USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 732 hydrogens (21 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 39 HIS : no HE2:sc= -3.1 X(o=-4.7,f=-4.6!) USER MOD Set 1.2: A 88 PNS S44 : rot 160:sc= -1.65 USER MOD Set 2.1: A 63 LYS NZ :NH3+ 157:sc= -1.82! (180deg=-4.12!) USER MOD Set 2.2: A 64 ASN : amide:sc= -1.74! K(o=-3.6!,f=-4.6) USER MOD Set 3.1: A 23 THR OG1 : rot -47:sc= 1.14 USER MOD Set 3.2: A 26 THR OG1 : rot -160:sc= 1.33 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= -0.194 (180deg=-1.37) USER MOD Single : A 3 THR OG1 : rot -150:sc= 0.0051 USER MOD Single : A 8 THR OG1 : rot 55:sc= 1.23 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.312 USER MOD Single : A 29 ASN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 38 SER OG : rot -179:sc= 0.26 USER MOD Single : A 40 MET CE :methyl -178:sc= 0 (180deg=-0.00922) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 45 SER OG : rot 73:sc= 1.31 USER MOD Single : A 49 HIS : no HD1:sc= -0.319 X(o=-0.32,f=0) USER MOD Single : A 50 TYR OH : rot -79:sc= -0.0539 USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= 1.1 (180deg=0.819) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.307 K(o=-0.31,f=-3.9!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= 1.7 (180deg=1.55) USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= -0.114 (180deg=-0.377) USER MOD Single : A 82 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=-0.028) USER MOD Single : A 83 HIS : no HE2:sc= 0.284 K(o=0.28,f=-1.4) USER MOD Single : A 84 HIS : no HD1:sc= -0.0126 X(o=-0.013,f=-0.013) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 86 HIS : no HE2:sc= 0.439 K(o=0.44,f=-2!) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 PNS O33 : rot -41:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.497 0.926 3.596 1.00 0.00 N ATOM 2 CA MET A 1 -11.597 1.919 3.545 1.00 0.00 C ATOM 3 C MET A 1 -11.218 3.256 4.245 1.00 0.00 C ATOM 4 O MET A 1 -11.198 4.283 3.564 1.00 0.00 O ATOM 5 CB MET A 1 -12.930 1.339 4.104 1.00 0.00 C ATOM 6 CG MET A 1 -13.514 0.188 3.269 1.00 0.00 C ATOM 7 SD MET A 1 -13.845 0.686 1.561 1.00 0.00 S ATOM 8 CE MET A 1 -14.609 -0.786 0.882 1.00 0.00 C ATOM 0 H1 MET A 1 -10.317 0.558 2.640 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.635 1.381 3.960 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.766 0.142 4.224 1.00 0.00 H new ATOM 0 HA MET A 1 -11.759 2.147 2.492 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.762 0.986 5.121 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.666 2.141 4.162 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.819 -0.651 3.273 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.438 -0.161 3.730 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.862 -0.615 -0.164 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.915 -1.623 0.955 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.515 -1.017 1.442 1.00 0.00 H new ATOM 20 N PRO A 2 -10.855 3.293 5.591 1.00 0.00 N ATOM 21 CA PRO A 2 -10.731 4.573 6.349 1.00 0.00 C ATOM 22 C PRO A 2 -9.371 5.291 6.151 1.00 0.00 C ATOM 23 O PRO A 2 -8.933 6.065 7.013 1.00 0.00 O ATOM 24 CB PRO A 2 -10.922 4.090 7.804 1.00 0.00 C ATOM 25 CG PRO A 2 -10.248 2.752 7.833 1.00 0.00 C ATOM 26 CD PRO A 2 -10.506 2.132 6.469 1.00 0.00 C ATOM 0 HA PRO A 2 -11.446 5.328 6.022 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.470 4.780 8.516 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -11.978 4.011 8.063 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -9.179 2.856 8.020 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -10.652 2.127 8.630 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -9.626 1.605 6.100 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.318 1.407 6.510 1.00 0.00 H new ATOM 34 N THR A 3 -8.737 5.068 4.993 1.00 0.00 N ATOM 35 CA THR A 3 -7.412 5.612 4.693 1.00 0.00 C ATOM 36 C THR A 3 -7.477 7.087 4.283 1.00 0.00 C ATOM 37 O THR A 3 -6.873 7.901 4.958 1.00 0.00 O ATOM 38 CB THR A 3 -6.713 4.780 3.585 1.00 0.00 C ATOM 39 OG1 THR A 3 -7.601 4.634 2.462 1.00 0.00 O ATOM 40 CG2 THR A 3 -6.301 3.404 4.109 1.00 0.00 C ATOM 0 H THR A 3 -9.131 4.505 4.239 1.00 0.00 H new ATOM 0 HA THR A 3 -6.825 5.547 5.609 1.00 0.00 H new ATOM 0 HB THR A 3 -5.811 5.306 3.273 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.414 3.787 2.005 1.00 0.00 H new ATOM 0 HG21 THR A 3 -5.814 2.842 3.312 1.00 0.00 H new ATOM 0 HG22 THR A 3 -5.610 3.524 4.943 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.185 2.863 4.446 1.00 0.00 H new ATOM 48 N LEU A 4 -8.233 7.413 3.201 1.00 0.00 N ATOM 49 CA LEU A 4 -8.280 8.778 2.599 1.00 0.00 C ATOM 50 C LEU A 4 -8.609 9.871 3.637 1.00 0.00 C ATOM 51 O LEU A 4 -8.060 10.971 3.574 1.00 0.00 O ATOM 52 CB LEU A 4 -9.308 8.829 1.437 1.00 0.00 C ATOM 53 CG LEU A 4 -8.985 7.961 0.181 1.00 0.00 C ATOM 54 CD1 LEU A 4 -10.103 8.094 -0.873 1.00 0.00 C ATOM 55 CD2 LEU A 4 -7.605 8.327 -0.420 1.00 0.00 C ATOM 0 H LEU A 4 -8.828 6.739 2.720 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.282 8.983 2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.278 8.518 1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.410 9.866 1.118 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.936 6.919 0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.859 7.481 -1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.048 7.758 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.193 9.136 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.412 7.704 -1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.604 9.376 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.827 8.159 0.325 1.00 0.00 H new ATOM 67 N ASP A 5 -9.487 9.523 4.592 1.00 0.00 N ATOM 68 CA ASP A 5 -9.820 10.354 5.774 1.00 0.00 C ATOM 69 C ASP A 5 -8.542 10.762 6.535 1.00 0.00 C ATOM 70 O ASP A 5 -8.275 11.948 6.760 1.00 0.00 O ATOM 71 CB ASP A 5 -10.762 9.542 6.711 1.00 0.00 C ATOM 72 CG ASP A 5 -11.021 10.207 8.081 1.00 0.00 C ATOM 73 OD1 ASP A 5 -11.926 11.055 8.187 1.00 0.00 O ATOM 74 OD2 ASP A 5 -10.311 9.885 9.058 1.00 0.00 O ATOM 0 H ASP A 5 -9.998 8.641 4.569 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.319 11.264 5.442 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.717 9.392 6.206 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.330 8.555 6.875 1.00 0.00 H new ATOM 79 N ALA A 6 -7.757 9.741 6.890 1.00 0.00 N ATOM 80 CA ALA A 6 -6.505 9.888 7.640 1.00 0.00 C ATOM 81 C ALA A 6 -5.375 10.450 6.747 1.00 0.00 C ATOM 82 O ALA A 6 -4.457 11.110 7.244 1.00 0.00 O ATOM 83 CB ALA A 6 -6.118 8.526 8.238 1.00 0.00 C ATOM 0 H ALA A 6 -7.977 8.772 6.661 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.654 10.606 8.447 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.188 8.625 8.798 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.909 8.184 8.906 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.983 7.801 7.435 1.00 0.00 H new ATOM 89 N LEU A 7 -5.470 10.210 5.424 1.00 0.00 N ATOM 90 CA LEU A 7 -4.443 10.617 4.447 1.00 0.00 C ATOM 91 C LEU A 7 -4.535 12.119 4.147 1.00 0.00 C ATOM 92 O LEU A 7 -3.525 12.735 3.844 1.00 0.00 O ATOM 93 CB LEU A 7 -4.555 9.806 3.121 1.00 0.00 C ATOM 94 CG LEU A 7 -4.242 8.272 3.195 1.00 0.00 C ATOM 95 CD1 LEU A 7 -4.326 7.610 1.799 1.00 0.00 C ATOM 96 CD2 LEU A 7 -2.883 8.000 3.867 1.00 0.00 C ATOM 0 H LEU A 7 -6.264 9.727 5.003 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.473 10.403 4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.567 9.927 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.880 10.254 2.392 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.009 7.815 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.103 6.547 1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.330 7.738 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.604 8.078 1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.702 6.926 3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.091 8.484 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.893 8.397 4.882 1.00 0.00 H new ATOM 108 N THR A 8 -5.751 12.694 4.240 1.00 0.00 N ATOM 109 CA THR A 8 -5.998 14.121 3.937 1.00 0.00 C ATOM 110 C THR A 8 -5.045 15.080 4.733 1.00 0.00 C ATOM 111 O THR A 8 -4.385 15.904 4.095 1.00 0.00 O ATOM 112 CB THR A 8 -7.504 14.498 4.134 1.00 0.00 C ATOM 113 OG1 THR A 8 -8.317 13.694 3.266 1.00 0.00 O ATOM 114 CG2 THR A 8 -7.786 15.983 3.852 1.00 0.00 C ATOM 0 H THR A 8 -6.588 12.186 4.526 1.00 0.00 H new ATOM 0 HA THR A 8 -5.761 14.262 2.882 1.00 0.00 H new ATOM 0 HB THR A 8 -7.747 14.309 5.180 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.130 12.746 3.428 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.846 16.187 4.004 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.196 16.600 4.530 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.516 16.215 2.822 1.00 0.00 H new ATOM 122 N PRO A 9 -4.912 14.972 6.112 1.00 0.00 N ATOM 123 CA PRO A 9 -3.918 15.772 6.881 1.00 0.00 C ATOM 124 C PRO A 9 -2.458 15.531 6.427 1.00 0.00 C ATOM 125 O PRO A 9 -1.636 16.451 6.477 1.00 0.00 O ATOM 126 CB PRO A 9 -4.122 15.315 8.353 1.00 0.00 C ATOM 127 CG PRO A 9 -5.521 14.783 8.377 1.00 0.00 C ATOM 128 CD PRO A 9 -5.719 14.124 7.037 1.00 0.00 C ATOM 0 HA PRO A 9 -4.075 16.840 6.732 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.399 14.550 8.637 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.999 16.145 9.049 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.657 14.070 9.190 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.244 15.584 8.532 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.371 13.091 7.042 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.770 14.105 6.750 1.00 0.00 H new ATOM 136 N ILE A 10 -2.152 14.289 5.989 1.00 0.00 N ATOM 137 CA ILE A 10 -0.788 13.899 5.559 1.00 0.00 C ATOM 138 C ILE A 10 -0.396 14.650 4.271 1.00 0.00 C ATOM 139 O ILE A 10 0.613 15.343 4.244 1.00 0.00 O ATOM 140 CB ILE A 10 -0.645 12.344 5.317 1.00 0.00 C ATOM 141 CG1 ILE A 10 -1.154 11.519 6.549 1.00 0.00 C ATOM 142 CG2 ILE A 10 0.819 11.968 4.955 1.00 0.00 C ATOM 143 CD1 ILE A 10 -0.391 11.734 7.848 1.00 0.00 C ATOM 0 H ILE A 10 -2.835 13.535 5.923 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.117 14.172 6.374 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.278 12.085 4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.202 11.765 6.720 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.112 10.460 6.296 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.889 10.892 4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.115 12.491 4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.481 12.256 5.771 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.827 11.115 8.633 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.654 11.458 7.706 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.453 12.783 8.137 1.00 0.00 H new ATOM 155 N PHE A 11 -1.238 14.523 3.227 1.00 0.00 N ATOM 156 CA PHE A 11 -0.989 15.117 1.894 1.00 0.00 C ATOM 157 C PHE A 11 -1.019 16.655 1.972 1.00 0.00 C ATOM 158 O PHE A 11 -0.161 17.328 1.401 1.00 0.00 O ATOM 159 CB PHE A 11 -2.029 14.602 0.853 1.00 0.00 C ATOM 160 CG PHE A 11 -1.857 13.133 0.430 1.00 0.00 C ATOM 161 CD1 PHE A 11 -1.917 12.100 1.363 1.00 0.00 C ATOM 162 CD2 PHE A 11 -1.670 12.786 -0.906 1.00 0.00 C ATOM 163 CE1 PHE A 11 -1.791 10.779 0.983 1.00 0.00 C ATOM 164 CE2 PHE A 11 -1.540 11.465 -1.279 1.00 0.00 C ATOM 165 CZ PHE A 11 -1.606 10.462 -0.340 1.00 0.00 C ATOM 0 H PHE A 11 -2.114 14.004 3.282 1.00 0.00 H new ATOM 0 HA PHE A 11 0.003 14.807 1.565 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.029 14.730 1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.971 15.229 -0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.065 12.338 2.406 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.626 13.560 -1.658 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.838 9.996 1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.385 11.215 -2.318 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.513 9.429 -0.642 1.00 0.00 H new ATOM 175 N ARG A 12 -2.003 17.196 2.714 1.00 0.00 N ATOM 176 CA ARG A 12 -2.123 18.649 2.943 1.00 0.00 C ATOM 177 C ARG A 12 -0.931 19.204 3.741 1.00 0.00 C ATOM 178 O ARG A 12 -0.640 20.388 3.639 1.00 0.00 O ATOM 179 CB ARG A 12 -3.463 19.002 3.647 1.00 0.00 C ATOM 180 CG ARG A 12 -4.712 18.836 2.750 1.00 0.00 C ATOM 181 CD ARG A 12 -6.012 19.311 3.425 1.00 0.00 C ATOM 182 NE ARG A 12 -7.172 19.135 2.533 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.464 19.240 2.883 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.818 19.586 4.115 1.00 0.00 N ATOM 185 NH2 ARG A 12 -9.400 18.994 1.978 1.00 0.00 N ATOM 0 H ARG A 12 -2.731 16.645 3.168 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.116 19.125 1.963 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.575 18.370 4.528 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.416 20.033 3.998 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.565 19.395 1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.816 17.787 2.474 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.171 18.752 4.347 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.919 20.361 3.701 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.975 18.912 1.557 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.103 19.778 4.816 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.805 19.660 4.360 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.135 18.729 1.029 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.385 19.070 2.230 1.00 0.00 H new ATOM 199 N GLN A 13 -0.255 18.362 4.550 1.00 0.00 N ATOM 200 CA GLN A 13 0.953 18.784 5.288 1.00 0.00 C ATOM 201 C GLN A 13 2.182 18.778 4.360 1.00 0.00 C ATOM 202 O GLN A 13 2.898 19.783 4.266 1.00 0.00 O ATOM 203 CB GLN A 13 1.202 17.880 6.525 1.00 0.00 C ATOM 204 CG GLN A 13 2.272 18.418 7.502 1.00 0.00 C ATOM 205 CD GLN A 13 2.485 17.512 8.714 1.00 0.00 C ATOM 206 OE1 GLN A 13 1.798 17.635 9.725 1.00 0.00 O ATOM 207 NE2 GLN A 13 3.445 16.608 8.633 1.00 0.00 N ATOM 0 H GLN A 13 -0.524 17.391 4.708 1.00 0.00 H new ATOM 0 HA GLN A 13 0.789 19.801 5.644 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.263 17.757 7.065 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.505 16.891 6.182 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.217 18.532 6.970 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.977 19.410 7.844 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.000 16.528 7.781 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.631 15.990 9.423 1.00 0.00 H new ATOM 216 N VAL A 14 2.394 17.634 3.677 1.00 0.00 N ATOM 217 CA VAL A 14 3.532 17.395 2.762 1.00 0.00 C ATOM 218 C VAL A 14 3.604 18.446 1.637 1.00 0.00 C ATOM 219 O VAL A 14 4.649 19.061 1.424 1.00 0.00 O ATOM 220 CB VAL A 14 3.461 15.934 2.158 1.00 0.00 C ATOM 221 CG1 VAL A 14 4.521 15.698 1.049 1.00 0.00 C ATOM 222 CG2 VAL A 14 3.609 14.874 3.280 1.00 0.00 C ATOM 0 H VAL A 14 1.766 16.833 3.747 1.00 0.00 H new ATOM 0 HA VAL A 14 4.445 17.490 3.349 1.00 0.00 H new ATOM 0 HB VAL A 14 2.481 15.830 1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.429 14.681 0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.360 16.406 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.519 15.842 1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.558 13.875 2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.569 15.004 3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.804 14.996 4.005 1.00 0.00 H new ATOM 232 N PHE A 15 2.481 18.654 0.938 1.00 0.00 N ATOM 233 CA PHE A 15 2.391 19.637 -0.163 1.00 0.00 C ATOM 234 C PHE A 15 2.112 21.063 0.375 1.00 0.00 C ATOM 235 O PHE A 15 2.327 22.041 -0.348 1.00 0.00 O ATOM 236 CB PHE A 15 1.303 19.202 -1.185 1.00 0.00 C ATOM 237 CG PHE A 15 1.606 17.862 -1.871 1.00 0.00 C ATOM 238 CD1 PHE A 15 2.504 17.797 -2.937 1.00 0.00 C ATOM 239 CD2 PHE A 15 1.008 16.672 -1.444 1.00 0.00 C ATOM 240 CE1 PHE A 15 2.792 16.593 -3.549 1.00 0.00 C ATOM 241 CE2 PHE A 15 1.298 15.468 -2.058 1.00 0.00 C ATOM 242 CZ PHE A 15 2.189 15.429 -3.111 1.00 0.00 C ATOM 0 H PHE A 15 1.611 18.152 1.114 1.00 0.00 H new ATOM 0 HA PHE A 15 3.354 19.665 -0.674 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.343 19.130 -0.673 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.201 19.976 -1.946 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.980 18.700 -3.288 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.308 16.694 -0.621 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.490 16.561 -4.372 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.828 14.559 -1.714 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.415 14.489 -3.593 1.00 0.00 H new ATOM 252 N ASP A 16 1.629 21.148 1.644 1.00 0.00 N ATOM 253 CA ASP A 16 1.313 22.418 2.351 1.00 0.00 C ATOM 254 C ASP A 16 0.193 23.184 1.611 1.00 0.00 C ATOM 255 O ASP A 16 0.447 24.140 0.867 1.00 0.00 O ATOM 256 CB ASP A 16 2.582 23.287 2.593 1.00 0.00 C ATOM 257 CG ASP A 16 2.319 24.520 3.489 1.00 0.00 C ATOM 258 OD1 ASP A 16 2.215 24.357 4.728 1.00 0.00 O ATOM 259 OD2 ASP A 16 2.211 25.656 2.974 1.00 0.00 O ATOM 0 H ASP A 16 1.446 20.322 2.213 1.00 0.00 H new ATOM 0 HA ASP A 16 0.937 22.170 3.343 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.354 22.670 3.054 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.973 23.622 1.632 1.00 0.00 H new ATOM 264 N ASP A 17 -1.049 22.709 1.805 1.00 0.00 N ATOM 265 CA ASP A 17 -2.233 23.189 1.065 1.00 0.00 C ATOM 266 C ASP A 17 -3.515 22.796 1.847 1.00 0.00 C ATOM 267 O ASP A 17 -3.429 22.113 2.872 1.00 0.00 O ATOM 268 CB ASP A 17 -2.205 22.596 -0.383 1.00 0.00 C ATOM 269 CG ASP A 17 -3.169 23.279 -1.368 1.00 0.00 C ATOM 270 OD1 ASP A 17 -2.798 24.308 -1.966 1.00 0.00 O ATOM 271 OD2 ASP A 17 -4.308 22.802 -1.534 1.00 0.00 O ATOM 0 H ASP A 17 -1.263 21.977 2.483 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.226 24.275 0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.191 22.673 -0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.448 21.535 -0.333 1.00 0.00 H new ATOM 276 N ASP A 18 -4.699 23.208 1.357 1.00 0.00 N ATOM 277 CA ASP A 18 -5.993 23.023 2.069 1.00 0.00 C ATOM 278 C ASP A 18 -7.091 22.537 1.104 1.00 0.00 C ATOM 279 O ASP A 18 -8.095 21.969 1.527 1.00 0.00 O ATOM 280 CB ASP A 18 -6.436 24.353 2.752 1.00 0.00 C ATOM 281 CG ASP A 18 -7.011 25.408 1.774 1.00 0.00 C ATOM 282 OD1 ASP A 18 -6.383 25.677 0.729 1.00 0.00 O ATOM 283 OD2 ASP A 18 -8.111 25.946 2.030 1.00 0.00 O ATOM 0 H ASP A 18 -4.794 23.679 0.457 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.846 22.262 2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.188 24.127 3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.580 24.784 3.272 1.00 0.00 H new ATOM 288 N SER A 19 -6.890 22.796 -0.196 1.00 0.00 N ATOM 289 CA SER A 19 -7.864 22.479 -1.251 1.00 0.00 C ATOM 290 C SER A 19 -7.642 21.058 -1.811 1.00 0.00 C ATOM 291 O SER A 19 -8.388 20.618 -2.697 1.00 0.00 O ATOM 292 CB SER A 19 -7.747 23.525 -2.377 1.00 0.00 C ATOM 293 OG SER A 19 -7.820 24.848 -1.865 1.00 0.00 O ATOM 0 H SER A 19 -6.039 23.235 -0.548 1.00 0.00 H new ATOM 0 HA SER A 19 -8.866 22.509 -0.824 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.803 23.389 -2.905 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.544 23.370 -3.104 1.00 0.00 H new ATOM 0 HG SER A 19 -7.741 25.489 -2.602 1.00 0.00 H new ATOM 299 N ILE A 20 -6.587 20.365 -1.320 1.00 0.00 N ATOM 300 CA ILE A 20 -6.317 18.959 -1.670 1.00 0.00 C ATOM 301 C ILE A 20 -7.467 18.069 -1.158 1.00 0.00 C ATOM 302 O ILE A 20 -7.573 17.813 0.044 1.00 0.00 O ATOM 303 CB ILE A 20 -4.940 18.445 -1.085 1.00 0.00 C ATOM 304 CG1 ILE A 20 -3.755 19.342 -1.562 1.00 0.00 C ATOM 305 CG2 ILE A 20 -4.684 16.960 -1.462 1.00 0.00 C ATOM 306 CD1 ILE A 20 -2.385 18.910 -1.055 1.00 0.00 C ATOM 0 H ILE A 20 -5.906 20.766 -0.675 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.249 18.899 -2.756 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.003 18.512 0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.738 19.349 -2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.940 20.367 -1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.730 16.638 -1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.484 16.339 -1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.658 16.859 -2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.624 19.591 -1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.377 18.931 0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.172 17.898 -1.400 1.00 0.00 H new ATOM 318 N VAL A 21 -8.330 17.624 -2.072 1.00 0.00 N ATOM 319 CA VAL A 21 -9.477 16.764 -1.758 1.00 0.00 C ATOM 320 C VAL A 21 -9.209 15.410 -2.419 1.00 0.00 C ATOM 321 O VAL A 21 -9.347 15.263 -3.646 1.00 0.00 O ATOM 322 CB VAL A 21 -10.842 17.384 -2.246 1.00 0.00 C ATOM 323 CG1 VAL A 21 -12.038 16.433 -1.962 1.00 0.00 C ATOM 324 CG2 VAL A 21 -11.069 18.775 -1.592 1.00 0.00 C ATOM 0 H VAL A 21 -8.253 17.852 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.580 16.657 -0.678 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.783 17.514 -3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.961 16.895 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.884 15.489 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.109 16.248 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.015 19.190 -1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.096 18.667 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.255 19.445 -1.870 1.00 0.00 H new ATOM 334 N LEU A 22 -8.764 14.446 -1.603 1.00 0.00 N ATOM 335 CA LEU A 22 -8.307 13.141 -2.075 1.00 0.00 C ATOM 336 C LEU A 22 -9.488 12.260 -2.483 1.00 0.00 C ATOM 337 O LEU A 22 -10.537 12.254 -1.829 1.00 0.00 O ATOM 338 CB LEU A 22 -7.482 12.430 -0.976 1.00 0.00 C ATOM 339 CG LEU A 22 -6.195 13.176 -0.515 1.00 0.00 C ATOM 340 CD1 LEU A 22 -5.489 12.402 0.611 1.00 0.00 C ATOM 341 CD2 LEU A 22 -5.238 13.436 -1.709 1.00 0.00 C ATOM 0 H LEU A 22 -8.712 14.555 -0.590 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.677 13.304 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.123 12.276 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.198 11.443 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.492 14.147 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.593 12.942 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.162 12.304 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.211 11.411 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.349 13.958 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.947 12.485 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.745 14.047 -2.455 1.00 0.00 H new ATOM 353 N THR A 23 -9.288 11.529 -3.571 1.00 0.00 N ATOM 354 CA THR A 23 -10.193 10.484 -4.042 1.00 0.00 C ATOM 355 C THR A 23 -9.344 9.280 -4.460 1.00 0.00 C ATOM 356 O THR A 23 -8.100 9.359 -4.510 1.00 0.00 O ATOM 357 CB THR A 23 -11.080 10.962 -5.249 1.00 0.00 C ATOM 358 OG1 THR A 23 -10.253 11.405 -6.331 1.00 0.00 O ATOM 359 CG2 THR A 23 -12.065 12.078 -4.859 1.00 0.00 C ATOM 0 H THR A 23 -8.470 11.648 -4.168 1.00 0.00 H new ATOM 0 HA THR A 23 -10.878 10.222 -3.236 1.00 0.00 H new ATOM 0 HB THR A 23 -11.671 10.101 -5.562 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.552 11.997 -5.986 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.650 12.368 -5.732 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.733 11.717 -4.077 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.510 12.941 -4.491 1.00 0.00 H new ATOM 367 N ARG A 24 -10.014 8.172 -4.783 1.00 0.00 N ATOM 368 CA ARG A 24 -9.359 6.944 -5.251 1.00 0.00 C ATOM 369 C ARG A 24 -8.960 7.045 -6.741 1.00 0.00 C ATOM 370 O ARG A 24 -8.513 6.053 -7.323 1.00 0.00 O ATOM 371 CB ARG A 24 -10.277 5.718 -4.985 1.00 0.00 C ATOM 372 CG ARG A 24 -10.635 5.517 -3.493 1.00 0.00 C ATOM 373 CD ARG A 24 -11.561 4.316 -3.237 1.00 0.00 C ATOM 374 NE ARG A 24 -12.003 4.253 -1.824 1.00 0.00 N ATOM 375 CZ ARG A 24 -12.273 3.129 -1.142 1.00 0.00 C ATOM 376 NH1 ARG A 24 -12.059 1.939 -1.679 1.00 0.00 N ATOM 377 NH2 ARG A 24 -12.747 3.202 0.087 1.00 0.00 N ATOM 0 H ARG A 24 -11.030 8.099 -4.728 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.435 6.810 -4.688 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.197 5.834 -5.557 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.783 4.819 -5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.716 5.384 -2.922 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.115 6.421 -3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.433 4.384 -3.888 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.041 3.394 -3.496 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.111 5.138 -1.328 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.684 1.866 -2.625 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.269 1.094 -1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.908 4.112 0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.952 2.348 0.606 1.00 0.00 H new ATOM 391 N GLU A 25 -9.103 8.248 -7.342 1.00 0.00 N ATOM 392 CA GLU A 25 -8.660 8.537 -8.723 1.00 0.00 C ATOM 393 C GLU A 25 -7.743 9.783 -8.784 1.00 0.00 C ATOM 394 O GLU A 25 -7.188 10.085 -9.850 1.00 0.00 O ATOM 395 CB GLU A 25 -9.908 8.704 -9.632 1.00 0.00 C ATOM 396 CG GLU A 25 -10.866 9.842 -9.207 1.00 0.00 C ATOM 397 CD GLU A 25 -12.212 9.807 -9.949 1.00 0.00 C ATOM 398 OE1 GLU A 25 -13.104 9.032 -9.541 1.00 0.00 O ATOM 399 OE2 GLU A 25 -12.380 10.530 -10.954 1.00 0.00 O ATOM 0 H GLU A 25 -9.532 9.049 -6.879 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.063 7.699 -9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.575 8.889 -10.653 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.462 7.765 -9.643 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.048 9.774 -8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.383 10.802 -9.388 1.00 0.00 H new ATOM 406 N THR A 26 -7.592 10.514 -7.646 1.00 0.00 N ATOM 407 CA THR A 26 -6.619 11.634 -7.533 1.00 0.00 C ATOM 408 C THR A 26 -5.193 11.125 -7.805 1.00 0.00 C ATOM 409 O THR A 26 -4.788 10.149 -7.196 1.00 0.00 O ATOM 410 CB THR A 26 -6.668 12.283 -6.105 1.00 0.00 C ATOM 411 OG1 THR A 26 -7.975 12.803 -5.859 1.00 0.00 O ATOM 412 CG2 THR A 26 -5.634 13.419 -5.915 1.00 0.00 C ATOM 0 H THR A 26 -8.131 10.347 -6.796 1.00 0.00 H new ATOM 0 HA THR A 26 -6.891 12.388 -8.272 1.00 0.00 H new ATOM 0 HB THR A 26 -6.419 11.494 -5.396 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.933 13.467 -5.139 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.720 13.825 -4.907 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.629 13.024 -6.062 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.824 14.209 -6.642 1.00 0.00 H new ATOM 420 N SER A 27 -4.466 11.770 -8.726 1.00 0.00 N ATOM 421 CA SER A 27 -3.088 11.385 -9.107 1.00 0.00 C ATOM 422 C SER A 27 -2.191 12.636 -9.231 1.00 0.00 C ATOM 423 O SER A 27 -2.600 13.738 -8.853 1.00 0.00 O ATOM 424 CB SER A 27 -3.137 10.618 -10.453 1.00 0.00 C ATOM 425 OG SER A 27 -3.736 11.403 -11.470 1.00 0.00 O ATOM 0 H SER A 27 -4.815 12.582 -9.236 1.00 0.00 H new ATOM 0 HA SER A 27 -2.662 10.743 -8.336 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.127 10.340 -10.753 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.698 9.692 -10.327 1.00 0.00 H new ATOM 0 HG SER A 27 -3.752 10.895 -12.308 1.00 0.00 H new ATOM 431 N ALA A 28 -0.947 12.436 -9.726 1.00 0.00 N ATOM 432 CA ALA A 28 -0.043 13.538 -10.150 1.00 0.00 C ATOM 433 C ALA A 28 -0.662 14.454 -11.231 1.00 0.00 C ATOM 434 O ALA A 28 -0.166 15.562 -11.463 1.00 0.00 O ATOM 435 CB ALA A 28 1.291 12.972 -10.648 1.00 0.00 C ATOM 0 H ALA A 28 -0.540 11.508 -9.844 1.00 0.00 H new ATOM 0 HA ALA A 28 0.121 14.156 -9.268 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.942 13.791 -10.955 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.769 12.409 -9.846 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.112 12.313 -11.498 1.00 0.00 H new ATOM 441 N ASN A 29 -1.713 13.970 -11.912 1.00 0.00 N ATOM 442 CA ASN A 29 -2.522 14.791 -12.828 1.00 0.00 C ATOM 443 C ASN A 29 -3.293 15.872 -12.042 1.00 0.00 C ATOM 444 O ASN A 29 -3.370 17.029 -12.466 1.00 0.00 O ATOM 445 CB ASN A 29 -3.504 13.880 -13.614 1.00 0.00 C ATOM 446 CG ASN A 29 -4.483 14.652 -14.506 1.00 0.00 C ATOM 447 OD1 ASN A 29 -4.181 14.960 -15.657 1.00 0.00 O ATOM 448 ND2 ASN A 29 -5.662 14.966 -13.983 1.00 0.00 N ATOM 0 H ASN A 29 -2.025 13.001 -11.844 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.863 15.293 -13.536 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.929 13.190 -14.233 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.071 13.276 -12.906 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.347 15.477 -14.540 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -5.883 14.696 -13.024 1.00 0.00 H new ATOM 455 N ASP A 30 -3.856 15.478 -10.885 1.00 0.00 N ATOM 456 CA ASP A 30 -4.669 16.364 -10.023 1.00 0.00 C ATOM 457 C ASP A 30 -3.762 17.223 -9.133 1.00 0.00 C ATOM 458 O ASP A 30 -4.140 18.331 -8.736 1.00 0.00 O ATOM 459 CB ASP A 30 -5.623 15.517 -9.142 1.00 0.00 C ATOM 460 CG ASP A 30 -6.578 14.646 -9.973 1.00 0.00 C ATOM 461 OD1 ASP A 30 -6.130 13.596 -10.498 1.00 0.00 O ATOM 462 OD2 ASP A 30 -7.761 15.017 -10.127 1.00 0.00 O ATOM 0 H ASP A 30 -3.761 14.531 -10.517 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.260 17.022 -10.660 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.033 14.878 -8.485 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.206 16.180 -8.503 1.00 0.00 H new ATOM 467 N ILE A 31 -2.568 16.680 -8.815 1.00 0.00 N ATOM 468 CA ILE A 31 -1.541 17.365 -8.023 1.00 0.00 C ATOM 469 C ILE A 31 -0.301 17.535 -8.920 1.00 0.00 C ATOM 470 O ILE A 31 0.552 16.648 -8.986 1.00 0.00 O ATOM 471 CB ILE A 31 -1.164 16.575 -6.699 1.00 0.00 C ATOM 472 CG1 ILE A 31 -2.453 16.237 -5.866 1.00 0.00 C ATOM 473 CG2 ILE A 31 -0.135 17.377 -5.847 1.00 0.00 C ATOM 474 CD1 ILE A 31 -2.204 15.493 -4.560 1.00 0.00 C ATOM 0 H ILE A 31 -2.293 15.742 -9.107 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.928 18.330 -7.697 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.695 15.634 -6.985 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.976 17.167 -5.642 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.120 15.638 -6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.107 16.815 -4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.772 17.538 -6.429 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.564 18.340 -5.570 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.155 15.307 -4.060 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.713 14.543 -4.770 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.566 16.096 -3.914 1.00 0.00 H new ATOM 486 N ASP A 32 -0.266 18.655 -9.659 1.00 0.00 N ATOM 487 CA ASP A 32 0.849 18.999 -10.585 1.00 0.00 C ATOM 488 C ASP A 32 2.194 19.104 -9.848 1.00 0.00 C ATOM 489 O ASP A 32 3.256 18.873 -10.433 1.00 0.00 O ATOM 490 CB ASP A 32 0.559 20.326 -11.330 1.00 0.00 C ATOM 491 CG ASP A 32 -0.657 20.227 -12.263 1.00 0.00 C ATOM 492 OD1 ASP A 32 -1.803 20.350 -11.780 1.00 0.00 O ATOM 493 OD2 ASP A 32 -0.476 20.022 -13.486 1.00 0.00 O ATOM 0 H ASP A 32 -1.007 19.356 -9.638 1.00 0.00 H new ATOM 0 HA ASP A 32 0.920 18.188 -11.310 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.389 21.118 -10.601 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.436 20.611 -11.911 1.00 0.00 H new ATOM 498 N ALA A 33 2.116 19.469 -8.556 1.00 0.00 N ATOM 499 CA ALA A 33 3.271 19.592 -7.651 1.00 0.00 C ATOM 500 C ALA A 33 3.920 18.232 -7.320 1.00 0.00 C ATOM 501 O ALA A 33 5.023 18.198 -6.770 1.00 0.00 O ATOM 502 CB ALA A 33 2.833 20.305 -6.360 1.00 0.00 C ATOM 0 H ALA A 33 1.229 19.691 -8.103 1.00 0.00 H new ATOM 0 HA ALA A 33 4.031 20.180 -8.166 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.686 20.397 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.453 21.297 -6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.049 19.726 -5.873 1.00 0.00 H new ATOM 508 N TRP A 34 3.242 17.120 -7.661 1.00 0.00 N ATOM 509 CA TRP A 34 3.726 15.769 -7.338 1.00 0.00 C ATOM 510 C TRP A 34 4.906 15.391 -8.271 1.00 0.00 C ATOM 511 O TRP A 34 4.761 15.327 -9.491 1.00 0.00 O ATOM 512 CB TRP A 34 2.572 14.723 -7.437 1.00 0.00 C ATOM 513 CG TRP A 34 2.800 13.440 -6.660 1.00 0.00 C ATOM 514 CD1 TRP A 34 3.912 12.652 -6.663 1.00 0.00 C ATOM 515 CD2 TRP A 34 1.867 12.788 -5.790 1.00 0.00 C ATOM 516 NE1 TRP A 34 3.752 11.599 -5.817 1.00 0.00 N ATOM 517 CE2 TRP A 34 2.504 11.647 -5.278 1.00 0.00 C ATOM 518 CE3 TRP A 34 0.563 13.067 -5.387 1.00 0.00 C ATOM 519 CZ2 TRP A 34 1.884 10.775 -4.387 1.00 0.00 C ATOM 520 CZ3 TRP A 34 -0.055 12.208 -4.503 1.00 0.00 C ATOM 521 CH2 TRP A 34 0.607 11.074 -4.006 1.00 0.00 C ATOM 0 H TRP A 34 2.354 17.134 -8.162 1.00 0.00 H new ATOM 0 HA TRP A 34 4.084 15.764 -6.309 1.00 0.00 H new ATOM 0 HB2 TRP A 34 1.651 15.186 -7.082 1.00 0.00 H new ATOM 0 HB3 TRP A 34 2.419 14.472 -8.487 1.00 0.00 H new ATOM 0 HD1 TRP A 34 4.796 12.838 -7.254 1.00 0.00 H new ATOM 0 HE1 TRP A 34 4.455 10.887 -5.619 1.00 0.00 H new ATOM 0 HE3 TRP A 34 0.046 13.939 -5.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 2.392 9.898 -4.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -1.067 12.411 -4.187 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.097 10.426 -3.309 1.00 0.00 H new ATOM 532 N ASP A 35 6.066 15.152 -7.648 1.00 0.00 N ATOM 533 CA ASP A 35 7.298 14.644 -8.278 1.00 0.00 C ATOM 534 C ASP A 35 7.672 13.319 -7.589 1.00 0.00 C ATOM 535 O ASP A 35 6.967 12.877 -6.679 1.00 0.00 O ATOM 536 CB ASP A 35 8.452 15.672 -8.106 1.00 0.00 C ATOM 537 CG ASP A 35 8.143 17.043 -8.726 1.00 0.00 C ATOM 538 OD1 ASP A 35 8.190 17.166 -9.970 1.00 0.00 O ATOM 539 OD2 ASP A 35 7.847 18.001 -7.976 1.00 0.00 O ATOM 0 H ASP A 35 6.180 15.313 -6.647 1.00 0.00 H new ATOM 0 HA ASP A 35 7.137 14.487 -9.344 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.660 15.800 -7.044 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.357 15.271 -8.562 1.00 0.00 H new ATOM 544 N SER A 36 8.781 12.685 -8.000 1.00 0.00 N ATOM 545 CA SER A 36 9.298 11.480 -7.309 1.00 0.00 C ATOM 546 C SER A 36 9.970 11.838 -5.973 1.00 0.00 C ATOM 547 O SER A 36 10.143 10.979 -5.112 1.00 0.00 O ATOM 548 CB SER A 36 10.242 10.681 -8.221 1.00 0.00 C ATOM 549 OG SER A 36 9.484 10.148 -9.310 1.00 0.00 O ATOM 0 H SER A 36 9.338 12.980 -8.802 1.00 0.00 H new ATOM 0 HA SER A 36 8.445 10.842 -7.077 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.040 11.323 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.717 9.875 -7.661 1.00 0.00 H new ATOM 554 N LEU A 37 10.340 13.115 -5.818 1.00 0.00 N ATOM 555 CA LEU A 37 10.793 13.660 -4.527 1.00 0.00 C ATOM 556 C LEU A 37 9.583 13.867 -3.596 1.00 0.00 C ATOM 557 O LEU A 37 9.686 13.627 -2.388 1.00 0.00 O ATOM 558 CB LEU A 37 11.604 14.974 -4.715 1.00 0.00 C ATOM 559 CG LEU A 37 13.072 14.827 -5.253 1.00 0.00 C ATOM 560 CD1 LEU A 37 13.942 13.977 -4.304 1.00 0.00 C ATOM 561 CD2 LEU A 37 13.113 14.276 -6.695 1.00 0.00 C ATOM 0 H LEU A 37 10.335 13.797 -6.576 1.00 0.00 H new ATOM 0 HA LEU A 37 11.468 12.941 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 37 11.053 15.618 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.643 15.490 -3.755 1.00 0.00 H new ATOM 0 HG LEU A 37 13.496 15.831 -5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.951 13.897 -4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.981 14.451 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.510 12.981 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.149 14.192 -7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.643 13.293 -6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.576 14.954 -7.359 1.00 0.00 H new ATOM 573 N SER A 38 8.433 14.287 -4.174 1.00 0.00 N ATOM 574 CA SER A 38 7.157 14.388 -3.434 1.00 0.00 C ATOM 575 C SER A 38 6.663 12.993 -3.012 1.00 0.00 C ATOM 576 O SER A 38 6.062 12.858 -1.953 1.00 0.00 O ATOM 577 CB SER A 38 6.077 15.082 -4.280 1.00 0.00 C ATOM 578 OG SER A 38 6.531 16.325 -4.788 1.00 0.00 O ATOM 0 H SER A 38 8.365 14.562 -5.154 1.00 0.00 H new ATOM 0 HA SER A 38 7.341 14.988 -2.543 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.790 14.433 -5.107 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.185 15.240 -3.674 1.00 0.00 H new ATOM 0 HG SER A 38 5.819 16.743 -5.316 1.00 0.00 H new ATOM 584 N HIS A 39 6.910 11.975 -3.879 1.00 0.00 N ATOM 585 CA HIS A 39 6.701 10.545 -3.546 1.00 0.00 C ATOM 586 C HIS A 39 7.412 10.197 -2.236 1.00 0.00 C ATOM 587 O HIS A 39 6.797 9.689 -1.313 1.00 0.00 O ATOM 588 CB HIS A 39 7.228 9.596 -4.673 1.00 0.00 C ATOM 589 CG HIS A 39 6.230 9.218 -5.734 1.00 0.00 C ATOM 590 ND1 HIS A 39 4.965 8.803 -5.404 1.00 0.00 N ATOM 591 CD2 HIS A 39 6.381 9.140 -7.075 1.00 0.00 C ATOM 592 CE1 HIS A 39 4.385 8.483 -6.542 1.00 0.00 C ATOM 593 NE2 HIS A 39 5.205 8.665 -7.580 1.00 0.00 N ATOM 0 H HIS A 39 7.259 12.125 -4.826 1.00 0.00 H new ATOM 0 HA HIS A 39 5.626 10.396 -3.445 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.079 10.076 -5.156 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.599 8.682 -4.208 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.558 8.753 -4.470 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.264 9.403 -7.639 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.372 8.119 -6.625 1.00 0.00 H new ATOM 601 N MET A 40 8.713 10.530 -2.169 1.00 0.00 N ATOM 602 CA MET A 40 9.566 10.159 -1.031 1.00 0.00 C ATOM 603 C MET A 40 9.107 10.866 0.252 1.00 0.00 C ATOM 604 O MET A 40 8.980 10.224 1.287 1.00 0.00 O ATOM 605 CB MET A 40 11.058 10.464 -1.320 1.00 0.00 C ATOM 606 CG MET A 40 11.637 9.702 -2.524 1.00 0.00 C ATOM 607 SD MET A 40 11.256 7.926 -2.498 1.00 0.00 S ATOM 608 CE MET A 40 11.986 7.383 -0.950 1.00 0.00 C ATOM 0 H MET A 40 9.197 11.058 -2.895 1.00 0.00 H new ATOM 0 HA MET A 40 9.468 9.084 -0.883 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.171 11.534 -1.493 1.00 0.00 H new ATOM 0 HB3 MET A 40 11.645 10.221 -0.434 1.00 0.00 H new ATOM 0 HG2 MET A 40 11.246 10.137 -3.443 1.00 0.00 H new ATOM 0 HG3 MET A 40 12.719 9.835 -2.544 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.849 6.307 -0.841 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.051 7.615 -0.949 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.502 7.897 -0.119 1.00 0.00 H new ATOM 618 N ASN A 41 8.809 12.178 0.141 1.00 0.00 N ATOM 619 CA ASN A 41 8.333 13.005 1.279 1.00 0.00 C ATOM 620 C ASN A 41 7.016 12.442 1.845 1.00 0.00 C ATOM 621 O ASN A 41 6.893 12.210 3.046 1.00 0.00 O ATOM 622 CB ASN A 41 8.126 14.485 0.841 1.00 0.00 C ATOM 623 CG ASN A 41 9.398 15.161 0.333 1.00 0.00 C ATOM 624 OD1 ASN A 41 10.508 14.823 0.743 1.00 0.00 O ATOM 625 ND2 ASN A 41 9.239 16.126 -0.557 1.00 0.00 N ATOM 0 H ASN A 41 8.890 12.695 -0.734 1.00 0.00 H new ATOM 0 HA ASN A 41 9.096 12.973 2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.369 14.520 0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.736 15.053 1.686 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.053 16.618 -0.927 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.303 16.379 -0.873 1.00 0.00 H new ATOM 632 N LEU A 42 6.069 12.183 0.936 1.00 0.00 N ATOM 633 CA LEU A 42 4.716 11.697 1.258 1.00 0.00 C ATOM 634 C LEU A 42 4.770 10.289 1.893 1.00 0.00 C ATOM 635 O LEU A 42 4.116 10.026 2.907 1.00 0.00 O ATOM 636 CB LEU A 42 3.861 11.730 -0.055 1.00 0.00 C ATOM 637 CG LEU A 42 2.310 11.524 0.047 1.00 0.00 C ATOM 638 CD1 LEU A 42 1.914 10.040 0.182 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.716 12.373 1.187 1.00 0.00 C ATOM 0 H LEU A 42 6.222 12.307 -0.065 1.00 0.00 H new ATOM 0 HA LEU A 42 4.247 12.342 2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.035 12.692 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.252 10.963 -0.723 1.00 0.00 H new ATOM 0 HG LEU A 42 1.882 11.870 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.829 9.958 0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.267 9.489 -0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.366 9.623 1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.639 12.212 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.171 12.081 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.917 13.427 0.998 1.00 0.00 H new ATOM 651 N ILE A 43 5.576 9.410 1.293 1.00 0.00 N ATOM 652 CA ILE A 43 5.671 7.992 1.680 1.00 0.00 C ATOM 653 C ILE A 43 6.344 7.833 3.054 1.00 0.00 C ATOM 654 O ILE A 43 5.832 7.086 3.889 1.00 0.00 O ATOM 655 CB ILE A 43 6.384 7.134 0.541 1.00 0.00 C ATOM 656 CG1 ILE A 43 5.327 6.528 -0.450 1.00 0.00 C ATOM 657 CG2 ILE A 43 7.315 6.028 1.089 1.00 0.00 C ATOM 658 CD1 ILE A 43 4.431 7.537 -1.150 1.00 0.00 C ATOM 0 H ILE A 43 6.189 9.660 0.517 1.00 0.00 H new ATOM 0 HA ILE A 43 4.661 7.596 1.783 1.00 0.00 H new ATOM 0 HB ILE A 43 7.025 7.830 -0.000 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.855 5.950 -1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.697 5.830 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.765 5.486 0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.100 6.480 1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.737 5.337 1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.740 7.013 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.867 8.100 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.043 8.222 -1.736 1.00 0.00 H new ATOM 670 N VAL A 44 7.457 8.562 3.304 1.00 0.00 N ATOM 671 CA VAL A 44 8.152 8.494 4.603 1.00 0.00 C ATOM 672 C VAL A 44 7.278 9.080 5.726 1.00 0.00 C ATOM 673 O VAL A 44 7.398 8.665 6.873 1.00 0.00 O ATOM 674 CB VAL A 44 9.562 9.185 4.589 1.00 0.00 C ATOM 675 CG1 VAL A 44 10.499 8.509 3.556 1.00 0.00 C ATOM 676 CG2 VAL A 44 9.462 10.715 4.357 1.00 0.00 C ATOM 0 H VAL A 44 7.886 9.196 2.630 1.00 0.00 H new ATOM 0 HA VAL A 44 8.324 7.436 4.798 1.00 0.00 H new ATOM 0 HB VAL A 44 10.000 9.050 5.578 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.469 9.006 3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.627 7.458 3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.061 8.588 2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.462 11.149 4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.982 10.907 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.872 11.166 5.155 1.00 0.00 H new ATOM 686 N SER A 45 6.396 10.036 5.365 1.00 0.00 N ATOM 687 CA SER A 45 5.368 10.575 6.276 1.00 0.00 C ATOM 688 C SER A 45 4.373 9.477 6.678 1.00 0.00 C ATOM 689 O SER A 45 3.995 9.370 7.843 1.00 0.00 O ATOM 690 CB SER A 45 4.635 11.759 5.622 1.00 0.00 C ATOM 691 OG SER A 45 5.541 12.799 5.318 1.00 0.00 O ATOM 0 H SER A 45 6.378 10.454 4.435 1.00 0.00 H new ATOM 0 HA SER A 45 5.863 10.934 7.178 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.136 11.427 4.712 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.860 12.129 6.293 1.00 0.00 H new ATOM 0 HG SER A 45 6.095 12.537 4.553 1.00 0.00 H new ATOM 697 N LEU A 46 3.982 8.638 5.708 1.00 0.00 N ATOM 698 CA LEU A 46 3.083 7.501 5.962 1.00 0.00 C ATOM 699 C LEU A 46 3.774 6.458 6.861 1.00 0.00 C ATOM 700 O LEU A 46 3.156 5.891 7.762 1.00 0.00 O ATOM 701 CB LEU A 46 2.633 6.851 4.630 1.00 0.00 C ATOM 702 CG LEU A 46 1.883 7.791 3.637 1.00 0.00 C ATOM 703 CD1 LEU A 46 1.548 7.070 2.319 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.617 8.384 4.279 1.00 0.00 C ATOM 0 H LEU A 46 4.276 8.726 4.735 1.00 0.00 H new ATOM 0 HA LEU A 46 2.198 7.874 6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.513 6.450 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.985 6.005 4.861 1.00 0.00 H new ATOM 0 HG LEU A 46 2.556 8.615 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.026 7.756 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.469 6.733 1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.911 6.210 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.116 9.035 3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.056 7.577 4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.893 8.961 5.162 1.00 0.00 H new ATOM 716 N GLU A 47 5.073 6.245 6.614 1.00 0.00 N ATOM 717 CA GLU A 47 5.875 5.245 7.328 1.00 0.00 C ATOM 718 C GLU A 47 6.069 5.636 8.805 1.00 0.00 C ATOM 719 O GLU A 47 5.896 4.798 9.684 1.00 0.00 O ATOM 720 CB GLU A 47 7.244 5.036 6.623 1.00 0.00 C ATOM 721 CG GLU A 47 7.133 4.487 5.186 1.00 0.00 C ATOM 722 CD GLU A 47 8.498 4.269 4.509 1.00 0.00 C ATOM 723 OE1 GLU A 47 9.144 5.263 4.121 1.00 0.00 O ATOM 724 OE2 GLU A 47 8.946 3.108 4.384 1.00 0.00 O ATOM 0 H GLU A 47 5.599 6.764 5.910 1.00 0.00 H new ATOM 0 HA GLU A 47 5.332 4.300 7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.777 5.987 6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.846 4.349 7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.591 3.542 5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.544 5.179 4.585 1.00 0.00 H new ATOM 731 N VAL A 48 6.418 6.910 9.073 1.00 0.00 N ATOM 732 CA VAL A 48 6.667 7.392 10.448 1.00 0.00 C ATOM 733 C VAL A 48 5.360 7.584 11.260 1.00 0.00 C ATOM 734 O VAL A 48 5.330 7.284 12.456 1.00 0.00 O ATOM 735 CB VAL A 48 7.530 8.712 10.469 1.00 0.00 C ATOM 736 CG1 VAL A 48 8.911 8.477 9.815 1.00 0.00 C ATOM 737 CG2 VAL A 48 6.804 9.914 9.808 1.00 0.00 C ATOM 0 H VAL A 48 6.534 7.625 8.355 1.00 0.00 H new ATOM 0 HA VAL A 48 7.243 6.605 10.936 1.00 0.00 H new ATOM 0 HB VAL A 48 7.678 8.973 11.517 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.488 9.401 9.841 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.445 7.700 10.362 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.775 8.164 8.780 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.445 10.795 9.851 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.582 9.678 8.767 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.874 10.115 10.340 1.00 0.00 H new ATOM 747 N HIS A 49 4.295 8.099 10.609 1.00 0.00 N ATOM 748 CA HIS A 49 2.976 8.321 11.261 1.00 0.00 C ATOM 749 C HIS A 49 2.258 6.985 11.561 1.00 0.00 C ATOM 750 O HIS A 49 1.907 6.705 12.712 1.00 0.00 O ATOM 751 CB HIS A 49 2.063 9.247 10.394 1.00 0.00 C ATOM 752 CG HIS A 49 2.390 10.727 10.458 1.00 0.00 C ATOM 753 ND1 HIS A 49 1.551 11.658 11.038 1.00 0.00 N ATOM 754 CD2 HIS A 49 3.454 11.428 10.008 1.00 0.00 C ATOM 755 CE1 HIS A 49 2.082 12.857 10.931 1.00 0.00 C ATOM 756 NE2 HIS A 49 3.239 12.743 10.313 1.00 0.00 N ATOM 0 H HIS A 49 4.319 8.372 9.626 1.00 0.00 H new ATOM 0 HA HIS A 49 3.169 8.821 12.210 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.127 8.923 9.355 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.029 9.107 10.709 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.317 11.023 9.500 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.644 13.777 11.289 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.873 13.512 10.097 1.00 0.00 H new ATOM 765 N TYR A 50 2.067 6.159 10.515 1.00 0.00 N ATOM 766 CA TYR A 50 1.252 4.917 10.592 1.00 0.00 C ATOM 767 C TYR A 50 2.086 3.698 11.025 1.00 0.00 C ATOM 768 O TYR A 50 1.523 2.613 11.221 1.00 0.00 O ATOM 769 CB TYR A 50 0.577 4.629 9.227 1.00 0.00 C ATOM 770 CG TYR A 50 -0.381 5.726 8.736 1.00 0.00 C ATOM 771 CD1 TYR A 50 0.099 6.839 8.048 1.00 0.00 C ATOM 772 CD2 TYR A 50 -1.761 5.640 8.947 1.00 0.00 C ATOM 773 CE1 TYR A 50 -0.748 7.824 7.602 1.00 0.00 C ATOM 774 CE2 TYR A 50 -2.612 6.626 8.495 1.00 0.00 C ATOM 775 CZ TYR A 50 -2.097 7.709 7.819 1.00 0.00 C ATOM 776 OH TYR A 50 -2.937 8.692 7.364 1.00 0.00 O ATOM 0 H TYR A 50 2.469 6.327 9.593 1.00 0.00 H new ATOM 0 HA TYR A 50 0.489 5.084 11.352 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.354 4.483 8.477 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.026 3.692 9.301 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.159 6.929 7.862 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.166 4.788 9.472 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.353 8.685 7.083 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.675 6.549 8.670 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.914 9.453 7.981 1.00 0.00 H new ATOM 786 N LYS A 51 3.421 3.883 11.130 1.00 0.00 N ATOM 787 CA LYS A 51 4.382 2.817 11.522 1.00 0.00 C ATOM 788 C LYS A 51 4.467 1.719 10.434 1.00 0.00 C ATOM 789 O LYS A 51 4.934 0.607 10.698 1.00 0.00 O ATOM 790 CB LYS A 51 4.066 2.229 12.948 1.00 0.00 C ATOM 791 CG LYS A 51 4.657 3.023 14.146 1.00 0.00 C ATOM 792 CD LYS A 51 4.323 4.531 14.115 1.00 0.00 C ATOM 793 CE LYS A 51 4.880 5.294 15.330 1.00 0.00 C ATOM 794 NZ LYS A 51 4.710 6.763 15.191 1.00 0.00 N ATOM 0 H LYS A 51 3.869 4.780 10.945 1.00 0.00 H new ATOM 0 HA LYS A 51 5.369 3.274 11.598 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.984 2.176 13.068 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.442 1.207 12.992 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.281 2.595 15.075 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.740 2.900 14.154 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.726 4.968 13.202 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.241 4.657 14.078 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.374 4.955 16.234 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.938 5.061 15.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.372 7.251 15.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.904 7.044 14.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.734 7.025 15.439 1.00 0.00 H new ATOM 808 N ILE A 52 4.087 2.087 9.190 1.00 0.00 N ATOM 809 CA ILE A 52 4.031 1.161 8.041 1.00 0.00 C ATOM 810 C ILE A 52 5.314 1.318 7.204 1.00 0.00 C ATOM 811 O ILE A 52 6.218 2.047 7.610 1.00 0.00 O ATOM 812 CB ILE A 52 2.739 1.420 7.171 1.00 0.00 C ATOM 813 CG1 ILE A 52 2.741 2.845 6.527 1.00 0.00 C ATOM 814 CG2 ILE A 52 1.466 1.204 8.026 1.00 0.00 C ATOM 815 CD1 ILE A 52 1.491 3.189 5.725 1.00 0.00 C ATOM 0 H ILE A 52 3.809 3.040 8.956 1.00 0.00 H new ATOM 0 HA ILE A 52 3.970 0.135 8.405 1.00 0.00 H new ATOM 0 HB ILE A 52 2.742 0.700 6.352 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.862 3.585 7.318 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.609 2.931 5.874 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.582 1.386 7.415 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.446 0.179 8.397 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.472 1.895 8.869 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.585 4.196 5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.375 2.477 4.908 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.617 3.141 6.375 1.00 0.00 H new ATOM 827 N LYS A 53 5.409 0.638 6.048 1.00 0.00 N ATOM 828 CA LYS A 53 6.639 0.658 5.228 1.00 0.00 C ATOM 829 C LYS A 53 6.331 0.511 3.731 1.00 0.00 C ATOM 830 O LYS A 53 5.682 -0.450 3.335 1.00 0.00 O ATOM 831 CB LYS A 53 7.575 -0.494 5.664 1.00 0.00 C ATOM 832 CG LYS A 53 8.919 -0.545 4.903 1.00 0.00 C ATOM 833 CD LYS A 53 9.671 -1.871 5.107 1.00 0.00 C ATOM 834 CE LYS A 53 10.972 -1.941 4.292 1.00 0.00 C ATOM 835 NZ LYS A 53 11.545 -3.304 4.283 1.00 0.00 N ATOM 0 H LYS A 53 4.656 0.070 5.660 1.00 0.00 H new ATOM 0 HA LYS A 53 7.122 1.623 5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.778 -0.397 6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.055 -1.442 5.523 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.734 -0.398 3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.550 0.280 5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.902 -1.995 6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.023 -2.700 4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.776 -1.623 3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.699 -1.244 4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.421 -3.309 3.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.756 -3.598 5.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.862 -3.965 3.862 1.00 0.00 H new ATOM 849 N PHE A 54 6.820 1.455 2.911 1.00 0.00 N ATOM 850 CA PHE A 54 6.821 1.330 1.442 1.00 0.00 C ATOM 851 C PHE A 54 8.263 1.122 0.954 1.00 0.00 C ATOM 852 O PHE A 54 9.193 1.789 1.419 1.00 0.00 O ATOM 853 CB PHE A 54 6.226 2.585 0.743 1.00 0.00 C ATOM 854 CG PHE A 54 4.765 2.887 1.079 1.00 0.00 C ATOM 855 CD1 PHE A 54 4.425 3.472 2.300 1.00 0.00 C ATOM 856 CD2 PHE A 54 3.734 2.593 0.180 1.00 0.00 C ATOM 857 CE1 PHE A 54 3.113 3.755 2.604 1.00 0.00 C ATOM 858 CE2 PHE A 54 2.423 2.883 0.493 1.00 0.00 C ATOM 859 CZ PHE A 54 2.113 3.457 1.704 1.00 0.00 C ATOM 0 H PHE A 54 7.227 2.328 3.247 1.00 0.00 H new ATOM 0 HA PHE A 54 6.195 0.476 1.183 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.830 3.451 1.012 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.315 2.457 -0.336 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.201 3.705 3.014 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.968 2.134 -0.769 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.866 4.212 3.551 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.638 2.659 -0.214 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.084 3.674 1.950 1.00 0.00 H new ATOM 869 N ALA A 55 8.418 0.183 0.018 1.00 0.00 N ATOM 870 CA ALA A 55 9.657 -0.033 -0.741 1.00 0.00 C ATOM 871 C ALA A 55 9.511 0.673 -2.093 1.00 0.00 C ATOM 872 O ALA A 55 8.394 1.008 -2.483 1.00 0.00 O ATOM 873 CB ALA A 55 9.902 -1.541 -0.932 1.00 0.00 C ATOM 0 H ALA A 55 7.672 -0.463 -0.241 1.00 0.00 H new ATOM 0 HA ALA A 55 10.513 0.375 -0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.823 -1.692 -1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.990 -2.022 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.067 -1.979 -1.478 1.00 0.00 H new ATOM 879 N LEU A 56 10.624 0.888 -2.815 1.00 0.00 N ATOM 880 CA LEU A 56 10.606 1.506 -4.167 1.00 0.00 C ATOM 881 C LEU A 56 9.739 0.647 -5.130 1.00 0.00 C ATOM 882 O LEU A 56 9.138 1.182 -6.061 1.00 0.00 O ATOM 883 CB LEU A 56 12.081 1.699 -4.675 1.00 0.00 C ATOM 884 CG LEU A 56 12.341 2.531 -5.994 1.00 0.00 C ATOM 885 CD1 LEU A 56 12.128 1.703 -7.282 1.00 0.00 C ATOM 886 CD2 LEU A 56 11.508 3.836 -6.014 1.00 0.00 C ATOM 0 H LEU A 56 11.559 0.643 -2.488 1.00 0.00 H new ATOM 0 HA LEU A 56 10.147 2.494 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.645 2.173 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.509 0.708 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 56 13.396 2.806 -5.979 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.321 2.329 -8.153 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.812 0.854 -7.286 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.100 1.341 -7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.711 4.383 -6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.447 3.591 -5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.779 4.454 -5.158 1.00 0.00 H new ATOM 898 N GLY A 57 9.659 -0.675 -4.856 1.00 0.00 N ATOM 899 CA GLY A 57 8.740 -1.573 -5.565 1.00 0.00 C ATOM 900 C GLY A 57 7.271 -1.195 -5.371 1.00 0.00 C ATOM 901 O GLY A 57 6.473 -1.260 -6.314 1.00 0.00 O ATOM 0 H GLY A 57 10.225 -1.138 -4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.976 -1.560 -6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.896 -2.594 -5.216 1.00 0.00 H new ATOM 905 N GLU A 58 6.919 -0.793 -4.135 1.00 0.00 N ATOM 906 CA GLU A 58 5.569 -0.282 -3.804 1.00 0.00 C ATOM 907 C GLU A 58 5.324 1.056 -4.518 1.00 0.00 C ATOM 908 O GLU A 58 4.234 1.294 -5.021 1.00 0.00 O ATOM 909 CB GLU A 58 5.409 -0.115 -2.267 1.00 0.00 C ATOM 910 CG GLU A 58 5.637 -1.406 -1.448 1.00 0.00 C ATOM 911 CD GLU A 58 4.543 -2.478 -1.633 1.00 0.00 C ATOM 912 OE1 GLU A 58 4.593 -3.247 -2.617 1.00 0.00 O ATOM 913 OE2 GLU A 58 3.637 -2.562 -0.777 1.00 0.00 O ATOM 0 H GLU A 58 7.557 -0.812 -3.339 1.00 0.00 H new ATOM 0 HA GLU A 58 4.828 -1.005 -4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.110 0.645 -1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.406 0.259 -2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.600 -1.834 -1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.699 -1.146 -0.391 1.00 0.00 H new ATOM 920 N LEU A 59 6.375 1.902 -4.575 1.00 0.00 N ATOM 921 CA LEU A 59 6.358 3.218 -5.264 1.00 0.00 C ATOM 922 C LEU A 59 6.060 3.068 -6.776 1.00 0.00 C ATOM 923 O LEU A 59 5.385 3.919 -7.370 1.00 0.00 O ATOM 924 CB LEU A 59 7.717 3.960 -5.033 1.00 0.00 C ATOM 925 CG LEU A 59 7.870 4.803 -3.719 1.00 0.00 C ATOM 926 CD1 LEU A 59 7.023 6.075 -3.786 1.00 0.00 C ATOM 927 CD2 LEU A 59 7.529 3.998 -2.450 1.00 0.00 C ATOM 0 H LEU A 59 7.273 1.691 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 59 5.552 3.815 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.513 3.216 -5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.885 4.625 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 59 8.922 5.078 -3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.146 6.643 -2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.345 6.683 -4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.974 5.807 -3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.653 4.633 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.497 3.652 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.196 3.139 -2.374 1.00 0.00 H new ATOM 939 N GLN A 60 6.591 1.988 -7.381 1.00 0.00 N ATOM 940 CA GLN A 60 6.267 1.596 -8.770 1.00 0.00 C ATOM 941 C GLN A 60 4.766 1.257 -8.928 1.00 0.00 C ATOM 942 O GLN A 60 4.165 1.552 -9.963 1.00 0.00 O ATOM 943 CB GLN A 60 7.137 0.385 -9.208 1.00 0.00 C ATOM 944 CG GLN A 60 8.665 0.622 -9.213 1.00 0.00 C ATOM 945 CD GLN A 60 9.176 1.594 -10.293 1.00 0.00 C ATOM 946 OE1 GLN A 60 8.486 2.521 -10.723 1.00 0.00 O ATOM 947 NE2 GLN A 60 10.408 1.394 -10.733 1.00 0.00 N ATOM 0 H GLN A 60 7.255 1.363 -6.924 1.00 0.00 H new ATOM 0 HA GLN A 60 6.489 2.447 -9.414 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.920 -0.453 -8.545 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.831 0.086 -10.211 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.960 1.003 -8.235 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.165 -0.338 -9.345 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.962 0.621 -10.364 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.803 2.013 -11.441 1.00 0.00 H new ATOM 956 N LYS A 61 4.175 0.653 -7.880 1.00 0.00 N ATOM 957 CA LYS A 61 2.739 0.285 -7.862 1.00 0.00 C ATOM 958 C LYS A 61 1.841 1.518 -7.598 1.00 0.00 C ATOM 959 O LYS A 61 0.627 1.448 -7.814 1.00 0.00 O ATOM 960 CB LYS A 61 2.479 -0.812 -6.784 1.00 0.00 C ATOM 961 CG LYS A 61 3.249 -2.140 -7.005 1.00 0.00 C ATOM 962 CD LYS A 61 2.860 -2.866 -8.322 1.00 0.00 C ATOM 963 CE LYS A 61 1.399 -3.358 -8.340 1.00 0.00 C ATOM 964 NZ LYS A 61 1.045 -3.991 -9.632 1.00 0.00 N ATOM 0 H LYS A 61 4.673 0.406 -7.025 1.00 0.00 H new ATOM 0 HA LYS A 61 2.482 -0.110 -8.845 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.748 -0.411 -5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.411 -1.028 -6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.319 -1.934 -7.015 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.060 -2.805 -6.163 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.018 -2.189 -9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.524 -3.717 -8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.247 -4.073 -7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.731 -2.518 -8.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.055 -4.308 -9.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.166 -3.301 -10.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.666 -4.808 -9.800 1.00 0.00 H new ATOM 978 N LEU A 62 2.441 2.638 -7.134 1.00 0.00 N ATOM 979 CA LEU A 62 1.707 3.877 -6.814 1.00 0.00 C ATOM 980 C LEU A 62 1.577 4.742 -8.075 1.00 0.00 C ATOM 981 O LEU A 62 2.509 5.460 -8.449 1.00 0.00 O ATOM 982 CB LEU A 62 2.418 4.661 -5.675 1.00 0.00 C ATOM 983 CG LEU A 62 2.624 3.875 -4.344 1.00 0.00 C ATOM 984 CD1 LEU A 62 3.409 4.705 -3.316 1.00 0.00 C ATOM 985 CD2 LEU A 62 1.286 3.366 -3.760 1.00 0.00 C ATOM 0 H LEU A 62 3.446 2.705 -6.972 1.00 0.00 H new ATOM 0 HA LEU A 62 0.709 3.615 -6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.392 4.989 -6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.839 5.559 -5.460 1.00 0.00 H new ATOM 0 HG LEU A 62 3.223 2.996 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.534 4.127 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.388 4.957 -3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.862 5.621 -3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.476 2.824 -2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.632 4.214 -3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.806 2.701 -4.477 1.00 0.00 H new ATOM 997 N LYS A 63 0.438 4.607 -8.756 1.00 0.00 N ATOM 998 CA LYS A 63 0.075 5.407 -9.943 1.00 0.00 C ATOM 999 C LYS A 63 -0.904 6.527 -9.546 1.00 0.00 C ATOM 1000 O LYS A 63 -1.111 7.477 -10.306 1.00 0.00 O ATOM 1001 CB LYS A 63 -0.504 4.443 -11.030 1.00 0.00 C ATOM 1002 CG LYS A 63 -1.136 5.072 -12.312 1.00 0.00 C ATOM 1003 CD LYS A 63 -2.672 5.363 -12.209 1.00 0.00 C ATOM 1004 CE LYS A 63 -3.561 4.097 -12.119 1.00 0.00 C ATOM 1005 NZ LYS A 63 -3.433 3.367 -10.826 1.00 0.00 N ATOM 0 H LYS A 63 -0.277 3.927 -8.498 1.00 0.00 H new ATOM 0 HA LYS A 63 0.950 5.902 -10.365 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.299 3.777 -11.347 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.263 3.822 -10.554 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.618 6.004 -12.536 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.963 4.401 -13.153 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.854 5.982 -11.331 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.978 5.945 -13.078 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.603 4.384 -12.263 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.301 3.422 -12.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.287 2.796 -10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.601 2.744 -10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.322 4.051 -10.051 1.00 0.00 H new ATOM 1019 N ASN A 64 -1.502 6.424 -8.343 1.00 0.00 N ATOM 1020 CA ASN A 64 -2.368 7.485 -7.804 1.00 0.00 C ATOM 1021 C ASN A 64 -2.612 7.293 -6.291 1.00 0.00 C ATOM 1022 O ASN A 64 -2.179 6.306 -5.701 1.00 0.00 O ATOM 1023 CB ASN A 64 -3.698 7.571 -8.617 1.00 0.00 C ATOM 1024 CG ASN A 64 -4.682 6.433 -8.391 1.00 0.00 C ATOM 1025 OD1 ASN A 64 -4.492 5.322 -8.874 1.00 0.00 O ATOM 1026 ND2 ASN A 64 -5.787 6.720 -7.728 1.00 0.00 N ATOM 0 H ASN A 64 -1.400 5.617 -7.728 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.858 8.442 -7.916 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.193 8.510 -8.370 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.452 7.609 -9.678 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.508 6.009 -7.607 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.919 7.653 -7.336 1.00 0.00 H new ATOM 1033 N VAL A 65 -3.298 8.275 -5.684 1.00 0.00 N ATOM 1034 CA VAL A 65 -3.669 8.292 -4.245 1.00 0.00 C ATOM 1035 C VAL A 65 -4.619 7.124 -3.880 1.00 0.00 C ATOM 1036 O VAL A 65 -4.708 6.724 -2.719 1.00 0.00 O ATOM 1037 CB VAL A 65 -4.341 9.672 -3.860 1.00 0.00 C ATOM 1038 CG1 VAL A 65 -4.707 9.752 -2.354 1.00 0.00 C ATOM 1039 CG2 VAL A 65 -3.436 10.863 -4.272 1.00 0.00 C ATOM 0 H VAL A 65 -3.621 9.102 -6.185 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.749 8.168 -3.674 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.275 9.736 -4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.165 10.718 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.409 8.956 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.804 9.638 -1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.920 11.800 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.477 10.786 -3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.274 10.841 -5.350 1.00 0.00 H new ATOM 1049 N GLY A 66 -5.308 6.582 -4.892 1.00 0.00 N ATOM 1050 CA GLY A 66 -6.127 5.376 -4.739 1.00 0.00 C ATOM 1051 C GLY A 66 -5.279 4.137 -4.485 1.00 0.00 C ATOM 1052 O GLY A 66 -5.708 3.218 -3.775 1.00 0.00 O ATOM 0 H GLY A 66 -5.313 6.967 -5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.824 5.514 -3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.725 5.228 -5.638 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.069 4.118 -5.078 1.00 0.00 N ATOM 1057 CA ASP A 67 -3.056 3.096 -4.777 1.00 0.00 C ATOM 1058 C ASP A 67 -2.549 3.268 -3.342 1.00 0.00 C ATOM 1059 O ASP A 67 -2.371 2.279 -2.651 1.00 0.00 O ATOM 1060 CB ASP A 67 -1.877 3.131 -5.778 1.00 0.00 C ATOM 1061 CG ASP A 67 -2.301 2.756 -7.202 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -2.598 1.568 -7.445 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -2.346 3.631 -8.084 1.00 0.00 O ATOM 0 H ASP A 67 -3.772 4.804 -5.771 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.531 2.120 -4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.440 4.130 -5.784 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.099 2.445 -5.442 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.328 4.529 -2.895 1.00 0.00 N ATOM 1069 CA LEU A 68 -1.987 4.811 -1.479 1.00 0.00 C ATOM 1070 C LEU A 68 -3.125 4.348 -0.547 1.00 0.00 C ATOM 1071 O LEU A 68 -2.859 3.801 0.507 1.00 0.00 O ATOM 1072 CB LEU A 68 -1.659 6.321 -1.212 1.00 0.00 C ATOM 1073 CG LEU A 68 -0.228 6.826 -1.608 1.00 0.00 C ATOM 1074 CD1 LEU A 68 0.870 5.896 -1.056 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -0.086 7.037 -3.133 1.00 0.00 C ATOM 0 H LEU A 68 -2.379 5.358 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.080 4.246 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.391 6.925 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.803 6.515 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.094 7.803 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.849 6.275 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.805 5.861 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.734 4.893 -1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.921 7.387 -3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.267 6.094 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.811 7.779 -3.467 1.00 0.00 H new ATOM 1087 N ALA A 69 -4.384 4.538 -0.967 1.00 0.00 N ATOM 1088 CA ALA A 69 -5.563 4.123 -0.182 1.00 0.00 C ATOM 1089 C ALA A 69 -5.535 2.601 0.052 1.00 0.00 C ATOM 1090 O ALA A 69 -5.744 2.123 1.176 1.00 0.00 O ATOM 1091 CB ALA A 69 -6.861 4.547 -0.894 1.00 0.00 C ATOM 0 H ALA A 69 -4.617 4.981 -1.856 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.533 4.620 0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.720 4.233 -0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.876 5.631 -1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.907 4.078 -1.877 1.00 0.00 H new ATOM 1097 N ASP A 70 -5.218 1.863 -1.026 1.00 0.00 N ATOM 1098 CA ASP A 70 -5.083 0.403 -0.990 1.00 0.00 C ATOM 1099 C ASP A 70 -3.914 -0.028 -0.086 1.00 0.00 C ATOM 1100 O ASP A 70 -4.122 -0.753 0.892 1.00 0.00 O ATOM 1101 CB ASP A 70 -4.895 -0.160 -2.421 1.00 0.00 C ATOM 1102 CG ASP A 70 -4.673 -1.686 -2.446 1.00 0.00 C ATOM 1103 OD1 ASP A 70 -5.657 -2.437 -2.268 1.00 0.00 O ATOM 1104 OD2 ASP A 70 -3.517 -2.145 -2.618 1.00 0.00 O ATOM 0 H ASP A 70 -5.049 2.267 -1.947 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.001 -0.007 -0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.773 0.083 -3.019 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.043 0.333 -2.890 1.00 0.00 H new ATOM 1109 N LEU A 71 -2.701 0.456 -0.410 1.00 0.00 N ATOM 1110 CA LEU A 71 -1.456 0.012 0.246 1.00 0.00 C ATOM 1111 C LEU A 71 -1.451 0.351 1.748 1.00 0.00 C ATOM 1112 O LEU A 71 -1.159 -0.523 2.558 1.00 0.00 O ATOM 1113 CB LEU A 71 -0.173 0.581 -0.454 1.00 0.00 C ATOM 1114 CG LEU A 71 0.399 -0.224 -1.676 1.00 0.00 C ATOM 1115 CD1 LEU A 71 0.508 -1.724 -1.358 1.00 0.00 C ATOM 1116 CD2 LEU A 71 -0.392 0.013 -2.974 1.00 0.00 C ATOM 0 H LEU A 71 -2.556 1.163 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.428 -1.073 0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.394 1.594 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.614 0.659 0.296 1.00 0.00 H new ATOM 0 HG LEU A 71 1.404 0.161 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.907 -2.252 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.174 -1.868 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.479 -2.117 -1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.051 -0.570 -3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.428 -0.295 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.361 1.072 -3.231 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.789 1.609 2.103 1.00 0.00 N ATOM 1129 CA VAL A 72 -1.875 2.053 3.513 1.00 0.00 C ATOM 1130 C VAL A 72 -2.871 1.164 4.303 1.00 0.00 C ATOM 1131 O VAL A 72 -2.555 0.752 5.411 1.00 0.00 O ATOM 1132 CB VAL A 72 -2.255 3.587 3.643 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -2.447 4.022 5.123 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -1.190 4.494 2.952 1.00 0.00 C ATOM 0 H VAL A 72 -2.009 2.341 1.427 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.882 1.939 3.948 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.210 3.714 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.706 5.080 5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.248 3.436 5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.522 3.855 5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.479 5.540 3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.219 4.336 3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.128 4.241 1.894 1.00 0.00 H new ATOM 1144 N ASP A 73 -4.030 0.814 3.690 1.00 0.00 N ATOM 1145 CA ASP A 73 -5.059 -0.039 4.354 1.00 0.00 C ATOM 1146 C ASP A 73 -4.528 -1.462 4.617 1.00 0.00 C ATOM 1147 O ASP A 73 -4.782 -2.054 5.673 1.00 0.00 O ATOM 1148 CB ASP A 73 -6.356 -0.120 3.498 1.00 0.00 C ATOM 1149 CG ASP A 73 -7.548 -0.726 4.267 1.00 0.00 C ATOM 1150 OD1 ASP A 73 -8.217 0.021 5.018 1.00 0.00 O ATOM 1151 OD2 ASP A 73 -7.823 -1.939 4.138 1.00 0.00 O ATOM 0 H ASP A 73 -4.278 1.105 2.744 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.292 0.429 5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.622 0.880 3.156 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.161 -0.720 2.609 1.00 0.00 H new ATOM 1156 N LYS A 74 -3.779 -1.983 3.635 1.00 0.00 N ATOM 1157 CA LYS A 74 -3.194 -3.334 3.704 1.00 0.00 C ATOM 1158 C LYS A 74 -2.104 -3.408 4.781 1.00 0.00 C ATOM 1159 O LYS A 74 -1.996 -4.402 5.511 1.00 0.00 O ATOM 1160 CB LYS A 74 -2.627 -3.783 2.328 1.00 0.00 C ATOM 1161 CG LYS A 74 -3.682 -3.933 1.198 1.00 0.00 C ATOM 1162 CD LYS A 74 -4.898 -4.810 1.603 1.00 0.00 C ATOM 1163 CE LYS A 74 -4.518 -6.250 2.008 1.00 0.00 C ATOM 1164 NZ LYS A 74 -5.663 -6.969 2.615 1.00 0.00 N ATOM 0 H LYS A 74 -3.561 -1.484 2.773 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.996 -4.020 3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.876 -3.061 2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.117 -4.738 2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.037 -2.944 0.909 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.205 -4.370 0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.417 -4.333 2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.599 -4.850 0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.170 -6.795 1.131 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.689 -6.222 2.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.370 -7.933 2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.979 -6.462 3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.445 -7.017 1.931 1.00 0.00 H new ATOM 1178 N LYS A 75 -1.329 -2.328 4.894 1.00 0.00 N ATOM 1179 CA LYS A 75 -0.238 -2.219 5.862 1.00 0.00 C ATOM 1180 C LYS A 75 -0.785 -1.924 7.269 1.00 0.00 C ATOM 1181 O LYS A 75 -0.156 -2.299 8.255 1.00 0.00 O ATOM 1182 CB LYS A 75 0.747 -1.127 5.401 1.00 0.00 C ATOM 1183 CG LYS A 75 1.425 -1.432 4.048 1.00 0.00 C ATOM 1184 CD LYS A 75 2.259 -0.250 3.505 1.00 0.00 C ATOM 1185 CE LYS A 75 2.791 -0.510 2.086 1.00 0.00 C ATOM 1186 NZ LYS A 75 3.626 -1.735 2.021 1.00 0.00 N ATOM 0 H LYS A 75 -1.442 -1.498 4.311 1.00 0.00 H new ATOM 0 HA LYS A 75 0.294 -3.169 5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.215 -0.179 5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.517 -1.000 6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.071 -2.303 4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.660 -1.695 3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.646 0.652 3.501 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.098 -0.062 4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.952 -0.606 1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.378 0.347 1.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.852 -1.949 1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.507 -1.583 2.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.105 -2.533 2.437 1.00 0.00 H new ATOM 1200 N LEU A 76 -1.961 -1.263 7.349 1.00 0.00 N ATOM 1201 CA LEU A 76 -2.675 -1.031 8.631 1.00 0.00 C ATOM 1202 C LEU A 76 -3.385 -2.310 9.097 1.00 0.00 C ATOM 1203 O LEU A 76 -3.680 -2.454 10.284 1.00 0.00 O ATOM 1204 CB LEU A 76 -3.686 0.146 8.528 1.00 0.00 C ATOM 1205 CG LEU A 76 -3.061 1.573 8.401 1.00 0.00 C ATOM 1206 CD1 LEU A 76 -4.158 2.658 8.337 1.00 0.00 C ATOM 1207 CD2 LEU A 76 -2.051 1.852 9.546 1.00 0.00 C ATOM 0 H LEU A 76 -2.441 -0.877 6.536 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.926 -0.755 9.373 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.328 -0.027 7.664 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.326 0.128 9.410 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.507 1.610 7.463 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.694 3.640 8.249 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.796 2.479 7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.760 2.621 9.245 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.635 2.852 9.428 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.562 1.782 10.507 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.247 1.118 9.509 1.00 0.00 H new ATOM 1219 N ALA A 77 -3.686 -3.210 8.145 1.00 0.00 N ATOM 1220 CA ALA A 77 -4.134 -4.585 8.451 1.00 0.00 C ATOM 1221 C ALA A 77 -2.986 -5.390 9.091 1.00 0.00 C ATOM 1222 O ALA A 77 -3.214 -6.217 9.977 1.00 0.00 O ATOM 1223 CB ALA A 77 -4.663 -5.282 7.189 1.00 0.00 C ATOM 0 H ALA A 77 -3.627 -3.009 7.147 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.954 -4.531 9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.987 -6.292 7.440 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.507 -4.719 6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.872 -5.330 6.441 1.00 0.00 H new ATOM 1229 N ARG A 78 -1.749 -5.118 8.632 1.00 0.00 N ATOM 1230 CA ARG A 78 -0.523 -5.694 9.225 1.00 0.00 C ATOM 1231 C ARG A 78 -0.217 -5.027 10.585 1.00 0.00 C ATOM 1232 O ARG A 78 0.326 -5.663 11.492 1.00 0.00 O ATOM 1233 CB ARG A 78 0.689 -5.523 8.265 1.00 0.00 C ATOM 1234 CG ARG A 78 0.480 -6.057 6.827 1.00 0.00 C ATOM 1235 CD ARG A 78 -0.014 -7.519 6.784 1.00 0.00 C ATOM 1236 NE ARG A 78 0.923 -8.452 7.445 1.00 0.00 N ATOM 1237 CZ ARG A 78 0.597 -9.642 7.967 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -0.661 -10.072 7.972 1.00 0.00 N ATOM 1239 NH2 ARG A 78 1.546 -10.404 8.486 1.00 0.00 N ATOM 0 H ARG A 78 -1.570 -4.496 7.844 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.692 -6.759 9.383 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.938 -4.463 8.208 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.550 -6.030 8.701 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.241 -5.422 6.312 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.419 -5.982 6.279 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.989 -7.584 7.268 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.152 -7.822 5.746 1.00 0.00 H new ATOM 0 HE ARG A 78 1.900 -8.166 7.509 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.400 -9.492 7.573 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.888 -10.981 8.375 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.514 -10.084 8.486 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.309 -11.312 8.886 1.00 0.00 H new ATOM 1253 N LYS A 79 -0.546 -3.718 10.697 1.00 0.00 N ATOM 1254 CA LYS A 79 -0.363 -2.925 11.939 1.00 0.00 C ATOM 1255 C LYS A 79 -1.531 -3.106 12.916 1.00 0.00 C ATOM 1256 O LYS A 79 -1.449 -2.628 14.049 1.00 0.00 O ATOM 1257 CB LYS A 79 -0.180 -1.416 11.616 1.00 0.00 C ATOM 1258 CG LYS A 79 1.118 -1.078 10.852 1.00 0.00 C ATOM 1259 CD LYS A 79 2.432 -1.322 11.670 1.00 0.00 C ATOM 1260 CE LYS A 79 3.391 -2.345 11.020 1.00 0.00 C ATOM 1261 NZ LYS A 79 2.875 -3.739 11.091 1.00 0.00 N ATOM 0 H LYS A 79 -0.946 -3.180 9.928 1.00 0.00 H new ATOM 0 HA LYS A 79 0.541 -3.301 12.419 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.032 -1.078 11.027 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.194 -0.853 12.549 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.155 -1.675 9.941 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.084 -0.032 10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.955 -0.373 11.791 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.168 -1.669 12.669 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.552 -2.074 9.977 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.360 -2.295 11.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.641 -4.405 10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.523 -3.931 12.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.100 -3.857 10.408 1.00 0.00 H new ATOM 1275 N LEU A 80 -2.617 -3.770 12.468 1.00 0.00 N ATOM 1276 CA LEU A 80 -3.769 -4.105 13.330 1.00 0.00 C ATOM 1277 C LEU A 80 -3.242 -5.031 14.438 1.00 0.00 C ATOM 1278 O LEU A 80 -2.645 -6.064 14.125 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.915 -4.770 12.486 1.00 0.00 C ATOM 1280 CG LEU A 80 -6.389 -4.625 13.021 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -6.619 -5.367 14.352 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -6.795 -3.135 13.135 1.00 0.00 C ATOM 0 H LEU A 80 -2.720 -4.087 11.504 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.208 -3.213 13.777 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.879 -4.351 11.481 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.693 -5.833 12.396 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.035 -5.104 12.285 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.652 -5.231 14.671 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.418 -6.430 14.216 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.949 -4.966 15.113 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.817 -3.064 13.507 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.122 -2.626 13.825 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.732 -2.665 12.154 1.00 0.00 H new ATOM 1294 N GLU A 81 -3.439 -4.611 15.702 1.00 0.00 N ATOM 1295 CA GLU A 81 -2.766 -5.181 16.888 1.00 0.00 C ATOM 1296 C GLU A 81 -2.917 -6.726 16.936 1.00 0.00 C ATOM 1297 O GLU A 81 -4.003 -7.259 16.676 1.00 0.00 O ATOM 1298 CB GLU A 81 -3.321 -4.500 18.186 1.00 0.00 C ATOM 1299 CG GLU A 81 -2.301 -4.296 19.337 1.00 0.00 C ATOM 1300 CD GLU A 81 -1.722 -5.598 19.905 1.00 0.00 C ATOM 1301 OE1 GLU A 81 -2.438 -6.281 20.655 1.00 0.00 O ATOM 1302 OE2 GLU A 81 -0.563 -5.960 19.578 1.00 0.00 O ATOM 0 H GLU A 81 -4.081 -3.853 15.933 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.698 -4.975 16.821 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.732 -3.527 17.915 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.148 -5.102 18.563 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.482 -3.675 18.975 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.786 -3.745 20.143 1.00 0.00 H new ATOM 1309 N HIS A 82 -1.797 -7.400 17.278 1.00 0.00 N ATOM 1310 CA HIS A 82 -1.631 -8.869 17.196 1.00 0.00 C ATOM 1311 C HIS A 82 -2.706 -9.637 17.978 1.00 0.00 C ATOM 1312 O HIS A 82 -3.131 -10.716 17.553 1.00 0.00 O ATOM 1313 CB HIS A 82 -0.228 -9.263 17.716 1.00 0.00 C ATOM 1314 CG HIS A 82 0.899 -8.622 16.957 1.00 0.00 C ATOM 1315 ND1 HIS A 82 1.609 -7.544 17.433 1.00 0.00 N ATOM 1316 CD2 HIS A 82 1.433 -8.917 15.749 1.00 0.00 C ATOM 1317 CE1 HIS A 82 2.530 -7.208 16.559 1.00 0.00 C ATOM 1318 NE2 HIS A 82 2.446 -8.022 15.526 1.00 0.00 N ATOM 0 H HIS A 82 -0.963 -6.927 17.627 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.741 -9.145 16.147 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -0.149 -8.987 18.768 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.121 -10.346 17.662 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.119 -9.709 15.085 1.00 0.00 H new ATOM 0 HE1 HIS A 82 3.238 -6.400 16.669 1.00 0.00 H new ATOM 0 HE2 HIS A 82 3.038 -7.991 14.696 1.00 0.00 H new ATOM 1327 N HIS A 83 -3.131 -9.079 19.124 1.00 0.00 N ATOM 1328 CA HIS A 83 -4.231 -9.645 19.910 1.00 0.00 C ATOM 1329 C HIS A 83 -5.553 -9.316 19.206 1.00 0.00 C ATOM 1330 O HIS A 83 -5.867 -8.144 19.004 1.00 0.00 O ATOM 1331 CB HIS A 83 -4.220 -9.094 21.357 1.00 0.00 C ATOM 1332 CG HIS A 83 -2.931 -9.367 22.088 1.00 0.00 C ATOM 1333 ND1 HIS A 83 -2.091 -8.373 22.528 1.00 0.00 N ATOM 1334 CD2 HIS A 83 -2.350 -10.530 22.459 1.00 0.00 C ATOM 1335 CE1 HIS A 83 -1.048 -8.903 23.116 1.00 0.00 C ATOM 1336 NE2 HIS A 83 -1.178 -10.214 23.096 1.00 0.00 N ATOM 0 H HIS A 83 -2.725 -8.233 19.525 1.00 0.00 H new ATOM 0 HA HIS A 83 -4.113 -10.726 19.979 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -4.394 -8.018 21.330 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -5.046 -9.537 21.913 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -2.255 -7.373 22.414 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -2.737 -11.523 22.286 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.221 -8.357 23.545 1.00 0.00 H new ATOM 1345 N HIS A 84 -6.302 -10.360 18.800 1.00 0.00 N ATOM 1346 CA HIS A 84 -7.610 -10.197 18.128 1.00 0.00 C ATOM 1347 C HIS A 84 -8.692 -9.724 19.124 1.00 0.00 C ATOM 1348 O HIS A 84 -9.731 -9.200 18.716 1.00 0.00 O ATOM 1349 CB HIS A 84 -8.042 -11.511 17.416 1.00 0.00 C ATOM 1350 CG HIS A 84 -9.315 -11.369 16.605 1.00 0.00 C ATOM 1351 ND1 HIS A 84 -10.529 -11.911 16.986 1.00 0.00 N ATOM 1352 CD2 HIS A 84 -9.561 -10.689 15.455 1.00 0.00 C ATOM 1353 CE1 HIS A 84 -11.456 -11.576 16.107 1.00 0.00 C ATOM 1354 NE2 HIS A 84 -10.897 -10.832 15.177 1.00 0.00 N ATOM 0 H HIS A 84 -6.022 -11.333 18.926 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.498 -9.426 17.366 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -7.237 -11.841 16.759 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -8.182 -12.291 18.164 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.840 -10.139 14.869 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -12.496 -11.864 16.145 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -11.380 -10.426 14.376 1.00 0.00 H new ATOM 1363 N HIS A 85 -8.424 -9.911 20.430 1.00 0.00 N ATOM 1364 CA HIS A 85 -9.318 -9.488 21.524 1.00 0.00 C ATOM 1365 C HIS A 85 -9.337 -7.942 21.651 1.00 0.00 C ATOM 1366 O HIS A 85 -8.645 -7.361 22.491 1.00 0.00 O ATOM 1367 CB HIS A 85 -8.868 -10.168 22.844 1.00 0.00 C ATOM 1368 CG HIS A 85 -9.758 -9.896 24.029 1.00 0.00 C ATOM 1369 ND1 HIS A 85 -9.429 -9.012 25.032 1.00 0.00 N ATOM 1370 CD2 HIS A 85 -10.967 -10.401 24.358 1.00 0.00 C ATOM 1371 CE1 HIS A 85 -10.399 -8.985 25.922 1.00 0.00 C ATOM 1372 NE2 HIS A 85 -11.341 -9.817 25.538 1.00 0.00 N ATOM 0 H HIS A 85 -7.572 -10.365 20.759 1.00 0.00 H new ATOM 0 HA HIS A 85 -10.338 -9.801 21.304 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -8.819 -11.245 22.683 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -7.858 -9.835 23.082 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -11.532 -11.129 23.795 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -10.417 -8.381 26.817 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -12.211 -9.998 26.039 1.00 0.00 H new ATOM 1381 N HIS A 86 -10.095 -7.299 20.745 1.00 0.00 N ATOM 1382 CA HIS A 86 -10.314 -5.831 20.680 1.00 0.00 C ATOM 1383 C HIS A 86 -11.634 -5.562 19.927 1.00 0.00 C ATOM 1384 O HIS A 86 -12.171 -6.463 19.269 1.00 0.00 O ATOM 1385 CB HIS A 86 -9.158 -5.082 19.950 1.00 0.00 C ATOM 1386 CG HIS A 86 -7.839 -5.048 20.677 1.00 0.00 C ATOM 1387 ND1 HIS A 86 -6.757 -5.801 20.294 1.00 0.00 N ATOM 1388 CD2 HIS A 86 -7.432 -4.338 21.756 1.00 0.00 C ATOM 1389 CE1 HIS A 86 -5.746 -5.564 21.102 1.00 0.00 C ATOM 1390 NE2 HIS A 86 -6.126 -4.679 21.999 1.00 0.00 N ATOM 0 H HIS A 86 -10.593 -7.799 20.009 1.00 0.00 H new ATOM 0 HA HIS A 86 -10.352 -5.457 21.703 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -9.004 -5.550 18.978 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -9.475 -4.056 19.763 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -6.739 -6.446 19.504 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -8.026 -3.634 22.320 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -4.769 -6.019 21.040 1.00 0.00 H new ATOM 1399 N HIS A 87 -12.138 -4.318 20.013 1.00 0.00 N ATOM 1400 CA HIS A 87 -13.369 -3.901 19.311 1.00 0.00 C ATOM 1401 C HIS A 87 -13.026 -3.530 17.850 1.00 0.00 C ATOM 1402 O HIS A 87 -12.618 -2.374 17.598 1.00 0.00 O ATOM 1403 CB HIS A 87 -14.056 -2.717 20.054 1.00 0.00 C ATOM 1404 CG HIS A 87 -14.535 -3.062 21.437 1.00 0.00 C ATOM 1405 ND1 HIS A 87 -15.837 -3.410 21.714 1.00 0.00 N ATOM 1406 CD2 HIS A 87 -13.881 -3.104 22.624 1.00 0.00 C ATOM 1407 CE1 HIS A 87 -15.967 -3.646 23.000 1.00 0.00 C ATOM 1408 NE2 HIS A 87 -14.795 -3.472 23.577 1.00 0.00 N ATOM 1409 OXT HIS A 87 -13.127 -4.405 16.961 1.00 0.00 O ATOM 0 H HIS A 87 -11.708 -3.577 20.567 1.00 0.00 H new ATOM 0 HA HIS A 87 -14.078 -4.729 19.303 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -13.354 -1.886 20.120 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -14.904 -2.372 19.462 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -12.836 -2.888 22.788 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -16.880 -3.934 23.500 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -14.600 -3.592 24.571 1.00 0.00 H new TER 1418 HIS A 87 HETATM 1419 P24 PNS A 88 9.668 10.622 -10.830 1.00 0.00 P HETATM 1420 O25 PNS A 88 10.473 9.510 -11.353 1.00 0.00 O HETATM 1421 O26 PNS A 88 10.231 11.987 -10.846 1.00 0.00 O HETATM 1422 O27 PNS A 88 8.184 10.596 -11.431 1.00 0.00 O HETATM 1423 C28 PNS A 88 7.236 11.616 -11.108 1.00 0.00 C HETATM 1424 C29 PNS A 88 5.773 11.164 -11.442 1.00 0.00 C HETATM 1425 C30 PNS A 88 4.800 12.348 -11.184 1.00 0.00 C HETATM 1426 C31 PNS A 88 5.391 10.011 -10.477 1.00 0.00 C HETATM 1427 C32 PNS A 88 5.707 10.697 -12.968 1.00 0.00 C HETATM 1428 O33 PNS A 88 6.461 9.485 -13.142 1.00 0.00 O HETATM 1429 C34 PNS A 88 4.275 10.425 -13.490 1.00 0.00 C HETATM 1430 O35 PNS A 88 3.807 11.107 -14.403 1.00 0.00 O HETATM 1431 N36 PNS A 88 3.604 9.416 -12.910 1.00 0.00 N HETATM 1432 C37 PNS A 88 2.237 9.027 -13.297 1.00 0.00 C HETATM 1433 C38 PNS A 88 1.510 8.278 -12.173 1.00 0.00 C HETATM 1434 C39 PNS A 88 1.222 9.173 -10.954 1.00 0.00 C HETATM 1435 O40 PNS A 88 0.258 9.947 -10.975 1.00 0.00 O HETATM 1436 N41 PNS A 88 2.058 9.075 -9.901 1.00 0.00 N HETATM 1437 C42 PNS A 88 1.895 9.887 -8.667 1.00 0.00 C HETATM 1438 C43 PNS A 88 0.702 9.466 -7.804 1.00 0.00 C HETATM 1439 S44 PNS A 88 0.967 7.890 -6.963 1.00 0.00 S HETATM 0 H432 PNS A 88 0.505 10.240 -7.062 1.00 0.00 H new HETATM 0 H431 PNS A 88 -0.186 9.393 -8.431 1.00 0.00 H new HETATM 0 H422 PNS A 88 1.779 10.935 -8.945 1.00 0.00 H new HETATM 0 H421 PNS A 88 2.806 9.814 -8.072 1.00 0.00 H new HETATM 0 H382 PNS A 88 2.114 7.427 -11.859 1.00 0.00 H new HETATM 0 H381 PNS A 88 0.571 7.879 -12.556 1.00 0.00 H new HETATM 0 H372 PNS A 88 2.278 8.396 -14.185 1.00 0.00 H new HETATM 0 H371 PNS A 88 1.669 9.918 -13.565 1.00 0.00 H new HETATM 0 H313 PNS A 88 4.375 9.679 -10.691 1.00 0.00 H new HETATM 0 H312 PNS A 88 5.448 10.364 -9.447 1.00 0.00 H new HETATM 0 H311 PNS A 88 6.081 9.178 -10.614 1.00 0.00 H new HETATM 0 H303 PNS A 88 3.781 12.038 -11.415 1.00 0.00 H new HETATM 0 H302 PNS A 88 5.076 13.190 -11.818 1.00 0.00 H new HETATM 0 H301 PNS A 88 4.860 12.647 -10.137 1.00 0.00 H new HETATM 0 H282 PNS A 88 7.473 12.524 -11.662 1.00 0.00 H new HETATM 0 H281 PNS A 88 7.310 11.861 -10.048 1.00 0.00 H new HETATM 0 H44 PNS A 88 0.153 7.794 -5.954 1.00 0.00 H new HETATM 0 H41 PNS A 88 2.835 8.416 -9.953 1.00 0.00 H new HETATM 0 H36 PNS A 88 4.064 8.893 -12.165 1.00 0.00 H new HETATM 0 H33 PNS A 88 7.291 9.539 -12.623 1.00 0.00 H new HETATM 0 H32 PNS A 88 6.119 11.530 -13.538 1.00 0.00 H new