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: B 671 HIS : no HD1:sc=-0.00209 X(o=-0.099,f=-0.095) USER MOD Set 1.2: B 674 HIS : no HD1:sc= -0.097 X(o=-0.099,f=-0.25) 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= -1.73 K(o=-1.7,f=-2.3!) USER MOD Single : A 643 THR OG1 : rot 86:sc= 0.341 USER MOD Single : A 644 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 647 THR OG1 : rot 71:sc= 0.533 USER MOD Single : A 657 MET CE :methyl -121:sc= -0.0541 (180deg=-2.77!) USER MOD Single : A 658 MET CE :methyl -148:sc= -2 (180deg=-4.15!) USER MOD Single : A 662 THR OG1 : rot 80:sc= 1.14 USER MOD Single : A 665 TYR OH : rot 180:sc= -0.479 USER MOD Single : A 671 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.19) USER MOD Single : A 672 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 673 HIS : no HD1:sc= -0.126 K(o=-0.13,f=-0.85) USER MOD Single : A 674 HIS : no HE2:sc= 0.0121 X(o=0.012,f=-0.27) USER MOD Single : A 675 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 676 HIS : no HD1:sc= 0 X(o=0,f=-0.083) USER MOD Single : B 637 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 640 THR OG1 : rot 180:sc= 0 USER MOD Single : B 641 HIS : no HD1:sc= -0.446 K(o=-0.45,f=-1.3) USER MOD Single : B 643 THR OG1 : rot 87:sc= 0.37 USER MOD Single : B 644 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 647 THR OG1 : rot 69:sc= 0.474 USER MOD Single : B 657 MET CE :methyl -122:sc= -0.0539 (180deg=-2.74!) USER MOD Single : B 658 MET CE :methyl -148:sc= -1.93 (180deg=-4.02!) USER MOD Single : B 662 THR OG1 : rot 81:sc= 1.12 USER MOD Single : B 665 TYR OH : rot 180:sc= 0 USER MOD Single : B 672 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.013) USER MOD Single : B 673 HIS : no HD1:sc= -0.316 X(o=-0.32,f=-0.57) USER MOD Single : B 675 HIS : no HD1:sc=-0.00708 X(o=-0.0071,f=0) USER MOD Single : B 676 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 637 -2.462 27.475 6.883 1.00 24.20 N ATOM 2 CA MET A 637 -1.587 28.236 7.766 1.00 70.11 C ATOM 3 C MET A 637 -0.676 27.307 8.563 1.00 3.24 C ATOM 4 O MET A 637 -1.132 26.319 9.138 1.00 24.24 O ATOM 5 CB MET A 637 -2.416 29.098 8.721 1.00 23.01 C ATOM 6 CG MET A 637 -1.707 30.367 9.164 1.00 21.45 C ATOM 7 SD MET A 637 -1.739 31.658 7.904 1.00 74.25 S ATOM 8 CE MET A 637 -2.669 32.934 8.749 1.00 52.05 C ATOM 0 HA MET A 637 -0.965 28.884 7.149 1.00 70.11 H new ATOM 0 HB2 MET A 637 -3.354 29.366 8.234 1.00 23.01 H new ATOM 0 HB3 MET A 637 -2.671 28.508 9.601 1.00 23.01 H new ATOM 0 HG2 MET A 637 -2.176 30.741 10.074 1.00 21.45 H new ATOM 0 HG3 MET A 637 -0.672 30.132 9.412 1.00 21.45 H new ATOM 0 HE1 MET A 637 -2.774 33.801 8.096 1.00 52.05 H new ATOM 0 HE2 MET A 637 -3.657 32.553 9.008 1.00 52.05 H new ATOM 0 HE3 MET A 637 -2.143 33.226 9.658 1.00 52.05 H new ATOM 18 N GLY A 638 0.613 27.630 8.591 1.00 11.43 N ATOM 19 CA GLY A 638 1.567 26.814 9.319 1.00 13.54 C ATOM 20 C GLY A 638 2.543 26.104 8.402 1.00 31.34 C ATOM 21 O GLY A 638 2.182 25.691 7.301 1.00 2.53 O ATOM 0 H GLY A 638 1.014 28.442 8.122 1.00 11.43 H new ATOM 0 HA2 GLY A 638 2.120 27.443 10.016 1.00 13.54 H new ATOM 0 HA3 GLY A 638 1.029 26.076 9.914 1.00 13.54 H new ATOM 25 N ARG A 639 3.785 25.966 8.856 1.00 3.14 N ATOM 26 CA ARG A 639 4.816 25.306 8.066 1.00 72.33 C ATOM 27 C ARG A 639 5.336 24.061 8.781 1.00 4.43 C ATOM 28 O ARG A 639 5.927 23.177 8.162 1.00 70.43 O ATOM 29 CB ARG A 639 5.974 26.268 7.792 1.00 2.44 C ATOM 30 CG ARG A 639 5.775 27.119 6.548 1.00 31.14 C ATOM 31 CD ARG A 639 4.793 28.253 6.800 1.00 32.42 C ATOM 32 NE ARG A 639 3.687 28.241 5.847 1.00 64.21 N ATOM 33 CZ ARG A 639 2.892 29.283 5.630 1.00 52.33 C ATOM 34 NH1 ARG A 639 3.081 30.414 6.295 1.00 5.44 N ATOM 35 NH2 ARG A 639 1.906 29.194 4.745 1.00 35.22 N ATOM 0 H ARG A 639 4.101 26.302 9.766 1.00 3.14 H new ATOM 0 HA ARG A 639 4.372 25.002 7.118 1.00 72.33 H new ATOM 0 HB2 ARG A 639 6.103 26.923 8.654 1.00 2.44 H new ATOM 0 HB3 ARG A 639 6.895 25.695 7.687 1.00 2.44 H new ATOM 0 HG2 ARG A 639 6.733 27.530 6.230 1.00 31.14 H new ATOM 0 HG3 ARG A 639 5.410 26.494 5.733 1.00 31.14 H new ATOM 0 HD2 ARG A 639 4.399 28.173 7.813 1.00 32.42 H new ATOM 0 HD3 ARG A 639 5.317 29.207 6.736 1.00 32.42 H new ATOM 0 HE ARG A 639 3.515 27.386 5.319 1.00 64.21 H new ATOM 0 HH11 ARG A 639 3.838 30.485 6.975 1.00 5.44 H new ATOM 0 HH12 ARG A 639 2.469 31.213 6.127 1.00 5.44 H new ATOM 0 HH21 ARG A 639 1.759 28.325 4.231 1.00 35.22 H new ATOM 0 HH22 ARG A 639 1.296 29.994 4.579 1.00 35.22 H new ATOM 49 N THR A 640 5.108 23.999 10.090 1.00 31.30 N ATOM 50 CA THR A 640 5.553 22.866 10.890 1.00 51.25 C ATOM 51 C THR A 640 4.641 21.660 10.690 1.00 14.13 C ATOM 52 O THR A 640 5.081 20.514 10.785 1.00 10.45 O ATOM 53 CB THR A 640 5.598 23.218 12.388 1.00 31.41 C ATOM 54 OG1 THR A 640 6.338 22.223 13.104 1.00 40.44 O ATOM 55 CG2 THR A 640 4.193 23.324 12.962 1.00 31.43 C ATOM 0 H THR A 640 4.617 24.721 10.618 1.00 31.30 H new ATOM 0 HA THR A 640 6.559 22.618 10.553 1.00 51.25 H new ATOM 0 HB THR A 640 6.091 24.184 12.496 1.00 31.41 H new ATOM 0 HG1 THR A 640 6.363 22.456 14.056 1.00 40.44 H new ATOM 0 HG21 THR A 640 4.251 23.573 14.022 1.00 31.43 H new ATOM 0 HG22 THR A 640 3.643 24.103 12.435 1.00 31.43 H new ATOM 0 HG23 THR A 640 3.678 22.371 12.841 1.00 31.43 H new ATOM 63 N HIS A 641 3.368 21.926 10.414 1.00 21.22 N ATOM 64 CA HIS A 641 2.394 20.863 10.200 1.00 45.53 C ATOM 65 C HIS A 641 2.745 20.046 8.959 1.00 1.42 C ATOM 66 O HIS A 641 2.199 18.963 8.741 1.00 65.10 O ATOM 67 CB HIS A 641 0.989 21.449 10.058 1.00 51.43 C ATOM 68 CG HIS A 641 0.749 22.115 8.739 1.00 10.41 C ATOM 69 ND1 HIS A 641 0.462 21.418 7.585 1.00 63.34 N ATOM 70 CD2 HIS A 641 0.750 23.424 8.395 1.00 33.12 C ATOM 71 CE1 HIS A 641 0.300 22.269 6.587 1.00 52.31 C ATOM 72 NE2 HIS A 641 0.469 23.493 7.053 1.00 21.24 N ATOM 0 H HIS A 641 2.988 22.869 10.333 1.00 21.22 H new ATOM 0 HA HIS A 641 2.418 20.203 11.067 1.00 45.53 H new ATOM 0 HB2 HIS A 641 0.257 20.653 10.192 1.00 51.43 H new ATOM 0 HB3 HIS A 641 0.823 22.172 10.856 1.00 51.43 H new ATOM 0 HD2 HIS A 641 0.937 24.259 9.054 1.00 33.12 H new ATOM 0 HE1 HIS A 641 0.069 22.008 5.565 1.00 52.31 H new ATOM 0 HE2 HIS A 641 0.402 24.351 6.505 1.00 21.24 H new ATOM 80 N LEU A 642 3.655 20.573 8.148 1.00 20.40 N ATOM 81 CA LEU A 642 4.079 19.894 6.928 1.00 41.31 C ATOM 82 C LEU A 642 4.907 18.656 7.254 1.00 60.35 C ATOM 83 O LEU A 642 4.870 17.662 6.528 1.00 51.23 O ATOM 84 CB LEU A 642 4.888 20.846 6.045 1.00 12.32 C ATOM 85 CG LEU A 642 4.076 21.778 5.145 1.00 70.31 C ATOM 86 CD1 LEU A 642 4.867 23.040 4.832 1.00 51.31 C ATOM 87 CD2 LEU A 642 3.676 21.066 3.861 1.00 54.14 C ATOM 0 H LEU A 642 4.114 21.469 8.313 1.00 20.40 H new ATOM 0 HA LEU A 642 3.186 19.579 6.388 1.00 41.31 H new ATOM 0 HB2 LEU A 642 5.522 21.456 6.688 1.00 12.32 H new ATOM 0 HB3 LEU A 642 5.550 20.252 5.416 1.00 12.32 H new ATOM 0 HG LEU A 642 3.168 22.064 5.676 1.00 70.31 H new ATOM 0 HD11 LEU A 642 4.274 23.692 4.190 1.00 51.31 H new ATOM 0 HD12 LEU A 642 5.103 23.561 5.760 1.00 51.31 H new ATOM 0 HD13 LEU A 642 5.792 22.772 4.321 1.00 51.31 H new ATOM 0 HD21 LEU A 642 3.099 21.745 3.233 1.00 54.14 H new ATOM 0 HD22 LEU A 642 4.572 20.750 3.326 1.00 54.14 H new ATOM 0 HD23 LEU A 642 3.071 20.192 4.103 1.00 54.14 H new ATOM 99 N THR A 643 5.656 18.723 8.351 1.00 52.23 N ATOM 100 CA THR A 643 6.493 17.607 8.773 1.00 14.14 C ATOM 101 C THR A 643 5.657 16.361 9.040 1.00 3.14 C ATOM 102 O THR A 643 5.919 15.295 8.483 1.00 11.03 O ATOM 103 CB THR A 643 7.294 17.955 10.043 1.00 42.13 C ATOM 104 OG1 THR A 643 7.728 19.319 9.989 1.00 52.45 O ATOM 105 CG2 THR A 643 8.500 17.039 10.190 1.00 30.10 C ATOM 0 H THR A 643 5.700 19.538 8.963 1.00 52.23 H new ATOM 0 HA THR A 643 7.187 17.407 7.957 1.00 14.14 H new ATOM 0 HB THR A 643 6.644 17.815 10.907 1.00 42.13 H new ATOM 0 HG1 THR A 643 7.018 19.902 10.331 1.00 52.45 H new ATOM 0 HG21 THR A 643 9.050 17.304 11.093 1.00 30.10 H new ATOM 0 HG22 THR A 643 8.165 16.004 10.259 1.00 30.10 H new ATOM 0 HG23 THR A 643 9.151 17.152 9.323 1.00 30.10 H new ATOM 113 N MET A 644 4.648 16.502 9.894 1.00 12.14 N ATOM 114 CA MET A 644 3.771 15.388 10.233 1.00 64.04 C ATOM 115 C MET A 644 2.998 14.913 9.007 1.00 62.12 C ATOM 116 O MET A 644 2.953 13.718 8.714 1.00 10.53 O ATOM 117 CB MET A 644 2.797 15.795 11.339 1.00 64.30 C ATOM 118 CG MET A 644 3.473 16.073 12.672 1.00 25.25 C ATOM 119 SD MET A 644 3.675 14.587 13.672 1.00 2.12 S ATOM 120 CE MET A 644 5.355 14.797 14.254 1.00 34.51 C ATOM 0 H MET A 644 4.418 17.378 10.364 1.00 12.14 H new ATOM 0 HA MET A 644 4.391 14.566 10.591 1.00 64.04 H new ATOM 0 HB2 MET A 644 2.254 16.686 11.024 1.00 64.30 H new ATOM 0 HB3 MET A 644 2.060 15.003 11.473 1.00 64.30 H new ATOM 0 HG2 MET A 644 4.450 16.521 12.493 1.00 25.25 H new ATOM 0 HG3 MET A 644 2.885 16.803 13.228 1.00 25.25 H new ATOM 0 HE1 MET A 644 5.628 13.954 14.889 1.00 34.51 H new ATOM 0 HE2 MET A 644 6.032 14.844 13.401 1.00 34.51 H new ATOM 0 HE3 MET A 644 5.429 15.721 14.827 1.00 34.51 H new ATOM 130 N ALA A 645 2.391 15.856 8.294 1.00 41.12 N ATOM 131 CA ALA A 645 1.620 15.534 7.099 1.00 62.34 C ATOM 132 C ALA A 645 2.483 14.818 6.066 1.00 75.55 C ATOM 133 O ALA A 645 2.043 13.857 5.432 1.00 70.53 O ATOM 134 CB ALA A 645 1.019 16.797 6.501 1.00 12.12 C ATOM 0 H ALA A 645 2.418 16.850 8.523 1.00 41.12 H new ATOM 0 HA ALA A 645 0.812 14.862 7.389 1.00 62.34 H new ATOM 0 HB1 ALA A 645 0.446 16.541 5.610 1.00 12.12 H new ATOM 0 HB2 ALA A 645 0.362 17.268 7.232 1.00 12.12 H new ATOM 0 HB3 ALA A 645 1.818 17.488 6.233 1.00 12.12 H new ATOM 140 N LEU A 646 3.714 15.290 5.901 1.00 42.05 N ATOM 141 CA LEU A 646 4.641 14.694 4.943 1.00 11.50 C ATOM 142 C LEU A 646 4.922 13.237 5.293 1.00 44.11 C ATOM 143 O LEU A 646 4.938 12.369 4.419 1.00 61.52 O ATOM 144 CB LEU A 646 5.949 15.485 4.910 1.00 72.24 C ATOM 145 CG LEU A 646 5.982 16.690 3.969 1.00 53.35 C ATOM 146 CD1 LEU A 646 6.939 17.750 4.492 1.00 12.54 C ATOM 147 CD2 LEU A 646 6.376 16.259 2.564 1.00 60.43 C ATOM 0 H LEU A 646 4.094 16.083 6.418 1.00 42.05 H new ATOM 0 HA LEU A 646 4.179 14.728 3.957 1.00 11.50 H new ATOM 0 HB2 LEU A 646 6.166 15.832 5.920 1.00 72.24 H new ATOM 0 HB3 LEU A 646 6.754 14.806 4.627 1.00 72.24 H new ATOM 0 HG LEU A 646 4.982 17.122 3.928 1.00 53.35 H new ATOM 0 HD11 LEU A 646 6.949 18.600 3.809 1.00 12.54 H new ATOM 0 HD12 LEU A 646 6.612 18.081 5.478 1.00 12.54 H new ATOM 0 HD13 LEU A 646 7.942 17.331 4.564 1.00 12.54 H new ATOM 0 HD21 LEU A 646 6.394 17.129 1.908 1.00 60.43 H new ATOM 0 HD22 LEU A 646 7.365 15.802 2.588 1.00 60.43 H new ATOM 0 HD23 LEU A 646 5.651 15.537 2.188 1.00 60.43 H new ATOM 159 N THR A 647 5.142 12.973 6.577 1.00 72.51 N ATOM 160 CA THR A 647 5.422 11.621 7.044 1.00 64.52 C ATOM 161 C THR A 647 4.265 10.680 6.727 1.00 54.15 C ATOM 162 O THR A 647 4.472 9.560 6.259 1.00 34.30 O ATOM 163 CB THR A 647 5.692 11.594 8.559 1.00 10.01 C ATOM 164 OG1 THR A 647 6.778 12.470 8.879 1.00 20.33 O ATOM 165 CG2 THR A 647 6.018 10.183 9.026 1.00 40.15 C ATOM 0 H THR A 647 5.132 13.679 7.313 1.00 72.51 H new ATOM 0 HA THR A 647 6.315 11.284 6.519 1.00 64.52 H new ATOM 0 HB THR A 647 4.791 11.930 9.072 1.00 10.01 H new ATOM 0 HG1 THR A 647 6.488 13.401 8.778 1.00 20.33 H new ATOM 0 HG21 THR A 647 6.205 10.189 10.100 1.00 40.15 H new ATOM 0 HG22 THR A 647 5.177 9.524 8.808 1.00 40.15 H new ATOM 0 HG23 THR A 647 6.905 9.823 8.505 1.00 40.15 H new ATOM 173 N VAL A 648 3.046 11.142 6.986 1.00 63.10 N ATOM 174 CA VAL A 648 1.855 10.341 6.727 1.00 1.35 C ATOM 175 C VAL A 648 1.756 9.964 5.253 1.00 52.51 C ATOM 176 O VAL A 648 1.567 8.795 4.913 1.00 22.23 O ATOM 177 CB VAL A 648 0.575 11.091 7.142 1.00 1.10 C ATOM 178 CG1 VAL A 648 -0.660 10.290 6.758 1.00 42.41 C ATOM 179 CG2 VAL A 648 0.588 11.383 8.635 1.00 44.42 C ATOM 0 H VAL A 648 2.857 12.066 7.375 1.00 63.10 H new ATOM 0 HA VAL A 648 1.946 9.434 7.325 1.00 1.35 H new ATOM 0 HB VAL A 648 0.543 12.042 6.610 1.00 1.10 H new ATOM 0 HG11 VAL A 648 -1.555 10.835 7.059 1.00 42.41 H new ATOM 0 HG12 VAL A 648 -0.674 10.137 5.679 1.00 42.41 H new ATOM 0 HG13 VAL A 648 -0.638 9.323 7.261 1.00 42.41 H new ATOM 0 HG21 VAL A 648 -0.324 11.913 8.910 1.00 44.42 H new ATOM 0 HG22 VAL A 648 0.644 10.446 9.189 1.00 44.42 H new ATOM 0 HG23 VAL A 648 1.453 12.000 8.878 1.00 44.42 H new ATOM 189 N ILE A 649 1.884 10.960 4.383 1.00 54.53 N ATOM 190 CA ILE A 649 1.810 10.731 2.946 1.00 74.40 C ATOM 191 C ILE A 649 2.882 9.747 2.490 1.00 54.23 C ATOM 192 O ILE A 649 2.589 8.771 1.798 1.00 22.13 O ATOM 193 CB ILE A 649 1.969 12.046 2.159 1.00 71.31 C ATOM 194 CG1 ILE A 649 0.845 13.019 2.517 1.00 24.21 C ATOM 195 CG2 ILE A 649 1.981 11.769 0.663 1.00 71.14 C ATOM 196 CD1 ILE A 649 0.935 14.342 1.789 1.00 30.52 C ATOM 0 H ILE A 649 2.039 11.933 4.648 1.00 54.53 H new ATOM 0 HA ILE A 649 0.825 10.311 2.743 1.00 74.40 H new ATOM 0 HB ILE A 649 2.920 12.503 2.432 1.00 71.31 H new ATOM 0 HG12 ILE A 649 -0.114 12.553 2.290 1.00 24.21 H new ATOM 0 HG13 ILE A 649 0.863 13.203 3.591 1.00 24.21 H new ATOM 0 HG21 ILE A 649 2.094 12.707 0.120 1.00 71.14 H new ATOM 0 HG22 ILE A 649 2.813 11.108 0.422 1.00 71.14 H new ATOM 0 HG23 ILE A 649 1.044 11.293 0.374 1.00 71.14 H new ATOM 0 HD11 ILE A 649 0.106 14.981 2.092 1.00 30.52 H new ATOM 0 HD12 ILE A 649 1.878 14.830 2.036 1.00 30.52 H new ATOM 0 HD13 ILE A 649 0.886 14.170 0.714 1.00 30.52 H new ATOM 208 N ALA A 650 4.124 10.007 2.884 1.00 74.04 N ATOM 209 CA ALA A 650 5.239 9.141 2.520 1.00 2.24 C ATOM 210 C ALA A 650 5.035 7.728 3.056 1.00 31.31 C ATOM 211 O ALA A 650 5.284 6.747 2.358 1.00 33.50 O ATOM 212 CB ALA A 650 6.548 9.720 3.035 1.00 11.35 C ATOM 0 H ALA A 650 4.384 10.811 3.456 1.00 74.04 H new ATOM 0 HA ALA A 650 5.283 9.085 1.432 1.00 2.24 H new ATOM 0 HB1 ALA A 650 7.371 9.063 2.756 1.00 11.35 H new ATOM 0 HB2 ALA A 650 6.707 10.706 2.598 1.00 11.35 H new ATOM 0 HB3 ALA A 650 6.505 9.807 4.121 1.00 11.35 H new ATOM 218 N GLY A 651 4.581 7.634 4.303 1.00 61.40 N ATOM 219 CA GLY A 651 4.353 6.337 4.912 1.00 4.42 C ATOM 220 C GLY A 651 3.424 5.465 4.090 1.00 43.03 C ATOM 221 O GLY A 651 3.741 4.312 3.795 1.00 30.41 O ATOM 0 H GLY A 651 4.368 8.432 4.901 1.00 61.40 H new ATOM 0 HA2 GLY A 651 5.307 5.826 5.039 1.00 4.42 H new ATOM 0 HA3 GLY A 651 3.930 6.476 5.907 1.00 4.42 H new ATOM 225 N LEU A 652 2.272 6.015 3.721 1.00 44.02 N ATOM 226 CA LEU A 652 1.293 5.279 2.929 1.00 64.31 C ATOM 227 C LEU A 652 1.887 4.849 1.591 1.00 41.04 C ATOM 228 O LEU A 652 1.810 3.679 1.213 1.00 1.10 O ATOM 229 CB LEU A 652 0.049 6.137 2.694 1.00 14.43 C ATOM 230 CG LEU A 652 -0.701 6.589 3.948 1.00 62.13 C ATOM 231 CD1 LEU A 652 -1.799 7.577 3.587 1.00 2.03 C ATOM 232 CD2 LEU A 652 -1.282 5.389 4.682 1.00 34.41 C ATOM 0 H LEU A 652 1.993 6.967 3.957 1.00 44.02 H new ATOM 0 HA LEU A 652 1.011 4.385 3.485 1.00 64.31 H new ATOM 0 HB2 LEU A 652 0.344 7.023 2.132 1.00 14.43 H new ATOM 0 HB3 LEU A 652 -0.641 5.576 2.064 1.00 14.43 H new ATOM 0 HG LEU A 652 0.006 7.089 4.610 1.00 62.13 H new ATOM 0 HD11 LEU A 652 -2.321 7.887 4.492 1.00 2.03 H new ATOM 0 HD12 LEU A 652 -1.359 8.450 3.105 1.00 2.03 H new ATOM 0 HD13 LEU A 652 -2.505 7.103 2.905 1.00 2.03 H new ATOM 0 HD21 LEU A 652 -1.812 5.729 5.572 1.00 34.41 H new ATOM 0 HD22 LEU A 652 -1.974 4.862 4.026 1.00 34.41 H new ATOM 0 HD23 LEU A 652 -0.476 4.716 4.975 1.00 34.41 H new ATOM 244 N VAL A 653 2.481 5.801 0.879 1.00 73.41 N ATOM 245 CA VAL A 653 3.091 5.520 -0.415 1.00 20.42 C ATOM 246 C VAL A 653 4.081 4.364 -0.317 1.00 53.42 C ATOM 247 O VAL A 653 4.003 3.400 -1.078 1.00 41.13 O ATOM 248 CB VAL A 653 3.819 6.757 -0.972 1.00 62.31 C ATOM 249 CG1 VAL A 653 4.659 6.383 -2.185 1.00 11.40 C ATOM 250 CG2 VAL A 653 2.820 7.849 -1.323 1.00 2.21 C ATOM 0 H VAL A 653 2.553 6.774 1.177 1.00 73.41 H new ATOM 0 HA VAL A 653 2.283 5.246 -1.093 1.00 20.42 H new ATOM 0 HB VAL A 653 4.488 7.140 -0.201 1.00 62.31 H new ATOM 0 HG11 VAL A 653 5.166 7.270 -2.564 1.00 11.40 H new ATOM 0 HG12 VAL A 653 5.400 5.637 -1.898 1.00 11.40 H new ATOM 0 HG13 VAL A 653 4.014 5.974 -2.962 1.00 11.40 H new ATOM 0 HG21 VAL A 653 3.352 8.716 -1.715 1.00 2.21 H new ATOM 0 HG22 VAL A 653 2.125 7.478 -2.076 1.00 2.21 H new ATOM 0 HG23 VAL A 653 2.266 8.137 -0.429 1.00 2.21 H new ATOM 260 N VAL A 654 5.011 4.467 0.628 1.00 64.43 N ATOM 261 CA VAL A 654 6.015 3.429 0.827 1.00 74.31 C ATOM 262 C VAL A 654 5.363 2.069 1.053 1.00 14.15 C ATOM 263 O VAL A 654 5.873 1.043 0.603 1.00 44.32 O ATOM 264 CB VAL A 654 6.928 3.755 2.025 1.00 64.13 C ATOM 265 CG1 VAL A 654 7.941 2.640 2.242 1.00 31.23 C ATOM 266 CG2 VAL A 654 7.627 5.089 1.813 1.00 75.12 C ATOM 0 H VAL A 654 5.089 5.258 1.267 1.00 64.43 H new ATOM 0 HA VAL A 654 6.618 3.392 -0.081 1.00 74.31 H new ATOM 0 HB VAL A 654 6.312 3.833 2.921 1.00 64.13 H new ATOM 0 HG11 VAL A 654 8.577 2.887 3.092 1.00 31.23 H new ATOM 0 HG12 VAL A 654 7.416 1.705 2.441 1.00 31.23 H new ATOM 0 HG13 VAL A 654 8.556 2.528 1.349 1.00 31.23 H new ATOM 0 HG21 VAL A 654 8.268 5.304 2.668 1.00 75.12 H new ATOM 0 HG22 VAL A 654 8.233 5.043 0.908 1.00 75.12 H new ATOM 0 HG23 VAL A 654 6.882 5.878 1.711 1.00 75.12 H new ATOM 276 N ILE A 655 4.235 2.071 1.755 1.00 41.21 N ATOM 277 CA ILE A 655 3.512 0.837 2.040 1.00 44.01 C ATOM 278 C ILE A 655 2.935 0.231 0.765 1.00 43.25 C ATOM 279 O ILE A 655 3.159 -0.943 0.467 1.00 74.22 O ATOM 280 CB ILE A 655 2.369 1.074 3.045 1.00 74.24 C ATOM 281 CG1 ILE A 655 2.934 1.488 4.405 1.00 51.45 C ATOM 282 CG2 ILE A 655 1.514 -0.177 3.178 1.00 13.52 C ATOM 283 CD1 ILE A 655 1.972 2.309 5.235 1.00 63.14 C ATOM 0 H ILE A 655 3.802 2.912 2.137 1.00 41.21 H new ATOM 0 HA ILE A 655 4.231 0.143 2.476 1.00 44.01 H new ATOM 0 HB ILE A 655 1.740 1.883 2.674 1.00 74.24 H new ATOM 0 HG12 ILE A 655 3.210 0.593 4.963 1.00 51.45 H new ATOM 0 HG13 ILE A 655 3.848 2.061 4.250 1.00 51.45 H new ATOM 0 HG21 ILE A 655 0.710 0.006 3.891 1.00 13.52 H new ATOM 0 HG22 ILE A 655 1.087 -0.431 2.208 1.00 13.52 H new ATOM 0 HG23 ILE A 655 2.131 -1.004 3.530 1.00 13.52 H new ATOM 0 HD11 ILE A 655 2.440 2.567 6.185 1.00 63.14 H new ATOM 0 HD12 ILE A 655 1.715 3.222 4.698 1.00 63.14 H new ATOM 0 HD13 ILE A 655 1.067 1.731 5.421 1.00 63.14 H new ATOM 295 N PHE A 656 2.193 1.039 0.015 1.00 50.45 N ATOM 296 CA PHE A 656 1.585 0.582 -1.229 1.00 5.11 C ATOM 297 C PHE A 656 2.648 0.088 -2.205 1.00 53.22 C ATOM 298 O PHE A 656 2.461 -0.921 -2.885 1.00 10.33 O ATOM 299 CB PHE A 656 0.774 1.711 -1.869 1.00 24.50 C ATOM 300 CG PHE A 656 0.373 1.430 -3.289 1.00 51.50 C ATOM 301 CD1 PHE A 656 -0.048 0.165 -3.667 1.00 74.43 C ATOM 302 CD2 PHE A 656 0.414 2.430 -4.245 1.00 25.45 C ATOM 303 CE1 PHE A 656 -0.417 -0.097 -4.972 1.00 23.00 C ATOM 304 CE2 PHE A 656 0.046 2.176 -5.554 1.00 55.33 C ATOM 305 CZ PHE A 656 -0.371 0.910 -5.917 1.00 11.51 C ATOM 0 H PHE A 656 1.998 2.013 0.247 1.00 50.45 H new ATOM 0 HA PHE A 656 0.918 -0.248 -0.995 1.00 5.11 H new ATOM 0 HB2 PHE A 656 -0.123 1.886 -1.274 1.00 24.50 H new ATOM 0 HB3 PHE A 656 1.360 2.630 -1.840 1.00 24.50 H new ATOM 0 HD1 PHE A 656 -0.088 -0.626 -2.932 1.00 74.43 H new ATOM 0 HD2 PHE A 656 0.738 3.422 -3.965 1.00 25.45 H new ATOM 0 HE1 PHE A 656 -0.741 -1.088 -5.253 1.00 23.00 H new ATOM 0 HE2 PHE A 656 0.085 2.965 -6.290 1.00 55.33 H new ATOM 0 HZ PHE A 656 -0.661 0.708 -6.938 1.00 11.51 H new ATOM 315 N MET A 657 3.764 0.806 -2.268 1.00 33.31 N ATOM 316 CA MET A 657 4.859 0.440 -3.160 1.00 63.05 C ATOM 317 C MET A 657 5.568 -0.816 -2.664 1.00 41.11 C ATOM 318 O MET A 657 5.698 -1.797 -3.395 1.00 25.31 O ATOM 319 CB MET A 657 5.858 1.592 -3.277 1.00 15.12 C ATOM 320 CG MET A 657 5.293 2.819 -3.973 1.00 5.32 C ATOM 321 SD MET A 657 6.566 3.811 -4.775 1.00 20.43 S ATOM 322 CE MET A 657 7.468 4.420 -3.352 1.00 53.22 C ATOM 0 H MET A 657 3.935 1.644 -1.713 1.00 33.31 H new ATOM 0 HA MET A 657 4.438 0.233 -4.144 1.00 63.05 H new ATOM 0 HB2 MET A 657 6.194 1.873 -2.279 1.00 15.12 H new ATOM 0 HB3 MET A 657 6.736 1.247 -3.823 1.00 15.12 H new ATOM 0 HG2 MET A 657 4.561 2.505 -4.717 1.00 5.32 H new ATOM 0 HG3 MET A 657 4.764 3.434 -3.245 1.00 5.32 H new ATOM 0 HE1 MET A 657 7.453 5.510 -3.351 1.00 53.22 H new ATOM 0 HE2 MET A 657 7.001 4.049 -2.439 1.00 53.22 H new ATOM 0 HE3 MET A 657 8.500 4.072 -3.399 1.00 53.22 H new ATOM 332 N MET A 658 6.026 -0.777 -1.417 1.00 33.31 N ATOM 333 CA MET A 658 6.722 -1.913 -0.823 1.00 73.24 C ATOM 334 C MET A 658 5.849 -3.163 -0.856 1.00 53.21 C ATOM 335 O MET A 658 6.270 -4.214 -1.341 1.00 0.30 O ATOM 336 CB MET A 658 7.125 -1.596 0.618 1.00 32.23 C ATOM 337 CG MET A 658 8.336 -0.683 0.724 1.00 24.44 C ATOM 338 SD MET A 658 9.083 -0.708 2.364 1.00 70.52 S ATOM 339 CE MET A 658 7.626 -0.633 3.402 1.00 13.24 C ATOM 0 H MET A 658 5.928 0.028 -0.799 1.00 33.31 H new ATOM 0 HA MET A 658 7.621 -2.103 -1.410 1.00 73.24 H new ATOM 0 HB2 MET A 658 6.282 -1.129 1.128 1.00 32.23 H new ATOM 0 HB3 MET A 658 7.337 -2.529 1.141 1.00 32.23 H new ATOM 0 HG2 MET A 658 9.079 -0.985 -0.014 1.00 24.44 H new ATOM 0 HG3 MET A 658 8.040 0.337 0.480 1.00 24.44 H new ATOM 0 HE1 MET A 658 7.860 -0.093 4.319 1.00 13.24 H new ATOM 0 HE2 MET A 658 6.827 -0.116 2.871 1.00 13.24 H new ATOM 0 HE3 MET A 658 7.303 -1.644 3.649 1.00 13.24 H new ATOM 349 N LEU A 659 4.632 -3.043 -0.336 1.00 62.41 N ATOM 350 CA LEU A 659 3.698 -4.164 -0.306 1.00 71.43 C ATOM 351 C LEU A 659 3.492 -4.739 -1.703 1.00 74.31 C ATOM 352 O LEU A 659 3.606 -5.946 -1.911 1.00 42.35 O ATOM 353 CB LEU A 659 2.357 -3.720 0.279 1.00 33.31 C ATOM 354 CG LEU A 659 2.337 -3.447 1.783 1.00 53.31 C ATOM 355 CD1 LEU A 659 0.920 -3.166 2.257 1.00 43.53 C ATOM 356 CD2 LEU A 659 2.933 -4.621 2.546 1.00 4.01 C ATOM 0 H LEU A 659 4.269 -2.181 0.071 1.00 62.41 H new ATOM 0 HA LEU A 659 4.123 -4.943 0.327 1.00 71.43 H new ATOM 0 HB2 LEU A 659 2.040 -2.815 -0.238 1.00 33.31 H new ATOM 0 HB3 LEU A 659 1.616 -4.488 0.060 1.00 33.31 H new ATOM 0 HG LEU A 659 2.945 -2.564 1.980 1.00 53.31 H new ATOM 0 HD11 LEU A 659 0.927 -2.974 3.330 1.00 43.53 H new ATOM 0 HD12 LEU A 659 0.528 -2.293 1.735 1.00 43.53 H new ATOM 0 HD13 LEU A 659 0.288 -4.029 2.047 1.00 43.53 H new ATOM 0 HD21 LEU A 659 2.911 -4.409 3.615 1.00 4.01 H new ATOM 0 HD22 LEU A 659 2.352 -5.520 2.342 1.00 4.01 H new ATOM 0 HD23 LEU A 659 3.964 -4.776 2.228 1.00 4.01 H new ATOM 368 N GLY A 660 3.191 -3.865 -2.659 1.00 74.11 N ATOM 369 CA GLY A 660 2.976 -4.304 -4.025 1.00 64.45 C ATOM 370 C GLY A 660 4.203 -4.968 -4.620 1.00 24.33 C ATOM 371 O GLY A 660 4.123 -6.075 -5.150 1.00 22.11 O ATOM 0 H GLY A 660 3.092 -2.861 -2.511 1.00 74.11 H new ATOM 0 HA2 GLY A 660 2.140 -5.002 -4.052 1.00 64.45 H new ATOM 0 HA3 GLY A 660 2.696 -3.448 -4.639 1.00 64.45 H new ATOM 375 N GLY A 661 5.342 -4.286 -4.535 1.00 71.13 N ATOM 376 CA GLY A 661 6.574 -4.831 -5.076 1.00 41.42 C ATOM 377 C GLY A 661 7.026 -6.080 -4.345 1.00 24.12 C ATOM 378 O GLY A 661 7.612 -6.982 -4.944 1.00 60.41 O ATOM 0 H GLY A 661 5.433 -3.367 -4.102 1.00 71.13 H new ATOM 0 HA2 GLY A 661 6.432 -5.063 -6.132 1.00 41.42 H new ATOM 0 HA3 GLY A 661 7.358 -4.076 -5.018 1.00 41.42 H new ATOM 382 N THR A 662 6.754 -6.134 -3.046 1.00 14.21 N ATOM 383 CA THR A 662 7.138 -7.280 -2.231 1.00 35.31 C ATOM 384 C THR A 662 6.253 -8.485 -2.525 1.00 51.14 C ATOM 385 O THR A 662 6.747 -9.578 -2.805 1.00 74.43 O ATOM 386 CB THR A 662 7.058 -6.953 -0.728 1.00 32.31 C ATOM 387 OG1 THR A 662 8.031 -5.958 -0.390 1.00 3.31 O ATOM 388 CG2 THR A 662 7.291 -8.201 0.111 1.00 4.22 C ATOM 0 H THR A 662 6.269 -5.397 -2.535 1.00 14.21 H new ATOM 0 HA THR A 662 8.170 -7.519 -2.489 1.00 35.31 H new ATOM 0 HB THR A 662 6.059 -6.572 -0.515 1.00 32.31 H new ATOM 0 HG1 THR A 662 7.695 -5.073 -0.644 1.00 3.31 H new ATOM 0 HG21 THR A 662 7.230 -7.945 1.169 1.00 4.22 H new ATOM 0 HG22 THR A 662 6.532 -8.946 -0.127 1.00 4.22 H new ATOM 0 HG23 THR A 662 8.279 -8.607 -0.107 1.00 4.22 H new ATOM 396 N PHE A 663 4.942 -8.281 -2.460 1.00 22.42 N ATOM 397 CA PHE A 663 3.987 -9.352 -2.719 1.00 4.00 C ATOM 398 C PHE A 663 4.215 -9.961 -4.100 1.00 43.42 C ATOM 399 O PHE A 663 4.401 -11.172 -4.234 1.00 2.14 O ATOM 400 CB PHE A 663 2.555 -8.825 -2.613 1.00 24.02 C ATOM 401 CG PHE A 663 1.579 -9.841 -2.092 1.00 60.13 C ATOM 402 CD1 PHE A 663 1.452 -11.077 -2.706 1.00 61.01 C ATOM 403 CD2 PHE A 663 0.789 -9.561 -0.989 1.00 71.10 C ATOM 404 CE1 PHE A 663 0.554 -12.013 -2.230 1.00 13.11 C ATOM 405 CE2 PHE A 663 -0.110 -10.494 -0.508 1.00 43.02 C ATOM 406 CZ PHE A 663 -0.227 -11.722 -1.128 1.00 43.33 C ATOM 0 H PHE A 663 4.516 -7.383 -2.230 1.00 22.42 H new ATOM 0 HA PHE A 663 4.137 -10.128 -1.968 1.00 4.00 H new ATOM 0 HB2 PHE A 663 2.545 -7.954 -1.958 1.00 24.02 H new ATOM 0 HB3 PHE A 663 2.227 -8.488 -3.596 1.00 24.02 H new ATOM 0 HD1 PHE A 663 2.062 -11.311 -3.566 1.00 61.01 H new ATOM 0 HD2 PHE A 663 0.877 -8.602 -0.499 1.00 71.10 H new ATOM 0 HE1 PHE A 663 0.463 -12.972 -2.719 1.00 13.11 H new ATOM 0 HE2 PHE A 663 -0.721 -10.263 0.352 1.00 43.02 H new ATOM 0 HZ PHE A 663 -0.927 -12.453 -0.753 1.00 43.33 H new ATOM 416 N LEU A 664 4.199 -9.115 -5.124 1.00 12.30 N ATOM 417 CA LEU A 664 4.404 -9.568 -6.495 1.00 11.34 C ATOM 418 C LEU A 664 5.737 -10.295 -6.635 1.00 65.11 C ATOM 419 O LEU A 664 5.807 -11.378 -7.217 1.00 14.23 O ATOM 420 CB LEU A 664 4.353 -8.381 -7.458 1.00 42.33 C ATOM 421 CG LEU A 664 3.004 -7.670 -7.578 1.00 51.22 C ATOM 422 CD1 LEU A 664 2.990 -6.754 -8.792 1.00 14.41 C ATOM 423 CD2 LEU A 664 1.873 -8.685 -7.660 1.00 65.12 C ATOM 0 H LEU A 664 4.046 -8.111 -5.031 1.00 12.30 H new ATOM 0 HA LEU A 664 3.604 -10.265 -6.745 1.00 11.34 H new ATOM 0 HB2 LEU A 664 5.099 -7.651 -7.143 1.00 42.33 H new ATOM 0 HB3 LEU A 664 4.647 -8.730 -8.448 1.00 42.33 H new ATOM 0 HG LEU A 664 2.855 -7.060 -6.687 1.00 51.22 H new ATOM 0 HD11 LEU A 664 2.023 -6.257 -8.861 1.00 14.41 H new ATOM 0 HD12 LEU A 664 3.776 -6.006 -8.692 1.00 14.41 H new ATOM 0 HD13 LEU A 664 3.161 -7.342 -9.694 1.00 14.41 H new ATOM 0 HD21 LEU A 664 0.920 -8.162 -7.745 1.00 65.12 H new ATOM 0 HD22 LEU A 664 2.017 -9.321 -8.534 1.00 65.12 H new ATOM 0 HD23 LEU A 664 1.870 -9.300 -6.760 1.00 65.12 H new ATOM 435 N TYR A 665 6.792 -9.694 -6.097 1.00 4.24 N ATOM 436 CA TYR A 665 8.124 -10.283 -6.162 1.00 42.40 C ATOM 437 C TYR A 665 8.150 -11.646 -5.476 1.00 60.41 C ATOM 438 O TYR A 665 8.637 -12.627 -6.038 1.00 22.04 O ATOM 439 CB TYR A 665 9.149 -9.352 -5.512 1.00 61.02 C ATOM 440 CG TYR A 665 10.450 -10.038 -5.158 1.00 20.12 C ATOM 441 CD1 TYR A 665 10.624 -10.644 -3.920 1.00 0.43 C ATOM 442 CD2 TYR A 665 11.505 -10.077 -6.061 1.00 73.44 C ATOM 443 CE1 TYR A 665 11.810 -11.270 -3.592 1.00 12.30 C ATOM 444 CE2 TYR A 665 12.695 -10.702 -5.741 1.00 44.32 C ATOM 445 CZ TYR A 665 12.842 -11.297 -4.505 1.00 63.23 C ATOM 446 OH TYR A 665 14.026 -11.920 -4.183 1.00 13.00 O ATOM 0 H TYR A 665 6.751 -8.798 -5.611 1.00 4.24 H new ATOM 0 HA TYR A 665 8.383 -10.420 -7.212 1.00 42.40 H new ATOM 0 HB2 TYR A 665 9.357 -8.524 -6.190 1.00 61.02 H new ATOM 0 HB3 TYR A 665 8.716 -8.923 -4.608 1.00 61.02 H new ATOM 0 HD1 TYR A 665 9.818 -10.625 -3.202 1.00 0.43 H new ATOM 0 HD2 TYR A 665 11.393 -9.611 -7.029 1.00 73.44 H new ATOM 0 HE1 TYR A 665 11.928 -11.736 -2.625 1.00 12.30 H new ATOM 0 HE2 TYR A 665 13.506 -10.725 -6.454 1.00 44.32 H new ATOM 0 HH TYR A 665 14.648 -11.850 -4.937 1.00 13.00 H new ATOM 456 N TRP A 666 7.624 -11.697 -4.257 1.00 44.24 N ATOM 457 CA TRP A 666 7.587 -12.939 -3.494 1.00 12.53 C ATOM 458 C TRP A 666 6.882 -14.040 -4.279 1.00 13.14 C ATOM 459 O TRP A 666 7.418 -15.136 -4.446 1.00 33.01 O ATOM 460 CB TRP A 666 6.879 -12.717 -2.155 1.00 45.14 C ATOM 461 CG TRP A 666 7.458 -13.527 -1.036 1.00 50.11 C ATOM 462 CD1 TRP A 666 8.474 -13.161 -0.199 1.00 23.54 C ATOM 463 CD2 TRP A 666 7.057 -14.840 -0.631 1.00 60.34 C ATOM 464 NE1 TRP A 666 8.729 -14.167 0.701 1.00 3.24 N ATOM 465 CE2 TRP A 666 7.873 -15.208 0.457 1.00 72.23 C ATOM 466 CE3 TRP A 666 6.088 -15.741 -1.081 1.00 62.41 C ATOM 467 CZ2 TRP A 666 7.747 -16.438 1.098 1.00 14.14 C ATOM 468 CZ3 TRP A 666 5.965 -16.961 -0.443 1.00 63.33 C ATOM 469 CH2 TRP A 666 6.790 -17.299 0.638 1.00 43.22 C ATOM 0 H TRP A 666 7.218 -10.894 -3.777 1.00 44.24 H new ATOM 0 HA TRP A 666 8.614 -13.253 -3.307 1.00 12.53 H new ATOM 0 HB2 TRP A 666 6.933 -11.660 -1.895 1.00 45.14 H new ATOM 0 HB3 TRP A 666 5.823 -12.965 -2.265 1.00 45.14 H new ATOM 0 HD1 TRP A 666 9.000 -12.218 -0.239 1.00 23.54 H new ATOM 0 HE1 TRP A 666 9.440 -14.143 1.432 1.00 3.24 H new ATOM 0 HE3 TRP A 666 5.447 -15.488 -1.912 1.00 62.41 H new ATOM 0 HZ2 TRP A 666 8.383 -16.702 1.930 1.00 14.14 H new ATOM 0 HZ3 TRP A 666 5.221 -17.666 -0.783 1.00 63.33 H new ATOM 0 HH2 TRP A 666 6.667 -18.259 1.117 1.00 43.22 H new ATOM 480 N ARG A 667 5.680 -13.742 -4.760 1.00 15.54 N ATOM 481 CA ARG A 667 4.902 -14.708 -5.526 1.00 62.12 C ATOM 482 C ARG A 667 5.726 -15.278 -6.676 1.00 63.42 C ATOM 483 O ARG A 667 5.858 -16.493 -6.817 1.00 3.00 O ATOM 484 CB ARG A 667 3.630 -14.055 -6.071 1.00 33.44 C ATOM 485 CG ARG A 667 2.591 -13.761 -5.001 1.00 22.52 C ATOM 486 CD ARG A 667 1.221 -13.507 -5.610 1.00 32.41 C ATOM 487 NE ARG A 667 1.293 -12.619 -6.768 1.00 62.43 N ATOM 488 CZ ARG A 667 0.288 -12.435 -7.617 1.00 30.03 C ATOM 489 NH1 ARG A 667 -0.860 -13.074 -7.438 1.00 24.43 N ATOM 490 NH2 ARG A 667 0.430 -11.611 -8.646 1.00 41.12 N ATOM 0 H ARG A 667 5.223 -12.839 -4.633 1.00 15.54 H new ATOM 0 HA ARG A 667 4.625 -15.524 -4.859 1.00 62.12 H new ATOM 0 HB2 ARG A 667 3.896 -13.125 -6.573 1.00 33.44 H new ATOM 0 HB3 ARG A 667 3.190 -14.709 -6.824 1.00 33.44 H new ATOM 0 HG2 ARG A 667 2.533 -14.601 -4.309 1.00 22.52 H new ATOM 0 HG3 ARG A 667 2.900 -12.891 -4.422 1.00 22.52 H new ATOM 0 HD2 ARG A 667 0.775 -14.456 -5.908 1.00 32.41 H new ATOM 0 HD3 ARG A 667 0.565 -13.069 -4.857 1.00 32.41 H new ATOM 0 HE ARG A 667 2.163 -12.113 -6.934 1.00 62.43 H new ATOM 0 HH11 ARG A 667 -0.973 -13.708 -6.647 1.00 24.43 H new ATOM 0 HH12 ARG A 667 -1.630 -12.931 -8.091 1.00 24.43 H new ATOM 0 HH21 ARG A 667 1.312 -11.118 -8.786 1.00 41.12 H new ATOM 0 HH22 ARG A 667 -0.342 -11.471 -9.297 1.00 41.12 H new ATOM 504 N GLY A 668 6.279 -14.391 -7.499 1.00 75.13 N ATOM 505 CA GLY A 668 7.083 -14.824 -8.626 1.00 43.24 C ATOM 506 C GLY A 668 8.305 -15.613 -8.198 1.00 72.40 C ATOM 507 O GLY A 668 8.709 -16.561 -8.873 1.00 31.22 O ATOM 0 H GLY A 668 6.184 -13.380 -7.404 1.00 75.13 H new ATOM 0 HA2 GLY A 668 6.473 -15.437 -9.289 1.00 43.24 H new ATOM 0 HA3 GLY A 668 7.400 -13.952 -9.199 1.00 43.24 H new ATOM 511 N ARG A 669 8.897 -15.222 -7.074 1.00 24.55 N ATOM 512 CA ARG A 669 10.082 -15.896 -6.560 1.00 15.42 C ATOM 513 C ARG A 669 9.764 -17.340 -6.181 1.00 25.31 C ATOM 514 O ARG A 669 10.246 -18.279 -6.816 1.00 4.22 O ATOM 515 CB ARG A 669 10.632 -15.149 -5.343 1.00 30.13 C ATOM 516 CG ARG A 669 11.947 -14.435 -5.611 1.00 13.20 C ATOM 517 CD ARG A 669 12.972 -14.732 -4.527 1.00 20.42 C ATOM 518 NE ARG A 669 13.250 -16.161 -4.413 1.00 1.34 N ATOM 519 CZ ARG A 669 14.349 -16.653 -3.854 1.00 71.44 C ATOM 520 NH1 ARG A 669 15.269 -15.836 -3.361 1.00 60.43 N ATOM 521 NH2 ARG A 669 14.531 -17.966 -3.787 1.00 40.32 N ATOM 0 H ARG A 669 8.575 -14.441 -6.502 1.00 24.55 H new ATOM 0 HA ARG A 669 10.836 -15.901 -7.347 1.00 15.42 H new ATOM 0 HB2 ARG A 669 9.893 -14.420 -5.010 1.00 30.13 H new ATOM 0 HB3 ARG A 669 10.772 -15.856 -4.526 1.00 30.13 H new ATOM 0 HG2 ARG A 669 12.340 -14.744 -6.580 1.00 13.20 H new ATOM 0 HG3 ARG A 669 11.774 -13.360 -5.666 1.00 13.20 H new ATOM 0 HD2 ARG A 669 13.897 -14.199 -4.747 1.00 20.42 H new ATOM 0 HD3 ARG A 669 12.608 -14.356 -3.571 1.00 20.42 H new ATOM 0 HE ARG A 669 12.562 -16.817 -4.783 1.00 1.34 H new ATOM 0 HH11 ARG A 669 15.134 -14.826 -3.411 1.00 60.43 H new ATOM 0 HH12 ARG A 669 16.112 -16.217 -2.932 1.00 60.43 H new ATOM 0 HH21 ARG A 669 13.826 -18.599 -4.165 1.00 40.32 H new ATOM 0 HH22 ARG A 669 15.376 -18.342 -3.357 1.00 40.32 H new ATOM 535 N ARG A 670 8.951 -17.510 -5.144 1.00 72.33 N ATOM 536 CA ARG A 670 8.570 -18.838 -4.680 1.00 65.24 C ATOM 537 C ARG A 670 7.644 -19.519 -5.684 1.00 3.11 C ATOM 538 O ARG A 670 8.018 -20.505 -6.320 1.00 51.25 O ATOM 539 CB ARG A 670 7.885 -18.749 -3.317 1.00 54.32 C ATOM 540 CG ARG A 670 8.855 -18.602 -2.156 1.00 12.41 C ATOM 541 CD ARG A 670 9.395 -17.184 -2.058 1.00 74.54 C ATOM 542 NE ARG A 670 10.306 -17.023 -0.927 1.00 31.01 N ATOM 543 CZ ARG A 670 11.545 -17.501 -0.907 1.00 63.44 C ATOM 544 NH1 ARG A 670 12.019 -18.168 -1.951 1.00 22.55 N ATOM 545 NH2 ARG A 670 12.313 -17.312 0.159 1.00 42.04 N ATOM 0 H ARG A 670 8.543 -16.744 -4.609 1.00 72.33 H new ATOM 0 HA ARG A 670 9.476 -19.436 -4.584 1.00 65.24 H new ATOM 0 HB2 ARG A 670 7.202 -17.900 -3.318 1.00 54.32 H new ATOM 0 HB3 ARG A 670 7.281 -19.644 -3.164 1.00 54.32 H new ATOM 0 HG2 ARG A 670 8.353 -18.867 -1.225 1.00 12.41 H new ATOM 0 HG3 ARG A 670 9.683 -19.300 -2.281 1.00 12.41 H new ATOM 0 HD2 ARG A 670 9.915 -16.929 -2.982 1.00 74.54 H new ATOM 0 HD3 ARG A 670 8.564 -16.486 -1.957 1.00 74.54 H new ATOM 0 HE ARG A 670 9.972 -16.516 -0.108 1.00 31.01 H new ATOM 0 HH11 ARG A 670 11.432 -18.315 -2.772 1.00 22.55 H new ATOM 0 HH12 ARG A 670 12.971 -18.534 -1.933 1.00 22.55 H new ATOM 0 HH21 ARG A 670 11.952 -16.799 0.963 1.00 42.04 H new ATOM 0 HH22 ARG A 670 13.264 -17.679 0.174 1.00 42.04 H new ATOM 559 N HIS A 671 6.434 -18.987 -5.820 1.00 1.21 N ATOM 560 CA HIS A 671 5.454 -19.543 -6.745 1.00 43.43 C ATOM 561 C HIS A 671 5.284 -21.043 -6.522 1.00 12.33 C ATOM 562 O HIS A 671 5.386 -21.836 -7.457 1.00 43.32 O ATOM 563 CB HIS A 671 5.876 -19.276 -8.190 1.00 72.32 C ATOM 564 CG HIS A 671 4.813 -19.596 -9.194 1.00 45.14 C ATOM 565 ND1 HIS A 671 4.964 -20.559 -10.171 1.00 71.31 N ATOM 566 CD2 HIS A 671 3.575 -19.078 -9.370 1.00 1.24 C ATOM 567 CE1 HIS A 671 3.868 -20.616 -10.905 1.00 13.53 C ATOM 568 NE2 HIS A 671 3.008 -19.728 -10.439 1.00 54.10 N ATOM 0 H HIS A 671 6.109 -18.171 -5.301 1.00 1.21 H new ATOM 0 HA HIS A 671 4.498 -19.055 -6.557 1.00 43.43 H new ATOM 0 HB2 HIS A 671 6.155 -18.227 -8.290 1.00 72.32 H new ATOM 0 HB3 HIS A 671 6.765 -19.865 -8.415 1.00 72.32 H new ATOM 0 HD2 HIS A 671 3.118 -18.298 -8.779 1.00 1.24 H new ATOM 0 HE1 HIS A 671 3.703 -21.276 -11.744 1.00 13.53 H new ATOM 0 HE2 HIS A 671 2.075 -19.553 -10.812 1.00 54.10 H new ATOM 576 N HIS A 672 5.026 -21.424 -5.275 1.00 53.23 N ATOM 577 CA HIS A 672 4.843 -22.829 -4.927 1.00 50.05 C ATOM 578 C HIS A 672 3.473 -23.059 -4.295 1.00 25.10 C ATOM 579 O HIS A 672 2.739 -22.109 -4.019 1.00 51.44 O ATOM 580 CB HIS A 672 5.943 -23.288 -3.969 1.00 22.53 C ATOM 581 CG HIS A 672 6.784 -24.402 -4.511 1.00 23.31 C ATOM 582 ND1 HIS A 672 8.139 -24.281 -4.736 1.00 71.43 N ATOM 583 CD2 HIS A 672 6.456 -25.663 -4.874 1.00 1.51 C ATOM 584 CE1 HIS A 672 8.608 -25.420 -5.214 1.00 1.31 C ATOM 585 NE2 HIS A 672 7.606 -26.276 -5.307 1.00 21.15 N ATOM 0 H HIS A 672 4.939 -20.780 -4.489 1.00 53.23 H new ATOM 0 HA HIS A 672 4.904 -23.415 -5.844 1.00 50.05 H new ATOM 0 HB2 HIS A 672 6.586 -22.440 -3.734 1.00 22.53 H new ATOM 0 HB3 HIS A 672 5.487 -23.611 -3.033 1.00 22.53 H new ATOM 0 HD2 HIS A 672 5.472 -26.106 -4.831 1.00 1.51 H new ATOM 0 HE1 HIS A 672 9.635 -25.618 -5.483 1.00 1.31 H new ATOM 0 HE2 HIS A 672 7.675 -27.236 -5.645 1.00 21.15 H new ATOM 593 N HIS A 673 3.135 -24.324 -4.069 1.00 63.45 N ATOM 594 CA HIS A 673 1.854 -24.678 -3.470 1.00 61.15 C ATOM 595 C HIS A 673 1.632 -23.913 -2.170 1.00 31.33 C ATOM 596 O HIS A 673 0.626 -23.221 -2.008 1.00 63.13 O ATOM 597 CB HIS A 673 1.788 -26.183 -3.207 1.00 1.31 C ATOM 598 CG HIS A 673 1.653 -27.004 -4.453 1.00 22.31 C ATOM 599 ND1 HIS A 673 2.111 -26.584 -5.684 1.00 52.21 N ATOM 600 CD2 HIS A 673 1.110 -28.227 -4.653 1.00 0.40 C ATOM 601 CE1 HIS A 673 1.853 -27.513 -6.588 1.00 32.13 C ATOM 602 NE2 HIS A 673 1.246 -28.520 -5.988 1.00 52.54 N ATOM 0 H HIS A 673 3.731 -25.121 -4.292 1.00 63.45 H new ATOM 0 HA HIS A 673 1.066 -24.404 -4.171 1.00 61.15 H new ATOM 0 HB2 HIS A 673 2.688 -26.490 -2.675 1.00 1.31 H new ATOM 0 HB3 HIS A 673 0.943 -26.392 -2.551 1.00 1.31 H new ATOM 0 HD2 HIS A 673 0.654 -28.856 -3.902 1.00 0.40 H new ATOM 0 HE1 HIS A 673 2.097 -27.458 -7.639 1.00 32.13 H new ATOM 0 HE2 HIS A 673 0.929 -29.377 -6.442 1.00 52.54 H new ATOM 610 N HIS A 674 2.578 -24.041 -1.244 1.00 63.41 N ATOM 611 CA HIS A 674 2.486 -23.361 0.043 1.00 24.21 C ATOM 612 C HIS A 674 1.191 -23.731 0.761 1.00 22.11 C ATOM 613 O HIS A 674 0.586 -22.899 1.439 1.00 41.42 O ATOM 614 CB HIS A 674 2.561 -21.846 -0.151 1.00 1.34 C ATOM 615 CG HIS A 674 3.193 -21.126 1.000 1.00 34.22 C ATOM 616 ND1 HIS A 674 2.494 -20.749 2.128 1.00 52.13 N ATOM 617 CD2 HIS A 674 4.468 -20.715 1.195 1.00 50.15 C ATOM 618 CE1 HIS A 674 3.312 -20.136 2.965 1.00 23.12 C ATOM 619 NE2 HIS A 674 4.515 -20.103 2.423 1.00 21.31 N ATOM 0 H HIS A 674 3.417 -24.609 -1.361 1.00 63.41 H new ATOM 0 HA HIS A 674 3.326 -23.683 0.658 1.00 24.21 H new ATOM 0 HB2 HIS A 674 3.126 -21.632 -1.058 1.00 1.34 H new ATOM 0 HB3 HIS A 674 1.554 -21.457 -0.304 1.00 1.34 H new ATOM 0 HD1 HIS A 674 1.501 -20.917 2.290 1.00 52.13 H new ATOM 0 HD2 HIS A 674 5.294 -20.844 0.512 1.00 50.15 H new ATOM 0 HE1 HIS A 674 3.042 -19.731 3.929 1.00 23.12 H new ATOM 627 N HIS A 675 0.772 -24.983 0.608 1.00 33.11 N ATOM 628 CA HIS A 675 -0.451 -25.463 1.242 1.00 21.24 C ATOM 629 C HIS A 675 -0.330 -25.415 2.762 1.00 21.22 C ATOM 630 O HIS A 675 0.774 -25.446 3.309 1.00 41.40 O ATOM 631 CB HIS A 675 -0.760 -26.889 0.788 1.00 52.23 C ATOM 632 CG HIS A 675 0.178 -27.913 1.350 1.00 75.21 C ATOM 633 ND1 HIS A 675 -0.128 -28.694 2.445 1.00 34.54 N ATOM 634 CD2 HIS A 675 1.421 -28.283 0.961 1.00 52.53 C ATOM 635 CE1 HIS A 675 0.886 -29.498 2.707 1.00 72.03 C ATOM 636 NE2 HIS A 675 1.838 -29.270 1.820 1.00 74.24 N ATOM 0 H HIS A 675 1.261 -25.683 0.051 1.00 33.11 H new ATOM 0 HA HIS A 675 -1.269 -24.809 0.940 1.00 21.24 H new ATOM 0 HB2 HIS A 675 -1.779 -27.142 1.081 1.00 52.23 H new ATOM 0 HB3 HIS A 675 -0.721 -26.931 -0.300 1.00 52.23 H new ATOM 0 HD2 HIS A 675 1.980 -27.878 0.131 1.00 52.53 H new ATOM 0 HE1 HIS A 675 0.930 -30.219 3.510 1.00 72.03 H new ATOM 0 HE2 HIS A 675 2.737 -29.749 1.780 1.00 74.24 H new ATOM 644 N HIS A 676 -1.471 -25.336 3.440 1.00 54.11 N ATOM 645 CA HIS A 676 -1.492 -25.284 4.897 1.00 72.11 C ATOM 646 C HIS A 676 -1.972 -26.609 5.482 1.00 74.53 C ATOM 647 O HIS A 676 -2.723 -27.322 4.820 1.00 61.11 O ATOM 648 CB HIS A 676 -2.395 -24.145 5.375 1.00 43.14 C ATOM 649 CG HIS A 676 -1.656 -23.053 6.085 1.00 45.02 C ATOM 650 ND1 HIS A 676 -0.549 -22.425 5.555 1.00 45.32 N ATOM 651 CD2 HIS A 676 -1.874 -22.476 7.290 1.00 62.13 C ATOM 652 CE1 HIS A 676 -0.117 -21.510 6.405 1.00 64.31 C ATOM 653 NE2 HIS A 676 -0.903 -21.521 7.465 1.00 4.10 N ATOM 0 H HIS A 676 -2.392 -25.307 3.004 1.00 54.11 H new ATOM 0 HA HIS A 676 -0.475 -25.102 5.244 1.00 72.11 H new ATOM 0 HB2 HIS A 676 -2.917 -23.721 4.517 1.00 43.14 H new ATOM 0 HB3 HIS A 676 -3.156 -24.551 6.042 1.00 43.14 H new ATOM 0 HD2 HIS A 676 -2.664 -22.721 7.984 1.00 62.13 H new ATOM 0 HE1 HIS A 676 0.735 -20.863 6.257 1.00 64.31 H new ATOM 0 HE2 HIS A 676 -0.805 -20.918 8.282 1.00 4.10 H new TER 661 HIS A 676 ATOM 662 N MET B 637 -9.932 32.947 7.566 1.00 54.33 N ATOM 663 CA MET B 637 -10.250 31.888 6.615 1.00 2.55 C ATOM 664 C MET B 637 -9.035 31.542 5.761 1.00 44.04 C ATOM 665 O MET B 637 -8.242 32.415 5.409 1.00 52.12 O ATOM 666 CB MET B 637 -11.415 32.313 5.717 1.00 70.23 C ATOM 667 CG MET B 637 -11.175 33.628 4.994 1.00 23.12 C ATOM 668 SD MET B 637 -11.182 33.446 3.200 1.00 61.30 S ATOM 669 CE MET B 637 -11.173 35.162 2.685 1.00 41.20 C ATOM 0 HA MET B 637 -10.540 31.002 7.179 1.00 2.55 H new ATOM 0 HB2 MET B 637 -11.600 31.531 4.980 1.00 70.23 H new ATOM 0 HB3 MET B 637 -12.317 32.400 6.323 1.00 70.23 H new ATOM 0 HG2 MET B 637 -11.943 34.344 5.286 1.00 23.12 H new ATOM 0 HG3 MET B 637 -10.217 34.042 5.310 1.00 23.12 H new ATOM 0 HE1 MET B 637 -11.176 35.215 1.596 1.00 41.20 H new ATOM 0 HE2 MET B 637 -12.058 35.664 3.075 1.00 41.20 H new ATOM 0 HE3 MET B 637 -10.279 35.653 3.070 1.00 41.20 H new ATOM 679 N GLY B 638 -8.895 30.261 5.430 1.00 31.23 N ATOM 680 CA GLY B 638 -7.773 29.823 4.621 1.00 0.10 C ATOM 681 C GLY B 638 -7.655 28.313 4.564 1.00 64.52 C ATOM 682 O GLY B 638 -6.957 27.708 5.378 1.00 52.23 O ATOM 0 H GLY B 638 -9.538 29.520 5.708 1.00 31.23 H new ATOM 0 HA2 GLY B 638 -7.883 30.214 3.610 1.00 0.10 H new ATOM 0 HA3 GLY B 638 -6.852 30.242 5.026 1.00 0.10 H new ATOM 686 N ARG B 639 -8.338 27.703 3.601 1.00 12.12 N ATOM 687 CA ARG B 639 -8.308 26.254 3.443 1.00 1.44 C ATOM 688 C ARG B 639 -8.592 25.859 1.997 1.00 72.21 C ATOM 689 O ARG B 639 -9.747 25.700 1.600 1.00 24.34 O ATOM 690 CB ARG B 639 -9.330 25.598 4.373 1.00 43.31 C ATOM 691 CG ARG B 639 -8.926 25.621 5.838 1.00 64.33 C ATOM 692 CD ARG B 639 -9.504 26.830 6.556 1.00 52.33 C ATOM 693 NE ARG B 639 -10.369 26.443 7.668 1.00 65.14 N ATOM 694 CZ ARG B 639 -11.209 27.277 8.270 1.00 32.02 C ATOM 695 NH1 ARG B 639 -11.297 28.537 7.871 1.00 23.44 N ATOM 696 NH2 ARG B 639 -11.963 26.850 9.275 1.00 42.21 N ATOM 0 H ARG B 639 -8.919 28.190 2.918 1.00 12.12 H new ATOM 0 HA ARG B 639 -7.310 25.905 3.707 1.00 1.44 H new ATOM 0 HB2 ARG B 639 -10.288 26.106 4.261 1.00 43.31 H new ATOM 0 HB3 ARG B 639 -9.479 24.564 4.063 1.00 43.31 H new ATOM 0 HG2 ARG B 639 -9.269 24.708 6.326 1.00 64.33 H new ATOM 0 HG3 ARG B 639 -7.839 25.635 5.917 1.00 64.33 H new ATOM 0 HD2 ARG B 639 -8.691 27.453 6.929 1.00 52.33 H new ATOM 0 HD3 ARG B 639 -10.071 27.435 5.849 1.00 52.33 H new ATOM 0 HE ARG B 639 -10.325 25.480 8.000 1.00 65.14 H new ATOM 0 HH11 ARG B 639 -10.719 28.869 7.099 1.00 23.44 H new ATOM 0 HH12 ARG B 639 -11.943 29.175 8.335 1.00 23.44 H new ATOM 0 HH21 ARG B 639 -11.898 25.881 9.586 1.00 42.21 H new ATOM 0 HH22 ARG B 639 -12.608 27.491 9.737 1.00 42.21 H new ATOM 710 N THR B 640 -7.530 25.701 1.213 1.00 41.30 N ATOM 711 CA THR B 640 -7.665 25.326 -0.189 1.00 71.32 C ATOM 712 C THR B 640 -6.751 24.156 -0.535 1.00 62.42 C ATOM 713 O THR B 640 -7.188 23.164 -1.118 1.00 42.33 O ATOM 714 CB THR B 640 -7.341 26.510 -1.121 1.00 52.54 C ATOM 715 OG1 THR B 640 -8.183 27.624 -0.806 1.00 52.13 O ATOM 716 CG2 THR B 640 -7.532 26.118 -2.579 1.00 13.22 C ATOM 0 H THR B 640 -6.567 25.827 1.525 1.00 41.30 H new ATOM 0 HA THR B 640 -8.703 25.029 -0.339 1.00 71.32 H new ATOM 0 HB THR B 640 -6.298 26.789 -0.971 1.00 52.54 H new ATOM 0 HG1 THR B 640 -7.970 28.373 -1.401 1.00 52.13 H new ATOM 0 HG21 THR B 640 -7.298 26.969 -3.218 1.00 13.22 H new ATOM 0 HG22 THR B 640 -6.869 25.288 -2.822 1.00 13.22 H new ATOM 0 HG23 THR B 640 -8.567 25.816 -2.742 1.00 13.22 H new ATOM 724 N HIS B 641 -5.477 24.279 -0.174 1.00 15.03 N ATOM 725 CA HIS B 641 -4.500 23.231 -0.445 1.00 62.23 C ATOM 726 C HIS B 641 -4.848 21.954 0.313 1.00 42.23 C ATOM 727 O HIS B 641 -4.286 20.889 0.050 1.00 21.25 O ATOM 728 CB HIS B 641 -3.097 23.700 -0.061 1.00 42.11 C ATOM 729 CG HIS B 641 -2.859 23.729 1.418 1.00 62.32 C ATOM 730 ND1 HIS B 641 -2.574 22.600 2.156 1.00 40.21 N ATOM 731 CD2 HIS B 641 -2.864 24.759 2.295 1.00 11.41 C ATOM 732 CE1 HIS B 641 -2.415 22.935 3.424 1.00 42.13 C ATOM 733 NE2 HIS B 641 -2.586 24.240 3.535 1.00 43.24 N ATOM 0 H HIS B 641 -5.098 25.095 0.307 1.00 15.03 H new ATOM 0 HA HIS B 641 -4.523 23.016 -1.513 1.00 62.23 H new ATOM 0 HB2 HIS B 641 -2.363 23.042 -0.526 1.00 42.11 H new ATOM 0 HB3 HIS B 641 -2.933 24.698 -0.467 1.00 42.11 H new ATOM 0 HD2 HIS B 641 -3.052 25.797 2.063 1.00 11.41 H new ATOM 0 HE1 HIS B 641 -2.184 22.257 4.232 1.00 42.13 H new ATOM 0 HE2 HIS B 641 -2.522 24.775 4.401 1.00 43.24 H new ATOM 741 N LEU B 642 -5.778 22.066 1.256 1.00 62.54 N ATOM 742 CA LEU B 642 -6.201 20.920 2.054 1.00 21.11 C ATOM 743 C LEU B 642 -7.010 19.940 1.211 1.00 55.25 C ATOM 744 O LEU B 642 -6.964 18.729 1.433 1.00 42.23 O ATOM 745 CB LEU B 642 -7.030 21.386 3.251 1.00 12.25 C ATOM 746 CG LEU B 642 -6.239 21.838 4.480 1.00 41.44 C ATOM 747 CD1 LEU B 642 -7.049 22.830 5.300 1.00 13.34 C ATOM 748 CD2 LEU B 642 -5.843 20.638 5.329 1.00 34.13 C ATOM 0 H LEU B 642 -6.253 22.939 1.486 1.00 62.54 H new ATOM 0 HA LEU B 642 -5.308 20.410 2.415 1.00 21.11 H new ATOM 0 HB2 LEU B 642 -7.665 22.211 2.929 1.00 12.25 H new ATOM 0 HB3 LEU B 642 -7.691 20.572 3.548 1.00 12.25 H new ATOM 0 HG LEU B 642 -5.330 22.335 4.142 1.00 41.44 H new ATOM 0 HD11 LEU B 642 -6.471 23.141 6.170 1.00 13.34 H new ATOM 0 HD12 LEU B 642 -7.282 23.702 4.689 1.00 13.34 H new ATOM 0 HD13 LEU B 642 -7.975 22.359 5.629 1.00 13.34 H new ATOM 0 HD21 LEU B 642 -5.281 20.977 6.199 1.00 34.13 H new ATOM 0 HD22 LEU B 642 -6.740 20.113 5.658 1.00 34.13 H new ATOM 0 HD23 LEU B 642 -5.224 19.963 4.738 1.00 34.13 H new ATOM 760 N THR B 643 -7.750 20.469 0.243 1.00 25.31 N ATOM 761 CA THR B 643 -8.569 19.641 -0.634 1.00 64.31 C ATOM 762 C THR B 643 -7.713 18.639 -1.400 1.00 42.24 C ATOM 763 O THR B 643 -7.944 17.432 -1.333 1.00 44.02 O ATOM 764 CB THR B 643 -9.359 20.498 -1.640 1.00 5.45 C ATOM 765 OG1 THR B 643 -9.810 21.703 -1.010 1.00 55.23 O ATOM 766 CG2 THR B 643 -10.552 19.728 -2.187 1.00 31.34 C ATOM 0 H THR B 643 -7.799 21.469 0.046 1.00 25.31 H new ATOM 0 HA THR B 643 -9.271 19.104 0.004 1.00 64.31 H new ATOM 0 HB THR B 643 -8.697 20.748 -2.469 1.00 5.45 H new ATOM 0 HG1 THR B 643 -9.111 22.387 -1.075 1.00 55.23 H new ATOM 0 HG21 THR B 643 -11.095 20.354 -2.896 1.00 31.34 H new ATOM 0 HG22 THR B 643 -10.203 18.827 -2.692 1.00 31.34 H new ATOM 0 HG23 THR B 643 -11.214 19.451 -1.366 1.00 31.34 H new ATOM 774 N MET B 644 -6.724 19.146 -2.127 1.00 24.42 N ATOM 775 CA MET B 644 -5.831 18.294 -2.906 1.00 1.13 C ATOM 776 C MET B 644 -5.048 17.354 -1.995 1.00 64.13 C ATOM 777 O MET B 644 -4.979 16.150 -2.242 1.00 10.32 O ATOM 778 CB MET B 644 -4.866 19.147 -3.730 1.00 21.20 C ATOM 779 CG MET B 644 -5.550 19.958 -4.819 1.00 61.45 C ATOM 780 SD MET B 644 -5.734 19.036 -6.359 1.00 15.44 S ATOM 781 CE MET B 644 -7.421 19.449 -6.800 1.00 35.22 C ATOM 0 H MET B 644 -6.520 20.143 -2.194 1.00 24.42 H new ATOM 0 HA MET B 644 -6.440 17.694 -3.582 1.00 1.13 H new ATOM 0 HB2 MET B 644 -4.334 19.825 -3.063 1.00 21.20 H new ATOM 0 HB3 MET B 644 -4.119 18.498 -4.187 1.00 21.20 H new ATOM 0 HG2 MET B 644 -6.533 20.273 -4.469 1.00 61.45 H new ATOM 0 HG3 MET B 644 -4.974 20.864 -5.009 1.00 61.45 H new ATOM 0 HE1 MET B 644 -7.685 18.953 -7.734 1.00 35.22 H new ATOM 0 HE2 MET B 644 -8.095 19.118 -6.010 1.00 35.22 H new ATOM 0 HE3 MET B 644 -7.511 20.528 -6.925 1.00 35.22 H new ATOM 791 N ALA B 645 -4.457 17.912 -0.943 1.00 24.00 N ATOM 792 CA ALA B 645 -3.680 17.123 0.004 1.00 52.54 C ATOM 793 C ALA B 645 -4.528 16.017 0.623 1.00 42.14 C ATOM 794 O ALA B 645 -4.068 14.886 0.784 1.00 54.53 O ATOM 795 CB ALA B 645 -3.104 18.019 1.090 1.00 51.03 C ATOM 0 H ALA B 645 -4.502 18.908 -0.726 1.00 24.00 H new ATOM 0 HA ALA B 645 -2.859 16.655 -0.539 1.00 52.54 H new ATOM 0 HB1 ALA B 645 -2.526 17.416 1.790 1.00 51.03 H new ATOM 0 HB2 ALA B 645 -2.456 18.770 0.637 1.00 51.03 H new ATOM 0 HB3 ALA B 645 -3.916 18.514 1.622 1.00 51.03 H new ATOM 801 N LEU B 646 -5.766 16.350 0.968 1.00 54.44 N ATOM 802 CA LEU B 646 -6.680 15.384 1.570 1.00 72.24 C ATOM 803 C LEU B 646 -6.936 14.215 0.625 1.00 31.15 C ATOM 804 O LEU B 646 -6.936 13.055 1.040 1.00 3.53 O ATOM 805 CB LEU B 646 -8.002 16.061 1.935 1.00 61.21 C ATOM 806 CG LEU B 646 -8.054 16.739 3.304 1.00 31.15 C ATOM 807 CD1 LEU B 646 -9.031 17.904 3.286 1.00 2.31 C ATOM 808 CD2 LEU B 646 -8.437 15.736 4.383 1.00 65.53 C ATOM 0 H LEU B 646 -6.161 17.282 0.842 1.00 54.44 H new ATOM 0 HA LEU B 646 -6.216 14.998 2.477 1.00 72.24 H new ATOM 0 HB2 LEU B 646 -8.227 16.808 1.173 1.00 61.21 H new ATOM 0 HB3 LEU B 646 -8.794 15.313 1.892 1.00 61.21 H new ATOM 0 HG LEU B 646 -7.062 17.127 3.533 1.00 31.15 H new ATOM 0 HD11 LEU B 646 -9.055 18.374 4.269 1.00 2.31 H new ATOM 0 HD12 LEU B 646 -8.713 18.634 2.542 1.00 2.31 H new ATOM 0 HD13 LEU B 646 -10.027 17.540 3.034 1.00 2.31 H new ATOM 0 HD21 LEU B 646 -8.469 16.237 5.351 1.00 65.53 H new ATOM 0 HD22 LEU B 646 -9.418 15.317 4.159 1.00 65.53 H new ATOM 0 HD23 LEU B 646 -7.699 14.935 4.413 1.00 65.53 H new ATOM 820 N THR B 647 -7.154 14.527 -0.649 1.00 73.10 N ATOM 821 CA THR B 647 -7.412 13.503 -1.654 1.00 33.22 C ATOM 822 C THR B 647 -6.239 12.535 -1.765 1.00 20.34 C ATOM 823 O THR B 647 -6.428 11.320 -1.823 1.00 45.12 O ATOM 824 CB THR B 647 -7.680 14.128 -3.036 1.00 40.01 C ATOM 825 OG1 THR B 647 -8.777 15.045 -2.954 1.00 64.11 O ATOM 826 CG2 THR B 647 -7.987 13.051 -4.065 1.00 10.22 C ATOM 0 H THR B 647 -7.157 15.481 -1.009 1.00 73.10 H new ATOM 0 HA THR B 647 -8.300 12.959 -1.331 1.00 33.22 H new ATOM 0 HB THR B 647 -6.784 14.663 -3.350 1.00 40.01 H new ATOM 0 HG1 THR B 647 -8.512 15.826 -2.424 1.00 64.11 H new ATOM 0 HG21 THR B 647 -8.173 13.515 -5.033 1.00 10.22 H new ATOM 0 HG22 THR B 647 -7.138 12.372 -4.145 1.00 10.22 H new ATOM 0 HG23 THR B 647 -8.870 12.493 -3.755 1.00 10.22 H new ATOM 834 N VAL B 648 -5.027 13.081 -1.792 1.00 12.21 N ATOM 835 CA VAL B 648 -3.824 12.264 -1.895 1.00 14.14 C ATOM 836 C VAL B 648 -3.719 11.292 -0.725 1.00 71.22 C ATOM 837 O VAL B 648 -3.511 10.093 -0.919 1.00 32.15 O ATOM 838 CB VAL B 648 -2.556 13.138 -1.937 1.00 72.44 C ATOM 839 CG1 VAL B 648 -1.307 12.268 -1.928 1.00 53.30 C ATOM 840 CG2 VAL B 648 -2.574 14.044 -3.158 1.00 64.20 C ATOM 0 H VAL B 648 -4.853 14.085 -1.744 1.00 12.21 H new ATOM 0 HA VAL B 648 -3.901 11.701 -2.825 1.00 14.14 H new ATOM 0 HB VAL B 648 -2.539 13.766 -1.046 1.00 72.44 H new ATOM 0 HG11 VAL B 648 -0.421 12.903 -1.958 1.00 53.30 H new ATOM 0 HG12 VAL B 648 -1.290 11.665 -1.020 1.00 53.30 H new ATOM 0 HG13 VAL B 648 -1.314 11.613 -2.799 1.00 53.30 H new ATOM 0 HG21 VAL B 648 -1.671 14.654 -3.172 1.00 64.20 H new ATOM 0 HG22 VAL B 648 -2.615 13.436 -4.062 1.00 64.20 H new ATOM 0 HG23 VAL B 648 -3.449 14.692 -3.117 1.00 64.20 H new ATOM 850 N ILE B 649 -3.863 11.815 0.487 1.00 52.31 N ATOM 851 CA ILE B 649 -3.786 10.992 1.687 1.00 54.54 C ATOM 852 C ILE B 649 -4.840 9.890 1.668 1.00 3.03 C ATOM 853 O ILE B 649 -4.530 8.716 1.872 1.00 30.45 O ATOM 854 CB ILE B 649 -3.967 11.838 2.962 1.00 51.55 C ATOM 855 CG1 ILE B 649 -2.860 12.888 3.066 1.00 54.44 C ATOM 856 CG2 ILE B 649 -3.975 10.944 4.193 1.00 54.21 C ATOM 857 CD1 ILE B 649 -2.974 13.767 4.291 1.00 15.02 C ATOM 0 H ILE B 649 -4.034 12.805 0.664 1.00 52.31 H new ATOM 0 HA ILE B 649 -2.794 10.541 1.697 1.00 54.54 H new ATOM 0 HB ILE B 649 -4.925 12.354 2.905 1.00 51.55 H new ATOM 0 HG12 ILE B 649 -1.893 12.385 3.079 1.00 54.44 H new ATOM 0 HG13 ILE B 649 -2.881 13.516 2.175 1.00 54.44 H new ATOM 0 HG21 ILE B 649 -4.104 11.556 5.086 1.00 54.21 H new ATOM 0 HG22 ILE B 649 -4.797 10.231 4.120 1.00 54.21 H new ATOM 0 HG23 ILE B 649 -3.031 10.404 4.256 1.00 54.21 H new ATOM 0 HD11 ILE B 649 -2.156 14.488 4.299 1.00 15.02 H new ATOM 0 HD12 ILE B 649 -3.926 14.298 4.270 1.00 15.02 H new ATOM 0 HD13 ILE B 649 -2.922 13.150 5.188 1.00 15.02 H new ATOM 869 N ALA B 650 -6.087 10.276 1.418 1.00 11.20 N ATOM 870 CA ALA B 650 -7.187 9.321 1.367 1.00 71.25 C ATOM 871 C ALA B 650 -6.960 8.281 0.274 1.00 52.11 C ATOM 872 O ALA B 650 -7.194 7.091 0.478 1.00 43.31 O ATOM 873 CB ALA B 650 -8.505 10.045 1.144 1.00 51.34 C ATOM 0 H ALA B 650 -6.361 11.244 1.248 1.00 11.20 H new ATOM 0 HA ALA B 650 -7.229 8.801 2.324 1.00 71.25 H new ATOM 0 HB1 ALA B 650 -9.317 9.319 1.108 1.00 51.34 H new ATOM 0 HB2 ALA B 650 -8.679 10.744 1.962 1.00 51.34 H new ATOM 0 HB3 ALA B 650 -8.465 10.592 0.202 1.00 51.34 H new ATOM 879 N GLY B 651 -6.503 8.740 -0.888 1.00 53.13 N ATOM 880 CA GLY B 651 -6.255 7.837 -1.996 1.00 75.03 C ATOM 881 C GLY B 651 -5.316 6.705 -1.622 1.00 10.42 C ATOM 882 O GLY B 651 -5.625 5.534 -1.844 1.00 25.31 O ATOM 0 H GLY B 651 -6.300 9.721 -1.081 1.00 53.13 H new ATOM 0 HA2 GLY B 651 -7.202 7.421 -2.341 1.00 75.03 H new ATOM 0 HA3 GLY B 651 -5.831 8.397 -2.829 1.00 75.03 H new ATOM 886 N LEU B 652 -4.168 7.055 -1.054 1.00 64.13 N ATOM 887 CA LEU B 652 -3.180 6.059 -0.650 1.00 23.55 C ATOM 888 C LEU B 652 -3.768 5.093 0.373 1.00 63.11 C ATOM 889 O LEU B 652 -3.682 3.875 0.213 1.00 20.52 O ATOM 890 CB LEU B 652 -1.944 6.747 -0.067 1.00 63.45 C ATOM 891 CG LEU B 652 -1.200 7.698 -1.006 1.00 61.41 C ATOM 892 CD1 LEU B 652 -0.111 8.447 -0.252 1.00 25.21 C ATOM 893 CD2 LEU B 652 -0.608 6.933 -2.181 1.00 72.30 C ATOM 0 H LEU B 652 -3.897 8.020 -0.862 1.00 64.13 H new ATOM 0 HA LEU B 652 -2.890 5.491 -1.534 1.00 23.55 H new ATOM 0 HB2 LEU B 652 -2.247 7.306 0.818 1.00 63.45 H new ATOM 0 HB3 LEU B 652 -1.247 5.977 0.265 1.00 63.45 H new ATOM 0 HG LEU B 652 -1.912 8.426 -1.395 1.00 61.41 H new ATOM 0 HD11 LEU B 652 0.408 9.119 -0.935 1.00 25.21 H new ATOM 0 HD12 LEU B 652 -0.560 9.026 0.555 1.00 25.21 H new ATOM 0 HD13 LEU B 652 0.600 7.733 0.165 1.00 25.21 H new ATOM 0 HD21 LEU B 652 -0.082 7.626 -2.838 1.00 72.30 H new ATOM 0 HD22 LEU B 652 0.091 6.182 -1.812 1.00 72.30 H new ATOM 0 HD23 LEU B 652 -1.408 6.442 -2.736 1.00 72.30 H new ATOM 905 N VAL B 653 -4.369 5.643 1.422 1.00 15.15 N ATOM 906 CA VAL B 653 -4.975 4.830 2.470 1.00 33.34 C ATOM 907 C VAL B 653 -5.955 3.821 1.884 1.00 52.05 C ATOM 908 O VAL B 653 -5.868 2.624 2.158 1.00 44.34 O ATOM 909 CB VAL B 653 -5.711 5.703 3.503 1.00 34.23 C ATOM 910 CG1 VAL B 653 -6.547 4.839 4.434 1.00 52.33 C ATOM 911 CG2 VAL B 653 -4.719 6.547 4.291 1.00 41.34 C ATOM 0 H VAL B 653 -4.450 6.649 1.569 1.00 15.15 H new ATOM 0 HA VAL B 653 -4.164 4.298 2.967 1.00 33.34 H new ATOM 0 HB VAL B 653 -6.383 6.376 2.971 1.00 34.23 H new ATOM 0 HG11 VAL B 653 -7.060 5.474 5.157 1.00 52.33 H new ATOM 0 HG12 VAL B 653 -7.283 4.284 3.852 1.00 52.33 H new ATOM 0 HG13 VAL B 653 -5.899 4.139 4.961 1.00 52.33 H new ATOM 0 HG21 VAL B 653 -5.256 7.158 5.016 1.00 41.34 H new ATOM 0 HG22 VAL B 653 -4.020 5.894 4.813 1.00 41.34 H new ATOM 0 HG23 VAL B 653 -4.169 7.195 3.608 1.00 41.34 H new ATOM 921 N VAL B 654 -6.888 4.311 1.074 1.00 30.01 N ATOM 922 CA VAL B 654 -7.885 3.451 0.447 1.00 20.32 C ATOM 923 C VAL B 654 -7.223 2.325 -0.337 1.00 44.15 C ATOM 924 O VAL B 654 -7.725 1.200 -0.373 1.00 33.32 O ATOM 925 CB VAL B 654 -8.801 4.251 -0.499 1.00 13.13 C ATOM 926 CG1 VAL B 654 -9.806 3.330 -1.174 1.00 63.23 C ATOM 927 CG2 VAL B 654 -9.511 5.361 0.262 1.00 61.31 C ATOM 0 H VAL B 654 -6.974 5.299 0.836 1.00 30.01 H new ATOM 0 HA VAL B 654 -8.487 3.026 1.250 1.00 20.32 H new ATOM 0 HB VAL B 654 -8.185 4.708 -1.274 1.00 13.13 H new ATOM 0 HG11 VAL B 654 -10.444 3.913 -1.838 1.00 63.23 H new ATOM 0 HG12 VAL B 654 -9.275 2.574 -1.752 1.00 63.23 H new ATOM 0 HG13 VAL B 654 -10.420 2.843 -0.416 1.00 63.23 H new ATOM 0 HG21 VAL B 654 -10.154 5.917 -0.421 1.00 61.31 H new ATOM 0 HG22 VAL B 654 -10.116 4.927 1.058 1.00 61.31 H new ATOM 0 HG23 VAL B 654 -8.772 6.036 0.695 1.00 61.31 H new ATOM 937 N ILE B 655 -6.093 2.632 -0.965 1.00 24.33 N ATOM 938 CA ILE B 655 -5.360 1.645 -1.748 1.00 45.42 C ATOM 939 C ILE B 655 -4.776 0.557 -0.853 1.00 62.31 C ATOM 940 O ILE B 655 -4.990 -0.633 -1.083 1.00 44.30 O ATOM 941 CB ILE B 655 -4.222 2.298 -2.555 1.00 51.45 C ATOM 942 CG1 ILE B 655 -4.794 3.249 -3.608 1.00 2.11 C ATOM 943 CG2 ILE B 655 -3.359 1.229 -3.212 1.00 21.15 C ATOM 944 CD1 ILE B 655 -3.841 4.354 -4.005 1.00 0.32 C ATOM 0 H ILE B 655 -5.665 3.558 -0.947 1.00 24.33 H new ATOM 0 HA ILE B 655 -6.074 1.198 -2.440 1.00 45.42 H new ATOM 0 HB ILE B 655 -3.597 2.875 -1.873 1.00 51.45 H new ATOM 0 HG12 ILE B 655 -5.063 2.676 -4.495 1.00 2.11 H new ATOM 0 HG13 ILE B 655 -5.713 3.693 -3.224 1.00 2.11 H new ATOM 0 HG21 ILE B 655 -2.559 1.705 -3.779 1.00 21.15 H new ATOM 0 HG22 ILE B 655 -2.927 0.587 -2.444 1.00 21.15 H new ATOM 0 HG23 ILE B 655 -3.972 0.629 -3.884 1.00 21.15 H new ATOM 0 HD11 ILE B 655 -4.313 4.990 -4.754 1.00 0.32 H new ATOM 0 HD12 ILE B 655 -3.591 4.951 -3.128 1.00 0.32 H new ATOM 0 HD13 ILE B 655 -2.931 3.919 -4.419 1.00 0.32 H new ATOM 956 N PHE B 656 -4.036 0.975 0.169 1.00 40.42 N ATOM 957 CA PHE B 656 -3.420 0.036 1.100 1.00 3.34 C ATOM 958 C PHE B 656 -4.478 -0.839 1.769 1.00 61.34 C ATOM 959 O PHE B 656 -4.271 -2.036 1.969 1.00 70.40 O ATOM 960 CB PHE B 656 -2.621 0.791 2.163 1.00 73.12 C ATOM 961 CG PHE B 656 -2.210 -0.068 3.325 1.00 31.04 C ATOM 962 CD1 PHE B 656 -1.773 -1.366 3.124 1.00 72.21 C ATOM 963 CD2 PHE B 656 -2.260 0.426 4.619 1.00 0.13 C ATOM 964 CE1 PHE B 656 -1.394 -2.158 4.193 1.00 42.31 C ATOM 965 CE2 PHE B 656 -1.883 -0.361 5.691 1.00 11.35 C ATOM 966 CZ PHE B 656 -1.449 -1.654 5.478 1.00 41.03 C ATOM 0 H PHE B 656 -3.848 1.957 0.373 1.00 40.42 H new ATOM 0 HA PHE B 656 -2.745 -0.607 0.536 1.00 3.34 H new ATOM 0 HB2 PHE B 656 -1.729 1.216 1.702 1.00 73.12 H new ATOM 0 HB3 PHE B 656 -3.218 1.625 2.531 1.00 73.12 H new ATOM 0 HD1 PHE B 656 -1.727 -1.765 2.121 1.00 72.21 H new ATOM 0 HD2 PHE B 656 -2.597 1.437 4.792 1.00 0.13 H new ATOM 0 HE1 PHE B 656 -1.055 -3.169 4.023 1.00 42.31 H new ATOM 0 HE2 PHE B 656 -1.928 0.035 6.695 1.00 11.35 H new ATOM 0 HZ PHE B 656 -1.153 -2.270 6.314 1.00 41.03 H new ATOM 976 N MET B 657 -5.609 -0.233 2.111 1.00 30.15 N ATOM 977 CA MET B 657 -6.698 -0.956 2.757 1.00 61.11 C ATOM 978 C MET B 657 -7.400 -1.879 1.766 1.00 41.53 C ATOM 979 O MET B 657 -7.522 -3.081 2.003 1.00 30.31 O ATOM 980 CB MET B 657 -7.706 0.027 3.358 1.00 61.33 C ATOM 981 CG MET B 657 -7.148 0.837 4.517 1.00 43.14 C ATOM 982 SD MET B 657 -8.428 1.376 5.667 1.00 64.20 S ATOM 983 CE MET B 657 -9.334 2.533 4.644 1.00 2.43 C ATOM 0 H MET B 657 -5.796 0.757 1.952 1.00 30.15 H new ATOM 0 HA MET B 657 -6.274 -1.564 3.556 1.00 61.11 H new ATOM 0 HB2 MET B 657 -8.045 0.709 2.578 1.00 61.33 H new ATOM 0 HB3 MET B 657 -8.581 -0.526 3.700 1.00 61.33 H new ATOM 0 HG2 MET B 657 -6.412 0.238 5.053 1.00 43.14 H new ATOM 0 HG3 MET B 657 -6.625 1.710 4.127 1.00 43.14 H new ATOM 0 HE1 MET B 657 -9.342 3.513 5.122 1.00 2.43 H new ATOM 0 HE2 MET B 657 -8.854 2.609 3.668 1.00 2.43 H new ATOM 0 HE3 MET B 657 -10.358 2.183 4.518 1.00 2.43 H new ATOM 993 N MET B 658 -7.859 -1.310 0.657 1.00 1.35 N ATOM 994 CA MET B 658 -8.548 -2.084 -0.370 1.00 51.02 C ATOM 995 C MET B 658 -7.666 -3.220 -0.877 1.00 42.13 C ATOM 996 O MET B 658 -8.078 -4.381 -0.892 1.00 51.22 O ATOM 997 CB MET B 658 -8.953 -1.179 -1.534 1.00 64.03 C ATOM 998 CG MET B 658 -10.173 -0.321 -1.241 1.00 21.22 C ATOM 999 SD MET B 658 -10.921 0.357 -2.735 1.00 10.35 S ATOM 1000 CE MET B 658 -9.464 0.882 -3.636 1.00 11.20 C ATOM 0 H MET B 658 -7.767 -0.316 0.446 1.00 1.35 H new ATOM 0 HA MET B 658 -9.445 -2.515 0.075 1.00 51.02 H new ATOM 0 HB2 MET B 658 -8.115 -0.530 -1.787 1.00 64.03 H new ATOM 0 HB3 MET B 658 -9.155 -1.796 -2.410 1.00 64.03 H new ATOM 0 HG2 MET B 658 -10.913 -0.918 -0.708 1.00 21.22 H new ATOM 0 HG3 MET B 658 -9.887 0.497 -0.579 1.00 21.22 H new ATOM 0 HE1 MET B 658 -9.703 1.762 -4.233 1.00 11.20 H new ATOM 0 HE2 MET B 658 -8.669 1.126 -2.932 1.00 11.20 H new ATOM 0 HE3 MET B 658 -9.133 0.078 -4.293 1.00 11.20 H new ATOM 1010 N LEU B 659 -6.450 -2.881 -1.292 1.00 23.24 N ATOM 1011 CA LEU B 659 -5.510 -3.872 -1.801 1.00 43.20 C ATOM 1012 C LEU B 659 -5.306 -4.997 -0.791 1.00 71.42 C ATOM 1013 O LEU B 659 -5.418 -6.175 -1.126 1.00 22.01 O ATOM 1014 CB LEU B 659 -4.168 -3.213 -2.127 1.00 54.41 C ATOM 1015 CG LEU B 659 -4.145 -2.313 -3.362 1.00 44.12 C ATOM 1016 CD1 LEU B 659 -2.726 -1.851 -3.659 1.00 3.22 C ATOM 1017 CD2 LEU B 659 -4.733 -3.041 -4.563 1.00 74.14 C ATOM 0 H LEU B 659 -6.092 -1.926 -1.286 1.00 23.24 H new ATOM 0 HA LEU B 659 -5.928 -4.298 -2.713 1.00 43.20 H new ATOM 0 HB2 LEU B 659 -3.858 -2.622 -1.265 1.00 54.41 H new ATOM 0 HB3 LEU B 659 -3.423 -3.998 -2.260 1.00 54.41 H new ATOM 0 HG LEU B 659 -4.757 -1.434 -3.159 1.00 44.12 H new ATOM 0 HD11 LEU B 659 -2.729 -1.211 -4.542 1.00 3.22 H new ATOM 0 HD12 LEU B 659 -2.339 -1.292 -2.807 1.00 3.22 H new ATOM 0 HD13 LEU B 659 -2.092 -2.718 -3.842 1.00 3.22 H new ATOM 0 HD21 LEU B 659 -4.709 -2.385 -5.433 1.00 74.14 H new ATOM 0 HD22 LEU B 659 -4.148 -3.937 -4.767 1.00 74.14 H new ATOM 0 HD23 LEU B 659 -5.764 -3.322 -4.349 1.00 74.14 H new ATOM 1029 N GLY B 660 -5.006 -4.624 0.450 1.00 73.41 N ATOM 1030 CA GLY B 660 -4.792 -5.612 1.491 1.00 3.33 C ATOM 1031 C GLY B 660 -6.018 -6.468 1.737 1.00 2.21 C ATOM 1032 O GLY B 660 -5.937 -7.695 1.738 1.00 41.14 O ATOM 0 H GLY B 660 -4.907 -3.655 0.753 1.00 73.41 H new ATOM 0 HA2 GLY B 660 -3.955 -6.253 1.213 1.00 3.33 H new ATOM 0 HA3 GLY B 660 -4.514 -5.107 2.416 1.00 3.33 H new ATOM 1036 N GLY B 661 -7.159 -5.819 1.948 1.00 14.15 N ATOM 1037 CA GLY B 661 -8.392 -6.545 2.197 1.00 63.23 C ATOM 1038 C GLY B 661 -8.836 -7.360 0.998 1.00 31.20 C ATOM 1039 O GLY B 661 -9.425 -8.431 1.149 1.00 22.53 O ATOM 0 H GLY B 661 -7.252 -4.803 1.951 1.00 14.15 H new ATOM 0 HA2 GLY B 661 -8.254 -7.207 3.052 1.00 63.23 H new ATOM 0 HA3 GLY B 661 -9.178 -5.839 2.464 1.00 63.23 H new ATOM 1043 N THR B 662 -8.554 -6.852 -0.198 1.00 40.10 N ATOM 1044 CA THR B 662 -8.930 -7.538 -1.428 1.00 11.05 C ATOM 1045 C THR B 662 -8.040 -8.749 -1.676 1.00 51.41 C ATOM 1046 O THR B 662 -8.529 -9.859 -1.892 1.00 12.43 O ATOM 1047 CB THR B 662 -8.848 -6.596 -2.644 1.00 10.33 C ATOM 1048 OG1 THR B 662 -9.823 -5.555 -2.524 1.00 22.23 O ATOM 1049 CG2 THR B 662 -9.074 -7.363 -3.938 1.00 41.23 C ATOM 0 H THR B 662 -8.066 -5.968 -0.341 1.00 40.10 H new ATOM 0 HA THR B 662 -9.961 -7.869 -1.303 1.00 11.05 H new ATOM 0 HB THR B 662 -7.851 -6.157 -2.669 1.00 10.33 H new ATOM 0 HG1 THR B 662 -9.486 -4.859 -1.922 1.00 22.23 H new ATOM 0 HG21 THR B 662 -9.012 -6.677 -4.783 1.00 41.23 H new ATOM 0 HG22 THR B 662 -8.312 -8.136 -4.041 1.00 41.23 H new ATOM 0 HG23 THR B 662 -10.060 -7.826 -3.919 1.00 41.23 H new ATOM 1057 N PHE B 663 -6.730 -8.532 -1.643 1.00 25.22 N ATOM 1058 CA PHE B 663 -5.770 -9.607 -1.867 1.00 54.40 C ATOM 1059 C PHE B 663 -6.001 -10.753 -0.884 1.00 62.41 C ATOM 1060 O PHE B 663 -6.194 -11.901 -1.287 1.00 35.52 O ATOM 1061 CB PHE B 663 -4.340 -9.081 -1.727 1.00 12.03 C ATOM 1062 CG PHE B 663 -3.364 -9.744 -2.656 1.00 2.13 C ATOM 1063 CD1 PHE B 663 -3.225 -11.122 -2.668 1.00 10.01 C ATOM 1064 CD2 PHE B 663 -2.586 -8.988 -3.518 1.00 51.44 C ATOM 1065 CE1 PHE B 663 -2.327 -11.734 -3.522 1.00 55.23 C ATOM 1066 CE2 PHE B 663 -1.686 -9.595 -4.375 1.00 13.32 C ATOM 1067 CZ PHE B 663 -1.558 -10.970 -4.376 1.00 42.14 C ATOM 0 H PHE B 663 -6.308 -7.621 -1.463 1.00 25.22 H new ATOM 0 HA PHE B 663 -5.913 -9.984 -2.880 1.00 54.40 H new ATOM 0 HB2 PHE B 663 -4.336 -8.007 -1.915 1.00 12.03 H new ATOM 0 HB3 PHE B 663 -4.007 -9.226 -0.699 1.00 12.03 H new ATOM 0 HD1 PHE B 663 -3.825 -11.725 -2.003 1.00 10.01 H new ATOM 0 HD2 PHE B 663 -2.683 -7.912 -3.521 1.00 51.44 H new ATOM 0 HE1 PHE B 663 -2.227 -12.809 -3.521 1.00 55.23 H new ATOM 0 HE2 PHE B 663 -1.085 -8.995 -5.042 1.00 13.32 H new ATOM 0 HZ PHE B 663 -0.857 -11.447 -5.045 1.00 42.14 H new ATOM 1077 N LEU B 664 -5.977 -10.433 0.405 1.00 71.30 N ATOM 1078 CA LEU B 664 -6.183 -11.435 1.445 1.00 34.25 C ATOM 1079 C LEU B 664 -7.517 -12.149 1.257 1.00 33.20 C ATOM 1080 O LEU B 664 -7.588 -13.377 1.322 1.00 5.42 O ATOM 1081 CB LEU B 664 -6.132 -10.779 2.828 1.00 43.13 C ATOM 1082 CG LEU B 664 -4.785 -10.183 3.239 1.00 2.44 C ATOM 1083 CD1 LEU B 664 -4.768 -9.884 4.730 1.00 60.41 C ATOM 1084 CD2 LEU B 664 -3.649 -11.124 2.868 1.00 42.22 C ATOM 0 H LEU B 664 -5.817 -9.488 0.755 1.00 71.30 H new ATOM 0 HA LEU B 664 -5.384 -12.173 1.369 1.00 34.25 H new ATOM 0 HB2 LEU B 664 -6.882 -9.988 2.861 1.00 43.13 H new ATOM 0 HB3 LEU B 664 -6.420 -11.522 3.571 1.00 43.13 H new ATOM 0 HG LEU B 664 -4.643 -9.247 2.699 1.00 2.44 H new ATOM 0 HD11 LEU B 664 -3.802 -9.460 5.005 1.00 60.41 H new ATOM 0 HD12 LEU B 664 -5.558 -9.171 4.967 1.00 60.41 H new ATOM 0 HD13 LEU B 664 -4.932 -10.806 5.288 1.00 60.41 H new ATOM 0 HD21 LEU B 664 -2.698 -10.683 3.168 1.00 42.22 H new ATOM 0 HD22 LEU B 664 -3.784 -12.077 3.379 1.00 42.22 H new ATOM 0 HD23 LEU B 664 -3.649 -11.287 1.790 1.00 42.22 H new ATOM 1096 N TYR B 665 -8.570 -11.374 1.022 1.00 73.04 N ATOM 1097 CA TYR B 665 -9.901 -11.934 0.825 1.00 25.43 C ATOM 1098 C TYR B 665 -9.922 -12.881 -0.372 1.00 22.05 C ATOM 1099 O TYR B 665 -10.407 -14.009 -0.275 1.00 24.33 O ATOM 1100 CB TYR B 665 -10.922 -10.813 0.620 1.00 41.13 C ATOM 1101 CG TYR B 665 -12.223 -11.284 0.009 1.00 42.42 C ATOM 1102 CD1 TYR B 665 -12.394 -11.317 -1.370 1.00 34.20 C ATOM 1103 CD2 TYR B 665 -13.282 -11.695 0.810 1.00 74.41 C ATOM 1104 CE1 TYR B 665 -13.581 -11.745 -1.933 1.00 75.21 C ATOM 1105 CE2 TYR B 665 -14.472 -12.126 0.256 1.00 71.55 C ATOM 1106 CZ TYR B 665 -14.616 -12.149 -1.115 1.00 43.11 C ATOM 1107 OH TYR B 665 -15.800 -12.577 -1.672 1.00 13.13 O ATOM 0 H TYR B 665 -8.527 -10.357 0.963 1.00 73.04 H new ATOM 0 HA TYR B 665 -10.166 -12.500 1.718 1.00 25.43 H new ATOM 0 HB2 TYR B 665 -11.131 -10.343 1.581 1.00 41.13 H new ATOM 0 HB3 TYR B 665 -10.485 -10.048 -0.021 1.00 41.13 H new ATOM 0 HD1 TYR B 665 -11.585 -11.003 -2.013 1.00 34.20 H new ATOM 0 HD2 TYR B 665 -13.173 -11.677 1.884 1.00 74.41 H new ATOM 0 HE1 TYR B 665 -13.698 -11.763 -3.007 1.00 75.21 H new ATOM 0 HE2 TYR B 665 -15.284 -12.443 0.893 1.00 71.55 H new ATOM 0 HH TYR B 665 -16.425 -12.827 -0.960 1.00 13.13 H new ATOM 1117 N TRP B 666 -9.393 -12.414 -1.497 1.00 10.32 N ATOM 1118 CA TRP B 666 -9.350 -13.219 -2.713 1.00 54.34 C ATOM 1119 C TRP B 666 -8.633 -14.542 -2.464 1.00 44.23 C ATOM 1120 O TRP B 666 -9.161 -15.611 -2.770 1.00 11.51 O ATOM 1121 CB TRP B 666 -8.651 -12.449 -3.834 1.00 35.30 C ATOM 1122 CG TRP B 666 -9.264 -12.676 -5.182 1.00 61.11 C ATOM 1123 CD1 TRP B 666 -10.278 -11.960 -5.753 1.00 53.13 C ATOM 1124 CD2 TRP B 666 -8.905 -13.690 -6.128 1.00 75.30 C ATOM 1125 NE1 TRP B 666 -10.570 -12.467 -6.996 1.00 54.21 N ATOM 1126 CE2 TRP B 666 -9.741 -13.528 -7.250 1.00 11.13 C ATOM 1127 CE3 TRP B 666 -7.957 -14.716 -6.136 1.00 41.24 C ATOM 1128 CZ2 TRP B 666 -9.657 -14.356 -8.365 1.00 60.22 C ATOM 1129 CZ3 TRP B 666 -7.876 -15.538 -7.245 1.00 34.32 C ATOM 1130 CH2 TRP B 666 -8.720 -15.354 -8.347 1.00 20.02 C ATOM 0 H TRP B 666 -8.988 -11.483 -1.593 1.00 10.32 H new ATOM 0 HA TRP B 666 -10.375 -13.434 -3.014 1.00 54.34 H new ATOM 0 HB2 TRP B 666 -8.678 -11.384 -3.605 1.00 35.30 H new ATOM 0 HB3 TRP B 666 -7.601 -12.741 -3.866 1.00 35.30 H new ATOM 0 HD1 TRP B 666 -10.777 -11.119 -5.294 1.00 53.13 H new ATOM 0 HE1 TRP B 666 -11.288 -12.111 -7.628 1.00 54.21 H new ATOM 0 HE3 TRP B 666 -7.300 -14.864 -5.292 1.00 41.24 H new ATOM 0 HZ2 TRP B 666 -10.308 -14.216 -9.215 1.00 60.22 H new ATOM 0 HZ3 TRP B 666 -7.149 -16.336 -7.261 1.00 34.32 H new ATOM 0 HH2 TRP B 666 -8.630 -16.012 -9.199 1.00 20.02 H new ATOM 1141 N ARG B 667 -7.429 -14.463 -1.908 1.00 33.31 N ATOM 1142 CA ARG B 667 -6.641 -15.654 -1.620 1.00 74.21 C ATOM 1143 C ARG B 667 -7.451 -16.659 -0.807 1.00 73.01 C ATOM 1144 O ARG B 667 -7.579 -17.822 -1.188 1.00 1.23 O ATOM 1145 CB ARG B 667 -5.366 -15.277 -0.861 1.00 50.32 C ATOM 1146 CG ARG B 667 -4.343 -14.547 -1.714 1.00 53.24 C ATOM 1147 CD ARG B 667 -2.965 -14.566 -1.069 1.00 52.40 C ATOM 1148 NE ARG B 667 -3.025 -14.261 0.358 1.00 10.14 N ATOM 1149 CZ ARG B 667 -2.009 -14.448 1.192 1.00 34.02 C ATOM 1150 NH1 ARG B 667 -0.861 -14.936 0.745 1.00 70.24 N ATOM 1151 NH2 ARG B 667 -2.140 -14.147 2.478 1.00 34.33 N ATOM 0 H ARG B 667 -6.978 -13.586 -1.648 1.00 33.31 H new ATOM 0 HA ARG B 667 -6.368 -16.116 -2.569 1.00 74.21 H new ATOM 0 HB2 ARG B 667 -5.632 -14.649 -0.011 1.00 50.32 H new ATOM 0 HB3 ARG B 667 -4.912 -16.182 -0.459 1.00 50.32 H new ATOM 0 HG2 ARG B 667 -4.291 -15.011 -2.699 1.00 53.24 H new ATOM 0 HG3 ARG B 667 -4.662 -13.515 -1.864 1.00 53.24 H new ATOM 0 HD2 ARG B 667 -2.512 -15.547 -1.211 1.00 52.40 H new ATOM 0 HD3 ARG B 667 -2.321 -13.842 -1.568 1.00 52.40 H new ATOM 0 HE ARG B 667 -3.895 -13.884 0.734 1.00 10.14 H new ATOM 0 HH11 ARG B 667 -0.756 -15.169 -0.242 1.00 70.24 H new ATOM 0 HH12 ARG B 667 -0.082 -15.078 1.388 1.00 70.24 H new ATOM 0 HH21 ARG B 667 -3.022 -13.772 2.827 1.00 34.33 H new ATOM 0 HH22 ARG B 667 -1.359 -14.291 3.118 1.00 34.33 H new ATOM 1165 N GLY B 668 -7.997 -16.202 0.316 1.00 73.42 N ATOM 1166 CA GLY B 668 -8.787 -17.074 1.165 1.00 12.45 C ATOM 1167 C GLY B 668 -10.074 -17.522 0.499 1.00 35.53 C ATOM 1168 O GLY B 668 -10.687 -18.503 0.917 1.00 12.44 O ATOM 0 H GLY B 668 -7.906 -15.243 0.653 1.00 73.42 H new ATOM 0 HA2 GLY B 668 -8.195 -17.950 1.431 1.00 12.45 H new ATOM 0 HA3 GLY B 668 -9.024 -16.555 2.094 1.00 12.45 H new ATOM 1172 N ARG B 669 -10.482 -16.800 -0.539 1.00 40.53 N ATOM 1173 CA ARG B 669 -11.705 -17.127 -1.262 1.00 43.43 C ATOM 1174 C ARG B 669 -11.497 -18.343 -2.161 1.00 31.20 C ATOM 1175 O ARG B 669 -12.087 -19.400 -1.938 1.00 43.31 O ATOM 1176 CB ARG B 669 -12.162 -15.932 -2.101 1.00 60.31 C ATOM 1177 CG ARG B 669 -13.368 -15.209 -1.525 1.00 42.11 C ATOM 1178 CD ARG B 669 -14.598 -16.104 -1.508 1.00 34.11 C ATOM 1179 NE ARG B 669 -14.945 -16.584 -2.841 1.00 65.35 N ATOM 1180 CZ ARG B 669 -15.991 -17.362 -3.094 1.00 41.42 C ATOM 1181 NH1 ARG B 669 -16.790 -17.746 -2.107 1.00 51.00 N ATOM 1182 NH2 ARG B 669 -16.242 -17.758 -4.336 1.00 30.04 N ATOM 0 H ARG B 669 -9.984 -15.985 -0.898 1.00 40.53 H new ATOM 0 HA ARG B 669 -12.477 -17.365 -0.530 1.00 43.43 H new ATOM 0 HB2 ARG B 669 -11.336 -15.227 -2.193 1.00 60.31 H new ATOM 0 HB3 ARG B 669 -12.402 -16.276 -3.107 1.00 60.31 H new ATOM 0 HG2 ARG B 669 -13.144 -14.877 -0.511 1.00 42.11 H new ATOM 0 HG3 ARG B 669 -13.574 -14.316 -2.115 1.00 42.11 H new ATOM 0 HD2 ARG B 669 -14.417 -16.956 -0.852 1.00 34.11 H new ATOM 0 HD3 ARG B 669 -15.441 -15.553 -1.090 1.00 34.11 H new ATOM 0 HE ARG B 669 -14.351 -16.307 -3.622 1.00 65.35 H new ATOM 0 HH11 ARG B 669 -16.602 -17.444 -1.151 1.00 51.00 H new ATOM 0 HH12 ARG B 669 -17.593 -18.344 -2.304 1.00 51.00 H new ATOM 0 HH21 ARG B 669 -15.631 -17.465 -5.098 1.00 30.04 H new ATOM 0 HH22 ARG B 669 -17.046 -18.356 -4.528 1.00 30.04 H new ATOM 1196 N ARG B 670 -10.654 -18.185 -3.176 1.00 32.51 N ATOM 1197 CA ARG B 670 -10.368 -19.269 -4.109 1.00 33.24 C ATOM 1198 C ARG B 670 -8.872 -19.560 -4.162 1.00 71.42 C ATOM 1199 O ARG B 670 -8.218 -19.326 -5.179 1.00 31.14 O ATOM 1200 CB ARG B 670 -10.879 -18.915 -5.506 1.00 4.11 C ATOM 1201 CG ARG B 670 -10.878 -17.423 -5.796 1.00 35.53 C ATOM 1202 CD ARG B 670 -11.374 -17.128 -7.203 1.00 33.51 C ATOM 1203 NE ARG B 670 -10.557 -17.785 -8.220 1.00 32.14 N ATOM 1204 CZ ARG B 670 -10.947 -17.954 -9.479 1.00 73.51 C ATOM 1205 NH1 ARG B 670 -12.134 -17.515 -9.873 1.00 71.45 N ATOM 1206 NH2 ARG B 670 -10.147 -18.562 -10.345 1.00 33.52 N ATOM 0 H ARG B 670 -10.157 -17.317 -3.374 1.00 32.51 H new ATOM 0 HA ARG B 670 -10.882 -20.163 -3.757 1.00 33.24 H new ATOM 0 HB2 ARG B 670 -10.262 -19.421 -6.248 1.00 4.11 H new ATOM 0 HB3 ARG B 670 -11.893 -19.298 -5.620 1.00 4.11 H new ATOM 0 HG2 ARG B 670 -11.510 -16.910 -5.071 1.00 35.53 H new ATOM 0 HG3 ARG B 670 -9.869 -17.028 -5.675 1.00 35.53 H new ATOM 0 HD2 ARG B 670 -12.408 -17.459 -7.300 1.00 33.51 H new ATOM 0 HD3 ARG B 670 -11.366 -16.051 -7.372 1.00 33.51 H new ATOM 0 HE ARG B 670 -9.637 -18.133 -7.949 1.00 32.14 H new ATOM 0 HH11 ARG B 670 -12.750 -17.046 -9.209 1.00 71.45 H new ATOM 0 HH12 ARG B 670 -12.431 -17.646 -10.840 1.00 71.45 H new ATOM 0 HH21 ARG B 670 -9.233 -18.900 -10.044 1.00 33.52 H new ATOM 0 HH22 ARG B 670 -10.446 -18.692 -11.311 1.00 33.52 H new ATOM 1220 N HIS B 671 -8.334 -20.073 -3.059 1.00 22.23 N ATOM 1221 CA HIS B 671 -6.914 -20.397 -2.980 1.00 64.34 C ATOM 1222 C HIS B 671 -6.562 -20.968 -1.610 1.00 2.31 C ATOM 1223 O HIS B 671 -5.473 -20.730 -1.088 1.00 71.24 O ATOM 1224 CB HIS B 671 -6.069 -19.154 -3.260 1.00 33.33 C ATOM 1225 CG HIS B 671 -4.924 -19.405 -4.191 1.00 35.51 C ATOM 1226 ND1 HIS B 671 -3.816 -20.147 -3.839 1.00 54.12 N ATOM 1227 CD2 HIS B 671 -4.717 -19.008 -5.469 1.00 41.23 C ATOM 1228 CE1 HIS B 671 -2.978 -20.196 -4.859 1.00 1.14 C ATOM 1229 NE2 HIS B 671 -3.502 -19.513 -5.861 1.00 51.10 N ATOM 0 H HIS B 671 -8.860 -20.273 -2.208 1.00 22.23 H new ATOM 0 HA HIS B 671 -6.697 -21.152 -3.735 1.00 64.34 H new ATOM 0 HB2 HIS B 671 -6.707 -18.379 -3.683 1.00 33.33 H new ATOM 0 HB3 HIS B 671 -5.682 -18.768 -2.317 1.00 33.33 H new ATOM 0 HD2 HIS B 671 -5.384 -18.406 -6.068 1.00 41.23 H new ATOM 0 HE1 HIS B 671 -2.027 -20.707 -4.872 1.00 1.14 H new ATOM 0 HE2 HIS B 671 -3.073 -19.382 -6.777 1.00 51.10 H new ATOM 1237 N HIS B 672 -7.493 -21.720 -1.031 1.00 64.24 N ATOM 1238 CA HIS B 672 -7.281 -22.325 0.280 1.00 63.33 C ATOM 1239 C HIS B 672 -6.439 -23.592 0.163 1.00 71.23 C ATOM 1240 O HIS B 672 -5.373 -23.699 0.770 1.00 51.24 O ATOM 1241 CB HIS B 672 -8.622 -22.648 0.938 1.00 40.42 C ATOM 1242 CG HIS B 672 -8.554 -22.717 2.433 1.00 41.24 C ATOM 1243 ND1 HIS B 672 -9.295 -23.608 3.180 1.00 42.11 N ATOM 1244 CD2 HIS B 672 -7.825 -22.000 3.320 1.00 52.05 C ATOM 1245 CE1 HIS B 672 -9.026 -23.435 4.462 1.00 42.21 C ATOM 1246 NE2 HIS B 672 -8.136 -22.465 4.573 1.00 14.31 N ATOM 0 H HIS B 672 -8.401 -21.925 -1.448 1.00 64.24 H new ATOM 0 HA HIS B 672 -6.743 -21.609 0.902 1.00 63.33 H new ATOM 0 HB2 HIS B 672 -9.351 -21.890 0.650 1.00 40.42 H new ATOM 0 HB3 HIS B 672 -8.985 -23.601 0.555 1.00 40.42 H new ATOM 0 HD2 HIS B 672 -7.128 -21.209 3.085 1.00 52.05 H new ATOM 0 HE1 HIS B 672 -9.460 -23.992 5.280 1.00 42.21 H new ATOM 0 HE2 HIS B 672 -7.744 -22.118 5.448 1.00 14.31 H new ATOM 1254 N HIS B 673 -6.926 -24.551 -0.619 1.00 1.01 N ATOM 1255 CA HIS B 673 -6.218 -25.811 -0.814 1.00 43.44 C ATOM 1256 C HIS B 673 -5.772 -25.965 -2.265 1.00 32.42 C ATOM 1257 O HIS B 673 -6.164 -26.910 -2.950 1.00 13.32 O ATOM 1258 CB HIS B 673 -7.110 -26.987 -0.416 1.00 61.05 C ATOM 1259 CG HIS B 673 -8.477 -26.937 -1.025 1.00 15.01 C ATOM 1260 ND1 HIS B 673 -8.828 -27.654 -2.150 1.00 21.45 N ATOM 1261 CD2 HIS B 673 -9.585 -26.250 -0.658 1.00 63.12 C ATOM 1262 CE1 HIS B 673 -10.090 -27.408 -2.449 1.00 5.25 C ATOM 1263 NE2 HIS B 673 -10.573 -26.560 -1.559 1.00 62.41 N ATOM 0 H HIS B 673 -7.807 -24.479 -1.127 1.00 1.01 H new ATOM 0 HA HIS B 673 -5.332 -25.804 -0.179 1.00 43.44 H new ATOM 0 HB2 HIS B 673 -6.624 -27.917 -0.711 1.00 61.05 H new ATOM 0 HB3 HIS B 673 -7.206 -27.008 0.670 1.00 61.05 H new ATOM 0 HD2 HIS B 673 -9.674 -25.583 0.186 1.00 63.12 H new ATOM 0 HE1 HIS B 673 -10.635 -27.829 -3.281 1.00 5.25 H new ATOM 0 HE2 HIS B 673 -11.525 -26.195 -1.544 1.00 62.41 H new ATOM 1271 N HIS B 674 -4.950 -25.029 -2.729 1.00 31.31 N ATOM 1272 CA HIS B 674 -4.450 -25.059 -4.099 1.00 43.53 C ATOM 1273 C HIS B 674 -3.656 -26.336 -4.359 1.00 35.10 C ATOM 1274 O HIS B 674 -2.856 -26.762 -3.525 1.00 71.10 O ATOM 1275 CB HIS B 674 -3.576 -23.836 -4.373 1.00 10.03 C ATOM 1276 CG HIS B 674 -3.597 -23.393 -5.804 1.00 52.33 C ATOM 1277 ND1 HIS B 674 -4.763 -23.199 -6.514 1.00 42.55 N ATOM 1278 CD2 HIS B 674 -2.586 -23.104 -6.657 1.00 15.31 C ATOM 1279 CE1 HIS B 674 -4.469 -22.813 -7.742 1.00 61.40 C ATOM 1280 NE2 HIS B 674 -3.154 -22.746 -7.855 1.00 35.44 N ATOM 0 H HIS B 674 -4.616 -24.240 -2.176 1.00 31.31 H new ATOM 0 HA HIS B 674 -5.307 -25.041 -4.773 1.00 43.53 H new ATOM 0 HB2 HIS B 674 -3.909 -23.013 -3.741 1.00 10.03 H new ATOM 0 HB3 HIS B 674 -2.549 -24.062 -4.086 1.00 10.03 H new ATOM 0 HD2 HIS B 674 -1.530 -23.147 -6.436 1.00 15.31 H new ATOM 0 HE1 HIS B 674 -5.182 -22.590 -8.522 1.00 61.40 H new ATOM 0 HE2 HIS B 674 -2.644 -22.473 -8.695 1.00 35.44 H new ATOM 1288 N HIS B 675 -3.883 -26.943 -5.519 1.00 70.31 N ATOM 1289 CA HIS B 675 -3.188 -28.171 -5.888 1.00 22.20 C ATOM 1290 C HIS B 675 -3.202 -28.370 -7.401 1.00 70.32 C ATOM 1291 O HIS B 675 -2.151 -28.414 -8.041 1.00 22.40 O ATOM 1292 CB HIS B 675 -3.833 -29.374 -5.198 1.00 60.04 C ATOM 1293 CG HIS B 675 -3.015 -30.625 -5.289 1.00 10.41 C ATOM 1294 ND1 HIS B 675 -3.543 -31.884 -5.095 1.00 63.25 N ATOM 1295 CD2 HIS B 675 -1.701 -30.807 -5.555 1.00 61.33 C ATOM 1296 CE1 HIS B 675 -2.588 -32.787 -5.237 1.00 4.23 C ATOM 1297 NE2 HIS B 675 -1.461 -32.158 -5.518 1.00 73.01 N ATOM 0 H HIS B 675 -4.543 -26.605 -6.220 1.00 70.31 H new ATOM 0 HA HIS B 675 -2.152 -28.085 -5.560 1.00 22.20 H new ATOM 0 HB2 HIS B 675 -4.000 -29.134 -4.148 1.00 60.04 H new ATOM 0 HB3 HIS B 675 -4.811 -29.556 -5.643 1.00 60.04 H new ATOM 0 HD2 HIS B 675 -0.976 -30.033 -5.759 1.00 61.33 H new ATOM 0 HE1 HIS B 675 -2.709 -33.856 -5.140 1.00 4.23 H new ATOM 0 HE2 HIS B 675 -0.558 -32.604 -5.681 1.00 73.01 H new ATOM 1305 N HIS B 676 -4.399 -28.489 -7.966 1.00 74.24 N ATOM 1306 CA HIS B 676 -4.549 -28.683 -9.404 1.00 52.34 C ATOM 1307 C HIS B 676 -5.695 -27.837 -9.949 1.00 23.24 C ATOM 1308 O HIS B 676 -5.503 -27.027 -10.857 1.00 60.20 O ATOM 1309 CB HIS B 676 -4.796 -30.159 -9.718 1.00 72.34 C ATOM 1310 CG HIS B 676 -3.993 -30.668 -10.875 1.00 54.22 C ATOM 1311 ND1 HIS B 676 -4.158 -30.211 -12.165 1.00 3.20 N ATOM 1312 CD2 HIS B 676 -3.012 -31.600 -10.931 1.00 43.41 C ATOM 1313 CE1 HIS B 676 -3.316 -30.840 -12.965 1.00 44.51 C ATOM 1314 NE2 HIS B 676 -2.609 -31.688 -12.240 1.00 63.32 N ATOM 0 H HIS B 676 -5.279 -28.455 -7.451 1.00 74.24 H new ATOM 0 HA HIS B 676 -3.625 -28.366 -9.887 1.00 52.34 H new ATOM 0 HB2 HIS B 676 -4.563 -30.754 -8.835 1.00 72.34 H new ATOM 0 HB3 HIS B 676 -5.855 -30.305 -9.930 1.00 72.34 H new ATOM 0 HD2 HIS B 676 -2.620 -32.168 -10.100 1.00 43.41 H new ATOM 0 HE1 HIS B 676 -3.222 -30.687 -14.030 1.00 44.51 H new ATOM 0 HE2 HIS B 676 -1.881 -32.308 -12.595 1.00 63.32 H new TER 1322 HIS B 676