USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=15 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 180:sc= 0 (180deg=0) USER MOD Single : A 640 THR OG1 : rot 180:sc= 0 USER MOD Single : A 641 HIS :FLIP no HD1:sc= -0.113 F(o=-1,f=-0.11) USER MOD Single : A 643 THR OG1 : rot 85:sc= 0.349 USER MOD Single : A 644 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 647 THR OG1 : rot 69:sc= 0.533 USER MOD Single : A 657 MET CE :methyl -114:sc= -0.312 (180deg=-4.02!) USER MOD Single : A 658 MET CE :methyl -148:sc= -1.69 (180deg=-3.63!) USER MOD Single : A 662 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 671 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 672 HIS : no HD1:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 673 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 674 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.0033) USER MOD Single : A 675 HIS : no HD1:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 676 HIS : no HD1:sc= -0.0901 X(o=-0.09,f=-0.3) 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 X(o=0,f=0) 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 69:sc= 0.472 USER MOD Single : B 657 MET CE :methyl -113:sc= -0.273 (180deg=-3.94!) USER MOD Single : B 658 MET CE :methyl -148:sc= -1.71 (180deg=-3.52!) USER MOD Single : B 662 THR OG1 : rot 79:sc= 1.18 USER MOD Single : B 665 TYR OH : rot 180:sc= 0.12 USER MOD Single : B 671 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : B 672 HIS : no HD1:sc= -0.162 K(o=-0.16,f=-1.6) USER MOD Single : B 673 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : B 674 HIS : no HD1:sc=-0.00647 X(o=-0.0065,f=-0.0089) USER MOD Single : B 675 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : B 676 HIS : no HD1:sc= 0 X(o=0,f=-0.096) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 637 -0.095 26.566 13.399 1.00 31.02 N ATOM 2 CA MET A 637 0.376 25.735 12.297 1.00 64.43 C ATOM 3 C MET A 637 0.751 26.592 11.092 1.00 33.43 C ATOM 4 O MET A 637 0.316 27.737 10.973 1.00 21.20 O ATOM 5 CB MET A 637 -0.698 24.720 11.900 1.00 75.14 C ATOM 6 CG MET A 637 -2.002 25.358 11.452 1.00 53.32 C ATOM 7 SD MET A 637 -3.151 25.622 12.818 1.00 20.40 S ATOM 8 CE MET A 637 -4.709 25.220 12.032 1.00 60.01 C ATOM 0 HA MET A 637 1.265 25.201 12.632 1.00 64.43 H new ATOM 0 HB2 MET A 637 -0.314 24.094 11.095 1.00 75.14 H new ATOM 0 HB3 MET A 637 -0.897 24.064 12.747 1.00 75.14 H new ATOM 0 HG2 MET A 637 -1.789 26.313 10.972 1.00 53.32 H new ATOM 0 HG3 MET A 637 -2.474 24.723 10.703 1.00 53.32 H new ATOM 0 HE1 MET A 637 -5.520 25.336 12.751 1.00 60.01 H new ATOM 0 HE2 MET A 637 -4.874 25.890 11.188 1.00 60.01 H new ATOM 0 HE3 MET A 637 -4.683 24.189 11.678 1.00 60.01 H new ATOM 18 N GLY A 638 1.563 26.030 10.201 1.00 52.52 N ATOM 19 CA GLY A 638 1.983 26.757 9.017 1.00 33.15 C ATOM 20 C GLY A 638 3.095 26.051 8.268 1.00 45.25 C ATOM 21 O GLY A 638 2.848 25.387 7.261 1.00 41.13 O ATOM 0 H GLY A 638 1.937 25.084 10.278 1.00 52.52 H new ATOM 0 HA2 GLY A 638 1.129 26.889 8.353 1.00 33.15 H new ATOM 0 HA3 GLY A 638 2.319 27.753 9.306 1.00 33.15 H new ATOM 25 N ARG A 639 4.322 26.195 8.757 1.00 23.33 N ATOM 26 CA ARG A 639 5.476 25.568 8.123 1.00 4.23 C ATOM 27 C ARG A 639 6.010 24.424 8.979 1.00 5.40 C ATOM 28 O ARG A 639 7.123 23.942 8.766 1.00 14.31 O ATOM 29 CB ARG A 639 6.579 26.601 7.888 1.00 64.30 C ATOM 30 CG ARG A 639 7.422 26.321 6.655 1.00 25.44 C ATOM 31 CD ARG A 639 6.596 26.419 5.381 1.00 0.03 C ATOM 32 NE ARG A 639 6.881 25.324 4.459 1.00 5.22 N ATOM 33 CZ ARG A 639 6.592 25.360 3.162 1.00 22.11 C ATOM 34 NH1 ARG A 639 6.013 26.432 2.638 1.00 34.32 N ATOM 35 NH2 ARG A 639 6.882 24.324 2.387 1.00 52.23 N ATOM 0 H ARG A 639 4.543 26.740 9.590 1.00 23.33 H new ATOM 0 HA ARG A 639 5.157 25.163 7.163 1.00 4.23 H new ATOM 0 HB2 ARG A 639 6.126 27.588 7.792 1.00 64.30 H new ATOM 0 HB3 ARG A 639 7.229 26.632 8.763 1.00 64.30 H new ATOM 0 HG2 ARG A 639 8.249 27.030 6.609 1.00 25.44 H new ATOM 0 HG3 ARG A 639 7.860 25.326 6.731 1.00 25.44 H new ATOM 0 HD2 ARG A 639 5.536 26.413 5.635 1.00 0.03 H new ATOM 0 HD3 ARG A 639 6.800 27.370 4.889 1.00 0.03 H new ATOM 0 HE ARG A 639 7.326 24.485 4.830 1.00 5.22 H new ATOM 0 HH11 ARG A 639 5.788 27.231 3.231 1.00 34.32 H new ATOM 0 HH12 ARG A 639 5.792 26.457 1.642 1.00 34.32 H new ATOM 0 HH21 ARG A 639 7.328 23.498 2.786 1.00 52.23 H new ATOM 0 HH22 ARG A 639 6.660 24.353 1.392 1.00 52.23 H new ATOM 49 N THR A 640 5.208 23.992 9.948 1.00 60.40 N ATOM 50 CA THR A 640 5.601 22.905 10.837 1.00 25.24 C ATOM 51 C THR A 640 4.701 21.690 10.649 1.00 62.11 C ATOM 52 O THR A 640 5.159 20.549 10.721 1.00 50.31 O ATOM 53 CB THR A 640 5.552 23.342 12.313 1.00 1.03 C ATOM 54 OG1 THR A 640 6.389 24.487 12.514 1.00 64.21 O ATOM 55 CG2 THR A 640 6.002 22.213 13.227 1.00 71.11 C ATOM 0 H THR A 640 4.283 24.378 10.137 1.00 60.40 H new ATOM 0 HA THR A 640 6.626 22.639 10.578 1.00 25.24 H new ATOM 0 HB THR A 640 4.521 23.598 12.558 1.00 1.03 H new ATOM 0 HG1 THR A 640 6.351 24.759 13.455 1.00 64.21 H new ATOM 0 HG21 THR A 640 5.959 22.545 14.264 1.00 71.11 H new ATOM 0 HG22 THR A 640 5.345 21.353 13.094 1.00 71.11 H new ATOM 0 HG23 THR A 640 7.025 21.930 12.979 1.00 71.11 H new ATOM 63 N HIS A 641 3.419 21.940 10.406 1.00 3.14 N ATOM 64 CA HIS A 641 2.454 20.864 10.206 1.00 62.02 C ATOM 65 C HIS A 641 2.792 20.057 8.956 1.00 61.30 C ATOM 66 O HIS A 641 2.250 18.973 8.738 1.00 2.50 O ATOM 67 CB HIS A 641 1.039 21.433 10.092 1.00 41.15 C ATOM 68 CG HIS A 641 0.756 22.077 8.770 1.00 62.43 C ATOM 69 ND1 HIS A 641 1.155 23.267 8.261 1.00 22.52 N flip ATOM 70 CD2 HIS A 641 -0.025 21.489 7.798 1.00 74.45 C flip ATOM 71 CE1 HIS A 641 0.615 23.374 7.004 1.00 63.22 C flip ATOM 72 NE2 HIS A 641 -0.094 22.289 6.749 1.00 11.44 N flip ATOM 0 H HIS A 641 3.024 22.878 10.343 1.00 3.14 H new ATOM 0 HA HIS A 641 2.502 20.201 11.070 1.00 62.02 H new ATOM 0 HB2 HIS A 641 0.320 20.631 10.257 1.00 41.15 H new ATOM 0 HB3 HIS A 641 0.886 22.166 10.884 1.00 41.15 H new ATOM 0 HD2 HIS A 641 -0.505 20.525 7.881 1.00 74.45 H new ATOM 0 HE1 HIS A 641 0.748 24.209 6.332 1.00 63.22 H new ATOM 0 HE2 HIS A 641 -0.608 22.101 5.888 1.00 11.44 H new ATOM 80 N LEU A 642 3.690 20.593 8.137 1.00 24.00 N ATOM 81 CA LEU A 642 4.100 19.923 6.907 1.00 73.23 C ATOM 82 C LEU A 642 4.940 18.688 7.215 1.00 41.24 C ATOM 83 O LEU A 642 4.897 17.695 6.486 1.00 20.25 O ATOM 84 CB LEU A 642 4.892 20.883 6.019 1.00 32.44 C ATOM 85 CG LEU A 642 4.064 21.820 5.138 1.00 61.22 C ATOM 86 CD1 LEU A 642 4.847 23.085 4.821 1.00 50.20 C ATOM 87 CD2 LEU A 642 3.645 21.114 3.856 1.00 34.54 C ATOM 0 H LEU A 642 4.148 21.489 8.302 1.00 24.00 H new ATOM 0 HA LEU A 642 3.201 19.607 6.378 1.00 73.23 H new ATOM 0 HB2 LEU A 642 5.535 21.490 6.657 1.00 32.44 H new ATOM 0 HB3 LEU A 642 5.546 20.295 5.375 1.00 32.44 H new ATOM 0 HG LEU A 642 3.164 22.102 5.685 1.00 61.22 H new ATOM 0 HD11 LEU A 642 4.242 23.740 4.193 1.00 50.20 H new ATOM 0 HD12 LEU A 642 5.097 23.600 5.748 1.00 50.20 H new ATOM 0 HD13 LEU A 642 5.764 22.823 4.294 1.00 50.20 H new ATOM 0 HD21 LEU A 642 3.057 21.795 3.241 1.00 34.54 H new ATOM 0 HD22 LEU A 642 4.533 20.803 3.305 1.00 34.54 H new ATOM 0 HD23 LEU A 642 3.045 20.238 4.102 1.00 34.54 H new ATOM 99 N THR A 643 5.704 18.753 8.300 1.00 54.32 N ATOM 100 CA THR A 643 6.553 17.639 8.706 1.00 73.00 C ATOM 101 C THR A 643 5.726 16.388 8.978 1.00 34.31 C ATOM 102 O THR A 643 5.986 15.326 8.413 1.00 33.12 O ATOM 103 CB THR A 643 7.371 17.986 9.964 1.00 55.52 C ATOM 104 OG1 THR A 643 7.797 19.351 9.911 1.00 74.40 O ATOM 105 CG2 THR A 643 8.582 17.074 10.091 1.00 33.31 C ATOM 0 H THR A 643 5.753 19.566 8.914 1.00 54.32 H new ATOM 0 HA THR A 643 7.237 17.445 7.880 1.00 73.00 H new ATOM 0 HB THR A 643 6.734 17.840 10.836 1.00 55.52 H new ATOM 0 HG1 THR A 643 7.086 19.929 10.258 1.00 74.40 H new ATOM 0 HG21 THR A 643 9.144 17.338 10.987 1.00 33.31 H new ATOM 0 HG22 THR A 643 8.251 16.038 10.163 1.00 33.31 H new ATOM 0 HG23 THR A 643 9.220 17.192 9.215 1.00 33.31 H new ATOM 113 N MET A 644 4.730 16.521 9.848 1.00 52.21 N ATOM 114 CA MET A 644 3.864 15.400 10.193 1.00 52.43 C ATOM 115 C MET A 644 3.075 14.926 8.977 1.00 10.44 C ATOM 116 O MET A 644 3.031 13.734 8.679 1.00 55.25 O ATOM 117 CB MET A 644 2.903 15.797 11.316 1.00 60.13 C ATOM 118 CG MET A 644 3.594 16.046 12.647 1.00 4.00 C ATOM 119 SD MET A 644 2.440 16.083 14.032 1.00 72.00 S ATOM 120 CE MET A 644 1.852 17.771 13.938 1.00 32.25 C ATOM 0 H MET A 644 4.503 17.393 10.326 1.00 52.21 H new ATOM 0 HA MET A 644 4.494 14.580 10.536 1.00 52.43 H new ATOM 0 HB2 MET A 644 2.365 16.698 11.021 1.00 60.13 H new ATOM 0 HB3 MET A 644 2.160 15.009 11.443 1.00 60.13 H new ATOM 0 HG2 MET A 644 4.336 15.266 12.818 1.00 4.00 H new ATOM 0 HG3 MET A 644 4.131 16.993 12.601 1.00 4.00 H new ATOM 0 HE1 MET A 644 1.128 17.949 14.733 1.00 32.25 H new ATOM 0 HE2 MET A 644 2.692 18.456 14.053 1.00 32.25 H new ATOM 0 HE3 MET A 644 1.377 17.938 12.971 1.00 32.25 H new ATOM 130 N ALA A 645 2.452 15.870 8.278 1.00 62.14 N ATOM 131 CA ALA A 645 1.667 15.549 7.092 1.00 52.12 C ATOM 132 C ALA A 645 2.519 14.843 6.043 1.00 11.11 C ATOM 133 O ALA A 645 2.075 13.884 5.410 1.00 0.50 O ATOM 134 CB ALA A 645 1.050 16.813 6.511 1.00 43.13 C ATOM 0 H ALA A 645 2.476 16.862 8.513 1.00 62.14 H new ATOM 0 HA ALA A 645 0.868 14.870 7.388 1.00 52.12 H new ATOM 0 HB1 ALA A 645 0.467 16.559 5.626 1.00 43.13 H new ATOM 0 HB2 ALA A 645 0.400 17.275 7.254 1.00 43.13 H new ATOM 0 HB3 ALA A 645 1.841 17.511 6.236 1.00 43.13 H new ATOM 140 N LEU A 646 3.745 15.322 5.863 1.00 25.23 N ATOM 141 CA LEU A 646 4.660 14.736 4.890 1.00 22.14 C ATOM 142 C LEU A 646 4.955 13.279 5.228 1.00 40.24 C ATOM 143 O LEU A 646 4.969 12.416 4.349 1.00 42.02 O ATOM 144 CB LEU A 646 5.964 15.534 4.841 1.00 25.22 C ATOM 145 CG LEU A 646 5.976 16.745 3.906 1.00 1.42 C ATOM 146 CD1 LEU A 646 6.931 17.809 4.423 1.00 12.20 C ATOM 147 CD2 LEU A 646 6.356 16.324 2.494 1.00 71.52 C ATOM 0 H LEU A 646 4.128 16.115 6.378 1.00 25.23 H new ATOM 0 HA LEU A 646 4.182 14.773 3.911 1.00 22.14 H new ATOM 0 HB2 LEU A 646 6.195 15.877 5.850 1.00 25.22 H new ATOM 0 HB3 LEU A 646 6.767 14.861 4.541 1.00 25.22 H new ATOM 0 HG LEU A 646 4.973 17.170 3.879 1.00 1.42 H new ATOM 0 HD11 LEU A 646 6.926 18.663 3.745 1.00 12.20 H new ATOM 0 HD12 LEU A 646 6.614 18.131 5.415 1.00 12.20 H new ATOM 0 HD13 LEU A 646 7.938 17.397 4.480 1.00 12.20 H new ATOM 0 HD21 LEU A 646 6.360 17.198 1.842 1.00 71.52 H new ATOM 0 HD22 LEU A 646 7.349 15.874 2.503 1.00 71.52 H new ATOM 0 HD23 LEU A 646 5.632 15.598 2.124 1.00 71.52 H new ATOM 159 N THR A 647 5.189 13.010 6.508 1.00 52.44 N ATOM 160 CA THR A 647 5.482 11.656 6.964 1.00 70.22 C ATOM 161 C THR A 647 4.326 10.712 6.660 1.00 52.55 C ATOM 162 O THR A 647 4.532 9.595 6.183 1.00 5.03 O ATOM 163 CB THR A 647 5.773 11.624 8.476 1.00 71.24 C ATOM 164 OG1 THR A 647 6.861 12.503 8.785 1.00 62.54 O ATOM 165 CG2 THR A 647 6.112 10.211 8.931 1.00 31.25 C ATOM 0 H THR A 647 5.181 13.712 7.248 1.00 52.44 H new ATOM 0 HA THR A 647 6.369 11.325 6.424 1.00 70.22 H new ATOM 0 HB THR A 647 4.878 11.955 9.003 1.00 71.24 H new ATOM 0 HG1 THR A 647 6.576 13.432 8.662 1.00 62.54 H new ATOM 0 HG21 THR A 647 6.314 10.212 10.002 1.00 31.25 H new ATOM 0 HG22 THR A 647 5.271 9.550 8.721 1.00 31.25 H new ATOM 0 HG23 THR A 647 6.994 9.858 8.396 1.00 31.25 H new ATOM 173 N VAL A 648 3.108 11.164 6.938 1.00 3.23 N ATOM 174 CA VAL A 648 1.918 10.359 6.693 1.00 24.12 C ATOM 175 C VAL A 648 1.799 9.989 5.219 1.00 42.22 C ATOM 176 O VAL A 648 1.611 8.821 4.874 1.00 75.31 O ATOM 177 CB VAL A 648 0.639 11.100 7.129 1.00 63.12 C ATOM 178 CG1 VAL A 648 -0.597 10.295 6.758 1.00 51.31 C ATOM 179 CG2 VAL A 648 0.672 11.383 8.623 1.00 1.10 C ATOM 0 H VAL A 648 2.919 12.085 7.334 1.00 3.23 H new ATOM 0 HA VAL A 648 2.023 9.450 7.286 1.00 24.12 H new ATOM 0 HB VAL A 648 0.594 12.053 6.602 1.00 63.12 H new ATOM 0 HG11 VAL A 648 -1.490 10.834 7.074 1.00 51.31 H new ATOM 0 HG12 VAL A 648 -0.625 10.148 5.678 1.00 51.31 H new ATOM 0 HG13 VAL A 648 -0.563 9.326 7.256 1.00 51.31 H new ATOM 0 HG21 VAL A 648 -0.238 11.907 8.914 1.00 1.10 H new ATOM 0 HG22 VAL A 648 0.741 10.443 9.170 1.00 1.10 H new ATOM 0 HG23 VAL A 648 1.538 12.003 8.857 1.00 1.10 H new ATOM 189 N ILE A 649 1.910 10.990 4.352 1.00 25.23 N ATOM 190 CA ILE A 649 1.817 10.769 2.914 1.00 51.41 C ATOM 191 C ILE A 649 2.882 9.786 2.439 1.00 24.25 C ATOM 192 O ILE A 649 2.580 8.815 1.747 1.00 42.50 O ATOM 193 CB ILE A 649 1.965 12.087 2.132 1.00 24.23 C ATOM 194 CG1 ILE A 649 0.843 13.058 2.507 1.00 41.31 C ATOM 195 CG2 ILE A 649 1.960 11.817 0.634 1.00 44.20 C ATOM 196 CD1 ILE A 649 0.925 14.385 1.786 1.00 44.34 C ATOM 0 H ILE A 649 2.064 11.962 4.620 1.00 25.23 H new ATOM 0 HA ILE A 649 0.829 10.351 2.722 1.00 51.41 H new ATOM 0 HB ILE A 649 2.919 12.544 2.397 1.00 24.23 H new ATOM 0 HG12 ILE A 649 -0.118 12.593 2.286 1.00 41.31 H new ATOM 0 HG13 ILE A 649 0.872 13.236 3.582 1.00 41.31 H new ATOM 0 HG21 ILE A 649 2.065 12.758 0.094 1.00 44.20 H new ATOM 0 HG22 ILE A 649 2.791 11.158 0.380 1.00 44.20 H new ATOM 0 HG23 ILE A 649 1.020 11.341 0.353 1.00 44.20 H new ATOM 0 HD11 ILE A 649 0.098 15.022 2.101 1.00 44.34 H new ATOM 0 HD12 ILE A 649 1.870 14.872 2.026 1.00 44.34 H new ATOM 0 HD13 ILE A 649 0.865 14.219 0.710 1.00 44.34 H new ATOM 208 N ALA A 650 4.129 10.046 2.816 1.00 12.52 N ATOM 209 CA ALA A 650 5.239 9.182 2.433 1.00 23.30 C ATOM 210 C ALA A 650 5.044 7.768 2.966 1.00 55.45 C ATOM 211 O ALA A 650 5.261 6.789 2.254 1.00 43.21 O ATOM 212 CB ALA A 650 6.554 9.761 2.931 1.00 52.13 C ATOM 0 H ALA A 650 4.396 10.848 3.386 1.00 12.52 H new ATOM 0 HA ALA A 650 5.268 9.129 1.345 1.00 23.30 H new ATOM 0 HB1 ALA A 650 7.374 9.106 2.638 1.00 52.13 H new ATOM 0 HB2 ALA A 650 6.705 10.749 2.495 1.00 52.13 H new ATOM 0 HB3 ALA A 650 6.527 9.844 4.017 1.00 52.13 H new ATOM 218 N GLY A 651 4.633 7.667 4.227 1.00 54.33 N ATOM 219 CA GLY A 651 4.417 6.368 4.836 1.00 41.33 C ATOM 220 C GLY A 651 3.477 5.497 4.026 1.00 13.25 C ATOM 221 O GLY A 651 3.791 4.346 3.722 1.00 74.32 O ATOM 0 H GLY A 651 4.446 8.462 4.837 1.00 54.33 H new ATOM 0 HA2 GLY A 651 5.374 5.859 4.947 1.00 41.33 H new ATOM 0 HA3 GLY A 651 4.010 6.503 5.838 1.00 41.33 H new ATOM 225 N LEU A 652 2.318 6.046 3.677 1.00 71.43 N ATOM 226 CA LEU A 652 1.328 5.312 2.898 1.00 64.04 C ATOM 227 C LEU A 652 1.901 4.886 1.550 1.00 51.11 C ATOM 228 O LEU A 652 1.828 3.716 1.174 1.00 31.50 O ATOM 229 CB LEU A 652 0.079 6.169 2.686 1.00 65.11 C ATOM 230 CG LEU A 652 -0.655 6.609 3.952 1.00 10.44 C ATOM 231 CD1 LEU A 652 -1.764 7.594 3.612 1.00 53.42 C ATOM 232 CD2 LEU A 652 -1.220 5.403 4.688 1.00 53.03 C ATOM 0 H LEU A 652 2.042 6.997 3.922 1.00 71.43 H new ATOM 0 HA LEU A 652 1.056 4.416 3.456 1.00 64.04 H new ATOM 0 HB2 LEU A 652 0.365 7.060 2.127 1.00 65.11 H new ATOM 0 HB3 LEU A 652 -0.618 5.611 2.061 1.00 65.11 H new ATOM 0 HG LEU A 652 0.059 7.108 4.607 1.00 10.44 H new ATOM 0 HD11 LEU A 652 -2.275 7.896 4.526 1.00 53.42 H new ATOM 0 HD12 LEU A 652 -1.335 8.472 3.129 1.00 53.42 H new ATOM 0 HD13 LEU A 652 -2.477 7.120 2.937 1.00 53.42 H new ATOM 0 HD21 LEU A 652 -1.739 5.736 5.587 1.00 53.03 H new ATOM 0 HD22 LEU A 652 -1.919 4.876 4.039 1.00 53.03 H new ATOM 0 HD23 LEU A 652 -0.407 4.733 4.966 1.00 53.03 H new ATOM 244 N VAL A 653 2.474 5.843 0.827 1.00 22.35 N ATOM 245 CA VAL A 653 3.063 5.567 -0.478 1.00 32.15 C ATOM 246 C VAL A 653 4.058 4.415 -0.399 1.00 23.30 C ATOM 247 O VAL A 653 3.973 3.454 -1.163 1.00 43.01 O ATOM 248 CB VAL A 653 3.776 6.809 -1.045 1.00 31.12 C ATOM 249 CG1 VAL A 653 4.599 6.439 -2.269 1.00 74.15 C ATOM 250 CG2 VAL A 653 2.766 7.896 -1.381 1.00 1.22 C ATOM 0 H VAL A 653 2.543 6.817 1.123 1.00 22.35 H new ATOM 0 HA VAL A 653 2.245 5.291 -1.143 1.00 32.15 H new ATOM 0 HB VAL A 653 4.453 7.197 -0.284 1.00 31.12 H new ATOM 0 HG11 VAL A 653 5.096 7.329 -2.656 1.00 74.15 H new ATOM 0 HG12 VAL A 653 5.348 5.697 -1.993 1.00 74.15 H new ATOM 0 HG13 VAL A 653 3.944 6.026 -3.036 1.00 74.15 H new ATOM 0 HG21 VAL A 653 3.287 8.766 -1.780 1.00 1.22 H new ATOM 0 HG22 VAL A 653 2.062 7.522 -2.125 1.00 1.22 H new ATOM 0 HG23 VAL A 653 2.224 8.180 -0.479 1.00 1.22 H new ATOM 260 N VAL A 654 5.001 4.518 0.531 1.00 73.04 N ATOM 261 CA VAL A 654 6.013 3.484 0.713 1.00 63.01 C ATOM 262 C VAL A 654 5.370 2.122 0.949 1.00 44.24 C ATOM 263 O VAL A 654 5.876 1.097 0.490 1.00 15.03 O ATOM 264 CB VAL A 654 6.945 3.811 1.894 1.00 65.22 C ATOM 265 CG1 VAL A 654 7.994 2.722 2.064 1.00 25.51 C ATOM 266 CG2 VAL A 654 7.601 5.168 1.694 1.00 74.50 C ATOM 0 H VAL A 654 5.086 5.308 1.171 1.00 73.04 H new ATOM 0 HA VAL A 654 6.601 3.452 -0.205 1.00 63.01 H new ATOM 0 HB VAL A 654 6.348 3.852 2.805 1.00 65.22 H new ATOM 0 HG11 VAL A 654 8.644 2.970 2.903 1.00 25.51 H new ATOM 0 HG12 VAL A 654 7.501 1.769 2.256 1.00 25.51 H new ATOM 0 HG13 VAL A 654 8.590 2.646 1.154 1.00 25.51 H new ATOM 0 HG21 VAL A 654 8.256 5.383 2.538 1.00 74.50 H new ATOM 0 HG22 VAL A 654 8.186 5.157 0.774 1.00 74.50 H new ATOM 0 HG23 VAL A 654 6.832 5.937 1.626 1.00 74.50 H new ATOM 276 N ILE A 655 4.251 2.118 1.666 1.00 1.14 N ATOM 277 CA ILE A 655 3.538 0.882 1.961 1.00 11.22 C ATOM 278 C ILE A 655 2.945 0.272 0.695 1.00 34.13 C ATOM 279 O ILE A 655 3.170 -0.900 0.394 1.00 11.50 O ATOM 280 CB ILE A 655 2.408 1.114 2.982 1.00 11.14 C ATOM 281 CG1 ILE A 655 2.991 1.521 4.337 1.00 54.32 C ATOM 282 CG2 ILE A 655 1.554 -0.137 3.121 1.00 33.14 C ATOM 283 CD1 ILE A 655 2.041 2.341 5.182 1.00 34.20 C ATOM 0 H ILE A 655 3.819 2.957 2.053 1.00 1.14 H new ATOM 0 HA ILE A 655 4.267 0.192 2.387 1.00 11.22 H new ATOM 0 HB ILE A 655 1.774 1.924 2.622 1.00 11.14 H new ATOM 0 HG12 ILE A 655 3.271 0.623 4.887 1.00 54.32 H new ATOM 0 HG13 ILE A 655 3.905 2.093 4.173 1.00 54.32 H new ATOM 0 HG21 ILE A 655 0.760 0.043 3.846 1.00 33.14 H new ATOM 0 HG22 ILE A 655 1.114 -0.386 2.155 1.00 33.14 H new ATOM 0 HG23 ILE A 655 2.175 -0.966 3.461 1.00 33.14 H new ATOM 0 HD11 ILE A 655 2.521 2.594 6.128 1.00 34.20 H new ATOM 0 HD12 ILE A 655 1.780 3.257 4.651 1.00 34.20 H new ATOM 0 HD13 ILE A 655 1.137 1.764 5.377 1.00 34.20 H new ATOM 295 N PHE A 656 2.189 1.078 -0.045 1.00 75.14 N ATOM 296 CA PHE A 656 1.566 0.618 -1.280 1.00 0.20 C ATOM 297 C PHE A 656 2.617 0.125 -2.270 1.00 51.15 C ATOM 298 O PHE A 656 2.423 -0.886 -2.944 1.00 70.54 O ATOM 299 CB PHE A 656 0.743 1.744 -1.910 1.00 62.11 C ATOM 300 CG PHE A 656 0.324 1.460 -3.324 1.00 65.20 C ATOM 301 CD1 PHE A 656 -0.093 0.193 -3.697 1.00 12.32 C ATOM 302 CD2 PHE A 656 0.348 2.462 -4.282 1.00 41.41 C ATOM 303 CE1 PHE A 656 -0.480 -0.072 -4.997 1.00 23.15 C ATOM 304 CE2 PHE A 656 -0.038 2.204 -5.583 1.00 45.02 C ATOM 305 CZ PHE A 656 -0.452 0.936 -5.942 1.00 15.31 C ATOM 0 H PHE A 656 1.994 2.051 0.189 1.00 75.14 H new ATOM 0 HA PHE A 656 0.905 -0.214 -1.036 1.00 0.20 H new ATOM 0 HB2 PHE A 656 -0.146 1.917 -1.304 1.00 62.11 H new ATOM 0 HB3 PHE A 656 1.326 2.665 -1.890 1.00 62.11 H new ATOM 0 HD1 PHE A 656 -0.116 -0.598 -2.962 1.00 12.32 H new ATOM 0 HD2 PHE A 656 0.672 3.455 -4.008 1.00 41.41 H new ATOM 0 HE1 PHE A 656 -0.804 -1.065 -5.274 1.00 23.15 H new ATOM 0 HE2 PHE A 656 -0.016 2.994 -6.319 1.00 45.02 H new ATOM 0 HZ PHE A 656 -0.753 0.733 -6.959 1.00 15.31 H new ATOM 315 N MET A 657 3.729 0.848 -2.352 1.00 12.53 N ATOM 316 CA MET A 657 4.811 0.484 -3.258 1.00 63.34 C ATOM 317 C MET A 657 5.534 -0.767 -2.769 1.00 1.32 C ATOM 318 O MET A 657 5.654 -1.751 -3.498 1.00 61.35 O ATOM 319 CB MET A 657 5.804 1.640 -3.391 1.00 23.53 C ATOM 320 CG MET A 657 5.222 2.865 -4.080 1.00 35.11 C ATOM 321 SD MET A 657 6.481 3.876 -4.882 1.00 42.52 S ATOM 322 CE MET A 657 7.313 4.574 -3.458 1.00 23.25 C ATOM 0 H MET A 657 3.904 1.689 -1.802 1.00 12.53 H new ATOM 0 HA MET A 657 4.376 0.272 -4.235 1.00 63.34 H new ATOM 0 HB2 MET A 657 6.154 1.923 -2.398 1.00 23.53 H new ATOM 0 HB3 MET A 657 6.675 1.298 -3.950 1.00 23.53 H new ATOM 0 HG2 MET A 657 4.491 2.546 -4.823 1.00 35.11 H new ATOM 0 HG3 MET A 657 4.689 3.470 -3.347 1.00 35.11 H new ATOM 0 HE1 MET A 657 7.150 5.651 -3.433 1.00 23.25 H new ATOM 0 HE2 MET A 657 6.915 4.126 -2.548 1.00 23.25 H new ATOM 0 HE3 MET A 657 8.382 4.370 -3.525 1.00 23.25 H new ATOM 332 N MET A 658 6.012 -0.722 -1.530 1.00 32.43 N ATOM 333 CA MET A 658 6.722 -1.853 -0.943 1.00 54.03 C ATOM 334 C MET A 658 5.854 -3.107 -0.962 1.00 51.14 C ATOM 335 O MET A 658 6.272 -4.156 -1.455 1.00 33.11 O ATOM 336 CB MET A 658 7.142 -1.530 0.492 1.00 61.24 C ATOM 337 CG MET A 658 8.351 -0.613 0.580 1.00 52.04 C ATOM 338 SD MET A 658 9.135 -0.651 2.203 1.00 75.23 S ATOM 339 CE MET A 658 7.701 -0.587 3.274 1.00 65.24 C ATOM 0 H MET A 658 5.921 0.085 -0.913 1.00 32.43 H new ATOM 0 HA MET A 658 7.614 -2.041 -1.540 1.00 54.03 H new ATOM 0 HB2 MET A 658 6.304 -1.064 1.011 1.00 61.24 H new ATOM 0 HB3 MET A 658 7.363 -2.460 1.015 1.00 61.24 H new ATOM 0 HG2 MET A 658 9.079 -0.904 -0.178 1.00 52.04 H new ATOM 0 HG3 MET A 658 8.045 0.408 0.352 1.00 52.04 H new ATOM 0 HE1 MET A 658 7.955 -0.055 4.191 1.00 65.24 H new ATOM 0 HE2 MET A 658 6.890 -0.067 2.765 1.00 65.24 H new ATOM 0 HE3 MET A 658 7.384 -1.601 3.519 1.00 65.24 H new ATOM 349 N LEU A 659 4.647 -2.994 -0.421 1.00 10.33 N ATOM 350 CA LEU A 659 3.720 -4.120 -0.375 1.00 50.42 C ATOM 351 C LEU A 659 3.492 -4.695 -1.769 1.00 61.53 C ATOM 352 O LEU A 659 3.586 -5.905 -1.976 1.00 23.44 O ATOM 353 CB LEU A 659 2.386 -3.683 0.233 1.00 51.33 C ATOM 354 CG LEU A 659 2.392 -3.409 1.738 1.00 50.01 C ATOM 355 CD1 LEU A 659 0.981 -3.139 2.236 1.00 13.44 C ATOM 356 CD2 LEU A 659 3.012 -4.577 2.491 1.00 3.30 C ATOM 0 H LEU A 659 4.286 -2.134 -0.008 1.00 10.33 H new ATOM 0 HA LEU A 659 4.161 -4.896 0.250 1.00 50.42 H new ATOM 0 HB2 LEU A 659 2.055 -2.780 -0.279 1.00 51.33 H new ATOM 0 HB3 LEU A 659 1.645 -4.456 0.028 1.00 51.33 H new ATOM 0 HG LEU A 659 2.997 -2.522 1.924 1.00 50.01 H new ATOM 0 HD11 LEU A 659 1.004 -2.946 3.309 1.00 13.44 H new ATOM 0 HD12 LEU A 659 0.573 -2.270 1.720 1.00 13.44 H new ATOM 0 HD13 LEU A 659 0.353 -4.007 2.037 1.00 13.44 H new ATOM 0 HD21 LEU A 659 3.008 -4.364 3.560 1.00 3.30 H new ATOM 0 HD22 LEU A 659 2.435 -5.481 2.299 1.00 3.30 H new ATOM 0 HD23 LEU A 659 4.038 -4.723 2.154 1.00 3.30 H new ATOM 368 N GLY A 660 3.195 -3.819 -2.724 1.00 12.22 N ATOM 369 CA GLY A 660 2.960 -4.257 -4.087 1.00 53.15 C ATOM 370 C GLY A 660 4.169 -4.948 -4.689 1.00 4.24 C ATOM 371 O GLY A 660 4.061 -6.057 -5.211 1.00 63.13 O ATOM 0 H GLY A 660 3.113 -2.813 -2.578 1.00 12.22 H new ATOM 0 HA2 GLY A 660 2.109 -4.938 -4.105 1.00 53.15 H new ATOM 0 HA3 GLY A 660 2.693 -3.397 -4.701 1.00 53.15 H new ATOM 375 N GLY A 661 5.321 -4.290 -4.618 1.00 43.22 N ATOM 376 CA GLY A 661 6.538 -4.862 -5.166 1.00 3.31 C ATOM 377 C GLY A 661 6.991 -6.093 -4.408 1.00 71.31 C ATOM 378 O GLY A 661 7.579 -7.008 -4.987 1.00 13.20 O ATOM 0 H GLY A 661 5.434 -3.371 -4.191 1.00 43.22 H new ATOM 0 HA2 GLY A 661 6.375 -5.122 -6.212 1.00 3.31 H new ATOM 0 HA3 GLY A 661 7.330 -4.113 -5.144 1.00 3.31 H new ATOM 382 N THR A 662 6.722 -6.118 -3.106 1.00 61.33 N ATOM 383 CA THR A 662 7.110 -7.244 -2.266 1.00 61.34 C ATOM 384 C THR A 662 6.227 -8.458 -2.532 1.00 21.25 C ATOM 385 O THR A 662 6.723 -9.560 -2.764 1.00 53.32 O ATOM 386 CB THR A 662 7.031 -6.883 -0.771 1.00 70.32 C ATOM 387 OG1 THR A 662 8.004 -5.880 -0.457 1.00 52.43 O ATOM 388 CG2 THR A 662 7.264 -8.111 0.095 1.00 55.44 C ATOM 0 H THR A 662 6.236 -5.370 -2.610 1.00 61.33 H new ATOM 0 HA THR A 662 8.142 -7.487 -2.519 1.00 61.34 H new ATOM 0 HB THR A 662 6.033 -6.497 -0.565 1.00 70.32 H new ATOM 0 HG1 THR A 662 7.671 -5.002 -0.737 1.00 52.43 H new ATOM 0 HG21 THR A 662 7.203 -7.831 1.147 1.00 55.44 H new ATOM 0 HG22 THR A 662 6.504 -8.861 -0.125 1.00 55.44 H new ATOM 0 HG23 THR A 662 8.251 -8.522 -0.115 1.00 55.44 H new ATOM 396 N PHE A 663 4.915 -8.247 -2.498 1.00 41.21 N ATOM 397 CA PHE A 663 3.962 -9.325 -2.735 1.00 13.41 C ATOM 398 C PHE A 663 4.206 -9.978 -4.092 1.00 2.22 C ATOM 399 O PHE A 663 4.390 -11.193 -4.186 1.00 4.54 O ATOM 400 CB PHE A 663 2.529 -8.793 -2.661 1.00 23.21 C ATOM 401 CG PHE A 663 1.545 -9.791 -2.120 1.00 62.34 C ATOM 402 CD1 PHE A 663 1.447 -11.057 -2.675 1.00 21.21 C ATOM 403 CD2 PHE A 663 0.720 -9.463 -1.056 1.00 61.04 C ATOM 404 CE1 PHE A 663 0.542 -11.977 -2.179 1.00 74.11 C ATOM 405 CE2 PHE A 663 -0.185 -10.379 -0.556 1.00 0.25 C ATOM 406 CZ PHE A 663 -0.274 -11.638 -1.117 1.00 2.05 C ATOM 0 H PHE A 663 4.488 -7.340 -2.309 1.00 41.21 H new ATOM 0 HA PHE A 663 4.102 -10.078 -1.959 1.00 13.41 H new ATOM 0 HB2 PHE A 663 2.513 -7.902 -2.033 1.00 23.21 H new ATOM 0 HB3 PHE A 663 2.212 -8.486 -3.658 1.00 23.21 H new ATOM 0 HD1 PHE A 663 2.084 -11.328 -3.504 1.00 21.21 H new ATOM 0 HD2 PHE A 663 0.785 -8.480 -0.613 1.00 61.04 H new ATOM 0 HE1 PHE A 663 0.473 -12.960 -2.621 1.00 74.11 H new ATOM 0 HE2 PHE A 663 -0.823 -10.111 0.273 1.00 0.25 H new ATOM 0 HZ PHE A 663 -0.980 -12.356 -0.726 1.00 2.05 H new ATOM 416 N LEU A 664 4.204 -9.164 -5.142 1.00 61.21 N ATOM 417 CA LEU A 664 4.424 -9.661 -6.496 1.00 60.12 C ATOM 418 C LEU A 664 5.766 -10.379 -6.601 1.00 34.44 C ATOM 419 O LEU A 664 5.858 -11.465 -7.172 1.00 42.42 O ATOM 420 CB LEU A 664 4.370 -8.508 -7.499 1.00 34.54 C ATOM 421 CG LEU A 664 3.024 -7.794 -7.629 1.00 0.41 C ATOM 422 CD1 LEU A 664 3.006 -6.910 -8.867 1.00 72.11 C ATOM 423 CD2 LEU A 664 1.887 -8.805 -7.677 1.00 35.53 C ATOM 0 H LEU A 664 4.053 -8.157 -5.082 1.00 61.21 H new ATOM 0 HA LEU A 664 3.632 -10.373 -6.728 1.00 60.12 H new ATOM 0 HB2 LEU A 664 5.123 -7.772 -7.217 1.00 34.54 H new ATOM 0 HB3 LEU A 664 4.651 -8.892 -8.480 1.00 34.54 H new ATOM 0 HG LEU A 664 2.884 -7.160 -6.753 1.00 0.41 H new ATOM 0 HD11 LEU A 664 2.040 -6.410 -8.943 1.00 72.11 H new ATOM 0 HD12 LEU A 664 3.796 -6.163 -8.792 1.00 72.11 H new ATOM 0 HD13 LEU A 664 3.168 -7.523 -9.754 1.00 72.11 H new ATOM 0 HD21 LEU A 664 0.937 -8.280 -7.770 1.00 35.53 H new ATOM 0 HD22 LEU A 664 2.022 -9.464 -8.534 1.00 35.53 H new ATOM 0 HD23 LEU A 664 1.887 -9.396 -6.761 1.00 35.53 H new ATOM 435 N TYR A 665 6.805 -9.764 -6.045 1.00 51.42 N ATOM 436 CA TYR A 665 8.142 -10.344 -6.076 1.00 42.00 C ATOM 437 C TYR A 665 8.176 -11.677 -5.334 1.00 11.33 C ATOM 438 O TYR A 665 8.730 -12.660 -5.825 1.00 21.54 O ATOM 439 CB TYR A 665 9.154 -9.378 -5.458 1.00 53.23 C ATOM 440 CG TYR A 665 10.472 -10.028 -5.100 1.00 42.32 C ATOM 441 CD1 TYR A 665 10.667 -10.609 -3.853 1.00 32.30 C ATOM 442 CD2 TYR A 665 11.522 -10.062 -6.010 1.00 51.40 C ATOM 443 CE1 TYR A 665 11.869 -11.203 -3.522 1.00 51.10 C ATOM 444 CE2 TYR A 665 12.727 -10.655 -5.687 1.00 64.02 C ATOM 445 CZ TYR A 665 12.896 -11.224 -4.442 1.00 2.31 C ATOM 446 OH TYR A 665 14.095 -11.816 -4.117 1.00 1.23 O ATOM 0 H TYR A 665 6.746 -8.864 -5.568 1.00 51.42 H new ATOM 0 HA TYR A 665 8.409 -10.522 -7.118 1.00 42.00 H new ATOM 0 HB2 TYR A 665 9.339 -8.563 -6.157 1.00 53.23 H new ATOM 0 HB3 TYR A 665 8.721 -8.936 -4.561 1.00 53.23 H new ATOM 0 HD1 TYR A 665 9.865 -10.596 -3.130 1.00 32.30 H new ATOM 0 HD2 TYR A 665 11.394 -9.617 -6.986 1.00 51.40 H new ATOM 0 HE1 TYR A 665 12.004 -11.649 -2.548 1.00 51.10 H new ATOM 0 HE2 TYR A 665 13.533 -10.673 -6.406 1.00 64.02 H new ATOM 0 HH TYR A 665 14.711 -11.746 -4.876 1.00 1.23 H new ATOM 456 N TRP A 666 7.578 -11.701 -4.149 1.00 11.41 N ATOM 457 CA TRP A 666 7.537 -12.914 -3.338 1.00 33.44 C ATOM 458 C TRP A 666 6.870 -14.055 -4.097 1.00 70.42 C ATOM 459 O TRP A 666 7.428 -15.147 -4.210 1.00 72.20 O ATOM 460 CB TRP A 666 6.792 -12.651 -2.028 1.00 24.14 C ATOM 461 CG TRP A 666 7.352 -13.410 -0.863 1.00 41.11 C ATOM 462 CD1 TRP A 666 8.516 -13.149 -0.199 1.00 52.13 C ATOM 463 CD2 TRP A 666 6.772 -14.554 -0.227 1.00 42.23 C ATOM 464 NE1 TRP A 666 8.695 -14.063 0.811 1.00 14.04 N ATOM 465 CE2 TRP A 666 7.638 -14.934 0.816 1.00 72.44 C ATOM 466 CE3 TRP A 666 5.605 -15.293 -0.437 1.00 13.32 C ATOM 467 CZ2 TRP A 666 7.373 -16.021 1.645 1.00 60.12 C ATOM 468 CZ3 TRP A 666 5.342 -16.371 0.387 1.00 34.21 C ATOM 469 CH2 TRP A 666 6.223 -16.727 1.418 1.00 24.35 C ATOM 0 H TRP A 666 7.115 -10.896 -3.728 1.00 11.41 H new ATOM 0 HA TRP A 666 8.563 -13.205 -3.112 1.00 33.44 H new ATOM 0 HB2 TRP A 666 6.826 -11.584 -1.807 1.00 24.14 H new ATOM 0 HB3 TRP A 666 5.743 -12.917 -2.155 1.00 24.14 H new ATOM 0 HD1 TRP A 666 9.196 -12.343 -0.433 1.00 52.13 H new ATOM 0 HE1 TRP A 666 9.487 -14.089 1.453 1.00 14.04 H new ATOM 0 HE3 TRP A 666 4.921 -15.027 -1.229 1.00 13.32 H new ATOM 0 HZ2 TRP A 666 8.051 -16.297 2.439 1.00 60.12 H new ATOM 0 HZ3 TRP A 666 4.443 -16.949 0.234 1.00 34.21 H new ATOM 0 HH2 TRP A 666 5.989 -17.575 2.045 1.00 24.35 H new ATOM 480 N ARG A 667 5.675 -13.795 -4.617 1.00 34.42 N ATOM 481 CA ARG A 667 4.933 -14.802 -5.365 1.00 11.14 C ATOM 482 C ARG A 667 5.787 -15.387 -6.486 1.00 20.42 C ATOM 483 O ARG A 667 5.944 -16.602 -6.593 1.00 14.54 O ATOM 484 CB ARG A 667 3.654 -14.196 -5.947 1.00 11.52 C ATOM 485 CG ARG A 667 2.452 -14.307 -5.023 1.00 40.33 C ATOM 486 CD ARG A 667 1.221 -13.653 -5.629 1.00 5.21 C ATOM 487 NE ARG A 667 0.827 -14.286 -6.885 1.00 3.12 N ATOM 488 CZ ARG A 667 -0.392 -14.195 -7.404 1.00 14.44 C ATOM 489 NH1 ARG A 667 -1.331 -13.499 -6.778 1.00 1.33 N ATOM 490 NH2 ARG A 667 -0.674 -14.799 -8.551 1.00 13.45 N ATOM 0 H ARG A 667 5.200 -12.896 -4.534 1.00 34.42 H new ATOM 0 HA ARG A 667 4.667 -15.605 -4.678 1.00 11.14 H new ATOM 0 HB2 ARG A 667 3.831 -13.145 -6.174 1.00 11.52 H new ATOM 0 HB3 ARG A 667 3.424 -14.692 -6.890 1.00 11.52 H new ATOM 0 HG2 ARG A 667 2.244 -15.357 -4.819 1.00 40.33 H new ATOM 0 HG3 ARG A 667 2.682 -13.836 -4.067 1.00 40.33 H new ATOM 0 HD2 ARG A 667 0.395 -13.709 -4.920 1.00 5.21 H new ATOM 0 HD3 ARG A 667 1.421 -12.596 -5.803 1.00 5.21 H new ATOM 0 HE ARG A 667 1.527 -14.828 -7.392 1.00 3.12 H new ATOM 0 HH11 ARG A 667 -1.118 -13.032 -5.896 1.00 1.33 H new ATOM 0 HH12 ARG A 667 -2.267 -13.430 -7.178 1.00 1.33 H new ATOM 0 HH21 ARG A 667 0.046 -15.335 -9.036 1.00 13.45 H new ATOM 0 HH22 ARG A 667 -1.611 -14.728 -8.948 1.00 13.45 H new ATOM 504 N GLY A 668 6.337 -14.511 -7.322 1.00 24.43 N ATOM 505 CA GLY A 668 7.167 -14.958 -8.425 1.00 55.14 C ATOM 506 C GLY A 668 8.397 -15.711 -7.955 1.00 62.40 C ATOM 507 O GLY A 668 8.959 -16.518 -8.696 1.00 32.05 O ATOM 0 H GLY A 668 6.222 -13.500 -7.255 1.00 24.43 H new ATOM 0 HA2 GLY A 668 6.580 -15.600 -9.081 1.00 55.14 H new ATOM 0 HA3 GLY A 668 7.476 -14.096 -9.016 1.00 55.14 H new ATOM 511 N ARG A 669 8.817 -15.444 -6.723 1.00 45.25 N ATOM 512 CA ARG A 669 9.990 -16.100 -6.158 1.00 54.44 C ATOM 513 C ARG A 669 9.635 -17.487 -5.627 1.00 63.30 C ATOM 514 O ARG A 669 10.406 -18.436 -5.778 1.00 43.21 O ATOM 515 CB ARG A 669 10.585 -15.250 -5.034 1.00 10.35 C ATOM 516 CG ARG A 669 10.652 -15.969 -3.696 1.00 52.55 C ATOM 517 CD ARG A 669 11.302 -15.102 -2.629 1.00 62.43 C ATOM 518 NE ARG A 669 12.626 -15.595 -2.258 1.00 34.32 N ATOM 519 CZ ARG A 669 13.362 -15.063 -1.288 1.00 71.33 C ATOM 520 NH1 ARG A 669 12.905 -14.029 -0.595 1.00 61.11 N ATOM 521 NH2 ARG A 669 14.558 -15.567 -1.008 1.00 2.33 N ATOM 0 H ARG A 669 8.363 -14.779 -6.097 1.00 45.25 H new ATOM 0 HA ARG A 669 10.730 -16.211 -6.951 1.00 54.44 H new ATOM 0 HB2 ARG A 669 11.589 -14.937 -5.319 1.00 10.35 H new ATOM 0 HB3 ARG A 669 9.989 -14.344 -4.921 1.00 10.35 H new ATOM 0 HG2 ARG A 669 9.646 -16.245 -3.379 1.00 52.55 H new ATOM 0 HG3 ARG A 669 11.216 -16.895 -3.807 1.00 52.55 H new ATOM 0 HD2 ARG A 669 11.385 -14.078 -2.994 1.00 62.43 H new ATOM 0 HD3 ARG A 669 10.664 -15.075 -1.745 1.00 62.43 H new ATOM 0 HE ARG A 669 13.006 -16.390 -2.771 1.00 34.32 H new ATOM 0 HH11 ARG A 669 11.986 -13.640 -0.806 1.00 61.11 H new ATOM 0 HH12 ARG A 669 13.472 -13.623 0.149 1.00 61.11 H new ATOM 0 HH21 ARG A 669 14.913 -16.363 -1.538 1.00 2.33 H new ATOM 0 HH22 ARG A 669 15.122 -15.158 -0.263 1.00 2.33 H new ATOM 535 N ARG A 670 8.465 -17.597 -5.007 1.00 31.45 N ATOM 536 CA ARG A 670 8.009 -18.865 -4.453 1.00 71.52 C ATOM 537 C ARG A 670 7.657 -19.848 -5.566 1.00 54.42 C ATOM 538 O ARG A 670 7.738 -21.064 -5.384 1.00 33.41 O ATOM 539 CB ARG A 670 6.795 -18.645 -3.550 1.00 14.41 C ATOM 540 CG ARG A 670 7.123 -17.915 -2.257 1.00 11.45 C ATOM 541 CD ARG A 670 7.107 -18.859 -1.065 1.00 52.22 C ATOM 542 NE ARG A 670 7.934 -20.042 -1.292 1.00 25.11 N ATOM 543 CZ ARG A 670 8.165 -20.966 -0.367 1.00 32.50 C ATOM 544 NH1 ARG A 670 7.634 -20.846 0.842 1.00 71.52 N ATOM 545 NH2 ARG A 670 8.928 -22.014 -0.650 1.00 64.31 N ATOM 0 H ARG A 670 7.815 -16.822 -4.876 1.00 31.45 H new ATOM 0 HA ARG A 670 8.821 -19.287 -3.861 1.00 71.52 H new ATOM 0 HB2 ARG A 670 6.043 -18.077 -4.098 1.00 14.41 H new ATOM 0 HB3 ARG A 670 6.351 -19.611 -3.310 1.00 14.41 H new ATOM 0 HG2 ARG A 670 8.105 -17.449 -2.340 1.00 11.45 H new ATOM 0 HG3 ARG A 670 6.402 -17.113 -2.097 1.00 11.45 H new ATOM 0 HD2 ARG A 670 7.464 -18.332 -0.180 1.00 52.22 H new ATOM 0 HD3 ARG A 670 6.082 -19.167 -0.861 1.00 52.22 H new ATOM 0 HE ARG A 670 8.357 -20.165 -2.212 1.00 25.11 H new ATOM 0 HH11 ARG A 670 7.046 -20.042 1.063 1.00 71.52 H new ATOM 0 HH12 ARG A 670 7.813 -21.557 1.551 1.00 71.52 H new ATOM 0 HH21 ARG A 670 9.338 -22.110 -1.579 1.00 64.31 H new ATOM 0 HH22 ARG A 670 9.105 -22.723 0.062 1.00 64.31 H new ATOM 559 N HIS A 671 7.264 -19.314 -6.718 1.00 12.55 N ATOM 560 CA HIS A 671 6.898 -20.144 -7.860 1.00 72.20 C ATOM 561 C HIS A 671 8.142 -20.708 -8.542 1.00 10.11 C ATOM 562 O HIS A 671 8.195 -21.892 -8.878 1.00 71.32 O ATOM 563 CB HIS A 671 6.076 -19.336 -8.863 1.00 4.04 C ATOM 564 CG HIS A 671 5.387 -20.179 -9.892 1.00 61.31 C ATOM 565 ND1 HIS A 671 5.895 -20.387 -11.157 1.00 31.24 N ATOM 566 CD2 HIS A 671 4.225 -20.870 -9.836 1.00 72.24 C ATOM 567 CE1 HIS A 671 5.073 -21.167 -11.836 1.00 50.12 C ATOM 568 NE2 HIS A 671 4.052 -21.476 -11.057 1.00 35.03 N ATOM 0 H HIS A 671 7.191 -18.310 -6.885 1.00 12.55 H new ATOM 0 HA HIS A 671 6.295 -20.976 -7.495 1.00 72.20 H new ATOM 0 HB2 HIS A 671 5.329 -18.754 -8.323 1.00 4.04 H new ATOM 0 HB3 HIS A 671 6.730 -18.625 -9.367 1.00 4.04 H new ATOM 0 HD2 HIS A 671 3.558 -20.933 -8.989 1.00 72.24 H new ATOM 0 HE1 HIS A 671 5.212 -21.496 -12.855 1.00 50.12 H new ATOM 0 HE2 HIS A 671 3.264 -22.068 -11.319 1.00 35.03 H new ATOM 576 N HIS A 672 9.140 -19.853 -8.743 1.00 14.20 N ATOM 577 CA HIS A 672 10.383 -20.267 -9.384 1.00 21.03 C ATOM 578 C HIS A 672 11.181 -21.195 -8.475 1.00 75.32 C ATOM 579 O HIS A 672 11.430 -20.878 -7.311 1.00 13.32 O ATOM 580 CB HIS A 672 11.224 -19.043 -9.749 1.00 73.01 C ATOM 581 CG HIS A 672 11.687 -19.037 -11.174 1.00 10.12 C ATOM 582 ND1 HIS A 672 13.014 -18.939 -11.534 1.00 25.02 N ATOM 583 CD2 HIS A 672 10.989 -19.119 -12.331 1.00 55.14 C ATOM 584 CE1 HIS A 672 13.113 -18.960 -12.851 1.00 31.34 C ATOM 585 NE2 HIS A 672 11.898 -19.069 -13.359 1.00 73.52 N ATOM 0 H HIS A 672 9.112 -18.870 -8.471 1.00 14.20 H new ATOM 0 HA HIS A 672 10.130 -20.810 -10.295 1.00 21.03 H new ATOM 0 HB2 HIS A 672 10.640 -18.142 -9.562 1.00 73.01 H new ATOM 0 HB3 HIS A 672 12.093 -19.001 -9.093 1.00 73.01 H new ATOM 0 HD2 HIS A 672 9.917 -19.207 -12.428 1.00 55.14 H new ATOM 0 HE1 HIS A 672 14.031 -18.899 -13.417 1.00 31.34 H new ATOM 0 HE2 HIS A 672 11.672 -19.109 -14.353 1.00 73.52 H new ATOM 593 N HIS A 673 11.580 -22.344 -9.013 1.00 35.44 N ATOM 594 CA HIS A 673 12.351 -23.319 -8.248 1.00 1.13 C ATOM 595 C HIS A 673 13.720 -22.758 -7.876 1.00 44.13 C ATOM 596 O HIS A 673 14.548 -22.487 -8.746 1.00 11.20 O ATOM 597 CB HIS A 673 12.516 -24.610 -9.050 1.00 43.01 C ATOM 598 CG HIS A 673 12.062 -25.834 -8.315 1.00 1.15 C ATOM 599 ND1 HIS A 673 10.798 -26.370 -8.454 1.00 22.41 N ATOM 600 CD2 HIS A 673 12.710 -26.628 -7.432 1.00 32.11 C ATOM 601 CE1 HIS A 673 10.689 -27.439 -7.687 1.00 14.34 C ATOM 602 NE2 HIS A 673 11.836 -27.618 -7.056 1.00 43.03 N ATOM 0 H HIS A 673 11.383 -22.622 -9.974 1.00 35.44 H new ATOM 0 HA HIS A 673 11.806 -23.537 -7.329 1.00 1.13 H new ATOM 0 HB2 HIS A 673 11.953 -24.525 -9.980 1.00 43.01 H new ATOM 0 HB3 HIS A 673 13.565 -24.728 -9.322 1.00 43.01 H new ATOM 0 HD2 HIS A 673 13.726 -26.506 -7.087 1.00 32.11 H new ATOM 0 HE1 HIS A 673 9.812 -28.061 -7.592 1.00 14.34 H new ATOM 0 HE2 HIS A 673 12.039 -28.369 -6.397 1.00 43.03 H new ATOM 610 N HIS A 674 13.950 -22.586 -6.579 1.00 72.35 N ATOM 611 CA HIS A 674 15.220 -22.057 -6.091 1.00 40.41 C ATOM 612 C HIS A 674 15.585 -22.677 -4.746 1.00 31.53 C ATOM 613 O HIS A 674 14.710 -23.039 -3.959 1.00 64.31 O ATOM 614 CB HIS A 674 15.146 -20.535 -5.963 1.00 72.03 C ATOM 615 CG HIS A 674 16.139 -19.813 -6.821 1.00 13.24 C ATOM 616 ND1 HIS A 674 16.852 -18.716 -6.387 1.00 51.15 N ATOM 617 CD2 HIS A 674 16.536 -20.037 -8.095 1.00 45.24 C ATOM 618 CE1 HIS A 674 17.644 -18.297 -7.356 1.00 24.43 C ATOM 619 NE2 HIS A 674 17.472 -19.082 -8.405 1.00 4.53 N ATOM 0 H HIS A 674 13.275 -22.805 -5.846 1.00 72.35 H new ATOM 0 HA HIS A 674 15.996 -22.316 -6.812 1.00 40.41 H new ATOM 0 HB2 HIS A 674 14.142 -20.205 -6.228 1.00 72.03 H new ATOM 0 HB3 HIS A 674 15.309 -20.258 -4.921 1.00 72.03 H new ATOM 0 HD2 HIS A 674 16.182 -20.822 -8.747 1.00 45.24 H new ATOM 0 HE1 HIS A 674 18.318 -17.455 -7.301 1.00 24.43 H new ATOM 0 HE2 HIS A 674 17.956 -18.993 -9.299 1.00 4.53 H new ATOM 627 N HIS A 675 16.884 -22.794 -4.488 1.00 41.43 N ATOM 628 CA HIS A 675 17.365 -23.371 -3.237 1.00 64.31 C ATOM 629 C HIS A 675 17.129 -22.415 -2.073 1.00 34.45 C ATOM 630 O HIS A 675 17.433 -21.224 -2.162 1.00 52.52 O ATOM 631 CB HIS A 675 18.854 -23.704 -3.344 1.00 4.31 C ATOM 632 CG HIS A 675 19.286 -24.813 -2.434 1.00 64.32 C ATOM 633 ND1 HIS A 675 18.773 -26.090 -2.509 1.00 52.53 N ATOM 634 CD2 HIS A 675 20.190 -24.829 -1.427 1.00 53.20 C ATOM 635 CE1 HIS A 675 19.342 -26.846 -1.586 1.00 31.04 C ATOM 636 NE2 HIS A 675 20.206 -26.104 -0.916 1.00 12.44 N ATOM 0 H HIS A 675 17.621 -22.497 -5.127 1.00 41.43 H new ATOM 0 HA HIS A 675 16.807 -24.289 -3.050 1.00 64.31 H new ATOM 0 HB2 HIS A 675 19.083 -23.979 -4.373 1.00 4.31 H new ATOM 0 HB3 HIS A 675 19.435 -22.811 -3.116 1.00 4.31 H new ATOM 0 HD2 HIS A 675 20.787 -23.995 -1.088 1.00 53.20 H new ATOM 0 HE1 HIS A 675 19.136 -27.891 -1.410 1.00 31.04 H new ATOM 0 HE2 HIS A 675 20.790 -26.426 -0.144 1.00 12.44 H new ATOM 644 N HIS A 676 16.585 -22.942 -0.980 1.00 31.23 N ATOM 645 CA HIS A 676 16.308 -22.135 0.203 1.00 24.44 C ATOM 646 C HIS A 676 17.521 -22.092 1.128 1.00 40.12 C ATOM 647 O HIS A 676 18.039 -21.008 1.391 1.00 33.23 O ATOM 648 CB HIS A 676 15.098 -22.691 0.954 1.00 41.51 C ATOM 649 CG HIS A 676 15.285 -24.099 1.431 1.00 33.12 C ATOM 650 ND1 HIS A 676 14.862 -25.198 0.715 1.00 21.20 N ATOM 651 CD2 HIS A 676 15.855 -24.582 2.560 1.00 24.23 C ATOM 652 CE1 HIS A 676 15.162 -26.298 1.383 1.00 71.42 C ATOM 653 NE2 HIS A 676 15.765 -25.951 2.506 1.00 72.20 N ATOM 0 H HIS A 676 16.327 -23.925 -0.889 1.00 31.23 H new ATOM 0 HA HIS A 676 16.087 -21.119 -0.124 1.00 24.44 H new ATOM 0 HB2 HIS A 676 14.887 -22.051 1.811 1.00 41.51 H new ATOM 0 HB3 HIS A 676 14.225 -22.650 0.302 1.00 41.51 H new ATOM 0 HD2 HIS A 676 16.298 -23.999 3.354 1.00 24.23 H new ATOM 0 HE1 HIS A 676 14.950 -27.308 1.065 1.00 71.42 H new ATOM 0 HE2 HIS A 676 16.108 -26.596 3.218 1.00 72.20 H new TER 661 HIS A 676 ATOM 662 N MET B 637 -11.146 32.700 6.451 1.00 1.24 N ATOM 663 CA MET B 637 -11.689 31.411 6.037 1.00 4.14 C ATOM 664 C MET B 637 -11.104 30.980 4.696 1.00 35.30 C ATOM 665 O MET B 637 -11.721 31.168 3.649 1.00 22.12 O ATOM 666 CB MET B 637 -13.215 31.484 5.941 1.00 33.22 C ATOM 667 CG MET B 637 -13.928 30.883 7.141 1.00 40.43 C ATOM 668 SD MET B 637 -15.272 31.923 7.744 1.00 32.20 S ATOM 669 CE MET B 637 -16.690 30.897 7.366 1.00 4.12 C ATOM 0 HA MET B 637 -11.414 30.671 6.788 1.00 4.14 H new ATOM 0 HB2 MET B 637 -13.515 32.527 5.835 1.00 33.22 H new ATOM 0 HB3 MET B 637 -13.539 30.966 5.039 1.00 33.22 H new ATOM 0 HG2 MET B 637 -14.325 29.904 6.870 1.00 40.43 H new ATOM 0 HG3 MET B 637 -13.208 30.724 7.944 1.00 40.43 H new ATOM 0 HE1 MET B 637 -17.601 31.405 7.681 1.00 4.12 H new ATOM 0 HE2 MET B 637 -16.730 30.713 6.292 1.00 4.12 H new ATOM 0 HE3 MET B 637 -16.603 29.948 7.894 1.00 4.12 H new ATOM 679 N GLY B 638 -9.909 30.400 4.738 1.00 62.42 N ATOM 680 CA GLY B 638 -9.260 29.951 3.519 1.00 63.23 C ATOM 681 C GLY B 638 -9.375 28.452 3.318 1.00 15.35 C ATOM 682 O GLY B 638 -10.400 27.959 2.849 1.00 32.02 O ATOM 0 H GLY B 638 -9.379 30.233 5.593 1.00 62.42 H new ATOM 0 HA2 GLY B 638 -9.703 30.464 2.665 1.00 63.23 H new ATOM 0 HA3 GLY B 638 -8.207 30.231 3.548 1.00 63.23 H new ATOM 686 N ARG B 639 -8.320 27.727 3.674 1.00 73.25 N ATOM 687 CA ARG B 639 -8.306 26.277 3.528 1.00 54.13 C ATOM 688 C ARG B 639 -8.622 25.872 2.092 1.00 65.13 C ATOM 689 O ARG B 639 -9.784 25.704 1.723 1.00 51.44 O ATOM 690 CB ARG B 639 -9.315 25.637 4.484 1.00 2.31 C ATOM 691 CG ARG B 639 -8.965 25.819 5.951 1.00 54.41 C ATOM 692 CD ARG B 639 -9.892 26.819 6.624 1.00 34.24 C ATOM 693 NE ARG B 639 -10.142 26.479 8.023 1.00 11.41 N ATOM 694 CZ ARG B 639 -10.987 27.145 8.801 1.00 12.15 C ATOM 695 NH1 ARG B 639 -11.660 28.182 8.322 1.00 21.53 N ATOM 696 NH2 ARG B 639 -11.161 26.774 10.064 1.00 65.11 N ATOM 0 H ARG B 639 -7.464 28.120 4.066 1.00 73.25 H new ATOM 0 HA ARG B 639 -7.306 25.922 3.775 1.00 54.13 H new ATOM 0 HB2 ARG B 639 -10.300 26.065 4.299 1.00 2.31 H new ATOM 0 HB3 ARG B 639 -9.384 24.571 4.265 1.00 2.31 H new ATOM 0 HG2 ARG B 639 -9.029 24.859 6.464 1.00 54.41 H new ATOM 0 HG3 ARG B 639 -7.933 26.160 6.041 1.00 54.41 H new ATOM 0 HD2 ARG B 639 -9.454 27.815 6.566 1.00 34.24 H new ATOM 0 HD3 ARG B 639 -10.839 26.855 6.085 1.00 34.24 H new ATOM 0 HE ARG B 639 -9.640 25.687 8.424 1.00 11.41 H new ATOM 0 HH11 ARG B 639 -11.530 28.471 7.352 1.00 21.53 H new ATOM 0 HH12 ARG B 639 -12.308 28.691 8.923 1.00 21.53 H new ATOM 0 HH21 ARG B 639 -10.645 25.977 10.437 1.00 65.11 H new ATOM 0 HH22 ARG B 639 -11.810 27.286 10.661 1.00 65.11 H new ATOM 710 N THR B 640 -7.578 25.717 1.283 1.00 73.40 N ATOM 711 CA THR B 640 -7.743 25.334 -0.113 1.00 70.32 C ATOM 712 C THR B 640 -6.833 24.164 -0.474 1.00 2.55 C ATOM 713 O THR B 640 -7.283 23.168 -1.042 1.00 74.43 O ATOM 714 CB THR B 640 -7.444 26.512 -1.059 1.00 32.11 C ATOM 715 OG1 THR B 640 -8.327 27.603 -0.777 1.00 13.45 O ATOM 716 CG2 THR B 640 -7.596 26.093 -2.513 1.00 51.44 C ATOM 0 H THR B 640 -6.609 25.851 1.572 1.00 73.40 H new ATOM 0 HA THR B 640 -8.784 25.034 -0.237 1.00 70.32 H new ATOM 0 HB THR B 640 -6.413 26.827 -0.895 1.00 32.11 H new ATOM 0 HG1 THR B 640 -8.129 28.349 -1.382 1.00 13.45 H new ATOM 0 HG21 THR B 640 -7.380 26.942 -3.161 1.00 51.44 H new ATOM 0 HG22 THR B 640 -6.901 25.283 -2.733 1.00 51.44 H new ATOM 0 HG23 THR B 640 -8.617 25.753 -2.689 1.00 51.44 H new ATOM 724 N HIS B 641 -5.553 24.292 -0.140 1.00 40.23 N ATOM 725 CA HIS B 641 -4.580 23.244 -0.428 1.00 41.51 C ATOM 726 C HIS B 641 -4.912 21.969 0.342 1.00 20.51 C ATOM 727 O HIS B 641 -4.350 20.906 0.074 1.00 40.24 O ATOM 728 CB HIS B 641 -3.171 23.716 -0.073 1.00 63.44 C ATOM 729 CG HIS B 641 -2.895 23.727 1.398 1.00 14.22 C ATOM 730 ND1 HIS B 641 -2.109 22.783 2.024 1.00 63.42 N ATOM 731 CD2 HIS B 641 -3.304 24.577 2.369 1.00 71.24 C ATOM 732 CE1 HIS B 641 -2.048 23.050 3.316 1.00 72.03 C ATOM 733 NE2 HIS B 641 -2.764 24.133 3.552 1.00 31.15 N ATOM 0 H HIS B 641 -5.165 25.110 0.330 1.00 40.23 H new ATOM 0 HA HIS B 641 -4.623 23.025 -1.495 1.00 41.51 H new ATOM 0 HB2 HIS B 641 -2.445 23.069 -0.565 1.00 63.44 H new ATOM 0 HB3 HIS B 641 -3.023 24.720 -0.469 1.00 63.44 H new ATOM 0 HD2 HIS B 641 -3.937 25.443 2.238 1.00 71.24 H new ATOM 0 HE1 HIS B 641 -1.504 22.479 4.054 1.00 72.03 H new ATOM 0 HE2 HIS B 641 -2.895 24.570 4.464 1.00 31.15 H new ATOM 741 N LEU B 642 -5.824 22.082 1.300 1.00 11.15 N ATOM 742 CA LEU B 642 -6.229 20.939 2.111 1.00 32.12 C ATOM 743 C LEU B 642 -7.051 19.952 1.288 1.00 23.42 C ATOM 744 O LEU B 642 -6.996 18.743 1.513 1.00 4.22 O ATOM 745 CB LEU B 642 -7.038 21.408 3.322 1.00 33.53 C ATOM 746 CG LEU B 642 -6.226 21.869 4.533 1.00 22.12 C ATOM 747 CD1 LEU B 642 -7.025 22.862 5.365 1.00 64.35 C ATOM 748 CD2 LEU B 642 -5.807 20.677 5.379 1.00 54.21 C ATOM 0 H LEU B 642 -6.298 22.954 1.535 1.00 11.15 H new ATOM 0 HA LEU B 642 -5.328 20.434 2.458 1.00 32.12 H new ATOM 0 HB2 LEU B 642 -7.682 22.229 3.008 1.00 33.53 H new ATOM 0 HB3 LEU B 642 -7.690 20.593 3.636 1.00 33.53 H new ATOM 0 HG LEU B 642 -5.326 22.368 4.174 1.00 22.12 H new ATOM 0 HD11 LEU B 642 -6.431 23.179 6.222 1.00 64.35 H new ATOM 0 HD12 LEU B 642 -7.274 23.730 4.755 1.00 64.35 H new ATOM 0 HD13 LEU B 642 -7.943 22.389 5.714 1.00 64.35 H new ATOM 0 HD21 LEU B 642 -5.230 21.024 6.236 1.00 54.21 H new ATOM 0 HD22 LEU B 642 -6.694 20.149 5.728 1.00 54.21 H new ATOM 0 HD23 LEU B 642 -5.196 20.002 4.780 1.00 54.21 H new ATOM 760 N THR B 643 -7.811 20.476 0.331 1.00 12.24 N ATOM 761 CA THR B 643 -8.643 19.642 -0.526 1.00 2.11 C ATOM 762 C THR B 643 -7.799 18.639 -1.304 1.00 24.21 C ATOM 763 O THR B 643 -8.025 17.432 -1.229 1.00 1.50 O ATOM 764 CB THR B 643 -9.456 20.493 -1.521 1.00 61.40 C ATOM 765 OG1 THR B 643 -9.898 21.699 -0.887 1.00 42.04 O ATOM 766 CG2 THR B 643 -10.656 19.718 -2.042 1.00 41.40 C ATOM 0 H THR B 643 -7.867 21.475 0.130 1.00 12.24 H new ATOM 0 HA THR B 643 -9.330 19.105 0.127 1.00 2.11 H new ATOM 0 HB THR B 643 -8.811 20.742 -2.364 1.00 61.40 H new ATOM 0 HG1 THR B 643 -9.202 22.384 -0.966 1.00 42.04 H new ATOM 0 HG21 THR B 643 -11.214 20.339 -2.742 1.00 41.40 H new ATOM 0 HG22 THR B 643 -10.314 18.816 -2.550 1.00 41.40 H new ATOM 0 HG23 THR B 643 -11.301 19.442 -1.208 1.00 41.40 H new ATOM 774 N MET B 644 -6.824 19.147 -2.052 1.00 5.41 N ATOM 775 CA MET B 644 -5.944 18.294 -2.843 1.00 13.25 C ATOM 776 C MET B 644 -5.141 17.360 -1.944 1.00 63.12 C ATOM 777 O MET B 644 -5.074 16.155 -2.187 1.00 20.50 O ATOM 778 CB MET B 644 -4.997 19.147 -3.688 1.00 1.00 C ATOM 779 CG MET B 644 -5.699 19.930 -4.786 1.00 13.51 C ATOM 780 SD MET B 644 -4.555 20.573 -6.022 1.00 40.33 S ATOM 781 CE MET B 644 -3.992 22.069 -5.217 1.00 33.51 C ATOM 0 H MET B 644 -6.624 20.144 -2.127 1.00 5.41 H new ATOM 0 HA MET B 644 -6.564 17.689 -3.505 1.00 13.25 H new ATOM 0 HB2 MET B 644 -4.470 19.844 -3.036 1.00 1.00 H new ATOM 0 HB3 MET B 644 -4.244 18.501 -4.139 1.00 1.00 H new ATOM 0 HG2 MET B 644 -6.431 19.287 -5.274 1.00 13.51 H new ATOM 0 HG3 MET B 644 -6.250 20.759 -4.341 1.00 13.51 H new ATOM 0 HE1 MET B 644 -3.276 22.581 -5.860 1.00 33.51 H new ATOM 0 HE2 MET B 644 -4.843 22.723 -5.029 1.00 33.51 H new ATOM 0 HE3 MET B 644 -3.514 21.815 -4.271 1.00 33.51 H new ATOM 791 N ALA B 645 -4.533 17.924 -0.905 1.00 71.04 N ATOM 792 CA ALA B 645 -3.736 17.140 0.030 1.00 20.25 C ATOM 793 C ALA B 645 -4.569 16.033 0.669 1.00 70.30 C ATOM 794 O ALA B 645 -4.102 14.905 0.828 1.00 41.33 O ATOM 795 CB ALA B 645 -3.143 18.042 1.103 1.00 60.12 C ATOM 0 H ALA B 645 -4.577 18.920 -0.690 1.00 71.04 H new ATOM 0 HA ALA B 645 -2.924 16.672 -0.527 1.00 20.25 H new ATOM 0 HB1 ALA B 645 -2.550 17.443 1.795 1.00 60.12 H new ATOM 0 HB2 ALA B 645 -2.506 18.793 0.636 1.00 60.12 H new ATOM 0 HB3 ALA B 645 -3.947 18.536 1.648 1.00 60.12 H new ATOM 801 N LEU B 646 -5.802 16.364 1.034 1.00 41.23 N ATOM 802 CA LEU B 646 -6.701 15.398 1.656 1.00 42.22 C ATOM 803 C LEU B 646 -6.972 14.225 0.719 1.00 42.32 C ATOM 804 O LEU B 646 -6.968 13.067 1.138 1.00 75.20 O ATOM 805 CB LEU B 646 -8.018 16.072 2.043 1.00 12.44 C ATOM 806 CG LEU B 646 -8.047 16.753 3.411 1.00 20.25 C ATOM 807 CD1 LEU B 646 -9.025 17.918 3.407 1.00 40.21 C ATOM 808 CD2 LEU B 646 -8.409 15.752 4.499 1.00 4.54 C ATOM 0 H LEU B 646 -6.203 17.294 0.910 1.00 41.23 H new ATOM 0 HA LEU B 646 -6.218 15.016 2.556 1.00 42.22 H new ATOM 0 HB2 LEU B 646 -8.259 16.816 1.284 1.00 12.44 H new ATOM 0 HB3 LEU B 646 -8.808 15.322 2.016 1.00 12.44 H new ATOM 0 HG LEU B 646 -7.051 17.143 3.622 1.00 20.25 H new ATOM 0 HD11 LEU B 646 -9.032 18.391 4.389 1.00 40.21 H new ATOM 0 HD12 LEU B 646 -8.720 18.647 2.656 1.00 40.21 H new ATOM 0 HD13 LEU B 646 -10.025 17.553 3.173 1.00 40.21 H new ATOM 0 HD21 LEU B 646 -8.425 16.255 5.466 1.00 4.54 H new ATOM 0 HD22 LEU B 646 -9.393 15.331 4.293 1.00 4.54 H new ATOM 0 HD23 LEU B 646 -7.669 14.952 4.518 1.00 4.54 H new ATOM 820 N THR B 647 -7.208 14.532 -0.552 1.00 22.40 N ATOM 821 CA THR B 647 -7.480 13.504 -1.550 1.00 12.11 C ATOM 822 C THR B 647 -6.307 12.539 -1.678 1.00 40.31 C ATOM 823 O THR B 647 -6.494 11.323 -1.731 1.00 21.41 O ATOM 824 CB THR B 647 -7.775 14.124 -2.929 1.00 75.31 C ATOM 825 OG1 THR B 647 -8.873 15.037 -2.832 1.00 54.23 O ATOM 826 CG2 THR B 647 -8.096 13.043 -3.950 1.00 21.11 C ATOM 0 H THR B 647 -7.216 15.485 -0.916 1.00 22.40 H new ATOM 0 HA THR B 647 -8.360 12.958 -1.211 1.00 12.11 H new ATOM 0 HB THR B 647 -6.886 14.661 -3.259 1.00 75.31 H new ATOM 0 HG1 THR B 647 -8.602 15.820 -2.308 1.00 54.23 H new ATOM 0 HG21 THR B 647 -8.301 13.504 -4.916 1.00 21.11 H new ATOM 0 HG22 THR B 647 -7.246 12.367 -4.044 1.00 21.11 H new ATOM 0 HG23 THR B 647 -8.971 12.482 -3.623 1.00 21.11 H new ATOM 834 N VAL B 648 -5.098 13.088 -1.728 1.00 63.43 N ATOM 835 CA VAL B 648 -3.893 12.274 -1.849 1.00 11.22 C ATOM 836 C VAL B 648 -3.766 11.305 -0.679 1.00 61.44 C ATOM 837 O VAL B 648 -3.558 10.107 -0.873 1.00 0.21 O ATOM 838 CB VAL B 648 -2.629 13.150 -1.916 1.00 70.44 C ATOM 839 CG1 VAL B 648 -1.378 12.284 -1.924 1.00 55.43 C ATOM 840 CG2 VAL B 648 -2.670 14.051 -3.142 1.00 60.21 C ATOM 0 H VAL B 648 -4.926 14.093 -1.687 1.00 63.43 H new ATOM 0 HA VAL B 648 -3.983 11.709 -2.777 1.00 11.22 H new ATOM 0 HB VAL B 648 -2.599 13.782 -1.028 1.00 70.44 H new ATOM 0 HG11 VAL B 648 -0.495 12.921 -1.972 1.00 55.43 H new ATOM 0 HG12 VAL B 648 -1.344 11.685 -1.014 1.00 55.43 H new ATOM 0 HG13 VAL B 648 -1.397 11.625 -2.792 1.00 55.43 H new ATOM 0 HG21 VAL B 648 -1.769 14.663 -3.174 1.00 60.21 H new ATOM 0 HG22 VAL B 648 -2.724 13.439 -4.042 1.00 60.21 H new ATOM 0 HG23 VAL B 648 -3.546 14.697 -3.089 1.00 60.21 H new ATOM 850 N ILE B 649 -3.891 11.832 0.534 1.00 55.24 N ATOM 851 CA ILE B 649 -3.790 11.013 1.736 1.00 63.15 C ATOM 852 C ILE B 649 -4.836 9.903 1.734 1.00 3.30 C ATOM 853 O ILE B 649 -4.515 8.733 1.937 1.00 1.31 O ATOM 854 CB ILE B 649 -3.959 11.859 3.010 1.00 34.34 C ATOM 855 CG1 ILE B 649 -2.856 12.916 3.097 1.00 73.42 C ATOM 856 CG2 ILE B 649 -3.944 10.970 4.244 1.00 0.20 C ATOM 857 CD1 ILE B 649 -2.959 13.800 4.320 1.00 21.35 C ATOM 0 H ILE B 649 -4.062 12.822 0.711 1.00 55.24 H new ATOM 0 HA ILE B 649 -2.794 10.571 1.733 1.00 63.15 H new ATOM 0 HB ILE B 649 -4.922 12.367 2.964 1.00 34.34 H new ATOM 0 HG12 ILE B 649 -1.886 12.418 3.100 1.00 73.42 H new ATOM 0 HG13 ILE B 649 -2.891 13.540 2.204 1.00 73.42 H new ATOM 0 HG21 ILE B 649 -4.065 11.584 5.136 1.00 0.20 H new ATOM 0 HG22 ILE B 649 -4.762 10.252 4.185 1.00 0.20 H new ATOM 0 HG23 ILE B 649 -2.995 10.436 4.296 1.00 0.20 H new ATOM 0 HD11 ILE B 649 -2.145 14.525 4.315 1.00 21.35 H new ATOM 0 HD12 ILE B 649 -3.913 14.326 4.309 1.00 21.35 H new ATOM 0 HD13 ILE B 649 -2.893 13.187 5.219 1.00 21.35 H new ATOM 869 N ALA B 650 -6.089 10.280 1.501 1.00 54.50 N ATOM 870 CA ALA B 650 -7.183 9.317 1.469 1.00 1.24 C ATOM 871 C ALA B 650 -6.967 8.276 0.375 1.00 34.44 C ATOM 872 O ALA B 650 -7.166 7.082 0.593 1.00 32.20 O ATOM 873 CB ALA B 650 -8.510 10.032 1.264 1.00 0.02 C ATOM 0 H ALA B 650 -6.372 11.245 1.332 1.00 54.50 H new ATOM 0 HA ALA B 650 -7.206 8.799 2.428 1.00 1.24 H new ATOM 0 HB1 ALA B 650 -9.318 9.301 1.242 1.00 0.02 H new ATOM 0 HB2 ALA B 650 -8.676 10.732 2.083 1.00 0.02 H new ATOM 0 HB3 ALA B 650 -8.488 10.576 0.320 1.00 0.02 H new ATOM 879 N GLY B 651 -6.557 8.739 -0.802 1.00 43.35 N ATOM 880 CA GLY B 651 -6.321 7.834 -1.912 1.00 30.15 C ATOM 881 C GLY B 651 -5.370 6.710 -1.553 1.00 33.44 C ATOM 882 O GLY B 651 -5.675 5.537 -1.768 1.00 63.34 O ATOM 0 H GLY B 651 -6.384 9.723 -1.007 1.00 43.35 H new ATOM 0 HA2 GLY B 651 -7.271 7.411 -2.240 1.00 30.15 H new ATOM 0 HA3 GLY B 651 -5.914 8.395 -2.754 1.00 30.15 H new ATOM 886 N LEU B 652 -4.214 7.068 -1.004 1.00 10.42 N ATOM 887 CA LEU B 652 -3.215 6.080 -0.614 1.00 75.23 C ATOM 888 C LEU B 652 -3.780 5.110 0.418 1.00 13.25 C ATOM 889 O LEU B 652 -3.694 3.893 0.255 1.00 0.52 O ATOM 890 CB LEU B 652 -1.973 6.775 -0.052 1.00 12.34 C ATOM 891 CG LEU B 652 -1.247 7.726 -1.004 1.00 73.04 C ATOM 892 CD1 LEU B 652 -0.150 8.481 -0.270 1.00 53.14 C ATOM 893 CD2 LEU B 652 -0.672 6.960 -2.186 1.00 41.30 C ATOM 0 H LEU B 652 -3.946 8.035 -0.819 1.00 10.42 H new ATOM 0 HA LEU B 652 -2.936 5.513 -1.502 1.00 75.23 H new ATOM 0 HB2 LEU B 652 -2.265 7.335 0.836 1.00 12.34 H new ATOM 0 HB3 LEU B 652 -1.268 6.009 0.272 1.00 12.34 H new ATOM 0 HG LEU B 652 -1.967 8.451 -1.383 1.00 73.04 H new ATOM 0 HD11 LEU B 652 0.356 9.153 -0.963 1.00 53.14 H new ATOM 0 HD12 LEU B 652 -0.588 9.061 0.543 1.00 53.14 H new ATOM 0 HD13 LEU B 652 0.570 7.771 0.138 1.00 53.14 H new ATOM 0 HD21 LEU B 652 -0.159 7.652 -2.853 1.00 41.30 H new ATOM 0 HD22 LEU B 652 0.034 6.212 -1.826 1.00 41.30 H new ATOM 0 HD23 LEU B 652 -1.479 6.466 -2.727 1.00 41.30 H new ATOM 905 N VAL B 653 -4.360 5.658 1.482 1.00 70.11 N ATOM 906 CA VAL B 653 -4.943 4.843 2.541 1.00 44.43 C ATOM 907 C VAL B 653 -5.926 3.826 1.971 1.00 51.31 C ATOM 908 O VAL B 653 -5.829 2.630 2.247 1.00 55.12 O ATOM 909 CB VAL B 653 -5.668 5.712 3.585 1.00 62.13 C ATOM 910 CG1 VAL B 653 -6.487 4.844 4.527 1.00 74.04 C ATOM 911 CG2 VAL B 653 -4.668 6.558 4.359 1.00 4.41 C ATOM 0 H VAL B 653 -4.438 6.664 1.633 1.00 70.11 H new ATOM 0 HA VAL B 653 -4.120 4.318 3.026 1.00 44.43 H new ATOM 0 HB VAL B 653 -6.351 6.383 3.064 1.00 62.13 H new ATOM 0 HG11 VAL B 653 -6.992 5.476 5.258 1.00 74.04 H new ATOM 0 HG12 VAL B 653 -7.229 4.286 3.955 1.00 74.04 H new ATOM 0 HG13 VAL B 653 -5.828 4.147 5.044 1.00 74.04 H new ATOM 0 HG21 VAL B 653 -5.197 7.166 5.093 1.00 4.41 H new ATOM 0 HG22 VAL B 653 -3.959 5.907 4.871 1.00 4.41 H new ATOM 0 HG23 VAL B 653 -4.130 7.208 3.669 1.00 4.41 H new ATOM 921 N VAL B 654 -6.874 4.308 1.174 1.00 22.50 N ATOM 922 CA VAL B 654 -7.876 3.442 0.564 1.00 74.33 C ATOM 923 C VAL B 654 -7.219 2.321 -0.234 1.00 70.33 C ATOM 924 O VAL B 654 -7.716 1.194 -0.265 1.00 70.44 O ATOM 925 CB VAL B 654 -8.814 4.235 -0.364 1.00 53.44 C ATOM 926 CG1 VAL B 654 -9.850 3.314 -0.990 1.00 51.34 C ATOM 927 CG2 VAL B 654 -9.487 5.365 0.400 1.00 35.44 C ATOM 0 H VAL B 654 -6.969 5.295 0.935 1.00 22.50 H new ATOM 0 HA VAL B 654 -8.461 3.012 1.377 1.00 74.33 H new ATOM 0 HB VAL B 654 -8.219 4.672 -1.166 1.00 53.44 H new ATOM 0 HG11 VAL B 654 -10.504 3.892 -1.643 1.00 51.34 H new ATOM 0 HG12 VAL B 654 -9.346 2.542 -1.572 1.00 51.34 H new ATOM 0 HG13 VAL B 654 -10.443 2.846 -0.204 1.00 51.34 H new ATOM 0 HG21 VAL B 654 -10.147 5.915 -0.271 1.00 35.44 H new ATOM 0 HG22 VAL B 654 -10.070 4.951 1.223 1.00 35.44 H new ATOM 0 HG23 VAL B 654 -8.728 6.039 0.796 1.00 35.44 H new ATOM 937 N ILE B 655 -6.100 2.637 -0.878 1.00 34.11 N ATOM 938 CA ILE B 655 -5.374 1.656 -1.675 1.00 55.52 C ATOM 939 C ILE B 655 -4.773 0.568 -0.792 1.00 72.53 C ATOM 940 O ILE B 655 -4.984 -0.623 -1.023 1.00 23.32 O ATOM 941 CB ILE B 655 -4.250 2.316 -2.495 1.00 2.34 C ATOM 942 CG1 ILE B 655 -4.843 3.260 -3.544 1.00 34.31 C ATOM 943 CG2 ILE B 655 -3.385 1.256 -3.157 1.00 73.13 C ATOM 944 CD1 ILE B 655 -3.904 4.373 -3.953 1.00 24.02 C ATOM 0 H ILE B 655 -5.677 3.565 -0.863 1.00 34.11 H new ATOM 0 HA ILE B 655 -6.095 1.209 -2.359 1.00 55.52 H new ATOM 0 HB ILE B 655 -3.622 2.899 -1.821 1.00 2.34 H new ATOM 0 HG12 ILE B 655 -5.117 2.683 -4.427 1.00 34.31 H new ATOM 0 HG13 ILE B 655 -5.761 3.696 -3.151 1.00 34.31 H new ATOM 0 HG21 ILE B 655 -2.595 1.738 -3.733 1.00 73.13 H new ATOM 0 HG22 ILE B 655 -2.940 0.620 -2.392 1.00 73.13 H new ATOM 0 HG23 ILE B 655 -3.999 0.648 -3.822 1.00 73.13 H new ATOM 0 HD11 ILE B 655 -4.389 5.003 -4.698 1.00 24.02 H new ATOM 0 HD12 ILE B 655 -3.650 4.974 -3.080 1.00 24.02 H new ATOM 0 HD13 ILE B 655 -2.995 3.945 -4.376 1.00 24.02 H new ATOM 956 N PHE B 656 -4.021 0.985 0.222 1.00 42.34 N ATOM 957 CA PHE B 656 -3.389 0.046 1.141 1.00 60.42 C ATOM 958 C PHE B 656 -4.431 -0.838 1.819 1.00 73.41 C ATOM 959 O PHE B 656 -4.217 -2.035 2.008 1.00 14.11 O ATOM 960 CB PHE B 656 -2.578 0.800 2.197 1.00 64.41 C ATOM 961 CG PHE B 656 -2.149 -0.059 3.351 1.00 53.54 C ATOM 962 CD1 PHE B 656 -1.712 -1.357 3.141 1.00 22.40 C ATOM 963 CD2 PHE B 656 -2.183 0.430 4.647 1.00 74.02 C ATOM 964 CE1 PHE B 656 -1.316 -2.151 4.201 1.00 44.10 C ATOM 965 CE2 PHE B 656 -1.788 -0.359 5.710 1.00 14.11 C ATOM 966 CZ PHE B 656 -1.355 -1.652 5.488 1.00 64.42 C ATOM 0 H PHE B 656 -3.835 1.967 0.428 1.00 42.34 H new ATOM 0 HA PHE B 656 -2.718 -0.591 0.564 1.00 60.42 H new ATOM 0 HB2 PHE B 656 -1.694 1.229 1.726 1.00 64.41 H new ATOM 0 HB3 PHE B 656 -3.173 1.631 2.575 1.00 64.41 H new ATOM 0 HD1 PHE B 656 -1.680 -1.753 2.137 1.00 22.40 H new ATOM 0 HD2 PHE B 656 -2.522 1.439 4.828 1.00 74.02 H new ATOM 0 HE1 PHE B 656 -0.976 -3.161 4.023 1.00 44.10 H new ATOM 0 HE2 PHE B 656 -1.818 0.035 6.715 1.00 14.11 H new ATOM 0 HZ PHE B 656 -1.048 -2.271 6.318 1.00 64.42 H new ATOM 976 N MET B 657 -5.559 -0.238 2.184 1.00 55.30 N ATOM 977 CA MET B 657 -6.636 -0.970 2.842 1.00 30.54 C ATOM 978 C MET B 657 -7.348 -1.890 1.856 1.00 53.25 C ATOM 979 O MET B 657 -7.458 -3.094 2.085 1.00 52.31 O ATOM 980 CB MET B 657 -7.638 0.004 3.464 1.00 62.51 C ATOM 981 CG MET B 657 -7.065 0.814 4.615 1.00 73.24 C ATOM 982 SD MET B 657 -8.329 1.362 5.777 1.00 32.03 S ATOM 983 CE MET B 657 -9.174 2.602 4.798 1.00 44.14 C ATOM 0 H MET B 657 -5.751 0.753 2.036 1.00 55.30 H new ATOM 0 HA MET B 657 -6.198 -1.581 3.631 1.00 30.54 H new ATOM 0 HB2 MET B 657 -7.995 0.687 2.693 1.00 62.51 H new ATOM 0 HB3 MET B 657 -8.503 -0.556 3.820 1.00 62.51 H new ATOM 0 HG2 MET B 657 -6.326 0.212 5.145 1.00 73.24 H new ATOM 0 HG3 MET B 657 -6.542 1.683 4.217 1.00 73.24 H new ATOM 0 HE1 MET B 657 -9.006 3.587 5.234 1.00 44.14 H new ATOM 0 HE2 MET B 657 -8.788 2.586 3.779 1.00 44.14 H new ATOM 0 HE3 MET B 657 -10.243 2.389 4.785 1.00 44.14 H new ATOM 993 N MET B 658 -7.829 -1.315 0.758 1.00 11.44 N ATOM 994 CA MET B 658 -8.531 -2.086 -0.262 1.00 24.31 C ATOM 995 C MET B 658 -7.654 -3.218 -0.787 1.00 23.51 C ATOM 996 O MET B 658 -8.062 -4.380 -0.798 1.00 74.41 O ATOM 997 CB MET B 658 -8.955 -1.176 -1.417 1.00 35.41 C ATOM 998 CG MET B 658 -10.173 -0.322 -1.102 1.00 71.33 C ATOM 999 SD MET B 658 -10.959 0.339 -2.583 1.00 41.12 S ATOM 1000 CE MET B 658 -9.527 0.872 -3.518 1.00 43.31 C ATOM 0 H MET B 658 -7.746 -0.319 0.552 1.00 11.44 H new ATOM 0 HA MET B 658 -9.420 -2.521 0.194 1.00 24.31 H new ATOM 0 HB2 MET B 658 -8.122 -0.524 -1.680 1.00 35.41 H new ATOM 0 HB3 MET B 658 -9.168 -1.789 -2.293 1.00 35.41 H new ATOM 0 HG2 MET B 658 -10.897 -0.919 -0.547 1.00 71.33 H new ATOM 0 HG3 MET B 658 -9.876 0.503 -0.454 1.00 71.33 H new ATOM 0 HE1 MET B 658 -9.787 1.746 -4.115 1.00 43.31 H new ATOM 0 HE2 MET B 658 -8.719 1.128 -2.832 1.00 43.31 H new ATOM 0 HE3 MET B 658 -9.202 0.067 -4.177 1.00 43.31 H new ATOM 1010 N LEU B 659 -6.447 -2.871 -1.223 1.00 41.12 N ATOM 1011 CA LEU B 659 -5.512 -3.858 -1.751 1.00 15.11 C ATOM 1012 C LEU B 659 -5.285 -4.984 -0.747 1.00 31.10 C ATOM 1013 O LEU B 659 -5.379 -6.163 -1.088 1.00 32.31 O ATOM 1014 CB LEU B 659 -4.179 -3.193 -2.098 1.00 63.34 C ATOM 1015 CG LEU B 659 -4.182 -2.288 -3.330 1.00 44.25 C ATOM 1016 CD1 LEU B 659 -2.771 -1.822 -3.653 1.00 32.41 C ATOM 1017 CD2 LEU B 659 -4.792 -3.012 -4.523 1.00 74.31 C ATOM 0 H LEU B 659 -6.094 -1.914 -1.221 1.00 41.12 H new ATOM 0 HA LEU B 659 -5.945 -4.284 -2.656 1.00 15.11 H new ATOM 0 HB2 LEU B 659 -3.855 -2.604 -1.240 1.00 63.34 H new ATOM 0 HB3 LEU B 659 -3.434 -3.974 -2.248 1.00 63.34 H new ATOM 0 HG LEU B 659 -4.792 -1.411 -3.111 1.00 44.25 H new ATOM 0 HD11 LEU B 659 -2.793 -1.179 -4.533 1.00 32.41 H new ATOM 0 HD12 LEU B 659 -2.369 -1.265 -2.806 1.00 32.41 H new ATOM 0 HD13 LEU B 659 -2.139 -2.687 -3.852 1.00 32.41 H new ATOM 0 HD21 LEU B 659 -4.786 -2.353 -5.391 1.00 74.31 H new ATOM 0 HD22 LEU B 659 -4.209 -3.906 -4.743 1.00 74.31 H new ATOM 0 HD23 LEU B 659 -5.818 -3.296 -4.290 1.00 74.31 H new ATOM 1029 N GLY B 660 -4.988 -4.612 0.495 1.00 71.14 N ATOM 1030 CA GLY B 660 -4.754 -5.602 1.530 1.00 2.02 C ATOM 1031 C GLY B 660 -5.962 -6.487 1.770 1.00 24.53 C ATOM 1032 O GLY B 660 -5.855 -7.712 1.763 1.00 65.51 O ATOM 0 H GLY B 660 -4.905 -3.643 0.802 1.00 71.14 H new ATOM 0 HA2 GLY B 660 -3.903 -6.222 1.249 1.00 2.02 H new ATOM 0 HA3 GLY B 660 -4.488 -5.097 2.458 1.00 2.02 H new ATOM 1036 N GLY B 661 -7.117 -5.863 1.985 1.00 21.14 N ATOM 1037 CA GLY B 661 -8.333 -6.617 2.227 1.00 74.51 C ATOM 1038 C GLY B 661 -8.780 -7.403 1.011 1.00 70.13 C ATOM 1039 O GLY B 661 -9.369 -8.477 1.137 1.00 21.11 O ATOM 0 H GLY B 661 -7.232 -4.850 1.996 1.00 21.14 H new ATOM 0 HA2 GLY B 661 -8.172 -7.302 3.059 1.00 74.51 H new ATOM 0 HA3 GLY B 661 -9.127 -5.933 2.526 1.00 74.51 H new ATOM 1043 N THR B 662 -8.500 -6.867 -0.174 1.00 33.42 N ATOM 1044 CA THR B 662 -8.880 -7.523 -1.418 1.00 61.15 C ATOM 1045 C THR B 662 -7.990 -8.729 -1.697 1.00 21.40 C ATOM 1046 O THR B 662 -8.479 -9.826 -1.967 1.00 13.24 O ATOM 1047 CB THR B 662 -8.800 -6.553 -2.612 1.00 52.02 C ATOM 1048 OG1 THR B 662 -9.777 -5.516 -2.467 1.00 32.10 O ATOM 1049 CG2 THR B 662 -9.026 -7.290 -3.923 1.00 4.30 C ATOM 0 H THR B 662 -8.011 -5.980 -0.297 1.00 33.42 H new ATOM 0 HA THR B 662 -9.911 -7.855 -1.298 1.00 61.15 H new ATOM 0 HB THR B 662 -7.803 -6.112 -2.628 1.00 52.02 H new ATOM 0 HG1 THR B 662 -9.451 -4.846 -1.831 1.00 32.10 H new ATOM 0 HG21 THR B 662 -8.965 -6.585 -4.752 1.00 4.30 H new ATOM 0 HG22 THR B 662 -8.263 -8.059 -4.044 1.00 4.30 H new ATOM 0 HG23 THR B 662 -10.012 -7.755 -3.914 1.00 4.30 H new ATOM 1057 N PHE B 663 -6.679 -8.519 -1.631 1.00 63.01 N ATOM 1058 CA PHE B 663 -5.719 -9.589 -1.877 1.00 43.43 C ATOM 1059 C PHE B 663 -5.966 -10.767 -0.939 1.00 64.23 C ATOM 1060 O PHE B 663 -6.158 -11.900 -1.383 1.00 61.34 O ATOM 1061 CB PHE B 663 -4.291 -9.073 -1.701 1.00 72.34 C ATOM 1062 CG PHE B 663 -3.304 -9.705 -2.641 1.00 43.44 C ATOM 1063 CD1 PHE B 663 -3.191 -11.084 -2.722 1.00 61.15 C ATOM 1064 CD2 PHE B 663 -2.491 -8.922 -3.444 1.00 31.21 C ATOM 1065 CE1 PHE B 663 -2.283 -11.669 -3.586 1.00 11.54 C ATOM 1066 CE2 PHE B 663 -1.582 -9.500 -4.309 1.00 61.43 C ATOM 1067 CZ PHE B 663 -1.479 -10.876 -4.381 1.00 40.22 C ATOM 0 H PHE B 663 -6.257 -7.617 -1.409 1.00 63.01 H new ATOM 0 HA PHE B 663 -5.849 -9.931 -2.904 1.00 43.43 H new ATOM 0 HB2 PHE B 663 -4.283 -7.993 -1.850 1.00 72.34 H new ATOM 0 HB3 PHE B 663 -3.971 -9.255 -0.675 1.00 72.34 H new ATOM 0 HD1 PHE B 663 -3.819 -11.709 -2.104 1.00 61.15 H new ATOM 0 HD2 PHE B 663 -2.569 -7.846 -3.393 1.00 31.21 H new ATOM 0 HE1 PHE B 663 -2.203 -12.745 -3.639 1.00 11.54 H new ATOM 0 HE2 PHE B 663 -0.953 -8.877 -4.928 1.00 61.43 H new ATOM 0 HZ PHE B 663 -0.771 -11.331 -5.058 1.00 40.22 H new ATOM 1077 N LEU B 664 -5.960 -10.491 0.360 1.00 60.04 N ATOM 1078 CA LEU B 664 -6.182 -11.528 1.364 1.00 23.24 C ATOM 1079 C LEU B 664 -7.524 -12.218 1.144 1.00 11.22 C ATOM 1080 O LEU B 664 -7.617 -13.445 1.190 1.00 42.03 O ATOM 1081 CB LEU B 664 -6.129 -10.925 2.768 1.00 34.11 C ATOM 1082 CG LEU B 664 -4.786 -10.329 3.193 1.00 71.34 C ATOM 1083 CD1 LEU B 664 -4.765 -10.075 4.693 1.00 63.52 C ATOM 1084 CD2 LEU B 664 -3.643 -11.251 2.791 1.00 22.10 C ATOM 0 H LEU B 664 -5.804 -9.559 0.744 1.00 60.04 H new ATOM 0 HA LEU B 664 -5.391 -12.272 1.265 1.00 23.24 H new ATOM 0 HB2 LEU B 664 -6.887 -10.145 2.835 1.00 34.11 H new ATOM 0 HB3 LEU B 664 -6.403 -11.699 3.485 1.00 34.11 H new ATOM 0 HG LEU B 664 -4.655 -9.375 2.682 1.00 71.34 H new ATOM 0 HD11 LEU B 664 -3.802 -9.651 4.977 1.00 63.52 H new ATOM 0 HD12 LEU B 664 -5.560 -9.377 4.955 1.00 63.52 H new ATOM 0 HD13 LEU B 664 -4.918 -11.015 5.223 1.00 63.52 H new ATOM 0 HD21 LEU B 664 -2.695 -10.812 3.101 1.00 22.10 H new ATOM 0 HD22 LEU B 664 -3.769 -12.220 3.275 1.00 22.10 H new ATOM 0 HD23 LEU B 664 -3.645 -11.383 1.709 1.00 22.10 H new ATOM 1096 N TYR B 665 -8.560 -11.423 0.904 1.00 12.21 N ATOM 1097 CA TYR B 665 -9.897 -11.958 0.678 1.00 1.34 C ATOM 1098 C TYR B 665 -9.927 -12.847 -0.561 1.00 53.25 C ATOM 1099 O TYR B 665 -10.481 -13.947 -0.537 1.00 23.53 O ATOM 1100 CB TYR B 665 -10.906 -10.818 0.525 1.00 55.20 C ATOM 1101 CG TYR B 665 -12.224 -11.253 -0.076 1.00 30.04 C ATOM 1102 CD1 TYR B 665 -12.416 -11.249 -1.452 1.00 11.23 C ATOM 1103 CD2 TYR B 665 -13.276 -11.665 0.732 1.00 0.32 C ATOM 1104 CE1 TYR B 665 -13.619 -11.643 -2.006 1.00 53.54 C ATOM 1105 CE2 TYR B 665 -14.482 -12.063 0.186 1.00 51.34 C ATOM 1106 CZ TYR B 665 -14.648 -12.050 -1.183 1.00 42.52 C ATOM 1107 OH TYR B 665 -15.848 -12.445 -1.729 1.00 65.44 O ATOM 0 H TYR B 665 -8.500 -10.406 0.861 1.00 12.21 H new ATOM 0 HA TYR B 665 -10.169 -12.563 1.543 1.00 1.34 H new ATOM 0 HB2 TYR B 665 -11.091 -10.374 1.503 1.00 55.20 H new ATOM 0 HB3 TYR B 665 -10.470 -10.040 -0.101 1.00 55.20 H new ATOM 0 HD1 TYR B 665 -11.612 -10.933 -2.099 1.00 11.23 H new ATOM 0 HD2 TYR B 665 -13.150 -11.675 1.805 1.00 0.32 H new ATOM 0 HE1 TYR B 665 -13.753 -11.632 -3.078 1.00 53.54 H new ATOM 0 HE2 TYR B 665 -15.290 -12.382 0.828 1.00 51.34 H new ATOM 0 HH TYR B 665 -16.465 -12.702 -1.012 1.00 65.44 H new ATOM 1117 N TRP B 666 -9.325 -12.364 -1.641 1.00 62.32 N ATOM 1118 CA TRP B 666 -9.280 -13.114 -2.891 1.00 43.12 C ATOM 1119 C TRP B 666 -8.604 -14.466 -2.690 1.00 50.14 C ATOM 1120 O TRP B 666 -9.162 -15.507 -3.038 1.00 2.50 O ATOM 1121 CB TRP B 666 -8.539 -12.314 -3.964 1.00 40.20 C ATOM 1122 CG TRP B 666 -9.118 -12.483 -5.336 1.00 4.21 C ATOM 1123 CD1 TRP B 666 -10.295 -11.968 -5.799 1.00 35.22 C ATOM 1124 CD2 TRP B 666 -8.547 -13.220 -6.423 1.00 55.43 C ATOM 1125 NE1 TRP B 666 -10.489 -12.339 -7.107 1.00 12.24 N ATOM 1126 CE2 TRP B 666 -9.431 -13.107 -7.513 1.00 41.23 C ATOM 1127 CE3 TRP B 666 -7.374 -13.963 -6.580 1.00 65.14 C ATOM 1128 CZ2 TRP B 666 -9.177 -13.711 -8.742 1.00 5.42 C ATOM 1129 CZ3 TRP B 666 -7.123 -14.562 -7.801 1.00 21.44 C ATOM 1130 CH2 TRP B 666 -8.021 -14.432 -8.870 1.00 13.30 C ATOM 0 H TRP B 666 -8.861 -11.456 -1.677 1.00 62.32 H new ATOM 0 HA TRP B 666 -10.305 -13.286 -3.220 1.00 43.12 H new ATOM 0 HB2 TRP B 666 -8.558 -11.257 -3.697 1.00 40.20 H new ATOM 0 HB3 TRP B 666 -7.493 -12.621 -3.978 1.00 40.20 H new ATOM 0 HD1 TRP B 666 -10.974 -11.358 -5.221 1.00 35.22 H new ATOM 0 HE1 TRP B 666 -11.291 -12.084 -7.683 1.00 12.24 H new ATOM 0 HE3 TRP B 666 -6.676 -14.068 -5.763 1.00 65.14 H new ATOM 0 HZ2 TRP B 666 -9.869 -13.614 -9.566 1.00 5.42 H new ATOM 0 HZ3 TRP B 666 -6.220 -15.140 -7.933 1.00 21.44 H new ATOM 0 HH2 TRP B 666 -7.796 -14.910 -9.812 1.00 13.30 H new ATOM 1141 N ARG B 667 -7.401 -14.443 -2.127 1.00 63.15 N ATOM 1142 CA ARG B 667 -6.649 -15.668 -1.881 1.00 45.14 C ATOM 1143 C ARG B 667 -7.487 -16.673 -1.096 1.00 10.14 C ATOM 1144 O ARG B 667 -7.645 -17.821 -1.506 1.00 63.31 O ATOM 1145 CB ARG B 667 -5.360 -15.357 -1.119 1.00 70.33 C ATOM 1146 CG ARG B 667 -4.173 -15.065 -2.023 1.00 35.02 C ATOM 1147 CD ARG B 667 -2.932 -14.716 -1.217 1.00 13.23 C ATOM 1148 NE ARG B 667 -2.514 -15.815 -0.351 1.00 42.53 N ATOM 1149 CZ ARG B 667 -1.286 -15.940 0.138 1.00 54.53 C ATOM 1150 NH1 ARG B 667 -0.359 -15.038 -0.151 1.00 31.51 N ATOM 1151 NH2 ARG B 667 -0.983 -16.969 0.920 1.00 61.35 N ATOM 0 H ARG B 667 -6.926 -13.590 -1.832 1.00 63.15 H new ATOM 0 HA ARG B 667 -6.395 -16.108 -2.846 1.00 45.14 H new ATOM 0 HB2 ARG B 667 -5.530 -14.499 -0.469 1.00 70.33 H new ATOM 0 HB3 ARG B 667 -5.116 -16.202 -0.475 1.00 70.33 H new ATOM 0 HG2 ARG B 667 -3.969 -15.933 -2.649 1.00 35.02 H new ATOM 0 HG3 ARG B 667 -4.418 -14.240 -2.692 1.00 35.02 H new ATOM 0 HD2 ARG B 667 -2.119 -14.461 -1.896 1.00 13.23 H new ATOM 0 HD3 ARG B 667 -3.130 -13.832 -0.611 1.00 13.23 H new ATOM 0 HE ARG B 667 -3.204 -16.526 -0.108 1.00 42.53 H new ATOM 0 HH11 ARG B 667 -0.588 -14.245 -0.750 1.00 31.51 H new ATOM 0 HH12 ARG B 667 0.584 -15.137 0.226 1.00 31.51 H new ATOM 0 HH21 ARG B 667 -1.694 -17.665 1.146 1.00 61.35 H new ATOM 0 HH22 ARG B 667 -0.039 -17.064 1.295 1.00 61.35 H new ATOM 1165 N GLY B 668 -8.023 -16.230 0.039 1.00 63.42 N ATOM 1166 CA GLY B 668 -8.838 -17.101 0.864 1.00 62.23 C ATOM 1167 C GLY B 668 -10.102 -17.553 0.159 1.00 73.25 C ATOM 1168 O GLY B 668 -10.701 -18.562 0.531 1.00 61.11 O ATOM 0 H GLY B 668 -7.906 -15.283 0.400 1.00 63.42 H new ATOM 0 HA2 GLY B 668 -8.254 -17.975 1.151 1.00 62.23 H new ATOM 0 HA3 GLY B 668 -9.105 -16.580 1.783 1.00 62.23 H new ATOM 1172 N ARG B 669 -10.508 -16.805 -0.861 1.00 21.41 N ATOM 1173 CA ARG B 669 -11.710 -17.132 -1.617 1.00 20.35 C ATOM 1174 C ARG B 669 -11.388 -18.083 -2.767 1.00 73.50 C ATOM 1175 O ARG B 669 -12.278 -18.727 -3.321 1.00 24.53 O ATOM 1176 CB ARG B 669 -12.359 -15.858 -2.162 1.00 23.52 C ATOM 1177 CG ARG B 669 -13.553 -15.387 -1.349 1.00 34.51 C ATOM 1178 CD ARG B 669 -14.670 -16.418 -1.349 1.00 53.23 C ATOM 1179 NE ARG B 669 -14.982 -16.887 -2.696 1.00 73.31 N ATOM 1180 CZ ARG B 669 -15.650 -16.165 -3.589 1.00 61.33 C ATOM 1181 NH1 ARG B 669 -16.073 -14.948 -3.279 1.00 35.01 N ATOM 1182 NH2 ARG B 669 -15.895 -16.661 -4.795 1.00 62.11 N ATOM 0 H ARG B 669 -10.022 -15.968 -1.183 1.00 21.41 H new ATOM 0 HA ARG B 669 -12.408 -17.628 -0.943 1.00 20.35 H new ATOM 0 HB2 ARG B 669 -11.613 -15.064 -2.190 1.00 23.52 H new ATOM 0 HB3 ARG B 669 -12.676 -16.033 -3.190 1.00 23.52 H new ATOM 0 HG2 ARG B 669 -13.241 -15.188 -0.324 1.00 34.51 H new ATOM 0 HG3 ARG B 669 -13.924 -14.447 -1.757 1.00 34.51 H new ATOM 0 HD2 ARG B 669 -14.381 -17.266 -0.728 1.00 53.23 H new ATOM 0 HD3 ARG B 669 -15.564 -15.984 -0.900 1.00 53.23 H new ATOM 0 HE ARG B 669 -14.670 -17.820 -2.966 1.00 73.31 H new ATOM 0 HH11 ARG B 669 -15.886 -14.564 -2.353 1.00 35.01 H new ATOM 0 HH12 ARG B 669 -16.586 -14.396 -3.966 1.00 35.01 H new ATOM 0 HH21 ARG B 669 -15.570 -17.597 -5.037 1.00 62.11 H new ATOM 0 HH22 ARG B 669 -16.408 -16.106 -5.480 1.00 62.11 H new ATOM 1196 N ARG B 670 -10.109 -18.165 -3.119 1.00 34.23 N ATOM 1197 CA ARG B 670 -9.669 -19.035 -4.202 1.00 32.23 C ATOM 1198 C ARG B 670 -9.521 -20.474 -3.718 1.00 10.34 C ATOM 1199 O ARG B 670 -10.371 -21.323 -3.994 1.00 31.13 O ATOM 1200 CB ARG B 670 -8.339 -18.540 -4.775 1.00 12.55 C ATOM 1201 CG ARG B 670 -8.449 -17.216 -5.513 1.00 41.40 C ATOM 1202 CD ARG B 670 -8.401 -17.413 -7.021 1.00 51.42 C ATOM 1203 NE ARG B 670 -9.203 -18.557 -7.448 1.00 51.25 N ATOM 1204 CZ ARG B 670 -9.030 -19.185 -8.606 1.00 1.01 C ATOM 1205 NH1 ARG B 670 -8.088 -18.782 -9.448 1.00 31.13 N ATOM 1206 NH2 ARG B 670 -9.799 -20.218 -8.924 1.00 22.42 N ATOM 0 H ARG B 670 -9.359 -17.639 -2.669 1.00 34.23 H new ATOM 0 HA ARG B 670 -10.427 -19.009 -4.985 1.00 32.23 H new ATOM 0 HB2 ARG B 670 -7.620 -18.435 -3.963 1.00 12.55 H new ATOM 0 HB3 ARG B 670 -7.943 -19.294 -5.456 1.00 12.55 H new ATOM 0 HG2 ARG B 670 -9.381 -16.722 -5.239 1.00 41.40 H new ATOM 0 HG3 ARG B 670 -7.637 -16.558 -5.205 1.00 41.40 H new ATOM 0 HD2 ARG B 670 -8.762 -16.512 -7.516 1.00 51.42 H new ATOM 0 HD3 ARG B 670 -7.367 -17.557 -7.335 1.00 51.42 H new ATOM 0 HE ARG B 670 -9.936 -18.892 -6.823 1.00 51.25 H new ATOM 0 HH11 ARG B 670 -7.494 -17.988 -9.207 1.00 31.13 H new ATOM 0 HH12 ARG B 670 -7.957 -19.266 -10.336 1.00 31.13 H new ATOM 0 HH21 ARG B 670 -10.525 -20.531 -8.279 1.00 22.42 H new ATOM 0 HH22 ARG B 670 -9.665 -20.699 -9.813 1.00 22.42 H new ATOM 1220 N HIS B 671 -8.439 -20.743 -2.995 1.00 65.00 N ATOM 1221 CA HIS B 671 -8.181 -22.080 -2.472 1.00 73.52 C ATOM 1222 C HIS B 671 -7.595 -22.008 -1.065 1.00 52.53 C ATOM 1223 O HIS B 671 -7.018 -22.979 -0.573 1.00 31.14 O ATOM 1224 CB HIS B 671 -7.226 -22.836 -3.397 1.00 23.20 C ATOM 1225 CG HIS B 671 -7.424 -24.321 -3.378 1.00 13.33 C ATOM 1226 ND1 HIS B 671 -6.525 -25.192 -2.802 1.00 71.23 N ATOM 1227 CD2 HIS B 671 -8.428 -25.086 -3.865 1.00 3.13 C ATOM 1228 CE1 HIS B 671 -6.965 -26.430 -2.938 1.00 65.13 C ATOM 1229 NE2 HIS B 671 -8.120 -26.394 -3.580 1.00 34.51 N ATOM 0 H HIS B 671 -7.726 -20.053 -2.758 1.00 65.00 H new ATOM 0 HA HIS B 671 -9.129 -22.615 -2.425 1.00 73.52 H new ATOM 0 HB2 HIS B 671 -7.357 -22.473 -4.416 1.00 23.20 H new ATOM 0 HB3 HIS B 671 -6.199 -22.611 -3.108 1.00 23.20 H new ATOM 0 HD2 HIS B 671 -9.308 -24.734 -4.382 1.00 3.13 H new ATOM 0 HE1 HIS B 671 -6.466 -27.320 -2.585 1.00 65.13 H new ATOM 0 HE2 HIS B 671 -8.689 -27.205 -3.824 1.00 34.51 H new ATOM 1237 N HIS B 672 -7.748 -20.855 -0.424 1.00 74.33 N ATOM 1238 CA HIS B 672 -7.234 -20.657 0.927 1.00 54.34 C ATOM 1239 C HIS B 672 -8.367 -20.343 1.900 1.00 3.01 C ATOM 1240 O HIS B 672 -8.183 -19.600 2.863 1.00 12.41 O ATOM 1241 CB HIS B 672 -6.203 -19.528 0.944 1.00 12.42 C ATOM 1242 CG HIS B 672 -4.817 -19.976 0.595 1.00 1.01 C ATOM 1243 ND1 HIS B 672 -4.552 -21.158 -0.064 1.00 23.52 N ATOM 1244 CD2 HIS B 672 -3.617 -19.392 0.816 1.00 74.42 C ATOM 1245 CE1 HIS B 672 -3.248 -21.282 -0.232 1.00 45.03 C ATOM 1246 NE2 HIS B 672 -2.657 -20.224 0.293 1.00 62.32 N ATOM 0 H HIS B 672 -8.224 -20.043 -0.818 1.00 74.33 H new ATOM 0 HA HIS B 672 -6.753 -21.582 1.244 1.00 54.34 H new ATOM 0 HB2 HIS B 672 -6.513 -18.754 0.242 1.00 12.42 H new ATOM 0 HB3 HIS B 672 -6.190 -19.074 1.935 1.00 12.42 H new ATOM 0 HD2 HIS B 672 -3.446 -18.448 1.311 1.00 74.42 H new ATOM 0 HE1 HIS B 672 -2.749 -22.108 -0.717 1.00 45.03 H new ATOM 0 HE2 HIS B 672 -1.652 -20.053 0.308 1.00 62.32 H new ATOM 1254 N HIS B 673 -9.539 -20.914 1.639 1.00 1.02 N ATOM 1255 CA HIS B 673 -10.702 -20.694 2.491 1.00 5.23 C ATOM 1256 C HIS B 673 -10.502 -21.336 3.860 1.00 44.10 C ATOM 1257 O HIS B 673 -11.089 -20.902 4.853 1.00 64.14 O ATOM 1258 CB HIS B 673 -11.959 -21.258 1.829 1.00 44.04 C ATOM 1259 CG HIS B 673 -13.233 -20.796 2.468 1.00 71.23 C ATOM 1260 ND1 HIS B 673 -13.626 -19.475 2.492 1.00 64.31 N ATOM 1261 CD2 HIS B 673 -14.204 -21.487 3.108 1.00 43.24 C ATOM 1262 CE1 HIS B 673 -14.783 -19.373 3.120 1.00 43.24 C ATOM 1263 NE2 HIS B 673 -15.156 -20.581 3.503 1.00 13.12 N ATOM 0 H HIS B 673 -9.708 -21.532 0.845 1.00 1.02 H new ATOM 0 HA HIS B 673 -10.823 -19.619 2.628 1.00 5.23 H new ATOM 0 HB2 HIS B 673 -11.965 -20.971 0.777 1.00 44.04 H new ATOM 0 HB3 HIS B 673 -11.920 -22.347 1.862 1.00 44.04 H new ATOM 0 HD2 HIS B 673 -14.226 -22.554 3.277 1.00 43.24 H new ATOM 0 HE1 HIS B 673 -15.331 -18.458 3.291 1.00 43.24 H new ATOM 0 HE2 HIS B 673 -16.013 -20.804 4.010 1.00 13.12 H new ATOM 1271 N HIS B 674 -9.671 -22.372 3.907 1.00 32.52 N ATOM 1272 CA HIS B 674 -9.393 -23.074 5.155 1.00 52.34 C ATOM 1273 C HIS B 674 -8.920 -22.102 6.232 1.00 21.14 C ATOM 1274 O HIS B 674 -8.242 -21.116 5.940 1.00 64.55 O ATOM 1275 CB HIS B 674 -8.337 -24.157 4.931 1.00 50.31 C ATOM 1276 CG HIS B 674 -8.911 -25.475 4.508 1.00 25.22 C ATOM 1277 ND1 HIS B 674 -8.599 -26.080 3.309 1.00 40.40 N ATOM 1278 CD2 HIS B 674 -9.782 -26.302 5.130 1.00 2.31 C ATOM 1279 CE1 HIS B 674 -9.254 -27.224 3.212 1.00 71.44 C ATOM 1280 NE2 HIS B 674 -9.978 -27.382 4.305 1.00 1.53 N ATOM 0 H HIS B 674 -9.178 -22.744 3.095 1.00 32.52 H new ATOM 0 HA HIS B 674 -10.318 -23.542 5.493 1.00 52.34 H new ATOM 0 HB2 HIS B 674 -7.634 -23.816 4.171 1.00 50.31 H new ATOM 0 HB3 HIS B 674 -7.770 -24.296 5.851 1.00 50.31 H new ATOM 0 HD2 HIS B 674 -10.238 -26.143 6.096 1.00 2.31 H new ATOM 0 HE1 HIS B 674 -9.205 -27.912 2.381 1.00 71.44 H new ATOM 0 HE2 HIS B 674 -10.585 -28.177 4.504 1.00 1.53 H new ATOM 1288 N HIS B 675 -9.284 -22.385 7.478 1.00 11.45 N ATOM 1289 CA HIS B 675 -8.898 -21.535 8.600 1.00 44.11 C ATOM 1290 C HIS B 675 -8.345 -22.370 9.750 1.00 43.44 C ATOM 1291 O HIS B 675 -8.781 -22.236 10.894 1.00 73.41 O ATOM 1292 CB HIS B 675 -10.095 -20.713 9.080 1.00 21.12 C ATOM 1293 CG HIS B 675 -9.719 -19.366 9.617 1.00 42.24 C ATOM 1294 ND1 HIS B 675 -9.751 -19.057 10.960 1.00 14.11 N ATOM 1295 CD2 HIS B 675 -9.300 -18.245 8.984 1.00 52.43 C ATOM 1296 CE1 HIS B 675 -9.369 -17.803 11.130 1.00 20.11 C ATOM 1297 NE2 HIS B 675 -9.090 -17.289 9.946 1.00 12.12 N ATOM 0 H HIS B 675 -9.846 -23.196 7.737 1.00 11.45 H new ATOM 0 HA HIS B 675 -8.115 -20.858 8.258 1.00 44.11 H new ATOM 0 HB2 HIS B 675 -10.792 -20.583 8.252 1.00 21.12 H new ATOM 0 HB3 HIS B 675 -10.621 -21.270 9.855 1.00 21.12 H new ATOM 0 HD2 HIS B 675 -9.158 -18.125 7.920 1.00 52.43 H new ATOM 0 HE1 HIS B 675 -9.297 -17.287 12.076 1.00 20.11 H new ATOM 0 HE2 HIS B 675 -8.770 -16.336 9.774 1.00 12.12 H new ATOM 1305 N HIS B 676 -7.385 -23.235 9.438 1.00 13.02 N ATOM 1306 CA HIS B 676 -6.772 -24.093 10.447 1.00 43.20 C ATOM 1307 C HIS B 676 -5.251 -23.991 10.395 1.00 15.14 C ATOM 1308 O HIS B 676 -4.572 -24.183 11.406 1.00 1.30 O ATOM 1309 CB HIS B 676 -7.205 -25.546 10.242 1.00 21.14 C ATOM 1310 CG HIS B 676 -8.190 -26.027 11.262 1.00 4.12 C ATOM 1311 ND1 HIS B 676 -7.925 -26.047 12.614 1.00 71.44 N ATOM 1312 CD2 HIS B 676 -9.448 -26.505 11.120 1.00 44.41 C ATOM 1313 CE1 HIS B 676 -8.975 -26.520 13.260 1.00 21.34 C ATOM 1314 NE2 HIS B 676 -9.914 -26.804 12.377 1.00 45.33 N ATOM 0 H HIS B 676 -7.015 -23.361 8.496 1.00 13.02 H new ATOM 0 HA HIS B 676 -7.108 -23.756 11.428 1.00 43.20 H new ATOM 0 HB2 HIS B 676 -7.643 -25.649 9.249 1.00 21.14 H new ATOM 0 HB3 HIS B 676 -6.324 -26.187 10.270 1.00 21.14 H new ATOM 0 HD2 HIS B 676 -9.985 -26.628 10.191 1.00 44.41 H new ATOM 0 HE1 HIS B 676 -9.052 -26.652 14.329 1.00 21.34 H new ATOM 0 HE2 HIS B 676 -10.836 -27.184 12.593 1.00 45.33 H new TER 1322 HIS B 676