2.763 24.713 -0.416 1.00 74.45 H new ATOM 0 HD1 HIS B 641 -0.916 22.464 1.524 1.00 11.42 H new ATOM 0 HD2 HIS B 641 -4.194 24.932 2.371 1.00 52.33 H new ATOM 0 HE1 HIS B 641 -0.935 22.794 4.046 1.00 73.04 H new ATOM 741 N LEU B 642 -5.562 22.097 1.342 1.00 65.04 N ATOM 742 CA LEU B 642 -5.979 20.960 2.155 1.00 1.32 C ATOM 743 C LEU B 642 -6.836 19.995 1.343 1.00 42.33 C ATOM 744 O LEU B 642 -6.807 18.784 1.565 1.00 42.14 O ATOM 745 CB LEU B 642 -6.757 21.444 3.380 1.00 1.20 C ATOM 746 CG LEU B 642 -5.916 21.958 4.549 1.00 14.31 C ATOM 747 CD1 LEU B 642 -6.728 22.911 5.412 1.00 13.14 C ATOM 748 CD2 LEU B 642 -5.392 20.797 5.381 1.00 14.34 C ATOM 0 H LEU B 642 -6.012 22.979 1.587 1.00 65.04 H new ATOM 0 HA LEU B 642 -5.084 20.432 2.485 1.00 1.32 H new ATOM 0 HB2 LEU B 642 -7.431 22.241 3.066 1.00 1.20 H new ATOM 0 HB3 LEU B 642 -7.378 20.623 3.739 1.00 1.20 H new ATOM 0 HG LEU B 642 -5.063 22.503 4.145 1.00 14.31 H new ATOM 0 HD11 LEU B 642 -6.113 23.267 6.239 1.00 13.14 H new ATOM 0 HD12 LEU B 642 -7.053 23.760 4.810 1.00 13.14 H new ATOM 0 HD13 LEU B 642 -7.601 22.391 5.806 1.00 13.14 H new ATOM 0 HD21 LEU B 642 -4.796 21.182 6.208 1.00 14.34 H new ATOM 0 HD22 LEU B 642 -6.231 20.224 5.775 1.00 14.34 H new ATOM 0 HD23 LEU B 642 -4.773 20.152 4.757 1.00 14.34 H new ATOM 760 N THR B 643 -7.599 20.538 0.400 1.00 4.44 N ATOM 761 CA THR B 643 -8.464 19.726 -0.446 1.00 24.22 C ATOM 762 C THR B 643 -7.656 18.707 -1.241 1.00 52.44 C ATOM 763 O THR B 643 -7.910 17.504 -1.166 1.00 4.12 O ATOM 764 CB THR B 643 -9.273 20.598 -1.426 1.00 74.54 C ATOM 765 OG1 THR B 643 -9.695 21.801 -0.775 1.00 11.31 O ATOM 766 CG2 THR B 643 -10.485 19.843 -1.948 1.00 10.32 C ATOM 0 H THR B 643 -7.635 21.538 0.203 1.00 4.44 H new ATOM 0 HA THR B 643 -9.153 19.203 0.218 1.00 24.22 H new ATOM 0 HB THR B 643 -8.632 20.849 -2.271 1.00 74.54 H new ATOM 0 HG1 THR B 643 -8.984 22.473 -0.836 1.00 11.31 H new ATOM 0 HG21 THR B 643 -11.040 20.479 -2.638 1.00 10.32 H new ATOM 0 HG22 THR B 643 -10.157 18.943 -2.468 1.00 10.32 H new ATOM 0 HG23 THR B 643 -11.128 19.565 -1.113 1.00 10.32 H new ATOM 774 N MET B 644 -6.680 19.194 -2.000 1.00 53.15 N ATOM 775 CA MET B 644 -5.832 18.323 -2.806 1.00 5.11 C ATOM 776 C MET B 644 -5.038 17.366 -1.923 1.00 71.30 C ATOM 777 O MET B 644 -5.008 16.160 -2.166 1.00 1.14 O ATOM 778 CB MET B 644 -4.878 19.156 -3.663 1.00 42.05 C ATOM 779 CG MET B 644 -5.585 20.029 -4.687 1.00 24.30 C ATOM 780 SD MET B 644 -4.452 21.116 -5.575 1.00 15.22 S ATOM 781 CE MET B 644 -4.246 20.213 -7.108 1.00 13.53 C ATOM 0 H MET B 644 -6.457 20.186 -2.074 1.00 53.15 H new ATOM 0 HA MET B 644 -6.476 17.735 -3.459 1.00 5.11 H new ATOM 0 HB2 MET B 644 -4.277 19.790 -3.011 1.00 42.05 H new ATOM 0 HB3 MET B 644 -4.190 18.487 -4.181 1.00 42.05 H new ATOM 0 HG2 MET B 644 -6.107 19.393 -5.402 1.00 24.30 H new ATOM 0 HG3 MET B 644 -6.341 20.632 -4.184 1.00 24.30 H new ATOM 0 HE1 MET B 644 -3.570 20.760 -7.765 1.00 13.53 H new ATOM 0 HE2 MET B 644 -3.829 19.228 -6.897 1.00 13.53 H new ATOM 0 HE3 MET B 644 -5.214 20.100 -7.597 1.00 13.53 H new ATOM 791 N ALA B 645 -4.395 17.913 -0.896 1.00 73.45 N ATOM 792 CA ALA B 645 -3.601 17.108 0.024 1.00 61.12 C ATOM 793 C ALA B 645 -4.451 16.023 0.677 1.00 33.30 C ATOM 794 O ALA B 645 -4.011 14.883 0.829 1.00 42.03 O ATOM 795 CB ALA B 645 -2.965 17.993 1.086 1.00 73.00 C ATOM 0 H ALA B 645 -4.409 18.910 -0.681 1.00 73.45 H new ATOM 0 HA ALA B 645 -2.811 16.620 -0.547 1.00 61.12 H new ATOM 0 HB1 ALA B 645 -2.375 17.379 1.766 1.00 73.00 H new ATOM 0 HB2 ALA B 645 -2.318 18.728 0.607 1.00 73.00 H new ATOM 0 HB3 ALA B 645 -3.746 18.507 1.646 1.00 73.00 H new ATOM 801 N LEU B 646 -5.669 16.385 1.063 1.00 45.25 N ATOM 802 CA LEU B 646 -6.582 15.442 1.700 1.00 40.01 C ATOM 803 C LEU B 646 -6.901 14.278 0.767 1.00 73.14 C ATOM 804 O LEU B 646 -6.917 13.120 1.185 1.00 51.15 O ATOM 805 CB LEU B 646 -7.873 16.150 2.111 1.00 20.12 C ATOM 806 CG LEU B 646 -7.847 16.864 3.463 1.00 72.20 C ATOM 807 CD1 LEU B 646 -8.842 18.014 3.479 1.00 75.43 C ATOM 808 CD2 LEU B 646 -8.143 15.884 4.589 1.00 14.13 C ATOM 0 H LEU B 646 -6.048 17.325 0.946 1.00 45.25 H new ATOM 0 HA LEU B 646 -6.093 15.046 2.590 1.00 40.01 H new ATOM 0 HB2 LEU B 646 -8.124 16.881 1.342 1.00 20.12 H new ATOM 0 HB3 LEU B 646 -8.678 15.415 2.127 1.00 20.12 H new ATOM 0 HG LEU B 646 -6.849 17.273 3.617 1.00 72.20 H new ATOM 0 HD11 LEU B 646 -8.809 18.510 4.449 1.00 75.43 H new ATOM 0 HD12 LEU B 646 -8.585 18.729 2.697 1.00 75.43 H new ATOM 0 HD13 LEU B 646 -9.846 17.629 3.302 1.00 75.43 H new ATOM 0 HD21 LEU B 646 -8.120 16.409 5.544 1.00 14.13 H new ATOM 0 HD22 LEU B 646 -9.130 15.445 4.440 1.00 14.13 H new ATOM 0 HD23 LEU B 646 -7.391 15.095 4.591 1.00 14.13 H new ATOM 820 N THR B 647 -7.154 14.593 -0.500 1.00 53.30 N ATOM 821 CA THR B 647 -7.471 13.574 -1.492 1.00 21.45 C ATOM 822 C THR B 647 -6.328 12.578 -1.643 1.00 72.31 C ATOM 823 O THR B 647 -6.547 11.368 -1.700 1.00 24.24 O ATOM 824 CB THR B 647 -7.776 14.202 -2.864 1.00 21.51 C ATOM 825 OG1 THR B 647 -8.853 15.138 -2.747 1.00 23.11 O ATOM 826 CG2 THR B 647 -8.136 13.132 -3.882 1.00 41.23 C ATOM 0 H THR B 647 -7.145 15.546 -0.863 1.00 53.30 H new ATOM 0 HA THR B 647 -8.358 13.051 -1.135 1.00 21.45 H new ATOM 0 HB THR B 647 -6.881 14.720 -3.207 1.00 21.51 H new ATOM 0 HG1 THR B 647 -8.561 15.908 -2.216 1.00 23.11 H new ATOM 0 HG21 THR B 647 -8.347 13.601 -4.843 1.00 41.23 H new ATOM 0 HG22 THR B 647 -7.302 12.439 -3.992 1.00 41.23 H new ATOM 0 HG23 THR B 647 -9.017 12.588 -3.542 1.00 41.23 H new ATOM 834 N VAL B 648 -5.104 13.095 -1.708 1.00 12.34 N ATOM 835 CA VAL B 648 -3.924 12.251 -1.851 1.00 53.13 C ATOM 836 C VAL B 648 -3.803 11.274 -0.687 1.00 52.22 C ATOM 837 O VAL B 648 -3.633 10.071 -0.888 1.00 13.35 O ATOM 838 CB VAL B 648 -2.638 13.094 -1.936 1.00 44.45 C ATOM 839 CG1 VAL B 648 -1.412 12.194 -1.967 1.00 33.43 C ATOM 840 CG2 VAL B 648 -2.675 14.000 -3.158 1.00 14.22 C ATOM 0 H VAL B 648 -4.905 14.094 -1.664 1.00 12.34 H new ATOM 0 HA VAL B 648 -4.045 11.692 -2.779 1.00 53.13 H new ATOM 0 HB VAL B 648 -2.576 13.723 -1.048 1.00 44.45 H new ATOM 0 HG11 VAL B 648 -0.512 12.807 -2.027 1.00 33.43 H new ATOM 0 HG12 VAL B 648 -1.380 11.591 -1.060 1.00 33.43 H new ATOM 0 HG13 VAL B 648 -1.464 11.539 -2.837 1.00 33.43 H new ATOM 0 HG21 VAL B 648 -1.759 14.589 -3.202 1.00 14.22 H new ATOM 0 HG22 VAL B 648 -2.760 13.392 -4.059 1.00 14.22 H new ATOM 0 HG23 VAL B 648 -3.533 14.669 -3.089 1.00 14.22 H new ATOM 850 N ILE B 649 -3.890 11.800 0.530 1.00 53.34 N ATOM 851 CA ILE B 649 -3.791 10.973 1.728 1.00 4.14 C ATOM 852 C ILE B 649 -4.843 9.868 1.720 1.00 33.25 C ATOM 853 O ILE B 649 -4.527 8.696 1.925 1.00 23.22 O ATOM 854 CB ILE B 649 -3.956 11.814 3.007 1.00 24.41 C ATOM 855 CG1 ILE B 649 -2.839 12.856 3.105 1.00 11.52 C ATOM 856 CG2 ILE B 649 -3.959 10.916 4.234 1.00 13.33 C ATOM 857 CD1 ILE B 649 -2.944 13.740 4.328 1.00 73.52 C ATOM 0 H ILE B 649 -4.029 12.794 0.713 1.00 53.34 H new ATOM 0 HA ILE B 649 -2.797 10.526 1.723 1.00 4.14 H new ATOM 0 HB ILE B 649 -4.912 12.336 2.961 1.00 24.41 H new ATOM 0 HG12 ILE B 649 -1.876 12.345 3.117 1.00 11.52 H new ATOM 0 HG13 ILE B 649 -2.857 13.481 2.212 1.00 11.52 H new ATOM 0 HG21 ILE B 649 -4.076 11.525 5.130 1.00 13.33 H new ATOM 0 HG22 ILE B 649 -4.785 10.209 4.165 1.00 13.33 H new ATOM 0 HG23 ILE B 649 -3.017 10.370 4.287 1.00 13.33 H new ATOM 0 HD11 ILE B 649 -2.121 14.454 4.333 1.00 73.52 H new ATOM 0 HD12 ILE B 649 -3.891 14.279 4.307 1.00 73.52 H new ATOM 0 HD13 ILE B 649 -2.896 13.125 5.227 1.00 73.52 H new ATOM 869 N ALA B 650 -6.094 10.250 1.483 1.00 72.41 N ATOM 870 CA ALA B 650 -7.191 9.291 1.445 1.00 60.12 C ATOM 871 C ALA B 650 -6.974 8.252 0.350 1.00 54.41 C ATOM 872 O ALA B 650 -7.196 7.060 0.560 1.00 62.32 O ATOM 873 CB ALA B 650 -8.515 10.012 1.238 1.00 71.31 C ATOM 0 H ALA B 650 -6.373 11.217 1.315 1.00 72.41 H new ATOM 0 HA ALA B 650 -7.220 8.770 2.402 1.00 60.12 H new ATOM 0 HB1 ALA B 650 -9.326 9.284 1.212 1.00 71.31 H new ATOM 0 HB2 ALA B 650 -8.681 10.710 2.058 1.00 71.31 H new ATOM 0 HB3 ALA B 650 -8.488 10.559 0.296 1.00 71.31 H new ATOM 879 N GLY B 651 -6.540 8.712 -0.819 1.00 2.14 N ATOM 880 CA GLY B 651 -6.303 7.809 -1.930 1.00 71.33 C ATOM 881 C GLY B 651 -5.357 6.681 -1.568 1.00 21.54 C ATOM 882 O GLY B 651 -5.666 5.509 -1.785 1.00 13.53 O ATOM 0 H GLY B 651 -6.348 9.694 -1.017 1.00 2.14 H new ATOM 0 HA2 GLY B 651 -7.253 7.390 -2.263 1.00 71.33 H new ATOM 0 HA3 GLY B 651 -5.891 8.370 -2.769 1.00 71.33 H new ATOM 886 N LEU B 652 -4.202 7.035 -1.017 1.00 73.45 N ATOM 887 CA LEU B 652 -3.206 6.043 -0.625 1.00 44.11 C ATOM 888 C LEU B 652 -3.778 5.075 0.405 1.00 30.01 C ATOM 889 O LEU B 652 -3.692 3.857 0.243 1.00 15.31 O ATOM 890 CB LEU B 652 -1.964 6.734 -0.059 1.00 55.23 C ATOM 891 CG LEU B 652 -1.234 7.684 -1.007 1.00 61.52 C ATOM 892 CD1 LEU B 652 -0.136 8.436 -0.270 1.00 12.53 C ATOM 893 CD2 LEU B 652 -0.655 6.918 -2.189 1.00 1.01 C ATOM 0 H LEU B 652 -3.931 8.001 -0.831 1.00 73.45 H new ATOM 0 HA LEU B 652 -2.925 5.476 -1.512 1.00 44.11 H new ATOM 0 HB2 LEU B 652 -2.257 7.294 0.829 1.00 55.23 H new ATOM 0 HB3 LEU B 652 -1.262 5.966 0.266 1.00 55.23 H new ATOM 0 HG LEU B 652 -1.953 8.410 -1.386 1.00 61.52 H new ATOM 0 HD11 LEU B 652 0.373 9.108 -0.962 1.00 12.53 H new ATOM 0 HD12 LEU B 652 -0.574 9.016 0.542 1.00 12.53 H new ATOM 0 HD13 LEU B 652 0.582 7.724 0.138 1.00 12.53 H new ATOM 0 HD21 LEU B 652 -0.139 7.611 -2.854 1.00 1.01 H new ATOM 0 HD22 LEU B 652 0.049 6.169 -1.827 1.00 1.01 H new ATOM 0 HD23 LEU B 652 -1.461 6.425 -2.733 1.00 1.01 H new ATOM 905 N VAL B 653 -4.363 5.625 1.465 1.00 50.54 N ATOM 906 CA VAL B 653 -4.953 4.809 2.521 1.00 3.14 C ATOM 907 C VAL B 653 -5.938 3.797 1.948 1.00 65.24 C ATOM 908 O VAL B 653 -5.847 2.601 2.226 1.00 52.20 O ATOM 909 CB VAL B 653 -5.678 5.682 3.562 1.00 55.44 C ATOM 910 CG1 VAL B 653 -6.505 4.815 4.501 1.00 12.02 C ATOM 911 CG2 VAL B 653 -4.678 6.522 4.342 1.00 11.53 C ATOM 0 H VAL B 653 -4.441 6.631 1.615 1.00 50.54 H new ATOM 0 HA VAL B 653 -4.135 4.278 3.008 1.00 3.14 H new ATOM 0 HB VAL B 653 -6.354 6.357 3.038 1.00 55.44 H new ATOM 0 HG11 VAL B 653 -7.011 5.448 5.230 1.00 12.02 H new ATOM 0 HG12 VAL B 653 -7.247 4.261 3.926 1.00 12.02 H new ATOM 0 HG13 VAL B 653 -5.851 4.115 5.020 1.00 12.02 H new ATOM 0 HG21 VAL B 653 -5.208 7.133 5.073 1.00 11.53 H new ATOM 0 HG22 VAL B 653 -3.976 5.867 4.857 1.00 11.53 H new ATOM 0 HG23 VAL B 653 -4.133 7.170 3.655 1.00 11.53 H new ATOM 921 N VAL B 654 -6.879 4.283 1.144 1.00 55.21 N ATOM 922 CA VAL B 654 -7.881 3.420 0.530 1.00 52.42 C ATOM 923 C VAL B 654 -7.225 2.295 -0.263 1.00 21.33 C ATOM 924 O VAL B 654 -7.726 1.171 -0.295 1.00 52.31 O ATOM 925 CB VAL B 654 -8.812 4.216 -0.403 1.00 13.44 C ATOM 926 CG1 VAL B 654 -9.826 3.293 -1.060 1.00 21.21 C ATOM 927 CG2 VAL B 654 -9.511 5.328 0.366 1.00 14.23 C ATOM 0 H VAL B 654 -6.968 5.270 0.903 1.00 55.21 H new ATOM 0 HA VAL B 654 -8.471 2.993 1.341 1.00 52.42 H new ATOM 0 HB VAL B 654 -8.209 4.671 -1.189 1.00 13.44 H new ATOM 0 HG11 VAL B 654 -10.475 3.873 -1.716 1.00 21.21 H new ATOM 0 HG12 VAL B 654 -9.304 2.536 -1.644 1.00 21.21 H new ATOM 0 HG13 VAL B 654 -10.427 2.807 -0.292 1.00 21.21 H new ATOM 0 HG21 VAL B 654 -10.165 5.881 -0.308 1.00 14.23 H new ATOM 0 HG22 VAL B 654 -10.103 4.896 1.173 1.00 14.23 H new ATOM 0 HG23 VAL B 654 -8.766 6.005 0.785 1.00 14.23 H new ATOM 937 N ILE B 655 -6.103 2.606 -0.903 1.00 14.10 N ATOM 938 CA ILE B 655 -5.378 1.621 -1.695 1.00 73.01 C ATOM 939 C ILE B 655 -4.783 0.533 -0.809 1.00 53.23 C ATOM 940 O ILE B 655 -4.998 -0.657 -1.040 1.00 40.22 O ATOM 941 CB ILE B 655 -4.248 2.277 -2.512 1.00 1.20 C ATOM 942 CG1 ILE B 655 -4.832 3.229 -3.558 1.00 43.20 C ATOM 943 CG2 ILE B 655 -3.389 1.212 -3.177 1.00 41.22 C ATOM 944 CD1 ILE B 655 -3.886 4.338 -3.960 1.00 31.12 C ATOM 0 H ILE B 655 -5.676 3.532 -0.888 1.00 14.10 H new ATOM 0 HA ILE B 655 -6.099 1.174 -2.380 1.00 73.01 H new ATOM 0 HB ILE B 655 -3.618 2.854 -1.835 1.00 1.20 H new ATOM 0 HG12 ILE B 655 -5.107 2.657 -4.445 1.00 43.20 H new ATOM 0 HG13 ILE B 655 -5.749 3.669 -3.166 1.00 43.20 H new ATOM 0 HG21 ILE B 655 -2.595 1.691 -3.750 1.00 41.22 H new ATOM 0 HG22 ILE B 655 -2.949 0.570 -2.414 1.00 41.22 H new ATOM 0 HG23 ILE B 655 -4.007 0.611 -3.844 1.00 41.22 H new ATOM 0 HD11 ILE B 655 -4.366 4.974 -4.704 1.00 31.12 H new ATOM 0 HD12 ILE B 655 -3.631 4.934 -3.084 1.00 31.12 H new ATOM 0 HD13 ILE B 655 -2.979 3.907 -4.383 1.00 31.12 H new ATOM 956 N PHE B 656 -4.034 0.948 0.208 1.00 2.41 N ATOM 957 CA PHE B 656 -3.409 0.008 1.131 1.00 3.14 C ATOM 958 C PHE B 656 -4.457 -0.867 1.810 1.00 2.31 C ATOM 959 O PHE B 656 -4.250 -2.065 2.004 1.00 14.31 O ATOM 960 CB PHE B 656 -2.596 0.762 2.186 1.00 52.33 C ATOM 961 CG PHE B 656 -2.167 -0.099 3.340 1.00 51.23 C ATOM 962 CD1 PHE B 656 -1.734 -1.399 3.128 1.00 21.53 C ATOM 963 CD2 PHE B 656 -2.196 0.390 4.636 1.00 2.42 C ATOM 964 CE1 PHE B 656 -1.339 -2.193 4.187 1.00 15.33 C ATOM 965 CE2 PHE B 656 -1.802 -0.399 5.700 1.00 44.35 C ATOM 966 CZ PHE B 656 -1.372 -1.693 5.474 1.00 10.15 C ATOM 0 H PHE B 656 -3.845 1.929 0.413 1.00 2.41 H new ATOM 0 HA PHE B 656 -2.741 -0.635 0.558 1.00 3.14 H new ATOM 0 HB2 PHE B 656 -1.712 1.190 1.714 1.00 52.33 H new ATOM 0 HB3 PHE B 656 -3.190 1.594 2.565 1.00 52.33 H new ATOM 0 HD1 PHE B 656 -1.705 -1.795 2.124 1.00 21.53 H new ATOM 0 HD2 PHE B 656 -2.531 1.401 4.817 1.00 2.42 H new ATOM 0 HE1 PHE B 656 -1.005 -3.204 4.009 1.00 15.33 H new ATOM 0 HE2 PHE B 656 -1.830 -0.006 6.705 1.00 44.35 H new ATOM 0 HZ PHE B 656 -1.062 -2.312 6.303 1.00 10.15 H new ATOM 976 N MET B 657 -5.585 -0.260 2.169 1.00 52.12 N ATOM 977 CA MET B 657 -6.666 -0.985 2.826 1.00 30.04 C ATOM 978 C MET B 657 -7.378 -1.908 1.842 1.00 54.45 C ATOM 979 O MET B 657 -7.498 -3.110 2.082 1.00 3.21 O ATOM 980 CB MET B 657 -7.669 -0.003 3.437 1.00 30.40 C ATOM 981 CG MET B 657 -7.102 0.801 4.595 1.00 23.41 C ATOM 982 SD MET B 657 -8.371 1.328 5.763 1.00 65.22 S ATOM 983 CE MET B 657 -9.164 2.637 4.833 1.00 23.12 C ATOM 0 H MET B 657 -5.773 0.731 2.016 1.00 52.12 H new ATOM 0 HA MET B 657 -6.232 -1.593 3.620 1.00 30.04 H new ATOM 0 HB2 MET B 657 -8.012 0.683 2.662 1.00 30.40 H new ATOM 0 HB3 MET B 657 -8.543 -0.556 3.782 1.00 30.40 H new ATOM 0 HG2 MET B 657 -6.358 0.201 5.119 1.00 23.41 H new ATOM 0 HG3 MET B 657 -6.586 1.678 4.205 1.00 23.41 H new ATOM 0 HE1 MET B 657 -8.947 3.598 5.300 1.00 23.12 H new ATOM 0 HE2 MET B 657 -8.787 2.637 3.810 1.00 23.12 H new ATOM 0 HE3 MET B 657 -10.242 2.474 4.822 1.00 23.12 H new ATOM 993 N MET B 658 -7.846 -1.340 0.737 1.00 43.22 N ATOM 994 CA MET B 658 -8.545 -2.115 -0.283 1.00 40.30 C ATOM 995 C MET B 658 -7.666 -3.250 -0.800 1.00 43.31 C ATOM 996 O MET B 658 -8.075 -4.412 -0.805 1.00 2.35 O ATOM 997 CB MET B 658 -8.964 -1.210 -1.443 1.00 50.44 C ATOM 998 CG MET B 658 -10.181 -0.353 -1.136 1.00 0.22 C ATOM 999 SD MET B 658 -10.949 0.321 -2.623 1.00 35.14 S ATOM 1000 CE MET B 658 -9.504 0.848 -3.540 1.00 64.22 C ATOM 0 H MET B 658 -7.755 -0.347 0.524 1.00 43.22 H new ATOM 0 HA MET B 658 -9.436 -2.547 0.171 1.00 40.30 H new ATOM 0 HB2 MET B 658 -8.129 -0.560 -1.706 1.00 50.44 H new ATOM 0 HB3 MET B 658 -9.175 -1.827 -2.316 1.00 50.44 H new ATOM 0 HG2 MET B 658 -10.913 -0.950 -0.592 1.00 0.22 H new ATOM 0 HG3 MET B 658 -9.887 0.466 -0.480 1.00 0.22 H new ATOM 0 HE1 MET B 658 -9.756 1.716 -4.149 1.00 64.22 H new ATOM 0 HE2 MET B 658 -8.708 1.112 -2.844 1.00 64.22 H new ATOM 0 HE3 MET B 658 -9.167 0.037 -4.186 1.00 64.22 H new ATOM 1010 N LEU B 659 -6.459 -2.907 -1.234 1.00 51.11 N ATOM 1011 CA LEU B 659 -5.523 -3.898 -1.754 1.00 31.21 C ATOM 1012 C LEU B 659 -5.302 -5.020 -0.745 1.00 14.02 C ATOM 1013 O LEU B 659 -5.388 -6.200 -1.083 1.00 5.01 O ATOM 1014 CB LEU B 659 -4.187 -3.236 -2.097 1.00 1.02 C ATOM 1015 CG LEU B 659 -4.184 -2.335 -3.333 1.00 62.32 C ATOM 1016 CD1 LEU B 659 -2.771 -1.868 -3.648 1.00 65.41 C ATOM 1017 CD2 LEU B 659 -4.785 -3.063 -4.526 1.00 61.34 C ATOM 0 H LEU B 659 -6.105 -1.950 -1.236 1.00 51.11 H new ATOM 0 HA LEU B 659 -5.952 -4.327 -2.659 1.00 31.21 H new ATOM 0 HB2 LEU B 659 -3.866 -2.644 -1.240 1.00 1.02 H new ATOM 0 HB3 LEU B 659 -3.442 -4.019 -2.240 1.00 1.02 H new ATOM 0 HG LEU B 659 -4.797 -1.459 -3.122 1.00 62.32 H new ATOM 0 HD11 LEU B 659 -2.787 -1.228 -4.530 1.00 65.41 H new ATOM 0 HD12 LEU B 659 -2.376 -1.308 -2.801 1.00 65.41 H new ATOM 0 HD13 LEU B 659 -2.136 -2.733 -3.839 1.00 65.41 H new ATOM 0 HD21 LEU B 659 -4.774 -2.406 -5.396 1.00 61.34 H new ATOM 0 HD22 LEU B 659 -4.199 -3.957 -4.739 1.00 61.34 H new ATOM 0 HD23 LEU B 659 -5.812 -3.348 -4.299 1.00 61.34 H new ATOM 1029 N GLY B 660 -5.018 -4.643 0.499 1.00 52.31 N ATOM 1030 CA GLY B 660 -4.791 -5.629 1.539 1.00 42.43 C ATOM 1031 C GLY B 660 -6.001 -6.512 1.774 1.00 55.42 C ATOM 1032 O GLY B 660 -5.895 -7.738 1.760 1.00 12.50 O ATOM 0 H GLY B 660 -4.941 -3.673 0.804 1.00 52.31 H new ATOM 0 HA2 GLY B 660 -3.939 -6.251 1.266 1.00 42.43 H new ATOM 0 HA3 GLY B 660 -4.530 -5.120 2.467 1.00 42.43 H new ATOM 1036 N GLY B 661 -7.154 -5.888 1.994 1.00 43.05 N ATOM 1037 CA GLY B 661 -8.371 -6.641 2.232 1.00 1.14 C ATOM 1038 C GLY B 661 -8.815 -7.427 1.014 1.00 55.42 C ATOM 1039 O GLY B 661 -9.412 -8.498 1.140 1.00 34.53 O ATOM 0 H GLY B 661 -7.267 -4.874 2.012 1.00 43.05 H new ATOM 0 HA2 GLY B 661 -8.213 -7.326 3.065 1.00 1.14 H new ATOM 0 HA3 GLY B 661 -9.166 -5.957 2.528 1.00 1.14 H new ATOM 1043 N THR B 662 -8.524 -6.897 -0.169 1.00 62.12 N ATOM 1044 CA THR B 662 -8.898 -7.555 -1.414 1.00 1.42 C ATOM 1045 C THR B 662 -8.009 -8.763 -1.688 1.00 35.13 C ATOM 1046 O THR B 662 -8.499 -9.867 -1.926 1.00 32.13 O ATOM 1047 CB THR B 662 -8.812 -6.586 -2.610 1.00 55.51 C ATOM 1048 OG1 THR B 662 -9.795 -5.555 -2.476 1.00 35.23 O ATOM 1049 CG2 THR B 662 -9.022 -7.327 -3.922 1.00 33.42 C ATOM 0 H THR B 662 -8.030 -6.013 -0.291 1.00 62.12 H new ATOM 0 HA THR B 662 -9.930 -7.887 -1.298 1.00 1.42 H new ATOM 0 HB THR B 662 -7.817 -6.140 -2.618 1.00 55.51 H new ATOM 0 HG1 THR B 662 -9.469 -4.871 -1.855 1.00 35.23 H new ATOM 0 HG21 THR B 662 -8.957 -6.623 -4.752 1.00 33.42 H new ATOM 0 HG22 THR B 662 -8.254 -8.092 -4.034 1.00 33.42 H new ATOM 0 HG23 THR B 662 -10.005 -7.797 -3.921 1.00 33.42 H new ATOM 1057 N PHE B 663 -6.698 -8.546 -1.651 1.00 32.23 N ATOM 1058 CA PHE B 663 -5.739 -9.617 -1.896 1.00 10.01 C ATOM 1059 C PHE B 663 -5.983 -10.792 -0.952 1.00 32.24 C ATOM 1060 O PHE B 663 -6.175 -11.926 -1.391 1.00 51.24 O ATOM 1061 CB PHE B 663 -4.310 -9.100 -1.724 1.00 70.55 C ATOM 1062 CG PHE B 663 -3.324 -9.741 -2.659 1.00 24.44 C ATOM 1063 CD1 PHE B 663 -3.209 -11.119 -2.727 1.00 74.33 C ATOM 1064 CD2 PHE B 663 -2.514 -8.964 -3.472 1.00 22.42 C ATOM 1065 CE1 PHE B 663 -2.302 -11.711 -3.587 1.00 34.14 C ATOM 1066 CE2 PHE B 663 -1.606 -9.550 -4.334 1.00 21.20 C ATOM 1067 CZ PHE B 663 -1.501 -10.925 -4.392 1.00 74.13 C ATOM 0 H PHE B 663 -6.276 -7.639 -1.454 1.00 32.23 H new ATOM 0 HA PHE B 663 -5.872 -9.963 -2.921 1.00 10.01 H new ATOM 0 HB2 PHE B 663 -4.301 -8.022 -1.882 1.00 70.55 H new ATOM 0 HB3 PHE B 663 -3.990 -9.274 -0.697 1.00 70.55 H new ATOM 0 HD1 PHE B 663 -3.835 -11.739 -2.102 1.00 74.33 H new ATOM 0 HD2 PHE B 663 -2.593 -7.888 -3.432 1.00 22.42 H new ATOM 0 HE1 PHE B 663 -2.220 -12.787 -3.629 1.00 34.14 H new ATOM 0 HE2 PHE B 663 -0.980 -8.933 -4.961 1.00 21.20 H new ATOM 0 HZ PHE B 663 -0.794 -11.386 -5.066 1.00 74.13 H new ATOM 1077 N LEU B 664 -5.974 -10.511 0.346 1.00 22.04 N ATOM 1078 CA LEU B 664 -6.195 -11.542 1.354 1.00 74.04 C ATOM 1079 C LEU B 664 -7.533 -12.240 1.135 1.00 71.43 C ATOM 1080 O LEU B 664 -7.610 -13.469 1.131 1.00 51.14 O ATOM 1081 CB LEU B 664 -6.148 -10.932 2.756 1.00 60.01 C ATOM 1082 CG LEU B 664 -4.806 -10.337 3.185 1.00 42.13 C ATOM 1083 CD1 LEU B 664 -4.792 -10.077 4.683 1.00 60.25 C ATOM 1084 CD2 LEU B 664 -3.663 -11.261 2.791 1.00 44.13 C ATOM 0 H LEU B 664 -5.816 -9.578 0.726 1.00 22.04 H new ATOM 0 HA LEU B 664 -5.401 -12.282 1.260 1.00 74.04 H new ATOM 0 HB2 LEU B 664 -6.905 -10.150 2.816 1.00 60.01 H new ATOM 0 HB3 LEU B 664 -6.428 -11.702 3.475 1.00 60.01 H new ATOM 0 HG LEU B 664 -4.671 -9.385 2.671 1.00 42.13 H new ATOM 0 HD11 LEU B 664 -3.829 -9.654 4.970 1.00 60.25 H new ATOM 0 HD12 LEU B 664 -5.587 -9.376 4.938 1.00 60.25 H new ATOM 0 HD13 LEU B 664 -4.950 -11.014 5.216 1.00 60.25 H new ATOM 0 HD21 LEU B 664 -2.716 -10.822 3.104 1.00 44.13 H new ATOM 0 HD22 LEU B 664 -3.793 -12.228 3.277 1.00 44.13 H new ATOM 0 HD23 LEU B 664 -3.661 -11.396 1.709 1.00 44.13 H new ATOM 1096 N TYR B 665 -8.585 -11.449 0.952 1.00 74.55 N ATOM 1097 CA TYR B 665 -9.919 -11.991 0.733 1.00 42.31 C ATOM 1098 C TYR B 665 -9.944 -12.900 -0.493 1.00 42.44 C ATOM 1099 O TYR B 665 -10.466 -14.014 -0.442 1.00 23.31 O ATOM 1100 CB TYR B 665 -10.931 -10.857 0.560 1.00 41.13 C ATOM 1101 CG TYR B 665 -12.245 -11.303 -0.043 1.00 71.41 C ATOM 1102 CD1 TYR B 665 -12.432 -11.307 -1.420 1.00 43.12 C ATOM 1103 CD2 TYR B 665 -13.296 -11.718 0.763 1.00 14.15 C ATOM 1104 CE1 TYR B 665 -13.631 -11.713 -1.976 1.00 74.22 C ATOM 1105 CE2 TYR B 665 -14.497 -12.127 0.216 1.00 13.25 C ATOM 1106 CZ TYR B 665 -14.659 -12.122 -1.153 1.00 43.11 C ATOM 1107 OH TYR B 665 -15.854 -12.527 -1.702 1.00 42.33 O ATOM 0 H TYR B 665 -8.538 -10.430 0.951 1.00 74.55 H new ATOM 0 HA TYR B 665 -10.191 -12.582 1.607 1.00 42.31 H new ATOM 0 HB2 TYR B 665 -11.123 -10.402 1.531 1.00 41.13 H new ATOM 0 HB3 TYR B 665 -10.494 -10.085 -0.073 1.00 41.13 H new ATOM 0 HD1 TYR B 665 -11.628 -10.988 -2.066 1.00 43.12 H new ATOM 0 HD2 TYR B 665 -13.173 -11.721 1.836 1.00 14.15 H new ATOM 0 HE1 TYR B 665 -13.762 -11.710 -3.048 1.00 74.22 H new ATOM 0 HE2 TYR B 665 -15.304 -12.449 0.857 1.00 13.25 H new ATOM 0 HH TYR B 665 -16.472 -12.784 -0.986 1.00 42.33 H new ATOM 1117 N TRP B 666 -9.376 -12.416 -1.591 1.00 70.30 N ATOM 1118 CA TRP B 666 -9.332 -13.184 -2.830 1.00 71.25 C ATOM 1119 C TRP B 666 -8.604 -14.509 -2.624 1.00 10.43 C ATOM 1120 O TRP B 666 -9.125 -15.572 -2.961 1.00 23.32 O ATOM 1121 CB TRP B 666 -8.642 -12.376 -3.931 1.00 50.21 C ATOM 1122 CG TRP B 666 -9.264 -12.563 -5.282 1.00 73.44 C ATOM 1123 CD1 TRP B 666 -10.331 -11.884 -5.794 1.00 44.40 C ATOM 1124 CD2 TRP B 666 -8.854 -13.492 -6.292 1.00 32.05 C ATOM 1125 NE1 TRP B 666 -10.612 -12.334 -7.062 1.00 61.53 N ATOM 1126 CE2 TRP B 666 -9.720 -13.320 -7.390 1.00 61.45 C ATOM 1127 CE3 TRP B 666 -7.841 -14.450 -6.376 1.00 75.12 C ATOM 1128 CZ2 TRP B 666 -9.600 -14.073 -8.556 1.00 11.24 C ATOM 1129 CZ3 TRP B 666 -7.724 -15.197 -7.533 1.00 10.31 C ATOM 1130 CH2 TRP B 666 -8.599 -15.004 -8.611 1.00 54.14 C ATOM 0 H TRP B 666 -8.940 -11.496 -1.649 1.00 70.30 H new ATOM 0 HA TRP B 666 -10.357 -13.397 -3.133 1.00 71.25 H new ATOM 0 HB2 TRP B 666 -8.671 -11.318 -3.668 1.00 50.21 H new ATOM 0 HB3 TRP B 666 -7.592 -12.664 -3.979 1.00 50.21 H new ATOM 0 HD1 TRP B 666 -10.875 -11.107 -5.278 1.00 44.40 H new ATOM 0 HE1 TRP B 666 -11.362 -11.990 -7.661 1.00 61.53 H new ATOM 0 HE3 TRP B 666 -7.161 -14.604 -5.551 1.00 75.12 H new ATOM 0 HZ2 TRP B 666 -10.274 -13.927 -9.387 1.00 11.24 H new ATOM 0 HZ3 TRP B 666 -6.945 -15.942 -7.608 1.00 10.31 H new ATOM 0 HH2 TRP B 666 -8.481 -15.602 -9.503 1.00 54.14 H new ATOM 1141 N ARG B 667 -7.399 -14.437 -2.069 1.00 14.14 N ATOM 1142 CA ARG B 667 -6.601 -15.630 -1.818 1.00 52.03 C ATOM 1143 C ARG B 667 -7.376 -16.636 -0.972 1.00 10.12 C ATOM 1144 O ARG B 667 -7.184 -17.845 -1.095 1.00 50.20 O ATOM 1145 CB ARG B 667 -5.293 -15.258 -1.116 1.00 5.42 C ATOM 1146 CG ARG B 667 -4.144 -14.988 -2.073 1.00 70.12 C ATOM 1147 CD ARG B 667 -2.859 -14.669 -1.325 1.00 71.32 C ATOM 1148 NE ARG B 667 -2.434 -15.775 -0.470 1.00 21.33 N ATOM 1149 CZ ARG B 667 -1.189 -15.931 -0.036 1.00 51.50 C ATOM 1150 NH1 ARG B 667 -0.251 -15.056 -0.372 1.00 43.24 N ATOM 1151 NH2 ARG B 667 -0.880 -16.964 0.739 1.00 23.23 N ATOM 0 H ARG B 667 -6.954 -13.564 -1.785 1.00 14.14 H new ATOM 0 HA ARG B 667 -6.371 -16.090 -2.779 1.00 52.03 H new ATOM 0 HB2 ARG B 667 -5.459 -14.373 -0.502 1.00 5.42 H new ATOM 0 HB3 ARG B 667 -5.010 -16.066 -0.441 1.00 5.42 H new ATOM 0 HG2 ARG B 667 -3.988 -15.858 -2.711 1.00 70.12 H new ATOM 0 HG3 ARG B 667 -4.402 -14.155 -2.727 1.00 70.12 H new ATOM 0 HD2 ARG B 667 -2.070 -14.441 -2.041 1.00 71.32 H new ATOM 0 HD3 ARG B 667 -3.006 -13.776 -0.717 1.00 71.32 H new ATOM 0 HE ARG B 667 -3.132 -16.465 -0.191 1.00 21.33 H new ATOM 0 HH11 ARG B 667 -0.485 -14.260 -0.966 1.00 43.24 H new ATOM 0 HH12 ARG B 667 0.705 -15.179 -0.037 1.00 43.24 H new ATOM 0 HH21 ARG B 667 -1.599 -17.638 1.001 1.00 23.23 H new ATOM 0 HH22 ARG B 667 0.077 -17.083 1.072 1.00 23.23 H new ATOM 1165 N GLY B 668 -8.253 -16.127 -0.112 1.00 65.11 N ATOM 1166 CA GLY B 668 -9.044 -16.993 0.742 1.00 4.12 C ATOM 1167 C GLY B 668 -10.246 -17.576 0.024 1.00 65.33 C ATOM 1168 O GLY B 668 -10.398 -18.795 -0.055 1.00 5.42 O ATOM 0 H GLY B 668 -8.430 -15.130 0.008 1.00 65.11 H new ATOM 0 HA2 GLY B 668 -8.417 -17.804 1.112 1.00 4.12 H new ATOM 0 HA3 GLY B 668 -9.382 -16.430 1.612 1.00 4.12 H new ATOM 1172 N ARG B 669 -11.101 -16.703 -0.500 1.00 53.34 N ATOM 1173 CA ARG B 669 -12.296 -17.138 -1.211 1.00 5.12 C ATOM 1174 C ARG B 669 -11.947 -18.171 -2.280 1.00 31.23 C ATOM 1175 O ARG B 669 -12.747 -19.055 -2.587 1.00 31.41 O ATOM 1176 CB ARG B 669 -12.996 -15.940 -1.856 1.00 34.03 C ATOM 1177 CG ARG B 669 -12.389 -15.521 -3.184 1.00 41.23 C ATOM 1178 CD ARG B 669 -13.141 -14.349 -3.796 1.00 44.34 C ATOM 1179 NE ARG B 669 -13.760 -14.702 -5.071 1.00 73.42 N ATOM 1180 CZ ARG B 669 -14.118 -13.807 -5.986 1.00 71.15 C ATOM 1181 NH1 ARG B 669 -13.920 -12.515 -5.767 1.00 62.21 N ATOM 1182 NH2 ARG B 669 -14.674 -14.206 -7.122 1.00 2.25 N ATOM 0 H ARG B 669 -10.988 -15.691 -0.445 1.00 53.34 H new ATOM 0 HA ARG B 669 -12.970 -17.599 -0.489 1.00 5.12 H new ATOM 0 HB2 ARG B 669 -14.048 -16.183 -2.008 1.00 34.03 H new ATOM 0 HB3 ARG B 669 -12.960 -15.096 -1.168 1.00 34.03 H new ATOM 0 HG2 ARG B 669 -11.344 -15.247 -3.037 1.00 41.23 H new ATOM 0 HG3 ARG B 669 -12.404 -16.364 -3.874 1.00 41.23 H new ATOM 0 HD2 ARG B 669 -13.909 -14.009 -3.102 1.00 44.34 H new ATOM 0 HD3 ARG B 669 -12.454 -13.516 -3.945 1.00 44.34 H new ATOM 0 HE ARG B 669 -13.926 -15.688 -5.270 1.00 73.42 H new ATOM 0 HH11 ARG B 669 -13.492 -12.205 -4.895 1.00 62.21 H new ATOM 0 HH12 ARG B 669 -14.196 -11.830 -6.471 1.00 62.21 H new ATOM 0 HH21 ARG B 669 -14.827 -15.200 -7.293 1.00 2.25 H new ATOM 0 HH22 ARG B 669 -14.949 -13.519 -7.824 1.00 2.25 H new ATOM 1196 N ARG B 670 -10.749 -18.052 -2.841 1.00 54.13 N ATOM 1197 CA ARG B 670 -10.294 -18.973 -3.875 1.00 1.40 C ATOM 1198 C ARG B 670 -9.550 -20.155 -3.262 1.00 72.33 C ATOM 1199 O ARG B 670 -9.921 -21.311 -3.466 1.00 51.12 O ATOM 1200 CB ARG B 670 -9.390 -18.249 -4.873 1.00 34.32 C ATOM 1201 CG ARG B 670 -10.073 -17.095 -5.588 1.00 22.35 C ATOM 1202 CD ARG B 670 -10.157 -17.339 -7.086 1.00 4.42 C ATOM 1203 NE ARG B 670 -10.943 -18.528 -7.404 1.00 2.23 N ATOM 1204 CZ ARG B 670 -11.204 -18.929 -8.643 1.00 25.43 C ATOM 1205 NH1 ARG B 670 -10.742 -18.238 -9.677 1.00 3.35 N ATOM 1206 NH2 ARG B 670 -11.927 -20.021 -8.851 1.00 52.41 N ATOM 0 H ARG B 670 -10.075 -17.326 -2.597 1.00 54.13 H new ATOM 0 HA ARG B 670 -11.171 -19.351 -4.400 1.00 1.40 H new ATOM 0 HB2 ARG B 670 -8.513 -17.872 -4.348 1.00 34.32 H new ATOM 0 HB3 ARG B 670 -9.035 -18.965 -5.614 1.00 34.32 H new ATOM 0 HG2 ARG B 670 -11.076 -16.958 -5.184 1.00 22.35 H new ATOM 0 HG3 ARG B 670 -9.524 -16.172 -5.399 1.00 22.35 H new ATOM 0 HD2 ARG B 670 -10.602 -16.470 -7.570 1.00 4.42 H new ATOM 0 HD3 ARG B 670 -9.152 -17.450 -7.492 1.00 4.42 H new ATOM 0 HE ARG B 670 -11.312 -19.082 -6.631 1.00 2.23 H new ATOM 0 HH11 ARG B 670 -10.186 -17.398 -9.521 1.00 3.35 H new ATOM 0 HH12 ARG B 670 -10.943 -18.547 -10.628 1.00 3.35 H new ATOM 0 HH21 ARG B 670 -12.284 -20.555 -8.059 1.00 52.41 H new ATOM 0 HH22 ARG B 670 -12.126 -20.327 -9.803 1.00 52.41 H new ATOM 1220 N HIS B 671 -8.495 -19.858 -2.509 1.00 24.33 N ATOM 1221 CA HIS B 671 -7.697 -20.894 -1.866 1.00 54.30 C ATOM 1222 C HIS B 671 -7.275 -21.959 -2.874 1.00 75.41 C ATOM 1223 O HIS B 671 -7.438 -23.156 -2.635 1.00 34.42 O ATOM 1224 CB HIS B 671 -8.486 -21.541 -0.726 1.00 73.12 C ATOM 1225 CG HIS B 671 -7.655 -22.426 0.151 1.00 70.12 C ATOM 1226 ND1 HIS B 671 -8.156 -23.545 0.781 1.00 14.43 N ATOM 1227 CD2 HIS B 671 -6.349 -22.353 0.500 1.00 32.35 C ATOM 1228 CE1 HIS B 671 -7.195 -24.121 1.482 1.00 5.13 C ATOM 1229 NE2 HIS B 671 -6.088 -23.417 1.328 1.00 4.40 N ATOM 0 H HIS B 671 -8.173 -18.907 -2.330 1.00 24.33 H new ATOM 0 HA HIS B 671 -6.800 -20.427 -1.459 1.00 54.30 H new ATOM 0 HB2 HIS B 671 -8.935 -20.758 -0.116 1.00 73.12 H new ATOM 0 HB3 HIS B 671 -9.304 -22.126 -1.147 1.00 73.12 H new ATOM 0 HD2 HIS B 671 -5.643 -21.598 0.186 1.00 32.35 H new ATOM 0 HE1 HIS B 671 -7.297 -25.015 2.079 1.00 5.13 H new ATOM 0 HE2 HIS B 671 -5.186 -23.629 1.755 1.00 4.40 H new ATOM 1237 N HIS B 672 -6.730 -21.514 -4.002 1.00 1.32 N ATOM 1238 CA HIS B 672 -6.284 -22.428 -5.047 1.00 54.14 C ATOM 1239 C HIS B 672 -4.827 -22.162 -5.416 1.00 64.23 C ATOM 1240 O HIS B 672 -4.520 -21.807 -6.554 1.00 23.41 O ATOM 1241 CB HIS B 672 -7.169 -22.292 -6.286 1.00 55.34 C ATOM 1242 CG HIS B 672 -6.878 -23.310 -7.345 1.00 65.41 C ATOM 1243 ND1 HIS B 672 -7.347 -24.605 -7.295 1.00 52.11 N ATOM 1244 CD2 HIS B 672 -6.160 -23.216 -8.490 1.00 73.30 C ATOM 1245 CE1 HIS B 672 -6.930 -25.265 -8.361 1.00 32.15 C ATOM 1246 NE2 HIS B 672 -6.208 -24.444 -9.102 1.00 23.42 N ATOM 0 H HIS B 672 -6.587 -20.527 -4.215 1.00 1.32 H new ATOM 0 HA HIS B 672 -6.364 -23.445 -4.663 1.00 54.14 H new ATOM 0 HB2 HIS B 672 -8.214 -22.379 -5.987 1.00 55.34 H new ATOM 0 HB3 HIS B 672 -7.040 -21.295 -6.707 1.00 55.34 H new ATOM 0 HD2 HIS B 672 -5.646 -22.339 -8.854 1.00 73.30 H new ATOM 0 HE1 HIS B 672 -7.143 -26.299 -8.588 1.00 32.15 H new ATOM 0 HE2 HIS B 672 -5.759 -24.684 -9.986 1.00 23.42 H new ATOM 1254 N HIS B 673 -3.934 -22.334 -4.447 1.00 41.41 N ATOM 1255 CA HIS B 673 -2.511 -22.112 -4.670 1.00 63.24 C ATOM 1256 C HIS B 673 -1.707 -23.368 -4.346 1.00 43.10 C ATOM 1257 O HIS B 673 -1.004 -23.905 -5.203 1.00 45.12 O ATOM 1258 CB HIS B 673 -2.016 -20.942 -3.818 1.00 64.13 C ATOM 1259 CG HIS B 673 -1.956 -19.643 -4.561 1.00 43.31 C ATOM 1260 ND1 HIS B 673 -0.874 -19.262 -5.324 1.00 65.31 N ATOM 1261 CD2 HIS B 673 -2.855 -18.635 -4.655 1.00 54.21 C ATOM 1262 CE1 HIS B 673 -1.109 -18.075 -5.856 1.00 12.32 C ATOM 1263 NE2 HIS B 673 -2.305 -17.673 -5.464 1.00 1.30 N ATOM 0 H HIS B 673 -4.171 -22.627 -3.499 1.00 41.41 H new ATOM 0 HA HIS B 673 -2.367 -21.872 -5.723 1.00 63.24 H new ATOM 0 HB2 HIS B 673 -2.673 -20.828 -2.956 1.00 64.13 H new ATOM 0 HB3 HIS B 673 -1.024 -21.177 -3.434 1.00 64.13 H new ATOM 0 HD2 HIS B 673 -3.825 -18.596 -4.181 1.00 54.21 H new ATOM 0 HE1 HIS B 673 -0.438 -17.527 -6.501 1.00 12.32 H new ATOM 0 HE2 HIS B 673 -2.748 -16.791 -5.721 1.00 1.30 H new ATOM 1271 N HIS B 674 -1.815 -23.831 -3.106 1.00 0.35 N ATOM 1272 CA HIS B 674 -1.099 -25.024 -2.669 1.00 41.33 C ATOM 1273 C HIS B 674 0.410 -24.816 -2.762 1.00 52.40 C ATOM 1274 O HIS B 674 0.877 -23.821 -3.316 1.00 22.34 O ATOM 1275 CB HIS B 674 -1.512 -26.230 -3.513 1.00 24.41 C ATOM 1276 CG HIS B 674 -1.703 -27.483 -2.716 1.00 13.40 C ATOM 1277 ND1 HIS B 674 -0.709 -28.422 -2.539 1.00 44.15 N ATOM 1278 CD2 HIS B 674 -2.781 -27.948 -2.041 1.00 43.21 C ATOM 1279 CE1 HIS B 674 -1.168 -29.412 -1.795 1.00 21.04 C ATOM 1280 NE2 HIS B 674 -2.423 -29.149 -1.479 1.00 21.44 N ATOM 0 H HIS B 674 -2.392 -23.398 -2.385 1.00 0.35 H new ATOM 0 HA HIS B 674 -1.359 -25.213 -1.627 1.00 41.33 H new ATOM 0 HB2 HIS B 674 -2.440 -25.997 -4.035 1.00 24.41 H new ATOM 0 HB3 HIS B 674 -0.753 -26.406 -4.275 1.00 24.41 H new ATOM 0 HD2 HIS B 674 -3.743 -27.464 -1.960 1.00 43.21 H new ATOM 0 HE1 HIS B 674 -0.612 -30.288 -1.496 1.00 21.04 H new ATOM 0 HE2 HIS B 674 -3.028 -29.741 -0.910 1.00 21.44 H new ATOM 1288 N HIS B 675 1.167 -25.760 -2.214 1.00 50.13 N ATOM 1289 CA HIS B 675 2.624 -25.680 -2.235 1.00 55.32 C ATOM 1290 C HIS B 675 3.246 -27.067 -2.093 1.00 21.13 C ATOM 1291 O HIS B 675 3.347 -27.603 -0.989 1.00 42.21 O ATOM 1292 CB HIS B 675 3.121 -24.768 -1.113 1.00 73.55 C ATOM 1293 CG HIS B 675 4.473 -24.179 -1.376 1.00 13.24 C ATOM 1294 ND1 HIS B 675 4.715 -23.273 -2.386 1.00 61.43 N ATOM 1295 CD2 HIS B 675 5.658 -24.369 -0.751 1.00 41.24 C ATOM 1296 CE1 HIS B 675 5.992 -22.933 -2.374 1.00 13.15 C ATOM 1297 NE2 HIS B 675 6.586 -23.584 -1.390 1.00 3.31 N ATOM 0 H HIS B 675 0.797 -26.589 -1.750 1.00 50.13 H new ATOM 0 HA HIS B 675 2.927 -25.262 -3.195 1.00 55.32 H new ATOM 0 HB2 HIS B 675 2.404 -23.960 -0.968 1.00 73.55 H new ATOM 0 HB3 HIS B 675 3.155 -25.335 -0.183 1.00 73.55 H new ATOM 0 HD2 HIS B 675 5.840 -25.017 0.093 1.00 41.24 H new ATOM 0 HE1 HIS B 675 6.469 -22.241 -3.053 1.00 13.15 H new ATOM 0 HE2 HIS B 675 7.574 -23.515 -1.145 1.00 3.31 H new ATOM 1305 N HIS B 676 3.661 -27.641 -3.218 1.00 74.44 N ATOM 1306 CA HIS B 676 4.274 -28.965 -3.218 1.00 64.51 C ATOM 1307 C HIS B 676 5.796 -28.859 -3.197 1.00 53.20 C ATOM 1308 O HIS B 676 6.498 -29.870 -3.233 1.00 44.35 O ATOM 1309 CB HIS B 676 3.823 -29.757 -4.445 1.00 45.23 C ATOM 1310 CG HIS B 676 3.426 -31.168 -4.135 1.00 11.05 C ATOM 1311 ND1 HIS B 676 4.332 -32.147 -3.791 1.00 34.53 N ATOM 1312 CD2 HIS B 676 2.209 -31.761 -4.117 1.00 23.34 C ATOM 1313 CE1 HIS B 676 3.692 -33.282 -3.575 1.00 44.32 C ATOM 1314 NE2 HIS B 676 2.401 -33.074 -3.766 1.00 23.11 N ATOM 0 H HIS B 676 3.584 -27.211 -4.140 1.00 74.44 H new ATOM 0 HA HIS B 676 3.952 -29.488 -2.318 1.00 64.51 H new ATOM 0 HB2 HIS B 676 2.980 -29.245 -4.908 1.00 45.23 H new ATOM 0 HB3 HIS B 676 4.631 -29.768 -5.177 1.00 45.23 H new ATOM 0 HD2 HIS B 676 1.263 -31.289 -4.338 1.00 23.34 H new ATOM 0 HE1 HIS B 676 4.146 -34.220 -3.291 1.00 44.32 H new ATOM 0 HE2 HIS B 676 1.667 -33.775 -3.668 1.00 23.11 H new TER 1322 HIS B 676