USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 675 HIS : no HD1:sc= 0 X(o=-0.087,f=-0.0066) USER MOD Set 1.2: A 676 HIS : no HD1:sc= -0.0872 X(o=-0.087,f=-0.0047) 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= -1.85 K(o=-1.8,f=-2.5) USER MOD Single : A 643 THR OG1 : rot 87:sc= 0.352 USER MOD Single : A 644 MET CE :methyl -128:sc= -0.09 (180deg=-0.766) USER MOD Single : A 647 THR OG1 : rot 69:sc= 0.535 USER MOD Single : A 657 MET CE :methyl -140:sc= 0 (180deg=-0.88) USER MOD Single : A 658 MET CE :methyl -150:sc= -1.65 (180deg=-3.31!) USER MOD Single : A 662 THR OG1 : rot 80:sc= 1.18 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 671 HIS : no HD1:sc= -0.663 X(o=-0.66,f=-1) USER MOD Single : A 672 HIS : no HD1:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 673 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 674 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.037) 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= -0.339 K(o=-0.34,f=-1.3) USER MOD Single : B 643 THR OG1 : rot 87:sc= 0.355 USER MOD Single : B 644 MET CE :methyl -129:sc= -0.0834 (180deg=-0.769) USER MOD Single : B 647 THR OG1 : rot 69:sc= 0.478 USER MOD Single : B 657 MET CE :methyl -141:sc= 0 (180deg=-0.851) USER MOD Single : B 658 MET CE :methyl -151:sc= -1.62 (180deg=-3.24!) USER MOD Single : B 662 THR OG1 : rot 80:sc= 1.14 USER MOD Single : B 665 TYR OH : rot 180:sc= -0.742 USER MOD Single : B 671 HIS : no HD1:sc= -0.582 K(o=-0.58,f=-1.1) USER MOD Single : B 672 HIS : no HD1:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : B 673 HIS : no HD1:sc= -0.0351 X(o=-0.035,f=-0.0035) USER MOD Single : B 674 HIS : no HE2:sc= -0.0744 K(o=-0.074,f=-1.2) USER MOD Single : B 675 HIS : no HD1:sc= -0.315 K(o=-0.31,f=-1.2) USER MOD Single : B 676 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 637 -0.490 30.267 9.330 1.00 44.32 N ATOM 2 CA MET A 637 0.895 29.861 9.533 1.00 30.23 C ATOM 3 C MET A 637 0.984 28.377 9.872 1.00 2.35 C ATOM 4 O MET A 637 -0.033 27.712 10.059 1.00 51.41 O ATOM 5 CB MET A 637 1.533 30.691 10.648 1.00 11.30 C ATOM 6 CG MET A 637 1.790 32.139 10.260 1.00 40.44 C ATOM 7 SD MET A 637 3.147 32.876 11.188 1.00 34.24 S ATOM 8 CE MET A 637 2.248 33.938 12.317 1.00 21.53 C ATOM 0 HA MET A 637 1.438 30.035 8.604 1.00 30.23 H new ATOM 0 HB2 MET A 637 0.884 30.668 11.523 1.00 11.30 H new ATOM 0 HB3 MET A 637 2.476 30.229 10.939 1.00 11.30 H new ATOM 0 HG2 MET A 637 2.013 32.191 9.194 1.00 40.44 H new ATOM 0 HG3 MET A 637 0.884 32.722 10.425 1.00 40.44 H new ATOM 0 HE1 MET A 637 2.953 34.464 12.961 1.00 21.53 H new ATOM 0 HE2 MET A 637 1.665 34.662 11.749 1.00 21.53 H new ATOM 0 HE3 MET A 637 1.579 33.334 12.930 1.00 21.53 H new ATOM 18 N GLY A 638 2.208 27.864 9.951 1.00 23.35 N ATOM 19 CA GLY A 638 2.406 26.462 10.268 1.00 61.30 C ATOM 20 C GLY A 638 3.329 25.770 9.285 1.00 43.13 C ATOM 21 O GLY A 638 2.907 25.381 8.195 1.00 50.33 O ATOM 0 H GLY A 638 3.066 28.395 9.801 1.00 23.35 H new ATOM 0 HA2 GLY A 638 2.819 26.375 11.273 1.00 61.30 H new ATOM 0 HA3 GLY A 638 1.441 25.955 10.275 1.00 61.30 H new ATOM 25 N ARG A 639 4.592 25.618 9.668 1.00 70.42 N ATOM 26 CA ARG A 639 5.578 24.971 8.810 1.00 20.32 C ATOM 27 C ARG A 639 6.116 23.701 9.462 1.00 75.15 C ATOM 28 O ARG A 639 6.654 22.823 8.787 1.00 55.25 O ATOM 29 CB ARG A 639 6.731 25.930 8.508 1.00 52.20 C ATOM 30 CG ARG A 639 6.447 26.881 7.358 1.00 2.13 C ATOM 31 CD ARG A 639 7.185 28.200 7.530 1.00 64.40 C ATOM 32 NE ARG A 639 6.859 29.152 6.471 1.00 42.44 N ATOM 33 CZ ARG A 639 7.386 30.367 6.387 1.00 31.43 C ATOM 34 NH1 ARG A 639 8.261 30.778 7.295 1.00 14.41 N ATOM 35 NH2 ARG A 639 7.040 31.176 5.394 1.00 60.23 N ATOM 0 H ARG A 639 4.957 25.934 10.567 1.00 70.42 H new ATOM 0 HA ARG A 639 5.087 24.699 7.876 1.00 20.32 H new ATOM 0 HB2 ARG A 639 6.952 26.512 9.403 1.00 52.20 H new ATOM 0 HB3 ARG A 639 7.624 25.349 8.276 1.00 52.20 H new ATOM 0 HG2 ARG A 639 6.745 26.416 6.418 1.00 2.13 H new ATOM 0 HG3 ARG A 639 5.375 27.068 7.296 1.00 2.13 H new ATOM 0 HD2 ARG A 639 6.932 28.633 8.498 1.00 64.40 H new ATOM 0 HD3 ARG A 639 8.259 28.016 7.534 1.00 64.40 H new ATOM 0 HE ARG A 639 6.189 28.867 5.757 1.00 42.44 H new ATOM 0 HH11 ARG A 639 8.530 30.160 8.060 1.00 14.41 H new ATOM 0 HH12 ARG A 639 8.665 31.712 7.228 1.00 14.41 H new ATOM 0 HH21 ARG A 639 6.368 30.865 4.693 1.00 60.23 H new ATOM 0 HH22 ARG A 639 7.446 32.109 5.332 1.00 60.23 H new ATOM 49 N THR A 640 5.969 23.611 10.781 1.00 33.13 N ATOM 50 CA THR A 640 6.442 22.450 11.525 1.00 34.15 C ATOM 51 C THR A 640 5.497 21.266 11.353 1.00 54.01 C ATOM 52 O THR A 640 5.924 20.110 11.376 1.00 21.21 O ATOM 53 CB THR A 640 6.585 22.765 13.026 1.00 4.11 C ATOM 54 OG1 THR A 640 7.489 23.859 13.213 1.00 34.31 O ATOM 55 CG2 THR A 640 7.087 21.549 13.789 1.00 1.22 C ATOM 0 H THR A 640 5.526 24.328 11.355 1.00 33.13 H new ATOM 0 HA THR A 640 7.421 22.192 11.121 1.00 34.15 H new ATOM 0 HB THR A 640 5.603 23.036 13.413 1.00 4.11 H new ATOM 0 HG1 THR A 640 7.573 24.054 14.170 1.00 34.31 H new ATOM 0 HG21 THR A 640 7.180 21.796 14.847 1.00 1.22 H new ATOM 0 HG22 THR A 640 6.381 20.727 13.669 1.00 1.22 H new ATOM 0 HG23 THR A 640 8.060 21.251 13.399 1.00 1.22 H new ATOM 63 N HIS A 641 4.212 21.559 11.182 1.00 71.30 N ATOM 64 CA HIS A 641 3.207 20.517 11.005 1.00 53.21 C ATOM 65 C HIS A 641 3.460 19.731 9.723 1.00 4.24 C ATOM 66 O HIS A 641 2.884 18.662 9.513 1.00 72.43 O ATOM 67 CB HIS A 641 1.806 21.129 10.976 1.00 74.42 C ATOM 68 CG HIS A 641 1.485 21.827 9.690 1.00 63.24 C ATOM 69 ND1 HIS A 641 1.102 21.158 8.547 1.00 4.20 N ATOM 70 CD2 HIS A 641 1.490 23.142 9.371 1.00 71.34 C ATOM 71 CE1 HIS A 641 0.886 22.031 7.580 1.00 64.21 C ATOM 72 NE2 HIS A 641 1.115 23.243 8.054 1.00 71.01 N ATOM 0 H HIS A 641 3.842 22.509 11.162 1.00 71.30 H new ATOM 0 HA HIS A 641 3.277 19.832 11.850 1.00 53.21 H new ATOM 0 HB2 HIS A 641 1.071 20.342 11.146 1.00 74.42 H new ATOM 0 HB3 HIS A 641 1.711 21.838 11.799 1.00 74.42 H new ATOM 0 HD2 HIS A 641 1.742 23.960 10.030 1.00 71.34 H new ATOM 0 HE1 HIS A 641 0.575 21.795 6.573 1.00 64.21 H new ATOM 0 HE2 HIS A 641 1.027 24.112 7.527 1.00 71.01 H new ATOM 80 N LEU A 642 4.321 20.267 8.866 1.00 20.42 N ATOM 81 CA LEU A 642 4.649 19.617 7.602 1.00 3.31 C ATOM 82 C LEU A 642 5.475 18.357 7.836 1.00 22.31 C ATOM 83 O LEU A 642 5.372 17.385 7.087 1.00 15.52 O ATOM 84 CB LEU A 642 5.414 20.581 6.693 1.00 30.02 C ATOM 85 CG LEU A 642 4.562 21.566 5.891 1.00 32.44 C ATOM 86 CD1 LEU A 642 5.365 22.813 5.552 1.00 33.14 C ATOM 87 CD2 LEU A 642 4.034 20.909 4.625 1.00 62.40 C ATOM 0 H LEU A 642 4.805 21.151 9.023 1.00 20.42 H new ATOM 0 HA LEU A 642 3.716 19.332 7.116 1.00 3.31 H new ATOM 0 HB2 LEU A 642 6.112 21.151 7.307 1.00 30.02 H new ATOM 0 HB3 LEU A 642 6.010 19.994 5.994 1.00 30.02 H new ATOM 0 HG LEU A 642 3.710 21.862 6.504 1.00 32.44 H new ATOM 0 HD11 LEU A 642 4.743 23.502 4.981 1.00 33.14 H new ATOM 0 HD12 LEU A 642 5.692 23.296 6.472 1.00 33.14 H new ATOM 0 HD13 LEU A 642 6.236 22.535 4.959 1.00 33.14 H new ATOM 0 HD21 LEU A 642 3.430 21.625 4.068 1.00 62.40 H new ATOM 0 HD22 LEU A 642 4.871 20.583 4.008 1.00 62.40 H new ATOM 0 HD23 LEU A 642 3.422 20.047 4.891 1.00 62.40 H new ATOM 99 N THR A 643 6.296 18.380 8.882 1.00 21.21 N ATOM 100 CA THR A 643 7.140 17.240 9.216 1.00 53.23 C ATOM 101 C THR A 643 6.300 16.000 9.505 1.00 20.22 C ATOM 102 O THR A 643 6.505 14.946 8.903 1.00 72.10 O ATOM 103 CB THR A 643 8.030 17.538 10.437 1.00 24.04 C ATOM 104 OG1 THR A 643 8.490 18.894 10.388 1.00 4.22 O ATOM 105 CG2 THR A 643 9.222 16.594 10.481 1.00 33.34 C ATOM 0 H THR A 643 6.394 19.176 9.512 1.00 21.21 H new ATOM 0 HA THR A 643 7.775 17.053 8.350 1.00 53.23 H new ATOM 0 HB THR A 643 7.435 17.389 11.338 1.00 24.04 H new ATOM 0 HG1 THR A 643 7.830 19.479 10.816 1.00 4.22 H new ATOM 0 HG21 THR A 643 9.836 16.824 11.352 1.00 33.34 H new ATOM 0 HG22 THR A 643 8.869 15.565 10.547 1.00 33.34 H new ATOM 0 HG23 THR A 643 9.816 16.716 9.576 1.00 33.34 H new ATOM 113 N MET A 644 5.354 16.134 10.429 1.00 60.14 N ATOM 114 CA MET A 644 4.482 15.024 10.795 1.00 14.24 C ATOM 115 C MET A 644 3.620 14.597 9.613 1.00 45.34 C ATOM 116 O MET A 644 3.538 13.412 9.288 1.00 32.03 O ATOM 117 CB MET A 644 3.591 15.417 11.976 1.00 40.45 C ATOM 118 CG MET A 644 4.355 15.616 13.275 1.00 64.13 C ATOM 119 SD MET A 644 4.513 14.094 14.228 1.00 13.43 S ATOM 120 CE MET A 644 6.136 13.538 13.716 1.00 21.05 C ATOM 0 H MET A 644 5.172 16.999 10.937 1.00 60.14 H new ATOM 0 HA MET A 644 5.110 14.182 11.086 1.00 14.24 H new ATOM 0 HB2 MET A 644 3.062 16.338 11.731 1.00 40.45 H new ATOM 0 HB3 MET A 644 2.836 14.645 12.123 1.00 40.45 H new ATOM 0 HG2 MET A 644 5.348 16.005 13.052 1.00 64.13 H new ATOM 0 HG3 MET A 644 3.847 16.367 13.879 1.00 64.13 H new ATOM 0 HE1 MET A 644 6.076 12.503 13.379 1.00 21.05 H new ATOM 0 HE2 MET A 644 6.495 14.165 12.900 1.00 21.05 H new ATOM 0 HE3 MET A 644 6.826 13.606 14.557 1.00 21.05 H new ATOM 130 N ALA A 645 2.979 15.568 8.971 1.00 13.34 N ATOM 131 CA ALA A 645 2.124 15.292 7.824 1.00 61.32 C ATOM 132 C ALA A 645 2.904 14.595 6.713 1.00 20.43 C ATOM 133 O ALA A 645 2.405 13.666 6.079 1.00 44.21 O ATOM 134 CB ALA A 645 1.502 16.580 7.306 1.00 34.31 C ATOM 0 H ALA A 645 3.036 16.554 9.226 1.00 13.34 H new ATOM 0 HA ALA A 645 1.328 14.622 8.149 1.00 61.32 H new ATOM 0 HB1 ALA A 645 0.866 16.358 6.449 1.00 34.31 H new ATOM 0 HB2 ALA A 645 0.903 17.037 8.094 1.00 34.31 H new ATOM 0 HB3 ALA A 645 2.291 17.269 7.004 1.00 34.31 H new ATOM 140 N LEU A 646 4.131 15.052 6.483 1.00 4.11 N ATOM 141 CA LEU A 646 4.980 14.473 5.448 1.00 74.12 C ATOM 142 C LEU A 646 5.267 13.003 5.738 1.00 23.44 C ATOM 143 O LEU A 646 5.211 12.159 4.843 1.00 33.24 O ATOM 144 CB LEU A 646 6.293 15.250 5.346 1.00 65.34 C ATOM 145 CG LEU A 646 6.271 16.492 4.454 1.00 3.24 C ATOM 146 CD1 LEU A 646 7.300 17.507 4.925 1.00 64.21 C ATOM 147 CD2 LEU A 646 6.520 16.112 3.001 1.00 54.12 C ATOM 0 H LEU A 646 4.559 15.821 6.999 1.00 4.11 H new ATOM 0 HA LEU A 646 4.450 14.540 4.498 1.00 74.12 H new ATOM 0 HB2 LEU A 646 6.591 15.553 6.350 1.00 65.34 H new ATOM 0 HB3 LEU A 646 7.064 14.574 4.975 1.00 65.34 H new ATOM 0 HG LEU A 646 5.283 16.947 4.525 1.00 3.24 H new ATOM 0 HD11 LEU A 646 7.269 18.384 4.278 1.00 64.21 H new ATOM 0 HD12 LEU A 646 7.075 17.804 5.949 1.00 64.21 H new ATOM 0 HD13 LEU A 646 8.294 17.062 4.886 1.00 64.21 H new ATOM 0 HD21 LEU A 646 6.501 17.009 2.382 1.00 54.12 H new ATOM 0 HD22 LEU A 646 7.494 15.631 2.913 1.00 54.12 H new ATOM 0 HD23 LEU A 646 5.744 15.424 2.667 1.00 54.12 H new ATOM 159 N THR A 647 5.573 12.702 6.997 1.00 24.03 N ATOM 160 CA THR A 647 5.868 11.335 7.405 1.00 10.32 C ATOM 161 C THR A 647 4.679 10.416 7.146 1.00 75.45 C ATOM 162 O THR A 647 4.841 9.299 6.653 1.00 34.45 O ATOM 163 CB THR A 647 6.241 11.264 8.898 1.00 75.35 C ATOM 164 OG1 THR A 647 7.368 12.106 9.162 1.00 63.51 O ATOM 165 CG2 THR A 647 6.564 9.834 9.307 1.00 71.13 C ATOM 0 H THR A 647 5.623 13.387 7.751 1.00 24.03 H new ATOM 0 HA THR A 647 6.718 11.002 6.809 1.00 10.32 H new ATOM 0 HB THR A 647 5.386 11.608 9.480 1.00 75.35 H new ATOM 0 HG1 THR A 647 7.105 13.045 9.064 1.00 63.51 H new ATOM 0 HG21 THR A 647 6.825 9.808 10.365 1.00 71.13 H new ATOM 0 HG22 THR A 647 5.695 9.200 9.132 1.00 71.13 H new ATOM 0 HG23 THR A 647 7.405 9.468 8.717 1.00 71.13 H new ATOM 173 N VAL A 648 3.484 10.892 7.481 1.00 73.34 N ATOM 174 CA VAL A 648 2.268 10.113 7.282 1.00 52.15 C ATOM 175 C VAL A 648 2.052 9.798 5.806 1.00 3.45 C ATOM 176 O VAL A 648 1.857 8.642 5.429 1.00 72.01 O ATOM 177 CB VAL A 648 1.032 10.855 7.824 1.00 15.30 C ATOM 178 CG1 VAL A 648 -0.236 10.065 7.532 1.00 31.11 C ATOM 179 CG2 VAL A 648 1.178 11.112 9.317 1.00 42.43 C ATOM 0 H VAL A 648 3.332 11.813 7.891 1.00 73.34 H new ATOM 0 HA VAL A 648 2.395 9.182 7.834 1.00 52.15 H new ATOM 0 HB VAL A 648 0.956 11.818 7.318 1.00 15.30 H new ATOM 0 HG11 VAL A 648 -1.099 10.605 7.922 1.00 31.11 H new ATOM 0 HG12 VAL A 648 -0.345 9.937 6.455 1.00 31.11 H new ATOM 0 HG13 VAL A 648 -0.173 9.087 8.009 1.00 31.11 H new ATOM 0 HG21 VAL A 648 0.296 11.637 9.684 1.00 42.43 H new ATOM 0 HG22 VAL A 648 1.279 10.162 9.842 1.00 42.43 H new ATOM 0 HG23 VAL A 648 2.064 11.721 9.496 1.00 42.43 H new ATOM 189 N ILE A 649 2.086 10.835 4.975 1.00 63.13 N ATOM 190 CA ILE A 649 1.895 10.668 3.539 1.00 20.22 C ATOM 191 C ILE A 649 2.943 9.730 2.950 1.00 54.24 C ATOM 192 O ILE A 649 2.620 8.832 2.173 1.00 2.23 O ATOM 193 CB ILE A 649 1.962 12.019 2.803 1.00 43.02 C ATOM 194 CG1 ILE A 649 0.863 12.955 3.309 1.00 32.42 C ATOM 195 CG2 ILE A 649 1.836 11.810 1.301 1.00 42.40 C ATOM 196 CD1 ILE A 649 0.865 14.310 2.636 1.00 21.45 C ATOM 0 H ILE A 649 2.244 11.798 5.271 1.00 63.13 H new ATOM 0 HA ILE A 649 0.904 10.235 3.400 1.00 20.22 H new ATOM 0 HB ILE A 649 2.929 12.480 3.007 1.00 43.02 H new ATOM 0 HG12 ILE A 649 -0.106 12.482 3.152 1.00 32.42 H new ATOM 0 HG13 ILE A 649 0.980 13.092 4.384 1.00 32.42 H new ATOM 0 HG21 ILE A 649 1.885 12.774 0.794 1.00 42.40 H new ATOM 0 HG22 ILE A 649 2.650 11.175 0.952 1.00 42.40 H new ATOM 0 HG23 ILE A 649 0.882 11.331 1.079 1.00 42.40 H new ATOM 0 HD11 ILE A 649 0.059 14.920 3.044 1.00 21.45 H new ATOM 0 HD12 ILE A 649 1.820 14.803 2.814 1.00 21.45 H new ATOM 0 HD13 ILE A 649 0.717 14.184 1.564 1.00 21.45 H new ATOM 208 N ALA A 650 4.200 9.941 3.329 1.00 5.33 N ATOM 209 CA ALA A 650 5.294 9.112 2.842 1.00 52.54 C ATOM 210 C ALA A 650 5.133 7.666 3.301 1.00 30.22 C ATOM 211 O ALA A 650 5.414 6.732 2.551 1.00 11.31 O ATOM 212 CB ALA A 650 6.628 9.671 3.310 1.00 73.44 C ATOM 0 H ALA A 650 4.485 10.680 3.972 1.00 5.33 H new ATOM 0 HA ALA A 650 5.270 9.125 1.752 1.00 52.54 H new ATOM 0 HB1 ALA A 650 7.437 9.041 2.939 1.00 73.44 H new ATOM 0 HB2 ALA A 650 6.752 10.684 2.928 1.00 73.44 H new ATOM 0 HB3 ALA A 650 6.653 9.689 4.400 1.00 73.44 H new ATOM 218 N GLY A 651 4.681 7.489 4.538 1.00 11.43 N ATOM 219 CA GLY A 651 4.492 6.154 5.076 1.00 33.24 C ATOM 220 C GLY A 651 3.493 5.343 4.275 1.00 21.50 C ATOM 221 O GLY A 651 3.779 4.212 3.877 1.00 2.43 O ATOM 0 H GLY A 651 4.442 8.246 5.178 1.00 11.43 H new ATOM 0 HA2 GLY A 651 5.449 5.633 5.092 1.00 33.24 H new ATOM 0 HA3 GLY A 651 4.152 6.227 6.109 1.00 33.24 H new ATOM 225 N LEU A 652 2.320 5.919 4.038 1.00 54.35 N ATOM 226 CA LEU A 652 1.274 5.240 3.281 1.00 31.34 C ATOM 227 C LEU A 652 1.759 4.889 1.878 1.00 74.15 C ATOM 228 O LEU A 652 1.541 3.778 1.394 1.00 41.24 O ATOM 229 CB LEU A 652 0.026 6.121 3.195 1.00 15.50 C ATOM 230 CG LEU A 652 -0.531 6.625 4.527 1.00 21.34 C ATOM 231 CD1 LEU A 652 -1.519 7.759 4.297 1.00 72.02 C ATOM 232 CD2 LEU A 652 -1.190 5.489 5.294 1.00 13.11 C ATOM 0 H LEU A 652 2.069 6.854 4.359 1.00 54.35 H new ATOM 0 HA LEU A 652 1.024 4.316 3.802 1.00 31.34 H new ATOM 0 HB2 LEU A 652 0.257 6.984 2.570 1.00 15.50 H new ATOM 0 HB3 LEU A 652 -0.757 5.559 2.686 1.00 15.50 H new ATOM 0 HG LEU A 652 0.297 7.007 5.124 1.00 21.34 H new ATOM 0 HD11 LEU A 652 -1.905 8.105 5.256 1.00 72.02 H new ATOM 0 HD12 LEU A 652 -1.016 8.582 3.790 1.00 72.02 H new ATOM 0 HD13 LEU A 652 -2.344 7.403 3.681 1.00 72.02 H new ATOM 0 HD21 LEU A 652 -1.580 5.866 6.239 1.00 13.11 H new ATOM 0 HD22 LEU A 652 -2.007 5.077 4.702 1.00 13.11 H new ATOM 0 HD23 LEU A 652 -0.455 4.709 5.491 1.00 13.11 H new ATOM 244 N VAL A 653 2.421 5.842 1.230 1.00 65.33 N ATOM 245 CA VAL A 653 2.940 5.633 -0.116 1.00 72.01 C ATOM 246 C VAL A 653 3.925 4.470 -0.150 1.00 41.21 C ATOM 247 O VAL A 653 3.777 3.539 -0.944 1.00 33.23 O ATOM 248 CB VAL A 653 3.637 6.897 -0.652 1.00 22.53 C ATOM 249 CG1 VAL A 653 4.365 6.596 -1.953 1.00 52.12 C ATOM 250 CG2 VAL A 653 2.630 8.021 -0.843 1.00 2.51 C ATOM 0 H VAL A 653 2.611 6.767 1.616 1.00 65.33 H new ATOM 0 HA VAL A 653 2.086 5.401 -0.752 1.00 72.01 H new ATOM 0 HB VAL A 653 4.375 7.222 0.082 1.00 22.53 H new ATOM 0 HG11 VAL A 653 4.851 7.502 -2.316 1.00 52.12 H new ATOM 0 HG12 VAL A 653 5.116 5.825 -1.780 1.00 52.12 H new ATOM 0 HG13 VAL A 653 3.650 6.245 -2.697 1.00 52.12 H new ATOM 0 HG21 VAL A 653 3.140 8.906 -1.222 1.00 2.51 H new ATOM 0 HG22 VAL A 653 1.867 7.709 -1.556 1.00 2.51 H new ATOM 0 HG23 VAL A 653 2.160 8.255 0.112 1.00 2.51 H new ATOM 260 N VAL A 654 4.931 4.528 0.716 1.00 73.13 N ATOM 261 CA VAL A 654 5.941 3.478 0.787 1.00 51.24 C ATOM 262 C VAL A 654 5.299 2.112 1.004 1.00 40.32 C ATOM 263 O VAL A 654 5.804 1.095 0.528 1.00 42.21 O ATOM 264 CB VAL A 654 6.950 3.745 1.920 1.00 4.45 C ATOM 265 CG1 VAL A 654 7.966 2.616 2.007 1.00 51.21 C ATOM 266 CG2 VAL A 654 7.643 5.082 1.710 1.00 34.54 C ATOM 0 H VAL A 654 5.069 5.291 1.379 1.00 73.13 H new ATOM 0 HA VAL A 654 6.468 3.481 -0.167 1.00 51.24 H new ATOM 0 HB VAL A 654 6.408 3.787 2.865 1.00 4.45 H new ATOM 0 HG11 VAL A 654 8.671 2.822 2.813 1.00 51.21 H new ATOM 0 HG12 VAL A 654 7.450 1.677 2.207 1.00 51.21 H new ATOM 0 HG13 VAL A 654 8.506 2.539 1.063 1.00 51.21 H new ATOM 0 HG21 VAL A 654 8.352 5.255 2.519 1.00 34.54 H new ATOM 0 HG22 VAL A 654 8.174 5.071 0.758 1.00 34.54 H new ATOM 0 HG23 VAL A 654 6.900 5.880 1.702 1.00 34.54 H new ATOM 276 N ILE A 655 4.184 2.097 1.726 1.00 0.44 N ATOM 277 CA ILE A 655 3.472 0.855 2.005 1.00 2.13 C ATOM 278 C ILE A 655 2.883 0.261 0.730 1.00 42.01 C ATOM 279 O ILE A 655 3.109 -0.908 0.415 1.00 30.13 O ATOM 280 CB ILE A 655 2.340 1.073 3.026 1.00 35.22 C ATOM 281 CG1 ILE A 655 2.922 1.429 4.397 1.00 44.40 C ATOM 282 CG2 ILE A 655 1.466 -0.169 3.121 1.00 74.23 C ATOM 283 CD1 ILE A 655 2.006 2.292 5.236 1.00 20.12 C ATOM 0 H ILE A 655 3.754 2.930 2.128 1.00 0.44 H new ATOM 0 HA ILE A 655 4.200 0.161 2.424 1.00 2.13 H new ATOM 0 HB ILE A 655 1.721 1.904 2.688 1.00 35.22 H new ATOM 0 HG12 ILE A 655 3.140 0.509 4.940 1.00 44.40 H new ATOM 0 HG13 ILE A 655 3.870 1.949 4.257 1.00 44.40 H new ATOM 0 HG21 ILE A 655 0.670 0.001 3.847 1.00 74.23 H new ATOM 0 HG22 ILE A 655 1.028 -0.381 2.146 1.00 74.23 H new ATOM 0 HG23 ILE A 655 2.072 -1.017 3.439 1.00 74.23 H new ATOM 0 HD11 ILE A 655 2.482 2.505 6.193 1.00 20.12 H new ATOM 0 HD12 ILE A 655 1.808 3.228 4.713 1.00 20.12 H new ATOM 0 HD13 ILE A 655 1.067 1.766 5.407 1.00 20.12 H new ATOM 295 N PHE A 656 2.128 1.073 -0.002 1.00 32.05 N ATOM 296 CA PHE A 656 1.507 0.629 -1.244 1.00 55.23 C ATOM 297 C PHE A 656 2.561 0.147 -2.236 1.00 5.45 C ATOM 298 O PHE A 656 2.372 -0.860 -2.918 1.00 52.30 O ATOM 299 CB PHE A 656 0.687 1.762 -1.864 1.00 30.11 C ATOM 300 CG PHE A 656 0.264 1.492 -3.279 1.00 50.22 C ATOM 301 CD1 PHE A 656 -0.156 0.228 -3.661 1.00 51.23 C ATOM 302 CD2 PHE A 656 0.287 2.501 -4.228 1.00 40.22 C ATOM 303 CE1 PHE A 656 -0.546 -0.025 -4.964 1.00 15.22 C ATOM 304 CE2 PHE A 656 -0.102 2.255 -5.531 1.00 50.21 C ATOM 305 CZ PHE A 656 -0.518 0.990 -5.900 1.00 74.24 C ATOM 0 H PHE A 656 1.931 2.043 0.244 1.00 32.05 H new ATOM 0 HA PHE A 656 0.843 -0.204 -1.011 1.00 55.23 H new ATOM 0 HB2 PHE A 656 -0.200 1.933 -1.255 1.00 30.11 H new ATOM 0 HB3 PHE A 656 1.273 2.680 -1.838 1.00 30.11 H new ATOM 0 HD1 PHE A 656 -0.179 -0.569 -2.933 1.00 51.23 H new ATOM 0 HD2 PHE A 656 0.613 3.491 -3.946 1.00 40.22 H new ATOM 0 HE1 PHE A 656 -0.872 -1.015 -5.249 1.00 15.22 H new ATOM 0 HE2 PHE A 656 -0.081 3.051 -6.261 1.00 50.21 H new ATOM 0 HZ PHE A 656 -0.821 0.795 -6.918 1.00 74.24 H new ATOM 315 N MET A 657 3.670 0.874 -2.312 1.00 22.54 N ATOM 316 CA MET A 657 4.754 0.521 -3.221 1.00 34.33 C ATOM 317 C MET A 657 5.478 -0.733 -2.742 1.00 21.31 C ATOM 318 O MET A 657 5.596 -1.712 -3.479 1.00 53.12 O ATOM 319 CB MET A 657 5.746 1.681 -3.342 1.00 10.53 C ATOM 320 CG MET A 657 5.132 2.946 -3.922 1.00 61.12 C ATOM 321 SD MET A 657 6.350 3.996 -4.738 1.00 64.11 S ATOM 322 CE MET A 657 7.367 4.481 -3.347 1.00 15.22 C ATOM 0 H MET A 657 3.842 1.711 -1.755 1.00 22.54 H new ATOM 0 HA MET A 657 4.321 0.318 -4.201 1.00 34.33 H new ATOM 0 HB2 MET A 657 6.154 1.904 -2.356 1.00 10.53 H new ATOM 0 HB3 MET A 657 6.581 1.371 -3.970 1.00 10.53 H new ATOM 0 HG2 MET A 657 4.355 2.674 -4.637 1.00 61.12 H new ATOM 0 HG3 MET A 657 4.648 3.509 -3.124 1.00 61.12 H new ATOM 0 HE1 MET A 657 7.642 5.531 -3.446 1.00 15.22 H new ATOM 0 HE2 MET A 657 6.810 4.337 -2.421 1.00 15.22 H new ATOM 0 HE3 MET A 657 8.270 3.870 -3.326 1.00 15.22 H new ATOM 332 N MET A 658 5.962 -0.696 -1.504 1.00 3.24 N ATOM 333 CA MET A 658 6.673 -1.831 -0.928 1.00 32.43 C ATOM 334 C MET A 658 5.811 -3.088 -0.964 1.00 3.22 C ATOM 335 O MET A 658 6.230 -4.126 -1.477 1.00 53.53 O ATOM 336 CB MET A 658 7.087 -1.522 0.512 1.00 53.21 C ATOM 337 CG MET A 658 8.293 -0.603 0.615 1.00 23.11 C ATOM 338 SD MET A 658 9.092 -0.684 2.229 1.00 13.12 S ATOM 339 CE MET A 658 7.668 -0.652 3.315 1.00 23.34 C ATOM 0 H MET A 658 5.875 0.107 -0.881 1.00 3.24 H new ATOM 0 HA MET A 658 7.567 -2.009 -1.525 1.00 32.43 H new ATOM 0 HB2 MET A 658 6.246 -1.064 1.032 1.00 53.21 H new ATOM 0 HB3 MET A 658 7.309 -2.457 1.026 1.00 53.21 H new ATOM 0 HG2 MET A 658 9.015 -0.869 -0.157 1.00 23.11 H new ATOM 0 HG3 MET A 658 7.981 0.423 0.419 1.00 23.11 H new ATOM 0 HE1 MET A 658 7.940 -0.176 4.257 1.00 23.34 H new ATOM 0 HE2 MET A 658 6.863 -0.089 2.843 1.00 23.34 H new ATOM 0 HE3 MET A 658 7.334 -1.672 3.507 1.00 23.34 H new ATOM 349 N LEU A 659 4.604 -2.989 -0.416 1.00 20.43 N ATOM 350 CA LEU A 659 3.682 -4.118 -0.385 1.00 64.15 C ATOM 351 C LEU A 659 3.451 -4.671 -1.788 1.00 30.32 C ATOM 352 O LEU A 659 3.547 -5.876 -2.015 1.00 4.01 O ATOM 353 CB LEU A 659 2.350 -3.698 0.235 1.00 4.42 C ATOM 354 CG LEU A 659 2.362 -3.439 1.743 1.00 63.35 C ATOM 355 CD1 LEU A 659 0.953 -3.180 2.251 1.00 13.31 C ATOM 356 CD2 LEU A 659 2.991 -4.612 2.479 1.00 53.10 C ATOM 0 H LEU A 659 4.242 -2.137 0.013 1.00 20.43 H new ATOM 0 HA LEU A 659 4.128 -4.902 0.226 1.00 64.15 H new ATOM 0 HB2 LEU A 659 2.009 -2.792 -0.266 1.00 4.42 H new ATOM 0 HB3 LEU A 659 1.614 -4.474 0.026 1.00 4.42 H new ATOM 0 HG LEU A 659 2.963 -2.551 1.936 1.00 63.35 H new ATOM 0 HD11 LEU A 659 0.981 -2.998 3.325 1.00 13.31 H new ATOM 0 HD12 LEU A 659 0.539 -2.307 1.746 1.00 13.31 H new ATOM 0 HD13 LEU A 659 0.327 -4.049 2.047 1.00 13.31 H new ATOM 0 HD21 LEU A 659 2.992 -4.411 3.550 1.00 53.10 H new ATOM 0 HD22 LEU A 659 2.417 -5.517 2.280 1.00 53.10 H new ATOM 0 HD23 LEU A 659 4.016 -4.750 2.135 1.00 53.10 H new ATOM 368 N GLY A 660 3.147 -3.780 -2.728 1.00 35.53 N ATOM 369 CA GLY A 660 2.910 -4.197 -4.097 1.00 42.23 C ATOM 370 C GLY A 660 4.118 -4.869 -4.717 1.00 73.31 C ATOM 371 O GLY A 660 4.018 -5.972 -5.252 1.00 62.31 O ATOM 0 H GLY A 660 3.061 -2.777 -2.565 1.00 35.53 H new ATOM 0 HA2 GLY A 660 2.064 -4.883 -4.123 1.00 42.23 H new ATOM 0 HA3 GLY A 660 2.635 -3.329 -4.695 1.00 42.23 H new ATOM 375 N GLY A 661 5.267 -4.201 -4.646 1.00 2.01 N ATOM 376 CA GLY A 661 6.483 -4.755 -5.210 1.00 71.52 C ATOM 377 C GLY A 661 6.949 -5.997 -4.478 1.00 43.41 C ATOM 378 O GLY A 661 7.535 -6.899 -5.078 1.00 74.41 O ATOM 0 H GLY A 661 5.376 -3.286 -4.208 1.00 2.01 H new ATOM 0 HA2 GLY A 661 6.315 -4.997 -6.259 1.00 71.52 H new ATOM 0 HA3 GLY A 661 7.270 -4.002 -5.178 1.00 71.52 H new ATOM 382 N THR A 662 6.689 -6.048 -3.175 1.00 1.03 N ATOM 383 CA THR A 662 7.087 -7.188 -2.359 1.00 22.32 C ATOM 384 C THR A 662 6.205 -8.399 -2.639 1.00 41.12 C ATOM 385 O THR A 662 6.701 -9.482 -2.949 1.00 24.50 O ATOM 386 CB THR A 662 7.019 -6.855 -0.857 1.00 21.54 C ATOM 387 OG1 THR A 662 7.993 -5.856 -0.533 1.00 34.34 O ATOM 388 CG2 THR A 662 7.261 -8.098 -0.015 1.00 72.21 C ATOM 0 H THR A 662 6.204 -5.312 -2.662 1.00 1.03 H new ATOM 0 HA THR A 662 8.118 -7.423 -2.626 1.00 22.32 H new ATOM 0 HB THR A 662 6.021 -6.475 -0.636 1.00 21.54 H new ATOM 0 HG1 THR A 662 7.654 -4.973 -0.790 1.00 34.34 H new ATOM 0 HG21 THR A 662 7.208 -7.837 1.042 1.00 72.21 H new ATOM 0 HG22 THR A 662 6.501 -8.846 -0.243 1.00 72.21 H new ATOM 0 HG23 THR A 662 8.248 -8.503 -0.240 1.00 72.21 H new ATOM 396 N PHE A 663 4.895 -8.210 -2.529 1.00 14.02 N ATOM 397 CA PHE A 663 3.944 -9.288 -2.769 1.00 5.41 C ATOM 398 C PHE A 663 4.163 -9.909 -4.146 1.00 75.00 C ATOM 399 O PHE A 663 4.354 -11.120 -4.270 1.00 2.32 O ATOM 400 CB PHE A 663 2.510 -8.766 -2.656 1.00 40.51 C ATOM 401 CG PHE A 663 1.543 -9.782 -2.115 1.00 21.22 C ATOM 402 CD1 PHE A 663 1.423 -11.028 -2.709 1.00 73.03 C ATOM 403 CD2 PHE A 663 0.754 -9.490 -1.015 1.00 34.20 C ATOM 404 CE1 PHE A 663 0.536 -11.965 -2.214 1.00 11.13 C ATOM 405 CE2 PHE A 663 -0.135 -10.422 -0.515 1.00 41.23 C ATOM 406 CZ PHE A 663 -0.245 -11.661 -1.116 1.00 64.24 C ATOM 0 H PHE A 663 4.467 -7.319 -2.275 1.00 14.02 H new ATOM 0 HA PHE A 663 4.105 -10.056 -2.013 1.00 5.41 H new ATOM 0 HB2 PHE A 663 2.501 -7.888 -2.010 1.00 40.51 H new ATOM 0 HB3 PHE A 663 2.171 -8.442 -3.640 1.00 40.51 H new ATOM 0 HD1 PHE A 663 2.030 -11.270 -3.569 1.00 73.03 H new ATOM 0 HD2 PHE A 663 0.835 -8.522 -0.542 1.00 34.20 H new ATOM 0 HE1 PHE A 663 0.454 -12.933 -2.685 1.00 11.13 H new ATOM 0 HE2 PHE A 663 -0.743 -10.182 0.345 1.00 41.23 H new ATOM 0 HZ PHE A 663 -0.940 -12.391 -0.728 1.00 64.24 H new ATOM 416 N LEU A 664 4.133 -9.073 -5.177 1.00 21.44 N ATOM 417 CA LEU A 664 4.329 -9.538 -6.546 1.00 1.34 C ATOM 418 C LEU A 664 5.665 -10.259 -6.690 1.00 65.51 C ATOM 419 O LEU A 664 5.728 -11.373 -7.211 1.00 61.43 O ATOM 420 CB LEU A 664 4.263 -8.361 -7.520 1.00 44.14 C ATOM 421 CG LEU A 664 2.910 -7.657 -7.632 1.00 2.21 C ATOM 422 CD1 LEU A 664 2.879 -6.751 -8.853 1.00 12.03 C ATOM 423 CD2 LEU A 664 1.782 -8.676 -7.693 1.00 43.04 C ATOM 0 H LEU A 664 3.975 -8.069 -5.092 1.00 21.44 H new ATOM 0 HA LEU A 664 3.531 -10.241 -6.782 1.00 1.34 H new ATOM 0 HB2 LEU A 664 5.009 -7.625 -7.220 1.00 44.14 H new ATOM 0 HB3 LEU A 664 4.547 -8.718 -8.510 1.00 44.14 H new ATOM 0 HG LEU A 664 2.768 -7.041 -6.744 1.00 2.21 H new ATOM 0 HD11 LEU A 664 1.909 -6.259 -8.916 1.00 12.03 H new ATOM 0 HD12 LEU A 664 3.663 -5.998 -8.768 1.00 12.03 H new ATOM 0 HD13 LEU A 664 3.043 -7.346 -9.752 1.00 12.03 H new ATOM 0 HD21 LEU A 664 0.827 -8.157 -7.772 1.00 43.04 H new ATOM 0 HD22 LEU A 664 1.919 -9.319 -8.562 1.00 43.04 H new ATOM 0 HD23 LEU A 664 1.791 -9.283 -6.788 1.00 43.04 H new ATOM 435 N TYR A 665 6.731 -9.617 -6.225 1.00 21.32 N ATOM 436 CA TYR A 665 8.066 -10.195 -6.303 1.00 74.22 C ATOM 437 C TYR A 665 8.117 -11.546 -5.595 1.00 32.41 C ATOM 438 O TYR A 665 8.648 -12.520 -6.129 1.00 20.25 O ATOM 439 CB TYR A 665 9.094 -9.245 -5.686 1.00 33.34 C ATOM 440 CG TYR A 665 10.421 -9.903 -5.381 1.00 25.53 C ATOM 441 CD1 TYR A 665 10.649 -10.518 -4.156 1.00 24.53 C ATOM 442 CD2 TYR A 665 11.447 -9.908 -6.318 1.00 64.23 C ATOM 443 CE1 TYR A 665 11.860 -11.119 -3.874 1.00 33.33 C ATOM 444 CE2 TYR A 665 12.661 -10.508 -6.046 1.00 35.14 C ATOM 445 CZ TYR A 665 12.863 -11.111 -4.822 1.00 53.24 C ATOM 446 OH TYR A 665 14.071 -11.709 -4.545 1.00 52.42 O ATOM 0 H TYR A 665 6.696 -8.695 -5.790 1.00 21.32 H new ATOM 0 HA TYR A 665 8.307 -10.346 -7.355 1.00 74.22 H new ATOM 0 HB2 TYR A 665 9.260 -8.411 -6.367 1.00 33.34 H new ATOM 0 HB3 TYR A 665 8.685 -8.828 -4.766 1.00 33.34 H new ATOM 0 HD1 TYR A 665 9.866 -10.526 -3.412 1.00 24.53 H new ATOM 0 HD2 TYR A 665 11.292 -9.434 -7.276 1.00 64.23 H new ATOM 0 HE1 TYR A 665 12.021 -11.593 -2.917 1.00 33.33 H new ATOM 0 HE2 TYR A 665 13.447 -10.505 -6.787 1.00 35.14 H new ATOM 0 HH TYR A 665 14.667 -11.616 -5.317 1.00 52.42 H new ATOM 456 N TRP A 666 7.560 -11.595 -4.391 1.00 74.24 N ATOM 457 CA TRP A 666 7.540 -12.827 -3.608 1.00 14.13 C ATOM 458 C TRP A 666 6.820 -13.939 -4.362 1.00 55.21 C ATOM 459 O TRP A 666 7.354 -15.036 -4.525 1.00 3.40 O ATOM 460 CB TRP A 666 6.862 -12.587 -2.258 1.00 24.24 C ATOM 461 CG TRP A 666 7.470 -13.376 -1.139 1.00 40.11 C ATOM 462 CD1 TRP A 666 8.604 -13.069 -0.441 1.00 11.35 C ATOM 463 CD2 TRP A 666 6.978 -14.603 -0.590 1.00 74.04 C ATOM 464 NE1 TRP A 666 8.846 -14.033 0.509 1.00 24.02 N ATOM 465 CE2 TRP A 666 7.863 -14.984 0.438 1.00 71.31 C ATOM 466 CE3 TRP A 666 5.876 -15.417 -0.866 1.00 35.41 C ATOM 467 CZ2 TRP A 666 7.678 -16.142 1.188 1.00 42.44 C ATOM 468 CZ3 TRP A 666 5.694 -16.566 -0.121 1.00 41.02 C ATOM 469 CH2 TRP A 666 6.590 -16.921 0.897 1.00 25.50 C ATOM 0 H TRP A 666 7.116 -10.798 -3.935 1.00 74.24 H new ATOM 0 HA TRP A 666 8.571 -13.137 -3.438 1.00 14.13 H new ATOM 0 HB2 TRP A 666 6.916 -11.526 -2.016 1.00 24.24 H new ATOM 0 HB3 TRP A 666 5.805 -12.841 -2.340 1.00 24.24 H new ATOM 0 HD1 TRP A 666 9.219 -12.198 -0.611 1.00 11.35 H new ATOM 0 HE1 TRP A 666 9.630 -14.039 1.161 1.00 24.02 H new ATOM 0 HE3 TRP A 666 5.179 -15.153 -1.648 1.00 35.41 H new ATOM 0 HZ2 TRP A 666 8.368 -16.416 1.972 1.00 42.44 H new ATOM 0 HZ3 TRP A 666 4.846 -17.202 -0.327 1.00 41.02 H new ATOM 0 HH2 TRP A 666 6.419 -17.825 1.462 1.00 25.50 H new ATOM 480 N ARG A 667 5.607 -13.649 -4.819 1.00 22.20 N ATOM 481 CA ARG A 667 4.814 -14.626 -5.555 1.00 31.22 C ATOM 482 C ARG A 667 5.613 -15.212 -6.715 1.00 53.53 C ATOM 483 O ARG A 667 5.500 -16.398 -7.024 1.00 11.24 O ATOM 484 CB ARG A 667 3.530 -13.981 -6.081 1.00 45.45 C ATOM 485 CG ARG A 667 2.409 -13.931 -5.056 1.00 43.42 C ATOM 486 CD ARG A 667 1.269 -13.037 -5.519 1.00 35.41 C ATOM 487 NE ARG A 667 0.476 -13.663 -6.573 1.00 73.30 N ATOM 488 CZ ARG A 667 -0.480 -14.556 -6.340 1.00 62.35 C ATOM 489 NH1 ARG A 667 -0.759 -14.926 -5.098 1.00 24.22 N ATOM 490 NH2 ARG A 667 -1.159 -15.081 -7.353 1.00 51.01 N ATOM 0 H ARG A 667 5.151 -12.745 -4.693 1.00 22.20 H new ATOM 0 HA ARG A 667 4.553 -15.434 -4.871 1.00 31.22 H new ATOM 0 HB2 ARG A 667 3.753 -12.967 -6.413 1.00 45.45 H new ATOM 0 HB3 ARG A 667 3.187 -14.535 -6.955 1.00 45.45 H new ATOM 0 HG2 ARG A 667 2.033 -14.938 -4.877 1.00 43.42 H new ATOM 0 HG3 ARG A 667 2.799 -13.563 -4.107 1.00 43.42 H new ATOM 0 HD2 ARG A 667 0.625 -12.803 -4.671 1.00 35.41 H new ATOM 0 HD3 ARG A 667 1.674 -12.092 -5.882 1.00 35.41 H new ATOM 0 HE ARG A 667 0.666 -13.401 -7.540 1.00 73.30 H new ATOM 0 HH11 ARG A 667 -0.239 -14.525 -4.317 1.00 24.22 H new ATOM 0 HH12 ARG A 667 -1.494 -15.612 -4.923 1.00 24.22 H new ATOM 0 HH21 ARG A 667 -0.947 -14.799 -8.310 1.00 51.01 H new ATOM 0 HH22 ARG A 667 -1.893 -15.767 -7.174 1.00 51.01 H new ATOM 504 N GLY A 668 6.422 -14.373 -7.354 1.00 75.41 N ATOM 505 CA GLY A 668 7.228 -14.826 -8.473 1.00 34.54 C ATOM 506 C GLY A 668 8.456 -15.595 -8.028 1.00 65.35 C ATOM 507 O GLY A 668 8.648 -16.748 -8.417 1.00 74.32 O ATOM 0 H GLY A 668 6.534 -13.387 -7.117 1.00 75.41 H new ATOM 0 HA2 GLY A 668 6.622 -15.459 -9.121 1.00 34.54 H new ATOM 0 HA3 GLY A 668 7.537 -13.965 -9.066 1.00 34.54 H new ATOM 511 N ARG A 669 9.290 -14.958 -7.214 1.00 30.24 N ATOM 512 CA ARG A 669 10.507 -15.588 -6.719 1.00 74.12 C ATOM 513 C ARG A 669 10.198 -16.934 -6.072 1.00 12.30 C ATOM 514 O ARG A 669 11.042 -17.829 -6.040 1.00 62.42 O ATOM 515 CB ARG A 669 11.208 -14.675 -5.711 1.00 63.13 C ATOM 516 CG ARG A 669 10.645 -14.777 -4.303 1.00 1.33 C ATOM 517 CD ARG A 669 11.417 -15.784 -3.466 1.00 42.33 C ATOM 518 NE ARG A 669 12.639 -15.211 -2.908 1.00 4.03 N ATOM 519 CZ ARG A 669 12.661 -14.433 -1.832 1.00 10.03 C ATOM 520 NH1 ARG A 669 11.534 -14.138 -1.200 1.00 15.41 N ATOM 521 NH2 ARG A 669 13.813 -13.949 -1.385 1.00 23.11 N ATOM 0 H ARG A 669 9.145 -14.004 -6.883 1.00 30.24 H new ATOM 0 HA ARG A 669 11.169 -15.755 -7.568 1.00 74.12 H new ATOM 0 HB2 ARG A 669 12.270 -14.921 -5.687 1.00 63.13 H new ATOM 0 HB3 ARG A 669 11.128 -13.643 -6.051 1.00 63.13 H new ATOM 0 HG2 ARG A 669 10.682 -13.799 -3.823 1.00 1.33 H new ATOM 0 HG3 ARG A 669 9.596 -15.069 -4.350 1.00 1.33 H new ATOM 0 HD2 ARG A 669 10.783 -16.144 -2.656 1.00 42.33 H new ATOM 0 HD3 ARG A 669 11.670 -16.648 -4.081 1.00 42.33 H new ATOM 0 HE ARG A 669 13.524 -15.420 -3.370 1.00 4.03 H new ATOM 0 HH11 ARG A 669 10.647 -14.509 -1.540 1.00 15.41 H new ATOM 0 HH12 ARG A 669 11.554 -13.540 -0.374 1.00 15.41 H new ATOM 0 HH21 ARG A 669 14.683 -14.174 -1.868 1.00 23.11 H new ATOM 0 HH22 ARG A 669 13.829 -13.352 -0.558 1.00 23.11 H new ATOM 535 N ARG A 670 8.980 -17.071 -5.555 1.00 42.41 N ATOM 536 CA ARG A 670 8.559 -18.307 -4.907 1.00 43.04 C ATOM 537 C ARG A 670 7.865 -19.233 -5.901 1.00 11.11 C ATOM 538 O ARG A 670 7.853 -20.452 -5.727 1.00 72.33 O ATOM 539 CB ARG A 670 7.620 -18.000 -3.739 1.00 74.25 C ATOM 540 CG ARG A 670 8.330 -17.429 -2.521 1.00 63.21 C ATOM 541 CD ARG A 670 9.351 -18.407 -1.961 1.00 61.00 C ATOM 542 NE ARG A 670 9.087 -18.731 -0.561 1.00 61.11 N ATOM 543 CZ ARG A 670 8.211 -19.650 -0.172 1.00 20.12 C ATOM 544 NH1 ARG A 670 7.517 -20.333 -1.072 1.00 75.51 N ATOM 545 NH2 ARG A 670 8.027 -19.888 1.121 1.00 30.34 N ATOM 0 H ARG A 670 8.268 -16.341 -5.573 1.00 42.41 H new ATOM 0 HA ARG A 670 9.448 -18.810 -4.528 1.00 43.04 H new ATOM 0 HB2 ARG A 670 6.860 -17.293 -4.071 1.00 74.25 H new ATOM 0 HB3 ARG A 670 7.101 -18.914 -3.451 1.00 74.25 H new ATOM 0 HG2 ARG A 670 8.827 -16.498 -2.792 1.00 63.21 H new ATOM 0 HG3 ARG A 670 7.597 -17.187 -1.752 1.00 63.21 H new ATOM 0 HD2 ARG A 670 9.340 -19.322 -2.553 1.00 61.00 H new ATOM 0 HD3 ARG A 670 10.350 -17.980 -2.052 1.00 61.00 H new ATOM 0 HE ARG A 670 9.604 -18.223 0.157 1.00 61.11 H new ATOM 0 HH11 ARG A 670 7.655 -20.153 -2.066 1.00 75.51 H new ATOM 0 HH12 ARG A 670 6.845 -21.038 -0.770 1.00 75.51 H new ATOM 0 HH21 ARG A 670 8.559 -19.365 1.817 1.00 30.34 H new ATOM 0 HH22 ARG A 670 7.354 -20.594 1.419 1.00 30.34 H new ATOM 559 N HIS A 671 7.286 -18.646 -6.945 1.00 74.25 N ATOM 560 CA HIS A 671 6.590 -19.419 -7.967 1.00 72.53 C ATOM 561 C HIS A 671 7.544 -20.390 -8.658 1.00 24.23 C ATOM 562 O HIS A 671 7.189 -21.537 -8.929 1.00 14.22 O ATOM 563 CB HIS A 671 5.957 -18.485 -8.999 1.00 50.15 C ATOM 564 CG HIS A 671 4.466 -18.408 -8.901 1.00 3.45 C ATOM 565 ND1 HIS A 671 3.758 -17.240 -9.098 1.00 43.42 N ATOM 566 CD2 HIS A 671 3.545 -19.361 -8.626 1.00 30.01 C ATOM 567 CE1 HIS A 671 2.468 -17.479 -8.948 1.00 15.05 C ATOM 568 NE2 HIS A 671 2.311 -18.759 -8.661 1.00 34.35 N ATOM 0 H HIS A 671 7.285 -17.639 -7.105 1.00 74.25 H new ATOM 0 HA HIS A 671 5.804 -19.996 -7.480 1.00 72.53 H new ATOM 0 HB2 HIS A 671 6.373 -17.485 -8.876 1.00 50.15 H new ATOM 0 HB3 HIS A 671 6.230 -18.823 -9.999 1.00 50.15 H new ATOM 0 HD2 HIS A 671 3.744 -20.402 -8.418 1.00 30.01 H new ATOM 0 HE1 HIS A 671 1.676 -16.751 -9.044 1.00 15.05 H new ATOM 0 HE2 HIS A 671 1.419 -19.224 -8.493 1.00 34.35 H new ATOM 576 N HIS A 672 8.755 -19.921 -8.941 1.00 3.11 N ATOM 577 CA HIS A 672 9.759 -20.747 -9.601 1.00 73.15 C ATOM 578 C HIS A 672 10.872 -21.130 -8.630 1.00 32.54 C ATOM 579 O HIS A 672 11.180 -20.385 -7.699 1.00 14.43 O ATOM 580 CB HIS A 672 10.347 -20.009 -10.804 1.00 61.35 C ATOM 581 CG HIS A 672 10.686 -20.910 -11.953 1.00 15.34 C ATOM 582 ND1 HIS A 672 11.739 -21.801 -11.925 1.00 4.42 N ATOM 583 CD2 HIS A 672 10.103 -21.055 -13.165 1.00 1.14 C ATOM 584 CE1 HIS A 672 11.789 -22.454 -13.073 1.00 14.03 C ATOM 585 NE2 HIS A 672 10.807 -22.021 -13.843 1.00 33.55 N ATOM 0 H HIS A 672 9.065 -18.974 -8.724 1.00 3.11 H new ATOM 0 HA HIS A 672 9.273 -21.659 -9.946 1.00 73.15 H new ATOM 0 HB2 HIS A 672 9.635 -19.256 -11.141 1.00 61.35 H new ATOM 0 HB3 HIS A 672 11.247 -19.479 -10.491 1.00 61.35 H new ATOM 0 HD2 HIS A 672 9.244 -20.513 -13.532 1.00 1.14 H new ATOM 0 HE1 HIS A 672 12.511 -23.213 -13.337 1.00 14.03 H new ATOM 0 HE2 HIS A 672 10.604 -22.350 -14.787 1.00 33.55 H new ATOM 593 N HIS A 673 11.472 -22.294 -8.853 1.00 64.22 N ATOM 594 CA HIS A 673 12.552 -22.774 -7.998 1.00 12.51 C ATOM 595 C HIS A 673 13.868 -22.838 -8.767 1.00 11.55 C ATOM 596 O HIS A 673 14.022 -23.640 -9.688 1.00 23.34 O ATOM 597 CB HIS A 673 12.209 -24.154 -7.435 1.00 5.22 C ATOM 598 CG HIS A 673 10.982 -24.163 -6.576 1.00 2.12 C ATOM 599 ND1 HIS A 673 9.737 -24.522 -7.047 1.00 3.03 N ATOM 600 CD2 HIS A 673 10.815 -23.856 -5.269 1.00 52.50 C ATOM 601 CE1 HIS A 673 8.856 -24.433 -6.066 1.00 3.34 C ATOM 602 NE2 HIS A 673 9.484 -24.032 -4.976 1.00 53.44 N ATOM 0 H HIS A 673 11.229 -22.923 -9.618 1.00 64.22 H new ATOM 0 HA HIS A 673 12.669 -22.071 -7.173 1.00 12.51 H new ATOM 0 HB2 HIS A 673 12.068 -24.850 -8.262 1.00 5.22 H new ATOM 0 HB3 HIS A 673 13.054 -24.519 -6.851 1.00 5.22 H new ATOM 0 HD2 HIS A 673 11.584 -23.533 -4.584 1.00 52.50 H new ATOM 0 HE1 HIS A 673 7.801 -24.651 -6.143 1.00 3.34 H new ATOM 0 HE2 HIS A 673 9.052 -23.878 -4.065 1.00 53.44 H new ATOM 610 N HIS A 674 14.814 -21.987 -8.382 1.00 63.23 N ATOM 611 CA HIS A 674 16.118 -21.947 -9.036 1.00 12.35 C ATOM 612 C HIS A 674 17.093 -22.905 -8.361 1.00 73.25 C ATOM 613 O HIS A 674 17.235 -22.905 -7.138 1.00 1.02 O ATOM 614 CB HIS A 674 16.680 -20.525 -9.010 1.00 72.31 C ATOM 615 CG HIS A 674 16.334 -19.721 -10.225 1.00 1.10 C ATOM 616 ND1 HIS A 674 16.938 -18.521 -10.531 1.00 20.24 N ATOM 617 CD2 HIS A 674 15.441 -19.954 -11.216 1.00 14.15 C ATOM 618 CE1 HIS A 674 16.430 -18.048 -11.656 1.00 35.14 C ATOM 619 NE2 HIS A 674 15.520 -18.899 -12.091 1.00 42.22 N ATOM 0 H HIS A 674 14.703 -21.317 -7.621 1.00 63.23 H new ATOM 0 HA HIS A 674 15.988 -22.260 -10.072 1.00 12.35 H new ATOM 0 HB2 HIS A 674 16.304 -20.011 -8.125 1.00 72.31 H new ATOM 0 HB3 HIS A 674 17.765 -20.574 -8.914 1.00 72.31 H new ATOM 0 HD2 HIS A 674 14.788 -20.810 -11.302 1.00 14.15 H new ATOM 0 HE1 HIS A 674 16.712 -17.123 -12.137 1.00 35.14 H new ATOM 0 HE2 HIS A 674 14.965 -18.791 -12.940 1.00 42.22 H new ATOM 627 N HIS A 675 17.765 -23.723 -9.167 1.00 34.25 N ATOM 628 CA HIS A 675 18.728 -24.687 -8.647 1.00 53.11 C ATOM 629 C HIS A 675 19.967 -23.980 -8.106 1.00 63.04 C ATOM 630 O HIS A 675 20.353 -24.175 -6.953 1.00 50.55 O ATOM 631 CB HIS A 675 19.128 -25.679 -9.740 1.00 22.44 C ATOM 632 CG HIS A 675 19.934 -26.835 -9.233 1.00 34.10 C ATOM 633 ND1 HIS A 675 21.276 -26.994 -9.504 1.00 31.21 N ATOM 634 CD2 HIS A 675 19.579 -27.893 -8.466 1.00 21.23 C ATOM 635 CE1 HIS A 675 21.713 -28.099 -8.927 1.00 41.31 C ATOM 636 NE2 HIS A 675 20.702 -28.663 -8.291 1.00 73.34 N ATOM 0 H HIS A 675 17.660 -23.737 -10.181 1.00 34.25 H new ATOM 0 HA HIS A 675 18.256 -25.230 -7.828 1.00 53.11 H new ATOM 0 HB2 HIS A 675 18.227 -26.058 -10.222 1.00 22.44 H new ATOM 0 HB3 HIS A 675 19.702 -25.154 -10.504 1.00 22.44 H new ATOM 0 HD2 HIS A 675 18.596 -28.094 -8.066 1.00 21.23 H new ATOM 0 HE1 HIS A 675 22.724 -28.477 -8.968 1.00 41.31 H new ATOM 0 HE2 HIS A 675 20.748 -29.530 -7.756 1.00 73.34 H new ATOM 644 N HIS A 676 20.588 -23.158 -8.947 1.00 15.32 N ATOM 645 CA HIS A 676 21.783 -22.421 -8.553 1.00 74.24 C ATOM 646 C HIS A 676 21.414 -21.095 -7.896 1.00 11.31 C ATOM 647 O HIS A 676 20.334 -20.571 -8.166 1.00 75.12 O ATOM 648 CB HIS A 676 22.677 -22.171 -9.768 1.00 71.32 C ATOM 649 CG HIS A 676 23.622 -23.295 -10.059 1.00 73.33 C ATOM 650 ND1 HIS A 676 24.687 -23.178 -10.927 1.00 52.02 N ATOM 651 CD2 HIS A 676 23.660 -24.565 -9.590 1.00 31.34 C ATOM 652 CE1 HIS A 676 25.337 -24.326 -10.981 1.00 74.14 C ATOM 653 NE2 HIS A 676 24.735 -25.185 -10.178 1.00 10.11 N ATOM 0 H HIS A 676 20.283 -22.986 -9.905 1.00 15.32 H new ATOM 0 HA HIS A 676 22.328 -23.025 -7.828 1.00 74.24 H new ATOM 0 HB2 HIS A 676 22.048 -22.001 -10.642 1.00 71.32 H new ATOM 0 HB3 HIS A 676 23.250 -21.258 -9.605 1.00 71.32 H new ATOM 0 HD2 HIS A 676 22.973 -25.008 -8.885 1.00 31.34 H new ATOM 0 HE1 HIS A 676 26.212 -24.528 -11.580 1.00 74.14 H new ATOM 0 HE2 HIS A 676 25.022 -26.151 -10.020 1.00 10.11 H new TER 661 HIS A 676 ATOM 662 N MET B 637 -11.921 30.420 6.068 1.00 24.11 N ATOM 663 CA MET B 637 -10.980 31.534 6.124 1.00 13.31 C ATOM 664 C MET B 637 -9.680 31.184 5.409 1.00 64.25 C ATOM 665 O MET B 637 -8.623 31.732 5.717 1.00 23.23 O ATOM 666 CB MET B 637 -10.690 31.910 7.578 1.00 33.14 C ATOM 667 CG MET B 637 -10.509 33.405 7.794 1.00 73.35 C ATOM 668 SD MET B 637 -11.965 34.185 8.514 1.00 4.44 S ATOM 669 CE MET B 637 -11.829 35.840 7.844 1.00 33.10 C ATOM 0 HA MET B 637 -11.434 32.386 5.618 1.00 13.31 H new ATOM 0 HB2 MET B 637 -11.508 31.557 8.206 1.00 33.14 H new ATOM 0 HB3 MET B 637 -9.789 31.392 7.906 1.00 33.14 H new ATOM 0 HG2 MET B 637 -9.652 33.573 8.446 1.00 73.35 H new ATOM 0 HG3 MET B 637 -10.281 33.881 6.840 1.00 73.35 H new ATOM 0 HE1 MET B 637 -12.662 36.446 8.200 1.00 33.10 H new ATOM 0 HE2 MET B 637 -10.890 36.288 8.168 1.00 33.10 H new ATOM 0 HE3 MET B 637 -11.853 35.795 6.755 1.00 33.10 H new ATOM 679 N GLY B 638 -9.765 30.267 4.449 1.00 12.41 N ATOM 680 CA GLY B 638 -8.588 29.859 3.705 1.00 22.44 C ATOM 681 C GLY B 638 -8.406 28.354 3.686 1.00 23.33 C ATOM 682 O GLY B 638 -7.649 27.804 4.485 1.00 12.23 O ATOM 0 H GLY B 638 -10.629 29.800 4.174 1.00 12.41 H new ATOM 0 HA2 GLY B 638 -8.664 30.225 2.681 1.00 22.44 H new ATOM 0 HA3 GLY B 638 -7.705 30.323 4.145 1.00 22.44 H new ATOM 686 N ARG B 639 -9.102 27.688 2.771 1.00 54.43 N ATOM 687 CA ARG B 639 -9.016 26.237 2.653 1.00 1.14 C ATOM 688 C ARG B 639 -9.351 25.786 1.235 1.00 23.22 C ATOM 689 O ARG B 639 -10.516 25.567 0.899 1.00 35.05 O ATOM 690 CB ARG B 639 -9.962 25.566 3.650 1.00 74.32 C ATOM 691 CG ARG B 639 -9.480 25.639 5.090 1.00 51.51 C ATOM 692 CD ARG B 639 -10.073 26.837 5.815 1.00 11.04 C ATOM 693 NE ARG B 639 -10.918 26.436 6.937 1.00 51.03 N ATOM 694 CZ ARG B 639 -11.229 27.240 7.947 1.00 13.43 C ATOM 695 NH1 ARG B 639 -10.768 28.483 7.976 1.00 64.20 N ATOM 696 NH2 ARG B 639 -12.004 26.801 8.931 1.00 60.10 N ATOM 0 H ARG B 639 -9.732 28.129 2.101 1.00 54.43 H new ATOM 0 HA ARG B 639 -7.992 25.940 2.878 1.00 1.14 H new ATOM 0 HB2 ARG B 639 -10.943 26.036 3.580 1.00 74.32 H new ATOM 0 HB3 ARG B 639 -10.089 24.520 3.371 1.00 74.32 H new ATOM 0 HG2 ARG B 639 -9.754 24.723 5.614 1.00 51.51 H new ATOM 0 HG3 ARG B 639 -8.392 25.703 5.108 1.00 51.51 H new ATOM 0 HD2 ARG B 639 -9.268 27.476 6.178 1.00 11.04 H new ATOM 0 HD3 ARG B 639 -10.659 27.431 5.114 1.00 11.04 H new ATOM 0 HE ARG B 639 -11.290 25.486 6.945 1.00 51.03 H new ATOM 0 HH11 ARG B 639 -10.173 28.824 7.221 1.00 64.20 H new ATOM 0 HH12 ARG B 639 -11.009 29.098 8.753 1.00 64.20 H new ATOM 0 HH21 ARG B 639 -12.361 25.846 8.912 1.00 60.10 H new ATOM 0 HH22 ARG B 639 -12.243 27.419 9.707 1.00 60.10 H new ATOM 710 N THR B 640 -8.323 25.650 0.403 1.00 72.32 N ATOM 711 CA THR B 640 -8.508 25.227 -0.979 1.00 30.42 C ATOM 712 C THR B 640 -7.562 24.087 -1.337 1.00 31.42 C ATOM 713 O THR B 640 -7.986 23.056 -1.859 1.00 45.34 O ATOM 714 CB THR B 640 -8.281 26.394 -1.958 1.00 24.24 C ATOM 715 OG1 THR B 640 -9.183 27.466 -1.661 1.00 63.41 O ATOM 716 CG2 THR B 640 -8.481 25.941 -3.397 1.00 54.51 C ATOM 0 H THR B 640 -7.353 25.827 0.663 1.00 72.32 H new ATOM 0 HA THR B 640 -9.538 24.882 -1.069 1.00 30.42 H new ATOM 0 HB THR B 640 -7.254 26.741 -1.842 1.00 24.24 H new ATOM 0 HG1 THR B 640 -9.031 28.205 -2.287 1.00 63.41 H new ATOM 0 HG21 THR B 640 -8.315 26.782 -4.070 1.00 54.51 H new ATOM 0 HG22 THR B 640 -7.773 25.145 -3.630 1.00 54.51 H new ATOM 0 HG23 THR B 640 -9.498 25.570 -3.524 1.00 54.51 H new ATOM 724 N HIS B 641 -6.278 24.278 -1.052 1.00 21.30 N ATOM 725 CA HIS B 641 -5.271 23.264 -1.344 1.00 71.02 C ATOM 726 C HIS B 641 -5.524 21.998 -0.530 1.00 34.45 C ATOM 727 O HIS B 641 -4.932 20.950 -0.792 1.00 32.54 O ATOM 728 CB HIS B 641 -3.871 23.804 -1.047 1.00 52.41 C ATOM 729 CG HIS B 641 -3.557 23.881 0.415 1.00 23.12 C ATOM 730 ND1 HIS B 641 -3.175 22.786 1.161 1.00 73.03 N ATOM 731 CD2 HIS B 641 -3.567 24.931 1.269 1.00 72.40 C ATOM 732 CE1 HIS B 641 -2.965 23.159 2.412 1.00 4.01 C ATOM 733 NE2 HIS B 641 -3.196 24.456 2.503 1.00 22.44 N ATOM 0 H HIS B 641 -5.910 25.125 -0.619 1.00 21.30 H new ATOM 0 HA HIS B 641 -5.338 23.014 -2.403 1.00 71.02 H new ATOM 0 HB2 HIS B 641 -3.134 23.167 -1.536 1.00 52.41 H new ATOM 0 HB3 HIS B 641 -3.773 24.798 -1.484 1.00 52.41 H new ATOM 0 HD2 HIS B 641 -3.820 25.952 1.025 1.00 72.40 H new ATOM 0 HE1 HIS B 641 -2.657 22.513 3.221 1.00 4.01 H new ATOM 0 HE2 HIS B 641 -3.112 25.015 3.352 1.00 22.44 H new ATOM 741 N LEU B 642 -6.405 22.103 0.459 1.00 51.25 N ATOM 742 CA LEU B 642 -6.736 20.966 1.313 1.00 25.42 C ATOM 743 C LEU B 642 -7.545 19.926 0.544 1.00 32.31 C ATOM 744 O LEU B 642 -7.436 18.726 0.800 1.00 20.41 O ATOM 745 CB LEU B 642 -7.521 21.437 2.538 1.00 53.11 C ATOM 746 CG LEU B 642 -6.688 21.978 3.701 1.00 3.32 C ATOM 747 CD1 LEU B 642 -7.507 22.949 4.536 1.00 31.45 C ATOM 748 CD2 LEU B 642 -6.168 20.837 4.563 1.00 2.33 C ATOM 0 H LEU B 642 -6.903 22.963 0.690 1.00 51.25 H new ATOM 0 HA LEU B 642 -5.805 20.504 1.641 1.00 25.42 H new ATOM 0 HB2 LEU B 642 -8.216 22.215 2.222 1.00 53.11 H new ATOM 0 HB3 LEU B 642 -8.120 20.603 2.903 1.00 53.11 H new ATOM 0 HG LEU B 642 -5.832 22.514 3.291 1.00 3.32 H new ATOM 0 HD11 LEU B 642 -6.899 23.324 5.359 1.00 31.45 H new ATOM 0 HD12 LEU B 642 -7.828 23.783 3.913 1.00 31.45 H new ATOM 0 HD13 LEU B 642 -8.382 22.437 4.936 1.00 31.45 H new ATOM 0 HD21 LEU B 642 -5.578 21.242 5.385 1.00 2.33 H new ATOM 0 HD22 LEU B 642 -7.009 20.272 4.964 1.00 2.33 H new ATOM 0 HD23 LEU B 642 -5.544 20.179 3.958 1.00 2.33 H new ATOM 760 N THR B 643 -8.356 20.393 -0.400 1.00 70.50 N ATOM 761 CA THR B 643 -9.182 19.504 -1.206 1.00 5.30 C ATOM 762 C THR B 643 -8.325 18.514 -1.986 1.00 44.15 C ATOM 763 O THR B 643 -8.501 17.301 -1.872 1.00 12.31 O ATOM 764 CB THR B 643 -10.061 20.295 -2.194 1.00 33.44 C ATOM 765 OG1 THR B 643 -10.534 21.496 -1.575 1.00 11.34 O ATOM 766 CG2 THR B 643 -11.243 19.458 -2.658 1.00 54.32 C ATOM 0 H THR B 643 -8.458 21.383 -0.625 1.00 70.50 H new ATOM 0 HA THR B 643 -9.825 18.958 -0.516 1.00 5.30 H new ATOM 0 HB THR B 643 -9.454 20.549 -3.063 1.00 33.44 H new ATOM 0 HG1 THR B 643 -9.871 22.208 -1.693 1.00 11.34 H new ATOM 0 HG21 THR B 643 -11.848 20.038 -3.354 1.00 54.32 H new ATOM 0 HG22 THR B 643 -10.879 18.559 -3.155 1.00 54.32 H new ATOM 0 HG23 THR B 643 -11.850 19.176 -1.797 1.00 54.32 H new ATOM 774 N MET B 644 -7.397 19.038 -2.780 1.00 35.04 N ATOM 775 CA MET B 644 -6.511 18.199 -3.577 1.00 2.01 C ATOM 776 C MET B 644 -5.642 17.320 -2.683 1.00 35.25 C ATOM 777 O MET B 644 -5.539 16.113 -2.893 1.00 44.41 O ATOM 778 CB MET B 644 -5.626 19.064 -4.477 1.00 35.52 C ATOM 779 CG MET B 644 -6.394 19.786 -5.572 1.00 71.11 C ATOM 780 SD MET B 644 -6.532 18.810 -7.082 1.00 12.21 S ATOM 781 CE MET B 644 -8.148 18.071 -6.861 1.00 45.40 C ATOM 0 H MET B 644 -7.239 20.040 -2.888 1.00 35.04 H new ATOM 0 HA MET B 644 -7.129 17.553 -4.200 1.00 2.01 H new ATOM 0 HB2 MET B 644 -5.107 19.800 -3.863 1.00 35.52 H new ATOM 0 HB3 MET B 644 -4.862 18.435 -4.934 1.00 35.52 H new ATOM 0 HG2 MET B 644 -7.392 20.031 -5.210 1.00 71.11 H new ATOM 0 HG3 MET B 644 -5.897 20.729 -5.798 1.00 71.11 H new ATOM 0 HE1 MET B 644 -8.079 16.994 -7.011 1.00 45.40 H new ATOM 0 HE2 MET B 644 -8.506 18.274 -5.852 1.00 45.40 H new ATOM 0 HE3 MET B 644 -8.844 18.494 -7.585 1.00 45.40 H new ATOM 791 N ALA B 645 -5.019 17.937 -1.684 1.00 55.14 N ATOM 792 CA ALA B 645 -4.160 17.210 -0.756 1.00 3.22 C ATOM 793 C ALA B 645 -4.928 16.093 -0.057 1.00 52.44 C ATOM 794 O ALA B 645 -4.413 14.989 0.121 1.00 61.04 O ATOM 795 CB ALA B 645 -3.563 18.164 0.268 1.00 14.42 C ATOM 0 H ALA B 645 -5.093 18.937 -1.497 1.00 55.14 H new ATOM 0 HA ALA B 645 -3.351 16.756 -1.328 1.00 3.22 H new ATOM 0 HB1 ALA B 645 -2.924 17.608 0.954 1.00 14.42 H new ATOM 0 HB2 ALA B 645 -2.972 18.923 -0.244 1.00 14.42 H new ATOM 0 HB3 ALA B 645 -4.365 18.645 0.828 1.00 14.42 H new ATOM 801 N LEU B 646 -6.162 16.387 0.338 1.00 3.41 N ATOM 802 CA LEU B 646 -7.002 15.407 1.018 1.00 12.03 C ATOM 803 C LEU B 646 -7.266 14.201 0.123 1.00 31.44 C ATOM 804 O LEU B 646 -7.199 13.056 0.570 1.00 71.15 O ATOM 805 CB LEU B 646 -8.327 16.046 1.437 1.00 34.42 C ATOM 806 CG LEU B 646 -8.323 16.783 2.777 1.00 54.04 C ATOM 807 CD1 LEU B 646 -9.370 17.886 2.783 1.00 72.12 C ATOM 808 CD2 LEU B 646 -8.564 15.810 3.922 1.00 74.22 C ATOM 0 H LEU B 646 -6.603 17.296 0.199 1.00 3.41 H new ATOM 0 HA LEU B 646 -6.473 15.066 1.908 1.00 12.03 H new ATOM 0 HB2 LEU B 646 -8.631 16.748 0.660 1.00 34.42 H new ATOM 0 HB3 LEU B 646 -9.087 15.266 1.477 1.00 34.42 H new ATOM 0 HG LEU B 646 -7.343 17.240 2.915 1.00 54.04 H new ATOM 0 HD11 LEU B 646 -9.352 18.399 3.744 1.00 72.12 H new ATOM 0 HD12 LEU B 646 -9.152 18.598 1.987 1.00 72.12 H new ATOM 0 HD13 LEU B 646 -10.357 17.452 2.622 1.00 72.12 H new ATOM 0 HD21 LEU B 646 -8.558 16.352 4.868 1.00 74.22 H new ATOM 0 HD22 LEU B 646 -9.530 15.324 3.789 1.00 74.22 H new ATOM 0 HD23 LEU B 646 -7.777 15.056 3.931 1.00 74.22 H new ATOM 820 N THR B 647 -7.565 14.466 -1.145 1.00 31.05 N ATOM 821 CA THR B 647 -7.839 13.403 -2.104 1.00 21.31 C ATOM 822 C THR B 647 -6.638 12.476 -2.254 1.00 41.21 C ATOM 823 O THR B 647 -6.785 11.254 -2.288 1.00 44.24 O ATOM 824 CB THR B 647 -8.207 13.975 -3.487 1.00 54.52 C ATOM 825 OG1 THR B 647 -9.342 14.840 -3.371 1.00 62.35 O ATOM 826 CG2 THR B 647 -8.514 12.856 -4.471 1.00 54.52 C ATOM 0 H THR B 647 -7.624 15.408 -1.532 1.00 31.05 H new ATOM 0 HA THR B 647 -8.686 12.837 -1.716 1.00 21.31 H new ATOM 0 HB THR B 647 -7.354 14.542 -3.861 1.00 54.52 H new ATOM 0 HG1 THR B 647 -9.087 15.650 -2.882 1.00 62.35 H new ATOM 0 HG21 THR B 647 -8.771 13.284 -5.440 1.00 54.52 H new ATOM 0 HG22 THR B 647 -7.639 12.215 -4.578 1.00 54.52 H new ATOM 0 HG23 THR B 647 -9.353 12.266 -4.101 1.00 54.52 H new ATOM 834 N VAL B 648 -5.449 13.064 -2.342 1.00 62.13 N ATOM 835 CA VAL B 648 -4.223 12.289 -2.486 1.00 62.43 C ATOM 836 C VAL B 648 -4.004 11.375 -1.285 1.00 3.51 C ATOM 837 O VAL B 648 -3.794 10.171 -1.439 1.00 22.44 O ATOM 838 CB VAL B 648 -2.996 13.207 -2.648 1.00 15.10 C ATOM 839 CG1 VAL B 648 -1.718 12.383 -2.711 1.00 23.42 C ATOM 840 CG2 VAL B 648 -3.141 14.077 -3.887 1.00 2.13 C ATOM 0 H VAL B 648 -5.309 14.074 -2.316 1.00 62.13 H new ATOM 0 HA VAL B 648 -4.337 11.682 -3.384 1.00 62.43 H new ATOM 0 HB VAL B 648 -2.936 13.861 -1.778 1.00 15.10 H new ATOM 0 HG11 VAL B 648 -0.862 13.048 -2.826 1.00 23.42 H new ATOM 0 HG12 VAL B 648 -1.610 11.808 -1.791 1.00 23.42 H new ATOM 0 HG13 VAL B 648 -1.765 11.703 -3.561 1.00 23.42 H new ATOM 0 HG21 VAL B 648 -2.265 14.719 -3.985 1.00 2.13 H new ATOM 0 HG22 VAL B 648 -3.227 13.442 -4.769 1.00 2.13 H new ATOM 0 HG23 VAL B 648 -4.035 14.694 -3.796 1.00 2.13 H new ATOM 850 N ILE B 649 -4.057 11.955 -0.091 1.00 0.52 N ATOM 851 CA ILE B 649 -3.869 11.191 1.137 1.00 61.32 C ATOM 852 C ILE B 649 -4.904 10.079 1.258 1.00 60.43 C ATOM 853 O ILE B 649 -4.570 8.938 1.577 1.00 62.33 O ATOM 854 CB ILE B 649 -3.955 12.095 2.380 1.00 74.51 C ATOM 855 CG1 ILE B 649 -2.869 13.173 2.332 1.00 63.02 C ATOM 856 CG2 ILE B 649 -3.827 11.265 3.649 1.00 2.22 C ATOM 857 CD1 ILE B 649 -2.892 14.108 3.520 1.00 14.11 C ATOM 0 H ILE B 649 -4.228 12.950 0.053 1.00 0.52 H new ATOM 0 HA ILE B 649 -2.873 10.751 1.085 1.00 61.32 H new ATOM 0 HB ILE B 649 -4.928 12.586 2.386 1.00 74.51 H new ATOM 0 HG12 ILE B 649 -1.893 12.691 2.278 1.00 63.02 H new ATOM 0 HG13 ILE B 649 -2.988 13.756 1.419 1.00 63.02 H new ATOM 0 HG21 ILE B 649 -3.890 11.919 4.519 1.00 2.22 H new ATOM 0 HG22 ILE B 649 -4.633 10.532 3.687 1.00 2.22 H new ATOM 0 HG23 ILE B 649 -2.867 10.749 3.651 1.00 2.22 H new ATOM 0 HD11 ILE B 649 -2.095 14.845 3.418 1.00 14.11 H new ATOM 0 HD12 ILE B 649 -3.855 14.618 3.563 1.00 14.11 H new ATOM 0 HD13 ILE B 649 -2.743 13.536 4.436 1.00 14.11 H new ATOM 869 N ALA B 650 -6.163 10.419 0.999 1.00 60.35 N ATOM 870 CA ALA B 650 -7.247 9.447 1.076 1.00 5.03 C ATOM 871 C ALA B 650 -7.070 8.344 0.037 1.00 30.45 C ATOM 872 O ALA B 650 -7.338 7.175 0.308 1.00 40.43 O ATOM 873 CB ALA B 650 -8.589 10.139 0.889 1.00 24.40 C ATOM 0 H ALA B 650 -6.457 11.359 0.734 1.00 60.35 H new ATOM 0 HA ALA B 650 -7.221 8.987 2.064 1.00 5.03 H new ATOM 0 HB1 ALA B 650 -9.390 9.402 0.949 1.00 24.40 H new ATOM 0 HB2 ALA B 650 -8.725 10.887 1.670 1.00 24.40 H new ATOM 0 HB3 ALA B 650 -8.615 10.625 -0.086 1.00 24.40 H new ATOM 879 N GLY B 651 -6.617 8.725 -1.153 1.00 74.31 N ATOM 880 CA GLY B 651 -6.412 7.756 -2.214 1.00 41.33 C ATOM 881 C GLY B 651 -5.408 6.686 -1.835 1.00 61.34 C ATOM 882 O GLY B 651 -5.688 5.492 -1.953 1.00 41.52 O ATOM 0 H GLY B 651 -6.388 9.687 -1.402 1.00 74.31 H new ATOM 0 HA2 GLY B 651 -7.364 7.286 -2.461 1.00 41.33 H new ATOM 0 HA3 GLY B 651 -6.068 8.271 -3.111 1.00 41.33 H new ATOM 886 N LEU B 652 -4.234 7.111 -1.382 1.00 42.30 N ATOM 887 CA LEU B 652 -3.183 6.180 -0.987 1.00 42.44 C ATOM 888 C LEU B 652 -3.664 5.259 0.130 1.00 13.31 C ATOM 889 O LEU B 652 -3.438 4.049 0.093 1.00 61.45 O ATOM 890 CB LEU B 652 -1.940 6.946 -0.532 1.00 70.02 C ATOM 891 CG LEU B 652 -1.390 7.978 -1.516 1.00 3.12 C ATOM 892 CD1 LEU B 652 -0.410 8.910 -0.821 1.00 21.15 C ATOM 893 CD2 LEU B 652 -0.725 7.287 -2.697 1.00 60.24 C ATOM 0 H LEU B 652 -3.986 8.095 -1.279 1.00 42.30 H new ATOM 0 HA LEU B 652 -2.928 5.569 -1.853 1.00 42.44 H new ATOM 0 HB2 LEU B 652 -2.173 7.454 0.404 1.00 70.02 H new ATOM 0 HB3 LEU B 652 -1.152 6.224 -0.315 1.00 70.02 H new ATOM 0 HG LEU B 652 -2.222 8.574 -1.890 1.00 3.12 H new ATOM 0 HD11 LEU B 652 -0.029 9.638 -1.538 1.00 21.15 H new ATOM 0 HD12 LEU B 652 -0.917 9.431 -0.009 1.00 21.15 H new ATOM 0 HD13 LEU B 652 0.420 8.330 -0.417 1.00 21.15 H new ATOM 0 HD21 LEU B 652 -0.339 8.037 -3.387 1.00 60.24 H new ATOM 0 HD22 LEU B 652 0.096 6.666 -2.340 1.00 60.24 H new ATOM 0 HD23 LEU B 652 -1.455 6.662 -3.211 1.00 60.24 H new ATOM 905 N VAL B 653 -4.332 5.838 1.123 1.00 33.33 N ATOM 906 CA VAL B 653 -4.848 5.070 2.249 1.00 61.25 C ATOM 907 C VAL B 653 -5.824 3.997 1.781 1.00 63.00 C ATOM 908 O VAL B 653 -5.666 2.818 2.097 1.00 53.32 O ATOM 909 CB VAL B 653 -5.553 5.979 3.272 1.00 0.32 C ATOM 910 CG1 VAL B 653 -6.274 5.145 4.320 1.00 72.34 C ATOM 911 CG2 VAL B 653 -4.554 6.922 3.925 1.00 1.31 C ATOM 0 H VAL B 653 -4.528 6.838 1.170 1.00 33.33 H new ATOM 0 HA VAL B 653 -3.992 4.594 2.727 1.00 61.25 H new ATOM 0 HB VAL B 653 -6.295 6.580 2.746 1.00 0.32 H new ATOM 0 HG11 VAL B 653 -6.766 5.805 5.034 1.00 72.34 H new ATOM 0 HG12 VAL B 653 -7.019 4.515 3.834 1.00 72.34 H new ATOM 0 HG13 VAL B 653 -5.554 4.516 4.843 1.00 72.34 H new ATOM 0 HG21 VAL B 653 -5.070 7.557 4.645 1.00 1.31 H new ATOM 0 HG22 VAL B 653 -3.787 6.341 4.437 1.00 1.31 H new ATOM 0 HG23 VAL B 653 -4.088 7.544 3.161 1.00 1.31 H new ATOM 921 N VAL B 654 -6.834 4.413 1.023 1.00 61.43 N ATOM 922 CA VAL B 654 -7.835 3.487 0.509 1.00 2.11 C ATOM 923 C VAL B 654 -7.185 2.350 -0.271 1.00 73.11 C ATOM 924 O VAL B 654 -7.683 1.225 -0.278 1.00 52.12 O ATOM 925 CB VAL B 654 -8.848 4.206 -0.404 1.00 15.14 C ATOM 926 CG1 VAL B 654 -9.854 3.215 -0.969 1.00 22.21 C ATOM 927 CG2 VAL B 654 -9.553 5.319 0.358 1.00 22.12 C ATOM 0 H VAL B 654 -6.980 5.385 0.752 1.00 61.43 H new ATOM 0 HA VAL B 654 -8.359 3.078 1.373 1.00 2.11 H new ATOM 0 HB VAL B 654 -8.307 4.653 -1.238 1.00 15.14 H new ATOM 0 HG11 VAL B 654 -10.561 3.740 -1.611 1.00 22.21 H new ATOM 0 HG12 VAL B 654 -9.330 2.456 -1.551 1.00 22.21 H new ATOM 0 HG13 VAL B 654 -10.393 2.737 -0.151 1.00 22.21 H new ATOM 0 HG21 VAL B 654 -10.265 5.817 -0.301 1.00 22.12 H new ATOM 0 HG22 VAL B 654 -10.083 4.896 1.212 1.00 22.12 H new ATOM 0 HG23 VAL B 654 -8.817 6.042 0.709 1.00 22.12 H new ATOM 937 N ILE B 655 -6.068 2.652 -0.925 1.00 42.01 N ATOM 938 CA ILE B 655 -5.348 1.654 -1.706 1.00 51.14 C ATOM 939 C ILE B 655 -4.753 0.576 -0.806 1.00 10.32 C ATOM 940 O ILE B 655 -4.972 -0.616 -1.020 1.00 60.43 O ATOM 941 CB ILE B 655 -4.220 2.296 -2.535 1.00 54.14 C ATOM 942 CG1 ILE B 655 -4.806 3.201 -3.619 1.00 22.14 C ATOM 943 CG2 ILE B 655 -3.341 1.219 -3.155 1.00 34.00 C ATOM 944 CD1 ILE B 655 -3.897 4.347 -4.006 1.00 32.23 C ATOM 0 H ILE B 655 -5.643 3.579 -0.929 1.00 42.01 H new ATOM 0 HA ILE B 655 -6.072 1.199 -2.383 1.00 51.14 H new ATOM 0 HB ILE B 655 -3.604 2.905 -1.874 1.00 54.14 H new ATOM 0 HG12 ILE B 655 -5.020 2.602 -4.504 1.00 22.14 H new ATOM 0 HG13 ILE B 655 -5.757 3.604 -3.270 1.00 22.14 H new ATOM 0 HG21 ILE B 655 -2.548 1.688 -3.738 1.00 34.00 H new ATOM 0 HG22 ILE B 655 -2.900 0.610 -2.366 1.00 34.00 H new ATOM 0 HG23 ILE B 655 -3.945 0.587 -3.806 1.00 34.00 H new ATOM 0 HD11 ILE B 655 -4.377 4.947 -4.779 1.00 32.23 H new ATOM 0 HD12 ILE B 655 -3.703 4.969 -3.132 1.00 32.23 H new ATOM 0 HD13 ILE B 655 -2.955 3.952 -4.386 1.00 32.23 H new ATOM 956 N PHE B 656 -4.001 1.004 0.202 1.00 13.52 N ATOM 957 CA PHE B 656 -3.374 0.076 1.136 1.00 10.44 C ATOM 958 C PHE B 656 -4.423 -0.793 1.826 1.00 22.21 C ATOM 959 O PHE B 656 -4.221 -1.991 2.022 1.00 24.55 O ATOM 960 CB PHE B 656 -2.563 0.842 2.183 1.00 31.21 C ATOM 961 CG PHE B 656 -2.133 -0.005 3.346 1.00 70.00 C ATOM 962 CD1 PHE B 656 -1.700 -1.307 3.150 1.00 1.30 C ATOM 963 CD2 PHE B 656 -2.163 0.500 4.636 1.00 70.03 C ATOM 964 CE1 PHE B 656 -1.303 -2.089 4.219 1.00 5.40 C ATOM 965 CE2 PHE B 656 -1.767 -0.278 5.708 1.00 15.23 C ATOM 966 CZ PHE B 656 -1.338 -1.574 5.500 1.00 64.14 C ATOM 0 H PHE B 656 -3.811 1.988 0.393 1.00 13.52 H new ATOM 0 HA PHE B 656 -2.704 -0.572 0.570 1.00 10.44 H new ATOM 0 HB2 PHE B 656 -1.679 1.267 1.707 1.00 31.21 H new ATOM 0 HB3 PHE B 656 -3.158 1.677 2.552 1.00 31.21 H new ATOM 0 HD1 PHE B 656 -1.672 -1.715 2.151 1.00 1.30 H new ATOM 0 HD2 PHE B 656 -2.499 1.512 4.806 1.00 70.03 H new ATOM 0 HE1 PHE B 656 -0.966 -3.101 4.052 1.00 5.40 H new ATOM 0 HE2 PHE B 656 -1.793 0.128 6.708 1.00 15.23 H new ATOM 0 HZ PHE B 656 -1.031 -2.183 6.337 1.00 64.14 H new ATOM 976 N MET B 657 -5.543 -0.178 2.192 1.00 43.40 N ATOM 977 CA MET B 657 -6.625 -0.895 2.858 1.00 20.40 C ATOM 978 C MET B 657 -7.342 -1.825 1.886 1.00 44.24 C ATOM 979 O MET B 657 -7.453 -3.027 2.129 1.00 20.50 O ATOM 980 CB MET B 657 -7.622 0.093 3.466 1.00 22.13 C ATOM 981 CG MET B 657 -7.015 0.988 4.535 1.00 5.35 C ATOM 982 SD MET B 657 -8.238 1.578 5.722 1.00 34.02 S ATOM 983 CE MET B 657 -9.260 2.610 4.673 1.00 74.14 C ATOM 0 H MET B 657 -5.725 0.814 2.039 1.00 43.40 H new ATOM 0 HA MET B 657 -6.190 -1.498 3.655 1.00 20.40 H new ATOM 0 HB2 MET B 657 -8.033 0.717 2.672 1.00 22.13 H new ATOM 0 HB3 MET B 657 -8.454 -0.463 3.898 1.00 22.13 H new ATOM 0 HG2 MET B 657 -6.236 0.439 5.064 1.00 5.35 H new ATOM 0 HG3 MET B 657 -6.535 1.843 4.058 1.00 5.35 H new ATOM 0 HE1 MET B 657 -9.555 3.505 5.220 1.00 74.14 H new ATOM 0 HE2 MET B 657 -8.697 2.896 3.785 1.00 74.14 H new ATOM 0 HE3 MET B 657 -10.151 2.057 4.375 1.00 74.14 H new ATOM 993 N MET B 658 -7.827 -1.262 0.783 1.00 72.34 N ATOM 994 CA MET B 658 -8.532 -2.043 -0.227 1.00 14.43 C ATOM 995 C MET B 658 -7.662 -3.190 -0.733 1.00 53.01 C ATOM 996 O MET B 658 -8.075 -4.350 -0.715 1.00 52.42 O ATOM 997 CB MET B 658 -8.948 -1.148 -1.395 1.00 63.44 C ATOM 998 CG MET B 658 -10.159 -0.281 -1.096 1.00 15.45 C ATOM 999 SD MET B 658 -10.960 0.334 -2.589 1.00 71.34 S ATOM 1000 CE MET B 658 -9.537 0.836 -3.554 1.00 73.40 C ATOM 0 H MET B 658 -7.745 -0.269 0.567 1.00 72.34 H new ATOM 0 HA MET B 658 -9.425 -2.465 0.234 1.00 14.43 H new ATOM 0 HB2 MET B 658 -8.110 -0.506 -1.666 1.00 63.44 H new ATOM 0 HB3 MET B 658 -9.164 -1.773 -2.262 1.00 63.44 H new ATOM 0 HG2 MET B 658 -10.878 -0.857 -0.514 1.00 15.45 H new ATOM 0 HG3 MET B 658 -9.853 0.564 -0.479 1.00 15.45 H new ATOM 0 HE1 MET B 658 -9.816 1.657 -4.214 1.00 73.40 H new ATOM 0 HE2 MET B 658 -8.741 1.163 -2.885 1.00 73.40 H new ATOM 0 HE3 MET B 658 -9.187 -0.006 -4.151 1.00 73.40 H new ATOM 1010 N LEU B 659 -6.458 -2.858 -1.184 1.00 60.14 N ATOM 1011 CA LEU B 659 -5.530 -3.860 -1.697 1.00 14.32 C ATOM 1012 C LEU B 659 -5.301 -4.965 -0.670 1.00 14.14 C ATOM 1013 O LEU B 659 -5.398 -6.150 -0.986 1.00 72.20 O ATOM 1014 CB LEU B 659 -4.196 -3.208 -2.065 1.00 24.04 C ATOM 1015 CG LEU B 659 -4.205 -2.322 -3.313 1.00 54.24 C ATOM 1016 CD1 LEU B 659 -2.795 -1.865 -3.652 1.00 22.02 C ATOM 1017 CD2 LEU B 659 -4.825 -3.064 -4.488 1.00 21.34 C ATOM 0 H LEU B 659 -6.101 -1.903 -1.205 1.00 60.14 H new ATOM 0 HA LEU B 659 -5.970 -4.303 -2.590 1.00 14.32 H new ATOM 0 HB2 LEU B 659 -3.862 -2.607 -1.219 1.00 24.04 H new ATOM 0 HB3 LEU B 659 -3.456 -3.996 -2.208 1.00 24.04 H new ATOM 0 HG LEU B 659 -4.811 -1.440 -3.106 1.00 54.24 H new ATOM 0 HD11 LEU B 659 -2.820 -1.236 -4.542 1.00 22.02 H new ATOM 0 HD12 LEU B 659 -2.386 -1.296 -2.817 1.00 22.02 H new ATOM 0 HD13 LEU B 659 -2.166 -2.735 -3.840 1.00 22.02 H new ATOM 0 HD21 LEU B 659 -4.823 -2.419 -5.367 1.00 21.34 H new ATOM 0 HD22 LEU B 659 -4.246 -3.964 -4.697 1.00 21.34 H new ATOM 0 HD23 LEU B 659 -5.850 -3.341 -4.243 1.00 21.34 H new ATOM 1029 N GLY B 660 -5.000 -4.568 0.563 1.00 61.53 N ATOM 1030 CA GLY B 660 -4.763 -5.537 1.618 1.00 3.32 C ATOM 1031 C GLY B 660 -5.974 -6.409 1.884 1.00 53.14 C ATOM 1032 O GLY B 660 -5.874 -7.635 1.895 1.00 42.33 O ATOM 0 H GLY B 660 -4.916 -3.593 0.850 1.00 61.53 H new ATOM 0 HA2 GLY B 660 -3.917 -6.168 1.345 1.00 3.32 H new ATOM 0 HA3 GLY B 660 -4.487 -5.013 2.533 1.00 3.32 H new ATOM 1036 N GLY B 661 -7.123 -5.776 2.101 1.00 73.50 N ATOM 1037 CA GLY B 661 -8.341 -6.518 2.368 1.00 21.23 C ATOM 1038 C GLY B 661 -8.799 -7.328 1.172 1.00 12.31 C ATOM 1039 O GLY B 661 -9.393 -8.397 1.327 1.00 20.44 O ATOM 0 H GLY B 661 -7.232 -4.762 2.097 1.00 73.50 H new ATOM 0 HA2 GLY B 661 -8.178 -7.185 3.214 1.00 21.23 H new ATOM 0 HA3 GLY B 661 -9.130 -5.824 2.657 1.00 21.23 H new ATOM 1043 N THR B 662 -8.527 -6.820 -0.025 1.00 64.42 N ATOM 1044 CA THR B 662 -8.917 -7.503 -1.252 1.00 65.31 C ATOM 1045 C THR B 662 -8.030 -8.715 -1.514 1.00 31.21 C ATOM 1046 O THR B 662 -8.522 -9.829 -1.695 1.00 34.42 O ATOM 1047 CB THR B 662 -8.848 -6.557 -2.467 1.00 41.14 C ATOM 1048 OG1 THR B 662 -9.825 -5.519 -2.336 1.00 62.34 O ATOM 1049 CG2 THR B 662 -9.084 -7.322 -3.761 1.00 33.41 C ATOM 0 H THR B 662 -8.038 -5.937 -0.171 1.00 64.42 H new ATOM 0 HA THR B 662 -9.947 -7.834 -1.116 1.00 65.31 H new ATOM 0 HB THR B 662 -7.852 -6.115 -2.500 1.00 41.14 H new ATOM 0 HG1 THR B 662 -9.486 -4.825 -1.733 1.00 62.34 H new ATOM 0 HG21 THR B 662 -9.031 -6.634 -4.605 1.00 33.41 H new ATOM 0 HG22 THR B 662 -8.321 -8.093 -3.872 1.00 33.41 H new ATOM 0 HG23 THR B 662 -10.069 -7.788 -3.734 1.00 33.41 H new ATOM 1057 N PHE B 663 -6.721 -8.490 -1.533 1.00 60.32 N ATOM 1058 CA PHE B 663 -5.764 -9.564 -1.773 1.00 44.53 C ATOM 1059 C PHE B 663 -5.985 -10.717 -0.797 1.00 31.00 C ATOM 1060 O PHE B 663 -6.187 -11.861 -1.206 1.00 14.51 O ATOM 1061 CB PHE B 663 -4.333 -9.040 -1.646 1.00 31.13 C ATOM 1062 CG PHE B 663 -3.368 -9.694 -2.593 1.00 53.22 C ATOM 1063 CD1 PHE B 663 -3.236 -11.073 -2.627 1.00 10.52 C ATOM 1064 CD2 PHE B 663 -2.592 -8.929 -3.449 1.00 74.24 C ATOM 1065 CE1 PHE B 663 -2.350 -11.678 -3.497 1.00 60.42 C ATOM 1066 CE2 PHE B 663 -1.704 -9.529 -4.323 1.00 52.42 C ATOM 1067 CZ PHE B 663 -1.582 -10.904 -4.346 1.00 52.42 C ATOM 0 H PHE B 663 -6.298 -7.574 -1.385 1.00 60.32 H new ATOM 0 HA PHE B 663 -5.918 -9.934 -2.787 1.00 44.53 H new ATOM 0 HB2 PHE B 663 -4.331 -7.965 -1.824 1.00 31.13 H new ATOM 0 HB3 PHE B 663 -3.988 -9.195 -0.624 1.00 31.13 H new ATOM 0 HD1 PHE B 663 -3.833 -11.682 -1.965 1.00 10.52 H new ATOM 0 HD2 PHE B 663 -2.682 -7.853 -3.433 1.00 74.24 H new ATOM 0 HE1 PHE B 663 -2.258 -12.754 -3.514 1.00 60.42 H new ATOM 0 HE2 PHE B 663 -1.106 -8.922 -4.987 1.00 52.42 H new ATOM 0 HZ PHE B 663 -0.887 -11.374 -5.026 1.00 52.42 H new ATOM 1077 N LEU B 664 -5.943 -10.406 0.494 1.00 74.14 N ATOM 1078 CA LEU B 664 -6.137 -11.415 1.530 1.00 13.40 C ATOM 1079 C LEU B 664 -7.474 -12.128 1.352 1.00 22.32 C ATOM 1080 O LEU B 664 -7.538 -13.358 1.351 1.00 31.21 O ATOM 1081 CB LEU B 664 -6.069 -10.771 2.916 1.00 11.13 C ATOM 1082 CG LEU B 664 -4.719 -10.175 3.314 1.00 52.42 C ATOM 1083 CD1 LEU B 664 -4.683 -9.885 4.806 1.00 54.35 C ATOM 1084 CD2 LEU B 664 -3.586 -11.113 2.923 1.00 12.12 C ATOM 0 H LEU B 664 -5.777 -9.464 0.848 1.00 74.14 H new ATOM 0 HA LEU B 664 -5.339 -12.152 1.439 1.00 13.40 H new ATOM 0 HB2 LEU B 664 -6.820 -9.983 2.965 1.00 11.13 H new ATOM 0 HB3 LEU B 664 -6.345 -11.521 3.657 1.00 11.13 H new ATOM 0 HG LEU B 664 -4.586 -9.235 2.779 1.00 52.42 H new ATOM 0 HD11 LEU B 664 -3.714 -9.461 5.071 1.00 54.35 H new ATOM 0 HD12 LEU B 664 -5.471 -9.175 5.058 1.00 54.35 H new ATOM 0 HD13 LEU B 664 -4.838 -10.811 5.360 1.00 54.35 H new ATOM 0 HD21 LEU B 664 -2.632 -10.673 3.214 1.00 12.12 H new ATOM 0 HD22 LEU B 664 -3.714 -12.069 3.430 1.00 12.12 H new ATOM 0 HD23 LEU B 664 -3.599 -11.270 1.844 1.00 12.12 H new ATOM 1096 N TYR B 665 -8.538 -11.348 1.200 1.00 3.34 N ATOM 1097 CA TYR B 665 -9.873 -11.905 1.021 1.00 11.45 C ATOM 1098 C TYR B 665 -9.919 -12.836 -0.186 1.00 22.23 C ATOM 1099 O TYR B 665 -10.448 -13.944 -0.109 1.00 42.04 O ATOM 1100 CB TYR B 665 -10.899 -10.781 0.852 1.00 74.13 C ATOM 1101 CG TYR B 665 -12.226 -11.251 0.301 1.00 33.34 C ATOM 1102 CD1 TYR B 665 -12.452 -11.302 -1.069 1.00 2.31 C ATOM 1103 CD2 TYR B 665 -13.254 -11.641 1.150 1.00 41.31 C ATOM 1104 CE1 TYR B 665 -13.664 -11.730 -1.577 1.00 1.04 C ATOM 1105 CE2 TYR B 665 -14.468 -12.072 0.651 1.00 23.02 C ATOM 1106 CZ TYR B 665 -14.668 -12.114 -0.713 1.00 31.23 C ATOM 1107 OH TYR B 665 -15.877 -12.540 -1.214 1.00 43.53 O ATOM 0 H TYR B 665 -8.502 -10.329 1.197 1.00 3.34 H new ATOM 0 HA TYR B 665 -10.120 -12.483 1.912 1.00 11.45 H new ATOM 0 HB2 TYR B 665 -11.065 -10.303 1.818 1.00 74.13 H new ATOM 0 HB3 TYR B 665 -10.487 -10.022 0.187 1.00 74.13 H new ATOM 0 HD1 TYR B 665 -11.668 -11.002 -1.748 1.00 2.31 H new ATOM 0 HD2 TYR B 665 -13.102 -11.607 2.219 1.00 41.31 H new ATOM 0 HE1 TYR B 665 -13.824 -11.764 -2.645 1.00 1.04 H new ATOM 0 HE2 TYR B 665 -15.256 -12.374 1.325 1.00 23.02 H new ATOM 0 HH TYR B 665 -16.474 -12.775 -0.473 1.00 43.53 H new ATOM 1117 N TRP B 666 -9.361 -12.376 -1.300 1.00 45.01 N ATOM 1118 CA TRP B 666 -9.336 -13.168 -2.525 1.00 22.12 C ATOM 1119 C TRP B 666 -8.601 -14.486 -2.307 1.00 1.12 C ATOM 1120 O TRP B 666 -9.130 -15.557 -2.601 1.00 54.52 O ATOM 1121 CB TRP B 666 -8.670 -12.378 -3.653 1.00 73.13 C ATOM 1122 CG TRP B 666 -9.318 -12.588 -4.988 1.00 3.24 C ATOM 1123 CD1 TRP B 666 -10.449 -11.980 -5.454 1.00 31.41 C ATOM 1124 CD2 TRP B 666 -8.875 -13.467 -6.028 1.00 11.34 C ATOM 1125 NE1 TRP B 666 -10.735 -12.428 -6.720 1.00 44.12 N ATOM 1126 CE2 TRP B 666 -9.785 -13.340 -7.096 1.00 72.12 C ATOM 1127 CE3 TRP B 666 -7.798 -14.347 -6.161 1.00 21.33 C ATOM 1128 CZ2 TRP B 666 -9.648 -14.062 -8.278 1.00 4.12 C ATOM 1129 CZ3 TRP B 666 -7.664 -15.063 -7.335 1.00 42.30 C ATOM 1130 CH2 TRP B 666 -8.585 -14.917 -8.382 1.00 10.24 C ATOM 0 H TRP B 666 -8.920 -11.460 -1.381 1.00 45.01 H new ATOM 0 HA TRP B 666 -10.365 -13.391 -2.805 1.00 22.12 H new ATOM 0 HB2 TRP B 666 -8.696 -11.316 -3.408 1.00 73.13 H new ATOM 0 HB3 TRP B 666 -7.620 -12.665 -3.717 1.00 73.13 H new ATOM 0 HD1 TRP B 666 -11.032 -11.254 -4.907 1.00 31.41 H new ATOM 0 HE1 TRP B 666 -11.527 -12.130 -7.289 1.00 44.12 H new ATOM 0 HE3 TRP B 666 -7.083 -14.465 -5.360 1.00 21.33 H new ATOM 0 HZ2 TRP B 666 -10.357 -13.951 -9.085 1.00 4.12 H new ATOM 0 HZ3 TRP B 666 -6.836 -15.747 -7.448 1.00 42.30 H new ATOM 0 HH2 TRP B 666 -8.453 -15.490 -9.288 1.00 10.24 H new ATOM 1141 N ARG B 667 -7.380 -14.399 -1.790 1.00 43.41 N ATOM 1142 CA ARG B 667 -6.573 -15.586 -1.534 1.00 42.00 C ATOM 1143 C ARG B 667 -7.348 -16.601 -0.699 1.00 30.55 C ATOM 1144 O ARG B 667 -7.239 -17.807 -0.911 1.00 71.13 O ATOM 1145 CB ARG B 667 -5.277 -15.202 -0.817 1.00 24.12 C ATOM 1146 CG ARG B 667 -4.179 -14.728 -1.755 1.00 42.12 C ATOM 1147 CD ARG B 667 -3.029 -14.093 -0.991 1.00 70.12 C ATOM 1148 NE ARG B 667 -2.212 -15.090 -0.303 1.00 22.54 N ATOM 1149 CZ ARG B 667 -1.262 -15.801 -0.900 1.00 20.45 C ATOM 1150 NH1 ARG B 667 -1.012 -15.626 -2.191 1.00 33.40 N ATOM 1151 NH2 ARG B 667 -0.561 -16.689 -0.207 1.00 24.23 N ATOM 0 H ARG B 667 -6.928 -13.519 -1.540 1.00 43.41 H new ATOM 0 HA ARG B 667 -6.328 -16.042 -2.493 1.00 42.00 H new ATOM 0 HB2 ARG B 667 -5.491 -14.414 -0.095 1.00 24.12 H new ATOM 0 HB3 ARG B 667 -4.915 -16.062 -0.253 1.00 24.12 H new ATOM 0 HG2 ARG B 667 -3.808 -15.571 -2.338 1.00 42.12 H new ATOM 0 HG3 ARG B 667 -4.589 -14.007 -2.462 1.00 42.12 H new ATOM 0 HD2 ARG B 667 -2.404 -13.526 -1.681 1.00 70.12 H new ATOM 0 HD3 ARG B 667 -3.425 -13.384 -0.264 1.00 70.12 H new ATOM 0 HE ARG B 667 -2.380 -15.249 0.690 1.00 22.54 H new ATOM 0 HH11 ARG B 667 -1.550 -14.945 -2.727 1.00 33.40 H new ATOM 0 HH12 ARG B 667 -0.282 -16.173 -2.648 1.00 33.40 H new ATOM 0 HH21 ARG B 667 -0.751 -16.827 0.786 1.00 24.23 H new ATOM 0 HH22 ARG B 667 0.168 -17.234 -0.667 1.00 24.23 H new ATOM 1165 N GLY B 668 -8.130 -16.101 0.253 1.00 41.20 N ATOM 1166 CA GLY B 668 -8.911 -16.977 1.107 1.00 44.20 C ATOM 1167 C GLY B 668 -10.150 -17.510 0.413 1.00 65.45 C ATOM 1168 O GLY B 668 -10.552 -18.652 0.636 1.00 14.21 O ATOM 0 H GLY B 668 -8.237 -15.106 0.448 1.00 41.20 H new ATOM 0 HA2 GLY B 668 -8.290 -17.813 1.429 1.00 44.20 H new ATOM 0 HA3 GLY B 668 -9.206 -16.435 2.005 1.00 44.20 H new ATOM 1172 N ARG B 669 -10.755 -16.682 -0.432 1.00 51.11 N ATOM 1173 CA ARG B 669 -11.956 -17.076 -1.159 1.00 41.41 C ATOM 1174 C ARG B 669 -11.675 -18.268 -2.068 1.00 62.24 C ATOM 1175 O ARG B 669 -12.285 -19.328 -1.927 1.00 32.42 O ATOM 1176 CB ARG B 669 -12.485 -15.903 -1.985 1.00 44.33 C ATOM 1177 CG ARG B 669 -13.811 -15.353 -1.484 1.00 63.25 C ATOM 1178 CD ARG B 669 -14.725 -14.965 -2.637 1.00 75.41 C ATOM 1179 NE ARG B 669 -15.012 -16.099 -3.512 1.00 2.05 N ATOM 1180 CZ ARG B 669 -15.802 -17.110 -3.167 1.00 44.33 C ATOM 1181 NH1 ARG B 669 -16.378 -17.129 -1.973 1.00 63.11 N ATOM 1182 NH2 ARG B 669 -16.016 -18.105 -4.019 1.00 55.21 N ATOM 0 H ARG B 669 -10.434 -15.734 -0.630 1.00 51.11 H new ATOM 0 HA ARG B 669 -12.712 -17.368 -0.430 1.00 41.41 H new ATOM 0 HB2 ARG B 669 -11.745 -15.103 -1.980 1.00 44.33 H new ATOM 0 HB3 ARG B 669 -12.602 -16.223 -3.021 1.00 44.33 H new ATOM 0 HG2 ARG B 669 -14.305 -16.100 -0.863 1.00 63.25 H new ATOM 0 HG3 ARG B 669 -13.630 -14.483 -0.853 1.00 63.25 H new ATOM 0 HD2 ARG B 669 -15.659 -14.567 -2.241 1.00 75.41 H new ATOM 0 HD3 ARG B 669 -14.259 -14.168 -3.217 1.00 75.41 H new ATOM 0 HE ARG B 669 -14.583 -16.116 -4.437 1.00 2.05 H new ATOM 0 HH11 ARG B 669 -16.215 -16.366 -1.316 1.00 63.11 H new ATOM 0 HH12 ARG B 669 -16.984 -17.907 -1.711 1.00 63.11 H new ATOM 0 HH21 ARG B 669 -15.574 -18.093 -4.938 1.00 55.21 H new ATOM 0 HH22 ARG B 669 -16.622 -18.881 -3.755 1.00 55.21 H new ATOM 1196 N ARG B 670 -10.747 -18.086 -3.003 1.00 51.23 N ATOM 1197 CA ARG B 670 -10.386 -19.146 -3.937 1.00 11.34 C ATOM 1198 C ARG B 670 -8.905 -19.494 -3.819 1.00 4.12 C ATOM 1199 O ARG B 670 -8.117 -19.209 -4.721 1.00 75.40 O ATOM 1200 CB ARG B 670 -10.709 -18.723 -5.371 1.00 2.13 C ATOM 1201 CG ARG B 670 -10.661 -17.219 -5.588 1.00 13.20 C ATOM 1202 CD ARG B 670 -10.980 -16.854 -7.029 1.00 30.42 C ATOM 1203 NE ARG B 670 -12.153 -17.567 -7.528 1.00 74.44 N ATOM 1204 CZ ARG B 670 -12.425 -17.721 -8.819 1.00 74.40 C ATOM 1205 NH1 ARG B 670 -11.613 -17.214 -9.736 1.00 75.21 N ATOM 1206 NH2 ARG B 670 -13.511 -18.384 -9.195 1.00 30.43 N ATOM 0 H ARG B 670 -10.232 -17.215 -3.133 1.00 51.23 H new ATOM 0 HA ARG B 670 -10.970 -20.031 -3.686 1.00 11.34 H new ATOM 0 HB2 ARG B 670 -10.003 -19.202 -6.050 1.00 2.13 H new ATOM 0 HB3 ARG B 670 -11.702 -19.088 -5.634 1.00 2.13 H new ATOM 0 HG2 ARG B 670 -11.373 -16.731 -4.922 1.00 13.20 H new ATOM 0 HG3 ARG B 670 -9.671 -16.844 -5.327 1.00 13.20 H new ATOM 0 HD2 ARG B 670 -11.151 -15.780 -7.101 1.00 30.42 H new ATOM 0 HD3 ARG B 670 -10.121 -17.083 -7.660 1.00 30.42 H new ATOM 0 HE ARG B 670 -12.799 -17.969 -6.848 1.00 74.44 H new ATOM 0 HH11 ARG B 670 -10.777 -16.704 -9.451 1.00 75.21 H new ATOM 0 HH12 ARG B 670 -11.824 -17.334 -10.727 1.00 75.21 H new ATOM 0 HH21 ARG B 670 -14.138 -18.776 -8.492 1.00 30.43 H new ATOM 0 HH22 ARG B 670 -13.719 -18.502 -10.187 1.00 30.43 H new ATOM 1220 N HIS B 671 -8.534 -20.109 -2.701 1.00 73.12 N ATOM 1221 CA HIS B 671 -7.147 -20.496 -2.465 1.00 13.10 C ATOM 1222 C HIS B 671 -6.740 -21.646 -3.381 1.00 23.44 C ATOM 1223 O HIS B 671 -5.645 -21.647 -3.945 1.00 5.13 O ATOM 1224 CB HIS B 671 -6.950 -20.898 -1.004 1.00 12.31 C ATOM 1225 CG HIS B 671 -7.872 -21.989 -0.553 1.00 74.02 C ATOM 1226 ND1 HIS B 671 -9.126 -21.747 -0.033 1.00 42.11 N ATOM 1227 CD2 HIS B 671 -7.718 -23.334 -0.547 1.00 62.10 C ATOM 1228 CE1 HIS B 671 -9.702 -22.896 0.274 1.00 21.23 C ATOM 1229 NE2 HIS B 671 -8.868 -23.874 -0.029 1.00 21.05 N ATOM 0 H HIS B 671 -9.174 -20.350 -1.944 1.00 73.12 H new ATOM 0 HA HIS B 671 -6.513 -19.637 -2.687 1.00 13.10 H new ATOM 0 HB2 HIS B 671 -5.919 -21.222 -0.861 1.00 12.31 H new ATOM 0 HB3 HIS B 671 -7.099 -20.023 -0.372 1.00 12.31 H new ATOM 0 HD2 HIS B 671 -6.851 -23.881 -0.887 1.00 62.10 H new ATOM 0 HE1 HIS B 671 -10.687 -23.015 0.700 1.00 21.23 H new ATOM 0 HE2 HIS B 671 -9.049 -24.869 0.101 1.00 21.05 H new ATOM 1237 N HIS B 672 -7.629 -22.624 -3.526 1.00 73.52 N ATOM 1238 CA HIS B 672 -7.362 -23.781 -4.374 1.00 34.54 C ATOM 1239 C HIS B 672 -6.988 -23.343 -5.787 1.00 12.11 C ATOM 1240 O HIS B 672 -5.983 -23.788 -6.341 1.00 74.25 O ATOM 1241 CB HIS B 672 -8.582 -24.700 -4.417 1.00 53.42 C ATOM 1242 CG HIS B 672 -8.309 -26.028 -5.055 1.00 74.33 C ATOM 1243 ND1 HIS B 672 -9.306 -26.860 -5.517 1.00 41.44 N ATOM 1244 CD2 HIS B 672 -7.141 -26.665 -5.309 1.00 14.54 C ATOM 1245 CE1 HIS B 672 -8.765 -27.953 -6.025 1.00 70.02 C ATOM 1246 NE2 HIS B 672 -7.452 -27.859 -5.912 1.00 15.32 N ATOM 0 H HIS B 672 -8.540 -22.638 -3.068 1.00 73.52 H new ATOM 0 HA HIS B 672 -6.521 -24.328 -3.948 1.00 34.54 H new ATOM 0 HB2 HIS B 672 -8.941 -24.861 -3.401 1.00 53.42 H new ATOM 0 HB3 HIS B 672 -9.383 -24.202 -4.963 1.00 53.42 H new ATOM 0 HD2 HIS B 672 -6.150 -26.302 -5.080 1.00 14.54 H new ATOM 0 HE1 HIS B 672 -9.304 -28.782 -6.459 1.00 70.02 H new ATOM 0 HE2 HIS B 672 -6.779 -28.560 -6.222 1.00 15.32 H new ATOM 1254 N HIS B 673 -7.806 -22.470 -6.366 1.00 42.02 N ATOM 1255 CA HIS B 673 -7.562 -21.973 -7.716 1.00 32.13 C ATOM 1256 C HIS B 673 -6.141 -21.432 -7.847 1.00 1.23 C ATOM 1257 O HIS B 673 -5.277 -22.069 -8.450 1.00 44.32 O ATOM 1258 CB HIS B 673 -8.571 -20.879 -8.069 1.00 51.12 C ATOM 1259 CG HIS B 673 -9.614 -21.321 -9.048 1.00 13.42 C ATOM 1260 ND1 HIS B 673 -10.018 -20.549 -10.117 1.00 51.04 N ATOM 1261 CD2 HIS B 673 -10.338 -22.463 -9.115 1.00 25.41 C ATOM 1262 CE1 HIS B 673 -10.945 -21.198 -10.800 1.00 33.23 C ATOM 1263 NE2 HIS B 673 -11.158 -22.361 -10.213 1.00 63.34 N ATOM 0 H HIS B 673 -8.643 -22.092 -5.922 1.00 42.02 H new ATOM 0 HA HIS B 673 -7.681 -22.805 -8.410 1.00 32.13 H new ATOM 0 HB2 HIS B 673 -9.061 -20.540 -7.156 1.00 51.12 H new ATOM 0 HB3 HIS B 673 -8.037 -20.023 -8.481 1.00 51.12 H new ATOM 0 HD2 HIS B 673 -10.282 -23.298 -8.433 1.00 25.41 H new ATOM 0 HE1 HIS B 673 -11.444 -20.838 -11.688 1.00 33.23 H new ATOM 0 HE2 HIS B 673 -11.823 -23.069 -10.524 1.00 63.34 H new ATOM 1271 N HIS B 674 -5.907 -20.254 -7.278 1.00 3.01 N ATOM 1272 CA HIS B 674 -4.590 -19.627 -7.333 1.00 0.11 C ATOM 1273 C HIS B 674 -4.081 -19.557 -8.769 1.00 33.11 C ATOM 1274 O HIS B 674 -4.823 -19.820 -9.716 1.00 1.41 O ATOM 1275 CB HIS B 674 -3.598 -20.402 -6.464 1.00 31.35 C ATOM 1276 CG HIS B 674 -2.871 -19.543 -5.475 1.00 21.42 C ATOM 1277 ND1 HIS B 674 -2.636 -19.928 -4.173 1.00 40.32 N ATOM 1278 CD2 HIS B 674 -2.323 -18.311 -5.606 1.00 53.24 C ATOM 1279 CE1 HIS B 674 -1.977 -18.972 -3.544 1.00 11.04 C ATOM 1280 NE2 HIS B 674 -1.775 -17.979 -4.392 1.00 51.32 N ATOM 0 H HIS B 674 -6.611 -19.714 -6.774 1.00 3.01 H new ATOM 0 HA HIS B 674 -4.681 -18.611 -6.950 1.00 0.11 H new ATOM 0 HB2 HIS B 674 -4.132 -21.186 -5.928 1.00 31.35 H new ATOM 0 HB3 HIS B 674 -2.871 -20.895 -7.109 1.00 31.35 H new ATOM 0 HD1 HIS B 674 -2.926 -20.814 -3.759 1.00 40.32 H new ATOM 0 HD2 HIS B 674 -2.318 -17.703 -6.499 1.00 53.24 H new ATOM 0 HE1 HIS B 674 -1.658 -18.997 -2.513 1.00 11.04 H new ATOM 1288 N HIS B 675 -2.810 -19.201 -8.923 1.00 64.30 N ATOM 1289 CA HIS B 675 -2.201 -19.096 -10.245 1.00 74.04 C ATOM 1290 C HIS B 675 -3.013 -18.172 -11.146 1.00 60.30 C ATOM 1291 O HIS B 675 -3.922 -18.614 -11.849 1.00 51.12 O ATOM 1292 CB HIS B 675 -2.083 -20.479 -10.887 1.00 71.22 C ATOM 1293 CG HIS B 675 -1.083 -20.539 -12.000 1.00 52.22 C ATOM 1294 ND1 HIS B 675 -0.798 -19.465 -12.815 1.00 32.43 N ATOM 1295 CD2 HIS B 675 -0.298 -21.554 -12.431 1.00 51.33 C ATOM 1296 CE1 HIS B 675 0.118 -19.816 -13.700 1.00 54.22 C ATOM 1297 NE2 HIS B 675 0.439 -21.080 -13.488 1.00 33.04 N ATOM 0 H HIS B 675 -2.182 -18.980 -8.150 1.00 64.30 H new ATOM 0 HA HIS B 675 -1.204 -18.673 -10.125 1.00 74.04 H new ATOM 0 HB2 HIS B 675 -1.806 -21.204 -10.121 1.00 71.22 H new ATOM 0 HB3 HIS B 675 -3.059 -20.777 -11.270 1.00 71.22 H new ATOM 0 HD2 HIS B 675 -0.259 -22.552 -12.020 1.00 51.33 H new ATOM 0 HE1 HIS B 675 0.534 -19.178 -14.466 1.00 54.22 H new ATOM 0 HE2 HIS B 675 1.123 -21.616 -14.022 1.00 33.04 H new ATOM 1305 N HIS B 676 -2.680 -16.885 -11.120 1.00 13.32 N ATOM 1306 CA HIS B 676 -3.379 -15.897 -11.934 1.00 45.04 C ATOM 1307 C HIS B 676 -3.426 -16.333 -13.395 1.00 43.11 C ATOM 1308 O HIS B 676 -4.499 -16.417 -13.994 1.00 4.15 O ATOM 1309 CB HIS B 676 -2.697 -14.534 -11.819 1.00 14.41 C ATOM 1310 CG HIS B 676 -3.493 -13.529 -11.044 1.00 53.25 C ATOM 1311 ND1 HIS B 676 -4.765 -13.137 -11.405 1.00 23.51 N ATOM 1312 CD2 HIS B 676 -3.192 -12.838 -9.920 1.00 11.11 C ATOM 1313 CE1 HIS B 676 -5.211 -12.245 -10.538 1.00 71.24 C ATOM 1314 NE2 HIS B 676 -4.276 -12.047 -9.626 1.00 34.31 N ATOM 0 H HIS B 676 -1.930 -16.502 -10.544 1.00 13.32 H new ATOM 0 HA HIS B 676 -4.401 -15.815 -11.563 1.00 45.04 H new ATOM 0 HB2 HIS B 676 -1.726 -14.662 -11.341 1.00 14.41 H new ATOM 0 HB3 HIS B 676 -2.511 -14.144 -12.820 1.00 14.41 H new ATOM 0 HD2 HIS B 676 -2.271 -12.897 -9.359 1.00 11.11 H new ATOM 0 HE1 HIS B 676 -6.176 -11.760 -10.570 1.00 71.24 H new ATOM 0 HE2 HIS B 676 -4.347 -11.410 -8.832 1.00 34.31 H new TER 1322 HIS B 676