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 Set 1.1: A 641 HIS : no HE2:sc= -1.84 X(o=-2.8,f=-3.2) USER MOD Set 1.2: B 641 HIS : no HD1:sc= -0.913 K(o=-2.8,f=-3.6) 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 643 THR OG1 : rot 86:sc= 0.343 USER MOD Single : A 644 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 647 THR OG1 : rot 69:sc= 0.535 USER MOD Single : A 657 MET CE :methyl -110:sc= -0.774 (180deg=-5.32!) USER MOD Single : A 658 MET CE :methyl -148:sc= -2.12 (180deg=-4.07!) USER MOD Single : A 662 THR OG1 : rot 78:sc= 1.16 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 671 HIS : no HD1:sc= -0.66 X(o=-0.66,f=-0.4) USER MOD Single : A 672 HIS : no HD1:sc= -0.0262 X(o=-0.026,f=0) USER MOD Single : A 673 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.014) USER MOD Single : A 674 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.34) USER MOD Single : A 675 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 676 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 637 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 640 THR OG1 : rot 180:sc= 0 USER MOD Single : B 643 THR OG1 : rot 86:sc= 0.366 USER MOD Single : B 644 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 647 THR OG1 : rot 68:sc= 0.475 USER MOD Single : B 657 MET CE :methyl -115:sc= -0.769 (180deg=-5.2!) USER MOD Single : B 658 MET CE :methyl -151:sc= -2.15! (180deg=-4.2!) USER MOD Single : B 662 THR OG1 : rot 81:sc= 1.14 USER MOD Single : B 665 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.3) USER MOD Single : B 672 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : B 673 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 674 HIS : no HD1:sc= -0.23 X(o=-0.23,f=0) USER MOD Single : B 675 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 676 HIS : no HD1:sc= -0.0904 X(o=-0.09,f=-0.0081) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 637 1.994 26.900 14.243 1.00 21.11 N ATOM 2 CA MET A 637 1.400 26.261 13.075 1.00 41.32 C ATOM 3 C MET A 637 1.619 27.103 11.822 1.00 71.34 C ATOM 4 O MET A 637 1.853 28.308 11.906 1.00 14.03 O ATOM 5 CB MET A 637 -0.098 26.037 13.296 1.00 41.23 C ATOM 6 CG MET A 637 -0.861 27.310 13.622 1.00 54.40 C ATOM 7 SD MET A 637 -1.489 28.140 12.150 1.00 22.10 S ATOM 8 CE MET A 637 -3.073 28.730 12.743 1.00 55.53 C ATOM 0 HA MET A 637 1.888 25.297 12.933 1.00 41.32 H new ATOM 0 HB2 MET A 637 -0.526 25.586 12.400 1.00 41.23 H new ATOM 0 HB3 MET A 637 -0.234 25.323 14.108 1.00 41.23 H new ATOM 0 HG2 MET A 637 -1.694 27.070 14.283 1.00 54.40 H new ATOM 0 HG3 MET A 637 -0.208 27.991 14.167 1.00 54.40 H new ATOM 0 HE1 MET A 637 -3.584 29.266 11.943 1.00 55.53 H new ATOM 0 HE2 MET A 637 -3.682 27.883 13.059 1.00 55.53 H new ATOM 0 HE3 MET A 637 -2.918 29.400 13.588 1.00 55.53 H new ATOM 18 N GLY A 638 1.545 26.460 10.661 1.00 25.34 N ATOM 19 CA GLY A 638 1.739 27.167 9.407 1.00 53.42 C ATOM 20 C GLY A 638 2.555 26.367 8.412 1.00 60.10 C ATOM 21 O GLY A 638 2.044 25.951 7.371 1.00 35.31 O ATOM 0 H GLY A 638 1.354 25.463 10.566 1.00 25.34 H new ATOM 0 HA2 GLY A 638 0.768 27.401 8.971 1.00 53.42 H new ATOM 0 HA3 GLY A 638 2.238 28.116 9.602 1.00 53.42 H new ATOM 25 N ARG A 639 3.828 26.151 8.730 1.00 3.31 N ATOM 26 CA ARG A 639 4.717 25.398 7.853 1.00 10.53 C ATOM 27 C ARG A 639 5.262 24.163 8.563 1.00 74.42 C ATOM 28 O ARG A 639 5.859 23.286 7.938 1.00 65.14 O ATOM 29 CB ARG A 639 5.873 26.282 7.383 1.00 33.01 C ATOM 30 CG ARG A 639 5.585 27.028 6.090 1.00 52.43 C ATOM 31 CD ARG A 639 4.712 28.249 6.334 1.00 34.42 C ATOM 32 NE ARG A 639 5.157 29.403 5.557 1.00 44.23 N ATOM 33 CZ ARG A 639 6.243 30.110 5.847 1.00 31.44 C ATOM 34 NH1 ARG A 639 6.992 29.783 6.891 1.00 22.33 N ATOM 35 NH2 ARG A 639 6.582 31.147 5.092 1.00 61.31 N ATOM 0 H ARG A 639 4.266 26.487 9.588 1.00 3.31 H new ATOM 0 HA ARG A 639 4.142 25.073 6.986 1.00 10.53 H new ATOM 0 HB2 ARG A 639 6.107 27.005 8.165 1.00 33.01 H new ATOM 0 HB3 ARG A 639 6.759 25.663 7.245 1.00 33.01 H new ATOM 0 HG2 ARG A 639 6.524 27.337 5.630 1.00 52.43 H new ATOM 0 HG3 ARG A 639 5.089 26.360 5.386 1.00 52.43 H new ATOM 0 HD2 ARG A 639 3.679 28.014 6.076 1.00 34.42 H new ATOM 0 HD3 ARG A 639 4.726 28.499 7.395 1.00 34.42 H new ATOM 0 HE ARG A 639 4.603 29.681 4.747 1.00 44.23 H new ATOM 0 HH11 ARG A 639 6.735 28.986 7.474 1.00 22.33 H new ATOM 0 HH12 ARG A 639 7.826 30.328 7.111 1.00 22.33 H new ATOM 0 HH21 ARG A 639 6.008 31.402 4.288 1.00 61.31 H new ATOM 0 HH22 ARG A 639 7.416 31.689 5.316 1.00 61.31 H new ATOM 49 N THR A 640 5.054 24.100 9.875 1.00 35.12 N ATOM 50 CA THR A 640 5.526 22.974 10.671 1.00 22.31 C ATOM 51 C THR A 640 4.628 21.757 10.488 1.00 51.12 C ATOM 52 O THR A 640 5.088 20.617 10.559 1.00 50.45 O ATOM 53 CB THR A 640 5.590 23.332 12.168 1.00 1.54 C ATOM 54 OG1 THR A 640 6.476 24.437 12.370 1.00 31.32 O ATOM 55 CG2 THR A 640 6.059 22.141 12.990 1.00 61.52 C ATOM 0 H THR A 640 4.561 24.816 10.409 1.00 35.12 H new ATOM 0 HA THR A 640 6.530 22.737 10.319 1.00 22.31 H new ATOM 0 HB THR A 640 4.588 23.607 12.496 1.00 1.54 H new ATOM 0 HG1 THR A 640 6.510 24.659 13.324 1.00 31.32 H new ATOM 0 HG21 THR A 640 6.096 22.418 14.044 1.00 61.52 H new ATOM 0 HG22 THR A 640 5.365 21.311 12.857 1.00 61.52 H new ATOM 0 HG23 THR A 640 7.053 21.839 12.659 1.00 61.52 H new ATOM 63 N HIS A 641 3.343 22.006 10.252 1.00 43.23 N ATOM 64 CA HIS A 641 2.380 20.928 10.057 1.00 14.43 C ATOM 65 C HIS A 641 2.713 20.120 8.807 1.00 52.43 C ATOM 66 O HIS A 641 2.180 19.028 8.600 1.00 12.03 O ATOM 67 CB HIS A 641 0.964 21.495 9.949 1.00 11.55 C ATOM 68 CG HIS A 641 0.675 22.139 8.628 1.00 70.11 C ATOM 69 ND1 HIS A 641 1.621 22.840 7.911 1.00 73.40 N ATOM 70 CD2 HIS A 641 -0.461 22.185 7.894 1.00 53.33 C ATOM 71 CE1 HIS A 641 1.079 23.291 6.793 1.00 54.44 C ATOM 72 NE2 HIS A 641 -0.184 22.905 6.759 1.00 1.24 N ATOM 0 H HIS A 641 2.945 22.943 10.191 1.00 43.23 H new ATOM 0 HA HIS A 641 2.434 20.266 10.921 1.00 14.43 H new ATOM 0 HB2 HIS A 641 0.246 20.692 10.117 1.00 11.55 H new ATOM 0 HB3 HIS A 641 0.814 22.228 10.742 1.00 11.55 H new ATOM 0 HD1 HIS A 641 2.588 22.988 8.198 1.00 73.40 H new ATOM 0 HD2 HIS A 641 -1.409 21.738 8.153 1.00 53.33 H new ATOM 0 HE1 HIS A 641 1.582 23.875 6.037 1.00 54.44 H new ATOM 80 N LEU A 642 3.596 20.662 7.977 1.00 43.14 N ATOM 81 CA LEU A 642 4.001 19.991 6.745 1.00 34.43 C ATOM 82 C LEU A 642 4.859 18.768 7.049 1.00 42.24 C ATOM 83 O LEU A 642 4.818 17.772 6.325 1.00 51.30 O ATOM 84 CB LEU A 642 4.771 20.959 5.845 1.00 44.33 C ATOM 85 CG LEU A 642 3.922 21.877 4.964 1.00 33.32 C ATOM 86 CD1 LEU A 642 4.683 23.151 4.632 1.00 35.21 C ATOM 87 CD2 LEU A 642 3.502 21.157 3.691 1.00 10.12 C ATOM 0 H LEU A 642 4.046 21.564 8.133 1.00 43.14 H new ATOM 0 HA LEU A 642 3.101 19.660 6.226 1.00 34.43 H new ATOM 0 HB2 LEU A 642 5.408 21.580 6.475 1.00 44.33 H new ATOM 0 HB3 LEU A 642 5.430 20.378 5.200 1.00 44.33 H new ATOM 0 HG LEU A 642 3.023 22.149 5.517 1.00 33.32 H new ATOM 0 HD11 LEU A 642 4.063 23.792 4.005 1.00 35.21 H new ATOM 0 HD12 LEU A 642 4.932 23.677 5.554 1.00 35.21 H new ATOM 0 HD13 LEU A 642 5.600 22.899 4.099 1.00 35.21 H new ATOM 0 HD21 LEU A 642 2.899 21.826 3.077 1.00 10.12 H new ATOM 0 HD22 LEU A 642 4.389 20.855 3.134 1.00 10.12 H new ATOM 0 HD23 LEU A 642 2.917 20.274 3.948 1.00 10.12 H new ATOM 99 N THR A 643 5.636 18.848 8.125 1.00 45.02 N ATOM 100 CA THR A 643 6.504 17.747 8.525 1.00 23.01 C ATOM 101 C THR A 643 5.696 16.487 8.811 1.00 2.50 C ATOM 102 O THR A 643 5.962 15.426 8.247 1.00 52.03 O ATOM 103 CB THR A 643 7.330 18.109 9.773 1.00 71.33 C ATOM 104 OG1 THR A 643 7.740 19.479 9.710 1.00 4.24 O ATOM 105 CG2 THR A 643 8.555 17.214 9.888 1.00 72.01 C ATOM 0 H THR A 643 5.682 19.664 8.735 1.00 45.02 H new ATOM 0 HA THR A 643 7.182 17.559 7.692 1.00 23.01 H new ATOM 0 HB THR A 643 6.704 17.958 10.652 1.00 71.33 H new ATOM 0 HG1 THR A 643 7.034 20.049 10.080 1.00 4.24 H new ATOM 0 HG21 THR A 643 9.124 17.488 10.777 1.00 72.01 H new ATOM 0 HG22 THR A 643 8.239 16.174 9.965 1.00 72.01 H new ATOM 0 HG23 THR A 643 9.181 17.339 9.004 1.00 72.01 H new ATOM 113 N MET A 644 4.707 16.611 9.691 1.00 52.11 N ATOM 114 CA MET A 644 3.860 15.480 10.050 1.00 15.35 C ATOM 115 C MET A 644 3.065 14.991 8.844 1.00 45.53 C ATOM 116 O MET A 644 3.037 13.797 8.551 1.00 63.23 O ATOM 117 CB MET A 644 2.905 15.871 11.180 1.00 15.12 C ATOM 118 CG MET A 644 3.583 15.986 12.536 1.00 2.12 C ATOM 119 SD MET A 644 2.411 15.927 13.906 1.00 72.25 S ATOM 120 CE MET A 644 1.627 17.530 13.750 1.00 31.12 C ATOM 0 H MET A 644 4.473 17.482 10.168 1.00 52.11 H new ATOM 0 HA MET A 644 4.504 14.669 10.391 1.00 15.35 H new ATOM 0 HB2 MET A 644 2.436 16.824 10.935 1.00 15.12 H new ATOM 0 HB3 MET A 644 2.107 15.131 11.243 1.00 15.12 H new ATOM 0 HG2 MET A 644 4.306 15.178 12.646 1.00 2.12 H new ATOM 0 HG3 MET A 644 4.141 16.921 12.581 1.00 2.12 H new ATOM 0 HE1 MET A 644 0.874 17.644 14.530 1.00 31.12 H new ATOM 0 HE2 MET A 644 2.378 18.314 13.852 1.00 31.12 H new ATOM 0 HE3 MET A 644 1.151 17.609 12.773 1.00 31.12 H new ATOM 130 N ALA A 645 2.420 15.922 8.149 1.00 2.41 N ATOM 131 CA ALA A 645 1.625 15.586 6.974 1.00 62.45 C ATOM 132 C ALA A 645 2.476 14.885 5.919 1.00 21.13 C ATOM 133 O ALA A 645 2.038 13.918 5.295 1.00 55.22 O ATOM 134 CB ALA A 645 0.986 16.838 6.393 1.00 63.34 C ATOM 0 H ALA A 645 2.432 16.916 8.379 1.00 2.41 H new ATOM 0 HA ALA A 645 0.836 14.900 7.283 1.00 62.45 H new ATOM 0 HB1 ALA A 645 0.396 16.572 5.516 1.00 63.34 H new ATOM 0 HB2 ALA A 645 0.339 17.297 7.141 1.00 63.34 H new ATOM 0 HB3 ALA A 645 1.765 17.544 6.105 1.00 63.34 H new ATOM 140 N LEU A 646 3.694 15.379 5.724 1.00 14.11 N ATOM 141 CA LEU A 646 4.606 14.801 4.744 1.00 1.01 C ATOM 142 C LEU A 646 4.925 13.350 5.087 1.00 71.23 C ATOM 143 O LEU A 646 4.939 12.481 4.214 1.00 31.32 O ATOM 144 CB LEU A 646 5.898 15.618 4.677 1.00 73.45 C ATOM 145 CG LEU A 646 5.882 16.824 3.738 1.00 12.33 C ATOM 146 CD1 LEU A 646 6.837 17.899 4.234 1.00 63.55 C ATOM 147 CD2 LEU A 646 6.239 16.402 2.321 1.00 3.52 C ATOM 0 H LEU A 646 4.072 16.179 6.232 1.00 14.11 H new ATOM 0 HA LEU A 646 4.117 14.825 3.770 1.00 1.01 H new ATOM 0 HB2 LEU A 646 6.135 15.968 5.682 1.00 73.45 H new ATOM 0 HB3 LEU A 646 6.708 14.955 4.371 1.00 73.45 H new ATOM 0 HG LEU A 646 4.874 17.239 3.728 1.00 12.33 H new ATOM 0 HD11 LEU A 646 6.812 18.750 3.553 1.00 63.55 H new ATOM 0 HD12 LEU A 646 6.535 18.222 5.230 1.00 63.55 H new ATOM 0 HD13 LEU A 646 7.849 17.496 4.275 1.00 63.55 H new ATOM 0 HD21 LEU A 646 6.223 17.274 1.667 1.00 3.52 H new ATOM 0 HD22 LEU A 646 7.236 15.961 2.313 1.00 3.52 H new ATOM 0 HD23 LEU A 646 5.515 15.668 1.966 1.00 3.52 H new ATOM 159 N THR A 647 5.180 13.092 6.367 1.00 63.34 N ATOM 160 CA THR A 647 5.498 11.745 6.826 1.00 0.14 C ATOM 161 C THR A 647 4.352 10.782 6.539 1.00 34.23 C ATOM 162 O THR A 647 4.570 9.663 6.073 1.00 24.02 O ATOM 163 CB THR A 647 5.806 11.725 8.336 1.00 64.31 C ATOM 164 OG1 THR A 647 6.885 12.620 8.627 1.00 61.20 O ATOM 165 CG2 THR A 647 6.167 10.320 8.795 1.00 4.14 C ATOM 0 H THR A 647 5.172 13.798 7.103 1.00 63.34 H new ATOM 0 HA THR A 647 6.384 11.424 6.278 1.00 0.14 H new ATOM 0 HB THR A 647 4.913 12.047 8.872 1.00 64.31 H new ATOM 0 HG1 THR A 647 6.586 13.545 8.501 1.00 61.20 H new ATOM 0 HG21 THR A 647 6.380 10.330 9.864 1.00 4.14 H new ATOM 0 HG22 THR A 647 5.332 9.647 8.598 1.00 4.14 H new ATOM 0 HG23 THR A 647 7.047 9.975 8.253 1.00 4.14 H new ATOM 173 N VAL A 648 3.130 11.223 6.822 1.00 51.52 N ATOM 174 CA VAL A 648 1.949 10.399 6.593 1.00 41.54 C ATOM 175 C VAL A 648 1.819 10.021 5.121 1.00 32.24 C ATOM 176 O VAL A 648 1.652 8.850 4.783 1.00 70.21 O ATOM 177 CB VAL A 648 0.665 11.122 7.042 1.00 40.04 C ATOM 178 CG1 VAL A 648 -0.563 10.294 6.697 1.00 55.35 C ATOM 179 CG2 VAL A 648 0.717 11.421 8.532 1.00 3.25 C ATOM 0 H VAL A 648 2.932 12.145 7.210 1.00 51.52 H new ATOM 0 HA VAL A 648 2.074 9.494 7.187 1.00 41.54 H new ATOM 0 HB VAL A 648 0.595 12.069 6.507 1.00 40.04 H new ATOM 0 HG11 VAL A 648 -1.460 10.821 7.022 1.00 55.35 H new ATOM 0 HG12 VAL A 648 -0.605 10.137 5.619 1.00 55.35 H new ATOM 0 HG13 VAL A 648 -0.506 9.330 7.202 1.00 55.35 H new ATOM 0 HG21 VAL A 648 -0.198 11.932 8.833 1.00 3.25 H new ATOM 0 HG22 VAL A 648 0.811 10.488 9.087 1.00 3.25 H new ATOM 0 HG23 VAL A 648 1.575 12.058 8.746 1.00 3.25 H new ATOM 189 N ILE A 649 1.897 11.022 4.251 1.00 5.05 N ATOM 190 CA ILE A 649 1.789 10.795 2.815 1.00 33.12 C ATOM 191 C ILE A 649 2.858 9.821 2.331 1.00 31.12 C ATOM 192 O ILE A 649 2.558 8.853 1.633 1.00 62.51 O ATOM 193 CB ILE A 649 1.915 12.112 2.025 1.00 75.02 C ATOM 194 CG1 ILE A 649 0.785 13.071 2.406 1.00 74.10 C ATOM 195 CG2 ILE A 649 1.902 11.836 0.530 1.00 23.32 C ATOM 196 CD1 ILE A 649 0.850 14.398 1.682 1.00 50.51 C ATOM 0 H ILE A 649 2.035 11.998 4.515 1.00 5.05 H new ATOM 0 HA ILE A 649 0.803 10.367 2.637 1.00 33.12 H new ATOM 0 HB ILE A 649 2.865 12.582 2.279 1.00 75.02 H new ATOM 0 HG12 ILE A 649 -0.172 12.596 2.192 1.00 74.10 H new ATOM 0 HG13 ILE A 649 0.818 13.250 3.481 1.00 74.10 H new ATOM 0 HG21 ILE A 649 1.992 12.776 -0.014 1.00 23.32 H new ATOM 0 HG22 ILE A 649 2.739 11.186 0.273 1.00 23.32 H new ATOM 0 HG23 ILE A 649 0.966 11.347 0.258 1.00 23.32 H new ATOM 0 HD11 ILE A 649 0.019 15.027 2.001 1.00 50.51 H new ATOM 0 HD12 ILE A 649 1.792 14.894 1.916 1.00 50.51 H new ATOM 0 HD13 ILE A 649 0.786 14.229 0.607 1.00 50.51 H new ATOM 208 N ALA A 650 4.104 10.083 2.709 1.00 70.41 N ATOM 209 CA ALA A 650 5.217 9.228 2.317 1.00 65.42 C ATOM 210 C ALA A 650 5.050 7.819 2.876 1.00 61.50 C ATOM 211 O ALA A 650 5.324 6.833 2.193 1.00 42.33 O ATOM 212 CB ALA A 650 6.535 9.830 2.782 1.00 43.22 C ATOM 0 H ALA A 650 4.368 10.881 3.287 1.00 70.41 H new ATOM 0 HA ALA A 650 5.225 9.160 1.229 1.00 65.42 H new ATOM 0 HB1 ALA A 650 7.357 9.181 2.482 1.00 43.22 H new ATOM 0 HB2 ALA A 650 6.666 10.813 2.330 1.00 43.22 H new ATOM 0 HB3 ALA A 650 6.527 9.928 3.868 1.00 43.22 H new ATOM 218 N GLY A 651 4.601 7.732 4.124 1.00 34.05 N ATOM 219 CA GLY A 651 4.406 6.440 4.755 1.00 30.41 C ATOM 220 C GLY A 651 3.482 5.541 3.960 1.00 5.40 C ATOM 221 O GLY A 651 3.815 4.389 3.677 1.00 64.32 O ATOM 0 H GLY A 651 4.369 8.534 4.710 1.00 34.05 H new ATOM 0 HA2 GLY A 651 5.371 5.948 4.875 1.00 30.41 H new ATOM 0 HA3 GLY A 651 3.996 6.585 5.754 1.00 30.41 H new ATOM 225 N LEU A 652 2.315 6.064 3.600 1.00 50.22 N ATOM 226 CA LEU A 652 1.337 5.299 2.834 1.00 4.04 C ATOM 227 C LEU A 652 1.904 4.893 1.478 1.00 61.23 C ATOM 228 O LEU A 652 1.844 3.726 1.092 1.00 52.31 O ATOM 229 CB LEU A 652 0.059 6.118 2.640 1.00 24.30 C ATOM 230 CG LEU A 652 -0.642 6.581 3.917 1.00 23.31 C ATOM 231 CD1 LEU A 652 -1.760 7.559 3.588 1.00 51.10 C ATOM 232 CD2 LEU A 652 -1.185 5.389 4.690 1.00 54.41 C ATOM 0 H LEU A 652 2.023 7.015 3.826 1.00 50.22 H new ATOM 0 HA LEU A 652 1.101 4.394 3.394 1.00 4.04 H new ATOM 0 HB2 LEU A 652 0.302 6.997 2.044 1.00 24.30 H new ATOM 0 HB3 LEU A 652 -0.645 5.523 2.058 1.00 24.30 H new ATOM 0 HG LEU A 652 0.088 7.093 4.544 1.00 23.31 H new ATOM 0 HD11 LEU A 652 -2.248 7.878 4.509 1.00 51.10 H new ATOM 0 HD12 LEU A 652 -1.345 8.428 3.078 1.00 51.10 H new ATOM 0 HD13 LEU A 652 -2.490 7.073 2.941 1.00 51.10 H new ATOM 0 HD21 LEU A 652 -1.681 5.738 5.596 1.00 54.41 H new ATOM 0 HD22 LEU A 652 -1.900 4.849 4.070 1.00 54.41 H new ATOM 0 HD23 LEU A 652 -0.364 4.725 4.959 1.00 54.41 H new ATOM 244 N VAL A 653 2.460 5.864 0.759 1.00 1.11 N ATOM 245 CA VAL A 653 3.043 5.606 -0.552 1.00 4.54 C ATOM 246 C VAL A 653 4.050 4.465 -0.492 1.00 51.34 C ATOM 247 O VAL A 653 3.995 3.530 -1.291 1.00 61.54 O ATOM 248 CB VAL A 653 3.737 6.862 -1.113 1.00 44.44 C ATOM 249 CG1 VAL A 653 4.591 6.503 -2.321 1.00 33.43 C ATOM 250 CG2 VAL A 653 2.709 7.923 -1.473 1.00 71.34 C ATOM 0 H VAL A 653 2.519 6.836 1.063 1.00 1.11 H new ATOM 0 HA VAL A 653 2.223 5.326 -1.214 1.00 4.54 H new ATOM 0 HB VAL A 653 4.391 7.271 -0.343 1.00 44.44 H new ATOM 0 HG11 VAL A 653 5.074 7.401 -2.705 1.00 33.43 H new ATOM 0 HG12 VAL A 653 5.351 5.780 -2.027 1.00 33.43 H new ATOM 0 HG13 VAL A 653 3.960 6.071 -3.097 1.00 33.43 H new ATOM 0 HG21 VAL A 653 3.217 8.803 -1.868 1.00 71.34 H new ATOM 0 HG22 VAL A 653 2.028 7.529 -2.227 1.00 71.34 H new ATOM 0 HG23 VAL A 653 2.144 8.199 -0.583 1.00 71.34 H new ATOM 260 N VAL A 654 4.972 4.546 0.464 1.00 4.15 N ATOM 261 CA VAL A 654 5.993 3.518 0.631 1.00 3.45 C ATOM 262 C VAL A 654 5.362 2.153 0.875 1.00 52.43 C ATOM 263 O VAL A 654 5.857 1.133 0.392 1.00 30.23 O ATOM 264 CB VAL A 654 6.937 3.852 1.799 1.00 34.30 C ATOM 265 CG1 VAL A 654 7.963 2.744 1.991 1.00 3.22 C ATOM 266 CG2 VAL A 654 7.624 5.189 1.565 1.00 41.42 C ATOM 0 H VAL A 654 5.032 5.313 1.134 1.00 4.15 H new ATOM 0 HA VAL A 654 6.569 3.488 -0.294 1.00 3.45 H new ATOM 0 HB VAL A 654 6.344 3.929 2.710 1.00 34.30 H new ATOM 0 HG11 VAL A 654 8.622 2.998 2.821 1.00 3.22 H new ATOM 0 HG12 VAL A 654 7.450 1.807 2.208 1.00 3.22 H new ATOM 0 HG13 VAL A 654 8.553 2.633 1.081 1.00 3.22 H new ATOM 0 HG21 VAL A 654 8.288 5.408 2.401 1.00 41.42 H new ATOM 0 HG22 VAL A 654 8.204 5.143 0.644 1.00 41.42 H new ATOM 0 HG23 VAL A 654 6.873 5.974 1.482 1.00 41.42 H new ATOM 276 N ILE A 655 4.266 2.139 1.627 1.00 43.34 N ATOM 277 CA ILE A 655 3.566 0.897 1.934 1.00 60.13 C ATOM 278 C ILE A 655 2.950 0.288 0.679 1.00 64.51 C ATOM 279 O ILE A 655 3.083 -0.910 0.428 1.00 64.24 O ATOM 280 CB ILE A 655 2.459 1.119 2.979 1.00 13.41 C ATOM 281 CG1 ILE A 655 3.068 1.543 4.318 1.00 43.53 C ATOM 282 CG2 ILE A 655 1.626 -0.144 3.146 1.00 11.13 C ATOM 283 CD1 ILE A 655 2.120 2.337 5.189 1.00 61.12 C ATOM 0 H ILE A 655 3.844 2.973 2.035 1.00 43.34 H new ATOM 0 HA ILE A 655 4.307 0.210 2.342 1.00 60.13 H new ATOM 0 HB ILE A 655 1.805 1.918 2.629 1.00 13.41 H new ATOM 0 HG12 ILE A 655 3.388 0.653 4.860 1.00 43.53 H new ATOM 0 HG13 ILE A 655 3.961 2.139 4.129 1.00 43.53 H new ATOM 0 HG21 ILE A 655 0.847 0.029 3.889 1.00 11.13 H new ATOM 0 HG22 ILE A 655 1.167 -0.406 2.193 1.00 11.13 H new ATOM 0 HG23 ILE A 655 2.267 -0.961 3.476 1.00 11.13 H new ATOM 0 HD11 ILE A 655 2.619 2.603 6.121 1.00 61.12 H new ATOM 0 HD12 ILE A 655 1.819 3.245 4.666 1.00 61.12 H new ATOM 0 HD13 ILE A 655 1.238 1.736 5.409 1.00 61.12 H new ATOM 295 N PHE A 656 2.278 1.122 -0.108 1.00 60.33 N ATOM 296 CA PHE A 656 1.643 0.665 -1.339 1.00 21.14 C ATOM 297 C PHE A 656 2.681 0.143 -2.327 1.00 72.31 C ATOM 298 O PHE A 656 2.480 -0.888 -2.968 1.00 15.52 O ATOM 299 CB PHE A 656 0.843 1.804 -1.976 1.00 43.33 C ATOM 300 CG PHE A 656 0.378 1.501 -3.372 1.00 62.01 C ATOM 301 CD1 PHE A 656 -0.023 0.221 -3.720 1.00 24.33 C ATOM 302 CD2 PHE A 656 0.341 2.497 -4.335 1.00 42.22 C ATOM 303 CE1 PHE A 656 -0.450 -0.059 -5.004 1.00 44.05 C ATOM 304 CE2 PHE A 656 -0.086 2.221 -5.621 1.00 62.03 C ATOM 305 CZ PHE A 656 -0.483 0.942 -5.956 1.00 40.42 C ATOM 0 H PHE A 656 2.159 2.117 0.084 1.00 60.33 H new ATOM 0 HA PHE A 656 0.966 -0.151 -1.088 1.00 21.14 H new ATOM 0 HB2 PHE A 656 -0.024 2.022 -1.352 1.00 43.33 H new ATOM 0 HB3 PHE A 656 1.458 2.704 -1.993 1.00 43.33 H new ATOM 0 HD1 PHE A 656 -0.002 -0.566 -2.980 1.00 24.33 H new ATOM 0 HD2 PHE A 656 0.649 3.500 -4.078 1.00 42.22 H new ATOM 0 HE1 PHE A 656 -0.758 -1.061 -5.264 1.00 44.05 H new ATOM 0 HE2 PHE A 656 -0.109 3.006 -6.363 1.00 62.03 H new ATOM 0 HZ PHE A 656 -0.818 0.724 -6.959 1.00 40.42 H new ATOM 315 N MET A 657 3.792 0.862 -2.443 1.00 22.31 N ATOM 316 CA MET A 657 4.864 0.472 -3.353 1.00 13.21 C ATOM 317 C MET A 657 5.591 -0.765 -2.835 1.00 44.35 C ATOM 318 O MET A 657 5.851 -1.703 -3.589 1.00 13.31 O ATOM 319 CB MET A 657 5.855 1.623 -3.532 1.00 45.13 C ATOM 320 CG MET A 657 5.254 2.843 -4.212 1.00 50.44 C ATOM 321 SD MET A 657 6.495 3.868 -5.023 1.00 32.12 S ATOM 322 CE MET A 657 7.175 4.750 -3.619 1.00 71.00 C ATOM 0 H MET A 657 3.974 1.718 -1.919 1.00 22.31 H new ATOM 0 HA MET A 657 4.419 0.233 -4.319 1.00 13.21 H new ATOM 0 HB2 MET A 657 6.240 1.915 -2.555 1.00 45.13 H new ATOM 0 HB3 MET A 657 6.704 1.272 -4.118 1.00 45.13 H new ATOM 0 HG2 MET A 657 4.519 2.518 -4.948 1.00 50.44 H new ATOM 0 HG3 MET A 657 4.722 3.441 -3.472 1.00 50.44 H new ATOM 0 HE1 MET A 657 6.878 5.798 -3.669 1.00 71.00 H new ATOM 0 HE2 MET A 657 6.799 4.310 -2.696 1.00 71.00 H new ATOM 0 HE3 MET A 657 8.263 4.680 -3.637 1.00 71.00 H new ATOM 332 N MET A 658 5.917 -0.759 -1.547 1.00 12.21 N ATOM 333 CA MET A 658 6.613 -1.882 -0.930 1.00 23.51 C ATOM 334 C MET A 658 5.741 -3.133 -0.937 1.00 50.23 C ATOM 335 O MET A 658 6.146 -4.183 -1.438 1.00 30.35 O ATOM 336 CB MET A 658 7.016 -1.534 0.504 1.00 41.23 C ATOM 337 CG MET A 658 8.256 -0.659 0.592 1.00 63.31 C ATOM 338 SD MET A 658 8.975 -0.637 2.245 1.00 53.12 S ATOM 339 CE MET A 658 7.502 -0.480 3.253 1.00 62.41 C ATOM 0 H MET A 658 5.711 0.011 -0.910 1.00 12.21 H new ATOM 0 HA MET A 658 7.511 -2.085 -1.513 1.00 23.51 H new ATOM 0 HB2 MET A 658 6.186 -1.023 0.992 1.00 41.23 H new ATOM 0 HB3 MET A 658 7.192 -2.457 1.057 1.00 41.23 H new ATOM 0 HG2 MET A 658 9.000 -1.018 -0.119 1.00 63.31 H new ATOM 0 HG3 MET A 658 7.999 0.359 0.298 1.00 63.31 H new ATOM 0 HE1 MET A 658 7.735 0.090 4.152 1.00 62.41 H new ATOM 0 HE2 MET A 658 6.727 0.036 2.687 1.00 62.41 H new ATOM 0 HE3 MET A 658 7.146 -1.471 3.534 1.00 62.41 H new ATOM 349 N LEU A 659 4.542 -3.015 -0.376 1.00 44.25 N ATOM 350 CA LEU A 659 3.613 -4.138 -0.318 1.00 11.44 C ATOM 351 C LEU A 659 3.363 -4.713 -1.709 1.00 33.32 C ATOM 352 O LEU A 659 3.393 -5.927 -1.904 1.00 44.32 O ATOM 353 CB LEU A 659 2.288 -3.696 0.308 1.00 53.53 C ATOM 354 CG LEU A 659 2.318 -3.407 1.809 1.00 54.04 C ATOM 355 CD1 LEU A 659 0.916 -3.136 2.329 1.00 14.22 C ATOM 356 CD2 LEU A 659 2.954 -4.567 2.563 1.00 34.33 C ATOM 0 H LEU A 659 4.191 -2.154 0.044 1.00 44.25 H new ATOM 0 HA LEU A 659 4.061 -4.916 0.301 1.00 11.44 H new ATOM 0 HB2 LEU A 659 1.947 -2.798 -0.208 1.00 53.53 H new ATOM 0 HB3 LEU A 659 1.545 -4.472 0.122 1.00 53.53 H new ATOM 0 HG LEU A 659 2.923 -2.516 1.976 1.00 54.04 H new ATOM 0 HD11 LEU A 659 0.958 -2.932 3.399 1.00 14.22 H new ATOM 0 HD12 LEU A 659 0.496 -2.273 1.812 1.00 14.22 H new ATOM 0 HD13 LEU A 659 0.287 -4.008 2.150 1.00 14.22 H new ATOM 0 HD21 LEU A 659 2.967 -4.344 3.630 1.00 34.33 H new ATOM 0 HD22 LEU A 659 2.376 -5.475 2.389 1.00 34.33 H new ATOM 0 HD23 LEU A 659 3.975 -4.714 2.211 1.00 34.33 H new ATOM 368 N GLY A 660 3.120 -3.831 -2.674 1.00 32.23 N ATOM 369 CA GLY A 660 2.872 -4.269 -4.034 1.00 63.20 C ATOM 370 C GLY A 660 4.049 -5.020 -4.625 1.00 1.02 C ATOM 371 O GLY A 660 3.899 -6.139 -5.113 1.00 60.44 O ATOM 0 H GLY A 660 3.091 -2.821 -2.537 1.00 32.23 H new ATOM 0 HA2 GLY A 660 1.990 -4.910 -4.051 1.00 63.20 H new ATOM 0 HA3 GLY A 660 2.648 -3.403 -4.656 1.00 63.20 H new ATOM 375 N GLY A 661 5.226 -4.401 -4.582 1.00 43.02 N ATOM 376 CA GLY A 661 6.416 -5.032 -5.123 1.00 40.43 C ATOM 377 C GLY A 661 6.841 -6.249 -4.324 1.00 14.43 C ATOM 378 O GLY A 661 7.398 -7.199 -4.874 1.00 12.43 O ATOM 0 H GLY A 661 5.376 -3.475 -4.182 1.00 43.02 H new ATOM 0 HA2 GLY A 661 6.230 -5.326 -6.156 1.00 40.43 H new ATOM 0 HA3 GLY A 661 7.231 -4.309 -5.139 1.00 40.43 H new ATOM 382 N THR A 662 6.579 -6.219 -3.021 1.00 54.34 N ATOM 383 CA THR A 662 6.941 -7.326 -2.144 1.00 53.53 C ATOM 384 C THR A 662 6.023 -8.524 -2.363 1.00 70.41 C ATOM 385 O THR A 662 6.488 -9.636 -2.616 1.00 60.43 O ATOM 386 CB THR A 662 6.879 -6.912 -0.661 1.00 43.14 C ATOM 387 OG1 THR A 662 7.867 -5.912 -0.391 1.00 20.41 O ATOM 388 CG2 THR A 662 7.102 -8.112 0.246 1.00 74.33 C ATOM 0 H THR A 662 6.118 -5.441 -2.550 1.00 54.34 H new ATOM 0 HA THR A 662 7.965 -7.605 -2.394 1.00 53.53 H new ATOM 0 HB THR A 662 5.888 -6.506 -0.461 1.00 43.14 H new ATOM 0 HG1 THR A 662 7.549 -5.043 -0.713 1.00 20.41 H new ATOM 0 HG21 THR A 662 7.054 -7.795 1.288 1.00 74.33 H new ATOM 0 HG22 THR A 662 6.330 -8.859 0.058 1.00 74.33 H new ATOM 0 HG23 THR A 662 8.082 -8.544 0.043 1.00 74.33 H new ATOM 396 N PHE A 663 4.720 -8.291 -2.267 1.00 2.25 N ATOM 397 CA PHE A 663 3.736 -9.351 -2.455 1.00 53.21 C ATOM 398 C PHE A 663 3.945 -10.055 -3.793 1.00 61.43 C ATOM 399 O PHE A 663 4.097 -11.275 -3.849 1.00 52.44 O ATOM 400 CB PHE A 663 2.318 -8.781 -2.381 1.00 61.34 C ATOM 401 CG PHE A 663 1.311 -9.749 -1.830 1.00 31.14 C ATOM 402 CD1 PHE A 663 1.244 -11.048 -2.310 1.00 35.15 C ATOM 403 CD2 PHE A 663 0.431 -9.360 -0.832 1.00 42.14 C ATOM 404 CE1 PHE A 663 0.317 -11.939 -1.804 1.00 64.31 C ATOM 405 CE2 PHE A 663 -0.498 -10.248 -0.323 1.00 61.55 C ATOM 406 CZ PHE A 663 -0.554 -11.540 -0.809 1.00 72.45 C ATOM 0 H PHE A 663 4.319 -7.376 -2.060 1.00 2.25 H new ATOM 0 HA PHE A 663 3.868 -10.080 -1.656 1.00 53.21 H new ATOM 0 HB2 PHE A 663 2.327 -7.885 -1.760 1.00 61.34 H new ATOM 0 HB3 PHE A 663 2.006 -8.473 -3.379 1.00 61.34 H new ATOM 0 HD1 PHE A 663 1.923 -11.367 -3.087 1.00 35.15 H new ATOM 0 HD2 PHE A 663 0.472 -8.351 -0.448 1.00 42.14 H new ATOM 0 HE1 PHE A 663 0.273 -12.948 -2.187 1.00 64.31 H new ATOM 0 HE2 PHE A 663 -1.179 -9.932 0.453 1.00 61.55 H new ATOM 0 HZ PHE A 663 -1.277 -12.237 -0.412 1.00 72.45 H new ATOM 416 N LEU A 664 3.950 -9.276 -4.869 1.00 52.15 N ATOM 417 CA LEU A 664 4.139 -9.824 -6.208 1.00 25.45 C ATOM 418 C LEU A 664 5.460 -10.581 -6.305 1.00 3.43 C ATOM 419 O LEU A 664 5.498 -11.724 -6.761 1.00 64.12 O ATOM 420 CB LEU A 664 4.105 -8.702 -7.248 1.00 2.40 C ATOM 421 CG LEU A 664 2.771 -7.971 -7.402 1.00 23.54 C ATOM 422 CD1 LEU A 664 2.757 -7.149 -8.682 1.00 33.42 C ATOM 423 CD2 LEU A 664 1.615 -8.960 -7.389 1.00 51.21 C ATOM 0 H LEU A 664 3.826 -8.264 -4.841 1.00 52.15 H new ATOM 0 HA LEU A 664 3.326 -10.522 -6.407 1.00 25.45 H new ATOM 0 HB2 LEU A 664 4.870 -7.970 -6.989 1.00 2.40 H new ATOM 0 HB3 LEU A 664 4.380 -9.122 -8.215 1.00 2.40 H new ATOM 0 HG LEU A 664 2.652 -7.293 -6.557 1.00 23.54 H new ATOM 0 HD11 LEU A 664 1.800 -6.636 -8.774 1.00 33.42 H new ATOM 0 HD12 LEU A 664 3.561 -6.414 -8.651 1.00 33.42 H new ATOM 0 HD13 LEU A 664 2.900 -7.807 -9.539 1.00 33.42 H new ATOM 0 HD21 LEU A 664 0.674 -8.421 -7.500 1.00 51.21 H new ATOM 0 HD22 LEU A 664 1.729 -9.664 -8.213 1.00 51.21 H new ATOM 0 HD23 LEU A 664 1.612 -9.504 -6.445 1.00 51.21 H new ATOM 435 N TYR A 665 6.538 -9.938 -5.871 1.00 43.23 N ATOM 436 CA TYR A 665 7.860 -10.551 -5.910 1.00 52.42 C ATOM 437 C TYR A 665 7.873 -11.868 -5.139 1.00 14.34 C ATOM 438 O TYR A 665 8.394 -12.876 -5.616 1.00 60.50 O ATOM 439 CB TYR A 665 8.905 -9.597 -5.329 1.00 41.44 C ATOM 440 CG TYR A 665 10.216 -10.270 -4.989 1.00 75.20 C ATOM 441 CD1 TYR A 665 10.428 -10.830 -3.735 1.00 30.22 C ATOM 442 CD2 TYR A 665 11.243 -10.344 -5.921 1.00 62.01 C ATOM 443 CE1 TYR A 665 11.624 -11.444 -3.419 1.00 25.22 C ATOM 444 CE2 TYR A 665 12.442 -10.959 -5.615 1.00 31.53 C ATOM 445 CZ TYR A 665 12.628 -11.506 -4.363 1.00 31.13 C ATOM 446 OH TYR A 665 13.822 -12.117 -4.053 1.00 24.52 O ATOM 0 H TYR A 665 6.522 -8.993 -5.488 1.00 43.23 H new ATOM 0 HA TYR A 665 8.106 -10.758 -6.952 1.00 52.42 H new ATOM 0 HB2 TYR A 665 9.092 -8.797 -6.045 1.00 41.44 H new ATOM 0 HB3 TYR A 665 8.501 -9.132 -4.430 1.00 41.44 H new ATOM 0 HD1 TYR A 665 9.643 -10.784 -2.994 1.00 30.22 H new ATOM 0 HD2 TYR A 665 11.102 -9.914 -6.901 1.00 62.01 H new ATOM 0 HE1 TYR A 665 11.772 -11.873 -2.439 1.00 25.22 H new ATOM 0 HE2 TYR A 665 13.229 -11.011 -6.353 1.00 31.53 H new ATOM 0 HH TYR A 665 14.421 -12.076 -4.827 1.00 24.52 H new ATOM 456 N TRP A 666 7.293 -11.851 -3.943 1.00 62.11 N ATOM 457 CA TRP A 666 7.236 -13.043 -3.105 1.00 31.00 C ATOM 458 C TRP A 666 6.460 -14.158 -3.796 1.00 41.10 C ATOM 459 O TRP A 666 6.946 -15.284 -3.916 1.00 11.23 O ATOM 460 CB TRP A 666 6.589 -12.714 -1.758 1.00 61.02 C ATOM 461 CG TRP A 666 7.193 -13.466 -0.611 1.00 10.14 C ATOM 462 CD1 TRP A 666 8.293 -13.110 0.115 1.00 62.43 C ATOM 463 CD2 TRP A 666 6.729 -14.702 -0.058 1.00 45.22 C ATOM 464 NE1 TRP A 666 8.542 -14.050 1.085 1.00 2.41 N ATOM 465 CE2 TRP A 666 7.595 -15.038 1.001 1.00 24.42 C ATOM 466 CE3 TRP A 666 5.664 -15.559 -0.354 1.00 33.44 C ATOM 467 CZ2 TRP A 666 7.430 -16.192 1.761 1.00 10.55 C ATOM 468 CZ3 TRP A 666 5.501 -16.704 0.403 1.00 21.12 C ATOM 469 CH2 TRP A 666 6.379 -17.012 1.451 1.00 22.31 C ATOM 0 H TRP A 666 6.856 -11.026 -3.533 1.00 62.11 H new ATOM 0 HA TRP A 666 8.256 -13.387 -2.936 1.00 31.00 H new ATOM 0 HB2 TRP A 666 6.680 -11.644 -1.570 1.00 61.02 H new ATOM 0 HB3 TRP A 666 5.524 -12.939 -1.810 1.00 61.02 H new ATOM 0 HD1 TRP A 666 8.881 -12.219 -0.049 1.00 62.43 H new ATOM 0 HE1 TRP A 666 9.307 -14.018 1.759 1.00 2.41 H new ATOM 0 HE3 TRP A 666 4.982 -15.330 -1.159 1.00 33.44 H new ATOM 0 HZ2 TRP A 666 8.107 -16.432 2.567 1.00 10.55 H new ATOM 0 HZ3 TRP A 666 4.682 -17.373 0.183 1.00 21.12 H new ATOM 0 HH2 TRP A 666 6.223 -17.914 2.025 1.00 22.31 H new ATOM 480 N ARG A 667 5.252 -13.840 -4.250 1.00 25.23 N ATOM 481 CA ARG A 667 4.409 -14.816 -4.930 1.00 14.13 C ATOM 482 C ARG A 667 5.125 -15.405 -6.141 1.00 32.21 C ATOM 483 O ARG A 667 4.908 -16.560 -6.503 1.00 3.41 O ATOM 484 CB ARG A 667 3.093 -14.169 -5.367 1.00 72.10 C ATOM 485 CG ARG A 667 1.986 -14.280 -4.331 1.00 1.44 C ATOM 486 CD ARG A 667 0.767 -13.462 -4.729 1.00 50.12 C ATOM 487 NE ARG A 667 0.302 -13.790 -6.074 1.00 72.14 N ATOM 488 CZ ARG A 667 0.693 -13.140 -7.165 1.00 44.42 C ATOM 489 NH1 ARG A 667 1.550 -12.133 -7.071 1.00 42.51 N ATOM 490 NH2 ARG A 667 0.225 -13.499 -8.354 1.00 43.32 N ATOM 0 H ARG A 667 4.835 -12.914 -4.159 1.00 25.23 H new ATOM 0 HA ARG A 667 4.195 -15.623 -4.229 1.00 14.13 H new ATOM 0 HB2 ARG A 667 3.271 -13.116 -5.585 1.00 72.10 H new ATOM 0 HB3 ARG A 667 2.759 -14.635 -6.294 1.00 72.10 H new ATOM 0 HG2 ARG A 667 1.701 -15.325 -4.212 1.00 1.44 H new ATOM 0 HG3 ARG A 667 2.355 -13.938 -3.364 1.00 1.44 H new ATOM 0 HD2 ARG A 667 -0.037 -13.639 -4.015 1.00 50.12 H new ATOM 0 HD3 ARG A 667 1.011 -12.401 -4.679 1.00 50.12 H new ATOM 0 HE ARG A 667 -0.359 -14.560 -6.182 1.00 72.14 H new ATOM 0 HH11 ARG A 667 1.912 -11.855 -6.159 1.00 42.51 H new ATOM 0 HH12 ARG A 667 1.848 -11.637 -7.911 1.00 42.51 H new ATOM 0 HH21 ARG A 667 -0.434 -14.273 -8.430 1.00 43.32 H new ATOM 0 HH22 ARG A 667 0.525 -13.000 -9.192 1.00 43.32 H new ATOM 504 N GLY A 668 5.983 -14.602 -6.763 1.00 4.32 N ATOM 505 CA GLY A 668 6.718 -15.060 -7.927 1.00 21.10 C ATOM 506 C GLY A 668 7.912 -15.918 -7.558 1.00 32.32 C ATOM 507 O GLY A 668 8.022 -17.062 -7.996 1.00 42.23 O ATOM 0 H GLY A 668 6.182 -13.642 -6.481 1.00 4.32 H new ATOM 0 HA2 GLY A 668 6.051 -15.630 -8.573 1.00 21.10 H new ATOM 0 HA3 GLY A 668 7.058 -14.198 -8.501 1.00 21.10 H new ATOM 511 N ARG A 669 8.810 -15.362 -6.750 1.00 63.25 N ATOM 512 CA ARG A 669 10.004 -16.083 -6.325 1.00 21.54 C ATOM 513 C ARG A 669 9.640 -17.452 -5.759 1.00 4.11 C ATOM 514 O ARG A 669 10.411 -18.405 -5.868 1.00 25.01 O ATOM 515 CB ARG A 669 10.768 -15.272 -5.276 1.00 43.34 C ATOM 516 CG ARG A 669 10.235 -15.449 -3.863 1.00 45.11 C ATOM 517 CD ARG A 669 11.024 -14.619 -2.863 1.00 12.34 C ATOM 518 NE ARG A 669 11.706 -15.453 -1.877 1.00 15.42 N ATOM 519 CZ ARG A 669 12.112 -15.008 -0.693 1.00 3.53 C ATOM 520 NH1 ARG A 669 11.904 -13.744 -0.349 1.00 64.21 N ATOM 521 NH2 ARG A 669 12.726 -15.827 0.150 1.00 13.51 N ATOM 0 H ARG A 669 8.733 -14.416 -6.377 1.00 63.25 H new ATOM 0 HA ARG A 669 10.641 -16.228 -7.198 1.00 21.54 H new ATOM 0 HB2 ARG A 669 11.818 -15.563 -5.298 1.00 43.34 H new ATOM 0 HB3 ARG A 669 10.724 -14.216 -5.542 1.00 43.34 H new ATOM 0 HG2 ARG A 669 9.185 -15.159 -3.830 1.00 45.11 H new ATOM 0 HG3 ARG A 669 10.284 -16.501 -3.583 1.00 45.11 H new ATOM 0 HD2 ARG A 669 11.757 -14.012 -3.394 1.00 12.34 H new ATOM 0 HD3 ARG A 669 10.351 -13.931 -2.352 1.00 12.34 H new ATOM 0 HE ARG A 669 11.880 -16.431 -2.110 1.00 15.42 H new ATOM 0 HH11 ARG A 669 11.431 -13.111 -0.994 1.00 64.21 H new ATOM 0 HH12 ARG A 669 12.217 -13.405 0.561 1.00 64.21 H new ATOM 0 HH21 ARG A 669 12.887 -16.800 -0.110 1.00 13.51 H new ATOM 0 HH22 ARG A 669 13.037 -15.484 1.059 1.00 13.51 H new ATOM 535 N ARG A 670 8.460 -17.542 -5.155 1.00 13.03 N ATOM 536 CA ARG A 670 7.994 -18.794 -4.571 1.00 13.44 C ATOM 537 C ARG A 670 7.300 -19.658 -5.618 1.00 4.23 C ATOM 538 O ARG A 670 7.395 -20.886 -5.588 1.00 22.41 O ATOM 539 CB ARG A 670 7.038 -18.514 -3.410 1.00 11.32 C ATOM 540 CG ARG A 670 7.681 -17.759 -2.258 1.00 1.03 C ATOM 541 CD ARG A 670 7.707 -18.596 -0.988 1.00 22.43 C ATOM 542 NE ARG A 670 8.470 -19.828 -1.161 1.00 53.00 N ATOM 543 CZ ARG A 670 9.794 -19.866 -1.256 1.00 62.45 C ATOM 544 NH1 ARG A 670 10.498 -18.744 -1.197 1.00 44.11 N ATOM 545 NH2 ARG A 670 10.417 -21.027 -1.411 1.00 64.44 N ATOM 0 H ARG A 670 7.809 -16.763 -5.057 1.00 13.03 H new ATOM 0 HA ARG A 670 8.862 -19.336 -4.196 1.00 13.44 H new ATOM 0 HB2 ARG A 670 6.189 -17.940 -3.780 1.00 11.32 H new ATOM 0 HB3 ARG A 670 6.645 -19.460 -3.038 1.00 11.32 H new ATOM 0 HG2 ARG A 670 8.698 -17.476 -2.530 1.00 1.03 H new ATOM 0 HG3 ARG A 670 7.132 -16.836 -2.075 1.00 1.03 H new ATOM 0 HD2 ARG A 670 8.142 -18.011 -0.177 1.00 22.43 H new ATOM 0 HD3 ARG A 670 6.686 -18.840 -0.694 1.00 22.43 H new ATOM 0 HE ARG A 670 7.958 -20.709 -1.212 1.00 53.00 H new ATOM 0 HH11 ARG A 670 10.023 -17.849 -1.078 1.00 44.11 H new ATOM 0 HH12 ARG A 670 11.515 -18.776 -1.270 1.00 44.11 H new ATOM 0 HH21 ARG A 670 9.879 -21.892 -1.457 1.00 64.44 H new ATOM 0 HH22 ARG A 670 11.434 -21.054 -1.484 1.00 64.44 H new ATOM 559 N HIS A 671 6.601 -19.009 -6.545 1.00 53.12 N ATOM 560 CA HIS A 671 5.891 -19.719 -7.603 1.00 12.35 C ATOM 561 C HIS A 671 6.851 -20.576 -8.422 1.00 62.02 C ATOM 562 O HIS A 671 6.645 -21.780 -8.578 1.00 61.10 O ATOM 563 CB HIS A 671 5.170 -18.726 -8.516 1.00 43.43 C ATOM 564 CG HIS A 671 3.709 -18.589 -8.216 1.00 34.34 C ATOM 565 ND1 HIS A 671 2.782 -18.190 -9.155 1.00 42.10 N ATOM 566 CD2 HIS A 671 3.016 -18.800 -7.072 1.00 73.20 C ATOM 567 CE1 HIS A 671 1.582 -18.161 -8.602 1.00 12.40 C ATOM 568 NE2 HIS A 671 1.697 -18.527 -7.338 1.00 21.42 N ATOM 0 H HIS A 671 6.511 -17.994 -6.585 1.00 53.12 H new ATOM 0 HA HIS A 671 5.155 -20.374 -7.137 1.00 12.35 H new ATOM 0 HB2 HIS A 671 5.645 -17.749 -8.424 1.00 43.43 H new ATOM 0 HB3 HIS A 671 5.292 -19.043 -9.552 1.00 43.43 H new ATOM 0 HD2 HIS A 671 3.425 -19.123 -6.126 1.00 73.20 H new ATOM 0 HE1 HIS A 671 0.664 -17.885 -9.099 1.00 12.40 H new ATOM 0 HE2 HIS A 671 0.931 -18.596 -6.668 1.00 21.42 H new ATOM 576 N HIS A 672 7.901 -19.948 -8.943 1.00 15.31 N ATOM 577 CA HIS A 672 8.893 -20.654 -9.746 1.00 21.34 C ATOM 578 C HIS A 672 9.699 -21.622 -8.886 1.00 12.14 C ATOM 579 O HIS A 672 9.791 -21.457 -7.669 1.00 75.25 O ATOM 580 CB HIS A 672 9.831 -19.657 -10.429 1.00 10.54 C ATOM 581 CG HIS A 672 9.312 -19.148 -11.738 1.00 25.12 C ATOM 582 ND1 HIS A 672 9.124 -17.807 -12.003 1.00 43.53 N ATOM 583 CD2 HIS A 672 8.944 -19.808 -12.861 1.00 21.45 C ATOM 584 CE1 HIS A 672 8.661 -17.665 -13.233 1.00 42.31 C ATOM 585 NE2 HIS A 672 8.543 -18.864 -13.775 1.00 40.12 N ATOM 0 H HIS A 672 8.086 -18.952 -8.823 1.00 15.31 H new ATOM 0 HA HIS A 672 8.366 -21.227 -10.509 1.00 21.34 H new ATOM 0 HB2 HIS A 672 9.999 -18.812 -9.761 1.00 10.54 H new ATOM 0 HB3 HIS A 672 10.798 -20.133 -10.591 1.00 10.54 H new ATOM 0 HD2 HIS A 672 8.962 -20.877 -13.011 1.00 21.45 H new ATOM 0 HE1 HIS A 672 8.420 -16.728 -13.713 1.00 42.31 H new ATOM 0 HE2 HIS A 672 8.208 -19.057 -14.719 1.00 40.12 H new ATOM 593 N HIS A 673 10.281 -22.631 -9.526 1.00 13.22 N ATOM 594 CA HIS A 673 11.079 -23.626 -8.819 1.00 31.55 C ATOM 595 C HIS A 673 10.243 -24.344 -7.764 1.00 73.53 C ATOM 596 O HIS A 673 10.690 -24.545 -6.634 1.00 52.13 O ATOM 597 CB HIS A 673 12.292 -22.965 -8.162 1.00 4.35 C ATOM 598 CG HIS A 673 13.527 -23.812 -8.194 1.00 3.22 C ATOM 599 ND1 HIS A 673 14.372 -23.951 -7.114 1.00 35.53 N ATOM 600 CD2 HIS A 673 14.056 -24.567 -9.184 1.00 63.42 C ATOM 601 CE1 HIS A 673 15.370 -24.754 -7.438 1.00 4.44 C ATOM 602 NE2 HIS A 673 15.201 -25.142 -8.690 1.00 51.33 N ATOM 0 H HIS A 673 10.215 -22.781 -10.533 1.00 13.22 H new ATOM 0 HA HIS A 673 11.424 -24.361 -9.546 1.00 31.55 H new ATOM 0 HB2 HIS A 673 12.497 -22.020 -8.665 1.00 4.35 H new ATOM 0 HB3 HIS A 673 12.050 -22.729 -7.126 1.00 4.35 H new ATOM 0 HD2 HIS A 673 13.653 -24.694 -10.178 1.00 63.42 H new ATOM 0 HE1 HIS A 673 16.184 -25.044 -6.791 1.00 4.44 H new ATOM 0 HE2 HIS A 673 15.820 -25.767 -9.206 1.00 51.33 H new ATOM 610 N HIS A 674 9.027 -24.727 -8.139 1.00 43.32 N ATOM 611 CA HIS A 674 8.128 -25.422 -7.226 1.00 75.13 C ATOM 612 C HIS A 674 8.531 -26.887 -7.077 1.00 12.21 C ATOM 613 O HIS A 674 9.093 -27.483 -7.996 1.00 42.52 O ATOM 614 CB HIS A 674 6.686 -25.326 -7.723 1.00 52.51 C ATOM 615 CG HIS A 674 6.485 -25.894 -9.095 1.00 33.42 C ATOM 616 ND1 HIS A 674 6.488 -25.122 -10.236 1.00 5.53 N ATOM 617 CD2 HIS A 674 6.279 -27.168 -9.503 1.00 1.10 C ATOM 618 CE1 HIS A 674 6.289 -25.895 -11.288 1.00 44.42 C ATOM 619 NE2 HIS A 674 6.159 -27.142 -10.871 1.00 31.32 N ATOM 0 H HIS A 674 8.642 -24.567 -9.070 1.00 43.32 H new ATOM 0 HA HIS A 674 8.200 -24.942 -6.250 1.00 75.13 H new ATOM 0 HB2 HIS A 674 6.034 -25.849 -7.023 1.00 52.51 H new ATOM 0 HB3 HIS A 674 6.380 -24.280 -7.723 1.00 52.51 H new ATOM 0 HD2 HIS A 674 6.220 -28.042 -8.871 1.00 1.10 H new ATOM 0 HE1 HIS A 674 6.241 -25.564 -12.315 1.00 44.42 H new ATOM 0 HE2 HIS A 674 5.996 -27.953 -11.468 1.00 31.32 H new ATOM 627 N HIS A 675 8.240 -27.460 -5.913 1.00 62.32 N ATOM 628 CA HIS A 675 8.572 -28.855 -5.644 1.00 23.31 C ATOM 629 C HIS A 675 7.326 -29.646 -5.260 1.00 4.50 C ATOM 630 O HIS A 675 6.408 -29.113 -4.635 1.00 13.31 O ATOM 631 CB HIS A 675 9.613 -28.947 -4.529 1.00 73.10 C ATOM 632 CG HIS A 675 11.016 -29.100 -5.029 1.00 31.43 C ATOM 633 ND1 HIS A 675 11.592 -30.324 -5.294 1.00 2.02 N ATOM 634 CD2 HIS A 675 11.960 -28.172 -5.315 1.00 20.21 C ATOM 635 CE1 HIS A 675 12.829 -30.143 -5.719 1.00 62.42 C ATOM 636 NE2 HIS A 675 13.077 -28.846 -5.742 1.00 33.44 N ATOM 0 H HIS A 675 7.776 -26.980 -5.142 1.00 62.32 H new ATOM 0 HA HIS A 675 8.987 -29.286 -6.555 1.00 23.31 H new ATOM 0 HB2 HIS A 675 9.552 -28.051 -3.912 1.00 73.10 H new ATOM 0 HB3 HIS A 675 9.371 -29.794 -3.886 1.00 73.10 H new ATOM 0 HD2 HIS A 675 11.854 -27.101 -5.224 1.00 20.21 H new ATOM 0 HE1 HIS A 675 13.521 -30.923 -6.000 1.00 62.42 H new ATOM 0 HE2 HIS A 675 13.956 -28.415 -6.030 1.00 33.44 H new ATOM 644 N HIS A 676 7.298 -30.920 -5.640 1.00 34.13 N ATOM 645 CA HIS A 676 6.164 -31.784 -5.336 1.00 14.54 C ATOM 646 C HIS A 676 6.448 -32.642 -4.106 1.00 23.23 C ATOM 647 O HIS A 676 7.172 -33.630 -4.217 1.00 15.13 O ATOM 648 CB HIS A 676 5.841 -32.679 -6.533 1.00 31.25 C ATOM 649 CG HIS A 676 4.413 -33.129 -6.576 1.00 62.13 C ATOM 650 ND1 HIS A 676 3.958 -34.254 -5.921 1.00 64.43 N ATOM 651 CD2 HIS A 676 3.336 -32.597 -7.200 1.00 52.21 C ATOM 652 CE1 HIS A 676 2.664 -34.397 -6.142 1.00 64.22 C ATOM 653 NE2 HIS A 676 2.261 -33.404 -6.915 1.00 74.42 N ATOM 0 H HIS A 676 8.048 -31.376 -6.159 1.00 34.13 H new ATOM 0 HA HIS A 676 5.303 -31.150 -5.124 1.00 14.54 H new ATOM 0 HB2 HIS A 676 6.071 -32.140 -7.452 1.00 31.25 H new ATOM 0 HB3 HIS A 676 6.489 -33.555 -6.506 1.00 31.25 H new ATOM 0 HD2 HIS A 676 3.324 -31.705 -7.808 1.00 52.21 H new ATOM 0 HE1 HIS A 676 2.041 -35.191 -5.757 1.00 64.22 H new ATOM 0 HE2 HIS A 676 1.307 -33.260 -7.246 1.00 74.42 H new TER 661 HIS A 676 ATOM 662 N MET B 637 -9.881 30.478 8.106 1.00 21.53 N ATOM 663 CA MET B 637 -9.373 31.244 6.973 1.00 45.15 C ATOM 664 C MET B 637 -8.112 30.601 6.405 1.00 61.14 C ATOM 665 O MET B 637 -7.215 30.206 7.149 1.00 54.54 O ATOM 666 CB MET B 637 -9.080 32.685 7.393 1.00 70.21 C ATOM 667 CG MET B 637 -9.008 33.656 6.226 1.00 4.50 C ATOM 668 SD MET B 637 -7.567 34.735 6.306 1.00 13.01 S ATOM 669 CE MET B 637 -7.307 35.083 4.568 1.00 71.25 C ATOM 0 HA MET B 637 -10.139 31.249 6.197 1.00 45.15 H new ATOM 0 HB2 MET B 637 -9.854 33.018 8.084 1.00 70.21 H new ATOM 0 HB3 MET B 637 -8.135 32.711 7.936 1.00 70.21 H new ATOM 0 HG2 MET B 637 -8.985 33.094 5.292 1.00 4.50 H new ATOM 0 HG3 MET B 637 -9.912 34.265 6.209 1.00 4.50 H new ATOM 0 HE1 MET B 637 -6.446 35.742 4.454 1.00 71.25 H new ATOM 0 HE2 MET B 637 -7.124 34.151 4.034 1.00 71.25 H new ATOM 0 HE3 MET B 637 -8.192 35.569 4.158 1.00 71.25 H new ATOM 679 N GLY B 638 -8.049 30.498 5.081 1.00 22.55 N ATOM 680 CA GLY B 638 -6.893 29.903 4.436 1.00 31.22 C ATOM 681 C GLY B 638 -6.955 28.389 4.420 1.00 51.33 C ATOM 682 O GLY B 638 -6.143 27.720 5.059 1.00 23.54 O ATOM 0 H GLY B 638 -8.779 30.816 4.443 1.00 22.55 H new ATOM 0 HA2 GLY B 638 -6.822 30.272 3.413 1.00 31.22 H new ATOM 0 HA3 GLY B 638 -5.988 30.221 4.953 1.00 31.22 H new ATOM 686 N ARG B 639 -7.923 27.845 3.689 1.00 63.13 N ATOM 687 CA ARG B 639 -8.090 26.400 3.595 1.00 52.02 C ATOM 688 C ARG B 639 -8.438 25.985 2.168 1.00 53.31 C ATOM 689 O ARG B 639 -9.612 25.901 1.803 1.00 62.31 O ATOM 690 CB ARG B 639 -9.182 25.927 4.556 1.00 34.31 C ATOM 691 CG ARG B 639 -9.014 26.452 5.973 1.00 13.11 C ATOM 692 CD ARG B 639 -7.753 25.906 6.623 1.00 72.13 C ATOM 693 NE ARG B 639 -8.037 24.781 7.512 1.00 25.13 N ATOM 694 CZ ARG B 639 -7.188 24.338 8.431 1.00 22.43 C ATOM 695 NH1 ARG B 639 -6.007 24.920 8.583 1.00 31.51 N ATOM 696 NH2 ARG B 639 -7.519 23.309 9.202 1.00 23.23 N ATOM 0 H ARG B 639 -8.603 28.384 3.153 1.00 63.13 H new ATOM 0 HA ARG B 639 -7.145 25.932 3.872 1.00 52.02 H new ATOM 0 HB2 ARG B 639 -10.153 26.242 4.173 1.00 34.31 H new ATOM 0 HB3 ARG B 639 -9.187 24.837 4.579 1.00 34.31 H new ATOM 0 HG2 ARG B 639 -8.974 27.541 5.956 1.00 13.11 H new ATOM 0 HG3 ARG B 639 -9.882 26.174 6.571 1.00 13.11 H new ATOM 0 HD2 ARG B 639 -7.055 25.589 5.849 1.00 72.13 H new ATOM 0 HD3 ARG B 639 -7.264 26.700 7.188 1.00 72.13 H new ATOM 0 HE ARG B 639 -8.937 24.310 7.421 1.00 25.13 H new ATOM 0 HH11 ARG B 639 -5.748 25.711 7.993 1.00 31.51 H new ATOM 0 HH12 ARG B 639 -5.357 24.577 9.290 1.00 31.51 H new ATOM 0 HH21 ARG B 639 -8.427 22.858 9.088 1.00 23.23 H new ATOM 0 HH22 ARG B 639 -6.866 22.970 9.908 1.00 23.23 H new ATOM 710 N THR B 640 -7.412 25.725 1.365 1.00 72.15 N ATOM 711 CA THR B 640 -7.609 25.320 -0.020 1.00 44.14 C ATOM 712 C THR B 640 -6.711 24.142 -0.383 1.00 2.22 C ATOM 713 O THR B 640 -7.172 23.145 -0.939 1.00 33.33 O ATOM 714 CB THR B 640 -7.327 26.483 -0.991 1.00 61.34 C ATOM 715 OG1 THR B 640 -8.207 27.578 -0.713 1.00 51.31 O ATOM 716 CG2 THR B 640 -7.504 26.038 -2.435 1.00 73.22 C ATOM 0 H THR B 640 -6.435 25.788 1.651 1.00 72.15 H new ATOM 0 HA THR B 640 -8.653 25.020 -0.115 1.00 44.14 H new ATOM 0 HB THR B 640 -6.294 26.802 -0.850 1.00 61.34 H new ATOM 0 HG1 THR B 640 -8.020 28.313 -1.333 1.00 51.31 H new ATOM 0 HG21 THR B 640 -7.300 26.876 -3.102 1.00 73.22 H new ATOM 0 HG22 THR B 640 -6.812 25.224 -2.652 1.00 73.22 H new ATOM 0 HG23 THR B 640 -8.527 25.695 -2.587 1.00 73.22 H new ATOM 724 N HIS B 641 -5.426 24.263 -0.062 1.00 43.12 N ATOM 725 CA HIS B 641 -4.464 23.207 -0.354 1.00 33.01 C ATOM 726 C HIS B 641 -4.799 21.937 0.425 1.00 65.42 C ATOM 727 O HIS B 641 -4.253 20.867 0.151 1.00 11.43 O ATOM 728 CB HIS B 641 -3.047 23.670 -0.011 1.00 11.03 C ATOM 729 CG HIS B 641 -2.763 23.688 1.460 1.00 21.33 C ATOM 730 ND1 HIS B 641 -3.709 24.021 2.406 1.00 1.34 N ATOM 731 CD2 HIS B 641 -1.629 23.411 2.146 1.00 23.32 C ATOM 732 CE1 HIS B 641 -3.170 23.949 3.610 1.00 21.22 C ATOM 733 NE2 HIS B 641 -1.908 23.581 3.480 1.00 3.33 N ATOM 0 H HIS B 641 -5.028 25.081 0.400 1.00 43.12 H new ATOM 0 HA HIS B 641 -4.518 22.984 -1.420 1.00 33.01 H new ATOM 0 HB2 HIS B 641 -2.330 23.013 -0.503 1.00 11.03 H new ATOM 0 HB3 HIS B 641 -2.893 24.671 -0.415 1.00 11.03 H new ATOM 0 HD2 HIS B 641 -0.681 23.112 1.723 1.00 23.32 H new ATOM 0 HE1 HIS B 641 -3.675 24.156 4.542 1.00 21.22 H new ATOM 0 HE2 HIS B 641 -1.248 23.445 4.246 1.00 3.33 H new ATOM 741 N LEU B 642 -5.698 22.063 1.394 1.00 32.51 N ATOM 742 CA LEU B 642 -6.105 20.927 2.212 1.00 75.22 C ATOM 743 C LEU B 642 -6.949 19.948 1.403 1.00 44.32 C ATOM 744 O LEU B 642 -6.904 18.738 1.627 1.00 51.41 O ATOM 745 CB LEU B 642 -6.891 21.408 3.434 1.00 45.24 C ATOM 746 CG LEU B 642 -6.057 21.857 4.634 1.00 51.33 C ATOM 747 CD1 LEU B 642 -6.831 22.860 5.476 1.00 22.41 C ATOM 748 CD2 LEU B 642 -5.645 20.657 5.476 1.00 24.31 C ATOM 0 H LEU B 642 -6.159 22.941 1.633 1.00 32.51 H new ATOM 0 HA LEU B 642 -5.205 20.411 2.547 1.00 75.22 H new ATOM 0 HB2 LEU B 642 -7.527 22.238 3.128 1.00 45.24 H new ATOM 0 HB3 LEU B 642 -7.551 20.603 3.757 1.00 45.24 H new ATOM 0 HG LEU B 642 -5.155 22.343 4.264 1.00 51.33 H new ATOM 0 HD11 LEU B 642 -6.222 23.169 6.326 1.00 22.41 H new ATOM 0 HD12 LEU B 642 -7.076 23.732 4.870 1.00 22.41 H new ATOM 0 HD13 LEU B 642 -7.750 22.399 5.837 1.00 22.41 H new ATOM 0 HD21 LEU B 642 -5.052 20.995 6.326 1.00 24.31 H new ATOM 0 HD22 LEU B 642 -6.536 20.143 5.837 1.00 24.31 H new ATOM 0 HD23 LEU B 642 -5.052 19.973 4.869 1.00 24.31 H new ATOM 760 N THR B 643 -7.718 20.479 0.457 1.00 74.13 N ATOM 761 CA THR B 643 -8.572 19.653 -0.387 1.00 23.20 C ATOM 762 C THR B 643 -7.751 18.639 -1.174 1.00 70.33 C ATOM 763 O THR B 643 -7.989 17.434 -1.092 1.00 3.14 O ATOM 764 CB THR B 643 -9.388 20.512 -1.372 1.00 1.11 C ATOM 765 OG1 THR B 643 -9.808 21.723 -0.734 1.00 31.41 O ATOM 766 CG2 THR B 643 -10.605 19.750 -1.875 1.00 33.04 C ATOM 0 H THR B 643 -7.767 21.478 0.256 1.00 74.13 H new ATOM 0 HA THR B 643 -9.257 19.125 0.277 1.00 23.20 H new ATOM 0 HB THR B 643 -8.752 20.752 -2.224 1.00 1.11 H new ATOM 0 HG1 THR B 643 -9.099 22.396 -0.810 1.00 31.41 H new ATOM 0 HG21 THR B 643 -11.165 20.377 -2.569 1.00 33.04 H new ATOM 0 HG22 THR B 643 -10.281 18.843 -2.386 1.00 33.04 H new ATOM 0 HG23 THR B 643 -11.242 19.484 -1.031 1.00 33.04 H new ATOM 774 N MET B 644 -6.782 19.134 -1.937 1.00 25.20 N ATOM 775 CA MET B 644 -5.923 18.269 -2.738 1.00 5.11 C ATOM 776 C MET B 644 -5.119 17.327 -1.850 1.00 34.20 C ATOM 777 O MET B 644 -5.073 16.121 -2.088 1.00 11.10 O ATOM 778 CB MET B 644 -4.978 19.109 -3.599 1.00 61.30 C ATOM 779 CG MET B 644 -5.662 19.775 -4.781 1.00 65.11 C ATOM 780 SD MET B 644 -4.495 20.311 -6.049 1.00 53.44 S ATOM 781 CE MET B 644 -3.729 21.709 -5.233 1.00 44.20 C ATOM 0 H MET B 644 -6.572 20.129 -2.018 1.00 25.20 H new ATOM 0 HA MET B 644 -6.560 17.670 -3.389 1.00 5.11 H new ATOM 0 HB2 MET B 644 -4.518 19.876 -2.976 1.00 61.30 H new ATOM 0 HB3 MET B 644 -4.173 18.473 -3.967 1.00 61.30 H new ATOM 0 HG2 MET B 644 -6.377 19.080 -5.221 1.00 65.11 H new ATOM 0 HG3 MET B 644 -6.230 20.636 -4.429 1.00 65.11 H new ATOM 0 HE1 MET B 644 -2.981 22.150 -5.892 1.00 44.20 H new ATOM 0 HE2 MET B 644 -4.489 22.454 -4.997 1.00 44.20 H new ATOM 0 HE3 MET B 644 -3.250 21.375 -4.313 1.00 44.20 H new ATOM 791 N ALA B 645 -4.484 17.886 -0.823 1.00 44.22 N ATOM 792 CA ALA B 645 -3.683 17.095 0.102 1.00 42.31 C ATOM 793 C ALA B 645 -4.520 16.001 0.756 1.00 24.11 C ATOM 794 O ALA B 645 -4.065 14.867 0.910 1.00 14.21 O ATOM 795 CB ALA B 645 -3.063 17.993 1.163 1.00 65.10 C ATOM 0 H ALA B 645 -4.510 18.884 -0.612 1.00 44.22 H new ATOM 0 HA ALA B 645 -2.885 16.615 -0.465 1.00 42.31 H new ATOM 0 HB1 ALA B 645 -2.467 17.389 1.848 1.00 65.10 H new ATOM 0 HB2 ALA B 645 -2.424 18.735 0.684 1.00 65.10 H new ATOM 0 HB3 ALA B 645 -3.853 18.499 1.719 1.00 65.10 H new ATOM 801 N LEU B 646 -5.744 16.348 1.138 1.00 74.14 N ATOM 802 CA LEU B 646 -6.645 15.393 1.776 1.00 32.52 C ATOM 803 C LEU B 646 -6.946 14.223 0.847 1.00 70.40 C ATOM 804 O LEU B 646 -6.947 13.065 1.268 1.00 4.21 O ATOM 805 CB LEU B 646 -7.947 16.085 2.182 1.00 33.12 C ATOM 806 CG LEU B 646 -7.943 16.777 3.546 1.00 14.22 C ATOM 807 CD1 LEU B 646 -8.916 17.945 3.556 1.00 3.23 C ATOM 808 CD2 LEU B 646 -8.287 15.785 4.648 1.00 41.31 C ATOM 0 H LEU B 646 -6.136 17.282 1.018 1.00 74.14 H new ATOM 0 HA LEU B 646 -6.152 15.006 2.668 1.00 32.52 H new ATOM 0 HB2 LEU B 646 -8.193 16.826 1.422 1.00 33.12 H new ATOM 0 HB3 LEU B 646 -8.746 15.344 2.175 1.00 33.12 H new ATOM 0 HG LEU B 646 -6.941 17.164 3.732 1.00 14.22 H new ATOM 0 HD11 LEU B 646 -8.899 18.424 4.535 1.00 3.23 H new ATOM 0 HD12 LEU B 646 -8.625 18.667 2.793 1.00 3.23 H new ATOM 0 HD13 LEU B 646 -9.922 17.582 3.347 1.00 3.23 H new ATOM 0 HD21 LEU B 646 -8.280 16.295 5.612 1.00 41.31 H new ATOM 0 HD22 LEU B 646 -9.277 15.368 4.466 1.00 41.31 H new ATOM 0 HD23 LEU B 646 -7.551 14.981 4.657 1.00 41.31 H new ATOM 820 N THR B 647 -7.198 14.530 -0.422 1.00 1.24 N ATOM 821 CA THR B 647 -7.500 13.505 -1.412 1.00 41.12 C ATOM 822 C THR B 647 -6.342 12.523 -1.558 1.00 34.44 C ATOM 823 O THR B 647 -6.546 11.311 -1.611 1.00 61.42 O ATOM 824 CB THR B 647 -7.808 14.124 -2.788 1.00 34.04 C ATOM 825 OG1 THR B 647 -8.896 15.050 -2.676 1.00 74.14 O ATOM 826 CG2 THR B 647 -8.157 13.046 -3.802 1.00 43.20 C ATOM 0 H THR B 647 -7.199 15.482 -0.788 1.00 1.24 H new ATOM 0 HA THR B 647 -8.382 12.973 -1.056 1.00 41.12 H new ATOM 0 HB THR B 647 -6.917 14.649 -3.132 1.00 34.04 H new ATOM 0 HG1 THR B 647 -8.614 15.824 -2.145 1.00 74.14 H new ATOM 0 HG21 THR B 647 -8.370 13.508 -4.766 1.00 43.20 H new ATOM 0 HG22 THR B 647 -7.317 12.360 -3.907 1.00 43.20 H new ATOM 0 HG23 THR B 647 -9.034 12.496 -3.461 1.00 43.20 H new ATOM 834 N VAL B 648 -5.126 13.056 -1.619 1.00 21.12 N ATOM 835 CA VAL B 648 -3.934 12.227 -1.757 1.00 5.14 C ATOM 836 C VAL B 648 -3.798 11.263 -0.585 1.00 55.55 C ATOM 837 O VAL B 648 -3.616 10.059 -0.776 1.00 20.12 O ATOM 838 CB VAL B 648 -2.660 13.088 -1.849 1.00 64.13 C ATOM 839 CG1 VAL B 648 -1.421 12.205 -1.884 1.00 24.14 C ATOM 840 CG2 VAL B 648 -2.715 13.990 -3.073 1.00 2.03 C ATOM 0 H VAL B 648 -4.940 14.058 -1.575 1.00 21.12 H new ATOM 0 HA VAL B 648 -4.048 11.659 -2.680 1.00 5.14 H new ATOM 0 HB VAL B 648 -2.603 13.719 -0.962 1.00 64.13 H new ATOM 0 HG11 VAL B 648 -0.530 12.830 -1.949 1.00 24.14 H new ATOM 0 HG12 VAL B 648 -1.377 11.604 -0.976 1.00 24.14 H new ATOM 0 HG13 VAL B 648 -1.467 11.548 -2.752 1.00 24.14 H new ATOM 0 HG21 VAL B 648 -1.807 14.591 -3.123 1.00 2.03 H new ATOM 0 HG22 VAL B 648 -2.795 13.379 -3.972 1.00 2.03 H new ATOM 0 HG23 VAL B 648 -3.582 14.647 -3.002 1.00 2.03 H new ATOM 850 N ILE B 649 -3.888 11.796 0.629 1.00 5.25 N ATOM 851 CA ILE B 649 -3.778 10.982 1.832 1.00 33.42 C ATOM 852 C ILE B 649 -4.831 9.880 1.849 1.00 45.04 C ATOM 853 O ILE B 649 -4.517 8.710 2.069 1.00 2.01 O ATOM 854 CB ILE B 649 -3.924 11.836 3.105 1.00 31.23 C ATOM 855 CG1 ILE B 649 -2.809 12.882 3.175 1.00 42.11 C ATOM 856 CG2 ILE B 649 -3.904 10.950 4.342 1.00 1.43 C ATOM 857 CD1 ILE B 649 -2.893 13.774 4.393 1.00 73.52 C ATOM 0 H ILE B 649 -4.037 12.790 0.805 1.00 5.25 H new ATOM 0 HA ILE B 649 -2.785 10.532 1.818 1.00 33.42 H new ATOM 0 HB ILE B 649 -4.882 12.355 3.068 1.00 31.23 H new ATOM 0 HG12 ILE B 649 -1.845 12.374 3.173 1.00 42.11 H new ATOM 0 HG13 ILE B 649 -2.846 13.501 2.278 1.00 42.11 H new ATOM 0 HG21 ILE B 649 -4.008 11.568 5.234 1.00 1.43 H new ATOM 0 HG22 ILE B 649 -4.729 10.240 4.294 1.00 1.43 H new ATOM 0 HG23 ILE B 649 -2.960 10.407 4.385 1.00 1.43 H new ATOM 0 HD11 ILE B 649 -2.072 14.490 4.377 1.00 73.52 H new ATOM 0 HD12 ILE B 649 -3.842 14.310 4.387 1.00 73.52 H new ATOM 0 HD13 ILE B 649 -2.826 13.166 5.295 1.00 73.52 H new ATOM 869 N ALA B 650 -6.082 10.261 1.613 1.00 13.52 N ATOM 870 CA ALA B 650 -7.183 9.305 1.598 1.00 64.52 C ATOM 871 C ALA B 650 -6.997 8.273 0.491 1.00 62.23 C ATOM 872 O ALA B 650 -7.254 7.086 0.685 1.00 55.31 O ATOM 873 CB ALA B 650 -8.509 10.030 1.429 1.00 44.01 C ATOM 0 H ALA B 650 -6.359 11.225 1.429 1.00 13.52 H new ATOM 0 HA ALA B 650 -7.189 8.779 2.553 1.00 64.52 H new ATOM 0 HB1 ALA B 650 -9.322 9.304 1.420 1.00 44.01 H new ATOM 0 HB2 ALA B 650 -8.652 10.724 2.257 1.00 44.01 H new ATOM 0 HB3 ALA B 650 -8.505 10.582 0.489 1.00 44.01 H new ATOM 879 N GLY B 651 -6.548 8.733 -0.673 1.00 41.11 N ATOM 880 CA GLY B 651 -6.336 7.836 -1.795 1.00 35.24 C ATOM 881 C GLY B 651 -5.401 6.693 -1.454 1.00 22.03 C ATOM 882 O GLY B 651 -5.725 5.527 -1.682 1.00 54.23 O ATOM 0 H GLY B 651 -6.327 9.711 -0.859 1.00 41.11 H new ATOM 0 HA2 GLY B 651 -7.295 7.432 -2.120 1.00 35.24 H new ATOM 0 HA3 GLY B 651 -5.926 8.399 -2.634 1.00 35.24 H new ATOM 886 N LEU B 652 -4.237 7.027 -0.908 1.00 62.21 N ATOM 887 CA LEU B 652 -3.249 6.019 -0.537 1.00 1.43 C ATOM 888 C LEU B 652 -3.811 5.069 0.516 1.00 70.51 C ATOM 889 O LEU B 652 -3.740 3.848 0.367 1.00 31.05 O ATOM 890 CB LEU B 652 -1.980 6.690 -0.010 1.00 74.14 C ATOM 891 CG LEU B 652 -1.287 7.661 -0.966 1.00 70.34 C ATOM 892 CD1 LEU B 652 -0.181 8.418 -0.249 1.00 22.41 C ATOM 893 CD2 LEU B 652 -0.731 6.916 -2.172 1.00 55.14 C ATOM 0 H LEU B 652 -3.954 7.987 -0.712 1.00 62.21 H new ATOM 0 HA LEU B 652 -3.003 5.441 -1.428 1.00 1.43 H new ATOM 0 HB2 LEU B 652 -2.231 7.228 0.904 1.00 74.14 H new ATOM 0 HB3 LEU B 652 -1.268 5.911 0.264 1.00 74.14 H new ATOM 0 HG LEU B 652 -2.024 8.383 -1.318 1.00 70.34 H new ATOM 0 HD11 LEU B 652 0.301 9.104 -0.945 1.00 22.41 H new ATOM 0 HD12 LEU B 652 -0.605 8.982 0.581 1.00 22.41 H new ATOM 0 HD13 LEU B 652 0.556 7.711 0.132 1.00 22.41 H new ATOM 0 HD21 LEU B 652 -0.241 7.623 -2.842 1.00 55.14 H new ATOM 0 HD22 LEU B 652 -0.008 6.172 -1.838 1.00 55.14 H new ATOM 0 HD23 LEU B 652 -1.545 6.420 -2.700 1.00 55.14 H new ATOM 905 N VAL B 653 -4.370 5.636 1.580 1.00 2.44 N ATOM 906 CA VAL B 653 -4.947 4.840 2.657 1.00 24.40 C ATOM 907 C VAL B 653 -5.944 3.822 2.114 1.00 71.35 C ATOM 908 O VAL B 653 -5.876 2.636 2.441 1.00 4.45 O ATOM 909 CB VAL B 653 -5.654 5.731 3.696 1.00 44.45 C ATOM 910 CG1 VAL B 653 -6.504 4.886 4.633 1.00 44.42 C ATOM 911 CG2 VAL B 653 -4.637 6.547 4.477 1.00 21.03 C ATOM 0 H VAL B 653 -4.436 6.644 1.719 1.00 2.44 H new ATOM 0 HA VAL B 653 -4.123 4.315 3.140 1.00 24.40 H new ATOM 0 HB VAL B 653 -6.313 6.422 3.169 1.00 44.45 H new ATOM 0 HG11 VAL B 653 -6.996 5.532 5.360 1.00 44.42 H new ATOM 0 HG12 VAL B 653 -7.257 4.349 4.056 1.00 44.42 H new ATOM 0 HG13 VAL B 653 -5.869 4.170 5.155 1.00 44.42 H new ATOM 0 HG21 VAL B 653 -5.154 7.171 5.206 1.00 21.03 H new ATOM 0 HG22 VAL B 653 -3.952 5.876 4.994 1.00 21.03 H new ATOM 0 HG23 VAL B 653 -4.075 7.181 3.791 1.00 21.03 H new ATOM 921 N VAL B 654 -6.867 4.292 1.281 1.00 50.55 N ATOM 922 CA VAL B 654 -7.877 3.421 0.691 1.00 13.25 C ATOM 923 C VAL B 654 -7.232 2.295 -0.109 1.00 53.52 C ATOM 924 O VAL B 654 -7.717 1.162 -0.107 1.00 33.23 O ATOM 925 CB VAL B 654 -8.828 4.209 -0.229 1.00 51.23 C ATOM 926 CG1 VAL B 654 -9.840 3.276 -0.877 1.00 63.22 C ATOM 927 CG2 VAL B 654 -9.530 5.311 0.550 1.00 22.45 C ATOM 0 H VAL B 654 -6.936 5.270 1.000 1.00 50.55 H new ATOM 0 HA VAL B 654 -8.449 2.996 1.515 1.00 13.25 H new ATOM 0 HB VAL B 654 -8.239 4.673 -1.020 1.00 51.23 H new ATOM 0 HG11 VAL B 654 -10.503 3.851 -1.523 1.00 63.22 H new ATOM 0 HG12 VAL B 654 -9.316 2.526 -1.470 1.00 63.22 H new ATOM 0 HG13 VAL B 654 -10.427 2.782 -0.103 1.00 63.22 H new ATOM 0 HG21 VAL B 654 -10.198 5.858 -0.115 1.00 22.45 H new ATOM 0 HG22 VAL B 654 -10.108 4.871 1.363 1.00 22.45 H new ATOM 0 HG23 VAL B 654 -8.788 5.995 0.961 1.00 22.45 H new ATOM 937 N ILE B 655 -6.137 2.611 -0.790 1.00 71.22 N ATOM 938 CA ILE B 655 -5.425 1.625 -1.593 1.00 72.42 C ATOM 939 C ILE B 655 -4.798 0.549 -0.712 1.00 62.00 C ATOM 940 O ILE B 655 -4.916 -0.644 -0.992 1.00 71.35 O ATOM 941 CB ILE B 655 -4.323 2.282 -2.444 1.00 43.34 C ATOM 942 CG1 ILE B 655 -4.940 3.227 -3.477 1.00 1.51 C ATOM 943 CG2 ILE B 655 -3.479 1.218 -3.131 1.00 12.11 C ATOM 944 CD1 ILE B 655 -4.004 4.325 -3.928 1.00 50.04 C ATOM 0 H ILE B 655 -5.723 3.543 -0.802 1.00 71.22 H new ATOM 0 HA ILE B 655 -6.159 1.167 -2.256 1.00 72.42 H new ATOM 0 HB ILE B 655 -3.677 2.864 -1.787 1.00 43.34 H new ATOM 0 HG12 ILE B 655 -5.253 2.648 -4.346 1.00 1.51 H new ATOM 0 HG13 ILE B 655 -5.838 3.677 -3.054 1.00 1.51 H new ATOM 0 HG21 ILE B 655 -2.704 1.698 -3.729 1.00 12.11 H new ATOM 0 HG22 ILE B 655 -3.014 0.581 -2.379 1.00 12.11 H new ATOM 0 HG23 ILE B 655 -4.113 0.612 -3.778 1.00 12.11 H new ATOM 0 HD11 ILE B 655 -4.509 4.956 -4.660 1.00 50.04 H new ATOM 0 HD12 ILE B 655 -3.711 4.929 -3.069 1.00 50.04 H new ATOM 0 HD13 ILE B 655 -3.116 3.883 -4.381 1.00 50.04 H new ATOM 956 N PHE B 656 -4.132 0.979 0.355 1.00 11.24 N ATOM 957 CA PHE B 656 -3.488 0.053 1.278 1.00 63.45 C ATOM 958 C PHE B 656 -4.517 -0.853 1.948 1.00 60.42 C ATOM 959 O PHE B 656 -4.293 -2.053 2.106 1.00 1.34 O ATOM 960 CB PHE B 656 -2.701 0.823 2.340 1.00 11.33 C ATOM 961 CG PHE B 656 -2.224 -0.038 3.475 1.00 54.21 C ATOM 962 CD1 PHE B 656 -1.802 -1.338 3.246 1.00 25.32 C ATOM 963 CD2 PHE B 656 -2.199 0.452 4.771 1.00 21.51 C ATOM 964 CE1 PHE B 656 -1.364 -2.132 4.289 1.00 60.44 C ATOM 965 CE2 PHE B 656 -1.761 -0.337 5.818 1.00 64.52 C ATOM 966 CZ PHE B 656 -1.342 -1.631 5.576 1.00 30.21 C ATOM 0 H PHE B 656 -4.025 1.963 0.601 1.00 11.24 H new ATOM 0 HA PHE B 656 -2.800 -0.570 0.706 1.00 63.45 H new ATOM 0 HB2 PHE B 656 -1.841 1.299 1.869 1.00 11.33 H new ATOM 0 HB3 PHE B 656 -3.328 1.621 2.738 1.00 11.33 H new ATOM 0 HD1 PHE B 656 -1.816 -1.735 2.242 1.00 25.32 H new ATOM 0 HD2 PHE B 656 -2.526 1.463 4.965 1.00 21.51 H new ATOM 0 HE1 PHE B 656 -1.039 -3.144 4.098 1.00 60.44 H new ATOM 0 HE2 PHE B 656 -1.746 0.057 6.823 1.00 64.52 H new ATOM 0 HZ PHE B 656 -0.998 -2.250 6.392 1.00 30.21 H new ATOM 976 N MET B 657 -5.644 -0.269 2.340 1.00 21.01 N ATOM 977 CA MET B 657 -6.708 -1.022 2.991 1.00 14.44 C ATOM 978 C MET B 657 -7.424 -1.927 1.994 1.00 4.31 C ATOM 979 O MET B 657 -7.676 -3.098 2.273 1.00 41.50 O ATOM 980 CB MET B 657 -7.711 -0.069 3.645 1.00 42.31 C ATOM 981 CG MET B 657 -7.120 0.749 4.782 1.00 55.22 C ATOM 982 SD MET B 657 -8.370 1.315 5.952 1.00 32.23 S ATOM 983 CE MET B 657 -9.062 2.706 5.061 1.00 40.13 C ATOM 0 H MET B 657 -5.844 0.724 2.218 1.00 21.01 H new ATOM 0 HA MET B 657 -6.256 -1.647 3.761 1.00 14.44 H new ATOM 0 HB2 MET B 657 -8.103 0.609 2.887 1.00 42.31 H new ATOM 0 HB3 MET B 657 -8.554 -0.646 4.024 1.00 42.31 H new ATOM 0 HG2 MET B 657 -6.379 0.148 5.310 1.00 55.22 H new ATOM 0 HG3 MET B 657 -6.596 1.612 4.370 1.00 55.22 H new ATOM 0 HE1 MET B 657 -8.851 3.627 5.604 1.00 40.13 H new ATOM 0 HE2 MET B 657 -8.616 2.760 4.068 1.00 40.13 H new ATOM 0 HE3 MET B 657 -10.141 2.579 4.968 1.00 40.13 H new ATOM 993 N MET B 658 -7.750 -1.374 0.830 1.00 11.44 N ATOM 994 CA MET B 658 -8.437 -2.133 -0.210 1.00 22.04 C ATOM 995 C MET B 658 -7.553 -3.259 -0.735 1.00 24.10 C ATOM 996 O MET B 658 -7.945 -4.426 -0.725 1.00 51.21 O ATOM 997 CB MET B 658 -8.845 -1.209 -1.360 1.00 54.02 C ATOM 998 CG MET B 658 -10.095 -0.394 -1.070 1.00 21.44 C ATOM 999 SD MET B 658 -10.815 0.324 -2.559 1.00 31.34 S ATOM 1000 CE MET B 658 -9.345 0.911 -3.397 1.00 24.23 C ATOM 0 H MET B 658 -7.550 -0.405 0.583 1.00 11.44 H new ATOM 0 HA MET B 658 -9.333 -2.573 0.228 1.00 22.04 H new ATOM 0 HB2 MET B 658 -8.021 -0.530 -1.579 1.00 54.02 H new ATOM 0 HB3 MET B 658 -9.011 -1.808 -2.255 1.00 54.02 H new ATOM 0 HG2 MET B 658 -10.834 -1.030 -0.584 1.00 21.44 H new ATOM 0 HG3 MET B 658 -9.850 0.403 -0.368 1.00 21.44 H new ATOM 0 HE1 MET B 658 -9.597 1.777 -4.010 1.00 24.23 H new ATOM 0 HE2 MET B 658 -8.594 1.195 -2.659 1.00 24.23 H new ATOM 0 HE3 MET B 658 -8.948 0.120 -4.033 1.00 24.23 H new ATOM 1010 N LEU B 659 -6.359 -2.901 -1.195 1.00 10.20 N ATOM 1011 CA LEU B 659 -5.419 -3.882 -1.725 1.00 2.01 C ATOM 1012 C LEU B 659 -5.172 -5.001 -0.717 1.00 2.42 C ATOM 1013 O LEU B 659 -5.198 -6.181 -1.066 1.00 34.02 O ATOM 1014 CB LEU B 659 -4.096 -3.206 -2.087 1.00 31.34 C ATOM 1015 CG LEU B 659 -4.121 -2.297 -3.317 1.00 34.34 C ATOM 1016 CD1 LEU B 659 -2.717 -1.820 -3.657 1.00 73.40 C ATOM 1017 CD2 LEU B 659 -4.743 -3.019 -4.502 1.00 54.24 C ATOM 0 H LEU B 659 -6.019 -1.939 -1.212 1.00 10.20 H new ATOM 0 HA LEU B 659 -5.856 -4.318 -2.624 1.00 2.01 H new ATOM 0 HB2 LEU B 659 -3.766 -2.617 -1.231 1.00 31.34 H new ATOM 0 HB3 LEU B 659 -3.347 -3.981 -2.248 1.00 31.34 H new ATOM 0 HG LEU B 659 -4.733 -1.425 -3.088 1.00 34.34 H new ATOM 0 HD11 LEU B 659 -2.755 -1.175 -4.535 1.00 73.40 H new ATOM 0 HD12 LEU B 659 -2.308 -1.263 -2.814 1.00 73.40 H new ATOM 0 HD13 LEU B 659 -2.081 -2.680 -3.866 1.00 73.40 H new ATOM 0 HD21 LEU B 659 -4.752 -2.357 -5.368 1.00 54.24 H new ATOM 0 HD22 LEU B 659 -4.159 -3.910 -4.733 1.00 54.24 H new ATOM 0 HD23 LEU B 659 -5.765 -3.309 -4.256 1.00 54.24 H new ATOM 1029 N GLY B 660 -4.935 -4.621 0.535 1.00 3.02 N ATOM 1030 CA GLY B 660 -4.690 -5.603 1.574 1.00 53.21 C ATOM 1031 C GLY B 660 -5.868 -6.534 1.781 1.00 14.32 C ATOM 1032 O GLY B 660 -5.719 -7.754 1.738 1.00 52.12 O ATOM 0 H GLY B 660 -4.908 -3.650 0.848 1.00 3.02 H new ATOM 0 HA2 GLY B 660 -3.809 -6.189 1.315 1.00 53.21 H new ATOM 0 HA3 GLY B 660 -4.468 -5.090 2.510 1.00 53.21 H new ATOM 1036 N GLY B 661 -7.044 -5.957 2.010 1.00 5.12 N ATOM 1037 CA GLY B 661 -8.235 -6.758 2.223 1.00 71.30 C ATOM 1038 C GLY B 661 -8.656 -7.514 0.979 1.00 3.12 C ATOM 1039 O GLY B 661 -9.230 -8.600 1.066 1.00 11.33 O ATOM 0 H GLY B 661 -7.193 -4.949 2.052 1.00 5.12 H new ATOM 0 HA2 GLY B 661 -8.053 -7.467 3.031 1.00 71.30 H new ATOM 0 HA3 GLY B 661 -9.051 -6.111 2.545 1.00 71.30 H new ATOM 1043 N THR B 662 -8.372 -6.938 -0.186 1.00 50.35 N ATOM 1044 CA THR B 662 -8.728 -7.563 -1.454 1.00 53.12 C ATOM 1045 C THR B 662 -7.809 -8.740 -1.764 1.00 33.14 C ATOM 1046 O THR B 662 -8.271 -9.856 -2.001 1.00 3.54 O ATOM 1047 CB THR B 662 -8.661 -6.553 -2.615 1.00 53.15 C ATOM 1048 OG1 THR B 662 -9.651 -5.535 -2.436 1.00 30.40 O ATOM 1049 CG2 THR B 662 -8.879 -7.250 -3.951 1.00 15.45 C ATOM 0 H THR B 662 -7.897 -6.040 -0.277 1.00 50.35 H new ATOM 0 HA THR B 662 -9.752 -7.923 -1.354 1.00 53.12 H new ATOM 0 HB THR B 662 -7.670 -6.099 -2.617 1.00 53.15 H new ATOM 0 HG1 THR B 662 -9.320 -4.865 -1.802 1.00 30.40 H new ATOM 0 HG21 THR B 662 -8.827 -6.517 -4.756 1.00 15.45 H new ATOM 0 HG22 THR B 662 -8.107 -8.005 -4.098 1.00 15.45 H new ATOM 0 HG23 THR B 662 -9.859 -7.727 -3.957 1.00 15.45 H new ATOM 1057 N PHE B 663 -6.505 -8.483 -1.759 1.00 42.12 N ATOM 1058 CA PHE B 663 -5.521 -9.521 -2.041 1.00 74.11 C ATOM 1059 C PHE B 663 -5.726 -10.728 -1.129 1.00 2.25 C ATOM 1060 O PHE B 663 -5.888 -11.855 -1.598 1.00 21.44 O ATOM 1061 CB PHE B 663 -4.104 -8.971 -1.866 1.00 0.10 C ATOM 1062 CG PHE B 663 -3.099 -9.601 -2.787 1.00 60.35 C ATOM 1063 CD1 PHE B 663 -3.025 -10.979 -2.915 1.00 22.32 C ATOM 1064 CD2 PHE B 663 -2.227 -8.816 -3.524 1.00 51.04 C ATOM 1065 CE1 PHE B 663 -2.100 -11.561 -3.762 1.00 40.42 C ATOM 1066 CE2 PHE B 663 -1.301 -9.393 -4.373 1.00 53.12 C ATOM 1067 CZ PHE B 663 -1.238 -10.767 -4.492 1.00 75.31 C ATOM 0 H PHE B 663 -6.106 -7.565 -1.563 1.00 42.12 H new ATOM 0 HA PHE B 663 -5.654 -9.842 -3.074 1.00 74.11 H new ATOM 0 HB2 PHE B 663 -4.117 -7.895 -2.037 1.00 0.10 H new ATOM 0 HB3 PHE B 663 -3.787 -9.126 -0.835 1.00 0.10 H new ATOM 0 HD1 PHE B 663 -3.697 -11.605 -2.347 1.00 22.32 H new ATOM 0 HD2 PHE B 663 -2.271 -7.741 -3.434 1.00 51.04 H new ATOM 0 HE1 PHE B 663 -2.052 -12.636 -3.853 1.00 40.42 H new ATOM 0 HE2 PHE B 663 -0.628 -8.770 -4.943 1.00 53.12 H new ATOM 0 HZ PHE B 663 -0.516 -11.220 -5.155 1.00 75.31 H new ATOM 1077 N LEU B 664 -5.719 -10.482 0.176 1.00 15.41 N ATOM 1078 CA LEU B 664 -5.905 -11.547 1.156 1.00 73.01 C ATOM 1079 C LEU B 664 -7.223 -12.278 0.924 1.00 24.21 C ATOM 1080 O LEU B 664 -7.260 -13.507 0.858 1.00 22.31 O ATOM 1081 CB LEU B 664 -5.870 -10.974 2.574 1.00 32.31 C ATOM 1082 CG LEU B 664 -4.538 -10.368 3.021 1.00 51.21 C ATOM 1083 CD1 LEU B 664 -4.522 -10.169 4.528 1.00 20.23 C ATOM 1084 CD2 LEU B 664 -3.378 -11.251 2.585 1.00 23.44 C ATOM 0 H LEU B 664 -5.587 -9.555 0.580 1.00 15.41 H new ATOM 0 HA LEU B 664 -5.090 -12.261 1.038 1.00 73.01 H new ATOM 0 HB2 LEU B 664 -6.640 -10.207 2.653 1.00 32.31 H new ATOM 0 HB3 LEU B 664 -6.138 -11.768 3.272 1.00 32.31 H new ATOM 0 HG LEU B 664 -4.425 -9.394 2.545 1.00 51.21 H new ATOM 0 HD11 LEU B 664 -3.567 -9.737 4.828 1.00 20.23 H new ATOM 0 HD12 LEU B 664 -5.330 -9.496 4.815 1.00 20.23 H new ATOM 0 HD13 LEU B 664 -4.657 -11.130 5.023 1.00 20.23 H new ATOM 0 HD21 LEU B 664 -2.439 -10.805 2.911 1.00 23.44 H new ATOM 0 HD22 LEU B 664 -3.485 -12.239 3.032 1.00 23.44 H new ATOM 0 HD23 LEU B 664 -3.378 -11.342 1.499 1.00 23.44 H new ATOM 1096 N TYR B 665 -8.303 -11.514 0.798 1.00 51.11 N ATOM 1097 CA TYR B 665 -9.623 -12.089 0.572 1.00 51.43 C ATOM 1098 C TYR B 665 -9.630 -12.963 -0.678 1.00 50.42 C ATOM 1099 O TYR B 665 -10.148 -14.080 -0.664 1.00 73.03 O ATOM 1100 CB TYR B 665 -10.670 -10.981 0.439 1.00 74.42 C ATOM 1101 CG TYR B 665 -11.979 -11.452 -0.149 1.00 4.42 C ATOM 1102 CD1 TYR B 665 -12.190 -11.443 -1.523 1.00 73.23 C ATOM 1103 CD2 TYR B 665 -13.008 -11.905 0.667 1.00 74.44 C ATOM 1104 CE1 TYR B 665 -13.386 -11.873 -2.065 1.00 64.30 C ATOM 1105 CE2 TYR B 665 -14.206 -12.338 0.134 1.00 4.12 C ATOM 1106 CZ TYR B 665 -14.391 -12.319 -1.233 1.00 50.03 C ATOM 1107 OH TYR B 665 -15.584 -12.748 -1.768 1.00 62.41 O ATOM 0 H TYR B 665 -8.290 -10.495 0.849 1.00 51.11 H new ATOM 0 HA TYR B 665 -9.871 -12.713 1.431 1.00 51.43 H new ATOM 0 HB2 TYR B 665 -10.857 -10.550 1.423 1.00 74.42 H new ATOM 0 HB3 TYR B 665 -10.266 -10.185 -0.186 1.00 74.42 H new ATOM 0 HD1 TYR B 665 -11.406 -11.094 -2.178 1.00 73.23 H new ATOM 0 HD2 TYR B 665 -12.868 -11.919 1.738 1.00 74.44 H new ATOM 0 HE1 TYR B 665 -13.533 -11.860 -3.135 1.00 64.30 H new ATOM 0 HE2 TYR B 665 -14.994 -12.690 0.784 1.00 4.12 H new ATOM 0 HH TYR B 665 -16.184 -13.030 -1.046 1.00 62.41 H new ATOM 1117 N TRP B 666 -9.052 -12.447 -1.756 1.00 64.10 N ATOM 1118 CA TRP B 666 -8.991 -13.180 -3.015 1.00 73.32 C ATOM 1119 C TRP B 666 -8.198 -14.472 -2.855 1.00 55.32 C ATOM 1120 O TRP B 666 -8.674 -15.552 -3.208 1.00 33.22 O ATOM 1121 CB TRP B 666 -8.360 -12.311 -4.105 1.00 52.24 C ATOM 1122 CG TRP B 666 -9.008 -12.476 -5.446 1.00 72.11 C ATOM 1123 CD1 TRP B 666 -10.110 -11.817 -5.910 1.00 51.42 C ATOM 1124 CD2 TRP B 666 -8.594 -13.358 -6.495 1.00 54.33 C ATOM 1125 NE1 TRP B 666 -10.407 -12.236 -7.184 1.00 51.15 N ATOM 1126 CE2 TRP B 666 -9.492 -13.181 -7.566 1.00 73.25 C ATOM 1127 CE3 TRP B 666 -7.553 -14.280 -6.634 1.00 31.04 C ATOM 1128 CZ2 TRP B 666 -9.378 -13.892 -8.758 1.00 71.33 C ATOM 1129 CZ3 TRP B 666 -7.441 -14.985 -7.817 1.00 64.13 C ATOM 1130 CH2 TRP B 666 -8.348 -14.787 -8.867 1.00 54.30 C ATOM 0 H TRP B 666 -8.619 -11.524 -1.784 1.00 64.10 H new ATOM 0 HA TRP B 666 -10.009 -13.435 -3.308 1.00 73.32 H new ATOM 0 HB2 TRP B 666 -8.421 -11.265 -3.806 1.00 52.24 H new ATOM 0 HB3 TRP B 666 -7.301 -12.557 -4.188 1.00 52.24 H new ATOM 0 HD1 TRP B 666 -10.667 -11.075 -5.357 1.00 51.42 H new ATOM 0 HE1 TRP B 666 -11.183 -11.898 -7.753 1.00 51.15 H new ATOM 0 HE3 TRP B 666 -6.849 -14.439 -5.831 1.00 31.04 H new ATOM 0 HZ2 TRP B 666 -10.077 -13.743 -9.567 1.00 71.33 H new ATOM 0 HZ3 TRP B 666 -6.641 -15.701 -7.935 1.00 64.13 H new ATOM 0 HH2 TRP B 666 -8.232 -15.352 -9.780 1.00 54.30 H new ATOM 1141 N ARG B 667 -6.987 -14.356 -2.321 1.00 12.20 N ATOM 1142 CA ARG B 667 -6.127 -15.516 -2.115 1.00 15.44 C ATOM 1143 C ARG B 667 -6.828 -16.565 -1.256 1.00 61.41 C ATOM 1144 O ARG B 667 -6.602 -17.764 -1.416 1.00 50.33 O ATOM 1145 CB ARG B 667 -4.815 -15.094 -1.452 1.00 34.13 C ATOM 1146 CG ARG B 667 -3.713 -14.757 -2.443 1.00 2.31 C ATOM 1147 CD ARG B 667 -2.497 -14.169 -1.746 1.00 32.03 C ATOM 1148 NE ARG B 667 -2.017 -15.026 -0.665 1.00 4.31 N ATOM 1149 CZ ARG B 667 -2.405 -14.899 0.600 1.00 62.53 C ATOM 1150 NH1 ARG B 667 -3.271 -13.955 0.940 1.00 21.20 N ATOM 1151 NH2 ARG B 667 -1.924 -15.717 1.527 1.00 20.21 N ATOM 0 H ARG B 667 -6.578 -13.470 -2.023 1.00 12.20 H new ATOM 0 HA ARG B 667 -5.909 -15.953 -3.089 1.00 15.44 H new ATOM 0 HB2 ARG B 667 -5.000 -14.226 -0.819 1.00 34.13 H new ATOM 0 HB3 ARG B 667 -4.472 -15.897 -0.800 1.00 34.13 H new ATOM 0 HG2 ARG B 667 -3.423 -15.657 -2.986 1.00 2.31 H new ATOM 0 HG3 ARG B 667 -4.090 -14.048 -3.180 1.00 2.31 H new ATOM 0 HD2 ARG B 667 -1.699 -14.022 -2.473 1.00 32.03 H new ATOM 0 HD3 ARG B 667 -2.749 -13.187 -1.345 1.00 32.03 H new ATOM 0 HE ARG B 667 -1.348 -15.761 -0.893 1.00 4.31 H new ATOM 0 HH11 ARG B 667 -3.642 -13.323 0.230 1.00 21.20 H new ATOM 0 HH12 ARG B 667 -3.567 -13.860 1.912 1.00 21.20 H new ATOM 0 HH21 ARG B 667 -1.256 -16.444 1.269 1.00 20.21 H new ATOM 0 HH22 ARG B 667 -2.222 -15.619 2.498 1.00 20.21 H new ATOM 1165 N GLY B 668 -7.679 -16.105 -0.345 1.00 54.32 N ATOM 1166 CA GLY B 668 -8.399 -17.017 0.526 1.00 31.11 C ATOM 1167 C GLY B 668 -9.658 -17.562 -0.119 1.00 10.23 C ATOM 1168 O GLY B 668 -10.093 -18.670 0.192 1.00 55.52 O ATOM 0 H GLY B 668 -7.883 -15.117 -0.194 1.00 54.32 H new ATOM 0 HA2 GLY B 668 -7.746 -17.846 0.798 1.00 31.11 H new ATOM 0 HA3 GLY B 668 -8.662 -16.501 1.450 1.00 31.11 H new ATOM 1172 N ARG B 669 -10.246 -16.780 -1.019 1.00 33.32 N ATOM 1173 CA ARG B 669 -11.464 -17.189 -1.707 1.00 33.22 C ATOM 1174 C ARG B 669 -11.171 -18.283 -2.728 1.00 53.34 C ATOM 1175 O ARG B 669 -11.627 -19.417 -2.585 1.00 42.34 O ATOM 1176 CB ARG B 669 -12.111 -15.989 -2.401 1.00 61.21 C ATOM 1177 CG ARG B 669 -13.396 -15.522 -1.739 1.00 25.12 C ATOM 1178 CD ARG B 669 -14.482 -16.584 -1.820 1.00 23.33 C ATOM 1179 NE ARG B 669 -15.109 -16.626 -3.138 1.00 41.21 N ATOM 1180 CZ ARG B 669 -16.305 -17.156 -3.365 1.00 4.44 C ATOM 1181 NH1 ARG B 669 -17.001 -17.685 -2.368 1.00 33.44 N ATOM 1182 NH2 ARG B 669 -16.810 -17.158 -4.593 1.00 22.14 N ATOM 0 H ARG B 669 -9.898 -15.860 -1.288 1.00 33.32 H new ATOM 0 HA ARG B 669 -12.155 -17.586 -0.963 1.00 33.22 H new ATOM 0 HB2 ARG B 669 -11.400 -15.163 -2.418 1.00 61.21 H new ATOM 0 HB3 ARG B 669 -12.321 -16.250 -3.438 1.00 61.21 H new ATOM 0 HG2 ARG B 669 -13.201 -15.278 -0.695 1.00 25.12 H new ATOM 0 HG3 ARG B 669 -13.743 -14.608 -2.220 1.00 25.12 H new ATOM 0 HD2 ARG B 669 -14.053 -17.560 -1.592 1.00 23.33 H new ATOM 0 HD3 ARG B 669 -15.241 -16.385 -1.064 1.00 23.33 H new ATOM 0 HE ARG B 669 -14.601 -16.227 -3.927 1.00 41.21 H new ATOM 0 HH11 ARG B 669 -16.618 -17.686 -1.423 1.00 33.44 H new ATOM 0 HH12 ARG B 669 -17.919 -18.091 -2.546 1.00 33.44 H new ATOM 0 HH21 ARG B 669 -16.279 -16.752 -5.363 1.00 22.14 H new ATOM 0 HH22 ARG B 669 -17.729 -17.566 -4.766 1.00 22.14 H new ATOM 1196 N ARG B 670 -10.406 -17.935 -3.758 1.00 2.40 N ATOM 1197 CA ARG B 670 -10.053 -18.887 -4.804 1.00 52.12 C ATOM 1198 C ARG B 670 -8.540 -19.065 -4.890 1.00 54.14 C ATOM 1199 O ARG B 670 -7.910 -18.647 -5.861 1.00 63.41 O ATOM 1200 CB ARG B 670 -10.600 -18.421 -6.155 1.00 75.10 C ATOM 1201 CG ARG B 670 -10.682 -16.909 -6.288 1.00 1.40 C ATOM 1202 CD ARG B 670 -11.225 -16.498 -7.648 1.00 51.55 C ATOM 1203 NE ARG B 670 -12.085 -15.321 -7.562 1.00 52.14 N ATOM 1204 CZ ARG B 670 -13.362 -15.369 -7.201 1.00 4.24 C ATOM 1205 NH1 ARG B 670 -13.926 -16.530 -6.896 1.00 35.44 N ATOM 1206 NH2 ARG B 670 -14.079 -14.254 -7.147 1.00 11.31 N ATOM 0 H ARG B 670 -10.019 -17.001 -3.890 1.00 2.40 H new ATOM 0 HA ARG B 670 -10.501 -19.848 -4.551 1.00 52.12 H new ATOM 0 HB2 ARG B 670 -9.966 -18.814 -6.950 1.00 75.10 H new ATOM 0 HB3 ARG B 670 -11.593 -18.845 -6.301 1.00 75.10 H new ATOM 0 HG2 ARG B 670 -11.323 -16.508 -5.503 1.00 1.40 H new ATOM 0 HG3 ARG B 670 -9.692 -16.476 -6.144 1.00 1.40 H new ATOM 0 HD2 ARG B 670 -10.394 -16.291 -8.322 1.00 51.55 H new ATOM 0 HD3 ARG B 670 -11.787 -17.327 -8.079 1.00 51.55 H new ATOM 0 HE ARG B 670 -11.683 -14.412 -7.792 1.00 52.14 H new ATOM 0 HH11 ARG B 670 -13.379 -17.390 -6.938 1.00 35.44 H new ATOM 0 HH12 ARG B 670 -14.907 -16.563 -6.619 1.00 35.44 H new ATOM 0 HH21 ARG B 670 -13.649 -13.359 -7.383 1.00 11.31 H new ATOM 0 HH22 ARG B 670 -15.060 -14.291 -6.870 1.00 11.31 H new ATOM 1220 N HIS B 671 -7.963 -19.686 -3.866 1.00 41.14 N ATOM 1221 CA HIS B 671 -6.524 -19.919 -3.826 1.00 51.44 C ATOM 1222 C HIS B 671 -6.063 -20.689 -5.060 1.00 15.35 C ATOM 1223 O HIS B 671 -4.942 -20.506 -5.536 1.00 74.21 O ATOM 1224 CB HIS B 671 -6.146 -20.689 -2.559 1.00 63.13 C ATOM 1225 CG HIS B 671 -6.922 -21.956 -2.374 1.00 64.02 C ATOM 1226 ND1 HIS B 671 -6.540 -23.161 -2.924 1.00 63.53 N ATOM 1227 CD2 HIS B 671 -8.066 -22.201 -1.693 1.00 42.42 C ATOM 1228 CE1 HIS B 671 -7.414 -24.092 -2.591 1.00 42.41 C ATOM 1229 NE2 HIS B 671 -8.351 -23.537 -1.844 1.00 32.31 N ATOM 0 H HIS B 671 -8.470 -20.037 -3.053 1.00 41.14 H new ATOM 0 HA HIS B 671 -6.024 -18.950 -3.817 1.00 51.44 H new ATOM 0 HB2 HIS B 671 -5.082 -20.926 -2.591 1.00 63.13 H new ATOM 0 HB3 HIS B 671 -6.303 -20.046 -1.693 1.00 63.13 H new ATOM 0 HD2 HIS B 671 -8.646 -21.481 -1.135 1.00 42.42 H new ATOM 0 HE1 HIS B 671 -7.370 -25.132 -2.880 1.00 42.41 H new ATOM 0 HE2 HIS B 671 -9.155 -24.021 -1.444 1.00 32.31 H new ATOM 1237 N HIS B 672 -6.935 -21.551 -5.574 1.00 12.33 N ATOM 1238 CA HIS B 672 -6.618 -22.349 -6.753 1.00 74.44 C ATOM 1239 C HIS B 672 -6.480 -21.463 -7.987 1.00 41.51 C ATOM 1240 O HIS B 672 -7.469 -20.935 -8.498 1.00 41.31 O ATOM 1241 CB HIS B 672 -7.697 -23.405 -6.986 1.00 51.20 C ATOM 1242 CG HIS B 672 -7.309 -24.448 -7.988 1.00 31.54 C ATOM 1243 ND1 HIS B 672 -8.190 -24.969 -8.911 1.00 44.11 N ATOM 1244 CD2 HIS B 672 -6.125 -25.066 -8.211 1.00 33.45 C ATOM 1245 CE1 HIS B 672 -7.566 -25.863 -9.658 1.00 32.41 C ATOM 1246 NE2 HIS B 672 -6.311 -25.940 -9.252 1.00 65.00 N ATOM 0 H HIS B 672 -7.867 -21.715 -5.192 1.00 12.33 H new ATOM 0 HA HIS B 672 -5.665 -22.848 -6.578 1.00 74.44 H new ATOM 0 HB2 HIS B 672 -7.928 -23.892 -6.038 1.00 51.20 H new ATOM 0 HB3 HIS B 672 -8.609 -22.912 -7.322 1.00 51.20 H new ATOM 0 HD2 HIS B 672 -5.205 -24.901 -7.670 1.00 33.45 H new ATOM 0 HE1 HIS B 672 -8.007 -26.433 -10.463 1.00 32.41 H new ATOM 0 HE2 HIS B 672 -5.596 -26.550 -9.648 1.00 65.00 H new ATOM 1254 N HIS B 673 -5.249 -21.304 -8.462 1.00 12.42 N ATOM 1255 CA HIS B 673 -4.983 -20.482 -9.637 1.00 10.34 C ATOM 1256 C HIS B 673 -3.618 -20.811 -10.233 1.00 34.23 C ATOM 1257 O HIS B 673 -2.583 -20.562 -9.613 1.00 22.41 O ATOM 1258 CB HIS B 673 -5.050 -18.998 -9.273 1.00 40.23 C ATOM 1259 CG HIS B 673 -5.098 -18.091 -10.464 1.00 24.50 C ATOM 1260 ND1 HIS B 673 -6.199 -17.989 -11.290 1.00 74.44 N ATOM 1261 CD2 HIS B 673 -4.174 -17.239 -10.966 1.00 53.24 C ATOM 1262 CE1 HIS B 673 -5.948 -17.116 -12.249 1.00 74.33 C ATOM 1263 NE2 HIS B 673 -4.726 -16.646 -12.075 1.00 20.33 N ATOM 0 H HIS B 673 -4.420 -21.733 -8.051 1.00 12.42 H new ATOM 0 HA HIS B 673 -5.747 -20.700 -10.383 1.00 10.34 H new ATOM 0 HB2 HIS B 673 -5.932 -18.823 -8.657 1.00 40.23 H new ATOM 0 HB3 HIS B 673 -4.182 -18.742 -8.666 1.00 40.23 H new ATOM 0 HD2 HIS B 673 -3.186 -17.059 -10.568 1.00 53.24 H new ATOM 0 HE1 HIS B 673 -6.627 -16.834 -13.041 1.00 74.33 H new ATOM 0 HE2 HIS B 673 -4.267 -15.955 -12.668 1.00 20.33 H new ATOM 1271 N HIS B 674 -3.623 -21.371 -11.438 1.00 44.14 N ATOM 1272 CA HIS B 674 -2.384 -21.735 -12.117 1.00 21.35 C ATOM 1273 C HIS B 674 -2.229 -20.954 -13.419 1.00 35.24 C ATOM 1274 O HIS B 674 -2.839 -21.290 -14.434 1.00 53.25 O ATOM 1275 CB HIS B 674 -2.357 -23.237 -12.404 1.00 31.53 C ATOM 1276 CG HIS B 674 -1.180 -23.668 -13.224 1.00 70.51 C ATOM 1277 ND1 HIS B 674 -0.008 -24.138 -12.670 1.00 41.12 N ATOM 1278 CD2 HIS B 674 -0.999 -23.700 -14.565 1.00 13.14 C ATOM 1279 CE1 HIS B 674 0.843 -24.438 -13.635 1.00 54.34 C ATOM 1280 NE2 HIS B 674 0.266 -24.183 -14.794 1.00 4.25 N ATOM 0 H HIS B 674 -4.471 -21.583 -11.965 1.00 44.14 H new ATOM 0 HA HIS B 674 -1.551 -21.483 -11.461 1.00 21.35 H new ATOM 0 HB2 HIS B 674 -2.349 -23.779 -11.459 1.00 31.53 H new ATOM 0 HB3 HIS B 674 -3.274 -23.516 -12.924 1.00 31.53 H new ATOM 0 HD2 HIS B 674 -1.716 -23.401 -15.315 1.00 13.14 H new ATOM 0 HE1 HIS B 674 1.842 -24.826 -13.498 1.00 54.34 H new ATOM 0 HE2 HIS B 674 0.691 -24.322 -15.711 1.00 4.25 H new ATOM 1288 N HIS B 675 -1.409 -19.908 -13.381 1.00 5.01 N ATOM 1289 CA HIS B 675 -1.173 -19.078 -14.557 1.00 4.54 C ATOM 1290 C HIS B 675 -0.316 -19.816 -15.580 1.00 54.24 C ATOM 1291 O HIS B 675 -0.733 -20.028 -16.719 1.00 40.52 O ATOM 1292 CB HIS B 675 -0.496 -17.768 -14.156 1.00 3.12 C ATOM 1293 CG HIS B 675 -1.137 -16.553 -14.755 1.00 43.05 C ATOM 1294 ND1 HIS B 675 -1.683 -15.539 -13.997 1.00 2.32 N ATOM 1295 CD2 HIS B 675 -1.317 -16.193 -16.047 1.00 31.21 C ATOM 1296 CE1 HIS B 675 -2.172 -14.609 -14.797 1.00 35.21 C ATOM 1297 NE2 HIS B 675 -1.962 -14.982 -16.047 1.00 33.14 N ATOM 0 H HIS B 675 -0.897 -19.615 -12.549 1.00 5.01 H new ATOM 0 HA HIS B 675 -2.138 -18.854 -15.012 1.00 4.54 H new ATOM 0 HB2 HIS B 675 -0.512 -17.678 -13.070 1.00 3.12 H new ATOM 0 HB3 HIS B 675 0.551 -17.802 -14.458 1.00 3.12 H new ATOM 0 HD2 HIS B 675 -1.010 -16.755 -16.917 1.00 31.21 H new ATOM 0 HE1 HIS B 675 -2.660 -13.698 -14.483 1.00 35.21 H new ATOM 0 HE2 HIS B 675 -2.235 -14.455 -16.877 1.00 33.14 H new ATOM 1305 N HIS B 676 0.886 -20.204 -15.166 1.00 71.34 N ATOM 1306 CA HIS B 676 1.804 -20.920 -16.047 1.00 23.35 C ATOM 1307 C HIS B 676 3.020 -21.420 -15.273 1.00 30.34 C ATOM 1308 O HIS B 676 3.964 -20.667 -15.030 1.00 74.20 O ATOM 1309 CB HIS B 676 2.252 -20.014 -17.195 1.00 33.14 C ATOM 1310 CG HIS B 676 1.719 -20.433 -18.530 1.00 24.34 C ATOM 1311 ND1 HIS B 676 1.086 -19.564 -19.394 1.00 12.12 N ATOM 1312 CD2 HIS B 676 1.729 -21.636 -19.150 1.00 21.24 C ATOM 1313 CE1 HIS B 676 0.728 -20.215 -20.486 1.00 1.04 C ATOM 1314 NE2 HIS B 676 1.107 -21.474 -20.364 1.00 14.15 N ATOM 0 H HIS B 676 1.247 -20.035 -14.227 1.00 71.34 H new ATOM 0 HA HIS B 676 1.278 -21.782 -16.458 1.00 23.35 H new ATOM 0 HB2 HIS B 676 1.930 -18.993 -16.988 1.00 33.14 H new ATOM 0 HB3 HIS B 676 3.341 -20.003 -17.235 1.00 33.14 H new ATOM 0 HD2 HIS B 676 2.148 -22.553 -18.762 1.00 21.24 H new ATOM 0 HE1 HIS B 676 0.213 -19.790 -21.335 1.00 1.04 H new ATOM 0 HE2 HIS B 676 0.962 -22.207 -21.058 1.00 14.15 H new TER 1322 HIS B 676