USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 761 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -164:sc= -1.21 (180deg=-1.82!) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.0859 (180deg=-0.292) USER MOD Single : A 6 LYS NZ :NH3+ -117:sc= 0.94 (180deg=-1.19) USER MOD Single : A 8 HIS : no HD1:sc= -1.45 K(o=-1.4,f=-2.7!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -7:sc= -2.12 USER MOD Single : A 12 HIS : no HD1:sc= -0.549 X(o=-0.55,f=-0.43) USER MOD Single : A 23 THR OG1 : rot -100:sc= -0.949 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -173:sc= -0.816 USER MOD Single : A 31 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.9!) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= 0.0627 (180deg=0.00708) USER MOD Single : A 41 LYS NZ :NH3+ 167:sc= -1.56 (180deg=-1.84) USER MOD Single : A 42 TYR OH : rot -32:sc= 0.0197 USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= -0.718 (180deg=-0.78) USER MOD Single : A 51 THR OG1 : rot 131:sc= -2.72 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0673 X(o=-0.067,f=-0.25) USER MOD Single : A 61 SER OG : rot 86:sc= -1.26 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -159:sc= -0.0223 (180deg=-0.128) USER MOD Single : A 87 HIS : no HD1:sc= -0.844 K(o=-0.84,f=-0.1) USER MOD Single : A 88 TYR OH : rot 168:sc= 0.0592 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.516 X(o=-0.52,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 83.388 13.564 0.577 1.00 1.31 N ATOM 2 CA MET A 1 83.579 13.612 -0.902 1.00 0.79 C ATOM 3 C MET A 1 82.250 13.877 -1.608 1.00 0.68 C ATOM 4 O MET A 1 81.248 14.164 -0.979 1.00 0.82 O ATOM 5 CB MET A 1 84.116 12.232 -1.280 1.00 1.18 C ATOM 6 CG MET A 1 85.576 12.118 -0.849 1.00 1.69 C ATOM 7 SD MET A 1 86.256 10.545 -1.430 1.00 2.57 S ATOM 8 CE MET A 1 85.107 9.461 -0.549 1.00 2.76 C ATOM 0 H1 MET A 1 84.028 14.246 1.032 1.00 1.31 H new ATOM 0 H2 MET A 1 82.403 13.806 0.808 1.00 1.31 H new ATOM 0 H3 MET A 1 83.600 12.607 0.923 1.00 1.31 H new ATOM 0 HA MET A 1 84.258 14.412 -1.198 1.00 0.79 H new ATOM 0 HB2 MET A 1 83.522 11.455 -0.799 1.00 1.18 H new ATOM 0 HB3 MET A 1 84.030 12.079 -2.356 1.00 1.18 H new ATOM 0 HG2 MET A 1 86.152 12.948 -1.257 1.00 1.69 H new ATOM 0 HG3 MET A 1 85.652 12.180 0.237 1.00 1.69 H new ATOM 0 HE1 MET A 1 85.505 8.447 -0.530 1.00 2.76 H new ATOM 0 HE2 MET A 1 84.979 9.819 0.472 1.00 2.76 H new ATOM 0 HE3 MET A 1 84.143 9.463 -1.057 1.00 2.76 H new ATOM 20 N ASP A 2 82.238 13.753 -2.910 1.00 0.57 N ATOM 21 CA ASP A 2 80.973 13.961 -3.681 1.00 0.50 C ATOM 22 C ASP A 2 80.038 12.765 -3.489 1.00 0.41 C ATOM 23 O ASP A 2 80.480 11.632 -3.423 1.00 0.38 O ATOM 24 CB ASP A 2 81.404 14.071 -5.146 1.00 0.54 C ATOM 25 CG ASP A 2 82.290 15.308 -5.338 1.00 0.92 C ATOM 26 OD1 ASP A 2 82.109 16.267 -4.605 1.00 1.37 O ATOM 27 OD2 ASP A 2 83.131 15.276 -6.221 1.00 1.70 O ATOM 0 H ASP A 2 83.053 13.516 -3.476 1.00 0.57 H new ATOM 0 HA ASP A 2 80.433 14.849 -3.351 1.00 0.50 H new ATOM 0 HB2 ASP A 2 81.948 13.174 -5.443 1.00 0.54 H new ATOM 0 HB3 ASP A 2 80.526 14.139 -5.788 1.00 0.54 H new ATOM 32 N VAL A 3 78.751 13.008 -3.427 1.00 0.40 N ATOM 33 CA VAL A 3 77.779 11.893 -3.272 1.00 0.33 C ATOM 34 C VAL A 3 76.697 11.998 -4.357 1.00 0.31 C ATOM 35 O VAL A 3 76.212 13.077 -4.652 1.00 0.37 O ATOM 36 CB VAL A 3 77.220 12.060 -1.837 1.00 0.36 C ATOM 37 CG1 VAL A 3 76.139 13.153 -1.755 1.00 0.41 C ATOM 38 CG2 VAL A 3 76.628 10.731 -1.365 1.00 0.30 C ATOM 0 H VAL A 3 78.335 13.938 -3.478 1.00 0.40 H new ATOM 0 HA VAL A 3 78.219 10.904 -3.396 1.00 0.33 H new ATOM 0 HB VAL A 3 78.048 12.363 -1.196 1.00 0.36 H new ATOM 0 HG11 VAL A 3 75.779 13.232 -0.729 1.00 0.41 H new ATOM 0 HG12 VAL A 3 76.563 14.108 -2.065 1.00 0.41 H new ATOM 0 HG13 VAL A 3 75.309 12.894 -2.412 1.00 0.41 H new ATOM 0 HG21 VAL A 3 76.234 10.846 -0.355 1.00 0.30 H new ATOM 0 HG22 VAL A 3 75.823 10.432 -2.037 1.00 0.30 H new ATOM 0 HG23 VAL A 3 77.404 9.966 -1.366 1.00 0.30 H new ATOM 48 N LEU A 4 76.333 10.897 -4.952 1.00 0.26 N ATOM 49 CA LEU A 4 75.296 10.929 -6.029 1.00 0.28 C ATOM 50 C LEU A 4 73.887 10.894 -5.417 1.00 0.28 C ATOM 51 O LEU A 4 72.930 11.322 -6.034 1.00 0.30 O ATOM 52 CB LEU A 4 75.555 9.682 -6.897 1.00 0.27 C ATOM 53 CG LEU A 4 77.041 9.587 -7.323 1.00 0.27 C ATOM 54 CD1 LEU A 4 77.210 8.441 -8.323 1.00 0.36 C ATOM 55 CD2 LEU A 4 77.512 10.902 -7.971 1.00 0.37 C ATOM 0 H LEU A 4 76.708 9.972 -4.741 1.00 0.26 H new ATOM 0 HA LEU A 4 75.355 11.841 -6.623 1.00 0.28 H new ATOM 0 HB2 LEU A 4 75.276 8.786 -6.342 1.00 0.27 H new ATOM 0 HB3 LEU A 4 74.922 9.717 -7.784 1.00 0.27 H new ATOM 0 HG LEU A 4 77.645 9.402 -6.435 1.00 0.27 H new ATOM 0 HD11 LEU A 4 78.255 8.372 -8.624 1.00 0.36 H new ATOM 0 HD12 LEU A 4 76.904 7.504 -7.858 1.00 0.36 H new ATOM 0 HD13 LEU A 4 76.591 8.629 -9.200 1.00 0.36 H new ATOM 0 HD21 LEU A 4 78.559 10.810 -8.261 1.00 0.37 H new ATOM 0 HD22 LEU A 4 76.907 11.110 -8.854 1.00 0.37 H new ATOM 0 HD23 LEU A 4 77.404 11.719 -7.257 1.00 0.37 H new ATOM 67 N ALA A 5 73.764 10.449 -4.183 1.00 0.25 N ATOM 68 CA ALA A 5 72.436 10.456 -3.497 1.00 0.25 C ATOM 69 C ALA A 5 72.623 10.094 -2.023 1.00 0.23 C ATOM 70 O ALA A 5 73.591 9.454 -1.658 1.00 0.25 O ATOM 71 CB ALA A 5 71.599 9.392 -4.210 1.00 0.26 C ATOM 0 H ALA A 5 74.533 10.081 -3.624 1.00 0.25 H new ATOM 0 HA ALA A 5 71.953 11.432 -3.538 1.00 0.25 H new ATOM 0 HB1 ALA A 5 70.609 9.343 -3.756 1.00 0.26 H new ATOM 0 HB2 ALA A 5 71.503 9.651 -5.264 1.00 0.26 H new ATOM 0 HB3 ALA A 5 72.088 8.422 -4.118 1.00 0.26 H new ATOM 77 N LYS A 6 71.730 10.537 -1.172 1.00 0.22 N ATOM 78 CA LYS A 6 71.878 10.264 0.290 1.00 0.22 C ATOM 79 C LYS A 6 70.546 9.784 0.874 1.00 0.21 C ATOM 80 O LYS A 6 69.530 10.440 0.727 1.00 0.23 O ATOM 81 CB LYS A 6 72.274 11.613 0.890 1.00 0.24 C ATOM 82 CG LYS A 6 72.613 11.442 2.370 1.00 1.40 C ATOM 83 CD LYS A 6 73.073 12.783 2.945 1.00 1.50 C ATOM 84 CE LYS A 6 74.056 12.535 4.092 1.00 1.79 C ATOM 85 NZ LYS A 6 73.720 13.564 5.116 1.00 2.30 N ATOM 0 H LYS A 6 70.904 11.077 -1.428 1.00 0.22 H new ATOM 0 HA LYS A 6 72.612 9.486 0.501 1.00 0.22 H new ATOM 0 HB2 LYS A 6 73.132 12.021 0.356 1.00 0.24 H new ATOM 0 HB3 LYS A 6 71.458 12.326 0.775 1.00 0.24 H new ATOM 0 HG2 LYS A 6 71.741 11.080 2.915 1.00 1.40 H new ATOM 0 HG3 LYS A 6 73.397 10.694 2.491 1.00 1.40 H new ATOM 0 HD2 LYS A 6 73.548 13.381 2.167 1.00 1.50 H new ATOM 0 HD3 LYS A 6 72.215 13.351 3.304 1.00 1.50 H new ATOM 0 HE2 LYS A 6 73.948 11.528 4.494 1.00 1.79 H new ATOM 0 HE3 LYS A 6 75.088 12.635 3.756 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 74.533 14.199 5.250 1.00 2.30 H new ATOM 0 HZ2 LYS A 6 72.898 14.116 4.797 1.00 2.30 H new ATOM 0 HZ3 LYS A 6 73.494 13.096 6.017 1.00 2.30 H new ATOM 99 N PHE A 7 70.540 8.640 1.520 1.00 0.19 N ATOM 100 CA PHE A 7 69.264 8.110 2.097 1.00 0.19 C ATOM 101 C PHE A 7 69.541 7.248 3.338 1.00 0.17 C ATOM 102 O PHE A 7 70.665 6.868 3.595 1.00 0.16 O ATOM 103 CB PHE A 7 68.631 7.292 0.963 1.00 0.20 C ATOM 104 CG PHE A 7 69.515 6.121 0.583 1.00 0.19 C ATOM 105 CD1 PHE A 7 70.729 6.342 -0.151 1.00 0.19 C ATOM 106 CD2 PHE A 7 69.133 4.788 0.952 1.00 0.19 C ATOM 107 CE1 PHE A 7 71.560 5.229 -0.514 1.00 0.19 C ATOM 108 CE2 PHE A 7 69.964 3.677 0.587 1.00 0.20 C ATOM 109 CZ PHE A 7 71.176 3.897 -0.145 1.00 0.20 C ATOM 0 H PHE A 7 71.361 8.054 1.671 1.00 0.19 H new ATOM 0 HA PHE A 7 68.599 8.904 2.436 1.00 0.19 H new ATOM 0 HB2 PHE A 7 67.652 6.928 1.274 1.00 0.20 H new ATOM 0 HB3 PHE A 7 68.472 7.930 0.094 1.00 0.20 H new ATOM 0 HD1 PHE A 7 71.017 7.345 -0.430 1.00 0.19 H new ATOM 0 HD2 PHE A 7 68.220 4.621 1.504 1.00 0.19 H new ATOM 0 HE1 PHE A 7 72.474 5.395 -1.065 1.00 0.19 H new ATOM 0 HE2 PHE A 7 69.676 2.674 0.864 1.00 0.20 H new ATOM 0 HZ PHE A 7 71.801 3.060 -0.419 1.00 0.20 H new ATOM 119 N HIS A 8 68.530 7.001 4.137 1.00 0.18 N ATOM 120 CA HIS A 8 68.733 6.234 5.406 1.00 0.18 C ATOM 121 C HIS A 8 68.015 4.882 5.333 1.00 0.17 C ATOM 122 O HIS A 8 66.891 4.790 4.877 1.00 0.18 O ATOM 123 CB HIS A 8 68.110 7.105 6.497 1.00 0.20 C ATOM 124 CG HIS A 8 68.856 8.406 6.594 1.00 0.77 C ATOM 125 ND1 HIS A 8 68.490 9.524 5.859 1.00 1.41 N ATOM 126 CD2 HIS A 8 69.946 8.787 7.336 1.00 1.61 C ATOM 127 CE1 HIS A 8 69.346 10.514 6.174 1.00 1.81 C ATOM 128 NE2 HIS A 8 70.254 10.118 7.070 1.00 1.99 N ATOM 0 H HIS A 8 67.570 7.299 3.964 1.00 0.18 H new ATOM 0 HA HIS A 8 69.786 6.026 5.595 1.00 0.18 H new ATOM 0 HB2 HIS A 8 67.060 7.293 6.271 1.00 0.20 H new ATOM 0 HB3 HIS A 8 68.142 6.584 7.454 1.00 0.20 H new ATOM 0 HD2 HIS A 8 70.484 8.150 8.023 1.00 1.61 H new ATOM 0 HE1 HIS A 8 69.304 11.508 5.753 1.00 1.81 H new ATOM 0 HE2 HIS A 8 71.010 10.672 7.473 1.00 1.99 H new ATOM 136 N THR A 9 68.646 3.843 5.821 1.00 0.16 N ATOM 137 CA THR A 9 68.003 2.493 5.836 1.00 0.17 C ATOM 138 C THR A 9 68.552 1.670 7.013 1.00 0.16 C ATOM 139 O THR A 9 69.624 1.952 7.513 1.00 0.15 O ATOM 140 CB THR A 9 68.352 1.860 4.472 1.00 0.17 C ATOM 141 OG1 THR A 9 67.617 0.656 4.313 1.00 0.18 O ATOM 142 CG2 THR A 9 69.854 1.557 4.376 1.00 0.17 C ATOM 0 H THR A 9 69.587 3.873 6.213 1.00 0.16 H new ATOM 0 HA THR A 9 66.923 2.538 5.973 1.00 0.17 H new ATOM 0 HB THR A 9 68.091 2.566 3.684 1.00 0.17 H new ATOM 0 HG1 THR A 9 67.835 0.252 3.447 1.00 0.18 H new ATOM 0 HG21 THR A 9 70.074 1.112 3.406 1.00 0.17 H new ATOM 0 HG22 THR A 9 70.420 2.482 4.487 1.00 0.17 H new ATOM 0 HG23 THR A 9 70.136 0.862 5.167 1.00 0.17 H new ATOM 150 N THR A 10 67.871 0.617 7.402 1.00 0.17 N ATOM 151 CA THR A 10 68.413 -0.267 8.483 1.00 0.17 C ATOM 152 C THR A 10 68.804 -1.632 7.896 1.00 0.17 C ATOM 153 O THR A 10 68.388 -1.986 6.809 1.00 0.17 O ATOM 154 CB THR A 10 67.291 -0.377 9.551 1.00 0.17 C ATOM 155 OG1 THR A 10 67.836 -0.891 10.753 1.00 0.17 O ATOM 156 CG2 THR A 10 66.157 -1.306 9.102 1.00 0.17 C ATOM 0 H THR A 10 66.969 0.333 7.020 1.00 0.17 H new ATOM 0 HA THR A 10 69.318 0.136 8.937 1.00 0.17 H new ATOM 0 HB THR A 10 66.882 0.623 9.698 1.00 0.17 H new ATOM 0 HG1 THR A 10 68.767 -1.158 10.602 1.00 0.17 H new ATOM 0 HG21 THR A 10 65.395 -1.352 9.880 1.00 0.17 H new ATOM 0 HG22 THR A 10 65.714 -0.922 8.183 1.00 0.17 H new ATOM 0 HG23 THR A 10 66.554 -2.305 8.923 1.00 0.17 H new ATOM 164 N VAL A 11 69.647 -2.357 8.583 1.00 0.17 N ATOM 165 CA VAL A 11 70.131 -3.665 8.044 1.00 0.17 C ATOM 166 C VAL A 11 69.059 -4.742 8.224 1.00 0.17 C ATOM 167 O VAL A 11 68.473 -4.874 9.278 1.00 0.17 O ATOM 168 CB VAL A 11 71.385 -4.012 8.861 1.00 0.21 C ATOM 169 CG1 VAL A 11 71.989 -5.327 8.349 1.00 0.29 C ATOM 170 CG2 VAL A 11 72.423 -2.887 8.728 1.00 0.49 C ATOM 0 H VAL A 11 70.023 -2.100 9.496 1.00 0.17 H new ATOM 0 HA VAL A 11 70.351 -3.607 6.978 1.00 0.17 H new ATOM 0 HB VAL A 11 71.107 -4.124 9.909 1.00 0.21 H new ATOM 0 HG11 VAL A 11 72.878 -5.570 8.931 1.00 0.29 H new ATOM 0 HG12 VAL A 11 71.257 -6.128 8.453 1.00 0.29 H new ATOM 0 HG13 VAL A 11 72.261 -5.218 7.299 1.00 0.29 H new ATOM 0 HG21 VAL A 11 73.310 -3.139 9.310 1.00 0.49 H new ATOM 0 HG22 VAL A 11 72.698 -2.768 7.680 1.00 0.49 H new ATOM 0 HG23 VAL A 11 71.998 -1.954 9.100 1.00 0.49 H new ATOM 180 N HIS A 12 68.883 -5.568 7.228 1.00 0.21 N ATOM 181 CA HIS A 12 67.950 -6.727 7.347 1.00 0.25 C ATOM 182 C HIS A 12 68.727 -8.028 7.178 1.00 0.25 C ATOM 183 O HIS A 12 69.915 -8.023 6.918 1.00 0.25 O ATOM 184 CB HIS A 12 66.923 -6.573 6.226 1.00 0.26 C ATOM 185 CG HIS A 12 65.817 -5.664 6.686 1.00 0.31 C ATOM 186 ND1 HIS A 12 66.036 -4.330 6.989 1.00 0.24 N ATOM 187 CD2 HIS A 12 64.481 -5.884 6.906 1.00 0.68 C ATOM 188 CE1 HIS A 12 64.859 -3.802 7.372 1.00 0.23 C ATOM 189 NE2 HIS A 12 63.877 -4.708 7.339 1.00 0.56 N ATOM 0 H HIS A 12 69.352 -5.488 6.326 1.00 0.21 H new ATOM 0 HA HIS A 12 67.462 -6.752 8.321 1.00 0.25 H new ATOM 0 HB2 HIS A 12 67.399 -6.163 5.335 1.00 0.26 H new ATOM 0 HB3 HIS A 12 66.518 -7.547 5.952 1.00 0.26 H new ATOM 0 HD2 HIS A 12 63.975 -6.827 6.764 1.00 0.68 H new ATOM 0 HE1 HIS A 12 64.724 -2.773 7.670 1.00 0.23 H new ATOM 0 HE2 HIS A 12 62.896 -4.567 7.580 1.00 0.56 H new ATOM 197 N ARG A 13 68.082 -9.142 7.415 1.00 0.29 N ATOM 198 CA ARG A 13 68.782 -10.475 7.373 1.00 0.32 C ATOM 199 C ARG A 13 69.677 -10.619 6.125 1.00 0.29 C ATOM 200 O ARG A 13 69.488 -9.948 5.132 1.00 0.24 O ATOM 201 CB ARG A 13 67.646 -11.496 7.316 1.00 0.36 C ATOM 202 CG ARG A 13 66.918 -11.530 8.660 1.00 0.72 C ATOM 203 CD ARG A 13 65.850 -12.626 8.634 1.00 1.16 C ATOM 204 NE ARG A 13 65.065 -12.438 9.896 1.00 1.81 N ATOM 205 CZ ARG A 13 63.834 -12.901 10.027 1.00 2.39 C ATOM 206 NH1 ARG A 13 63.231 -13.562 9.061 1.00 2.96 N ATOM 207 NH2 ARG A 13 63.198 -12.701 11.149 1.00 2.76 N ATOM 0 H ARG A 13 67.088 -9.191 7.639 1.00 0.29 H new ATOM 0 HA ARG A 13 69.441 -10.605 8.232 1.00 0.32 H new ATOM 0 HB2 ARG A 13 66.949 -11.235 6.520 1.00 0.36 H new ATOM 0 HB3 ARG A 13 68.043 -12.484 7.081 1.00 0.36 H new ATOM 0 HG2 ARG A 13 67.628 -11.718 9.466 1.00 0.72 H new ATOM 0 HG3 ARG A 13 66.457 -10.563 8.861 1.00 0.72 H new ATOM 0 HD2 ARG A 13 65.212 -12.533 7.755 1.00 1.16 H new ATOM 0 HD3 ARG A 13 66.303 -13.617 8.596 1.00 1.16 H new ATOM 0 HE ARG A 13 65.492 -11.939 10.676 1.00 1.81 H new ATOM 0 HH11 ARG A 13 63.715 -13.730 8.179 1.00 2.96 H new ATOM 0 HH12 ARG A 13 62.280 -13.906 9.195 1.00 2.96 H new ATOM 0 HH21 ARG A 13 63.652 -12.194 11.909 1.00 2.76 H new ATOM 0 HH22 ARG A 13 62.247 -13.052 11.266 1.00 2.76 H new ATOM 221 N ILE A 14 70.716 -11.420 6.228 1.00 0.34 N ATOM 222 CA ILE A 14 71.731 -11.573 5.119 1.00 0.34 C ATOM 223 C ILE A 14 72.479 -10.257 4.813 1.00 0.28 C ATOM 224 O ILE A 14 73.237 -10.198 3.860 1.00 0.29 O ATOM 225 CB ILE A 14 70.961 -12.036 3.865 1.00 0.36 C ATOM 226 CG1 ILE A 14 70.134 -13.286 4.180 1.00 0.31 C ATOM 227 CG2 ILE A 14 71.959 -12.369 2.755 1.00 0.42 C ATOM 228 CD1 ILE A 14 69.152 -13.542 3.035 1.00 0.36 C ATOM 0 H ILE A 14 70.911 -11.989 7.052 1.00 0.34 H new ATOM 0 HA ILE A 14 72.489 -12.294 5.425 1.00 0.34 H new ATOM 0 HB ILE A 14 70.294 -11.236 3.546 1.00 0.36 H new ATOM 0 HG12 ILE A 14 70.790 -14.147 4.312 1.00 0.31 H new ATOM 0 HG13 ILE A 14 69.592 -13.152 5.116 1.00 0.31 H new ATOM 0 HG21 ILE A 14 71.419 -12.697 1.867 1.00 0.42 H new ATOM 0 HG22 ILE A 14 72.547 -11.483 2.516 1.00 0.42 H new ATOM 0 HG23 ILE A 14 72.624 -13.165 3.090 1.00 0.42 H new ATOM 0 HD11 ILE A 14 68.561 -14.431 3.255 1.00 0.36 H new ATOM 0 HD12 ILE A 14 68.489 -12.684 2.925 1.00 0.36 H new ATOM 0 HD13 ILE A 14 69.705 -13.694 2.108 1.00 0.36 H new ATOM 240 N GLY A 15 72.296 -9.214 5.598 1.00 0.24 N ATOM 241 CA GLY A 15 73.020 -7.932 5.330 1.00 0.20 C ATOM 242 C GLY A 15 72.355 -7.176 4.169 1.00 0.17 C ATOM 243 O GLY A 15 72.961 -6.302 3.574 1.00 0.15 O ATOM 0 H GLY A 15 71.678 -9.200 6.409 1.00 0.24 H new ATOM 0 HA2 GLY A 15 73.018 -7.311 6.226 1.00 0.20 H new ATOM 0 HA3 GLY A 15 74.063 -8.139 5.088 1.00 0.20 H new ATOM 247 N ARG A 16 71.138 -7.533 3.808 1.00 0.18 N ATOM 248 CA ARG A 16 70.468 -6.862 2.652 1.00 0.18 C ATOM 249 C ARG A 16 69.784 -5.572 3.112 1.00 0.19 C ATOM 250 O ARG A 16 69.169 -5.532 4.159 1.00 0.24 O ATOM 251 CB ARG A 16 69.431 -7.876 2.153 1.00 0.26 C ATOM 252 CG ARG A 16 68.699 -7.311 0.931 1.00 0.26 C ATOM 253 CD ARG A 16 67.704 -8.348 0.405 1.00 0.76 C ATOM 254 NE ARG A 16 66.624 -8.417 1.442 1.00 0.91 N ATOM 255 CZ ARG A 16 65.823 -9.464 1.545 1.00 1.31 C ATOM 256 NH1 ARG A 16 65.929 -10.504 0.747 1.00 1.96 N ATOM 257 NH2 ARG A 16 64.900 -9.466 2.468 1.00 1.41 N ATOM 0 H ARG A 16 70.586 -8.258 4.266 1.00 0.18 H new ATOM 0 HA ARG A 16 71.174 -6.583 1.870 1.00 0.18 H new ATOM 0 HB2 ARG A 16 69.922 -8.814 1.893 1.00 0.26 H new ATOM 0 HB3 ARG A 16 68.717 -8.099 2.945 1.00 0.26 H new ATOM 0 HG2 ARG A 16 68.176 -6.393 1.200 1.00 0.26 H new ATOM 0 HG3 ARG A 16 69.416 -7.052 0.152 1.00 0.26 H new ATOM 0 HD2 ARG A 16 67.302 -8.052 -0.564 1.00 0.76 H new ATOM 0 HD3 ARG A 16 68.182 -9.318 0.269 1.00 0.76 H new ATOM 0 HE ARG A 16 66.504 -7.635 2.086 1.00 0.91 H new ATOM 0 HH11 ARG A 16 66.646 -10.519 0.021 1.00 1.96 H new ATOM 0 HH12 ARG A 16 65.295 -11.296 0.854 1.00 1.96 H new ATOM 0 HH21 ARG A 16 64.805 -8.668 3.096 1.00 1.41 H new ATOM 0 HH22 ARG A 16 64.274 -10.266 2.561 1.00 1.41 H new ATOM 271 N ILE A 17 69.764 -4.576 2.263 1.00 0.18 N ATOM 272 CA ILE A 17 68.961 -3.348 2.549 1.00 0.21 C ATOM 273 C ILE A 17 68.152 -2.970 1.302 1.00 0.19 C ATOM 274 O ILE A 17 68.559 -3.262 0.193 1.00 0.15 O ATOM 275 CB ILE A 17 69.982 -2.257 2.908 1.00 0.24 C ATOM 276 CG1 ILE A 17 70.933 -2.012 1.728 1.00 0.23 C ATOM 277 CG2 ILE A 17 70.795 -2.695 4.128 1.00 0.26 C ATOM 278 CD1 ILE A 17 71.759 -0.744 1.976 1.00 0.30 C ATOM 0 H ILE A 17 70.272 -4.561 1.379 1.00 0.18 H new ATOM 0 HA ILE A 17 68.250 -3.490 3.362 1.00 0.21 H new ATOM 0 HB ILE A 17 69.446 -1.335 3.134 1.00 0.24 H new ATOM 0 HG12 ILE A 17 71.595 -2.868 1.600 1.00 0.23 H new ATOM 0 HG13 ILE A 17 70.362 -1.910 0.805 1.00 0.23 H new ATOM 0 HG21 ILE A 17 71.518 -1.920 4.381 1.00 0.26 H new ATOM 0 HG22 ILE A 17 70.125 -2.856 4.973 1.00 0.26 H new ATOM 0 HG23 ILE A 17 71.321 -3.622 3.901 1.00 0.26 H new ATOM 0 HD11 ILE A 17 72.431 -0.577 1.134 1.00 0.30 H new ATOM 0 HD12 ILE A 17 71.091 0.111 2.082 1.00 0.30 H new ATOM 0 HD13 ILE A 17 72.343 -0.863 2.889 1.00 0.30 H new ATOM 290 N ILE A 18 67.052 -2.277 1.471 1.00 0.23 N ATOM 291 CA ILE A 18 66.263 -1.822 0.283 1.00 0.20 C ATOM 292 C ILE A 18 66.271 -0.299 0.202 1.00 0.20 C ATOM 293 O ILE A 18 65.885 0.378 1.138 1.00 0.22 O ATOM 294 CB ILE A 18 64.830 -2.328 0.499 1.00 0.23 C ATOM 295 CG1 ILE A 18 64.817 -3.853 0.728 1.00 0.25 C ATOM 296 CG2 ILE A 18 63.983 -1.987 -0.734 1.00 0.22 C ATOM 297 CD1 ILE A 18 65.455 -4.581 -0.461 1.00 0.24 C ATOM 0 H ILE A 18 66.667 -2.008 2.376 1.00 0.23 H new ATOM 0 HA ILE A 18 66.686 -2.206 -0.645 1.00 0.20 H new ATOM 0 HB ILE A 18 64.416 -1.843 1.383 1.00 0.23 H new ATOM 0 HG12 ILE A 18 65.359 -4.094 1.643 1.00 0.25 H new ATOM 0 HG13 ILE A 18 63.792 -4.197 0.865 1.00 0.25 H new ATOM 0 HG21 ILE A 18 62.964 -2.344 -0.586 1.00 0.22 H new ATOM 0 HG22 ILE A 18 63.971 -0.907 -0.880 1.00 0.22 H new ATOM 0 HG23 ILE A 18 64.411 -2.467 -1.614 1.00 0.22 H new ATOM 0 HD11 ILE A 18 65.437 -5.656 -0.282 1.00 0.24 H new ATOM 0 HD12 ILE A 18 64.895 -4.355 -1.369 1.00 0.24 H new ATOM 0 HD13 ILE A 18 66.487 -4.250 -0.579 1.00 0.24 H new ATOM 309 N ILE A 19 66.628 0.237 -0.937 1.00 0.17 N ATOM 310 CA ILE A 19 66.568 1.720 -1.118 1.00 0.17 C ATOM 311 C ILE A 19 65.121 2.140 -1.417 1.00 0.19 C ATOM 312 O ILE A 19 64.437 1.462 -2.155 1.00 0.17 O ATOM 313 CB ILE A 19 67.490 2.030 -2.310 1.00 0.16 C ATOM 314 CG1 ILE A 19 68.912 1.526 -1.977 1.00 0.20 C ATOM 315 CG2 ILE A 19 67.499 3.550 -2.547 1.00 0.15 C ATOM 316 CD1 ILE A 19 69.919 1.938 -3.057 1.00 0.23 C ATOM 0 H ILE A 19 66.958 -0.286 -1.748 1.00 0.17 H new ATOM 0 HA ILE A 19 66.886 2.263 -0.228 1.00 0.17 H new ATOM 0 HB ILE A 19 67.137 1.533 -3.213 1.00 0.16 H new ATOM 0 HG12 ILE A 19 69.225 1.927 -1.013 1.00 0.20 H new ATOM 0 HG13 ILE A 19 68.902 0.440 -1.882 1.00 0.20 H new ATOM 0 HG21 ILE A 19 68.149 3.783 -3.390 1.00 0.15 H new ATOM 0 HG22 ILE A 19 66.487 3.890 -2.765 1.00 0.15 H new ATOM 0 HG23 ILE A 19 67.867 4.055 -1.654 1.00 0.15 H new ATOM 0 HD11 ILE A 19 70.909 1.567 -2.792 1.00 0.23 H new ATOM 0 HD12 ILE A 19 69.618 1.515 -4.015 1.00 0.23 H new ATOM 0 HD13 ILE A 19 69.947 3.025 -3.133 1.00 0.23 H new ATOM 328 N PRO A 20 64.718 3.296 -0.925 1.00 0.24 N ATOM 329 CA PRO A 20 63.371 3.825 -1.273 1.00 0.28 C ATOM 330 C PRO A 20 63.288 4.084 -2.770 1.00 0.26 C ATOM 331 O PRO A 20 64.249 4.503 -3.384 1.00 0.25 O ATOM 332 CB PRO A 20 63.291 5.133 -0.498 1.00 0.34 C ATOM 333 CG PRO A 20 64.722 5.512 -0.310 1.00 0.35 C ATOM 334 CD PRO A 20 65.431 4.222 -0.026 1.00 0.29 C ATOM 0 HA PRO A 20 62.560 3.140 -1.028 1.00 0.28 H new ATOM 0 HB2 PRO A 20 62.743 5.895 -1.052 1.00 0.34 H new ATOM 0 HB3 PRO A 20 62.781 5.004 0.457 1.00 0.34 H new ATOM 0 HG2 PRO A 20 65.123 5.995 -1.201 1.00 0.35 H new ATOM 0 HG3 PRO A 20 64.839 6.216 0.514 1.00 0.35 H new ATOM 0 HD2 PRO A 20 66.495 4.279 -0.255 1.00 0.29 H new ATOM 0 HD3 PRO A 20 65.345 3.927 1.020 1.00 0.29 H new ATOM 342 N ALA A 21 62.153 3.819 -3.359 1.00 0.28 N ATOM 343 CA ALA A 21 62.002 4.014 -4.837 1.00 0.29 C ATOM 344 C ALA A 21 62.313 5.465 -5.221 1.00 0.31 C ATOM 345 O ALA A 21 62.735 5.743 -6.329 1.00 0.32 O ATOM 346 CB ALA A 21 60.540 3.683 -5.144 1.00 0.33 C ATOM 0 H ALA A 21 61.320 3.475 -2.882 1.00 0.28 H new ATOM 0 HA ALA A 21 62.688 3.382 -5.401 1.00 0.29 H new ATOM 0 HB1 ALA A 21 60.356 3.804 -6.211 1.00 0.33 H new ATOM 0 HB2 ALA A 21 60.332 2.653 -4.855 1.00 0.33 H new ATOM 0 HB3 ALA A 21 59.890 4.356 -4.585 1.00 0.33 H new ATOM 352 N GLY A 22 62.110 6.388 -4.309 1.00 0.34 N ATOM 353 CA GLY A 22 62.389 7.825 -4.619 1.00 0.38 C ATOM 354 C GLY A 22 63.883 8.021 -4.878 1.00 0.37 C ATOM 355 O GLY A 22 64.274 8.712 -5.803 1.00 0.39 O ATOM 0 H GLY A 22 61.764 6.207 -3.367 1.00 0.34 H new ATOM 0 HA2 GLY A 22 61.816 8.135 -5.493 1.00 0.38 H new ATOM 0 HA3 GLY A 22 62.070 8.454 -3.788 1.00 0.38 H new ATOM 359 N THR A 23 64.720 7.429 -4.061 1.00 0.34 N ATOM 360 CA THR A 23 66.196 7.594 -4.246 1.00 0.34 C ATOM 361 C THR A 23 66.650 6.852 -5.507 1.00 0.30 C ATOM 362 O THR A 23 67.458 7.354 -6.264 1.00 0.32 O ATOM 363 CB THR A 23 66.845 7.002 -2.985 1.00 0.34 C ATOM 364 OG1 THR A 23 66.402 7.715 -1.834 1.00 0.39 O ATOM 365 CG2 THR A 23 68.371 7.115 -3.088 1.00 0.37 C ATOM 0 H THR A 23 64.446 6.840 -3.275 1.00 0.34 H new ATOM 0 HA THR A 23 66.481 8.638 -4.375 1.00 0.34 H new ATOM 0 HB THR A 23 66.559 5.954 -2.898 1.00 0.34 H new ATOM 0 HG1 THR A 23 67.089 8.360 -1.564 1.00 0.39 H new ATOM 0 HG21 THR A 23 68.828 6.694 -2.192 1.00 0.37 H new ATOM 0 HG22 THR A 23 68.718 6.567 -3.964 1.00 0.37 H new ATOM 0 HG23 THR A 23 68.653 8.164 -3.181 1.00 0.37 H new ATOM 373 N ARG A 24 66.085 5.693 -5.781 1.00 0.26 N ATOM 374 CA ARG A 24 66.439 4.959 -7.056 1.00 0.25 C ATOM 375 C ARG A 24 66.186 5.875 -8.259 1.00 0.28 C ATOM 376 O ARG A 24 66.934 5.893 -9.213 1.00 0.29 O ATOM 377 CB ARG A 24 65.508 3.737 -7.175 1.00 0.25 C ATOM 378 CG ARG A 24 65.400 2.964 -5.858 1.00 0.23 C ATOM 379 CD ARG A 24 65.039 1.509 -6.150 1.00 0.24 C ATOM 380 NE ARG A 24 64.246 1.064 -4.963 1.00 0.27 N ATOM 381 CZ ARG A 24 63.370 0.077 -5.038 1.00 0.34 C ATOM 382 NH1 ARG A 24 63.154 -0.585 -6.153 1.00 0.40 N ATOM 383 NH2 ARG A 24 62.703 -0.251 -3.967 1.00 0.39 N ATOM 0 H ARG A 24 65.401 5.225 -5.187 1.00 0.26 H new ATOM 0 HA ARG A 24 67.486 4.657 -7.036 1.00 0.25 H new ATOM 0 HB2 ARG A 24 64.516 4.067 -7.484 1.00 0.25 H new ATOM 0 HB3 ARG A 24 65.880 3.073 -7.955 1.00 0.25 H new ATOM 0 HG2 ARG A 24 66.344 3.014 -5.316 1.00 0.23 H new ATOM 0 HG3 ARG A 24 64.642 3.417 -5.219 1.00 0.23 H new ATOM 0 HD2 ARG A 24 64.458 1.423 -7.068 1.00 0.24 H new ATOM 0 HD3 ARG A 24 65.933 0.899 -6.280 1.00 0.24 H new ATOM 0 HE ARG A 24 64.385 1.536 -4.069 1.00 0.27 H new ATOM 0 HH11 ARG A 24 63.671 -0.343 -6.998 1.00 0.40 H new ATOM 0 HH12 ARG A 24 62.470 -1.341 -6.173 1.00 0.40 H new ATOM 0 HH21 ARG A 24 62.862 0.251 -3.093 1.00 0.39 H new ATOM 0 HH22 ARG A 24 62.022 -1.010 -4.003 1.00 0.39 H new ATOM 397 N LYS A 25 65.098 6.600 -8.214 1.00 0.32 N ATOM 398 CA LYS A 25 64.726 7.495 -9.352 1.00 0.37 C ATOM 399 C LYS A 25 65.760 8.612 -9.503 1.00 0.38 C ATOM 400 O LYS A 25 66.272 8.853 -10.578 1.00 0.40 O ATOM 401 CB LYS A 25 63.357 8.074 -8.970 1.00 0.42 C ATOM 402 CG LYS A 25 62.842 8.974 -10.090 1.00 1.08 C ATOM 403 CD LYS A 25 61.485 9.558 -9.692 1.00 1.68 C ATOM 404 CE LYS A 25 60.894 10.328 -10.875 1.00 2.42 C ATOM 405 NZ LYS A 25 60.000 11.349 -10.262 1.00 2.97 N ATOM 0 H LYS A 25 64.445 6.611 -7.430 1.00 0.32 H new ATOM 0 HA LYS A 25 64.692 6.964 -10.303 1.00 0.37 H new ATOM 0 HB2 LYS A 25 62.649 7.266 -8.787 1.00 0.42 H new ATOM 0 HB3 LYS A 25 63.439 8.642 -8.044 1.00 0.42 H new ATOM 0 HG2 LYS A 25 63.553 9.777 -10.282 1.00 1.08 H new ATOM 0 HG3 LYS A 25 62.748 8.404 -11.014 1.00 1.08 H new ATOM 0 HD2 LYS A 25 60.808 8.759 -9.390 1.00 1.68 H new ATOM 0 HD3 LYS A 25 61.600 10.220 -8.834 1.00 1.68 H new ATOM 0 HE2 LYS A 25 61.677 10.796 -11.472 1.00 2.42 H new ATOM 0 HE3 LYS A 25 60.339 9.666 -11.540 1.00 2.42 H new ATOM 0 HZ1 LYS A 25 59.557 11.918 -11.012 1.00 2.97 H new ATOM 0 HZ2 LYS A 25 59.261 10.874 -9.705 1.00 2.97 H new ATOM 0 HZ3 LYS A 25 60.557 11.969 -9.640 1.00 2.97 H new ATOM 419 N PHE A 26 66.073 9.283 -8.425 1.00 0.38 N ATOM 420 CA PHE A 26 67.075 10.402 -8.484 1.00 0.42 C ATOM 421 C PHE A 26 68.416 9.902 -9.033 1.00 0.42 C ATOM 422 O PHE A 26 69.110 10.613 -9.736 1.00 0.46 O ATOM 423 CB PHE A 26 67.228 10.877 -7.035 1.00 0.43 C ATOM 424 CG PHE A 26 68.151 12.072 -6.985 1.00 0.51 C ATOM 425 CD1 PHE A 26 67.688 13.356 -7.429 1.00 0.55 C ATOM 426 CD2 PHE A 26 69.491 11.921 -6.495 1.00 0.56 C ATOM 427 CE1 PHE A 26 68.567 14.490 -7.381 1.00 0.63 C ATOM 428 CE2 PHE A 26 70.369 13.056 -6.448 1.00 0.64 C ATOM 429 CZ PHE A 26 69.907 14.340 -6.891 1.00 0.67 C ATOM 0 H PHE A 26 65.679 9.107 -7.501 1.00 0.38 H new ATOM 0 HA PHE A 26 66.750 11.205 -9.145 1.00 0.42 H new ATOM 0 HB2 PHE A 26 66.254 11.141 -6.624 1.00 0.43 H new ATOM 0 HB3 PHE A 26 67.627 10.071 -6.418 1.00 0.43 H new ATOM 0 HD1 PHE A 26 66.680 13.469 -7.799 1.00 0.55 H new ATOM 0 HD2 PHE A 26 69.839 10.954 -6.162 1.00 0.56 H new ATOM 0 HE1 PHE A 26 68.219 15.457 -7.714 1.00 0.63 H new ATOM 0 HE2 PHE A 26 71.378 12.943 -6.079 1.00 0.64 H new ATOM 0 HZ PHE A 26 70.568 15.193 -6.856 1.00 0.67 H new ATOM 439 N TYR A 27 68.805 8.712 -8.660 1.00 0.39 N ATOM 440 CA TYR A 27 70.136 8.175 -9.091 1.00 0.42 C ATOM 441 C TYR A 27 70.039 7.464 -10.455 1.00 0.35 C ATOM 442 O TYR A 27 71.043 7.225 -11.100 1.00 0.37 O ATOM 443 CB TYR A 27 70.511 7.183 -7.986 1.00 0.46 C ATOM 444 CG TYR A 27 71.906 6.636 -8.193 1.00 0.67 C ATOM 445 CD1 TYR A 27 72.153 5.634 -9.192 1.00 0.85 C ATOM 446 CD2 TYR A 27 72.983 7.100 -7.366 1.00 0.95 C ATOM 447 CE1 TYR A 27 73.472 5.099 -9.364 1.00 1.10 C ATOM 448 CE2 TYR A 27 74.300 6.556 -7.533 1.00 1.16 C ATOM 449 CZ TYR A 27 74.544 5.557 -8.531 1.00 1.18 C ATOM 450 OH TYR A 27 75.807 5.030 -8.681 1.00 1.44 O ATOM 0 H TYR A 27 68.258 8.083 -8.072 1.00 0.39 H new ATOM 0 HA TYR A 27 70.878 8.963 -9.221 1.00 0.42 H new ATOM 0 HB2 TYR A 27 70.451 7.676 -7.016 1.00 0.46 H new ATOM 0 HB3 TYR A 27 69.794 6.362 -7.972 1.00 0.46 H new ATOM 0 HD1 TYR A 27 71.344 5.283 -9.815 1.00 0.85 H new ATOM 0 HD2 TYR A 27 72.802 7.858 -6.618 1.00 0.95 H new ATOM 0 HE1 TYR A 27 73.657 4.351 -10.121 1.00 1.10 H new ATOM 0 HE2 TYR A 27 75.109 6.900 -6.905 1.00 1.16 H new ATOM 0 HH TYR A 27 76.389 5.367 -7.968 1.00 1.44 H new ATOM 460 N GLY A 28 68.843 7.158 -10.919 1.00 0.31 N ATOM 461 CA GLY A 28 68.701 6.497 -12.252 1.00 0.29 C ATOM 462 C GLY A 28 69.085 5.015 -12.135 1.00 0.26 C ATOM 463 O GLY A 28 69.808 4.493 -12.962 1.00 0.27 O ATOM 0 H GLY A 28 67.966 7.339 -10.430 1.00 0.31 H new ATOM 0 HA2 GLY A 28 67.675 6.590 -12.608 1.00 0.29 H new ATOM 0 HA3 GLY A 28 69.339 6.992 -12.984 1.00 0.29 H new ATOM 467 N ILE A 29 68.649 4.353 -11.086 1.00 0.24 N ATOM 468 CA ILE A 29 69.036 2.919 -10.880 1.00 0.23 C ATOM 469 C ILE A 29 68.054 1.988 -11.599 1.00 0.20 C ATOM 470 O ILE A 29 66.872 1.976 -11.310 1.00 0.22 O ATOM 471 CB ILE A 29 68.974 2.682 -9.361 1.00 0.29 C ATOM 472 CG1 ILE A 29 69.937 3.640 -8.656 1.00 0.35 C ATOM 473 CG2 ILE A 29 69.376 1.236 -9.045 1.00 0.34 C ATOM 474 CD1 ILE A 29 69.818 3.497 -7.133 1.00 0.42 C ATOM 0 H ILE A 29 68.043 4.744 -10.365 1.00 0.24 H new ATOM 0 HA ILE A 29 70.028 2.713 -11.282 1.00 0.23 H new ATOM 0 HB ILE A 29 67.957 2.860 -9.011 1.00 0.29 H new ATOM 0 HG12 ILE A 29 70.960 3.431 -8.968 1.00 0.35 H new ATOM 0 HG13 ILE A 29 69.718 4.667 -8.949 1.00 0.35 H new ATOM 0 HG21 ILE A 29 69.331 1.073 -7.968 1.00 0.34 H new ATOM 0 HG22 ILE A 29 68.692 0.551 -9.545 1.00 0.34 H new ATOM 0 HG23 ILE A 29 70.392 1.056 -9.397 1.00 0.34 H new ATOM 0 HD11 ILE A 29 70.510 4.186 -6.648 1.00 0.42 H new ATOM 0 HD12 ILE A 29 68.799 3.729 -6.824 1.00 0.42 H new ATOM 0 HD13 ILE A 29 70.061 2.475 -6.843 1.00 0.42 H new ATOM 486 N GLU A 30 68.578 1.089 -12.391 1.00 0.17 N ATOM 487 CA GLU A 30 67.736 0.003 -12.974 1.00 0.18 C ATOM 488 C GLU A 30 68.397 -1.346 -12.687 1.00 0.17 C ATOM 489 O GLU A 30 69.583 -1.411 -12.417 1.00 0.18 O ATOM 490 CB GLU A 30 67.699 0.280 -14.478 1.00 0.22 C ATOM 491 CG GLU A 30 67.057 1.651 -14.732 1.00 1.06 C ATOM 492 CD GLU A 30 66.940 1.917 -16.241 1.00 1.14 C ATOM 493 OE1 GLU A 30 67.637 1.265 -17.008 1.00 1.82 O ATOM 494 OE2 GLU A 30 66.152 2.774 -16.607 1.00 1.37 O ATOM 0 H GLU A 30 69.561 1.061 -12.661 1.00 0.17 H new ATOM 0 HA GLU A 30 66.730 -0.024 -12.555 1.00 0.18 H new ATOM 0 HB2 GLU A 30 68.709 0.258 -14.887 1.00 0.22 H new ATOM 0 HB3 GLU A 30 67.132 -0.499 -14.988 1.00 0.22 H new ATOM 0 HG2 GLU A 30 66.069 1.688 -14.272 1.00 1.06 H new ATOM 0 HG3 GLU A 30 67.656 2.432 -14.264 1.00 1.06 H new ATOM 501 N GLN A 31 67.644 -2.421 -12.719 1.00 0.20 N ATOM 502 CA GLN A 31 68.237 -3.766 -12.412 1.00 0.20 C ATOM 503 C GLN A 31 69.403 -4.066 -13.359 1.00 0.19 C ATOM 504 O GLN A 31 69.343 -3.782 -14.542 1.00 0.20 O ATOM 505 CB GLN A 31 67.110 -4.773 -12.631 1.00 0.25 C ATOM 506 CG GLN A 31 67.560 -6.158 -12.153 1.00 1.08 C ATOM 507 CD GLN A 31 66.425 -7.173 -12.338 1.00 1.10 C ATOM 508 OE1 GLN A 31 65.298 -6.810 -12.618 1.00 0.70 O ATOM 509 NE2 GLN A 31 66.679 -8.445 -12.192 1.00 1.99 N ATOM 0 H GLN A 31 66.649 -2.427 -12.943 1.00 0.20 H new ATOM 0 HA GLN A 31 68.628 -3.809 -11.395 1.00 0.20 H new ATOM 0 HB2 GLN A 31 66.219 -4.461 -12.087 1.00 0.25 H new ATOM 0 HB3 GLN A 31 66.842 -4.811 -13.687 1.00 0.25 H new ATOM 0 HG2 GLN A 31 68.439 -6.477 -12.713 1.00 1.08 H new ATOM 0 HG3 GLN A 31 67.850 -6.113 -11.103 1.00 1.08 H new ATOM 0 HE21 GLN A 31 67.623 -8.753 -11.957 1.00 1.99 H new ATOM 0 HE22 GLN A 31 65.934 -9.131 -12.313 1.00 1.99 H new ATOM 518 N GLY A 32 70.448 -4.653 -12.842 1.00 0.18 N ATOM 519 CA GLY A 32 71.622 -5.004 -13.693 1.00 0.19 C ATOM 520 C GLY A 32 72.681 -3.890 -13.650 1.00 0.17 C ATOM 521 O GLY A 32 73.823 -4.116 -14.007 1.00 0.18 O ATOM 0 H GLY A 32 70.540 -4.907 -11.858 1.00 0.18 H new ATOM 0 HA2 GLY A 32 72.059 -5.941 -13.348 1.00 0.19 H new ATOM 0 HA3 GLY A 32 71.297 -5.163 -14.721 1.00 0.19 H new ATOM 525 N ASP A 33 72.332 -2.701 -13.192 1.00 0.15 N ATOM 526 CA ASP A 33 73.351 -1.603 -13.105 1.00 0.14 C ATOM 527 C ASP A 33 74.262 -1.825 -11.899 1.00 0.13 C ATOM 528 O ASP A 33 73.858 -2.424 -10.921 1.00 0.14 O ATOM 529 CB ASP A 33 72.549 -0.312 -12.933 1.00 0.13 C ATOM 530 CG ASP A 33 71.753 -0.008 -14.207 1.00 0.17 C ATOM 531 OD1 ASP A 33 72.145 -0.471 -15.267 1.00 1.12 O ATOM 532 OD2 ASP A 33 70.765 0.696 -14.096 1.00 1.07 O ATOM 0 H ASP A 33 71.394 -2.450 -12.879 1.00 0.15 H new ATOM 0 HA ASP A 33 73.987 -1.568 -13.989 1.00 0.14 H new ATOM 0 HB2 ASP A 33 71.870 -0.408 -12.086 1.00 0.13 H new ATOM 0 HB3 ASP A 33 73.222 0.516 -12.710 1.00 0.13 H new ATOM 537 N PHE A 34 75.443 -1.253 -11.915 1.00 0.12 N ATOM 538 CA PHE A 34 76.328 -1.323 -10.718 1.00 0.11 C ATOM 539 C PHE A 34 76.465 0.065 -10.102 1.00 0.10 C ATOM 540 O PHE A 34 76.692 1.033 -10.801 1.00 0.11 O ATOM 541 CB PHE A 34 77.679 -1.808 -11.242 1.00 0.12 C ATOM 542 CG PHE A 34 77.578 -3.264 -11.631 1.00 0.15 C ATOM 543 CD1 PHE A 34 77.159 -3.627 -12.954 1.00 0.17 C ATOM 544 CD2 PHE A 34 77.904 -4.284 -10.674 1.00 0.16 C ATOM 545 CE1 PHE A 34 77.064 -5.010 -13.321 1.00 0.20 C ATOM 546 CE2 PHE A 34 77.810 -5.667 -11.043 1.00 0.20 C ATOM 547 CZ PHE A 34 77.390 -6.031 -12.366 1.00 0.21 C ATOM 0 H PHE A 34 75.829 -0.741 -12.708 1.00 0.12 H new ATOM 0 HA PHE A 34 75.934 -1.987 -9.948 1.00 0.11 H new ATOM 0 HB2 PHE A 34 77.982 -1.211 -12.102 1.00 0.12 H new ATOM 0 HB3 PHE A 34 78.445 -1.678 -10.478 1.00 0.12 H new ATOM 0 HD1 PHE A 34 76.915 -2.859 -13.673 1.00 0.17 H new ATOM 0 HD2 PHE A 34 78.219 -4.010 -9.678 1.00 0.16 H new ATOM 0 HE1 PHE A 34 76.747 -5.284 -14.317 1.00 0.20 H new ATOM 0 HE2 PHE A 34 78.056 -6.435 -10.324 1.00 0.20 H new ATOM 0 HZ PHE A 34 77.319 -7.072 -12.643 1.00 0.21 H new ATOM 557 N VAL A 35 76.432 0.149 -8.799 1.00 0.09 N ATOM 558 CA VAL A 35 76.680 1.457 -8.126 1.00 0.09 C ATOM 559 C VAL A 35 77.716 1.268 -7.017 1.00 0.10 C ATOM 560 O VAL A 35 77.872 0.183 -6.490 1.00 0.10 O ATOM 561 CB VAL A 35 75.320 1.900 -7.569 1.00 0.11 C ATOM 562 CG1 VAL A 35 74.328 2.069 -8.726 1.00 0.12 C ATOM 563 CG2 VAL A 35 74.778 0.850 -6.594 1.00 0.15 C ATOM 0 H VAL A 35 76.244 -0.632 -8.171 1.00 0.09 H new ATOM 0 HA VAL A 35 77.078 2.213 -8.803 1.00 0.09 H new ATOM 0 HB VAL A 35 75.446 2.846 -7.042 1.00 0.11 H new ATOM 0 HG11 VAL A 35 73.361 2.384 -8.333 1.00 0.12 H new ATOM 0 HG12 VAL A 35 74.701 2.824 -9.418 1.00 0.12 H new ATOM 0 HG13 VAL A 35 74.215 1.120 -9.250 1.00 0.12 H new ATOM 0 HG21 VAL A 35 73.813 1.177 -6.207 1.00 0.15 H new ATOM 0 HG22 VAL A 35 74.657 -0.101 -7.113 1.00 0.15 H new ATOM 0 HG23 VAL A 35 75.478 0.726 -5.767 1.00 0.15 H new ATOM 573 N GLU A 36 78.424 2.311 -6.666 1.00 0.12 N ATOM 574 CA GLU A 36 79.458 2.199 -5.598 1.00 0.13 C ATOM 575 C GLU A 36 79.034 3.069 -4.432 1.00 0.13 C ATOM 576 O GLU A 36 78.612 4.191 -4.634 1.00 0.13 O ATOM 577 CB GLU A 36 80.751 2.721 -6.228 1.00 0.14 C ATOM 578 CG GLU A 36 81.915 2.524 -5.248 1.00 0.15 C ATOM 579 CD GLU A 36 83.215 3.127 -5.814 1.00 0.17 C ATOM 580 OE1 GLU A 36 83.181 3.696 -6.897 1.00 1.03 O ATOM 581 OE2 GLU A 36 84.229 3.008 -5.147 1.00 1.09 O ATOM 0 H GLU A 36 78.328 3.240 -7.077 1.00 0.12 H new ATOM 0 HA GLU A 36 79.590 1.182 -5.230 1.00 0.13 H new ATOM 0 HB2 GLU A 36 80.953 2.193 -7.160 1.00 0.14 H new ATOM 0 HB3 GLU A 36 80.646 3.777 -6.477 1.00 0.14 H new ATOM 0 HG2 GLU A 36 81.676 2.994 -4.294 1.00 0.15 H new ATOM 0 HG3 GLU A 36 82.057 1.461 -5.053 1.00 0.15 H new ATOM 588 N ILE A 37 78.921 2.489 -3.267 1.00 0.12 N ATOM 589 CA ILE A 37 78.255 3.206 -2.147 1.00 0.11 C ATOM 590 C ILE A 37 78.992 2.964 -0.825 1.00 0.11 C ATOM 591 O ILE A 37 79.694 1.982 -0.668 1.00 0.12 O ATOM 592 CB ILE A 37 76.836 2.619 -2.122 1.00 0.12 C ATOM 593 CG1 ILE A 37 76.007 3.310 -1.038 1.00 0.13 C ATOM 594 CG2 ILE A 37 76.890 1.113 -1.843 1.00 0.13 C ATOM 595 CD1 ILE A 37 74.512 3.165 -1.354 1.00 0.14 C ATOM 0 H ILE A 37 79.260 1.553 -3.045 1.00 0.12 H new ATOM 0 HA ILE A 37 78.250 4.288 -2.280 1.00 0.11 H new ATOM 0 HB ILE A 37 76.372 2.784 -3.094 1.00 0.12 H new ATOM 0 HG12 ILE A 37 76.226 2.871 -0.065 1.00 0.13 H new ATOM 0 HG13 ILE A 37 76.275 4.365 -0.980 1.00 0.13 H new ATOM 0 HG21 ILE A 37 75.878 0.709 -1.828 1.00 0.13 H new ATOM 0 HG22 ILE A 37 77.466 0.619 -2.625 1.00 0.13 H new ATOM 0 HG23 ILE A 37 77.365 0.939 -0.877 1.00 0.13 H new ATOM 0 HD11 ILE A 37 73.927 3.659 -0.579 1.00 0.14 H new ATOM 0 HD12 ILE A 37 74.298 3.625 -2.319 1.00 0.14 H new ATOM 0 HD13 ILE A 37 74.248 2.108 -1.389 1.00 0.14 H new ATOM 607 N LYS A 38 78.798 3.834 0.131 1.00 0.12 N ATOM 608 CA LYS A 38 79.439 3.653 1.467 1.00 0.13 C ATOM 609 C LYS A 38 78.416 3.879 2.581 1.00 0.13 C ATOM 610 O LYS A 38 77.545 4.717 2.467 1.00 0.14 O ATOM 611 CB LYS A 38 80.538 4.711 1.536 1.00 0.13 C ATOM 612 CG LYS A 38 81.435 4.411 2.735 1.00 0.18 C ATOM 613 CD LYS A 38 82.569 5.437 2.800 1.00 0.25 C ATOM 614 CE LYS A 38 83.534 5.065 3.929 1.00 1.03 C ATOM 615 NZ LYS A 38 83.900 6.361 4.565 1.00 1.11 N ATOM 0 H LYS A 38 78.218 4.669 0.043 1.00 0.12 H new ATOM 0 HA LYS A 38 79.836 2.646 1.594 1.00 0.13 H new ATOM 0 HB2 LYS A 38 81.123 4.708 0.617 1.00 0.13 H new ATOM 0 HB3 LYS A 38 80.100 5.705 1.631 1.00 0.13 H new ATOM 0 HG2 LYS A 38 80.851 4.441 3.655 1.00 0.18 H new ATOM 0 HG3 LYS A 38 81.846 3.405 2.651 1.00 0.18 H new ATOM 0 HD2 LYS A 38 83.101 5.467 1.849 1.00 0.25 H new ATOM 0 HD3 LYS A 38 82.162 6.434 2.970 1.00 0.25 H new ATOM 0 HE2 LYS A 38 83.063 4.393 4.646 1.00 1.03 H new ATOM 0 HE3 LYS A 38 84.415 4.552 3.543 1.00 1.03 H new ATOM 0 HZ1 LYS A 38 84.299 6.184 5.509 1.00 1.11 H new ATOM 0 HZ2 LYS A 38 84.606 6.849 3.977 1.00 1.11 H new ATOM 0 HZ3 LYS A 38 83.052 6.956 4.653 1.00 1.11 H new ATOM 629 N ILE A 39 78.543 3.161 3.670 1.00 0.14 N ATOM 630 CA ILE A 39 77.603 3.354 4.820 1.00 0.14 C ATOM 631 C ILE A 39 78.355 3.893 6.034 1.00 0.13 C ATOM 632 O ILE A 39 79.521 3.601 6.234 1.00 0.13 O ATOM 633 CB ILE A 39 77.025 1.968 5.143 1.00 0.16 C ATOM 634 CG1 ILE A 39 78.165 0.970 5.399 1.00 0.16 C ATOM 635 CG2 ILE A 39 76.161 1.484 3.981 1.00 0.17 C ATOM 636 CD1 ILE A 39 77.620 -0.258 6.128 1.00 0.20 C ATOM 0 H ILE A 39 79.258 2.448 3.813 1.00 0.14 H new ATOM 0 HA ILE A 39 76.819 4.069 4.569 1.00 0.14 H new ATOM 0 HB ILE A 39 76.410 2.040 6.040 1.00 0.16 H new ATOM 0 HG12 ILE A 39 78.620 0.672 4.454 1.00 0.16 H new ATOM 0 HG13 ILE A 39 78.947 1.441 5.994 1.00 0.16 H new ATOM 0 HG21 ILE A 39 75.754 0.501 4.215 1.00 0.17 H new ATOM 0 HG22 ILE A 39 75.343 2.186 3.818 1.00 0.17 H new ATOM 0 HG23 ILE A 39 76.768 1.419 3.078 1.00 0.17 H new ATOM 0 HD11 ILE A 39 78.431 -0.964 6.308 1.00 0.20 H new ATOM 0 HD12 ILE A 39 77.186 0.047 7.080 1.00 0.20 H new ATOM 0 HD13 ILE A 39 76.854 -0.734 5.516 1.00 0.20 H new ATOM 648 N VAL A 40 77.674 4.639 6.866 1.00 0.13 N ATOM 649 CA VAL A 40 78.309 5.168 8.108 1.00 0.12 C ATOM 650 C VAL A 40 77.322 5.069 9.274 1.00 0.16 C ATOM 651 O VAL A 40 76.258 5.660 9.251 1.00 0.20 O ATOM 652 CB VAL A 40 78.638 6.636 7.804 1.00 0.14 C ATOM 653 CG1 VAL A 40 79.326 7.273 9.016 1.00 0.15 C ATOM 654 CG2 VAL A 40 79.578 6.719 6.595 1.00 0.16 C ATOM 0 H VAL A 40 76.698 4.906 6.736 1.00 0.13 H new ATOM 0 HA VAL A 40 79.201 4.608 8.388 1.00 0.12 H new ATOM 0 HB VAL A 40 77.712 7.168 7.585 1.00 0.14 H new ATOM 0 HG11 VAL A 40 79.558 8.315 8.797 1.00 0.15 H new ATOM 0 HG12 VAL A 40 78.662 7.223 9.879 1.00 0.15 H new ATOM 0 HG13 VAL A 40 80.248 6.735 9.236 1.00 0.15 H new ATOM 0 HG21 VAL A 40 79.808 7.763 6.384 1.00 0.16 H new ATOM 0 HG22 VAL A 40 80.501 6.181 6.814 1.00 0.16 H new ATOM 0 HG23 VAL A 40 79.094 6.271 5.727 1.00 0.16 H new ATOM 664 N LYS A 41 77.717 4.405 10.328 1.00 0.17 N ATOM 665 CA LYS A 41 76.872 4.346 11.557 1.00 0.22 C ATOM 666 C LYS A 41 77.736 4.639 12.779 1.00 0.21 C ATOM 667 O LYS A 41 78.907 4.318 12.800 1.00 0.22 O ATOM 668 CB LYS A 41 76.340 2.919 11.624 1.00 0.28 C ATOM 669 CG LYS A 41 75.334 2.814 12.771 1.00 0.54 C ATOM 670 CD LYS A 41 74.926 1.354 12.968 1.00 1.11 C ATOM 671 CE LYS A 41 73.784 1.278 13.987 1.00 1.50 C ATOM 672 NZ LYS A 41 72.580 1.777 13.262 1.00 1.98 N ATOM 0 H LYS A 41 78.598 3.896 10.390 1.00 0.17 H new ATOM 0 HA LYS A 41 76.062 5.075 11.534 1.00 0.22 H new ATOM 0 HB2 LYS A 41 75.864 2.650 10.681 1.00 0.28 H new ATOM 0 HB3 LYS A 41 77.161 2.218 11.778 1.00 0.28 H new ATOM 0 HG2 LYS A 41 75.772 3.206 13.689 1.00 0.54 H new ATOM 0 HG3 LYS A 41 74.455 3.421 12.553 1.00 0.54 H new ATOM 0 HD2 LYS A 41 74.610 0.922 12.018 1.00 1.11 H new ATOM 0 HD3 LYS A 41 75.778 0.770 13.316 1.00 1.11 H new ATOM 0 HE2 LYS A 41 73.637 0.257 14.338 1.00 1.50 H new ATOM 0 HE3 LYS A 41 73.997 1.889 14.864 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 71.726 1.552 13.811 1.00 1.98 H new ATOM 0 HZ2 LYS A 41 72.651 2.807 13.139 1.00 1.98 H new ATOM 0 HZ3 LYS A 41 72.522 1.320 12.329 1.00 1.98 H new ATOM 686 N TYR A 42 77.176 5.265 13.781 1.00 0.20 N ATOM 687 CA TYR A 42 77.982 5.603 14.995 1.00 0.20 C ATOM 688 C TYR A 42 77.679 4.619 16.128 1.00 0.27 C ATOM 689 O TYR A 42 76.533 4.395 16.473 1.00 0.33 O ATOM 690 CB TYR A 42 77.558 7.020 15.379 1.00 0.22 C ATOM 691 CG TYR A 42 78.557 7.586 16.359 1.00 0.21 C ATOM 692 CD1 TYR A 42 79.830 8.053 15.890 1.00 0.23 C ATOM 693 CD2 TYR A 42 78.237 7.655 17.756 1.00 0.23 C ATOM 694 CE1 TYR A 42 80.785 8.587 16.817 1.00 0.28 C ATOM 695 CE2 TYR A 42 79.192 8.191 18.684 1.00 0.25 C ATOM 696 CZ TYR A 42 80.466 8.658 18.215 1.00 0.28 C ATOM 697 OH TYR A 42 81.385 9.172 19.107 1.00 0.33 O ATOM 0 H TYR A 42 76.199 5.557 13.813 1.00 0.20 H new ATOM 0 HA TYR A 42 79.054 5.541 14.805 1.00 0.20 H new ATOM 0 HB2 TYR A 42 77.504 7.650 14.491 1.00 0.22 H new ATOM 0 HB3 TYR A 42 76.562 7.007 15.822 1.00 0.22 H new ATOM 0 HD1 TYR A 42 80.069 8.002 14.838 1.00 0.23 H new ATOM 0 HD2 TYR A 42 77.279 7.304 18.109 1.00 0.23 H new ATOM 0 HE1 TYR A 42 81.744 8.936 16.464 1.00 0.28 H new ATOM 0 HE2 TYR A 42 78.952 8.243 19.736 1.00 0.25 H new ATOM 0 HH TYR A 42 82.292 8.969 18.796 1.00 0.33 H new ATOM 707 N GLU A 43 78.702 4.054 16.726 1.00 0.29 N ATOM 708 CA GLU A 43 78.487 3.106 17.861 1.00 0.37 C ATOM 709 C GLU A 43 79.465 3.417 18.997 1.00 0.35 C ATOM 710 O GLU A 43 80.640 3.644 18.772 1.00 0.30 O ATOM 711 CB GLU A 43 78.766 1.720 17.280 1.00 0.44 C ATOM 712 CG GLU A 43 77.767 1.424 16.155 1.00 0.63 C ATOM 713 CD GLU A 43 77.980 0.003 15.611 1.00 0.80 C ATOM 714 OE1 GLU A 43 79.060 -0.540 15.800 1.00 1.48 O ATOM 715 OE2 GLU A 43 77.058 -0.515 15.005 1.00 1.34 O ATOM 0 H GLU A 43 79.678 4.211 16.475 1.00 0.29 H new ATOM 0 HA GLU A 43 77.481 3.178 18.275 1.00 0.37 H new ATOM 0 HB2 GLU A 43 79.785 1.674 16.897 1.00 0.44 H new ATOM 0 HB3 GLU A 43 78.684 0.964 18.061 1.00 0.44 H new ATOM 0 HG2 GLU A 43 76.748 1.529 16.528 1.00 0.63 H new ATOM 0 HG3 GLU A 43 77.889 2.150 15.351 1.00 0.63 H new ATOM 722 N GLY A 44 78.980 3.452 20.214 1.00 0.41 N ATOM 723 CA GLY A 44 79.863 3.768 21.378 1.00 0.41 C ATOM 724 C GLY A 44 80.480 5.159 21.200 1.00 0.37 C ATOM 725 O GLY A 44 79.787 6.122 20.925 1.00 0.37 O ATOM 0 H GLY A 44 78.004 3.274 20.452 1.00 0.41 H new ATOM 0 HA2 GLY A 44 79.288 3.731 22.303 1.00 0.41 H new ATOM 0 HA3 GLY A 44 80.650 3.019 21.462 1.00 0.41 H new ATOM 729 N GLU A 45 81.782 5.258 21.317 1.00 0.37 N ATOM 730 CA GLU A 45 82.464 6.573 21.114 1.00 0.37 C ATOM 731 C GLU A 45 83.199 6.634 19.758 1.00 0.34 C ATOM 732 O GLU A 45 83.976 7.541 19.522 1.00 0.36 O ATOM 733 CB GLU A 45 83.451 6.710 22.290 1.00 0.44 C ATOM 734 CG GLU A 45 84.561 5.646 22.207 1.00 0.45 C ATOM 735 CD GLU A 45 85.539 5.819 23.375 1.00 0.54 C ATOM 736 OE1 GLU A 45 85.663 6.930 23.869 1.00 1.27 O ATOM 737 OE2 GLU A 45 86.148 4.834 23.758 1.00 1.17 O ATOM 0 H GLU A 45 82.403 4.482 21.545 1.00 0.37 H new ATOM 0 HA GLU A 45 81.744 7.391 21.092 1.00 0.37 H new ATOM 0 HB2 GLU A 45 83.895 7.705 22.282 1.00 0.44 H new ATOM 0 HB3 GLU A 45 82.914 6.608 23.233 1.00 0.44 H new ATOM 0 HG2 GLU A 45 84.123 4.648 22.233 1.00 0.45 H new ATOM 0 HG3 GLU A 45 85.093 5.736 21.260 1.00 0.45 H new ATOM 744 N GLU A 46 82.991 5.666 18.887 1.00 0.31 N ATOM 745 CA GLU A 46 83.717 5.670 17.577 1.00 0.30 C ATOM 746 C GLU A 46 82.739 5.440 16.402 1.00 0.25 C ATOM 747 O GLU A 46 81.922 4.541 16.463 1.00 0.25 O ATOM 748 CB GLU A 46 84.730 4.519 17.678 1.00 0.38 C ATOM 749 CG GLU A 46 84.005 3.176 17.886 1.00 0.41 C ATOM 750 CD GLU A 46 84.597 2.439 19.092 1.00 0.63 C ATOM 751 OE1 GLU A 46 85.808 2.458 19.238 1.00 1.19 O ATOM 752 OE2 GLU A 46 83.827 1.869 19.850 1.00 1.37 O ATOM 0 H GLU A 46 82.355 4.882 19.029 1.00 0.31 H new ATOM 0 HA GLU A 46 84.204 6.626 17.385 1.00 0.30 H new ATOM 0 HB2 GLU A 46 85.332 4.477 16.770 1.00 0.38 H new ATOM 0 HB3 GLU A 46 85.414 4.701 18.507 1.00 0.38 H new ATOM 0 HG2 GLU A 46 82.940 3.349 18.043 1.00 0.41 H new ATOM 0 HG3 GLU A 46 84.100 2.560 16.991 1.00 0.41 H new ATOM 759 N PRO A 47 82.918 6.176 15.315 1.00 0.25 N ATOM 760 CA PRO A 47 82.113 5.914 14.098 1.00 0.21 C ATOM 761 C PRO A 47 82.618 4.649 13.387 1.00 0.27 C ATOM 762 O PRO A 47 83.804 4.489 13.164 1.00 0.34 O ATOM 763 CB PRO A 47 82.325 7.153 13.216 1.00 0.24 C ATOM 764 CG PRO A 47 83.225 8.077 13.983 1.00 0.33 C ATOM 765 CD PRO A 47 83.844 7.297 15.111 1.00 0.31 C ATOM 0 HA PRO A 47 81.060 5.747 14.324 1.00 0.21 H new ATOM 0 HB2 PRO A 47 82.775 6.877 12.262 1.00 0.24 H new ATOM 0 HB3 PRO A 47 81.374 7.636 12.992 1.00 0.24 H new ATOM 0 HG2 PRO A 47 83.999 8.483 13.331 1.00 0.33 H new ATOM 0 HG3 PRO A 47 82.659 8.924 14.371 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.844 6.947 14.854 1.00 0.31 H new ATOM 0 HD3 PRO A 47 83.941 7.904 16.011 1.00 0.31 H new ATOM 773 N LYS A 48 81.714 3.831 12.908 1.00 0.26 N ATOM 774 CA LYS A 48 82.109 2.661 12.064 1.00 0.35 C ATOM 775 C LYS A 48 81.676 2.907 10.617 1.00 0.28 C ATOM 776 O LYS A 48 80.612 3.444 10.372 1.00 0.24 O ATOM 777 CB LYS A 48 81.357 1.464 12.650 1.00 0.45 C ATOM 778 CG LYS A 48 81.759 1.260 14.111 1.00 0.60 C ATOM 779 CD LYS A 48 83.204 0.770 14.171 1.00 0.47 C ATOM 780 CE LYS A 48 83.559 0.392 15.611 1.00 0.48 C ATOM 781 NZ LYS A 48 85.013 0.683 15.738 1.00 1.10 N ATOM 0 H LYS A 48 80.711 3.925 13.067 1.00 0.26 H new ATOM 0 HA LYS A 48 83.186 2.494 12.062 1.00 0.35 H new ATOM 0 HB2 LYS A 48 80.282 1.629 12.579 1.00 0.45 H new ATOM 0 HB3 LYS A 48 81.580 0.566 12.074 1.00 0.45 H new ATOM 0 HG2 LYS A 48 81.656 2.194 14.663 1.00 0.60 H new ATOM 0 HG3 LYS A 48 81.097 0.535 14.585 1.00 0.60 H new ATOM 0 HD2 LYS A 48 83.334 -0.091 13.516 1.00 0.47 H new ATOM 0 HD3 LYS A 48 83.878 1.548 13.812 1.00 0.47 H new ATOM 0 HE2 LYS A 48 82.976 0.972 16.326 1.00 0.48 H new ATOM 0 HE3 LYS A 48 83.348 -0.659 15.807 1.00 0.48 H new ATOM 0 HZ1 LYS A 48 85.306 0.562 16.729 1.00 1.10 H new ATOM 0 HZ2 LYS A 48 85.552 0.029 15.135 1.00 1.10 H new ATOM 0 HZ3 LYS A 48 85.199 1.662 15.439 1.00 1.10 H new ATOM 795 N GLU A 49 82.517 2.583 9.666 1.00 0.26 N ATOM 796 CA GLU A 49 82.188 2.869 8.235 1.00 0.20 C ATOM 797 C GLU A 49 82.524 1.670 7.347 1.00 0.19 C ATOM 798 O GLU A 49 83.287 0.801 7.724 1.00 0.21 O ATOM 799 CB GLU A 49 83.058 4.071 7.862 1.00 0.25 C ATOM 800 CG GLU A 49 82.681 5.271 8.739 1.00 0.80 C ATOM 801 CD GLU A 49 83.489 6.510 8.325 1.00 0.80 C ATOM 802 OE1 GLU A 49 84.530 6.349 7.704 1.00 1.42 O ATOM 803 OE2 GLU A 49 83.056 7.604 8.649 1.00 0.96 O ATOM 0 H GLU A 49 83.419 2.132 9.819 1.00 0.26 H new ATOM 0 HA GLU A 49 81.126 3.069 8.096 1.00 0.20 H new ATOM 0 HB2 GLU A 49 84.112 3.826 7.997 1.00 0.25 H new ATOM 0 HB3 GLU A 49 82.921 4.319 6.810 1.00 0.25 H new ATOM 0 HG2 GLU A 49 81.615 5.477 8.647 1.00 0.80 H new ATOM 0 HG3 GLU A 49 82.871 5.038 9.787 1.00 0.80 H new ATOM 810 N GLY A 50 81.986 1.647 6.152 1.00 0.16 N ATOM 811 CA GLY A 50 82.295 0.540 5.201 1.00 0.16 C ATOM 812 C GLY A 50 81.992 0.993 3.773 1.00 0.15 C ATOM 813 O GLY A 50 80.948 1.551 3.504 1.00 0.17 O ATOM 0 H GLY A 50 81.342 2.353 5.795 1.00 0.16 H new ATOM 0 HA2 GLY A 50 83.343 0.254 5.288 1.00 0.16 H new ATOM 0 HA3 GLY A 50 81.703 -0.341 5.447 1.00 0.16 H new ATOM 817 N THR A 51 82.874 0.700 2.845 1.00 0.14 N ATOM 818 CA THR A 51 82.613 1.051 1.415 1.00 0.14 C ATOM 819 C THR A 51 82.688 -0.207 0.550 1.00 0.13 C ATOM 820 O THR A 51 83.597 -1.007 0.696 1.00 0.15 O ATOM 821 CB THR A 51 83.730 2.019 1.019 1.00 0.16 C ATOM 822 OG1 THR A 51 83.948 2.953 2.065 1.00 0.18 O ATOM 823 CG2 THR A 51 83.332 2.765 -0.259 1.00 0.21 C ATOM 0 H THR A 51 83.764 0.232 3.019 1.00 0.14 H new ATOM 0 HA THR A 51 81.625 1.491 1.279 1.00 0.14 H new ATOM 0 HB THR A 51 84.647 1.457 0.841 1.00 0.16 H new ATOM 0 HG1 THR A 51 84.906 3.003 2.264 1.00 0.18 H new ATOM 0 HG21 THR A 51 84.128 3.454 -0.541 1.00 0.21 H new ATOM 0 HG22 THR A 51 83.171 2.048 -1.064 1.00 0.21 H new ATOM 0 HG23 THR A 51 82.413 3.324 -0.083 1.00 0.21 H new ATOM 831 N PHE A 52 81.785 -0.356 -0.390 1.00 0.12 N ATOM 832 CA PHE A 52 81.857 -1.529 -1.317 1.00 0.13 C ATOM 833 C PHE A 52 81.131 -1.229 -2.643 1.00 0.11 C ATOM 834 O PHE A 52 80.397 -0.263 -2.753 1.00 0.10 O ATOM 835 CB PHE A 52 81.210 -2.699 -0.535 1.00 0.14 C ATOM 836 CG PHE A 52 79.699 -2.565 -0.474 1.00 0.13 C ATOM 837 CD1 PHE A 52 79.087 -1.571 0.363 1.00 0.14 C ATOM 838 CD2 PHE A 52 78.880 -3.433 -1.271 1.00 0.13 C ATOM 839 CE1 PHE A 52 77.657 -1.450 0.400 1.00 0.16 C ATOM 840 CE2 PHE A 52 77.454 -3.311 -1.234 1.00 0.14 C ATOM 841 CZ PHE A 52 76.841 -2.320 -0.399 1.00 0.15 C ATOM 0 H PHE A 52 81.005 0.281 -0.555 1.00 0.12 H new ATOM 0 HA PHE A 52 82.880 -1.772 -1.605 1.00 0.13 H new ATOM 0 HB2 PHE A 52 81.473 -3.644 -1.010 1.00 0.14 H new ATOM 0 HB3 PHE A 52 81.614 -2.728 0.477 1.00 0.14 H new ATOM 0 HD1 PHE A 52 79.701 -0.916 0.963 1.00 0.14 H new ATOM 0 HD2 PHE A 52 79.341 -4.180 -1.900 1.00 0.13 H new ATOM 0 HE1 PHE A 52 77.195 -0.704 1.029 1.00 0.16 H new ATOM 0 HE2 PHE A 52 76.840 -3.965 -1.835 1.00 0.14 H new ATOM 0 HZ PHE A 52 75.765 -2.228 -0.371 1.00 0.15 H new ATOM 851 N THR A 53 81.239 -2.124 -3.594 1.00 0.12 N ATOM 852 CA THR A 53 80.454 -1.985 -4.858 1.00 0.11 C ATOM 853 C THR A 53 79.329 -3.023 -4.877 1.00 0.11 C ATOM 854 O THR A 53 79.489 -4.123 -4.379 1.00 0.12 O ATOM 855 CB THR A 53 81.454 -2.256 -5.984 1.00 0.11 C ATOM 856 OG1 THR A 53 82.549 -1.358 -5.868 1.00 0.13 O ATOM 857 CG2 THR A 53 80.768 -2.056 -7.338 1.00 0.11 C ATOM 0 H THR A 53 81.839 -2.947 -3.548 1.00 0.12 H new ATOM 0 HA THR A 53 79.994 -1.002 -4.959 1.00 0.11 H new ATOM 0 HB THR A 53 81.815 -3.282 -5.911 1.00 0.11 H new ATOM 0 HG1 THR A 53 83.192 -1.531 -6.587 1.00 0.13 H new ATOM 0 HG21 THR A 53 81.481 -2.249 -8.139 1.00 0.11 H new ATOM 0 HG22 THR A 53 79.928 -2.745 -7.426 1.00 0.11 H new ATOM 0 HG23 THR A 53 80.406 -1.031 -7.414 1.00 0.11 H new ATOM 865 N ALA A 54 78.173 -2.649 -5.367 1.00 0.11 N ATOM 866 CA ALA A 54 77.003 -3.577 -5.325 1.00 0.13 C ATOM 867 C ALA A 54 76.183 -3.472 -6.610 1.00 0.13 C ATOM 868 O ALA A 54 76.005 -2.398 -7.153 1.00 0.11 O ATOM 869 CB ALA A 54 76.175 -3.116 -4.121 1.00 0.14 C ATOM 0 H ALA A 54 77.990 -1.741 -5.794 1.00 0.11 H new ATOM 0 HA ALA A 54 77.312 -4.619 -5.237 1.00 0.13 H new ATOM 0 HB1 ALA A 54 75.294 -3.750 -4.021 1.00 0.14 H new ATOM 0 HB2 ALA A 54 76.778 -3.188 -3.216 1.00 0.14 H new ATOM 0 HB3 ALA A 54 75.863 -2.082 -4.268 1.00 0.14 H new ATOM 875 N ARG A 55 75.609 -4.568 -7.042 1.00 0.15 N ATOM 876 CA ARG A 55 74.704 -4.532 -8.228 1.00 0.15 C ATOM 877 C ARG A 55 73.260 -4.347 -7.765 1.00 0.15 C ATOM 878 O ARG A 55 72.861 -4.860 -6.734 1.00 0.16 O ATOM 879 CB ARG A 55 74.872 -5.888 -8.911 1.00 0.19 C ATOM 880 CG ARG A 55 74.242 -5.836 -10.304 1.00 0.27 C ATOM 881 CD ARG A 55 74.223 -7.242 -10.910 1.00 0.45 C ATOM 882 NE ARG A 55 73.873 -7.044 -12.353 1.00 0.90 N ATOM 883 CZ ARG A 55 73.383 -8.027 -13.090 1.00 1.48 C ATOM 884 NH1 ARG A 55 73.174 -9.230 -12.600 1.00 1.67 N ATOM 885 NH2 ARG A 55 73.098 -7.795 -14.342 1.00 2.21 N ATOM 0 H ARG A 55 75.730 -5.489 -6.621 1.00 0.15 H new ATOM 0 HA ARG A 55 74.942 -3.711 -8.904 1.00 0.15 H new ATOM 0 HB2 ARG A 55 75.930 -6.141 -8.987 1.00 0.19 H new ATOM 0 HB3 ARG A 55 74.400 -6.669 -8.315 1.00 0.19 H new ATOM 0 HG2 ARG A 55 73.228 -5.442 -10.241 1.00 0.27 H new ATOM 0 HG3 ARG A 55 74.807 -5.160 -10.945 1.00 0.27 H new ATOM 0 HD2 ARG A 55 75.192 -7.730 -10.803 1.00 0.45 H new ATOM 0 HD3 ARG A 55 73.490 -7.876 -10.411 1.00 0.45 H new ATOM 0 HE ARG A 55 74.016 -6.128 -12.778 1.00 0.90 H new ATOM 0 HH11 ARG A 55 73.391 -9.428 -11.623 1.00 1.67 H new ATOM 0 HH12 ARG A 55 72.795 -9.965 -13.197 1.00 1.67 H new ATOM 0 HH21 ARG A 55 73.254 -6.868 -14.737 1.00 2.21 H new ATOM 0 HH22 ARG A 55 72.719 -8.541 -14.926 1.00 2.21 H new ATOM 899 N VAL A 56 72.476 -3.632 -8.527 1.00 0.14 N ATOM 900 CA VAL A 56 71.046 -3.416 -8.151 1.00 0.14 C ATOM 901 C VAL A 56 70.222 -4.649 -8.521 1.00 0.15 C ATOM 902 O VAL A 56 70.197 -5.072 -9.663 1.00 0.17 O ATOM 903 CB VAL A 56 70.604 -2.187 -8.953 1.00 0.14 C ATOM 904 CG1 VAL A 56 69.112 -1.894 -8.712 1.00 0.14 C ATOM 905 CG2 VAL A 56 71.437 -0.981 -8.510 1.00 0.17 C ATOM 0 H VAL A 56 72.765 -3.186 -9.398 1.00 0.14 H new ATOM 0 HA VAL A 56 70.910 -3.259 -7.081 1.00 0.14 H new ATOM 0 HB VAL A 56 70.754 -2.380 -10.015 1.00 0.14 H new ATOM 0 HG11 VAL A 56 68.815 -1.018 -9.289 1.00 0.14 H new ATOM 0 HG12 VAL A 56 68.518 -2.753 -9.024 1.00 0.14 H new ATOM 0 HG13 VAL A 56 68.945 -1.703 -7.652 1.00 0.14 H new ATOM 0 HG21 VAL A 56 71.131 -0.100 -9.074 1.00 0.17 H new ATOM 0 HG22 VAL A 56 71.281 -0.802 -7.446 1.00 0.17 H new ATOM 0 HG23 VAL A 56 72.493 -1.181 -8.694 1.00 0.17 H new ATOM 915 N GLY A 57 69.515 -5.186 -7.566 1.00 0.16 N ATOM 916 CA GLY A 57 68.637 -6.358 -7.836 1.00 0.19 C ATOM 917 C GLY A 57 67.182 -5.899 -7.941 1.00 0.18 C ATOM 918 O GLY A 57 66.887 -4.714 -7.961 1.00 0.16 O ATOM 0 H GLY A 57 69.508 -4.859 -6.600 1.00 0.16 H new ATOM 0 HA2 GLY A 57 68.942 -6.847 -8.761 1.00 0.19 H new ATOM 0 HA3 GLY A 57 68.740 -7.093 -7.038 1.00 0.19 H new ATOM 922 N GLU A 58 66.269 -6.834 -7.983 1.00 0.21 N ATOM 923 CA GLU A 58 64.820 -6.471 -8.067 1.00 0.22 C ATOM 924 C GLU A 58 64.408 -5.673 -6.826 1.00 0.22 C ATOM 925 O GLU A 58 65.041 -5.742 -5.791 1.00 0.24 O ATOM 926 CB GLU A 58 64.067 -7.804 -8.123 1.00 0.27 C ATOM 927 CG GLU A 58 62.631 -7.560 -8.597 1.00 0.81 C ATOM 928 CD GLU A 58 62.628 -7.182 -10.083 1.00 0.80 C ATOM 929 OE1 GLU A 58 63.521 -7.616 -10.793 1.00 1.28 O ATOM 930 OE2 GLU A 58 61.725 -6.468 -10.487 1.00 1.39 O ATOM 0 H GLU A 58 66.463 -7.835 -7.963 1.00 0.21 H new ATOM 0 HA GLU A 58 64.602 -5.851 -8.936 1.00 0.22 H new ATOM 0 HB2 GLU A 58 64.573 -8.492 -8.801 1.00 0.27 H new ATOM 0 HB3 GLU A 58 64.062 -8.273 -7.139 1.00 0.27 H new ATOM 0 HG2 GLU A 58 62.030 -8.456 -8.440 1.00 0.81 H new ATOM 0 HG3 GLU A 58 62.175 -6.763 -8.009 1.00 0.81 H new ATOM 937 N GLN A 59 63.371 -4.882 -6.944 1.00 0.25 N ATOM 938 CA GLN A 59 62.904 -4.030 -5.801 1.00 0.30 C ATOM 939 C GLN A 59 64.029 -3.136 -5.251 1.00 0.23 C ATOM 940 O GLN A 59 63.878 -2.555 -4.190 1.00 0.23 O ATOM 941 CB GLN A 59 62.425 -5.005 -4.717 1.00 0.37 C ATOM 942 CG GLN A 59 61.289 -5.876 -5.263 1.00 0.46 C ATOM 943 CD GLN A 59 60.082 -5.000 -5.602 1.00 0.56 C ATOM 944 OE1 GLN A 59 59.655 -4.195 -4.799 1.00 0.82 O ATOM 945 NE2 GLN A 59 59.507 -5.123 -6.768 1.00 0.81 N ATOM 0 H GLN A 59 62.818 -4.788 -7.796 1.00 0.25 H new ATOM 0 HA GLN A 59 62.113 -3.356 -6.128 1.00 0.30 H new ATOM 0 HB2 GLN A 59 63.253 -5.635 -4.391 1.00 0.37 H new ATOM 0 HB3 GLN A 59 62.082 -4.451 -3.843 1.00 0.37 H new ATOM 0 HG2 GLN A 59 61.623 -6.410 -6.152 1.00 0.46 H new ATOM 0 HG3 GLN A 59 61.008 -6.628 -4.526 1.00 0.46 H new ATOM 0 HE21 GLN A 59 59.864 -5.798 -7.444 1.00 0.81 H new ATOM 0 HE22 GLN A 59 58.701 -4.544 -7.003 1.00 0.81 H new ATOM 954 N GLY A 60 65.080 -2.899 -6.013 1.00 0.19 N ATOM 955 CA GLY A 60 66.106 -1.898 -5.576 1.00 0.16 C ATOM 956 C GLY A 60 66.953 -2.453 -4.426 1.00 0.12 C ATOM 957 O GLY A 60 67.504 -1.695 -3.643 1.00 0.12 O ATOM 0 H GLY A 60 65.266 -3.352 -6.908 1.00 0.19 H new ATOM 0 HA2 GLY A 60 66.750 -1.640 -6.417 1.00 0.16 H new ATOM 0 HA3 GLY A 60 65.612 -0.979 -5.259 1.00 0.16 H new ATOM 961 N SER A 61 66.991 -3.755 -4.261 1.00 0.14 N ATOM 962 CA SER A 61 67.731 -4.344 -3.100 1.00 0.16 C ATOM 963 C SER A 61 69.238 -4.341 -3.374 1.00 0.15 C ATOM 964 O SER A 61 69.676 -4.620 -4.474 1.00 0.18 O ATOM 965 CB SER A 61 67.213 -5.778 -2.974 1.00 0.21 C ATOM 966 OG SER A 61 65.793 -5.761 -2.915 1.00 1.30 O ATOM 0 H SER A 61 66.543 -4.432 -4.878 1.00 0.14 H new ATOM 0 HA SER A 61 67.572 -3.775 -2.184 1.00 0.16 H new ATOM 0 HB2 SER A 61 67.546 -6.373 -3.824 1.00 0.21 H new ATOM 0 HB3 SER A 61 67.620 -6.247 -2.078 1.00 0.21 H new ATOM 0 HG SER A 61 65.428 -5.752 -3.824 1.00 1.30 H new ATOM 972 N VAL A 62 70.028 -4.115 -2.355 1.00 0.14 N ATOM 973 CA VAL A 62 71.514 -4.194 -2.505 1.00 0.15 C ATOM 974 C VAL A 62 72.118 -4.907 -1.285 1.00 0.14 C ATOM 975 O VAL A 62 71.568 -4.850 -0.201 1.00 0.14 O ATOM 976 CB VAL A 62 71.987 -2.736 -2.597 1.00 0.17 C ATOM 977 CG1 VAL A 62 71.596 -1.971 -1.330 1.00 0.17 C ATOM 978 CG2 VAL A 62 73.508 -2.703 -2.757 1.00 0.21 C ATOM 0 H VAL A 62 69.705 -3.877 -1.417 1.00 0.14 H new ATOM 0 HA VAL A 62 71.822 -4.761 -3.384 1.00 0.15 H new ATOM 0 HB VAL A 62 71.513 -2.265 -3.458 1.00 0.17 H new ATOM 0 HG11 VAL A 62 71.937 -0.939 -1.408 1.00 0.17 H new ATOM 0 HG12 VAL A 62 70.512 -1.987 -1.215 1.00 0.17 H new ATOM 0 HG13 VAL A 62 72.060 -2.442 -0.463 1.00 0.17 H new ATOM 0 HG21 VAL A 62 73.845 -1.668 -2.822 1.00 0.21 H new ATOM 0 HG22 VAL A 62 73.975 -3.183 -1.897 1.00 0.21 H new ATOM 0 HG23 VAL A 62 73.790 -3.234 -3.666 1.00 0.21 H new ATOM 988 N ILE A 63 73.178 -5.658 -1.479 1.00 0.16 N ATOM 989 CA ILE A 63 73.743 -6.473 -0.353 1.00 0.17 C ATOM 990 C ILE A 63 75.108 -5.926 0.080 1.00 0.16 C ATOM 991 O ILE A 63 76.061 -5.951 -0.677 1.00 0.19 O ATOM 992 CB ILE A 63 73.896 -7.896 -0.916 1.00 0.23 C ATOM 993 CG1 ILE A 63 72.549 -8.415 -1.459 1.00 0.26 C ATOM 994 CG2 ILE A 63 74.397 -8.832 0.188 1.00 0.26 C ATOM 995 CD1 ILE A 63 71.489 -8.423 -0.350 1.00 0.34 C ATOM 0 H ILE A 63 73.675 -5.742 -2.366 1.00 0.16 H new ATOM 0 HA ILE A 63 73.097 -6.446 0.525 1.00 0.17 H new ATOM 0 HB ILE A 63 74.615 -7.871 -1.735 1.00 0.23 H new ATOM 0 HG12 ILE A 63 72.216 -7.785 -2.284 1.00 0.26 H new ATOM 0 HG13 ILE A 63 72.675 -9.422 -1.857 1.00 0.26 H new ATOM 0 HG21 ILE A 63 74.505 -9.840 -0.211 1.00 0.26 H new ATOM 0 HG22 ILE A 63 75.362 -8.481 0.553 1.00 0.26 H new ATOM 0 HG23 ILE A 63 73.681 -8.842 1.009 1.00 0.26 H new ATOM 0 HD11 ILE A 63 70.545 -8.792 -0.751 1.00 0.34 H new ATOM 0 HD12 ILE A 63 71.817 -9.072 0.462 1.00 0.34 H new ATOM 0 HD13 ILE A 63 71.351 -7.410 0.029 1.00 0.34 H new ATOM 1007 N ILE A 64 75.241 -5.583 1.340 1.00 0.15 N ATOM 1008 CA ILE A 64 76.584 -5.208 1.890 1.00 0.16 C ATOM 1009 C ILE A 64 77.400 -6.486 2.166 1.00 0.18 C ATOM 1010 O ILE A 64 76.841 -7.482 2.571 1.00 0.20 O ATOM 1011 CB ILE A 64 76.288 -4.457 3.194 1.00 0.19 C ATOM 1012 CG1 ILE A 64 75.454 -3.209 2.887 1.00 0.17 C ATOM 1013 CG2 ILE A 64 77.601 -4.032 3.858 1.00 0.34 C ATOM 1014 CD1 ILE A 64 74.854 -2.664 4.185 1.00 0.32 C ATOM 0 H ILE A 64 74.475 -5.547 2.013 1.00 0.15 H new ATOM 0 HA ILE A 64 77.166 -4.595 1.201 1.00 0.16 H new ATOM 0 HB ILE A 64 75.736 -5.114 3.867 1.00 0.19 H new ATOM 0 HG12 ILE A 64 76.077 -2.449 2.415 1.00 0.17 H new ATOM 0 HG13 ILE A 64 74.660 -3.454 2.181 1.00 0.17 H new ATOM 0 HG21 ILE A 64 77.385 -3.499 4.784 1.00 0.34 H new ATOM 0 HG22 ILE A 64 78.199 -4.916 4.079 1.00 0.34 H new ATOM 0 HG23 ILE A 64 78.155 -3.378 3.184 1.00 0.34 H new ATOM 0 HD11 ILE A 64 74.261 -1.776 3.967 1.00 0.32 H new ATOM 0 HD12 ILE A 64 74.217 -3.424 4.639 1.00 0.32 H new ATOM 0 HD13 ILE A 64 75.656 -2.404 4.875 1.00 0.32 H new ATOM 1026 N PRO A 65 78.699 -6.434 1.941 1.00 0.19 N ATOM 1027 CA PRO A 65 79.554 -7.637 2.175 1.00 0.23 C ATOM 1028 C PRO A 65 79.576 -8.007 3.663 1.00 0.26 C ATOM 1029 O PRO A 65 79.706 -7.158 4.524 1.00 0.23 O ATOM 1030 CB PRO A 65 80.931 -7.178 1.700 1.00 0.26 C ATOM 1031 CG PRO A 65 80.888 -5.702 1.886 1.00 0.24 C ATOM 1032 CD PRO A 65 79.507 -5.294 1.470 1.00 0.21 C ATOM 0 HA PRO A 65 79.200 -8.528 1.657 1.00 0.23 H new ATOM 0 HB2 PRO A 65 81.730 -7.633 2.285 1.00 0.26 H new ATOM 0 HB3 PRO A 65 81.106 -7.446 0.658 1.00 0.26 H new ATOM 0 HG2 PRO A 65 81.083 -5.430 2.923 1.00 0.24 H new ATOM 0 HG3 PRO A 65 81.645 -5.206 1.278 1.00 0.24 H new ATOM 0 HD2 PRO A 65 79.201 -4.357 1.934 1.00 0.21 H new ATOM 0 HD3 PRO A 65 79.429 -5.156 0.392 1.00 0.21 H new ATOM 1040 N LYS A 66 79.463 -9.278 3.966 1.00 0.41 N ATOM 1041 CA LYS A 66 79.485 -9.733 5.399 1.00 0.51 C ATOM 1042 C LYS A 66 80.749 -9.237 6.107 1.00 0.44 C ATOM 1043 O LYS A 66 80.736 -8.947 7.290 1.00 0.42 O ATOM 1044 CB LYS A 66 79.476 -11.264 5.340 1.00 0.69 C ATOM 1045 CG LYS A 66 79.362 -11.828 6.757 1.00 0.96 C ATOM 1046 CD LYS A 66 79.416 -13.357 6.705 1.00 1.31 C ATOM 1047 CE LYS A 66 79.136 -13.926 8.098 1.00 1.89 C ATOM 1048 NZ LYS A 66 80.471 -14.015 8.753 1.00 2.62 N ATOM 0 H LYS A 66 79.356 -10.026 3.281 1.00 0.41 H new ATOM 0 HA LYS A 66 78.636 -9.340 5.957 1.00 0.51 H new ATOM 0 HB2 LYS A 66 78.641 -11.610 4.731 1.00 0.69 H new ATOM 0 HB3 LYS A 66 80.388 -11.626 4.865 1.00 0.69 H new ATOM 0 HG2 LYS A 66 80.172 -11.446 7.378 1.00 0.96 H new ATOM 0 HG3 LYS A 66 78.428 -11.502 7.215 1.00 0.96 H new ATOM 0 HD2 LYS A 66 78.682 -13.733 5.993 1.00 1.31 H new ATOM 0 HD3 LYS A 66 80.395 -13.685 6.357 1.00 1.31 H new ATOM 0 HE2 LYS A 66 78.463 -13.279 8.661 1.00 1.89 H new ATOM 0 HE3 LYS A 66 78.660 -14.905 8.036 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 80.361 -14.397 9.714 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 81.088 -14.642 8.199 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 80.897 -13.067 8.804 1.00 2.62 H new ATOM 1062 N ALA A 67 81.843 -9.159 5.391 1.00 0.43 N ATOM 1063 CA ALA A 67 83.131 -8.709 6.015 1.00 0.40 C ATOM 1064 C ALA A 67 82.974 -7.304 6.602 1.00 0.30 C ATOM 1065 O ALA A 67 83.489 -7.004 7.668 1.00 0.28 O ATOM 1066 CB ALA A 67 84.153 -8.700 4.876 1.00 0.45 C ATOM 0 H ALA A 67 81.902 -9.388 4.399 1.00 0.43 H new ATOM 0 HA ALA A 67 83.439 -9.364 6.830 1.00 0.40 H new ATOM 0 HB1 ALA A 67 85.122 -8.380 5.259 1.00 0.45 H new ATOM 0 HB2 ALA A 67 84.241 -9.703 4.458 1.00 0.45 H new ATOM 0 HB3 ALA A 67 83.825 -8.011 4.098 1.00 0.45 H new ATOM 1072 N LEU A 68 82.243 -6.453 5.926 1.00 0.27 N ATOM 1073 CA LEU A 68 82.028 -5.068 6.445 1.00 0.23 C ATOM 1074 C LEU A 68 80.993 -5.072 7.570 1.00 0.22 C ATOM 1075 O LEU A 68 81.099 -4.305 8.508 1.00 0.22 O ATOM 1076 CB LEU A 68 81.534 -4.243 5.250 1.00 0.28 C ATOM 1077 CG LEU A 68 82.667 -4.053 4.229 1.00 0.99 C ATOM 1078 CD1 LEU A 68 82.154 -3.231 3.046 1.00 1.24 C ATOM 1079 CD2 LEU A 68 83.841 -3.307 4.878 1.00 1.82 C ATOM 0 H LEU A 68 81.786 -6.658 5.037 1.00 0.27 H new ATOM 0 HA LEU A 68 82.943 -4.649 6.863 1.00 0.23 H new ATOM 0 HB2 LEU A 68 80.689 -4.744 4.777 1.00 0.28 H new ATOM 0 HB3 LEU A 68 81.177 -3.272 5.592 1.00 0.28 H new ATOM 0 HG LEU A 68 83.002 -5.033 3.888 1.00 0.99 H new ATOM 0 HD11 LEU A 68 82.957 -3.096 2.321 1.00 1.24 H new ATOM 0 HD12 LEU A 68 81.323 -3.754 2.573 1.00 1.24 H new ATOM 0 HD13 LEU A 68 81.816 -2.257 3.399 1.00 1.24 H new ATOM 0 HD21 LEU A 68 84.639 -3.177 4.147 1.00 1.82 H new ATOM 0 HD22 LEU A 68 83.504 -2.330 5.225 1.00 1.82 H new ATOM 0 HD23 LEU A 68 84.215 -3.883 5.724 1.00 1.82 H new ATOM 1091 N ARG A 69 80.016 -5.954 7.514 1.00 0.25 N ATOM 1092 CA ARG A 69 79.001 -6.022 8.620 1.00 0.28 C ATOM 1093 C ARG A 69 79.703 -6.293 9.954 1.00 0.25 C ATOM 1094 O ARG A 69 79.362 -5.724 10.975 1.00 0.26 O ATOM 1095 CB ARG A 69 78.100 -7.225 8.312 1.00 0.35 C ATOM 1096 CG ARG A 69 77.448 -7.117 6.931 1.00 0.46 C ATOM 1097 CD ARG A 69 76.396 -8.228 6.817 1.00 0.56 C ATOM 1098 NE ARG A 69 76.331 -8.590 5.364 1.00 0.98 N ATOM 1099 CZ ARG A 69 75.918 -9.785 4.964 1.00 1.92 C ATOM 1100 NH1 ARG A 69 75.504 -10.702 5.813 1.00 2.53 N ATOM 1101 NH2 ARG A 69 75.906 -10.056 3.690 1.00 2.30 N ATOM 0 H ARG A 69 79.879 -6.624 6.757 1.00 0.25 H new ATOM 0 HA ARG A 69 78.443 -5.088 8.687 1.00 0.28 H new ATOM 0 HB2 ARG A 69 78.689 -8.141 8.364 1.00 0.35 H new ATOM 0 HB3 ARG A 69 77.324 -7.301 9.074 1.00 0.35 H new ATOM 0 HG2 ARG A 69 76.985 -6.139 6.803 1.00 0.46 H new ATOM 0 HG3 ARG A 69 78.198 -7.220 6.146 1.00 0.46 H new ATOM 0 HD2 ARG A 69 76.674 -9.091 7.422 1.00 0.56 H new ATOM 0 HD3 ARG A 69 75.426 -7.885 7.177 1.00 0.56 H new ATOM 0 HE ARG A 69 76.611 -7.901 4.666 1.00 0.98 H new ATOM 0 HH11 ARG A 69 75.494 -10.503 6.813 1.00 2.53 H new ATOM 0 HH12 ARG A 69 75.193 -11.611 5.470 1.00 2.53 H new ATOM 0 HH21 ARG A 69 76.211 -9.354 3.016 1.00 2.30 H new ATOM 0 HH22 ARG A 69 75.591 -10.971 3.366 1.00 2.30 H new ATOM 1115 N ASP A 70 80.617 -7.232 9.953 1.00 0.25 N ATOM 1116 CA ASP A 70 81.282 -7.645 11.228 1.00 0.25 C ATOM 1117 C ASP A 70 82.205 -6.537 11.732 1.00 0.22 C ATOM 1118 O ASP A 70 82.192 -6.199 12.900 1.00 0.22 O ATOM 1119 CB ASP A 70 82.093 -8.899 10.878 1.00 0.27 C ATOM 1120 CG ASP A 70 81.151 -10.026 10.442 1.00 0.91 C ATOM 1121 OD1 ASP A 70 80.022 -10.048 10.907 1.00 1.56 O ATOM 1122 OD2 ASP A 70 81.578 -10.852 9.654 1.00 1.68 O ATOM 0 H ASP A 70 80.932 -7.732 9.122 1.00 0.25 H new ATOM 0 HA ASP A 70 80.557 -7.839 12.018 1.00 0.25 H new ATOM 0 HB2 ASP A 70 82.799 -8.674 10.079 1.00 0.27 H new ATOM 0 HB3 ASP A 70 82.679 -9.216 11.741 1.00 0.27 H new ATOM 1127 N VAL A 71 83.010 -5.978 10.861 1.00 0.21 N ATOM 1128 CA VAL A 71 83.966 -4.906 11.297 1.00 0.21 C ATOM 1129 C VAL A 71 83.190 -3.716 11.873 1.00 0.21 C ATOM 1130 O VAL A 71 83.629 -3.074 12.811 1.00 0.22 O ATOM 1131 CB VAL A 71 84.722 -4.506 10.017 1.00 0.23 C ATOM 1132 CG1 VAL A 71 85.671 -3.338 10.301 1.00 0.21 C ATOM 1133 CG2 VAL A 71 85.530 -5.704 9.513 1.00 0.28 C ATOM 0 H VAL A 71 83.048 -6.215 9.870 1.00 0.21 H new ATOM 0 HA VAL A 71 84.648 -5.243 12.078 1.00 0.21 H new ATOM 0 HB VAL A 71 84.000 -4.198 9.261 1.00 0.23 H new ATOM 0 HG11 VAL A 71 86.198 -3.067 9.386 1.00 0.21 H new ATOM 0 HG12 VAL A 71 85.098 -2.482 10.657 1.00 0.21 H new ATOM 0 HG13 VAL A 71 86.393 -3.633 11.062 1.00 0.21 H new ATOM 0 HG21 VAL A 71 86.067 -5.425 8.606 1.00 0.28 H new ATOM 0 HG22 VAL A 71 86.244 -6.009 10.278 1.00 0.28 H new ATOM 0 HG23 VAL A 71 84.855 -6.532 9.295 1.00 0.28 H new ATOM 1143 N ILE A 72 82.075 -3.393 11.282 1.00 0.21 N ATOM 1144 CA ILE A 72 81.286 -2.207 11.738 1.00 0.22 C ATOM 1145 C ILE A 72 80.401 -2.568 12.947 1.00 0.22 C ATOM 1146 O ILE A 72 79.998 -1.697 13.697 1.00 0.23 O ATOM 1147 CB ILE A 72 80.429 -1.807 10.525 1.00 0.24 C ATOM 1148 CG1 ILE A 72 81.347 -1.472 9.342 1.00 0.25 C ATOM 1149 CG2 ILE A 72 79.586 -0.572 10.865 1.00 0.27 C ATOM 1150 CD1 ILE A 72 80.504 -1.219 8.091 1.00 0.28 C ATOM 0 H ILE A 72 81.670 -3.901 10.496 1.00 0.21 H new ATOM 0 HA ILE A 72 81.929 -1.390 12.067 1.00 0.22 H new ATOM 0 HB ILE A 72 79.771 -2.636 10.265 1.00 0.24 H new ATOM 0 HG12 ILE A 72 81.947 -0.591 9.572 1.00 0.25 H new ATOM 0 HG13 ILE A 72 82.042 -2.293 9.164 1.00 0.25 H new ATOM 0 HG21 ILE A 72 78.982 -0.295 10.001 1.00 0.27 H new ATOM 0 HG22 ILE A 72 78.932 -0.798 11.707 1.00 0.27 H new ATOM 0 HG23 ILE A 72 80.244 0.256 11.129 1.00 0.27 H new ATOM 0 HD11 ILE A 72 81.159 -0.981 7.253 1.00 0.28 H new ATOM 0 HD12 ILE A 72 79.924 -2.112 7.857 1.00 0.28 H new ATOM 0 HD13 ILE A 72 79.827 -0.384 8.271 1.00 0.28 H new ATOM 1162 N GLY A 73 80.164 -3.843 13.193 1.00 0.21 N ATOM 1163 CA GLY A 73 79.384 -4.242 14.407 1.00 0.21 C ATOM 1164 C GLY A 73 77.892 -3.982 14.173 1.00 0.20 C ATOM 1165 O GLY A 73 77.195 -3.514 15.055 1.00 0.22 O ATOM 0 H GLY A 73 80.477 -4.616 12.606 1.00 0.21 H new ATOM 0 HA2 GLY A 73 79.549 -5.297 14.626 1.00 0.21 H new ATOM 0 HA3 GLY A 73 79.729 -3.679 15.274 1.00 0.21 H new ATOM 1169 N ILE A 74 77.431 -4.171 12.960 1.00 0.20 N ATOM 1170 CA ILE A 74 76.015 -3.810 12.622 1.00 0.21 C ATOM 1171 C ILE A 74 75.091 -5.022 12.791 1.00 0.21 C ATOM 1172 O ILE A 74 75.450 -6.139 12.470 1.00 0.23 O ATOM 1173 CB ILE A 74 76.047 -3.360 11.154 1.00 0.24 C ATOM 1174 CG1 ILE A 74 77.048 -2.202 10.965 1.00 0.27 C ATOM 1175 CG2 ILE A 74 74.649 -2.896 10.732 1.00 0.27 C ATOM 1176 CD1 ILE A 74 76.671 -1.009 11.855 1.00 0.77 C ATOM 0 H ILE A 74 77.973 -4.560 12.188 1.00 0.20 H new ATOM 0 HA ILE A 74 75.632 -3.029 13.278 1.00 0.21 H new ATOM 0 HB ILE A 74 76.361 -4.202 10.537 1.00 0.24 H new ATOM 0 HG12 ILE A 74 78.055 -2.541 11.210 1.00 0.27 H new ATOM 0 HG13 ILE A 74 77.061 -1.893 9.920 1.00 0.27 H new ATOM 0 HG21 ILE A 74 74.671 -2.576 9.690 1.00 0.27 H new ATOM 0 HG22 ILE A 74 73.943 -3.719 10.844 1.00 0.27 H new ATOM 0 HG23 ILE A 74 74.337 -2.062 11.361 1.00 0.27 H new ATOM 0 HD11 ILE A 74 77.390 -0.203 11.707 1.00 0.77 H new ATOM 0 HD12 ILE A 74 75.673 -0.659 11.591 1.00 0.77 H new ATOM 0 HD13 ILE A 74 76.682 -1.317 12.900 1.00 0.77 H new ATOM 1188 N LYS A 75 73.893 -4.795 13.276 1.00 0.22 N ATOM 1189 CA LYS A 75 72.915 -5.914 13.454 1.00 0.24 C ATOM 1190 C LYS A 75 71.543 -5.527 12.858 1.00 0.24 C ATOM 1191 O LYS A 75 71.291 -4.364 12.610 1.00 0.23 O ATOM 1192 CB LYS A 75 72.827 -6.126 14.974 1.00 0.29 C ATOM 1193 CG LYS A 75 72.291 -4.860 15.666 1.00 1.19 C ATOM 1194 CD LYS A 75 73.190 -4.484 16.850 1.00 1.71 C ATOM 1195 CE LYS A 75 73.138 -5.593 17.906 1.00 2.52 C ATOM 1196 NZ LYS A 75 71.877 -5.348 18.660 1.00 3.21 N ATOM 0 H LYS A 75 73.550 -3.877 13.558 1.00 0.22 H new ATOM 0 HA LYS A 75 73.224 -6.825 12.941 1.00 0.24 H new ATOM 0 HB2 LYS A 75 72.173 -6.971 15.192 1.00 0.29 H new ATOM 0 HB3 LYS A 75 73.812 -6.374 15.370 1.00 0.29 H new ATOM 0 HG2 LYS A 75 72.252 -4.036 14.954 1.00 1.19 H new ATOM 0 HG3 LYS A 75 71.272 -5.030 16.013 1.00 1.19 H new ATOM 0 HD2 LYS A 75 74.215 -4.339 16.510 1.00 1.71 H new ATOM 0 HD3 LYS A 75 72.862 -3.539 17.283 1.00 1.71 H new ATOM 0 HE2 LYS A 75 73.135 -6.580 17.443 1.00 2.52 H new ATOM 0 HE3 LYS A 75 74.006 -5.552 18.564 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 71.933 -5.811 19.590 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 71.744 -4.325 18.790 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 71.073 -5.737 18.127 1.00 3.21 H new ATOM 1210 N PRO A 76 70.695 -6.514 12.610 1.00 0.25 N ATOM 1211 CA PRO A 76 69.370 -6.226 11.997 1.00 0.26 C ATOM 1212 C PRO A 76 68.574 -5.214 12.836 1.00 0.24 C ATOM 1213 O PRO A 76 68.507 -5.316 14.046 1.00 0.23 O ATOM 1214 CB PRO A 76 68.659 -7.584 11.967 1.00 0.29 C ATOM 1215 CG PRO A 76 69.469 -8.492 12.839 1.00 0.50 C ATOM 1216 CD PRO A 76 70.872 -7.953 12.861 1.00 0.28 C ATOM 0 HA PRO A 76 69.466 -5.782 11.006 1.00 0.26 H new ATOM 0 HB2 PRO A 76 67.637 -7.498 12.336 1.00 0.29 H new ATOM 0 HB3 PRO A 76 68.599 -7.971 10.950 1.00 0.29 H new ATOM 0 HG2 PRO A 76 69.055 -8.528 13.847 1.00 0.50 H new ATOM 0 HG3 PRO A 76 69.454 -9.511 12.452 1.00 0.50 H new ATOM 0 HD2 PRO A 76 71.357 -8.136 13.820 1.00 0.28 H new ATOM 0 HD3 PRO A 76 71.493 -8.420 12.096 1.00 0.28 H new ATOM 1224 N GLY A 77 67.925 -4.278 12.184 1.00 0.24 N ATOM 1225 CA GLY A 77 67.070 -3.292 12.914 1.00 0.24 C ATOM 1226 C GLY A 77 67.859 -2.013 13.254 1.00 0.22 C ATOM 1227 O GLY A 77 67.304 -1.079 13.805 1.00 0.24 O ATOM 0 H GLY A 77 67.952 -4.155 11.172 1.00 0.24 H new ATOM 0 HA2 GLY A 77 66.204 -3.036 12.304 1.00 0.24 H new ATOM 0 HA3 GLY A 77 66.692 -3.744 13.831 1.00 0.24 H new ATOM 1231 N GLU A 78 69.137 -1.953 12.934 1.00 0.20 N ATOM 1232 CA GLU A 78 69.938 -0.724 13.244 1.00 0.20 C ATOM 1233 C GLU A 78 70.016 0.189 12.022 1.00 0.18 C ATOM 1234 O GLU A 78 70.210 -0.272 10.911 1.00 0.18 O ATOM 1235 CB GLU A 78 71.325 -1.226 13.644 1.00 0.20 C ATOM 1236 CG GLU A 78 71.378 -1.392 15.167 1.00 0.22 C ATOM 1237 CD GLU A 78 72.813 -1.698 15.617 1.00 0.23 C ATOM 1238 OE1 GLU A 78 73.570 -2.227 14.817 1.00 1.07 O ATOM 1239 OE2 GLU A 78 73.129 -1.397 16.755 1.00 1.11 O ATOM 0 H GLU A 78 69.655 -2.701 12.473 1.00 0.20 H new ATOM 0 HA GLU A 78 69.484 -0.135 14.041 1.00 0.20 H new ATOM 0 HB2 GLU A 78 71.536 -2.177 13.154 1.00 0.20 H new ATOM 0 HB3 GLU A 78 72.089 -0.521 13.316 1.00 0.20 H new ATOM 0 HG2 GLU A 78 71.023 -0.483 15.652 1.00 0.22 H new ATOM 0 HG3 GLU A 78 70.713 -2.198 15.476 1.00 0.22 H new ATOM 1246 N VAL A 79 69.753 1.459 12.209 1.00 0.19 N ATOM 1247 CA VAL A 79 69.665 2.392 11.046 1.00 0.18 C ATOM 1248 C VAL A 79 71.018 3.058 10.764 1.00 0.18 C ATOM 1249 O VAL A 79 71.664 3.589 11.646 1.00 0.19 O ATOM 1250 CB VAL A 79 68.611 3.434 11.456 1.00 0.20 C ATOM 1251 CG1 VAL A 79 69.073 4.203 12.708 1.00 0.24 C ATOM 1252 CG2 VAL A 79 68.383 4.412 10.297 1.00 0.21 C ATOM 0 H VAL A 79 69.595 1.890 13.120 1.00 0.19 H new ATOM 0 HA VAL A 79 69.393 1.873 10.127 1.00 0.18 H new ATOM 0 HB VAL A 79 67.678 2.922 11.690 1.00 0.20 H new ATOM 0 HG11 VAL A 79 68.316 4.936 12.985 1.00 0.24 H new ATOM 0 HG12 VAL A 79 69.219 3.504 13.531 1.00 0.24 H new ATOM 0 HG13 VAL A 79 70.012 4.714 12.495 1.00 0.24 H new ATOM 0 HG21 VAL A 79 67.636 5.151 10.586 1.00 0.21 H new ATOM 0 HG22 VAL A 79 69.319 4.917 10.057 1.00 0.21 H new ATOM 0 HG23 VAL A 79 68.032 3.864 9.423 1.00 0.21 H new ATOM 1262 N ILE A 80 71.405 3.077 9.517 1.00 0.17 N ATOM 1263 CA ILE A 80 72.667 3.755 9.107 1.00 0.17 C ATOM 1264 C ILE A 80 72.362 4.788 8.015 1.00 0.17 C ATOM 1265 O ILE A 80 71.388 4.664 7.293 1.00 0.17 O ATOM 1266 CB ILE A 80 73.577 2.635 8.573 1.00 0.17 C ATOM 1267 CG1 ILE A 80 72.909 1.944 7.379 1.00 0.17 C ATOM 1268 CG2 ILE A 80 73.831 1.611 9.682 1.00 0.18 C ATOM 1269 CD1 ILE A 80 73.872 0.926 6.764 1.00 0.18 C ATOM 0 H ILE A 80 70.889 2.643 8.752 1.00 0.17 H new ATOM 0 HA ILE A 80 73.143 4.289 9.929 1.00 0.17 H new ATOM 0 HB ILE A 80 74.525 3.066 8.251 1.00 0.17 H new ATOM 0 HG12 ILE A 80 71.995 1.445 7.701 1.00 0.17 H new ATOM 0 HG13 ILE A 80 72.622 2.684 6.632 1.00 0.17 H new ATOM 0 HG21 ILE A 80 74.476 0.818 9.304 1.00 0.18 H new ATOM 0 HG22 ILE A 80 74.316 2.101 10.526 1.00 0.18 H new ATOM 0 HG23 ILE A 80 72.882 1.184 10.007 1.00 0.18 H new ATOM 0 HD11 ILE A 80 73.392 0.438 5.916 1.00 0.18 H new ATOM 0 HD12 ILE A 80 74.774 1.436 6.426 1.00 0.18 H new ATOM 0 HD13 ILE A 80 74.137 0.178 7.511 1.00 0.18 H new ATOM 1281 N GLU A 81 73.237 5.738 7.833 1.00 0.18 N ATOM 1282 CA GLU A 81 73.073 6.719 6.723 1.00 0.18 C ATOM 1283 C GLU A 81 73.953 6.295 5.550 1.00 0.17 C ATOM 1284 O GLU A 81 75.058 5.821 5.741 1.00 0.19 O ATOM 1285 CB GLU A 81 73.545 8.053 7.303 1.00 0.20 C ATOM 1286 CG GLU A 81 73.286 9.173 6.295 1.00 0.21 C ATOM 1287 CD GLU A 81 73.827 10.492 6.850 1.00 0.23 C ATOM 1288 OE1 GLU A 81 74.856 10.458 7.504 1.00 1.14 O ATOM 1289 OE2 GLU A 81 73.200 11.512 6.617 1.00 1.04 O ATOM 0 H GLU A 81 74.066 5.878 8.411 1.00 0.18 H new ATOM 0 HA GLU A 81 72.048 6.785 6.357 1.00 0.18 H new ATOM 0 HB2 GLU A 81 73.020 8.261 8.235 1.00 0.20 H new ATOM 0 HB3 GLU A 81 74.608 8.002 7.540 1.00 0.20 H new ATOM 0 HG2 GLU A 81 73.768 8.941 5.345 1.00 0.21 H new ATOM 0 HG3 GLU A 81 72.217 9.260 6.098 1.00 0.21 H new ATOM 1296 N VAL A 82 73.394 6.283 4.368 1.00 0.16 N ATOM 1297 CA VAL A 82 74.104 5.682 3.202 1.00 0.17 C ATOM 1298 C VAL A 82 74.406 6.754 2.152 1.00 0.16 C ATOM 1299 O VAL A 82 73.543 7.519 1.763 1.00 0.17 O ATOM 1300 CB VAL A 82 73.130 4.630 2.655 1.00 0.18 C ATOM 1301 CG1 VAL A 82 73.730 3.953 1.423 1.00 0.20 C ATOM 1302 CG2 VAL A 82 72.870 3.569 3.728 1.00 0.19 C ATOM 0 H VAL A 82 72.472 6.666 4.160 1.00 0.16 H new ATOM 0 HA VAL A 82 75.063 5.243 3.476 1.00 0.17 H new ATOM 0 HB VAL A 82 72.196 5.121 2.381 1.00 0.18 H new ATOM 0 HG11 VAL A 82 73.032 3.208 1.041 1.00 0.20 H new ATOM 0 HG12 VAL A 82 73.919 4.701 0.653 1.00 0.20 H new ATOM 0 HG13 VAL A 82 74.667 3.467 1.695 1.00 0.20 H new ATOM 0 HG21 VAL A 82 72.178 2.821 3.340 1.00 0.19 H new ATOM 0 HG22 VAL A 82 73.810 3.088 3.999 1.00 0.19 H new ATOM 0 HG23 VAL A 82 72.437 4.042 4.610 1.00 0.19 H new ATOM 1312 N LEU A 83 75.625 6.790 1.686 1.00 0.16 N ATOM 1313 CA LEU A 83 76.020 7.786 0.643 1.00 0.17 C ATOM 1314 C LEU A 83 76.458 7.045 -0.623 1.00 0.15 C ATOM 1315 O LEU A 83 77.378 6.252 -0.575 1.00 0.12 O ATOM 1316 CB LEU A 83 77.236 8.546 1.214 1.00 0.21 C ATOM 1317 CG LEU A 83 76.981 9.030 2.649 1.00 0.20 C ATOM 1318 CD1 LEU A 83 78.223 9.758 3.162 1.00 0.25 C ATOM 1319 CD2 LEU A 83 75.781 9.975 2.667 1.00 0.20 C ATOM 0 H LEU A 83 76.374 6.166 1.986 1.00 0.16 H new ATOM 0 HA LEU A 83 75.196 8.456 0.398 1.00 0.17 H new ATOM 0 HB2 LEU A 83 78.111 7.896 1.199 1.00 0.21 H new ATOM 0 HB3 LEU A 83 77.463 9.401 0.577 1.00 0.21 H new ATOM 0 HG LEU A 83 76.769 8.176 3.292 1.00 0.20 H new ATOM 0 HD11 LEU A 83 78.047 10.104 4.181 1.00 0.25 H new ATOM 0 HD12 LEU A 83 79.074 9.077 3.152 1.00 0.25 H new ATOM 0 HD13 LEU A 83 78.435 10.613 2.520 1.00 0.25 H new ATOM 0 HD21 LEU A 83 75.602 10.317 3.686 1.00 0.20 H new ATOM 0 HD22 LEU A 83 75.984 10.833 2.027 1.00 0.20 H new ATOM 0 HD23 LEU A 83 74.899 9.450 2.301 1.00 0.20 H new ATOM 1331 N LEU A 84 75.928 7.408 -1.766 1.00 0.16 N ATOM 1332 CA LEU A 84 76.460 6.843 -3.047 1.00 0.15 C ATOM 1333 C LEU A 84 77.736 7.586 -3.451 1.00 0.15 C ATOM 1334 O LEU A 84 77.880 8.763 -3.181 1.00 0.17 O ATOM 1335 CB LEU A 84 75.355 7.053 -4.078 1.00 0.18 C ATOM 1336 CG LEU A 84 74.374 5.879 -4.007 1.00 0.21 C ATOM 1337 CD1 LEU A 84 72.967 6.333 -4.433 1.00 0.20 C ATOM 1338 CD2 LEU A 84 74.870 4.767 -4.938 1.00 0.28 C ATOM 0 H LEU A 84 75.156 8.066 -1.868 1.00 0.16 H new ATOM 0 HA LEU A 84 76.719 5.788 -2.958 1.00 0.15 H new ATOM 0 HB2 LEU A 84 74.834 7.991 -3.885 1.00 0.18 H new ATOM 0 HB3 LEU A 84 75.783 7.126 -5.078 1.00 0.18 H new ATOM 0 HG LEU A 84 74.319 5.509 -2.983 1.00 0.21 H new ATOM 0 HD11 LEU A 84 72.280 5.489 -4.378 1.00 0.20 H new ATOM 0 HD12 LEU A 84 72.623 7.125 -3.767 1.00 0.20 H new ATOM 0 HD13 LEU A 84 73.000 6.708 -5.456 1.00 0.20 H new ATOM 0 HD21 LEU A 84 74.180 3.924 -4.897 1.00 0.28 H new ATOM 0 HD22 LEU A 84 74.922 5.144 -5.959 1.00 0.28 H new ATOM 0 HD23 LEU A 84 75.860 4.441 -4.620 1.00 0.28 H new ATOM 1350 N LEU A 85 78.700 6.880 -3.991 1.00 0.14 N ATOM 1351 CA LEU A 85 80.019 7.512 -4.296 1.00 0.17 C ATOM 1352 C LEU A 85 80.315 7.474 -5.799 1.00 0.18 C ATOM 1353 O LEU A 85 81.089 8.272 -6.296 1.00 0.24 O ATOM 1354 CB LEU A 85 81.041 6.680 -3.523 1.00 0.22 C ATOM 1355 CG LEU A 85 81.147 7.207 -2.091 1.00 0.89 C ATOM 1356 CD1 LEU A 85 81.882 6.184 -1.223 1.00 1.13 C ATOM 1357 CD2 LEU A 85 81.922 8.527 -2.091 1.00 1.60 C ATOM 0 H LEU A 85 78.629 5.892 -4.234 1.00 0.14 H new ATOM 0 HA LEU A 85 80.041 8.563 -4.009 1.00 0.17 H new ATOM 0 HB2 LEU A 85 80.742 5.632 -3.515 1.00 0.22 H new ATOM 0 HB3 LEU A 85 82.013 6.730 -4.014 1.00 0.22 H new ATOM 0 HG LEU A 85 80.147 7.371 -1.689 1.00 0.89 H new ATOM 0 HD11 LEU A 85 81.957 6.560 -0.203 1.00 1.13 H new ATOM 0 HD12 LEU A 85 81.331 5.244 -1.224 1.00 1.13 H new ATOM 0 HD13 LEU A 85 82.882 6.019 -1.624 1.00 1.13 H new ATOM 0 HD21 LEU A 85 81.998 8.904 -1.071 1.00 1.60 H new ATOM 0 HD22 LEU A 85 82.922 8.362 -2.493 1.00 1.60 H new ATOM 0 HD23 LEU A 85 81.398 9.256 -2.709 1.00 1.60 H new ATOM 1369 N GLY A 86 79.764 6.515 -6.510 1.00 0.16 N ATOM 1370 CA GLY A 86 80.090 6.392 -7.973 1.00 0.20 C ATOM 1371 C GLY A 86 79.120 5.435 -8.672 1.00 0.17 C ATOM 1372 O GLY A 86 78.212 4.906 -8.064 1.00 0.15 O ATOM 0 H GLY A 86 79.111 5.820 -6.148 1.00 0.16 H new ATOM 0 HA2 GLY A 86 80.041 7.374 -8.444 1.00 0.20 H new ATOM 0 HA3 GLY A 86 81.112 6.032 -8.093 1.00 0.20 H new ATOM 1376 N HIS A 87 79.293 5.241 -9.962 1.00 0.20 N ATOM 1377 CA HIS A 87 78.365 4.353 -10.735 1.00 0.19 C ATOM 1378 C HIS A 87 79.123 3.625 -11.858 1.00 0.19 C ATOM 1379 O HIS A 87 80.048 4.162 -12.436 1.00 0.24 O ATOM 1380 CB HIS A 87 77.303 5.300 -11.325 1.00 0.28 C ATOM 1381 CG HIS A 87 77.953 6.335 -12.210 1.00 0.76 C ATOM 1382 ND1 HIS A 87 77.767 6.356 -13.583 1.00 1.31 N ATOM 1383 CD2 HIS A 87 78.789 7.389 -11.931 1.00 1.72 C ATOM 1384 CE1 HIS A 87 78.474 7.390 -14.074 1.00 1.57 C ATOM 1385 NE2 HIS A 87 79.116 8.053 -13.108 1.00 1.89 N ATOM 0 H HIS A 87 80.041 5.662 -10.513 1.00 0.20 H new ATOM 0 HA HIS A 87 77.921 3.581 -10.107 1.00 0.19 H new ATOM 0 HB2 HIS A 87 76.575 4.727 -11.899 1.00 0.28 H new ATOM 0 HB3 HIS A 87 76.758 5.792 -10.519 1.00 0.28 H new ATOM 0 HD2 HIS A 87 79.139 7.661 -10.946 1.00 1.72 H new ATOM 0 HE1 HIS A 87 78.517 7.652 -15.121 1.00 1.57 H new ATOM 0 HE2 HIS A 87 79.717 8.871 -13.212 1.00 1.89 H new ATOM 1393 N TYR A 88 78.675 2.444 -12.227 1.00 0.16 N ATOM 1394 CA TYR A 88 79.297 1.723 -13.378 1.00 0.19 C ATOM 1395 C TYR A 88 78.209 1.130 -14.279 1.00 0.21 C ATOM 1396 O TYR A 88 77.226 0.588 -13.803 1.00 0.17 O ATOM 1397 CB TYR A 88 80.138 0.613 -12.747 1.00 0.21 C ATOM 1398 CG TYR A 88 81.276 1.227 -11.967 1.00 0.32 C ATOM 1399 CD1 TYR A 88 82.493 1.584 -12.638 1.00 0.66 C ATOM 1400 CD2 TYR A 88 81.141 1.453 -10.557 1.00 0.59 C ATOM 1401 CE1 TYR A 88 83.575 2.168 -11.900 1.00 0.77 C ATOM 1402 CE2 TYR A 88 82.224 2.036 -9.818 1.00 0.70 C ATOM 1403 CZ TYR A 88 83.441 2.393 -10.489 1.00 0.65 C ATOM 1404 OH TYR A 88 84.482 2.955 -9.777 1.00 0.80 O ATOM 0 H TYR A 88 77.904 1.951 -11.777 1.00 0.16 H new ATOM 0 HA TYR A 88 79.901 2.383 -14.001 1.00 0.19 H new ATOM 0 HB2 TYR A 88 79.519 0.002 -12.089 1.00 0.21 H new ATOM 0 HB3 TYR A 88 80.528 -0.048 -13.521 1.00 0.21 H new ATOM 0 HD1 TYR A 88 82.594 1.413 -13.700 1.00 0.66 H new ATOM 0 HD2 TYR A 88 80.225 1.185 -10.052 1.00 0.59 H new ATOM 0 HE1 TYR A 88 84.490 2.438 -12.406 1.00 0.77 H new ATOM 0 HE2 TYR A 88 82.123 2.206 -8.756 1.00 0.70 H new ATOM 0 HH TYR A 88 84.168 3.211 -8.885 1.00 0.80 H new ATOM 1414 N LYS A 89 78.390 1.214 -15.574 1.00 0.29 N ATOM 1415 CA LYS A 89 77.384 0.641 -16.519 1.00 0.33 C ATOM 1416 C LYS A 89 78.060 -0.366 -17.468 1.00 0.52 C ATOM 1417 O LYS A 89 79.253 -0.291 -17.683 1.00 0.94 O ATOM 1418 CB LYS A 89 76.849 1.840 -17.302 1.00 0.48 C ATOM 1419 CG LYS A 89 76.108 2.781 -16.350 1.00 1.38 C ATOM 1420 CD LYS A 89 75.942 4.150 -17.011 1.00 1.82 C ATOM 1421 CE LYS A 89 74.671 4.822 -16.485 1.00 2.32 C ATOM 1422 NZ LYS A 89 74.710 6.204 -17.037 1.00 2.99 N ATOM 0 H LYS A 89 79.195 1.657 -16.018 1.00 0.29 H new ATOM 0 HA LYS A 89 76.589 0.105 -16.001 1.00 0.33 H new ATOM 0 HB2 LYS A 89 77.671 2.368 -17.786 1.00 0.48 H new ATOM 0 HB3 LYS A 89 76.178 1.502 -18.092 1.00 0.48 H new ATOM 0 HG2 LYS A 89 75.132 2.366 -16.099 1.00 1.38 H new ATOM 0 HG3 LYS A 89 76.662 2.881 -15.417 1.00 1.38 H new ATOM 0 HD2 LYS A 89 76.810 4.775 -16.800 1.00 1.82 H new ATOM 0 HD3 LYS A 89 75.885 4.038 -18.094 1.00 1.82 H new ATOM 0 HE2 LYS A 89 73.778 4.290 -16.814 1.00 2.32 H new ATOM 0 HE3 LYS A 89 74.652 4.833 -15.395 1.00 2.32 H new ATOM 0 HZ1 LYS A 89 73.870 6.728 -16.720 1.00 2.99 H new ATOM 0 HZ2 LYS A 89 75.567 6.688 -16.701 1.00 2.99 H new ATOM 0 HZ3 LYS A 89 74.720 6.163 -18.076 1.00 2.99 H new ATOM 1436 N PRO A 90 77.278 -1.274 -18.029 1.00 0.71 N ATOM 1437 CA PRO A 90 77.839 -2.281 -18.984 1.00 0.93 C ATOM 1438 C PRO A 90 78.560 -1.588 -20.147 1.00 0.85 C ATOM 1439 O PRO A 90 78.149 -0.535 -20.601 1.00 1.30 O ATOM 1440 CB PRO A 90 76.592 -3.011 -19.481 1.00 1.39 C ATOM 1441 CG PRO A 90 75.629 -2.870 -18.353 1.00 1.68 C ATOM 1442 CD PRO A 90 75.824 -1.473 -17.846 1.00 1.19 C ATOM 0 HA PRO A 90 78.576 -2.942 -18.528 1.00 0.93 H new ATOM 0 HB2 PRO A 90 76.205 -2.564 -20.397 1.00 1.39 H new ATOM 0 HB3 PRO A 90 76.801 -4.058 -19.701 1.00 1.39 H new ATOM 0 HG2 PRO A 90 74.604 -3.029 -18.688 1.00 1.68 H new ATOM 0 HG3 PRO A 90 75.826 -3.604 -17.572 1.00 1.68 H new ATOM 0 HD2 PRO A 90 75.239 -0.749 -18.413 1.00 1.19 H new ATOM 0 HD3 PRO A 90 75.528 -1.374 -16.802 1.00 1.19 H new ATOM 1450 N ARG A 91 79.628 -2.176 -20.629 1.00 1.61 N ATOM 1451 CA ARG A 91 80.383 -1.567 -21.765 1.00 1.99 C ATOM 1452 C ARG A 91 80.559 -2.589 -22.892 1.00 2.65 C ATOM 1453 O ARG A 91 80.814 -3.753 -22.651 1.00 3.38 O ATOM 1454 CB ARG A 91 81.738 -1.177 -21.177 1.00 3.06 C ATOM 1455 CG ARG A 91 82.544 -0.401 -22.221 1.00 3.64 C ATOM 1456 CD ARG A 91 83.921 -0.055 -21.651 1.00 4.74 C ATOM 1457 NE ARG A 91 84.565 0.804 -22.693 1.00 5.48 N ATOM 1458 CZ ARG A 91 85.028 0.298 -23.824 1.00 6.33 C ATOM 1459 NH1 ARG A 91 84.951 -0.987 -24.095 1.00 6.87 N ATOM 1460 NH2 ARG A 91 85.579 1.098 -24.697 1.00 6.83 N ATOM 0 H ARG A 91 80.010 -3.056 -20.282 1.00 1.61 H new ATOM 0 HA ARG A 91 79.864 -0.710 -22.193 1.00 1.99 H new ATOM 0 HB2 ARG A 91 81.597 -0.567 -20.284 1.00 3.06 H new ATOM 0 HB3 ARG A 91 82.284 -2.069 -20.871 1.00 3.06 H new ATOM 0 HG2 ARG A 91 82.653 -0.997 -23.127 1.00 3.64 H new ATOM 0 HG3 ARG A 91 82.015 0.510 -22.500 1.00 3.64 H new ATOM 0 HD2 ARG A 91 83.834 0.474 -20.702 1.00 4.74 H new ATOM 0 HD3 ARG A 91 84.508 -0.954 -21.462 1.00 4.74 H new ATOM 0 HE ARG A 91 84.649 1.807 -22.527 1.00 5.48 H new ATOM 0 HH11 ARG A 91 84.524 -1.625 -23.423 1.00 6.87 H new ATOM 0 HH12 ARG A 91 85.318 -1.345 -24.977 1.00 6.87 H new ATOM 0 HH21 ARG A 91 85.647 2.097 -24.502 1.00 6.83 H new ATOM 0 HH22 ARG A 91 85.941 0.724 -25.574 1.00 6.83 H new ATOM 1474 N ASN A 92 80.422 -2.158 -24.126 1.00 3.10 N ATOM 1475 CA ASN A 92 80.577 -3.091 -25.297 1.00 4.24 C ATOM 1476 C ASN A 92 79.674 -4.322 -25.141 1.00 4.85 C ATOM 1477 O ASN A 92 79.768 -5.210 -25.973 1.00 5.20 O ATOM 1478 CB ASN A 92 82.052 -3.503 -25.302 1.00 4.82 C ATOM 1479 CG ASN A 92 82.335 -4.371 -26.529 1.00 5.68 C ATOM 1480 OD1 ASN A 92 82.490 -5.571 -26.417 1.00 5.95 O ATOM 1481 ND2 ASN A 92 82.410 -3.811 -27.706 1.00 6.47 N ATOM 1482 OXT ASN A 92 78.906 -4.354 -24.193 1.00 5.35 O ATOM 0 H ASN A 92 80.208 -1.193 -24.376 1.00 3.10 H new ATOM 0 HA ASN A 92 80.287 -2.610 -26.231 1.00 4.24 H new ATOM 0 HB2 ASN A 92 82.688 -2.618 -25.315 1.00 4.82 H new ATOM 0 HB3 ASN A 92 82.290 -4.053 -24.392 1.00 4.82 H new ATOM 0 HD21 ASN A 92 82.599 -4.381 -28.531 1.00 6.47 H new ATOM 0 HD22 ASN A 92 82.280 -2.804 -27.801 1.00 6.47 H new TER 1489 ASN A 92