USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 637 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 640 THR OG1 : rot 180:sc= 0 USER MOD Single : A 641 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-0.89) USER MOD Single : A 643 THR OG1 : rot 85:sc= 0.343 USER MOD Single : A 644 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 647 THR OG1 : rot 71:sc= 0.541 USER MOD Single : A 657 MET CE :methyl -132:sc=-0.00841 (180deg=-1.7!) USER MOD Single : A 658 MET CE :methyl -148:sc= -1.99 (180deg=-4.13!) USER MOD Single : A 662 THR OG1 : rot 79:sc= 1.17 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 X(o=0,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= -0.16 K(o=-0.16,f=-0.72) USER MOD Single : A 675 HIS : no HD1:sc= -0.0796 X(o=-0.08,f=-0.33) USER MOD Single : A 676 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.047) USER MOD Single : B 637 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 640 THR OG1 : rot 180:sc= -0.0163 USER MOD Single : B 641 HIS : no HD1:sc=-0.00497 X(o=-0.005,f=-0.0023) USER MOD Single : B 643 THR OG1 : rot 85:sc= 0.404 USER MOD Single : B 644 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 647 THR OG1 : rot 69:sc= 0.486 USER MOD Single : B 657 MET CE :methyl -132:sc= -0.0035 (180deg=-1.72!) USER MOD Single : B 658 MET CE :methyl -149:sc= -1.97 (180deg=-4.03!) USER MOD Single : B 662 THR OG1 : rot 82:sc= 1.13 USER MOD Single : B 665 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HE2:sc=-0.00516 X(o=-0.0052,f=-0.29) USER MOD Single : B 672 HIS : no HD1:sc= -0.0449 X(o=-0.045,f=0) USER MOD Single : B 673 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.2) USER MOD Single : B 674 HIS : no HE2:sc= -0.0689 K(o=-0.069,f=-1.3) USER MOD Single : B 675 HIS : no HD1:sc= -0.375 K(o=-0.38,f=-1.9) USER MOD Single : B 676 HIS : no HD1:sc= -0.0982 X(o=-0.098,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 637 -0.772 29.530 7.181 1.00 75.45 N ATOM 2 CA MET A 637 -1.312 28.197 6.937 1.00 53.02 C ATOM 3 C MET A 637 -0.567 27.149 7.758 1.00 12.12 C ATOM 4 O MET A 637 -1.111 26.092 8.074 1.00 24.34 O ATOM 5 CB MET A 637 -1.225 27.853 5.449 1.00 71.12 C ATOM 6 CG MET A 637 -2.269 28.560 4.599 1.00 53.43 C ATOM 7 SD MET A 637 -2.042 28.268 2.835 1.00 2.21 S ATOM 8 CE MET A 637 -3.724 28.440 2.243 1.00 14.34 C ATOM 0 HA MET A 637 -2.358 28.195 7.243 1.00 53.02 H new ATOM 0 HB2 MET A 637 -0.232 28.114 5.082 1.00 71.12 H new ATOM 0 HB3 MET A 637 -1.338 26.776 5.326 1.00 71.12 H new ATOM 0 HG2 MET A 637 -3.262 28.222 4.894 1.00 53.43 H new ATOM 0 HG3 MET A 637 -2.226 29.631 4.794 1.00 53.43 H new ATOM 0 HE1 MET A 637 -3.748 28.286 1.164 1.00 14.34 H new ATOM 0 HE2 MET A 637 -4.358 27.699 2.729 1.00 14.34 H new ATOM 0 HE3 MET A 637 -4.091 29.440 2.475 1.00 14.34 H new ATOM 18 N GLY A 638 0.683 27.450 8.100 1.00 20.34 N ATOM 19 CA GLY A 638 1.482 26.524 8.880 1.00 53.24 C ATOM 20 C GLY A 638 2.670 25.988 8.106 1.00 22.32 C ATOM 21 O GLY A 638 2.586 25.774 6.896 1.00 71.04 O ATOM 0 H GLY A 638 1.156 28.319 7.850 1.00 20.34 H new ATOM 0 HA2 GLY A 638 1.836 27.024 9.782 1.00 53.24 H new ATOM 0 HA3 GLY A 638 0.857 25.691 9.202 1.00 53.24 H new ATOM 25 N ARG A 639 3.781 25.774 8.804 1.00 4.32 N ATOM 26 CA ARG A 639 4.992 25.263 8.174 1.00 62.45 C ATOM 27 C ARG A 639 5.463 23.982 8.857 1.00 24.15 C ATOM 28 O ARG A 639 6.006 23.085 8.212 1.00 72.32 O ATOM 29 CB ARG A 639 6.100 26.316 8.222 1.00 30.40 C ATOM 30 CG ARG A 639 5.743 27.610 7.508 1.00 33.22 C ATOM 31 CD ARG A 639 5.402 27.364 6.047 1.00 42.04 C ATOM 32 NE ARG A 639 5.360 28.605 5.277 1.00 12.52 N ATOM 33 CZ ARG A 639 4.350 29.467 5.329 1.00 21.23 C ATOM 34 NH1 ARG A 639 3.305 29.224 6.109 1.00 61.35 N ATOM 35 NH2 ARG A 639 4.385 30.575 4.599 1.00 34.01 N ATOM 0 H ARG A 639 3.867 25.947 9.806 1.00 4.32 H new ATOM 0 HA ARG A 639 4.761 25.035 7.133 1.00 62.45 H new ATOM 0 HB2 ARG A 639 6.333 26.538 9.263 1.00 30.40 H new ATOM 0 HB3 ARG A 639 7.003 25.901 7.774 1.00 30.40 H new ATOM 0 HG2 ARG A 639 4.895 28.080 8.006 1.00 33.22 H new ATOM 0 HG3 ARG A 639 6.579 28.307 7.575 1.00 33.22 H new ATOM 0 HD2 ARG A 639 6.141 26.692 5.611 1.00 42.04 H new ATOM 0 HD3 ARG A 639 4.436 26.863 5.980 1.00 42.04 H new ATOM 0 HE ARG A 639 6.148 28.821 4.667 1.00 12.52 H new ATOM 0 HH11 ARG A 639 3.275 28.373 6.671 1.00 61.35 H new ATOM 0 HH12 ARG A 639 2.531 29.888 6.147 1.00 61.35 H new ATOM 0 HH21 ARG A 639 5.187 30.765 3.998 1.00 34.01 H new ATOM 0 HH22 ARG A 639 3.610 31.237 4.639 1.00 34.01 H new ATOM 49 N THR A 640 5.250 23.905 10.167 1.00 40.11 N ATOM 50 CA THR A 640 5.652 22.736 10.938 1.00 55.05 C ATOM 51 C THR A 640 4.709 21.563 10.694 1.00 24.21 C ATOM 52 O THR A 640 5.129 20.405 10.690 1.00 22.03 O ATOM 53 CB THR A 640 5.690 23.044 12.447 1.00 62.31 C ATOM 54 OG1 THR A 640 6.615 24.105 12.707 1.00 15.43 O ATOM 55 CG2 THR A 640 6.089 21.809 13.241 1.00 21.02 C ATOM 0 H THR A 640 4.801 24.639 10.716 1.00 40.11 H new ATOM 0 HA THR A 640 6.654 22.468 10.604 1.00 55.05 H new ATOM 0 HB THR A 640 4.691 23.350 12.759 1.00 62.31 H new ATOM 0 HG1 THR A 640 6.632 24.296 13.668 1.00 15.43 H new ATOM 0 HG21 THR A 640 6.109 22.050 14.304 1.00 21.02 H new ATOM 0 HG22 THR A 640 5.366 21.013 13.063 1.00 21.02 H new ATOM 0 HG23 THR A 640 7.078 21.478 12.925 1.00 21.02 H new ATOM 63 N HIS A 641 3.432 21.871 10.488 1.00 53.25 N ATOM 64 CA HIS A 641 2.428 20.841 10.241 1.00 32.21 C ATOM 65 C HIS A 641 2.783 20.023 9.002 1.00 13.35 C ATOM 66 O HIS A 641 2.260 18.927 8.799 1.00 12.25 O ATOM 67 CB HIS A 641 1.048 21.475 10.071 1.00 3.15 C ATOM 68 CG HIS A 641 0.857 22.147 8.746 1.00 31.31 C ATOM 69 ND1 HIS A 641 -0.207 21.879 7.911 1.00 52.54 N ATOM 70 CD2 HIS A 641 1.602 23.083 8.112 1.00 11.41 C ATOM 71 CE1 HIS A 641 -0.108 22.618 6.822 1.00 42.32 C ATOM 72 NE2 HIS A 641 0.981 23.359 6.919 1.00 22.40 N ATOM 0 H HIS A 641 3.068 22.824 10.487 1.00 53.25 H new ATOM 0 HA HIS A 641 2.408 20.173 11.102 1.00 32.21 H new ATOM 0 HB2 HIS A 641 0.286 20.705 10.192 1.00 3.15 H new ATOM 0 HB3 HIS A 641 0.892 22.205 10.865 1.00 3.15 H new ATOM 0 HD2 HIS A 641 2.515 23.530 8.477 1.00 11.41 H new ATOM 0 HE1 HIS A 641 -0.800 22.617 5.993 1.00 42.32 H new ATOM 0 HE2 HIS A 641 1.308 24.027 6.221 1.00 22.40 H new ATOM 80 N LEU A 642 3.671 20.564 8.177 1.00 75.55 N ATOM 81 CA LEU A 642 4.096 19.885 6.958 1.00 5.42 C ATOM 82 C LEU A 642 4.917 18.642 7.283 1.00 54.35 C ATOM 83 O LEU A 642 4.870 17.645 6.562 1.00 10.24 O ATOM 84 CB LEU A 642 4.912 20.834 6.080 1.00 63.44 C ATOM 85 CG LEU A 642 4.111 21.827 5.237 1.00 4.42 C ATOM 86 CD1 LEU A 642 4.961 23.036 4.883 1.00 0.00 C ATOM 87 CD2 LEU A 642 3.585 21.155 3.977 1.00 52.14 C ATOM 0 H LEU A 642 4.111 21.471 8.329 1.00 75.55 H new ATOM 0 HA LEU A 642 3.203 19.575 6.415 1.00 5.42 H new ATOM 0 HB2 LEU A 642 5.590 21.397 6.721 1.00 63.44 H new ATOM 0 HB3 LEU A 642 5.530 20.236 5.410 1.00 63.44 H new ATOM 0 HG LEU A 642 3.259 22.168 5.826 1.00 4.42 H new ATOM 0 HD11 LEU A 642 4.373 23.731 4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 642 5.287 23.532 5.797 1.00 0.00 H new ATOM 0 HD13 LEU A 642 5.833 22.714 4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 642 3.018 21.877 3.390 1.00 52.14 H new ATOM 0 HD22 LEU A 642 4.422 20.784 3.386 1.00 52.14 H new ATOM 0 HD23 LEU A 642 2.938 20.322 4.252 1.00 52.14 H new ATOM 99 N THR A 643 5.671 18.706 8.377 1.00 10.44 N ATOM 100 CA THR A 643 6.502 17.587 8.800 1.00 54.44 C ATOM 101 C THR A 643 5.659 16.345 9.066 1.00 13.55 C ATOM 102 O THR A 643 5.917 15.278 8.513 1.00 45.22 O ATOM 103 CB THR A 643 7.304 17.930 10.069 1.00 15.25 C ATOM 104 OG1 THR A 643 7.796 19.272 9.990 1.00 22.32 O ATOM 105 CG2 THR A 643 8.468 16.968 10.251 1.00 31.24 C ATOM 0 H THR A 643 5.722 19.523 8.986 1.00 10.44 H new ATOM 0 HA THR A 643 7.196 17.384 7.984 1.00 54.44 H new ATOM 0 HB THR A 643 6.639 17.837 10.928 1.00 15.25 H new ATOM 0 HG1 THR A 643 7.103 19.893 10.297 1.00 22.32 H new ATOM 0 HG21 THR A 643 9.019 17.231 11.154 1.00 31.24 H new ATOM 0 HG22 THR A 643 8.088 15.950 10.341 1.00 31.24 H new ATOM 0 HG23 THR A 643 9.132 17.033 9.389 1.00 31.24 H new ATOM 113 N MET A 644 4.649 16.493 9.918 1.00 11.15 N ATOM 114 CA MET A 644 3.765 15.383 10.256 1.00 74.43 C ATOM 115 C MET A 644 2.995 14.908 9.027 1.00 13.44 C ATOM 116 O MET A 644 2.958 13.715 8.730 1.00 62.42 O ATOM 117 CB MET A 644 2.788 15.798 11.357 1.00 1.34 C ATOM 118 CG MET A 644 3.418 15.855 12.739 1.00 2.14 C ATOM 119 SD MET A 644 2.240 15.494 14.056 1.00 45.10 S ATOM 120 CE MET A 644 1.566 17.125 14.363 1.00 14.14 C ATOM 0 H MET A 644 4.423 17.370 10.387 1.00 11.15 H new ATOM 0 HA MET A 644 4.379 14.559 10.619 1.00 74.43 H new ATOM 0 HB2 MET A 644 2.375 16.777 11.114 1.00 1.34 H new ATOM 0 HB3 MET A 644 1.955 15.096 11.375 1.00 1.34 H new ATOM 0 HG2 MET A 644 4.241 15.142 12.788 1.00 2.14 H new ATOM 0 HG3 MET A 644 3.844 16.846 12.899 1.00 2.14 H new ATOM 0 HE1 MET A 644 0.820 17.067 15.156 1.00 14.14 H new ATOM 0 HE2 MET A 644 2.367 17.798 14.667 1.00 14.14 H new ATOM 0 HE3 MET A 644 1.100 17.503 13.453 1.00 14.14 H new ATOM 130 N ALA A 645 2.380 15.850 8.320 1.00 15.32 N ATOM 131 CA ALA A 645 1.612 15.528 7.124 1.00 2.41 C ATOM 132 C ALA A 645 2.477 14.814 6.091 1.00 11.13 C ATOM 133 O ALA A 645 2.038 13.857 5.453 1.00 22.30 O ATOM 134 CB ALA A 645 1.009 16.791 6.527 1.00 13.44 C ATOM 0 H ALA A 645 2.399 16.842 8.555 1.00 15.32 H new ATOM 0 HA ALA A 645 0.805 14.854 7.412 1.00 2.41 H new ATOM 0 HB1 ALA A 645 0.438 16.535 5.634 1.00 13.44 H new ATOM 0 HB2 ALA A 645 0.349 17.260 7.257 1.00 13.44 H new ATOM 0 HB3 ALA A 645 1.807 17.484 6.261 1.00 13.44 H new ATOM 140 N LEU A 646 3.709 15.285 5.931 1.00 12.24 N ATOM 141 CA LEU A 646 4.637 14.692 4.975 1.00 0.24 C ATOM 142 C LEU A 646 4.919 13.234 5.323 1.00 61.21 C ATOM 143 O LEU A 646 4.938 12.368 4.448 1.00 44.20 O ATOM 144 CB LEU A 646 5.945 15.484 4.946 1.00 62.12 C ATOM 145 CG LEU A 646 5.962 16.720 4.045 1.00 62.31 C ATOM 146 CD1 LEU A 646 6.967 17.740 4.557 1.00 41.11 C ATOM 147 CD2 LEU A 646 6.281 16.329 2.609 1.00 41.33 C ATOM 0 H LEU A 646 4.088 16.076 6.451 1.00 12.24 H new ATOM 0 HA LEU A 646 4.176 14.728 3.988 1.00 0.24 H new ATOM 0 HB2 LEU A 646 6.179 15.798 5.963 1.00 62.12 H new ATOM 0 HB3 LEU A 646 6.744 14.815 4.627 1.00 62.12 H new ATOM 0 HG LEU A 646 4.971 17.174 4.065 1.00 62.31 H new ATOM 0 HD11 LEU A 646 6.965 18.612 3.903 1.00 41.11 H new ATOM 0 HD12 LEU A 646 6.695 18.043 5.568 1.00 41.11 H new ATOM 0 HD13 LEU A 646 7.963 17.296 4.567 1.00 41.11 H new ATOM 0 HD21 LEU A 646 6.289 17.221 1.982 1.00 41.33 H new ATOM 0 HD22 LEU A 646 7.259 15.850 2.571 1.00 41.33 H new ATOM 0 HD23 LEU A 646 5.523 15.636 2.244 1.00 41.33 H new ATOM 159 N THR A 647 5.138 12.969 6.607 1.00 41.13 N ATOM 160 CA THR A 647 5.418 11.616 7.071 1.00 43.22 C ATOM 161 C THR A 647 4.262 10.675 6.753 1.00 52.20 C ATOM 162 O THR A 647 4.469 9.555 6.288 1.00 62.33 O ATOM 163 CB THR A 647 5.687 11.587 8.588 1.00 1.54 C ATOM 164 OG1 THR A 647 6.778 12.457 8.909 1.00 44.55 O ATOM 165 CG2 THR A 647 6.003 10.174 9.054 1.00 65.31 C ATOM 0 H THR A 647 5.127 13.674 7.344 1.00 41.13 H new ATOM 0 HA THR A 647 6.311 11.280 6.544 1.00 43.22 H new ATOM 0 HB THR A 647 4.788 11.929 9.101 1.00 1.54 H new ATOM 0 HG1 THR A 647 6.498 13.389 8.795 1.00 44.55 H new ATOM 0 HG21 THR A 647 6.189 10.178 10.128 1.00 65.31 H new ATOM 0 HG22 THR A 647 5.158 9.521 8.835 1.00 65.31 H new ATOM 0 HG23 THR A 647 6.888 9.809 8.534 1.00 65.31 H new ATOM 173 N VAL A 648 3.041 11.138 7.007 1.00 70.11 N ATOM 174 CA VAL A 648 1.851 10.337 6.746 1.00 30.42 C ATOM 175 C VAL A 648 1.754 9.961 5.272 1.00 10.10 C ATOM 176 O VAL A 648 1.567 8.792 4.930 1.00 72.11 O ATOM 177 CB VAL A 648 0.569 11.086 7.157 1.00 35.24 C ATOM 178 CG1 VAL A 648 -0.665 10.288 6.768 1.00 14.40 C ATOM 179 CG2 VAL A 648 0.579 11.375 8.652 1.00 62.11 C ATOM 0 H VAL A 648 2.851 12.063 7.393 1.00 70.11 H new ATOM 0 HA VAL A 648 1.942 9.431 7.345 1.00 30.42 H new ATOM 0 HB VAL A 648 0.538 12.037 6.625 1.00 35.24 H new ATOM 0 HG11 VAL A 648 -1.560 10.834 7.067 1.00 14.40 H new ATOM 0 HG12 VAL A 648 -0.675 10.137 5.689 1.00 14.40 H new ATOM 0 HG13 VAL A 648 -0.646 9.320 7.270 1.00 14.40 H new ATOM 0 HG21 VAL A 648 -0.333 11.905 8.926 1.00 62.11 H new ATOM 0 HG22 VAL A 648 0.634 10.436 9.204 1.00 62.11 H new ATOM 0 HG23 VAL A 648 1.444 11.991 8.898 1.00 62.11 H new ATOM 189 N ILE A 649 1.884 10.957 4.403 1.00 41.32 N ATOM 190 CA ILE A 649 1.812 10.730 2.965 1.00 65.12 C ATOM 191 C ILE A 649 2.885 9.745 2.510 1.00 0.23 C ATOM 192 O ILE A 649 2.593 8.771 1.816 1.00 14.33 O ATOM 193 CB ILE A 649 1.972 12.045 2.178 1.00 75.15 C ATOM 194 CG1 ILE A 649 0.847 13.018 2.535 1.00 0.22 C ATOM 195 CG2 ILE A 649 1.986 11.768 0.682 1.00 75.24 C ATOM 196 CD1 ILE A 649 0.941 14.341 1.809 1.00 35.53 C ATOM 0 H ILE A 649 2.040 11.929 4.669 1.00 41.32 H new ATOM 0 HA ILE A 649 0.827 10.312 2.761 1.00 65.12 H new ATOM 0 HB ILE A 649 2.923 12.502 2.452 1.00 75.15 H new ATOM 0 HG12 ILE A 649 -0.112 12.553 2.304 1.00 0.22 H new ATOM 0 HG13 ILE A 649 0.862 13.200 3.610 1.00 0.22 H new ATOM 0 HG21 ILE A 649 2.100 12.706 0.139 1.00 75.24 H new ATOM 0 HG22 ILE A 649 2.819 11.107 0.442 1.00 75.24 H new ATOM 0 HG23 ILE A 649 1.050 11.292 0.391 1.00 75.24 H new ATOM 0 HD11 ILE A 649 0.112 14.981 2.110 1.00 35.53 H new ATOM 0 HD12 ILE A 649 1.884 14.827 2.059 1.00 35.53 H new ATOM 0 HD13 ILE A 649 0.895 14.170 0.733 1.00 35.53 H new ATOM 208 N ALA A 650 4.125 10.005 2.908 1.00 55.33 N ATOM 209 CA ALA A 650 5.240 9.139 2.545 1.00 52.14 C ATOM 210 C ALA A 650 5.034 7.724 3.078 1.00 12.05 C ATOM 211 O ALA A 650 5.279 6.744 2.377 1.00 64.21 O ATOM 212 CB ALA A 650 6.548 9.716 3.067 1.00 51.54 C ATOM 0 H ALA A 650 4.383 10.808 3.482 1.00 55.33 H new ATOM 0 HA ALA A 650 5.287 9.086 1.457 1.00 52.14 H new ATOM 0 HB1 ALA A 650 7.372 9.059 2.789 1.00 51.54 H new ATOM 0 HB2 ALA A 650 6.709 10.703 2.634 1.00 51.54 H new ATOM 0 HB3 ALA A 650 6.501 9.799 4.153 1.00 51.54 H new ATOM 218 N GLY A 651 4.583 7.627 4.325 1.00 3.41 N ATOM 219 CA GLY A 651 4.352 6.329 4.931 1.00 55.14 C ATOM 220 C GLY A 651 3.425 5.460 4.105 1.00 13.44 C ATOM 221 O GLY A 651 3.742 4.308 3.808 1.00 21.10 O ATOM 0 H GLY A 651 4.374 8.424 4.926 1.00 3.41 H new ATOM 0 HA2 GLY A 651 5.306 5.817 5.060 1.00 55.14 H new ATOM 0 HA3 GLY A 651 3.926 6.466 5.925 1.00 55.14 H new ATOM 225 N LEU A 652 2.274 6.012 3.735 1.00 64.14 N ATOM 226 CA LEU A 652 1.295 5.279 2.939 1.00 54.31 C ATOM 227 C LEU A 652 1.892 4.849 1.603 1.00 61.11 C ATOM 228 O LEU A 652 1.813 3.680 1.223 1.00 11.22 O ATOM 229 CB LEU A 652 0.053 6.141 2.702 1.00 51.25 C ATOM 230 CG LEU A 652 -0.702 6.588 3.955 1.00 60.31 C ATOM 231 CD1 LEU A 652 -1.799 7.577 3.592 1.00 43.14 C ATOM 232 CD2 LEU A 652 -1.284 5.387 4.685 1.00 70.23 C ATOM 0 H LEU A 652 1.996 6.964 3.973 1.00 64.14 H new ATOM 0 HA LEU A 652 1.009 4.385 3.493 1.00 54.31 H new ATOM 0 HB2 LEU A 652 0.352 7.029 2.146 1.00 51.25 H new ATOM 0 HB3 LEU A 652 -0.635 5.584 2.066 1.00 51.25 H new ATOM 0 HG LEU A 652 0.002 7.086 4.622 1.00 60.31 H new ATOM 0 HD11 LEU A 652 -2.326 7.884 4.496 1.00 43.14 H new ATOM 0 HD12 LEU A 652 -1.357 8.452 3.115 1.00 43.14 H new ATOM 0 HD13 LEU A 652 -2.502 7.105 2.905 1.00 43.14 H new ATOM 0 HD21 LEU A 652 -1.817 5.725 5.574 1.00 70.23 H new ATOM 0 HD22 LEU A 652 -1.974 4.860 4.026 1.00 70.23 H new ATOM 0 HD23 LEU A 652 -0.478 4.715 4.979 1.00 70.23 H new ATOM 244 N VAL A 653 2.492 5.800 0.895 1.00 21.23 N ATOM 245 CA VAL A 653 3.106 5.519 -0.397 1.00 63.12 C ATOM 246 C VAL A 653 4.093 4.362 -0.298 1.00 52.41 C ATOM 247 O VAL A 653 4.016 3.397 -1.059 1.00 24.43 O ATOM 248 CB VAL A 653 3.836 6.757 -0.952 1.00 45.04 C ATOM 249 CG1 VAL A 653 4.679 6.381 -2.162 1.00 45.43 C ATOM 250 CG2 VAL A 653 2.839 7.850 -1.305 1.00 43.14 C ATOM 0 H VAL A 653 2.566 6.772 1.194 1.00 21.23 H new ATOM 0 HA VAL A 653 2.300 5.246 -1.078 1.00 63.12 H new ATOM 0 HB VAL A 653 4.502 7.141 -0.180 1.00 45.04 H new ATOM 0 HG11 VAL A 653 5.187 7.268 -2.541 1.00 45.43 H new ATOM 0 HG12 VAL A 653 5.419 5.635 -1.872 1.00 45.43 H new ATOM 0 HG13 VAL A 653 4.036 5.971 -2.941 1.00 45.43 H new ATOM 0 HG21 VAL A 653 3.372 8.717 -1.695 1.00 43.14 H new ATOM 0 HG22 VAL A 653 2.146 7.480 -2.060 1.00 43.14 H new ATOM 0 HG23 VAL A 653 2.283 8.138 -0.412 1.00 43.14 H new ATOM 260 N VAL A 654 5.021 4.464 0.649 1.00 65.21 N ATOM 261 CA VAL A 654 6.024 3.424 0.851 1.00 25.33 C ATOM 262 C VAL A 654 5.370 2.065 1.072 1.00 21.32 C ATOM 263 O VAL A 654 5.879 1.039 0.621 1.00 61.01 O ATOM 264 CB VAL A 654 6.932 3.747 2.053 1.00 24.05 C ATOM 265 CG1 VAL A 654 7.944 2.633 2.271 1.00 63.43 C ATOM 266 CG2 VAL A 654 7.632 5.082 1.848 1.00 11.44 C ATOM 0 H VAL A 654 5.099 5.255 1.288 1.00 65.21 H new ATOM 0 HA VAL A 654 6.630 3.388 -0.054 1.00 25.33 H new ATOM 0 HB VAL A 654 6.311 3.822 2.946 1.00 24.05 H new ATOM 0 HG11 VAL A 654 8.577 2.878 3.124 1.00 63.43 H new ATOM 0 HG12 VAL A 654 7.419 1.698 2.465 1.00 63.43 H new ATOM 0 HG13 VAL A 654 8.562 2.524 1.380 1.00 63.43 H new ATOM 0 HG21 VAL A 654 8.269 5.294 2.706 1.00 11.44 H new ATOM 0 HG22 VAL A 654 8.242 5.038 0.946 1.00 11.44 H new ATOM 0 HG23 VAL A 654 6.887 5.871 1.745 1.00 11.44 H new ATOM 276 N ILE A 655 4.238 2.066 1.769 1.00 60.33 N ATOM 277 CA ILE A 655 3.514 0.832 2.049 1.00 23.14 C ATOM 278 C ILE A 655 2.941 0.229 0.771 1.00 72.12 C ATOM 279 O ILE A 655 3.166 -0.943 0.471 1.00 42.45 O ATOM 280 CB ILE A 655 2.368 1.068 3.050 1.00 51.50 C ATOM 281 CG1 ILE A 655 2.928 1.482 4.413 1.00 24.23 C ATOM 282 CG2 ILE A 655 1.514 -0.184 3.182 1.00 2.50 C ATOM 283 CD1 ILE A 655 1.963 2.305 5.238 1.00 52.22 C ATOM 0 H ILE A 655 3.803 2.907 2.150 1.00 60.33 H new ATOM 0 HA ILE A 655 4.231 0.137 2.486 1.00 23.14 H new ATOM 0 HB ILE A 655 1.740 1.876 2.675 1.00 51.50 H new ATOM 0 HG12 ILE A 655 3.200 0.587 4.972 1.00 24.23 H new ATOM 0 HG13 ILE A 655 3.844 2.054 4.262 1.00 24.23 H new ATOM 0 HG21 ILE A 655 0.708 -0.002 3.893 1.00 2.50 H new ATOM 0 HG22 ILE A 655 1.090 -0.439 2.211 1.00 2.50 H new ATOM 0 HG23 ILE A 655 2.131 -1.010 3.537 1.00 2.50 H new ATOM 0 HD11 ILE A 655 2.426 2.563 6.190 1.00 52.22 H new ATOM 0 HD12 ILE A 655 1.710 3.218 4.699 1.00 52.22 H new ATOM 0 HD13 ILE A 655 1.056 1.728 5.420 1.00 52.22 H new ATOM 295 N PHE A 656 2.203 1.039 0.020 1.00 34.31 N ATOM 296 CA PHE A 656 1.598 0.586 -1.227 1.00 60.21 C ATOM 297 C PHE A 656 2.666 0.093 -2.201 1.00 14.54 C ATOM 298 O PHE A 656 2.480 -0.914 -2.883 1.00 44.41 O ATOM 299 CB PHE A 656 0.791 1.716 -1.868 1.00 22.34 C ATOM 300 CG PHE A 656 0.388 1.436 -3.288 1.00 53.41 C ATOM 301 CD1 PHE A 656 -0.033 0.171 -3.664 1.00 45.24 C ATOM 302 CD2 PHE A 656 0.429 2.437 -4.244 1.00 71.35 C ATOM 303 CE1 PHE A 656 -0.403 -0.091 -4.970 1.00 30.15 C ATOM 304 CE2 PHE A 656 0.060 2.182 -5.552 1.00 11.40 C ATOM 305 CZ PHE A 656 -0.358 0.917 -5.915 1.00 55.42 C ATOM 0 H PHE A 656 2.009 2.013 0.253 1.00 34.31 H new ATOM 0 HA PHE A 656 0.929 -0.243 -0.997 1.00 60.21 H new ATOM 0 HB2 PHE A 656 -0.105 1.894 -1.273 1.00 22.34 H new ATOM 0 HB3 PHE A 656 1.380 2.633 -1.840 1.00 22.34 H new ATOM 0 HD1 PHE A 656 -0.073 -0.619 -2.929 1.00 45.24 H new ATOM 0 HD2 PHE A 656 0.753 3.429 -3.965 1.00 71.35 H new ATOM 0 HE1 PHE A 656 -0.727 -1.082 -5.252 1.00 30.15 H new ATOM 0 HE2 PHE A 656 0.099 2.971 -6.289 1.00 11.40 H new ATOM 0 HZ PHE A 656 -0.649 0.715 -6.935 1.00 55.42 H new ATOM 315 N MET A 657 3.782 0.811 -2.258 1.00 61.15 N ATOM 316 CA MET A 657 4.879 0.446 -3.148 1.00 12.12 C ATOM 317 C MET A 657 5.586 -0.812 -2.652 1.00 32.03 C ATOM 318 O MET A 657 5.715 -1.791 -3.384 1.00 65.55 O ATOM 319 CB MET A 657 5.880 1.598 -3.256 1.00 24.45 C ATOM 320 CG MET A 657 5.318 2.828 -3.952 1.00 73.25 C ATOM 321 SD MET A 657 6.597 3.827 -4.736 1.00 22.34 S ATOM 322 CE MET A 657 7.578 4.299 -3.313 1.00 43.41 C ATOM 0 H MET A 657 3.951 1.648 -1.700 1.00 61.15 H new ATOM 0 HA MET A 657 4.462 0.242 -4.134 1.00 12.12 H new ATOM 0 HB2 MET A 657 6.211 1.876 -2.255 1.00 24.45 H new ATOM 0 HB3 MET A 657 6.760 1.254 -3.799 1.00 24.45 H new ATOM 0 HG2 MET A 657 4.594 2.516 -4.705 1.00 73.25 H new ATOM 0 HG3 MET A 657 4.780 3.438 -3.226 1.00 73.25 H new ATOM 0 HE1 MET A 657 7.770 5.372 -3.343 1.00 43.41 H new ATOM 0 HE2 MET A 657 7.036 4.053 -2.400 1.00 43.41 H new ATOM 0 HE3 MET A 657 8.525 3.760 -3.329 1.00 43.41 H new ATOM 332 N MET A 658 6.041 -0.776 -1.404 1.00 13.15 N ATOM 333 CA MET A 658 6.734 -1.914 -0.811 1.00 0.22 C ATOM 334 C MET A 658 5.860 -3.163 -0.850 1.00 11.32 C ATOM 335 O MET A 658 6.282 -4.213 -1.337 1.00 2.53 O ATOM 336 CB MET A 658 7.132 -1.601 0.633 1.00 3.34 C ATOM 337 CG MET A 658 8.342 -0.689 0.746 1.00 32.12 C ATOM 338 SD MET A 658 9.082 -0.715 2.390 1.00 35.02 S ATOM 339 CE MET A 658 7.619 -0.644 3.421 1.00 3.34 C ATOM 0 H MET A 658 5.942 0.028 -0.784 1.00 13.15 H new ATOM 0 HA MET A 658 7.634 -2.103 -1.395 1.00 0.22 H new ATOM 0 HB2 MET A 658 6.288 -1.135 1.141 1.00 3.34 H new ATOM 0 HB3 MET A 658 7.342 -2.535 1.154 1.00 3.34 H new ATOM 0 HG2 MET A 658 9.089 -0.990 0.011 1.00 32.12 H new ATOM 0 HG3 MET A 658 8.047 0.331 0.501 1.00 32.12 H new ATOM 0 HE1 MET A 658 7.848 -0.105 4.340 1.00 3.34 H new ATOM 0 HE2 MET A 658 6.822 -0.128 2.886 1.00 3.34 H new ATOM 0 HE3 MET A 658 7.296 -1.656 3.665 1.00 3.34 H new ATOM 349 N LEU A 659 4.641 -3.044 -0.334 1.00 31.32 N ATOM 350 CA LEU A 659 3.708 -4.164 -0.310 1.00 14.12 C ATOM 351 C LEU A 659 3.505 -4.735 -1.710 1.00 15.12 C ATOM 352 O LEU A 659 3.619 -5.941 -1.922 1.00 40.31 O ATOM 353 CB LEU A 659 2.364 -3.721 0.272 1.00 13.31 C ATOM 354 CG LEU A 659 2.340 -3.453 1.777 1.00 34.34 C ATOM 355 CD1 LEU A 659 0.921 -3.172 2.247 1.00 20.44 C ATOM 356 CD2 LEU A 659 2.933 -4.630 2.539 1.00 43.50 C ATOM 0 H LEU A 659 4.276 -2.183 0.073 1.00 31.32 H new ATOM 0 HA LEU A 659 4.132 -4.944 0.322 1.00 14.12 H new ATOM 0 HB2 LEU A 659 2.049 -2.814 -0.243 1.00 13.31 H new ATOM 0 HB3 LEU A 659 1.623 -4.488 0.048 1.00 13.31 H new ATOM 0 HG LEU A 659 2.949 -2.572 1.979 1.00 34.34 H new ATOM 0 HD11 LEU A 659 0.924 -2.984 3.321 1.00 20.44 H new ATOM 0 HD12 LEU A 659 0.532 -2.297 1.726 1.00 20.44 H new ATOM 0 HD13 LEU A 659 0.289 -4.034 2.032 1.00 20.44 H new ATOM 0 HD21 LEU A 659 2.907 -4.421 3.608 1.00 43.50 H new ATOM 0 HD22 LEU A 659 2.352 -5.528 2.331 1.00 43.50 H new ATOM 0 HD23 LEU A 659 3.965 -4.785 2.224 1.00 43.50 H new ATOM 368 N GLY A 660 3.207 -3.858 -2.663 1.00 2.33 N ATOM 369 CA GLY A 660 2.995 -4.292 -4.031 1.00 62.45 C ATOM 370 C GLY A 660 4.222 -4.954 -4.625 1.00 51.02 C ATOM 371 O GLY A 660 4.143 -6.058 -5.163 1.00 4.02 O ATOM 0 H GLY A 660 3.109 -2.854 -2.512 1.00 2.33 H new ATOM 0 HA2 GLY A 660 2.158 -4.990 -4.062 1.00 62.45 H new ATOM 0 HA3 GLY A 660 2.717 -3.434 -4.642 1.00 62.45 H new ATOM 375 N GLY A 661 5.363 -4.277 -4.530 1.00 2.24 N ATOM 376 CA GLY A 661 6.596 -4.821 -5.068 1.00 44.41 C ATOM 377 C GLY A 661 7.040 -6.078 -4.345 1.00 25.44 C ATOM 378 O GLY A 661 7.623 -6.978 -4.949 1.00 65.41 O ATOM 0 H GLY A 661 5.455 -3.361 -4.090 1.00 2.24 H new ATOM 0 HA2 GLY A 661 6.460 -5.043 -6.126 1.00 44.41 H new ATOM 0 HA3 GLY A 661 7.382 -4.069 -4.999 1.00 44.41 H new ATOM 382 N THR A 662 6.765 -6.140 -3.046 1.00 23.52 N ATOM 383 CA THR A 662 7.142 -7.293 -2.240 1.00 35.23 C ATOM 384 C THR A 662 6.250 -8.491 -2.543 1.00 74.34 C ATOM 385 O THR A 662 6.738 -9.576 -2.860 1.00 52.10 O ATOM 386 CB THR A 662 7.063 -6.976 -0.734 1.00 2.34 C ATOM 387 OG1 THR A 662 8.029 -5.977 -0.392 1.00 33.13 O ATOM 388 CG2 THR A 662 7.303 -8.228 0.096 1.00 20.41 C ATOM 0 H THR A 662 6.282 -5.404 -2.530 1.00 23.52 H new ATOM 0 HA THR A 662 8.172 -7.536 -2.499 1.00 35.23 H new ATOM 0 HB THR A 662 6.063 -6.602 -0.516 1.00 2.34 H new ATOM 0 HG1 THR A 662 7.689 -5.093 -0.645 1.00 33.13 H new ATOM 0 HG21 THR A 662 7.242 -7.979 1.156 1.00 20.41 H new ATOM 0 HG22 THR A 662 6.547 -8.975 -0.145 1.00 20.41 H new ATOM 0 HG23 THR A 662 8.292 -8.628 -0.127 1.00 20.41 H new ATOM 396 N PHE A 663 4.940 -8.289 -2.444 1.00 21.53 N ATOM 397 CA PHE A 663 3.980 -9.353 -2.708 1.00 52.33 C ATOM 398 C PHE A 663 4.214 -9.968 -4.084 1.00 42.12 C ATOM 399 O PHE A 663 4.393 -11.180 -4.214 1.00 14.50 O ATOM 400 CB PHE A 663 2.551 -8.815 -2.614 1.00 42.51 C ATOM 401 CG PHE A 663 1.565 -9.819 -2.089 1.00 54.42 C ATOM 402 CD1 PHE A 663 1.447 -11.067 -2.678 1.00 44.43 C ATOM 403 CD2 PHE A 663 0.757 -9.516 -1.005 1.00 12.14 C ATOM 404 CE1 PHE A 663 0.540 -11.993 -2.197 1.00 52.13 C ATOM 405 CE2 PHE A 663 -0.151 -10.437 -0.519 1.00 33.24 C ATOM 406 CZ PHE A 663 -0.259 -11.678 -1.115 1.00 61.41 C ATOM 0 H PHE A 663 4.519 -7.397 -2.183 1.00 21.53 H new ATOM 0 HA PHE A 663 4.119 -10.128 -1.955 1.00 52.33 H new ATOM 0 HB2 PHE A 663 2.544 -7.938 -1.967 1.00 42.51 H new ATOM 0 HB3 PHE A 663 2.230 -8.485 -3.602 1.00 42.51 H new ATOM 0 HD1 PHE A 663 2.071 -11.320 -3.523 1.00 44.43 H new ATOM 0 HD2 PHE A 663 0.838 -8.548 -0.534 1.00 12.14 H new ATOM 0 HE1 PHE A 663 0.456 -12.962 -2.667 1.00 52.13 H new ATOM 0 HE2 PHE A 663 -0.775 -10.187 0.326 1.00 33.24 H new ATOM 0 HZ PHE A 663 -0.967 -12.401 -0.736 1.00 61.41 H new ATOM 416 N LEU A 664 4.211 -9.125 -5.111 1.00 15.14 N ATOM 417 CA LEU A 664 4.423 -9.583 -6.479 1.00 43.42 C ATOM 418 C LEU A 664 5.756 -10.313 -6.610 1.00 15.24 C ATOM 419 O LEU A 664 5.816 -11.430 -7.122 1.00 73.12 O ATOM 420 CB LEU A 664 4.380 -8.400 -7.448 1.00 11.44 C ATOM 421 CG LEU A 664 3.032 -7.688 -7.577 1.00 75.31 C ATOM 422 CD1 LEU A 664 3.023 -6.781 -8.797 1.00 23.12 C ATOM 423 CD2 LEU A 664 1.899 -8.700 -7.654 1.00 30.21 C ATOM 0 H LEU A 664 4.064 -8.120 -5.022 1.00 15.14 H new ATOM 0 HA LEU A 664 3.622 -10.279 -6.729 1.00 43.42 H new ATOM 0 HB2 LEU A 664 5.125 -7.670 -7.132 1.00 11.44 H new ATOM 0 HB3 LEU A 664 4.678 -8.753 -8.435 1.00 11.44 H new ATOM 0 HG LEU A 664 2.882 -7.072 -6.690 1.00 75.31 H new ATOM 0 HD11 LEU A 664 2.056 -6.283 -8.873 1.00 23.12 H new ATOM 0 HD12 LEU A 664 3.810 -6.033 -8.700 1.00 23.12 H new ATOM 0 HD13 LEU A 664 3.196 -7.376 -9.694 1.00 23.12 H new ATOM 0 HD21 LEU A 664 0.948 -8.175 -7.745 1.00 30.21 H new ATOM 0 HD22 LEU A 664 2.044 -9.343 -8.522 1.00 30.21 H new ATOM 0 HD23 LEU A 664 1.892 -9.308 -6.749 1.00 30.21 H new ATOM 435 N TYR A 665 6.822 -9.674 -6.139 1.00 65.40 N ATOM 436 CA TYR A 665 8.155 -10.261 -6.203 1.00 44.22 C ATOM 437 C TYR A 665 8.184 -11.622 -5.514 1.00 31.31 C ATOM 438 O TYR A 665 8.726 -12.590 -6.049 1.00 13.05 O ATOM 439 CB TYR A 665 9.178 -9.327 -5.556 1.00 33.12 C ATOM 440 CG TYR A 665 10.496 -9.997 -5.241 1.00 43.15 C ATOM 441 CD1 TYR A 665 10.706 -10.622 -4.018 1.00 71.22 C ATOM 442 CD2 TYR A 665 11.532 -10.006 -6.167 1.00 21.10 C ATOM 443 CE1 TYR A 665 11.909 -11.235 -3.726 1.00 13.21 C ATOM 444 CE2 TYR A 665 12.738 -10.618 -5.884 1.00 23.51 C ATOM 445 CZ TYR A 665 12.922 -11.231 -4.662 1.00 65.31 C ATOM 446 OH TYR A 665 14.122 -11.841 -4.376 1.00 21.23 O ATOM 0 H TYR A 665 6.788 -8.750 -5.709 1.00 65.40 H new ATOM 0 HA TYR A 665 8.413 -10.400 -7.253 1.00 44.22 H new ATOM 0 HB2 TYR A 665 9.359 -8.483 -6.222 1.00 33.12 H new ATOM 0 HB3 TYR A 665 8.757 -8.922 -4.636 1.00 33.12 H new ATOM 0 HD1 TYR A 665 9.915 -10.629 -3.283 1.00 71.22 H new ATOM 0 HD2 TYR A 665 11.392 -9.526 -7.124 1.00 21.10 H new ATOM 0 HE1 TYR A 665 12.056 -11.715 -2.770 1.00 13.21 H new ATOM 0 HE2 TYR A 665 13.532 -10.616 -6.616 1.00 23.51 H new ATOM 0 HH TYR A 665 14.727 -11.749 -5.142 1.00 21.23 H new ATOM 456 N TRP A 666 7.597 -11.687 -4.325 1.00 53.42 N ATOM 457 CA TRP A 666 7.555 -12.929 -3.561 1.00 43.43 C ATOM 458 C TRP A 666 6.818 -14.018 -4.333 1.00 50.42 C ATOM 459 O TRP A 666 7.328 -15.126 -4.501 1.00 41.12 O ATOM 460 CB TRP A 666 6.876 -12.698 -2.209 1.00 25.41 C ATOM 461 CG TRP A 666 7.473 -13.508 -1.099 1.00 60.35 C ATOM 462 CD1 TRP A 666 8.573 -13.192 -0.353 1.00 51.52 C ATOM 463 CD2 TRP A 666 7.004 -14.770 -0.611 1.00 13.42 C ATOM 464 NE1 TRP A 666 8.815 -14.182 0.569 1.00 73.44 N ATOM 465 CE2 TRP A 666 7.866 -15.160 0.433 1.00 61.10 C ATOM 466 CE3 TRP A 666 5.938 -15.607 -0.951 1.00 64.41 C ATOM 467 CZ2 TRP A 666 7.695 -16.351 1.134 1.00 4.25 C ATOM 468 CZ3 TRP A 666 5.769 -16.788 -0.254 1.00 23.22 C ATOM 469 CH2 TRP A 666 6.643 -17.151 0.779 1.00 34.12 C ATOM 0 H TRP A 666 7.144 -10.895 -3.869 1.00 53.42 H new ATOM 0 HA TRP A 666 8.581 -13.258 -3.394 1.00 43.43 H new ATOM 0 HB2 TRP A 666 6.942 -11.640 -1.953 1.00 25.41 H new ATOM 0 HB3 TRP A 666 5.817 -12.940 -2.296 1.00 25.41 H new ATOM 0 HD1 TRP A 666 9.165 -12.296 -0.470 1.00 51.52 H new ATOM 0 HE1 TRP A 666 9.578 -14.187 1.246 1.00 73.44 H new ATOM 0 HE3 TRP A 666 5.258 -15.336 -1.745 1.00 64.41 H new ATOM 0 HZ2 TRP A 666 8.369 -16.633 1.930 1.00 4.25 H new ATOM 0 HZ3 TRP A 666 4.949 -17.443 -0.510 1.00 23.22 H new ATOM 0 HH2 TRP A 666 6.483 -18.080 1.305 1.00 34.12 H new ATOM 480 N ARG A 667 5.616 -13.696 -4.801 1.00 40.35 N ATOM 481 CA ARG A 667 4.810 -14.649 -5.554 1.00 24.13 C ATOM 482 C ARG A 667 5.598 -15.218 -6.730 1.00 40.11 C ATOM 483 O ARG A 667 5.413 -16.372 -7.115 1.00 3.11 O ATOM 484 CB ARG A 667 3.531 -13.979 -6.061 1.00 23.12 C ATOM 485 CG ARG A 667 2.364 -14.083 -5.093 1.00 61.21 C ATOM 486 CD ARG A 667 1.215 -13.178 -5.507 1.00 13.24 C ATOM 487 NE ARG A 667 0.410 -13.767 -6.574 1.00 71.04 N ATOM 488 CZ ARG A 667 -0.548 -14.662 -6.363 1.00 52.45 C ATOM 489 NH1 ARG A 667 -0.821 -15.069 -5.130 1.00 24.34 N ATOM 490 NH2 ARG A 667 -1.237 -15.154 -7.385 1.00 25.31 N ATOM 0 H ARG A 667 5.180 -12.783 -4.672 1.00 40.35 H new ATOM 0 HA ARG A 667 4.544 -15.468 -4.886 1.00 24.13 H new ATOM 0 HB2 ARG A 667 3.736 -12.927 -6.258 1.00 23.12 H new ATOM 0 HB3 ARG A 667 3.246 -14.432 -7.011 1.00 23.12 H new ATOM 0 HG2 ARG A 667 2.018 -15.116 -5.049 1.00 61.21 H new ATOM 0 HG3 ARG A 667 2.697 -13.815 -4.090 1.00 61.21 H new ATOM 0 HD2 ARG A 667 0.581 -12.979 -4.643 1.00 13.24 H new ATOM 0 HD3 ARG A 667 1.611 -12.219 -5.840 1.00 13.24 H new ATOM 0 HE ARG A 667 0.594 -13.475 -7.534 1.00 71.04 H new ATOM 0 HH11 ARG A 667 -0.294 -14.694 -4.341 1.00 24.34 H new ATOM 0 HH12 ARG A 667 -1.557 -15.757 -4.971 1.00 24.34 H new ATOM 0 HH21 ARG A 667 -1.031 -14.845 -8.335 1.00 25.31 H new ATOM 0 HH22 ARG A 667 -1.972 -15.841 -7.221 1.00 25.31 H new ATOM 504 N GLY A 668 6.480 -14.400 -7.297 1.00 4.14 N ATOM 505 CA GLY A 668 7.283 -14.839 -8.423 1.00 45.12 C ATOM 506 C GLY A 668 8.466 -15.683 -7.997 1.00 72.45 C ATOM 507 O GLY A 668 8.611 -16.827 -8.431 1.00 11.03 O ATOM 0 H GLY A 668 6.653 -13.441 -6.996 1.00 4.14 H new ATOM 0 HA2 GLY A 668 6.659 -15.413 -9.108 1.00 45.12 H new ATOM 0 HA3 GLY A 668 7.641 -13.968 -8.972 1.00 45.12 H new ATOM 511 N ARG A 669 9.317 -15.119 -7.146 1.00 14.00 N ATOM 512 CA ARG A 669 10.497 -15.827 -6.662 1.00 40.01 C ATOM 513 C ARG A 669 10.121 -17.201 -6.115 1.00 13.04 C ATOM 514 O ARG A 669 10.908 -18.144 -6.183 1.00 61.54 O ATOM 515 CB ARG A 669 11.200 -15.008 -5.578 1.00 53.24 C ATOM 516 CG ARG A 669 10.560 -15.137 -4.206 1.00 13.21 C ATOM 517 CD ARG A 669 11.332 -14.355 -3.155 1.00 10.41 C ATOM 518 NE ARG A 669 11.892 -15.226 -2.126 1.00 41.43 N ATOM 519 CZ ARG A 669 12.247 -14.804 -0.917 1.00 65.50 C ATOM 520 NH1 ARG A 669 12.099 -13.527 -0.589 1.00 43.12 N ATOM 521 NH2 ARG A 669 12.750 -15.657 -0.036 1.00 70.03 N ATOM 0 H ARG A 669 9.212 -14.174 -6.777 1.00 14.00 H new ATOM 0 HA ARG A 669 11.178 -15.964 -7.502 1.00 40.01 H new ATOM 0 HB2 ARG A 669 12.242 -15.323 -5.515 1.00 53.24 H new ATOM 0 HB3 ARG A 669 11.202 -13.958 -5.871 1.00 53.24 H new ATOM 0 HG2 ARG A 669 9.532 -14.776 -4.247 1.00 13.21 H new ATOM 0 HG3 ARG A 669 10.518 -16.188 -3.921 1.00 13.21 H new ATOM 0 HD2 ARG A 669 12.136 -13.798 -3.636 1.00 10.41 H new ATOM 0 HD3 ARG A 669 10.672 -13.623 -2.690 1.00 10.41 H new ATOM 0 HE ARG A 669 12.018 -16.214 -2.347 1.00 41.43 H new ATOM 0 HH11 ARG A 669 11.712 -12.868 -1.265 1.00 43.12 H new ATOM 0 HH12 ARG A 669 12.372 -13.204 0.339 1.00 43.12 H new ATOM 0 HH21 ARG A 669 12.865 -16.639 -0.286 1.00 70.03 H new ATOM 0 HH22 ARG A 669 13.022 -15.331 0.892 1.00 70.03 H new ATOM 535 N ARG A 670 8.912 -17.304 -5.571 1.00 73.23 N ATOM 536 CA ARG A 670 8.432 -18.561 -5.010 1.00 72.12 C ATOM 537 C ARG A 670 8.407 -19.657 -6.072 1.00 21.42 C ATOM 538 O ARG A 670 9.154 -20.632 -5.991 1.00 12.42 O ATOM 539 CB ARG A 670 7.034 -18.379 -4.416 1.00 21.32 C ATOM 540 CG ARG A 670 7.041 -17.816 -3.004 1.00 3.44 C ATOM 541 CD ARG A 670 7.508 -18.852 -1.994 1.00 50.41 C ATOM 542 NE ARG A 670 6.406 -19.677 -1.505 1.00 65.52 N ATOM 543 CZ ARG A 670 6.578 -20.792 -0.804 1.00 21.13 C ATOM 544 NH1 ARG A 670 7.800 -21.212 -0.509 1.00 35.31 N ATOM 545 NH2 ARG A 670 5.526 -21.488 -0.395 1.00 2.43 N ATOM 0 H ARG A 670 8.248 -16.532 -5.507 1.00 73.23 H new ATOM 0 HA ARG A 670 9.119 -18.862 -4.219 1.00 72.12 H new ATOM 0 HB2 ARG A 670 6.458 -17.714 -5.060 1.00 21.32 H new ATOM 0 HB3 ARG A 670 6.522 -19.341 -4.412 1.00 21.32 H new ATOM 0 HG2 ARG A 670 7.694 -16.945 -2.962 1.00 3.44 H new ATOM 0 HG3 ARG A 670 6.039 -17.476 -2.742 1.00 3.44 H new ATOM 0 HD2 ARG A 670 8.263 -19.491 -2.453 1.00 50.41 H new ATOM 0 HD3 ARG A 670 7.985 -18.349 -1.153 1.00 50.41 H new ATOM 0 HE ARG A 670 5.452 -19.381 -1.713 1.00 65.52 H new ATOM 0 HH11 ARG A 670 8.612 -20.679 -0.820 1.00 35.31 H new ATOM 0 HH12 ARG A 670 7.929 -22.069 0.030 1.00 35.31 H new ATOM 0 HH21 ARG A 670 4.584 -21.167 -0.619 1.00 2.43 H new ATOM 0 HH22 ARG A 670 5.659 -22.344 0.143 1.00 2.43 H new ATOM 559 N HIS A 671 7.542 -19.489 -7.067 1.00 30.24 N ATOM 560 CA HIS A 671 7.418 -20.462 -8.146 1.00 73.21 C ATOM 561 C HIS A 671 8.774 -20.726 -8.797 1.00 42.40 C ATOM 562 O HIS A 671 9.146 -21.875 -9.035 1.00 14.22 O ATOM 563 CB HIS A 671 6.422 -19.969 -9.195 1.00 61.24 C ATOM 564 CG HIS A 671 6.147 -20.969 -10.277 1.00 35.43 C ATOM 565 ND1 HIS A 671 6.573 -20.806 -11.578 1.00 2.13 N ATOM 566 CD2 HIS A 671 5.487 -22.151 -10.243 1.00 31.52 C ATOM 567 CE1 HIS A 671 6.184 -21.842 -12.299 1.00 60.04 C ATOM 568 NE2 HIS A 671 5.524 -22.674 -11.512 1.00 30.50 N ATOM 0 H HIS A 671 6.916 -18.688 -7.148 1.00 30.24 H new ATOM 0 HA HIS A 671 7.051 -21.396 -7.720 1.00 73.21 H new ATOM 0 HB2 HIS A 671 5.484 -19.713 -8.702 1.00 61.24 H new ATOM 0 HB3 HIS A 671 6.805 -19.054 -9.646 1.00 61.24 H new ATOM 0 HD2 HIS A 671 5.019 -22.599 -9.379 1.00 31.52 H new ATOM 0 HE1 HIS A 671 6.373 -21.985 -13.353 1.00 60.04 H new ATOM 0 HE2 HIS A 671 5.110 -23.560 -11.800 1.00 30.50 H new ATOM 576 N HIS A 672 9.505 -19.654 -9.084 1.00 54.42 N ATOM 577 CA HIS A 672 10.819 -19.770 -9.708 1.00 1.42 C ATOM 578 C HIS A 672 11.781 -20.539 -8.808 1.00 71.35 C ATOM 579 O HIS A 672 11.758 -20.392 -7.586 1.00 2.22 O ATOM 580 CB HIS A 672 11.385 -18.383 -10.013 1.00 71.40 C ATOM 581 CG HIS A 672 11.098 -17.912 -11.406 1.00 0.41 C ATOM 582 ND1 HIS A 672 9.983 -17.170 -11.734 1.00 64.52 N ATOM 583 CD2 HIS A 672 11.789 -18.081 -12.557 1.00 21.52 C ATOM 584 CE1 HIS A 672 10.000 -16.904 -13.028 1.00 61.01 C ATOM 585 NE2 HIS A 672 11.086 -17.445 -13.551 1.00 62.22 N ATOM 0 H HIS A 672 9.211 -18.696 -8.895 1.00 54.42 H new ATOM 0 HA HIS A 672 10.704 -20.321 -10.642 1.00 1.42 H new ATOM 0 HB2 HIS A 672 10.971 -17.667 -9.303 1.00 71.40 H new ATOM 0 HB3 HIS A 672 12.464 -18.398 -9.858 1.00 71.40 H new ATOM 0 HD2 HIS A 672 12.720 -18.616 -12.673 1.00 21.52 H new ATOM 0 HE1 HIS A 672 9.253 -16.340 -13.567 1.00 61.01 H new ATOM 0 HE2 HIS A 672 11.358 -17.398 -14.533 1.00 62.22 H new ATOM 593 N HIS A 673 12.628 -21.361 -9.421 1.00 23.02 N ATOM 594 CA HIS A 673 13.599 -22.154 -8.676 1.00 35.14 C ATOM 595 C HIS A 673 14.988 -21.527 -8.757 1.00 54.45 C ATOM 596 O HIS A 673 15.685 -21.664 -9.763 1.00 40.33 O ATOM 597 CB HIS A 673 13.640 -23.585 -9.212 1.00 71.41 C ATOM 598 CG HIS A 673 12.434 -24.395 -8.849 1.00 60.22 C ATOM 599 ND1 HIS A 673 12.241 -24.938 -7.595 1.00 63.13 N ATOM 600 CD2 HIS A 673 11.353 -24.752 -9.582 1.00 34.22 C ATOM 601 CE1 HIS A 673 11.096 -25.595 -7.574 1.00 71.43 C ATOM 602 NE2 HIS A 673 10.537 -25.497 -8.767 1.00 51.14 N ATOM 0 H HIS A 673 12.661 -21.495 -10.432 1.00 23.02 H new ATOM 0 HA HIS A 673 13.289 -22.175 -7.631 1.00 35.14 H new ATOM 0 HB2 HIS A 673 13.734 -23.555 -10.298 1.00 71.41 H new ATOM 0 HB3 HIS A 673 14.531 -24.083 -8.828 1.00 71.41 H new ATOM 0 HD2 HIS A 673 11.167 -24.498 -10.615 1.00 34.22 H new ATOM 0 HE1 HIS A 673 10.686 -26.123 -6.726 1.00 71.43 H new ATOM 0 HE2 HIS A 673 9.644 -25.908 -9.039 1.00 51.14 H new ATOM 610 N HIS A 674 15.385 -20.839 -7.691 1.00 4.34 N ATOM 611 CA HIS A 674 16.690 -20.191 -7.642 1.00 22.43 C ATOM 612 C HIS A 674 17.791 -21.208 -7.356 1.00 40.34 C ATOM 613 O HIS A 674 18.871 -21.151 -7.945 1.00 34.11 O ATOM 614 CB HIS A 674 16.701 -19.098 -6.573 1.00 22.22 C ATOM 615 CG HIS A 674 15.904 -17.886 -6.948 1.00 2.44 C ATOM 616 ND1 HIS A 674 14.774 -17.943 -7.738 1.00 51.12 N ATOM 617 CD2 HIS A 674 16.077 -16.580 -6.636 1.00 0.51 C ATOM 618 CE1 HIS A 674 14.289 -16.725 -7.896 1.00 13.14 C ATOM 619 NE2 HIS A 674 15.060 -15.880 -7.237 1.00 71.11 N ATOM 0 H HIS A 674 14.821 -20.716 -6.850 1.00 4.34 H new ATOM 0 HA HIS A 674 16.880 -19.739 -8.615 1.00 22.43 H new ATOM 0 HB2 HIS A 674 16.308 -19.507 -5.642 1.00 22.22 H new ATOM 0 HB3 HIS A 674 17.732 -18.800 -6.380 1.00 22.22 H new ATOM 0 HD2 HIS A 674 16.868 -16.166 -6.028 1.00 0.51 H new ATOM 0 HE1 HIS A 674 13.410 -16.464 -8.467 1.00 13.14 H new ATOM 0 HE2 HIS A 674 14.923 -14.871 -7.183 1.00 71.11 H new ATOM 627 N HIS A 675 17.509 -22.138 -6.448 1.00 62.24 N ATOM 628 CA HIS A 675 18.475 -23.168 -6.085 1.00 73.33 C ATOM 629 C HIS A 675 18.931 -23.946 -7.316 1.00 24.10 C ATOM 630 O HIS A 675 20.119 -23.978 -7.639 1.00 41.44 O ATOM 631 CB HIS A 675 17.871 -24.126 -5.058 1.00 13.45 C ATOM 632 CG HIS A 675 18.605 -24.149 -3.754 1.00 32.34 C ATOM 633 ND1 HIS A 675 19.054 -23.008 -3.123 1.00 35.43 N ATOM 634 CD2 HIS A 675 18.969 -25.183 -2.959 1.00 2.23 C ATOM 635 CE1 HIS A 675 19.663 -23.339 -1.998 1.00 30.20 C ATOM 636 NE2 HIS A 675 19.624 -24.653 -1.875 1.00 64.04 N ATOM 0 H HIS A 675 16.620 -22.199 -5.951 1.00 62.24 H new ATOM 0 HA HIS A 675 19.343 -22.676 -5.646 1.00 73.33 H new ATOM 0 HB2 HIS A 675 16.834 -23.844 -4.876 1.00 13.45 H new ATOM 0 HB3 HIS A 675 17.859 -25.133 -5.476 1.00 13.45 H new ATOM 0 HD2 HIS A 675 18.779 -26.230 -3.143 1.00 2.23 H new ATOM 0 HE1 HIS A 675 20.116 -22.652 -1.298 1.00 30.20 H new ATOM 0 HE2 HIS A 675 20.017 -25.188 -1.100 1.00 64.04 H new ATOM 644 N HIS A 676 17.978 -24.573 -8.000 1.00 33.33 N ATOM 645 CA HIS A 676 18.281 -25.350 -9.196 1.00 71.33 C ATOM 646 C HIS A 676 18.519 -24.435 -10.393 1.00 72.23 C ATOM 647 O HIS A 676 17.672 -23.593 -10.685 1.00 73.01 O ATOM 648 CB HIS A 676 17.140 -26.322 -9.501 1.00 75.54 C ATOM 649 CG HIS A 676 17.606 -27.705 -9.835 1.00 44.53 C ATOM 650 ND1 HIS A 676 16.796 -28.817 -9.734 1.00 14.13 N ATOM 651 CD2 HIS A 676 18.804 -28.155 -10.274 1.00 60.20 C ATOM 652 CE1 HIS A 676 17.477 -29.890 -10.094 1.00 51.52 C ATOM 653 NE2 HIS A 676 18.699 -29.515 -10.427 1.00 12.23 N ATOM 0 H HIS A 676 16.990 -24.558 -7.746 1.00 33.33 H new ATOM 0 HA HIS A 676 19.192 -25.918 -9.009 1.00 71.33 H new ATOM 0 HB2 HIS A 676 16.474 -26.370 -8.639 1.00 75.54 H new ATOM 0 HB3 HIS A 676 16.555 -25.933 -10.335 1.00 75.54 H new ATOM 0 HD2 HIS A 676 19.681 -27.555 -10.468 1.00 60.20 H new ATOM 0 HE1 HIS A 676 17.099 -30.902 -10.113 1.00 51.52 H new ATOM 0 HE2 HIS A 676 19.443 -30.135 -10.746 1.00 12.23 H new TER 661 HIS A 676 ATOM 662 N MET B 637 -10.105 32.485 7.536 1.00 34.54 N ATOM 663 CA MET B 637 -10.594 31.930 6.280 1.00 21.14 C ATOM 664 C MET B 637 -9.434 31.515 5.381 1.00 24.12 C ATOM 665 O MET B 637 -8.836 32.347 4.699 1.00 34.11 O ATOM 666 CB MET B 637 -11.476 32.949 5.556 1.00 15.04 C ATOM 667 CG MET B 637 -12.678 33.399 6.371 1.00 15.11 C ATOM 668 SD MET B 637 -14.113 32.332 6.140 1.00 2.11 S ATOM 669 CE MET B 637 -15.017 32.648 7.654 1.00 51.05 C ATOM 0 HA MET B 637 -11.187 31.045 6.510 1.00 21.14 H new ATOM 0 HB2 MET B 637 -10.874 33.821 5.299 1.00 15.04 H new ATOM 0 HB3 MET B 637 -11.824 32.515 4.619 1.00 15.04 H new ATOM 0 HG2 MET B 637 -12.410 33.417 7.427 1.00 15.11 H new ATOM 0 HG3 MET B 637 -12.940 34.419 6.091 1.00 15.11 H new ATOM 0 HE1 MET B 637 -15.934 32.058 7.660 1.00 51.05 H new ATOM 0 HE2 MET B 637 -14.401 32.371 8.510 1.00 51.05 H new ATOM 0 HE3 MET B 637 -15.267 33.707 7.714 1.00 51.05 H new ATOM 679 N GLY B 638 -9.120 30.223 5.385 1.00 41.30 N ATOM 680 CA GLY B 638 -8.033 29.721 4.566 1.00 24.31 C ATOM 681 C GLY B 638 -8.004 28.207 4.504 1.00 55.41 C ATOM 682 O GLY B 638 -7.425 27.554 5.373 1.00 13.04 O ATOM 0 H GLY B 638 -9.599 29.515 5.941 1.00 41.30 H new ATOM 0 HA2 GLY B 638 -8.128 30.121 3.557 1.00 24.31 H new ATOM 0 HA3 GLY B 638 -7.085 30.083 4.964 1.00 24.31 H new ATOM 686 N ARG B 639 -8.632 27.646 3.476 1.00 23.40 N ATOM 687 CA ARG B 639 -8.678 26.199 3.306 1.00 41.24 C ATOM 688 C ARG B 639 -8.861 25.829 1.837 1.00 3.41 C ATOM 689 O ARG B 639 -9.986 25.764 1.337 1.00 30.22 O ATOM 690 CB ARG B 639 -9.815 25.603 4.140 1.00 64.22 C ATOM 691 CG ARG B 639 -9.528 25.580 5.632 1.00 45.23 C ATOM 692 CD ARG B 639 -10.087 26.812 6.326 1.00 51.15 C ATOM 693 NE ARG B 639 -11.293 26.509 7.091 1.00 54.23 N ATOM 694 CZ ARG B 639 -11.286 25.836 8.238 1.00 21.40 C ATOM 695 NH1 ARG B 639 -10.142 25.400 8.747 1.00 2.41 N ATOM 696 NH2 ARG B 639 -12.425 25.600 8.876 1.00 11.11 N ATOM 0 H ARG B 639 -9.116 28.172 2.748 1.00 23.40 H new ATOM 0 HA ARG B 639 -7.729 25.787 3.650 1.00 41.24 H new ATOM 0 HB2 ARG B 639 -10.724 26.177 3.962 1.00 64.22 H new ATOM 0 HB3 ARG B 639 -10.009 24.586 3.800 1.00 64.22 H new ATOM 0 HG2 ARG B 639 -9.963 24.683 6.074 1.00 45.23 H new ATOM 0 HG3 ARG B 639 -8.452 25.526 5.796 1.00 45.23 H new ATOM 0 HD2 ARG B 639 -9.330 27.228 6.992 1.00 51.15 H new ATOM 0 HD3 ARG B 639 -10.312 27.576 5.582 1.00 51.15 H new ATOM 0 HE ARG B 639 -12.189 26.831 6.726 1.00 54.23 H new ATOM 0 HH11 ARG B 639 -9.265 25.581 8.259 1.00 2.41 H new ATOM 0 HH12 ARG B 639 -10.139 24.884 9.627 1.00 2.41 H new ATOM 0 HH21 ARG B 639 -13.306 25.935 8.487 1.00 11.11 H new ATOM 0 HH22 ARG B 639 -12.419 25.084 9.756 1.00 11.11 H new ATOM 710 N THR B 640 -7.750 25.588 1.149 1.00 55.42 N ATOM 711 CA THR B 640 -7.788 25.225 -0.262 1.00 34.35 C ATOM 712 C THR B 640 -6.845 24.065 -0.558 1.00 34.01 C ATOM 713 O THR B 640 -7.271 23.012 -1.034 1.00 31.04 O ATOM 714 CB THR B 640 -7.409 26.420 -1.158 1.00 32.01 C ATOM 715 OG1 THR B 640 -6.180 27.001 -0.707 1.00 41.13 O ATOM 716 CG2 THR B 640 -8.506 27.474 -1.148 1.00 12.54 C ATOM 0 H THR B 640 -6.812 25.638 1.546 1.00 55.42 H new ATOM 0 HA THR B 640 -8.812 24.922 -0.483 1.00 34.35 H new ATOM 0 HB THR B 640 -7.286 26.055 -2.178 1.00 32.01 H new ATOM 0 HG1 THR B 640 -5.946 27.759 -1.283 1.00 41.13 H new ATOM 0 HG21 THR B 640 -8.216 28.308 -1.788 1.00 12.54 H new ATOM 0 HG22 THR B 640 -9.433 27.038 -1.519 1.00 12.54 H new ATOM 0 HG23 THR B 640 -8.656 27.833 -0.130 1.00 12.54 H new ATOM 724 N HIS B 641 -5.562 24.262 -0.271 1.00 2.33 N ATOM 725 CA HIS B 641 -4.559 23.229 -0.504 1.00 23.40 C ATOM 726 C HIS B 641 -4.907 21.952 0.253 1.00 4.21 C ATOM 727 O HIS B 641 -4.367 20.882 -0.031 1.00 74.33 O ATOM 728 CB HIS B 641 -3.177 23.726 -0.081 1.00 31.14 C ATOM 729 CG HIS B 641 -2.980 23.756 1.403 1.00 72.11 C ATOM 730 ND1 HIS B 641 -1.917 23.144 2.034 1.00 33.32 N ATOM 731 CD2 HIS B 641 -3.717 24.330 2.383 1.00 71.11 C ATOM 732 CE1 HIS B 641 -2.010 23.339 3.337 1.00 34.11 C ATOM 733 NE2 HIS B 641 -3.093 24.056 3.575 1.00 35.03 N ATOM 0 H HIS B 641 -5.193 25.127 0.123 1.00 2.33 H new ATOM 0 HA HIS B 641 -4.546 23.005 -1.571 1.00 23.40 H new ATOM 0 HB2 HIS B 641 -2.417 23.085 -0.527 1.00 31.14 H new ATOM 0 HB3 HIS B 641 -3.023 24.728 -0.480 1.00 31.14 H new ATOM 0 HD2 HIS B 641 -4.626 24.898 2.252 1.00 71.11 H new ATOM 0 HE1 HIS B 641 -1.318 22.974 4.081 1.00 34.11 H new ATOM 0 HE2 HIS B 641 -3.414 24.357 4.495 1.00 35.03 H new ATOM 741 N LEU B 642 -5.813 22.070 1.217 1.00 15.12 N ATOM 742 CA LEU B 642 -6.234 20.924 2.017 1.00 23.31 C ATOM 743 C LEU B 642 -7.031 19.935 1.173 1.00 2.43 C ATOM 744 O LEU B 642 -6.970 18.724 1.392 1.00 1.33 O ATOM 745 CB LEU B 642 -7.074 21.389 3.207 1.00 31.15 C ATOM 746 CG LEU B 642 -6.296 21.940 4.403 1.00 74.12 C ATOM 747 CD1 LEU B 642 -7.176 22.858 5.237 1.00 44.53 C ATOM 748 CD2 LEU B 642 -5.752 20.802 5.255 1.00 34.41 C ATOM 0 H LEU B 642 -6.271 22.947 1.464 1.00 15.12 H new ATOM 0 HA LEU B 642 -5.340 20.421 2.386 1.00 23.31 H new ATOM 0 HB2 LEU B 642 -7.763 22.160 2.861 1.00 31.15 H new ATOM 0 HB3 LEU B 642 -7.680 20.550 3.549 1.00 31.15 H new ATOM 0 HG LEU B 642 -5.454 22.521 4.027 1.00 74.12 H new ATOM 0 HD11 LEU B 642 -6.605 23.240 6.083 1.00 44.53 H new ATOM 0 HD12 LEU B 642 -7.517 23.692 4.623 1.00 44.53 H new ATOM 0 HD13 LEU B 642 -8.038 22.301 5.603 1.00 44.53 H new ATOM 0 HD21 LEU B 642 -5.201 21.212 6.101 1.00 34.41 H new ATOM 0 HD22 LEU B 642 -6.579 20.194 5.621 1.00 34.41 H new ATOM 0 HD23 LEU B 642 -5.085 20.184 4.654 1.00 34.41 H new ATOM 760 N THR B 643 -7.779 20.458 0.205 1.00 74.24 N ATOM 761 CA THR B 643 -8.586 19.621 -0.673 1.00 52.42 C ATOM 762 C THR B 643 -7.720 18.625 -1.435 1.00 23.02 C ATOM 763 O THR B 643 -7.946 17.418 -1.374 1.00 41.13 O ATOM 764 CB THR B 643 -9.383 20.470 -1.681 1.00 62.45 C ATOM 765 OG1 THR B 643 -9.897 21.641 -1.039 1.00 11.34 O ATOM 766 CG2 THR B 643 -10.528 19.668 -2.279 1.00 52.21 C ATOM 0 H THR B 643 -7.842 21.457 0.010 1.00 74.24 H new ATOM 0 HA THR B 643 -9.283 19.076 -0.037 1.00 52.42 H new ATOM 0 HB THR B 643 -8.709 20.765 -2.485 1.00 62.45 H new ATOM 0 HG1 THR B 643 -9.213 22.343 -1.043 1.00 11.34 H new ATOM 0 HG21 THR B 643 -11.076 20.289 -2.988 1.00 52.21 H new ATOM 0 HG22 THR B 643 -10.130 18.794 -2.795 1.00 52.21 H new ATOM 0 HG23 THR B 643 -11.200 19.345 -1.484 1.00 52.21 H new ATOM 774 N MET B 644 -6.726 19.140 -2.152 1.00 3.22 N ATOM 775 CA MET B 644 -5.824 18.295 -2.925 1.00 1.32 C ATOM 776 C MET B 644 -5.043 17.356 -2.011 1.00 61.32 C ATOM 777 O MET B 644 -4.980 16.150 -2.252 1.00 2.43 O ATOM 778 CB MET B 644 -4.856 19.156 -3.739 1.00 52.30 C ATOM 779 CG MET B 644 -5.489 19.786 -4.969 1.00 12.10 C ATOM 780 SD MET B 644 -4.307 20.041 -6.305 1.00 33.32 S ATOM 781 CE MET B 644 -3.665 21.660 -5.884 1.00 63.35 C ATOM 0 H MET B 644 -6.525 20.138 -2.213 1.00 3.22 H new ATOM 0 HA MET B 644 -6.425 17.693 -3.607 1.00 1.32 H new ATOM 0 HB2 MET B 644 -4.460 19.945 -3.100 1.00 52.30 H new ATOM 0 HB3 MET B 644 -4.010 18.542 -4.050 1.00 52.30 H new ATOM 0 HG2 MET B 644 -6.299 19.148 -5.323 1.00 12.10 H new ATOM 0 HG3 MET B 644 -5.933 20.743 -4.695 1.00 12.10 H new ATOM 0 HE1 MET B 644 -2.919 21.958 -6.621 1.00 63.35 H new ATOM 0 HE2 MET B 644 -4.480 22.384 -5.878 1.00 63.35 H new ATOM 0 HE3 MET B 644 -3.205 21.624 -4.896 1.00 63.35 H new ATOM 791 N ALA B 645 -4.449 17.915 -0.963 1.00 21.43 N ATOM 792 CA ALA B 645 -3.673 17.128 -0.013 1.00 72.14 C ATOM 793 C ALA B 645 -4.522 16.022 0.605 1.00 40.12 C ATOM 794 O ALA B 645 -4.062 14.892 0.774 1.00 74.42 O ATOM 795 CB ALA B 645 -3.099 18.025 1.073 1.00 5.12 C ATOM 0 H ALA B 645 -4.490 18.912 -0.750 1.00 21.43 H new ATOM 0 HA ALA B 645 -2.850 16.660 -0.553 1.00 72.14 H new ATOM 0 HB1 ALA B 645 -2.522 17.423 1.775 1.00 5.12 H new ATOM 0 HB2 ALA B 645 -2.451 18.775 0.620 1.00 5.12 H new ATOM 0 HB3 ALA B 645 -3.912 18.521 1.603 1.00 5.12 H new ATOM 801 N LEU B 646 -5.763 16.355 0.942 1.00 52.43 N ATOM 802 CA LEU B 646 -6.678 15.389 1.543 1.00 32.22 C ATOM 803 C LEU B 646 -6.931 14.219 0.599 1.00 4.54 C ATOM 804 O LEU B 646 -6.931 13.060 1.016 1.00 4.11 O ATOM 805 CB LEU B 646 -8.002 16.066 1.902 1.00 23.13 C ATOM 806 CG LEU B 646 -8.044 16.789 3.249 1.00 61.23 C ATOM 807 CD1 LEU B 646 -9.068 17.912 3.221 1.00 21.43 C ATOM 808 CD2 LEU B 646 -8.355 15.809 4.370 1.00 73.34 C ATOM 0 H LEU B 646 -6.159 17.286 0.810 1.00 52.43 H new ATOM 0 HA LEU B 646 -6.216 15.004 2.452 1.00 32.22 H new ATOM 0 HB2 LEU B 646 -8.243 16.785 1.119 1.00 23.13 H new ATOM 0 HB3 LEU B 646 -8.787 15.310 1.894 1.00 23.13 H new ATOM 0 HG LEU B 646 -7.063 17.225 3.436 1.00 61.23 H new ATOM 0 HD11 LEU B 646 -9.083 18.415 4.188 1.00 21.43 H new ATOM 0 HD12 LEU B 646 -8.801 18.628 2.444 1.00 21.43 H new ATOM 0 HD13 LEU B 646 -10.055 17.499 3.011 1.00 21.43 H new ATOM 0 HD21 LEU B 646 -8.381 16.341 5.321 1.00 73.34 H new ATOM 0 HD22 LEU B 646 -9.324 15.343 4.188 1.00 73.34 H new ATOM 0 HD23 LEU B 646 -7.584 15.040 4.405 1.00 73.34 H new ATOM 820 N THR B 647 -7.145 14.529 -0.676 1.00 14.52 N ATOM 821 CA THR B 647 -7.398 13.503 -1.679 1.00 3.20 C ATOM 822 C THR B 647 -6.225 12.536 -1.786 1.00 60.34 C ATOM 823 O THR B 647 -6.412 11.321 -1.850 1.00 24.44 O ATOM 824 CB THR B 647 -7.665 14.124 -3.064 1.00 31.01 C ATOM 825 OG1 THR B 647 -8.770 15.031 -2.989 1.00 1.14 O ATOM 826 CG2 THR B 647 -7.957 13.045 -4.095 1.00 12.14 C ATOM 0 H THR B 647 -7.148 15.483 -1.038 1.00 14.52 H new ATOM 0 HA THR B 647 -8.285 12.958 -1.356 1.00 3.20 H new ATOM 0 HB THR B 647 -6.771 14.666 -3.373 1.00 31.01 H new ATOM 0 HG1 THR B 647 -8.514 15.816 -2.461 1.00 1.14 H new ATOM 0 HG21 THR B 647 -8.142 13.508 -5.064 1.00 12.14 H new ATOM 0 HG22 THR B 647 -7.102 12.374 -4.171 1.00 12.14 H new ATOM 0 HG23 THR B 647 -8.837 12.479 -3.790 1.00 12.14 H new ATOM 834 N VAL B 648 -5.014 13.083 -1.804 1.00 60.53 N ATOM 835 CA VAL B 648 -3.808 12.269 -1.902 1.00 2.40 C ATOM 836 C VAL B 648 -3.707 11.296 -0.732 1.00 40.04 C ATOM 837 O VAL B 648 -3.498 10.098 -0.924 1.00 63.34 O ATOM 838 CB VAL B 648 -2.541 13.143 -1.939 1.00 21.15 C ATOM 839 CG1 VAL B 648 -1.292 12.275 -1.919 1.00 3.23 C ATOM 840 CG2 VAL B 648 -2.554 14.045 -3.164 1.00 23.43 C ATOM 0 H VAL B 648 -4.842 14.087 -1.752 1.00 60.53 H new ATOM 0 HA VAL B 648 -3.879 11.708 -2.834 1.00 2.40 H new ATOM 0 HB VAL B 648 -2.529 13.774 -1.050 1.00 21.15 H new ATOM 0 HG11 VAL B 648 -0.407 12.910 -1.946 1.00 3.23 H new ATOM 0 HG12 VAL B 648 -1.281 11.675 -1.009 1.00 3.23 H new ATOM 0 HG13 VAL B 648 -1.292 11.617 -2.788 1.00 3.23 H new ATOM 0 HG21 VAL B 648 -1.652 14.656 -3.175 1.00 23.43 H new ATOM 0 HG22 VAL B 648 -2.589 13.434 -4.066 1.00 23.43 H new ATOM 0 HG23 VAL B 648 -3.430 14.692 -3.130 1.00 23.43 H new ATOM 850 N ILE B 649 -3.856 11.819 0.480 1.00 12.14 N ATOM 851 CA ILE B 649 -3.783 10.996 1.681 1.00 54.01 C ATOM 852 C ILE B 649 -4.836 9.893 1.656 1.00 74.33 C ATOM 853 O ILE B 649 -4.524 8.720 1.863 1.00 0.34 O ATOM 854 CB ILE B 649 -3.971 11.841 2.954 1.00 74.10 C ATOM 855 CG1 ILE B 649 -2.865 12.893 3.062 1.00 33.12 C ATOM 856 CG2 ILE B 649 -3.982 10.949 4.186 1.00 53.43 C ATOM 857 CD1 ILE B 649 -2.987 13.775 4.286 1.00 3.23 C ATOM 0 H ILE B 649 -4.028 12.809 0.657 1.00 12.14 H new ATOM 0 HA ILE B 649 -2.790 10.547 1.696 1.00 54.01 H new ATOM 0 HB ILE B 649 -4.931 12.354 2.893 1.00 74.10 H new ATOM 0 HG12 ILE B 649 -1.898 12.391 3.081 1.00 33.12 H new ATOM 0 HG13 ILE B 649 -2.882 13.519 2.170 1.00 33.12 H new ATOM 0 HG21 ILE B 649 -4.116 11.562 5.078 1.00 53.43 H new ATOM 0 HG22 ILE B 649 -4.802 10.234 4.110 1.00 53.43 H new ATOM 0 HG23 ILE B 649 -3.037 10.411 4.254 1.00 53.43 H new ATOM 0 HD11 ILE B 649 -2.170 14.497 4.297 1.00 3.23 H new ATOM 0 HD12 ILE B 649 -3.939 14.305 4.259 1.00 3.23 H new ATOM 0 HD13 ILE B 649 -2.940 13.159 5.184 1.00 3.23 H new ATOM 869 N ALA B 650 -6.081 10.277 1.400 1.00 13.03 N ATOM 870 CA ALA B 650 -7.180 9.320 1.345 1.00 73.24 C ATOM 871 C ALA B 650 -6.947 8.281 0.254 1.00 1.51 C ATOM 872 O ALA B 650 -7.176 7.089 0.459 1.00 70.22 O ATOM 873 CB ALA B 650 -8.499 10.043 1.117 1.00 64.14 C ATOM 0 H ALA B 650 -6.355 11.244 1.227 1.00 13.03 H new ATOM 0 HA ALA B 650 -7.226 8.800 2.302 1.00 73.24 H new ATOM 0 HB1 ALA B 650 -9.310 9.316 1.078 1.00 64.14 H new ATOM 0 HB2 ALA B 650 -8.677 10.742 1.934 1.00 64.14 H new ATOM 0 HB3 ALA B 650 -8.456 10.590 0.175 1.00 64.14 H new ATOM 879 N GLY B 651 -6.492 8.740 -0.908 1.00 12.33 N ATOM 880 CA GLY B 651 -6.238 7.838 -2.015 1.00 43.35 C ATOM 881 C GLY B 651 -5.300 6.707 -1.638 1.00 20.54 C ATOM 882 O GLY B 651 -5.605 5.536 -1.861 1.00 11.32 O ATOM 0 H GLY B 651 -6.295 9.722 -1.102 1.00 12.33 H new ATOM 0 HA2 GLY B 651 -7.183 7.421 -2.364 1.00 43.35 H new ATOM 0 HA3 GLY B 651 -5.810 8.399 -2.846 1.00 43.35 H new ATOM 886 N LEU B 652 -4.152 7.059 -1.066 1.00 5.35 N ATOM 887 CA LEU B 652 -3.165 6.067 -0.659 1.00 44.34 C ATOM 888 C LEU B 652 -3.756 5.097 0.360 1.00 35.43 C ATOM 889 O LEU B 652 -3.665 3.880 0.201 1.00 34.21 O ATOM 890 CB LEU B 652 -1.933 6.756 -0.070 1.00 23.11 C ATOM 891 CG LEU B 652 -1.184 7.705 -1.006 1.00 25.12 C ATOM 892 CD1 LEU B 652 -0.097 8.453 -0.249 1.00 42.25 C ATOM 893 CD2 LEU B 652 -0.589 6.939 -2.179 1.00 2.35 C ATOM 0 H LEU B 652 -3.883 8.024 -0.874 1.00 5.35 H new ATOM 0 HA LEU B 652 -2.869 5.501 -1.542 1.00 44.34 H new ATOM 0 HB2 LEU B 652 -2.242 7.317 0.812 1.00 23.11 H new ATOM 0 HB3 LEU B 652 -1.238 5.987 0.268 1.00 23.11 H new ATOM 0 HG LEU B 652 -1.894 8.434 -1.397 1.00 25.12 H new ATOM 0 HD11 LEU B 652 0.426 9.124 -0.931 1.00 42.25 H new ATOM 0 HD12 LEU B 652 -0.548 9.033 0.556 1.00 42.25 H new ATOM 0 HD13 LEU B 652 0.611 7.739 0.171 1.00 42.25 H new ATOM 0 HD21 LEU B 652 -0.060 7.631 -2.834 1.00 2.35 H new ATOM 0 HD22 LEU B 652 0.107 6.187 -1.807 1.00 2.35 H new ATOM 0 HD23 LEU B 652 -1.388 6.450 -2.737 1.00 2.35 H new ATOM 905 N VAL B 653 -4.363 5.647 1.408 1.00 2.53 N ATOM 906 CA VAL B 653 -4.972 4.831 2.452 1.00 12.24 C ATOM 907 C VAL B 653 -5.951 3.823 1.861 1.00 41.25 C ATOM 908 O VAL B 653 -5.864 2.625 2.134 1.00 23.12 O ATOM 909 CB VAL B 653 -5.712 5.702 3.485 1.00 24.43 C ATOM 910 CG1 VAL B 653 -6.552 4.837 4.411 1.00 53.15 C ATOM 911 CG2 VAL B 653 -4.723 6.544 4.277 1.00 33.20 C ATOM 0 H VAL B 653 -4.446 6.653 1.556 1.00 2.53 H new ATOM 0 HA VAL B 653 -4.162 4.298 2.950 1.00 12.24 H new ATOM 0 HB VAL B 653 -6.383 6.376 2.952 1.00 24.43 H new ATOM 0 HG11 VAL B 653 -7.067 5.471 5.133 1.00 53.15 H new ATOM 0 HG12 VAL B 653 -7.286 4.284 3.825 1.00 53.15 H new ATOM 0 HG13 VAL B 653 -5.906 4.136 4.939 1.00 53.15 H new ATOM 0 HG21 VAL B 653 -5.263 7.153 5.002 1.00 33.20 H new ATOM 0 HG22 VAL B 653 -4.025 5.890 4.800 1.00 33.20 H new ATOM 0 HG23 VAL B 653 -4.171 7.193 3.597 1.00 33.20 H new ATOM 921 N VAL B 654 -6.881 4.314 1.049 1.00 14.12 N ATOM 922 CA VAL B 654 -7.876 3.455 0.418 1.00 45.13 C ATOM 923 C VAL B 654 -7.211 2.327 -0.363 1.00 2.02 C ATOM 924 O VAL B 654 -7.714 1.203 -0.400 1.00 2.13 O ATOM 925 CB VAL B 654 -8.786 4.255 -0.532 1.00 23.31 C ATOM 926 CG1 VAL B 654 -9.790 3.335 -1.211 1.00 1.35 C ATOM 927 CG2 VAL B 654 -9.496 5.369 0.223 1.00 42.24 C ATOM 0 H VAL B 654 -6.966 5.302 0.812 1.00 14.12 H new ATOM 0 HA VAL B 654 -8.482 3.031 1.218 1.00 45.13 H new ATOM 0 HB VAL B 654 -8.166 4.709 -1.305 1.00 23.31 H new ATOM 0 HG11 VAL B 654 -10.424 3.918 -1.878 1.00 1.35 H new ATOM 0 HG12 VAL B 654 -9.258 2.577 -1.786 1.00 1.35 H new ATOM 0 HG13 VAL B 654 -10.408 2.850 -0.455 1.00 1.35 H new ATOM 0 HG21 VAL B 654 -10.135 5.924 -0.464 1.00 42.24 H new ATOM 0 HG22 VAL B 654 -10.105 4.939 1.018 1.00 42.24 H new ATOM 0 HG23 VAL B 654 -8.757 6.043 0.656 1.00 42.24 H new ATOM 937 N ILE B 655 -6.078 2.633 -0.986 1.00 1.22 N ATOM 938 CA ILE B 655 -5.343 1.645 -1.766 1.00 15.54 C ATOM 939 C ILE B 655 -4.764 0.557 -0.868 1.00 52.51 C ATOM 940 O ILE B 655 -4.980 -0.633 -1.098 1.00 54.34 O ATOM 941 CB ILE B 655 -4.201 2.295 -2.567 1.00 61.22 C ATOM 942 CG1 ILE B 655 -4.767 3.249 -3.620 1.00 22.45 C ATOM 943 CG2 ILE B 655 -3.338 1.227 -3.222 1.00 31.10 C ATOM 944 CD1 ILE B 655 -3.810 4.355 -4.010 1.00 62.40 C ATOM 0 H ILE B 655 -5.649 3.558 -0.966 1.00 1.22 H new ATOM 0 HA ILE B 655 -6.054 1.199 -2.461 1.00 15.54 H new ATOM 0 HB ILE B 655 -3.577 2.868 -1.882 1.00 61.22 H new ATOM 0 HG12 ILE B 655 -5.033 2.679 -4.510 1.00 22.45 H new ATOM 0 HG13 ILE B 655 -5.687 3.693 -3.240 1.00 22.45 H new ATOM 0 HG21 ILE B 655 -2.535 1.703 -3.785 1.00 31.10 H new ATOM 0 HG22 ILE B 655 -2.910 0.583 -2.454 1.00 31.10 H new ATOM 0 HG23 ILE B 655 -3.950 0.629 -3.898 1.00 31.10 H new ATOM 0 HD11 ILE B 655 -4.277 4.993 -4.760 1.00 62.40 H new ATOM 0 HD12 ILE B 655 -3.563 4.950 -3.130 1.00 62.40 H new ATOM 0 HD13 ILE B 655 -2.899 3.920 -4.421 1.00 62.40 H new ATOM 956 N PHE B 656 -4.029 0.974 0.158 1.00 71.45 N ATOM 957 CA PHE B 656 -3.418 0.036 1.093 1.00 42.43 C ATOM 958 C PHE B 656 -4.480 -0.837 1.759 1.00 64.43 C ATOM 959 O PHE B 656 -4.276 -2.033 1.960 1.00 43.42 O ATOM 960 CB PHE B 656 -2.620 0.789 2.158 1.00 3.15 C ATOM 961 CG PHE B 656 -2.209 -0.070 3.319 1.00 11.14 C ATOM 962 CD1 PHE B 656 -1.773 -1.369 3.116 1.00 33.34 C ATOM 963 CD2 PHE B 656 -2.259 0.422 4.614 1.00 1.02 C ATOM 964 CE1 PHE B 656 -1.395 -2.162 4.183 1.00 34.23 C ATOM 965 CE2 PHE B 656 -1.882 -0.367 5.685 1.00 31.25 C ATOM 966 CZ PHE B 656 -1.449 -1.659 5.469 1.00 20.10 C ATOM 0 H PHE B 656 -3.842 1.956 0.363 1.00 71.45 H new ATOM 0 HA PHE B 656 -2.741 -0.608 0.532 1.00 42.43 H new ATOM 0 HB2 PHE B 656 -1.728 1.215 1.698 1.00 3.15 H new ATOM 0 HB3 PHE B 656 -3.218 1.622 2.527 1.00 3.15 H new ATOM 0 HD1 PHE B 656 -1.728 -1.767 2.113 1.00 33.34 H new ATOM 0 HD2 PHE B 656 -2.596 1.433 4.788 1.00 1.02 H new ATOM 0 HE1 PHE B 656 -1.058 -3.174 4.012 1.00 34.23 H new ATOM 0 HE2 PHE B 656 -1.926 0.028 6.689 1.00 31.25 H new ATOM 0 HZ PHE B 656 -1.153 -2.277 6.304 1.00 20.10 H new ATOM 976 N MET B 657 -5.610 -0.227 2.096 1.00 40.31 N ATOM 977 CA MET B 657 -6.704 -0.948 2.739 1.00 20.13 C ATOM 978 C MET B 657 -7.402 -1.872 1.747 1.00 65.04 C ATOM 979 O MET B 657 -7.527 -3.073 1.986 1.00 60.43 O ATOM 980 CB MET B 657 -7.712 0.037 3.333 1.00 1.21 C ATOM 981 CG MET B 657 -7.159 0.849 4.492 1.00 73.31 C ATOM 982 SD MET B 657 -8.443 1.403 5.629 1.00 54.34 S ATOM 983 CE MET B 657 -9.431 2.434 4.549 1.00 71.31 C ATOM 0 H MET B 657 -5.794 0.763 1.935 1.00 40.31 H new ATOM 0 HA MET B 657 -6.285 -1.555 3.541 1.00 20.13 H new ATOM 0 HB2 MET B 657 -8.046 0.718 2.550 1.00 1.21 H new ATOM 0 HB3 MET B 657 -8.589 -0.514 3.672 1.00 1.21 H new ATOM 0 HG2 MET B 657 -6.432 0.247 5.037 1.00 73.31 H new ATOM 0 HG3 MET B 657 -6.627 1.716 4.101 1.00 73.31 H new ATOM 0 HE1 MET B 657 -9.631 3.387 5.038 1.00 71.31 H new ATOM 0 HE2 MET B 657 -8.890 2.610 3.619 1.00 71.31 H new ATOM 0 HE3 MET B 657 -10.374 1.933 4.331 1.00 71.31 H new ATOM 993 N MET B 658 -7.856 -1.305 0.635 1.00 45.31 N ATOM 994 CA MET B 658 -8.542 -2.080 -0.393 1.00 24.10 C ATOM 995 C MET B 658 -7.659 -3.219 -0.895 1.00 55.30 C ATOM 996 O MET B 658 -8.073 -4.379 -0.907 1.00 31.34 O ATOM 997 CB MET B 658 -8.941 -1.177 -1.562 1.00 21.02 C ATOM 998 CG MET B 658 -10.159 -0.315 -1.275 1.00 3.23 C ATOM 999 SD MET B 658 -10.899 0.365 -2.774 1.00 74.45 S ATOM 1000 CE MET B 658 -9.435 0.884 -3.667 1.00 51.24 C ATOM 0 H MET B 658 -7.762 -0.312 0.422 1.00 45.31 H new ATOM 0 HA MET B 658 -9.441 -2.508 0.050 1.00 24.10 H new ATOM 0 HB2 MET B 658 -8.100 -0.531 -1.815 1.00 21.02 H new ATOM 0 HB3 MET B 658 -9.142 -1.796 -2.436 1.00 21.02 H new ATOM 0 HG2 MET B 658 -10.903 -0.909 -0.745 1.00 3.23 H new ATOM 0 HG3 MET B 658 -9.873 0.502 -0.613 1.00 3.23 H new ATOM 0 HE1 MET B 658 -9.672 1.754 -4.279 1.00 51.24 H new ATOM 0 HE2 MET B 658 -8.649 1.142 -2.958 1.00 51.24 H new ATOM 0 HE3 MET B 658 -9.093 0.072 -4.308 1.00 51.24 H new ATOM 1010 N LEU B 659 -6.443 -2.881 -1.307 1.00 42.24 N ATOM 1011 CA LEU B 659 -5.502 -3.877 -1.810 1.00 32.34 C ATOM 1012 C LEU B 659 -5.303 -4.999 -0.796 1.00 4.24 C ATOM 1013 O LEU B 659 -5.418 -6.177 -1.130 1.00 2.11 O ATOM 1014 CB LEU B 659 -4.157 -3.219 -2.129 1.00 44.31 C ATOM 1015 CG LEU B 659 -4.126 -2.321 -3.367 1.00 51.50 C ATOM 1016 CD1 LEU B 659 -2.707 -1.860 -3.656 1.00 55.24 C ATOM 1017 CD2 LEU B 659 -4.708 -3.050 -4.569 1.00 73.22 C ATOM 0 H LEU B 659 -6.085 -1.926 -1.303 1.00 42.24 H new ATOM 0 HA LEU B 659 -5.917 -4.306 -2.722 1.00 32.34 H new ATOM 0 HB2 LEU B 659 -3.852 -2.626 -1.267 1.00 44.31 H new ATOM 0 HB3 LEU B 659 -3.412 -4.004 -2.256 1.00 44.31 H new ATOM 0 HG LEU B 659 -4.738 -1.441 -3.170 1.00 51.50 H new ATOM 0 HD11 LEU B 659 -2.705 -1.222 -4.540 1.00 55.24 H new ATOM 0 HD12 LEU B 659 -2.326 -1.299 -2.803 1.00 55.24 H new ATOM 0 HD13 LEU B 659 -2.071 -2.728 -3.833 1.00 55.24 H new ATOM 0 HD21 LEU B 659 -4.678 -2.396 -5.441 1.00 73.22 H new ATOM 0 HD22 LEU B 659 -4.123 -3.948 -4.768 1.00 73.22 H new ATOM 0 HD23 LEU B 659 -5.741 -3.329 -4.360 1.00 73.22 H new ATOM 1029 N GLY B 660 -5.008 -4.625 0.445 1.00 21.32 N ATOM 1030 CA GLY B 660 -4.800 -5.611 1.488 1.00 1.30 C ATOM 1031 C GLY B 660 -6.030 -6.463 1.733 1.00 1.31 C ATOM 1032 O GLY B 660 -5.953 -7.690 1.741 1.00 54.45 O ATOM 0 H GLY B 660 -4.909 -3.656 0.746 1.00 21.32 H new ATOM 0 HA2 GLY B 660 -3.964 -6.255 1.214 1.00 1.30 H new ATOM 0 HA3 GLY B 660 -4.522 -5.105 2.412 1.00 1.30 H new ATOM 1036 N GLY B 661 -7.171 -5.809 1.935 1.00 40.02 N ATOM 1037 CA GLY B 661 -8.406 -6.530 2.180 1.00 70.23 C ATOM 1038 C GLY B 661 -8.846 -7.352 0.984 1.00 33.41 C ATOM 1039 O GLY B 661 -9.438 -8.420 1.139 1.00 43.13 O ATOM 0 H GLY B 661 -7.261 -4.793 1.933 1.00 40.02 H new ATOM 0 HA2 GLY B 661 -8.275 -7.187 3.040 1.00 70.23 H new ATOM 0 HA3 GLY B 661 -9.192 -5.820 2.438 1.00 70.23 H new ATOM 1043 N THR B 662 -8.555 -6.852 -0.214 1.00 52.30 N ATOM 1044 CA THR B 662 -8.927 -7.546 -1.440 1.00 73.43 C ATOM 1045 C THR B 662 -8.032 -8.757 -1.679 1.00 42.45 C ATOM 1046 O THR B 662 -8.518 -9.874 -1.857 1.00 73.02 O ATOM 1047 CB THR B 662 -8.842 -6.611 -2.661 1.00 64.43 C ATOM 1048 OG1 THR B 662 -9.810 -5.562 -2.544 1.00 12.32 O ATOM 1049 CG2 THR B 662 -9.077 -7.382 -3.952 1.00 13.45 C ATOM 0 H THR B 662 -8.064 -5.970 -0.360 1.00 52.30 H new ATOM 0 HA THR B 662 -9.958 -7.878 -1.316 1.00 73.43 H new ATOM 0 HB THR B 662 -7.841 -6.180 -2.691 1.00 64.43 H new ATOM 0 HG1 THR B 662 -9.456 -4.853 -1.968 1.00 12.32 H new ATOM 0 HG21 THR B 662 -9.012 -6.700 -4.800 1.00 13.45 H new ATOM 0 HG22 THR B 662 -8.321 -8.161 -4.054 1.00 13.45 H new ATOM 0 HG23 THR B 662 -10.067 -7.838 -3.928 1.00 13.45 H new ATOM 1057 N PHE B 663 -6.723 -8.529 -1.683 1.00 34.13 N ATOM 1058 CA PHE B 663 -5.760 -9.602 -1.900 1.00 42.33 C ATOM 1059 C PHE B 663 -5.996 -10.751 -0.923 1.00 34.02 C ATOM 1060 O PHE B 663 -6.191 -11.898 -1.329 1.00 23.42 O ATOM 1061 CB PHE B 663 -4.333 -9.074 -1.749 1.00 53.11 C ATOM 1062 CG PHE B 663 -3.349 -9.733 -2.673 1.00 44.24 C ATOM 1063 CD1 PHE B 663 -3.220 -11.113 -2.700 1.00 11.35 C ATOM 1064 CD2 PHE B 663 -2.553 -8.973 -3.516 1.00 53.25 C ATOM 1065 CE1 PHE B 663 -2.315 -11.721 -3.549 1.00 54.53 C ATOM 1066 CE2 PHE B 663 -1.647 -9.577 -4.366 1.00 24.33 C ATOM 1067 CZ PHE B 663 -1.529 -10.953 -4.384 1.00 74.42 C ATOM 0 H PHE B 663 -6.305 -7.610 -1.538 1.00 34.13 H new ATOM 0 HA PHE B 663 -5.895 -9.978 -2.914 1.00 42.33 H new ATOM 0 HB2 PHE B 663 -4.330 -8.000 -1.934 1.00 53.11 H new ATOM 0 HB3 PHE B 663 -4.007 -9.221 -0.719 1.00 53.11 H new ATOM 0 HD1 PHE B 663 -3.834 -11.720 -2.050 1.00 11.35 H new ATOM 0 HD2 PHE B 663 -2.642 -7.897 -3.508 1.00 53.25 H new ATOM 0 HE1 PHE B 663 -2.223 -12.797 -3.559 1.00 54.53 H new ATOM 0 HE2 PHE B 663 -1.031 -8.973 -5.016 1.00 24.33 H new ATOM 0 HZ PHE B 663 -0.823 -11.427 -5.050 1.00 74.42 H new ATOM 1077 N LEU B 664 -5.977 -10.435 0.368 1.00 63.21 N ATOM 1078 CA LEU B 664 -6.188 -11.439 1.405 1.00 63.54 C ATOM 1079 C LEU B 664 -7.520 -12.154 1.207 1.00 11.23 C ATOM 1080 O LEU B 664 -7.582 -13.383 1.196 1.00 22.40 O ATOM 1081 CB LEU B 664 -6.144 -10.789 2.788 1.00 32.22 C ATOM 1082 CG LEU B 664 -4.800 -10.194 3.209 1.00 53.11 C ATOM 1083 CD1 LEU B 664 -4.788 -9.904 4.702 1.00 23.11 C ATOM 1084 CD2 LEU B 664 -3.662 -11.134 2.838 1.00 3.10 C ATOM 0 H LEU B 664 -5.818 -9.491 0.721 1.00 63.21 H new ATOM 0 HA LEU B 664 -5.388 -12.176 1.332 1.00 63.54 H new ATOM 0 HB2 LEU B 664 -6.894 -9.999 2.820 1.00 32.22 H new ATOM 0 HB3 LEU B 664 -6.436 -11.535 3.527 1.00 32.22 H new ATOM 0 HG LEU B 664 -4.658 -9.254 2.676 1.00 53.11 H new ATOM 0 HD11 LEU B 664 -3.823 -9.481 4.983 1.00 23.11 H new ATOM 0 HD12 LEU B 664 -5.579 -9.193 4.941 1.00 23.11 H new ATOM 0 HD13 LEU B 664 -4.953 -10.829 5.254 1.00 23.11 H new ATOM 0 HD21 LEU B 664 -2.713 -10.695 3.145 1.00 3.10 H new ATOM 0 HD22 LEU B 664 -3.800 -12.090 3.344 1.00 3.10 H new ATOM 0 HD23 LEU B 664 -3.657 -11.292 1.759 1.00 3.10 H new ATOM 1096 N TYR B 665 -8.586 -11.376 1.051 1.00 32.53 N ATOM 1097 CA TYR B 665 -9.918 -11.934 0.854 1.00 33.12 C ATOM 1098 C TYR B 665 -9.943 -12.873 -0.348 1.00 14.55 C ATOM 1099 O TYR B 665 -10.477 -13.980 -0.273 1.00 0.13 O ATOM 1100 CB TYR B 665 -10.941 -10.813 0.660 1.00 34.31 C ATOM 1101 CG TYR B 665 -12.259 -11.287 0.093 1.00 23.33 C ATOM 1102 CD1 TYR B 665 -12.469 -11.335 -1.281 1.00 1.43 C ATOM 1103 CD2 TYR B 665 -13.294 -11.686 0.927 1.00 13.55 C ATOM 1104 CE1 TYR B 665 -13.672 -11.766 -1.804 1.00 1.21 C ATOM 1105 CE2 TYR B 665 -14.501 -12.121 0.413 1.00 24.31 C ATOM 1106 CZ TYR B 665 -14.685 -12.159 -0.954 1.00 33.51 C ATOM 1107 OH TYR B 665 -15.885 -12.590 -1.470 1.00 22.21 O ATOM 0 H TYR B 665 -8.553 -10.357 1.057 1.00 32.53 H new ATOM 0 HA TYR B 665 -10.179 -12.505 1.745 1.00 33.12 H new ATOM 0 HB2 TYR B 665 -11.121 -10.327 1.619 1.00 34.31 H new ATOM 0 HB3 TYR B 665 -10.519 -10.059 -0.005 1.00 34.31 H new ATOM 0 HD1 TYR B 665 -11.678 -11.030 -1.950 1.00 1.43 H new ATOM 0 HD2 TYR B 665 -13.154 -11.656 1.997 1.00 13.55 H new ATOM 0 HE1 TYR B 665 -13.819 -11.795 -2.874 1.00 1.21 H new ATOM 0 HE2 TYR B 665 -15.295 -12.429 1.077 1.00 24.31 H new ATOM 0 HH TYR B 665 -16.489 -12.831 -0.737 1.00 22.21 H new ATOM 1117 N TRP B 666 -9.361 -12.424 -1.453 1.00 41.01 N ATOM 1118 CA TRP B 666 -9.315 -13.224 -2.673 1.00 15.05 C ATOM 1119 C TRP B 666 -8.559 -14.527 -2.440 1.00 31.31 C ATOM 1120 O TRP B 666 -9.056 -15.609 -2.755 1.00 25.23 O ATOM 1121 CB TRP B 666 -8.656 -12.432 -3.802 1.00 4.12 C ATOM 1122 CG TRP B 666 -9.295 -12.659 -5.139 1.00 2.14 C ATOM 1123 CD1 TRP B 666 -10.402 -12.031 -5.635 1.00 53.03 C ATOM 1124 CD2 TRP B 666 -8.867 -13.580 -6.148 1.00 74.21 C ATOM 1125 NE1 TRP B 666 -10.687 -12.507 -6.893 1.00 0.34 N ATOM 1126 CE2 TRP B 666 -9.760 -13.456 -7.230 1.00 11.11 C ATOM 1127 CE3 TRP B 666 -7.815 -14.495 -6.244 1.00 4.12 C ATOM 1128 CZ2 TRP B 666 -9.633 -14.215 -8.391 1.00 72.15 C ATOM 1129 CZ3 TRP B 666 -7.690 -15.247 -7.396 1.00 22.31 C ATOM 1130 CH2 TRP B 666 -8.594 -15.103 -8.457 1.00 64.44 C ATOM 0 H TRP B 666 -8.914 -11.510 -1.531 1.00 41.01 H new ATOM 0 HA TRP B 666 -10.339 -13.466 -2.959 1.00 15.05 H new ATOM 0 HB2 TRP B 666 -8.698 -11.369 -3.563 1.00 4.12 H new ATOM 0 HB3 TRP B 666 -7.602 -12.704 -3.860 1.00 4.12 H new ATOM 0 HD1 TRP B 666 -10.969 -11.273 -5.116 1.00 53.03 H new ATOM 0 HE1 TRP B 666 -11.463 -12.202 -7.480 1.00 0.34 H new ATOM 0 HE3 TRP B 666 -7.112 -14.612 -5.432 1.00 4.12 H new ATOM 0 HZ2 TRP B 666 -10.329 -14.107 -9.209 1.00 72.15 H new ATOM 0 HZ3 TRP B 666 -6.882 -15.958 -7.480 1.00 22.31 H new ATOM 0 HH2 TRP B 666 -8.468 -15.705 -9.345 1.00 64.44 H new ATOM 1141 N ARG B 667 -7.355 -14.417 -1.886 1.00 43.01 N ATOM 1142 CA ARG B 667 -6.531 -15.588 -1.613 1.00 14.22 C ATOM 1143 C ARG B 667 -7.301 -16.615 -0.787 1.00 43.10 C ATOM 1144 O ARG B 667 -7.092 -17.820 -0.924 1.00 24.03 O ATOM 1145 CB ARG B 667 -5.255 -15.178 -0.876 1.00 54.44 C ATOM 1146 CG ARG B 667 -4.096 -14.848 -1.801 1.00 24.43 C ATOM 1147 CD ARG B 667 -2.953 -14.184 -1.048 1.00 4.13 C ATOM 1148 NE ARG B 667 -2.130 -15.157 -0.336 1.00 52.33 N ATOM 1149 CZ ARG B 667 -1.164 -15.865 -0.911 1.00 70.50 C ATOM 1150 NH1 ARG B 667 -0.901 -15.707 -2.201 1.00 13.21 N ATOM 1151 NH2 ARG B 667 -0.458 -16.731 -0.195 1.00 45.14 N ATOM 0 H ARG B 667 -6.930 -13.530 -1.618 1.00 43.01 H new ATOM 0 HA ARG B 667 -6.262 -16.043 -2.566 1.00 14.22 H new ATOM 0 HB2 ARG B 667 -5.469 -14.310 -0.252 1.00 54.44 H new ATOM 0 HB3 ARG B 667 -4.956 -15.985 -0.207 1.00 54.44 H new ATOM 0 HG2 ARG B 667 -3.738 -15.761 -2.277 1.00 24.43 H new ATOM 0 HG3 ARG B 667 -4.441 -14.188 -2.597 1.00 24.43 H new ATOM 0 HD2 ARG B 667 -2.331 -13.627 -1.749 1.00 4.13 H new ATOM 0 HD3 ARG B 667 -3.357 -13.462 -0.338 1.00 4.13 H new ATOM 0 HE ARG B 667 -2.306 -15.301 0.658 1.00 52.33 H new ATOM 0 HH11 ARG B 667 -1.441 -15.041 -2.754 1.00 13.21 H new ATOM 0 HH12 ARG B 667 -0.159 -16.251 -2.641 1.00 13.21 H new ATOM 0 HH21 ARG B 667 -0.657 -16.854 0.798 1.00 45.14 H new ATOM 0 HH22 ARG B 667 0.283 -17.274 -0.638 1.00 45.14 H new ATOM 1165 N GLY B 668 -8.193 -16.128 0.070 1.00 74.11 N ATOM 1166 CA GLY B 668 -8.979 -17.016 0.906 1.00 50.44 C ATOM 1167 C GLY B 668 -10.165 -17.607 0.168 1.00 73.41 C ATOM 1168 O GLY B 668 -10.298 -18.827 0.070 1.00 43.21 O ATOM 0 H GLY B 668 -8.385 -15.135 0.200 1.00 74.11 H new ATOM 0 HA2 GLY B 668 -8.344 -17.823 1.272 1.00 50.44 H new ATOM 0 HA3 GLY B 668 -9.334 -16.469 1.779 1.00 50.44 H new ATOM 1172 N ARG B 669 -11.029 -16.740 -0.348 1.00 63.20 N ATOM 1173 CA ARG B 669 -12.211 -17.183 -1.078 1.00 32.23 C ATOM 1174 C ARG B 669 -11.836 -18.188 -2.164 1.00 21.44 C ATOM 1175 O ARG B 669 -12.619 -19.076 -2.498 1.00 61.12 O ATOM 1176 CB ARG B 669 -12.929 -15.985 -1.703 1.00 0.02 C ATOM 1177 CG ARG B 669 -12.306 -15.513 -3.007 1.00 54.12 C ATOM 1178 CD ARG B 669 -13.072 -14.340 -3.598 1.00 52.13 C ATOM 1179 NE ARG B 669 -13.455 -14.581 -4.986 1.00 25.23 N ATOM 1180 CZ ARG B 669 -14.506 -15.312 -5.342 1.00 42.14 C ATOM 1181 NH1 ARG B 669 -15.273 -15.871 -4.417 1.00 22.04 N ATOM 1182 NH2 ARG B 669 -14.790 -15.486 -6.627 1.00 63.52 N ATOM 0 H ARG B 669 -10.933 -15.727 -0.274 1.00 63.20 H new ATOM 0 HA ARG B 669 -12.881 -17.672 -0.371 1.00 32.23 H new ATOM 0 HB2 ARG B 669 -13.971 -16.250 -1.883 1.00 0.02 H new ATOM 0 HB3 ARG B 669 -12.929 -15.160 -0.991 1.00 0.02 H new ATOM 0 HG2 ARG B 669 -11.270 -15.222 -2.832 1.00 54.12 H new ATOM 0 HG3 ARG B 669 -12.289 -16.335 -3.722 1.00 54.12 H new ATOM 0 HD2 ARG B 669 -13.966 -14.153 -3.002 1.00 52.13 H new ATOM 0 HD3 ARG B 669 -12.458 -13.441 -3.542 1.00 52.13 H new ATOM 0 HE ARG B 669 -12.885 -14.166 -5.723 1.00 25.23 H new ATOM 0 HH11 ARG B 669 -15.057 -15.741 -3.429 1.00 22.04 H new ATOM 0 HH12 ARG B 669 -16.079 -16.432 -4.693 1.00 22.04 H new ATOM 0 HH21 ARG B 669 -14.201 -15.058 -7.342 1.00 63.52 H new ATOM 0 HH22 ARG B 669 -15.597 -16.047 -6.900 1.00 63.52 H new ATOM 1196 N ARG B 670 -10.634 -18.038 -2.711 1.00 54.31 N ATOM 1197 CA ARG B 670 -10.155 -18.931 -3.759 1.00 31.30 C ATOM 1198 C ARG B 670 -10.094 -20.371 -3.260 1.00 45.51 C ATOM 1199 O ARG B 670 -10.612 -21.285 -3.904 1.00 21.01 O ATOM 1200 CB ARG B 670 -8.773 -18.488 -4.243 1.00 51.41 C ATOM 1201 CG ARG B 670 -8.816 -17.366 -5.267 1.00 12.33 C ATOM 1202 CD ARG B 670 -9.371 -17.847 -6.598 1.00 3.24 C ATOM 1203 NE ARG B 670 -8.319 -18.330 -7.488 1.00 60.01 N ATOM 1204 CZ ARG B 670 -8.556 -18.957 -8.634 1.00 2.20 C ATOM 1205 NH1 ARG B 670 -9.803 -19.176 -9.029 1.00 3.13 N ATOM 1206 NH2 ARG B 670 -7.545 -19.367 -9.389 1.00 63.43 N ATOM 0 H ARG B 670 -9.974 -17.307 -2.446 1.00 54.31 H new ATOM 0 HA ARG B 670 -10.857 -18.883 -4.592 1.00 31.30 H new ATOM 0 HB2 ARG B 670 -8.184 -18.163 -3.385 1.00 51.41 H new ATOM 0 HB3 ARG B 670 -8.258 -19.345 -4.677 1.00 51.41 H new ATOM 0 HG2 ARG B 670 -9.432 -16.550 -4.888 1.00 12.33 H new ATOM 0 HG3 ARG B 670 -7.812 -16.967 -5.413 1.00 12.33 H new ATOM 0 HD2 ARG B 670 -10.092 -18.645 -6.423 1.00 3.24 H new ATOM 0 HD3 ARG B 670 -9.909 -17.032 -7.082 1.00 3.24 H new ATOM 0 HE ARG B 670 -7.348 -18.177 -7.214 1.00 60.01 H new ATOM 0 HH11 ARG B 670 -10.583 -18.862 -8.452 1.00 3.13 H new ATOM 0 HH12 ARG B 670 -9.982 -19.658 -9.910 1.00 3.13 H new ATOM 0 HH21 ARG B 670 -6.584 -19.201 -9.089 1.00 63.43 H new ATOM 0 HH22 ARG B 670 -7.728 -19.849 -10.269 1.00 63.43 H new ATOM 1220 N HIS B 671 -9.458 -20.568 -2.110 1.00 41.13 N ATOM 1221 CA HIS B 671 -9.329 -21.899 -1.526 1.00 32.22 C ATOM 1222 C HIS B 671 -10.697 -22.466 -1.159 1.00 22.33 C ATOM 1223 O HIS B 671 -10.963 -23.652 -1.357 1.00 31.44 O ATOM 1224 CB HIS B 671 -8.436 -21.849 -0.286 1.00 72.03 C ATOM 1225 CG HIS B 671 -7.621 -23.089 -0.085 1.00 74.13 C ATOM 1226 ND1 HIS B 671 -7.988 -24.321 -0.584 1.00 11.34 N ATOM 1227 CD2 HIS B 671 -6.448 -23.283 0.563 1.00 32.13 C ATOM 1228 CE1 HIS B 671 -7.079 -25.218 -0.249 1.00 45.34 C ATOM 1229 NE2 HIS B 671 -6.134 -24.614 0.447 1.00 60.42 N ATOM 0 H HIS B 671 -9.024 -19.824 -1.564 1.00 41.13 H new ATOM 0 HA HIS B 671 -8.872 -22.553 -2.269 1.00 32.22 H new ATOM 0 HB2 HIS B 671 -7.766 -20.993 -0.365 1.00 72.03 H new ATOM 0 HB3 HIS B 671 -9.059 -21.687 0.594 1.00 72.03 H new ATOM 0 HD1 HIS B 671 -8.830 -24.510 -1.127 1.00 11.34 H new ATOM 0 HD2 HIS B 671 -5.867 -22.530 1.076 1.00 32.13 H new ATOM 0 HE1 HIS B 671 -7.104 -26.268 -0.502 1.00 45.34 H new ATOM 1237 N HIS B 672 -11.563 -21.610 -0.624 1.00 52.11 N ATOM 1238 CA HIS B 672 -12.904 -22.026 -0.230 1.00 54.52 C ATOM 1239 C HIS B 672 -13.838 -22.064 -1.436 1.00 42.04 C ATOM 1240 O HIS B 672 -14.735 -21.230 -1.568 1.00 75.14 O ATOM 1241 CB HIS B 672 -13.464 -21.079 0.832 1.00 20.21 C ATOM 1242 CG HIS B 672 -13.175 -21.516 2.236 1.00 44.10 C ATOM 1243 ND1 HIS B 672 -12.573 -20.699 3.169 1.00 23.01 N ATOM 1244 CD2 HIS B 672 -13.411 -22.691 2.863 1.00 50.53 C ATOM 1245 CE1 HIS B 672 -12.449 -21.354 4.310 1.00 3.11 C ATOM 1246 NE2 HIS B 672 -12.951 -22.565 4.151 1.00 52.44 N ATOM 0 H HIS B 672 -11.360 -20.625 -0.454 1.00 52.11 H new ATOM 0 HA HIS B 672 -12.837 -23.030 0.188 1.00 54.52 H new ATOM 0 HB2 HIS B 672 -13.047 -20.084 0.677 1.00 20.21 H new ATOM 0 HB3 HIS B 672 -14.543 -20.996 0.701 1.00 20.21 H new ATOM 0 HD2 HIS B 672 -13.875 -23.566 2.431 1.00 50.53 H new ATOM 0 HE1 HIS B 672 -12.012 -20.965 5.218 1.00 3.11 H new ATOM 0 HE2 HIS B 672 -12.991 -23.289 4.868 1.00 52.44 H new ATOM 1254 N HIS B 673 -13.621 -23.038 -2.316 1.00 31.44 N ATOM 1255 CA HIS B 673 -14.443 -23.184 -3.512 1.00 11.50 C ATOM 1256 C HIS B 673 -15.899 -23.450 -3.141 1.00 63.15 C ATOM 1257 O HIS B 673 -16.187 -24.053 -2.107 1.00 3.11 O ATOM 1258 CB HIS B 673 -13.912 -24.321 -4.384 1.00 64.35 C ATOM 1259 CG HIS B 673 -12.684 -23.957 -5.162 1.00 33.03 C ATOM 1260 ND1 HIS B 673 -12.534 -22.749 -5.809 1.00 30.02 N ATOM 1261 CD2 HIS B 673 -11.543 -24.648 -5.390 1.00 70.12 C ATOM 1262 CE1 HIS B 673 -11.355 -22.713 -6.405 1.00 52.13 C ATOM 1263 NE2 HIS B 673 -10.733 -23.854 -6.165 1.00 43.41 N ATOM 0 H HIS B 673 -12.884 -23.737 -2.223 1.00 31.44 H new ATOM 0 HA HIS B 673 -14.394 -22.251 -4.073 1.00 11.50 H new ATOM 0 HB2 HIS B 673 -13.689 -25.180 -3.751 1.00 64.35 H new ATOM 0 HB3 HIS B 673 -14.693 -24.631 -5.078 1.00 64.35 H new ATOM 0 HD2 HIS B 673 -11.312 -25.640 -5.030 1.00 70.12 H new ATOM 0 HE1 HIS B 673 -10.966 -21.892 -6.988 1.00 52.13 H new ATOM 0 HE2 HIS B 673 -9.803 -24.104 -6.501 1.00 43.41 H new ATOM 1271 N HIS B 674 -16.814 -22.996 -3.992 1.00 34.55 N ATOM 1272 CA HIS B 674 -18.241 -23.183 -3.753 1.00 71.44 C ATOM 1273 C HIS B 674 -18.909 -23.845 -4.955 1.00 13.12 C ATOM 1274 O HIS B 674 -18.362 -23.850 -6.058 1.00 12.42 O ATOM 1275 CB HIS B 674 -18.911 -21.842 -3.456 1.00 62.31 C ATOM 1276 CG HIS B 674 -18.955 -20.920 -4.635 1.00 4.34 C ATOM 1277 ND1 HIS B 674 -19.915 -21.007 -5.622 1.00 1.00 N ATOM 1278 CD2 HIS B 674 -18.152 -19.887 -4.983 1.00 11.25 C ATOM 1279 CE1 HIS B 674 -19.699 -20.068 -6.527 1.00 53.52 C ATOM 1280 NE2 HIS B 674 -18.636 -19.374 -6.162 1.00 71.01 N ATOM 0 H HIS B 674 -16.593 -22.496 -4.853 1.00 34.55 H new ATOM 0 HA HIS B 674 -18.358 -23.836 -2.888 1.00 71.44 H new ATOM 0 HB2 HIS B 674 -19.928 -22.023 -3.108 1.00 62.31 H new ATOM 0 HB3 HIS B 674 -18.378 -21.352 -2.641 1.00 62.31 H new ATOM 0 HD1 HIS B 674 -20.673 -21.689 -5.649 1.00 1.00 H new ATOM 0 HD2 HIS B 674 -17.291 -19.532 -4.436 1.00 11.25 H new ATOM 0 HE1 HIS B 674 -20.291 -19.897 -7.414 1.00 53.52 H new ATOM 1288 N HIS B 675 -20.096 -24.402 -4.732 1.00 71.44 N ATOM 1289 CA HIS B 675 -20.839 -25.067 -5.797 1.00 14.03 C ATOM 1290 C HIS B 675 -22.081 -24.266 -6.173 1.00 72.23 C ATOM 1291 O HIS B 675 -22.323 -23.186 -5.634 1.00 73.10 O ATOM 1292 CB HIS B 675 -21.239 -26.478 -5.364 1.00 62.11 C ATOM 1293 CG HIS B 675 -22.321 -26.503 -4.330 1.00 12.13 C ATOM 1294 ND1 HIS B 675 -23.655 -26.323 -4.630 1.00 24.11 N ATOM 1295 CD2 HIS B 675 -22.262 -26.689 -2.990 1.00 73.02 C ATOM 1296 CE1 HIS B 675 -24.368 -26.396 -3.521 1.00 41.01 C ATOM 1297 NE2 HIS B 675 -23.547 -26.619 -2.512 1.00 13.04 N ATOM 0 H HIS B 675 -20.563 -24.406 -3.825 1.00 71.44 H new ATOM 0 HA HIS B 675 -20.192 -25.134 -6.672 1.00 14.03 H new ATOM 0 HB2 HIS B 675 -21.571 -27.037 -6.239 1.00 62.11 H new ATOM 0 HB3 HIS B 675 -20.361 -26.991 -4.972 1.00 62.11 H new ATOM 0 HD2 HIS B 675 -21.370 -26.861 -2.406 1.00 73.02 H new ATOM 0 HE1 HIS B 675 -25.441 -26.291 -3.451 1.00 41.01 H new ATOM 0 HE2 HIS B 675 -23.823 -26.723 -1.535 1.00 13.04 H new ATOM 1305 N HIS B 676 -22.866 -24.802 -7.102 1.00 24.31 N ATOM 1306 CA HIS B 676 -24.083 -24.137 -7.551 1.00 44.20 C ATOM 1307 C HIS B 676 -25.203 -25.147 -7.778 1.00 50.43 C ATOM 1308 O HIS B 676 -25.944 -25.060 -8.758 1.00 2.02 O ATOM 1309 CB HIS B 676 -23.819 -23.356 -8.839 1.00 72.34 C ATOM 1310 CG HIS B 676 -24.856 -22.317 -9.134 1.00 21.35 C ATOM 1311 ND1 HIS B 676 -25.259 -21.374 -8.211 1.00 3.33 N ATOM 1312 CD2 HIS B 676 -25.571 -22.073 -10.257 1.00 23.23 C ATOM 1313 CE1 HIS B 676 -26.181 -20.597 -8.754 1.00 73.30 C ATOM 1314 NE2 HIS B 676 -26.387 -20.999 -9.995 1.00 61.12 N ATOM 0 H HIS B 676 -22.681 -25.695 -7.558 1.00 24.31 H new ATOM 0 HA HIS B 676 -24.395 -23.443 -6.771 1.00 44.20 H new ATOM 0 HB2 HIS B 676 -22.844 -22.874 -8.768 1.00 72.34 H new ATOM 0 HB3 HIS B 676 -23.769 -24.055 -9.674 1.00 72.34 H new ATOM 0 HD2 HIS B 676 -25.511 -22.621 -11.186 1.00 23.23 H new ATOM 0 HE1 HIS B 676 -26.681 -19.774 -8.266 1.00 73.30 H new ATOM 0 HE2 HIS B 676 -27.045 -20.580 -10.652 1.00 61.12 H new TER 1322 HIS B 676