USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 TYR OH : rot -77:sc= 0.511 USER MOD Set 1.2: A 102 HIS : no HE2:sc= -0.387 K(o=0.48,f=1.3) USER MOD Set 1.3: A 105 SER OG : rot -150:sc= 0.361 USER MOD Set 2.1: A 89 HIS : no HD1:sc= 1.03 K(o=2.3,f=-4.5!) USER MOD Set 2.2: A 119 THR OG1 : rot 85:sc= 1.29 USER MOD Set 3.1: A 64 MET CE :methyl -164:sc= -0.0325 (180deg=-0.138) USER MOD Set 3.2: A 67 GLN : amide:sc= 1.02 K(o=0.98,f=-0.56) USER MOD Set 4.1: A 28 HIS : no HD1:sc= 1.03 K(o=2.3,f=-3.9!) USER MOD Set 4.2: A 40 SER OG : rot -110:sc= 1.26 USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= 1.19 (180deg=0.902) USER MOD Single : A 29 SER OG : rot 122:sc= 0.968 USER MOD Single : A 41 LYS NZ :NH3+ 136:sc= 2.07 (180deg=0.826) USER MOD Single : A 47 TYR OH : rot 179:sc= 0.0058 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0.716 K(o=0.72,f=-4.8!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -150:sc= 0.12 (180deg=0.001) USER MOD Single : A 61 SER OG : rot 143:sc= 1.64 USER MOD Single : A 65 GLN : amide:sc= 0.794 K(o=0.79,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 150:sc=0.000216 USER MOD Single : A 71 CYS SG : rot 70:sc= -1.25 USER MOD Single : A 73 CYS SG : rot 132:sc= 0.536 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 100:sc= 0.365 USER MOD Single : A 95 MET CE :methyl 175:sc= 0 (180deg=-0.0238) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.0607 X(o=-0.061,f=-0.061) USER MOD Single : A 106 THR OG1 : rot -149:sc= 0.0418 USER MOD Single : A 108 LYS NZ :NH3+ 150:sc= 1.41 (180deg=-0.179) USER MOD Single : A 110 LYS NZ :NH3+ 162:sc= 1.21 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 46 N ALA A 4 -7.292 -9.185 15.666 1.00 0.00 N ATOM 47 CA ALA A 4 -6.607 -9.274 14.382 1.00 0.00 C ATOM 48 C ALA A 4 -5.244 -9.971 14.530 1.00 0.00 C ATOM 49 O ALA A 4 -4.750 -10.197 15.636 1.00 0.00 O ATOM 50 CB ALA A 4 -6.436 -7.862 13.804 1.00 0.00 C ATOM 0 HA ALA A 4 -7.208 -9.874 13.699 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.924 -7.922 12.843 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.416 -7.404 13.665 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.847 -7.256 14.492 1.00 0.00 H new ATOM 56 N ASP A 5 -4.609 -10.250 13.396 1.00 0.00 N ATOM 57 CA ASP A 5 -3.230 -10.714 13.279 1.00 0.00 C ATOM 58 C ASP A 5 -2.729 -10.196 11.935 1.00 0.00 C ATOM 59 O ASP A 5 -3.529 -10.030 11.011 1.00 0.00 O ATOM 60 CB ASP A 5 -3.164 -12.246 13.315 1.00 0.00 C ATOM 61 CG ASP A 5 -1.726 -12.733 13.078 1.00 0.00 C ATOM 62 OD1 ASP A 5 -0.957 -12.842 14.058 1.00 0.00 O ATOM 63 OD2 ASP A 5 -1.359 -12.981 11.909 1.00 0.00 O ATOM 0 H ASP A 5 -5.065 -10.154 12.488 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.620 -10.351 14.106 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.522 -12.608 14.279 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -3.824 -12.661 12.554 1.00 0.00 H new ATOM 68 N LEU A 6 -1.428 -9.927 11.808 1.00 0.00 N ATOM 69 CA LEU A 6 -0.855 -9.313 10.617 1.00 0.00 C ATOM 70 C LEU A 6 -1.147 -10.108 9.341 1.00 0.00 C ATOM 71 O LEU A 6 -1.311 -9.499 8.282 1.00 0.00 O ATOM 72 CB LEU A 6 0.662 -9.138 10.793 1.00 0.00 C ATOM 73 CG LEU A 6 1.109 -8.224 11.952 1.00 0.00 C ATOM 74 CD1 LEU A 6 2.632 -8.070 11.922 1.00 0.00 C ATOM 75 CD2 LEU A 6 0.469 -6.833 11.892 1.00 0.00 C ATOM 0 H LEU A 6 -0.742 -10.132 12.535 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.330 -8.339 10.501 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.106 -10.122 10.941 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.072 -8.740 9.865 1.00 0.00 H new ATOM 0 HG LEU A 6 0.781 -8.699 12.877 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.949 -7.424 12.741 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.099 -9.049 12.031 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.934 -7.627 10.973 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.820 -6.234 12.732 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.746 -6.345 10.958 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.616 -6.929 11.943 1.00 0.00 H new ATOM 87 N ALA A 7 -1.245 -11.439 9.414 1.00 0.00 N ATOM 88 CA ALA A 7 -1.560 -12.269 8.261 1.00 0.00 C ATOM 89 C ALA A 7 -2.995 -12.048 7.761 1.00 0.00 C ATOM 90 O ALA A 7 -3.275 -12.289 6.586 1.00 0.00 O ATOM 91 CB ALA A 7 -1.348 -13.746 8.610 1.00 0.00 C ATOM 0 H ALA A 7 -1.107 -11.965 10.277 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.887 -11.979 7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.585 -14.362 7.743 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.309 -13.907 8.896 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.999 -14.021 9.440 1.00 0.00 H new ATOM 97 N LEU A 8 -3.907 -11.613 8.639 1.00 0.00 N ATOM 98 CA LEU A 8 -5.322 -11.438 8.321 1.00 0.00 C ATOM 99 C LEU A 8 -5.587 -10.070 7.691 1.00 0.00 C ATOM 100 O LEU A 8 -6.591 -9.919 6.992 1.00 0.00 O ATOM 101 CB LEU A 8 -6.185 -11.589 9.589 1.00 0.00 C ATOM 102 CG LEU A 8 -6.081 -12.956 10.295 1.00 0.00 C ATOM 103 CD1 LEU A 8 -6.907 -12.935 11.585 1.00 0.00 C ATOM 104 CD2 LEU A 8 -6.558 -14.111 9.406 1.00 0.00 C ATOM 0 H LEU A 8 -3.676 -11.370 9.602 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.591 -12.212 7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.902 -10.810 10.297 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.227 -11.414 9.323 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.028 -13.125 10.519 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.831 -13.902 12.081 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.528 -12.157 12.247 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.951 -12.731 11.346 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.464 -15.051 9.950 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.601 -13.953 9.132 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.948 -14.151 8.504 1.00 0.00 H new ATOM 116 N ILE A 9 -4.728 -9.072 7.935 1.00 0.00 N ATOM 117 CA ILE A 9 -4.915 -7.723 7.402 1.00 0.00 C ATOM 118 C ILE A 9 -4.813 -7.806 5.868 1.00 0.00 C ATOM 119 O ILE A 9 -3.810 -8.347 5.382 1.00 0.00 O ATOM 120 CB ILE A 9 -3.878 -6.731 7.980 1.00 0.00 C ATOM 121 CG1 ILE A 9 -3.902 -6.735 9.527 1.00 0.00 C ATOM 122 CG2 ILE A 9 -4.138 -5.306 7.451 1.00 0.00 C ATOM 123 CD1 ILE A 9 -2.824 -5.868 10.181 1.00 0.00 C ATOM 0 H ILE A 9 -3.889 -9.179 8.505 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.894 -7.343 7.695 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.890 -7.055 7.653 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.880 -6.391 9.863 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.787 -7.761 9.877 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.399 -4.622 7.868 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.063 -5.302 6.364 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.137 -4.985 7.746 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.915 -5.930 11.265 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.839 -6.223 9.879 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.949 -4.832 9.865 1.00 0.00 H new ATOM 135 N PRO A 10 -5.789 -7.254 5.114 1.00 0.00 N ATOM 136 CA PRO A 10 -5.736 -7.121 3.663 1.00 0.00 C ATOM 137 C PRO A 10 -4.375 -6.620 3.189 1.00 0.00 C ATOM 138 O PRO A 10 -3.960 -5.511 3.536 1.00 0.00 O ATOM 139 CB PRO A 10 -6.858 -6.145 3.303 1.00 0.00 C ATOM 140 CG PRO A 10 -7.904 -6.424 4.376 1.00 0.00 C ATOM 141 CD PRO A 10 -7.041 -6.688 5.607 1.00 0.00 C ATOM 0 HA PRO A 10 -5.871 -8.083 3.169 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.518 -5.110 3.329 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.247 -6.327 2.301 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.573 -5.576 4.522 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.527 -7.282 4.124 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.860 -5.766 6.160 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.538 -7.378 6.290 1.00 0.00 H new ATOM 149 N ASP A 11 -3.668 -7.436 2.410 1.00 0.00 N ATOM 150 CA ASP A 11 -2.271 -7.176 2.066 1.00 0.00 C ATOM 151 C ASP A 11 -2.155 -6.090 0.992 1.00 0.00 C ATOM 152 O ASP A 11 -1.287 -5.220 1.057 1.00 0.00 O ATOM 153 CB ASP A 11 -1.619 -8.487 1.614 1.00 0.00 C ATOM 154 CG ASP A 11 -0.116 -8.456 1.873 1.00 0.00 C ATOM 155 OD1 ASP A 11 0.274 -8.393 3.061 1.00 0.00 O ATOM 156 OD2 ASP A 11 0.681 -8.519 0.913 1.00 0.00 O ATOM 0 H ASP A 11 -4.044 -8.291 2.001 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.746 -6.801 2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.068 -9.325 2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.807 -8.646 0.552 1.00 0.00 H new ATOM 161 N VAL A 12 -3.116 -6.062 0.066 1.00 0.00 N ATOM 162 CA VAL A 12 -3.264 -5.057 -0.980 1.00 0.00 C ATOM 163 C VAL A 12 -4.758 -4.744 -1.042 1.00 0.00 C ATOM 164 O VAL A 12 -5.584 -5.659 -1.001 1.00 0.00 O ATOM 165 CB VAL A 12 -2.749 -5.593 -2.336 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.835 -4.530 -3.443 1.00 0.00 C ATOM 167 CG2 VAL A 12 -1.294 -6.075 -2.257 1.00 0.00 C ATOM 0 H VAL A 12 -3.845 -6.775 0.026 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.679 -4.163 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.398 -6.434 -2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.463 -4.948 -4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.872 -4.221 -3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.230 -3.666 -3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.979 -6.442 -3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.652 -5.247 -1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.216 -6.879 -1.525 1.00 0.00 H new ATOM 177 N ASP A 13 -5.103 -3.460 -1.129 1.00 0.00 N ATOM 178 CA ASP A 13 -6.459 -3.012 -1.412 1.00 0.00 C ATOM 179 C ASP A 13 -6.308 -1.642 -2.050 1.00 0.00 C ATOM 180 O ASP A 13 -5.858 -0.705 -1.390 1.00 0.00 O ATOM 181 CB ASP A 13 -7.335 -2.940 -0.150 1.00 0.00 C ATOM 182 CG ASP A 13 -8.813 -2.686 -0.507 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.279 -3.143 -1.576 1.00 0.00 O ATOM 184 OD2 ASP A 13 -9.547 -2.089 0.311 1.00 0.00 O ATOM 0 H ASP A 13 -4.439 -2.696 -1.003 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.967 -3.719 -2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.249 -3.872 0.409 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.974 -2.144 0.501 1.00 0.00 H new ATOM 189 N ILE A 14 -6.559 -1.557 -3.354 1.00 0.00 N ATOM 190 CA ILE A 14 -6.323 -0.369 -4.163 1.00 0.00 C ATOM 191 C ILE A 14 -7.488 -0.217 -5.154 1.00 0.00 C ATOM 192 O ILE A 14 -8.282 -1.145 -5.336 1.00 0.00 O ATOM 193 CB ILE A 14 -4.925 -0.420 -4.845 1.00 0.00 C ATOM 194 CG1 ILE A 14 -4.794 -1.559 -5.881 1.00 0.00 C ATOM 195 CG2 ILE A 14 -3.782 -0.481 -3.812 1.00 0.00 C ATOM 196 CD1 ILE A 14 -3.396 -1.738 -6.493 1.00 0.00 C ATOM 0 H ILE A 14 -6.943 -2.335 -3.890 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.297 0.522 -3.536 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.834 0.516 -5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.086 -2.495 -5.405 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.504 -1.377 -6.688 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.824 -0.515 -4.331 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.819 0.404 -3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.894 -1.374 -3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.414 -2.562 -7.206 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.103 -0.821 -7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.678 -1.957 -5.703 1.00 0.00 H new ATOM 266 N PHE A 20 -3.922 6.543 -9.698 1.00 0.00 N ATOM 267 CA PHE A 20 -4.113 7.077 -8.347 1.00 0.00 C ATOM 268 C PHE A 20 -2.785 7.090 -7.590 1.00 0.00 C ATOM 269 O PHE A 20 -1.854 6.360 -7.943 1.00 0.00 O ATOM 270 CB PHE A 20 -5.143 6.236 -7.571 1.00 0.00 C ATOM 271 CG PHE A 20 -4.918 4.733 -7.628 1.00 0.00 C ATOM 272 CD1 PHE A 20 -4.036 4.097 -6.735 1.00 0.00 C ATOM 273 CD2 PHE A 20 -5.571 3.966 -8.610 1.00 0.00 C ATOM 274 CE1 PHE A 20 -3.811 2.713 -6.822 1.00 0.00 C ATOM 275 CE2 PHE A 20 -5.332 2.585 -8.712 1.00 0.00 C ATOM 276 CZ PHE A 20 -4.450 1.956 -7.819 1.00 0.00 C ATOM 0 HA PHE A 20 -4.486 8.097 -8.434 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.134 6.550 -6.527 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.137 6.455 -7.962 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.529 4.677 -5.978 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.261 4.442 -9.291 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.146 2.230 -6.122 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.827 2.007 -9.478 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.263 0.895 -7.898 1.00 0.00 H new ATOM 286 N LYS A 21 -2.699 7.908 -6.535 1.00 0.00 N ATOM 287 CA LYS A 21 -1.588 7.873 -5.592 1.00 0.00 C ATOM 288 C LYS A 21 -1.823 6.716 -4.621 1.00 0.00 C ATOM 289 O LYS A 21 -2.971 6.367 -4.333 1.00 0.00 O ATOM 290 CB LYS A 21 -1.487 9.191 -4.810 1.00 0.00 C ATOM 291 CG LYS A 21 -0.888 10.382 -5.578 1.00 0.00 C ATOM 292 CD LYS A 21 -1.869 11.063 -6.547 1.00 0.00 C ATOM 293 CE LYS A 21 -1.286 12.331 -7.196 1.00 0.00 C ATOM 294 NZ LYS A 21 -0.983 13.405 -6.215 1.00 0.00 N ATOM 0 H LYS A 21 -3.403 8.613 -6.315 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.655 7.735 -6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.485 9.467 -4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.884 9.017 -3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.532 11.121 -4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.019 10.038 -6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.149 10.357 -7.329 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.781 11.322 -6.010 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.374 12.070 -7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.992 12.711 -7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.040 14.331 -6.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.672 13.369 -5.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.025 13.268 -5.835 1.00 0.00 H new ATOM 308 N TYR A 22 -0.749 6.144 -4.085 1.00 0.00 N ATOM 309 CA TYR A 22 -0.784 5.008 -3.177 1.00 0.00 C ATOM 310 C TYR A 22 0.306 5.206 -2.105 1.00 0.00 C ATOM 311 O TYR A 22 1.271 5.938 -2.340 1.00 0.00 O ATOM 312 CB TYR A 22 -0.623 3.703 -3.996 1.00 0.00 C ATOM 313 CG TYR A 22 0.745 3.085 -3.862 1.00 0.00 C ATOM 314 CD1 TYR A 22 0.972 2.171 -2.819 1.00 0.00 C ATOM 315 CD2 TYR A 22 1.813 3.563 -4.638 1.00 0.00 C ATOM 316 CE1 TYR A 22 2.282 1.818 -2.472 1.00 0.00 C ATOM 317 CE2 TYR A 22 3.126 3.197 -4.309 1.00 0.00 C ATOM 318 CZ TYR A 22 3.361 2.366 -3.193 1.00 0.00 C ATOM 319 OH TYR A 22 4.630 2.125 -2.784 1.00 0.00 O ATOM 0 H TYR A 22 0.198 6.470 -4.278 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.738 4.932 -2.655 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.374 2.983 -3.671 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.818 3.915 -5.047 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.137 1.741 -2.286 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.624 4.209 -5.483 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.464 1.131 -1.658 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.953 3.549 -4.907 1.00 0.00 H new ATOM 0 HH TYR A 22 4.837 2.689 -2.010 1.00 0.00 H new ATOM 329 N VAL A 23 0.191 4.544 -0.951 1.00 0.00 N ATOM 330 CA VAL A 23 1.203 4.531 0.105 1.00 0.00 C ATOM 331 C VAL A 23 1.524 3.091 0.503 1.00 0.00 C ATOM 332 O VAL A 23 0.690 2.186 0.371 1.00 0.00 O ATOM 333 CB VAL A 23 0.787 5.374 1.331 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.755 6.872 1.007 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.558 4.931 1.927 1.00 0.00 C ATOM 0 H VAL A 23 -0.632 3.987 -0.720 1.00 0.00 H new ATOM 0 HA VAL A 23 2.104 4.996 -0.294 1.00 0.00 H new ATOM 0 HB VAL A 23 1.554 5.199 2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.458 7.430 1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.746 7.197 0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.038 7.056 0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.800 5.558 2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.340 5.030 1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.490 3.891 2.245 1.00 0.00 H new ATOM 345 N LEU A 24 2.739 2.903 1.017 1.00 0.00 N ATOM 346 CA LEU A 24 3.262 1.637 1.501 1.00 0.00 C ATOM 347 C LEU A 24 3.356 1.814 3.010 1.00 0.00 C ATOM 348 O LEU A 24 4.126 2.665 3.463 1.00 0.00 O ATOM 349 CB LEU A 24 4.646 1.408 0.854 1.00 0.00 C ATOM 350 CG LEU A 24 5.207 -0.025 0.876 1.00 0.00 C ATOM 351 CD1 LEU A 24 5.346 -0.591 2.287 1.00 0.00 C ATOM 352 CD2 LEU A 24 4.358 -0.969 0.023 1.00 0.00 C ATOM 0 H LEU A 24 3.410 3.665 1.109 1.00 0.00 H new ATOM 0 HA LEU A 24 2.646 0.772 1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.590 1.733 -0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.364 2.059 1.353 1.00 0.00 H new ATOM 0 HG LEU A 24 6.208 0.044 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.746 -1.603 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.023 0.037 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.368 -0.612 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.781 -1.973 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.339 -0.991 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.348 -0.617 -1.009 1.00 0.00 H new ATOM 364 N ILE A 25 2.576 1.069 3.794 1.00 0.00 N ATOM 365 CA ILE A 25 2.487 1.284 5.237 1.00 0.00 C ATOM 366 C ILE A 25 2.980 0.021 5.928 1.00 0.00 C ATOM 367 O ILE A 25 2.457 -1.064 5.684 1.00 0.00 O ATOM 368 CB ILE A 25 1.063 1.692 5.698 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.358 2.687 4.745 1.00 0.00 C ATOM 370 CG2 ILE A 25 1.149 2.295 7.111 1.00 0.00 C ATOM 371 CD1 ILE A 25 -1.036 3.121 5.227 1.00 0.00 C ATOM 0 H ILE A 25 1.993 0.306 3.450 1.00 0.00 H new ATOM 0 HA ILE A 25 3.117 2.128 5.516 1.00 0.00 H new ATOM 0 HB ILE A 25 0.455 0.787 5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.984 3.571 4.629 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.266 2.230 3.760 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.152 2.585 7.444 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.560 1.555 7.798 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.795 3.172 7.093 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.469 3.818 4.509 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.679 2.245 5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.950 3.608 6.198 1.00 0.00 H new ATOM 383 N ARG A 26 4.010 0.156 6.761 1.00 0.00 N ATOM 384 CA ARG A 26 4.451 -0.900 7.658 1.00 0.00 C ATOM 385 C ARG A 26 3.437 -1.007 8.785 1.00 0.00 C ATOM 386 O ARG A 26 2.888 0.006 9.213 1.00 0.00 O ATOM 387 CB ARG A 26 5.853 -0.565 8.188 1.00 0.00 C ATOM 388 CG ARG A 26 6.391 -1.626 9.165 1.00 0.00 C ATOM 389 CD ARG A 26 7.917 -1.578 9.277 1.00 0.00 C ATOM 390 NE ARG A 26 8.538 -2.189 8.094 1.00 0.00 N ATOM 391 CZ ARG A 26 9.789 -2.049 7.656 1.00 0.00 C ATOM 392 NH1 ARG A 26 10.653 -1.234 8.257 1.00 0.00 N ATOM 393 NH2 ARG A 26 10.138 -2.758 6.592 1.00 0.00 N ATOM 0 H ARG A 26 4.564 1.010 6.830 1.00 0.00 H new ATOM 0 HA ARG A 26 4.514 -1.858 7.143 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.541 -0.470 7.348 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.825 0.403 8.689 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.950 -1.470 10.149 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.083 -2.617 8.831 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.248 -0.544 9.376 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.238 -2.103 10.176 1.00 0.00 H new ATOM 0 HE ARG A 26 7.936 -2.797 7.538 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.364 -0.697 9.075 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.604 -1.146 7.900 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.460 -3.376 6.146 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.084 -2.685 6.219 1.00 0.00 H new ATOM 407 N VAL A 27 3.254 -2.214 9.299 1.00 0.00 N ATOM 408 CA VAL A 27 2.375 -2.553 10.400 1.00 0.00 C ATOM 409 C VAL A 27 3.218 -3.428 11.333 1.00 0.00 C ATOM 410 O VAL A 27 4.060 -4.194 10.855 1.00 0.00 O ATOM 411 CB VAL A 27 1.132 -3.307 9.867 1.00 0.00 C ATOM 412 CG1 VAL A 27 0.041 -3.374 10.943 1.00 0.00 C ATOM 413 CG2 VAL A 27 0.515 -2.691 8.597 1.00 0.00 C ATOM 0 H VAL A 27 3.746 -3.029 8.934 1.00 0.00 H new ATOM 0 HA VAL A 27 1.998 -1.676 10.927 1.00 0.00 H new ATOM 0 HB VAL A 27 1.496 -4.301 9.606 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.825 -3.907 10.551 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.425 -3.899 11.818 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.253 -2.363 11.226 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.350 -3.279 8.291 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.203 -1.667 8.804 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.255 -2.690 7.797 1.00 0.00 H new ATOM 423 N HIS A 28 2.993 -3.348 12.642 1.00 0.00 N ATOM 424 CA HIS A 28 3.685 -4.144 13.653 1.00 0.00 C ATOM 425 C HIS A 28 2.640 -4.878 14.494 1.00 0.00 C ATOM 426 O HIS A 28 1.507 -4.397 14.615 1.00 0.00 O ATOM 427 CB HIS A 28 4.514 -3.224 14.558 1.00 0.00 C ATOM 428 CG HIS A 28 5.504 -2.355 13.825 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.717 -2.754 13.316 1.00 0.00 N ATOM 430 CD2 HIS A 28 5.384 -1.013 13.580 1.00 0.00 C ATOM 431 CE1 HIS A 28 7.327 -1.673 12.804 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.549 -0.581 12.931 1.00 0.00 N ATOM 0 H HIS A 28 2.305 -2.709 13.040 1.00 0.00 H new ATOM 0 HA HIS A 28 4.350 -4.860 13.170 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.836 -2.584 15.123 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.052 -3.836 15.282 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.538 -0.394 13.842 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.308 -1.678 12.352 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.763 0.366 12.619 1.00 0.00 H new ATOM 440 N SER A 29 3.009 -6.014 15.092 1.00 0.00 N ATOM 441 CA SER A 29 2.139 -6.800 15.958 1.00 0.00 C ATOM 442 C SER A 29 1.751 -6.028 17.230 1.00 0.00 C ATOM 443 O SER A 29 2.412 -6.129 18.265 1.00 0.00 O ATOM 444 CB SER A 29 2.793 -8.138 16.318 1.00 0.00 C ATOM 445 OG SER A 29 3.153 -8.881 15.169 1.00 0.00 O ATOM 0 H SER A 29 3.940 -6.417 14.983 1.00 0.00 H new ATOM 0 HA SER A 29 1.223 -7.000 15.402 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.681 -7.956 16.924 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.106 -8.724 16.928 1.00 0.00 H new ATOM 0 HG SER A 29 4.117 -9.058 15.183 1.00 0.00 H new ATOM 451 N ALA A 30 0.663 -5.261 17.151 1.00 0.00 N ATOM 452 CA ALA A 30 -0.002 -4.628 18.278 1.00 0.00 C ATOM 453 C ALA A 30 -1.542 -4.752 18.200 1.00 0.00 C ATOM 454 O ALA A 30 -2.204 -3.794 18.597 1.00 0.00 O ATOM 455 CB ALA A 30 0.482 -3.171 18.387 1.00 0.00 C ATOM 0 H ALA A 30 0.207 -5.059 16.261 1.00 0.00 H new ATOM 0 HA ALA A 30 0.270 -5.151 19.195 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.011 -2.686 19.230 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.561 -3.157 18.540 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.239 -2.637 17.468 1.00 0.00 H new ATOM 461 N PRO A 31 -2.172 -5.847 17.700 1.00 0.00 N ATOM 462 CA PRO A 31 -3.620 -6.015 17.836 1.00 0.00 C ATOM 463 C PRO A 31 -4.103 -5.705 19.259 1.00 0.00 C ATOM 464 O PRO A 31 -3.421 -6.021 20.236 1.00 0.00 O ATOM 465 CB PRO A 31 -3.934 -7.461 17.447 1.00 0.00 C ATOM 466 CG PRO A 31 -2.794 -7.833 16.511 1.00 0.00 C ATOM 467 CD PRO A 31 -1.615 -7.026 17.041 1.00 0.00 C ATOM 0 HA PRO A 31 -4.144 -5.313 17.188 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.966 -8.113 18.320 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.902 -7.542 16.953 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.590 -8.903 16.534 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.024 -7.575 15.477 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.025 -7.618 17.741 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.949 -6.736 16.229 1.00 0.00 H new ATOM 561 N GLU A 39 6.112 -9.306 15.425 1.00 0.00 N ATOM 562 CA GLU A 39 6.441 -9.329 14.010 1.00 0.00 C ATOM 563 C GLU A 39 6.089 -7.971 13.377 1.00 0.00 C ATOM 564 O GLU A 39 5.536 -7.078 14.033 1.00 0.00 O ATOM 565 CB GLU A 39 5.686 -10.484 13.320 1.00 0.00 C ATOM 566 CG GLU A 39 5.909 -11.868 13.954 1.00 0.00 C ATOM 567 CD GLU A 39 7.396 -12.263 14.040 1.00 0.00 C ATOM 568 OE1 GLU A 39 8.061 -12.393 12.987 1.00 0.00 O ATOM 569 OE2 GLU A 39 7.907 -12.483 15.161 1.00 0.00 O ATOM 0 HA GLU A 39 7.510 -9.498 13.879 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.619 -10.261 13.333 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.990 -10.525 12.274 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.479 -11.875 14.956 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.373 -12.618 13.372 1.00 0.00 H new ATOM 576 N SER A 40 6.375 -7.839 12.079 1.00 0.00 N ATOM 577 CA SER A 40 5.985 -6.703 11.257 1.00 0.00 C ATOM 578 C SER A 40 5.563 -7.209 9.871 1.00 0.00 C ATOM 579 O SER A 40 5.907 -8.325 9.468 1.00 0.00 O ATOM 580 CB SER A 40 7.125 -5.680 11.150 1.00 0.00 C ATOM 581 OG SER A 40 7.678 -5.330 12.412 1.00 0.00 O ATOM 0 H SER A 40 6.900 -8.543 11.561 1.00 0.00 H new ATOM 0 HA SER A 40 5.142 -6.194 11.725 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.912 -6.087 10.515 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.753 -4.780 10.660 1.00 0.00 H new ATOM 0 HG SER A 40 7.438 -4.405 12.629 1.00 0.00 H new ATOM 587 N LYS A 41 4.792 -6.391 9.158 1.00 0.00 N ATOM 588 CA LYS A 41 4.146 -6.667 7.873 1.00 0.00 C ATOM 589 C LYS A 41 4.056 -5.325 7.144 1.00 0.00 C ATOM 590 O LYS A 41 4.321 -4.281 7.739 1.00 0.00 O ATOM 591 CB LYS A 41 2.775 -7.317 8.175 1.00 0.00 C ATOM 592 CG LYS A 41 1.843 -7.690 6.998 1.00 0.00 C ATOM 593 CD LYS A 41 0.540 -6.870 7.038 1.00 0.00 C ATOM 594 CE LYS A 41 -0.420 -7.098 5.856 1.00 0.00 C ATOM 595 NZ LYS A 41 -0.871 -8.498 5.684 1.00 0.00 N ATOM 0 H LYS A 41 4.586 -5.447 9.486 1.00 0.00 H new ATOM 0 HA LYS A 41 4.688 -7.362 7.231 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.961 -8.226 8.747 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.226 -6.637 8.826 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.358 -7.514 6.053 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.608 -8.754 7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.012 -7.103 7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.798 -5.812 7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.296 -6.463 5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.072 -6.774 4.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.893 -8.512 5.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.364 -8.930 4.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.673 -9.036 6.552 1.00 0.00 H new ATOM 609 N GLU A 42 3.668 -5.313 5.876 1.00 0.00 N ATOM 610 CA GLU A 42 3.441 -4.096 5.114 1.00 0.00 C ATOM 611 C GLU A 42 2.126 -4.265 4.354 1.00 0.00 C ATOM 612 O GLU A 42 1.757 -5.394 4.013 1.00 0.00 O ATOM 613 CB GLU A 42 4.606 -3.822 4.143 1.00 0.00 C ATOM 614 CG GLU A 42 5.928 -3.348 4.774 1.00 0.00 C ATOM 615 CD GLU A 42 6.810 -4.437 5.419 1.00 0.00 C ATOM 616 OE1 GLU A 42 6.688 -5.642 5.098 1.00 0.00 O ATOM 617 OE2 GLU A 42 7.701 -4.057 6.212 1.00 0.00 O ATOM 0 H GLU A 42 3.500 -6.164 5.340 1.00 0.00 H new ATOM 0 HA GLU A 42 3.384 -3.239 5.785 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.804 -4.735 3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.282 -3.069 3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.514 -2.846 4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.696 -2.602 5.534 1.00 0.00 H new ATOM 624 N ILE A 43 1.447 -3.157 4.062 1.00 0.00 N ATOM 625 CA ILE A 43 0.214 -3.100 3.286 1.00 0.00 C ATOM 626 C ILE A 43 0.352 -2.040 2.191 1.00 0.00 C ATOM 627 O ILE A 43 1.115 -1.079 2.332 1.00 0.00 O ATOM 628 CB ILE A 43 -1.024 -2.836 4.185 1.00 0.00 C ATOM 629 CG1 ILE A 43 -0.928 -1.565 5.060 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.310 -4.072 5.043 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.220 -1.203 5.817 1.00 0.00 C ATOM 0 H ILE A 43 1.756 -2.236 4.374 1.00 0.00 H new ATOM 0 HA ILE A 43 0.051 -4.071 2.819 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.856 -2.644 3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.125 -1.699 5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.648 -0.724 4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.179 -3.884 5.673 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.509 -4.926 4.396 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.446 -4.286 5.672 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.057 -0.299 6.403 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.025 -1.032 5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.494 -2.022 6.482 1.00 0.00 H new ATOM 643 N VAL A 44 -0.425 -2.213 1.122 1.00 0.00 N ATOM 644 CA VAL A 44 -0.454 -1.340 -0.047 1.00 0.00 C ATOM 645 C VAL A 44 -1.875 -0.780 -0.121 1.00 0.00 C ATOM 646 O VAL A 44 -2.828 -1.564 -0.217 1.00 0.00 O ATOM 647 CB VAL A 44 -0.095 -2.163 -1.307 1.00 0.00 C ATOM 648 CG1 VAL A 44 -0.017 -1.294 -2.568 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.233 -2.925 -1.181 1.00 0.00 C ATOM 0 H VAL A 44 -1.075 -2.995 1.045 1.00 0.00 H new ATOM 0 HA VAL A 44 0.268 -0.526 0.019 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.910 -2.882 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.238 -1.918 -3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.981 -0.816 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.748 -0.529 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.422 -3.480 -2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.044 -2.217 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.176 -3.619 -0.343 1.00 0.00 H new ATOM 659 N ARG A 45 -2.028 0.548 -0.054 1.00 0.00 N ATOM 660 CA ARG A 45 -3.311 1.260 -0.130 1.00 0.00 C ATOM 661 C ARG A 45 -3.175 2.342 -1.190 1.00 0.00 C ATOM 662 O ARG A 45 -2.110 2.950 -1.263 1.00 0.00 O ATOM 663 CB ARG A 45 -3.629 1.972 1.201 1.00 0.00 C ATOM 664 CG ARG A 45 -3.778 1.104 2.455 1.00 0.00 C ATOM 665 CD ARG A 45 -4.995 0.163 2.437 1.00 0.00 C ATOM 666 NE ARG A 45 -4.643 -1.134 1.852 1.00 0.00 N ATOM 667 CZ ARG A 45 -4.534 -2.305 2.485 1.00 0.00 C ATOM 668 NH1 ARG A 45 -5.020 -2.510 3.706 1.00 0.00 N ATOM 669 NH2 ARG A 45 -3.887 -3.284 1.877 1.00 0.00 N ATOM 0 H ARG A 45 -1.235 1.179 0.059 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.100 0.542 -0.357 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.840 2.700 1.389 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.555 2.532 1.069 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.874 0.507 2.578 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.851 1.755 3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.365 0.020 3.452 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.803 0.618 1.864 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.461 -1.143 0.848 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.499 -1.756 4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.913 -3.422 4.151 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.488 -3.133 0.950 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.787 -4.190 2.334 1.00 0.00 H new ATOM 683 N GLY A 46 -4.221 2.651 -1.953 1.00 0.00 N ATOM 684 CA GLY A 46 -4.187 3.755 -2.903 1.00 0.00 C ATOM 685 C GLY A 46 -5.476 3.838 -3.689 1.00 0.00 C ATOM 686 O GLY A 46 -5.961 2.816 -4.177 1.00 0.00 O ATOM 0 H GLY A 46 -5.107 2.147 -1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.021 4.692 -2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.348 3.624 -3.587 1.00 0.00 H new ATOM 690 N TYR A 47 -6.035 5.043 -3.800 1.00 0.00 N ATOM 691 CA TYR A 47 -7.355 5.248 -4.386 1.00 0.00 C ATOM 692 C TYR A 47 -7.448 6.662 -4.942 1.00 0.00 C ATOM 693 O TYR A 47 -6.736 7.556 -4.479 1.00 0.00 O ATOM 694 CB TYR A 47 -8.461 5.066 -3.331 1.00 0.00 C ATOM 695 CG TYR A 47 -8.302 3.899 -2.375 1.00 0.00 C ATOM 696 CD1 TYR A 47 -7.545 4.077 -1.203 1.00 0.00 C ATOM 697 CD2 TYR A 47 -8.921 2.660 -2.632 1.00 0.00 C ATOM 698 CE1 TYR A 47 -7.446 3.045 -0.256 1.00 0.00 C ATOM 699 CE2 TYR A 47 -8.819 1.617 -1.694 1.00 0.00 C ATOM 700 CZ TYR A 47 -8.105 1.816 -0.490 1.00 0.00 C ATOM 701 OH TYR A 47 -8.095 0.839 0.458 1.00 0.00 O ATOM 0 H TYR A 47 -5.584 5.902 -3.486 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.493 4.512 -5.178 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.525 5.982 -2.743 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.412 4.954 -3.851 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.036 5.014 -1.030 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.473 2.511 -3.548 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.870 3.189 0.646 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.286 0.664 -1.893 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.610 0.068 0.139 1.00 0.00 H new ATOM 711 N LYS A 48 -8.367 6.885 -5.888 1.00 0.00 N ATOM 712 CA LYS A 48 -8.541 8.194 -6.522 1.00 0.00 C ATOM 713 C LYS A 48 -8.871 9.284 -5.498 1.00 0.00 C ATOM 714 O LYS A 48 -8.443 10.424 -5.676 1.00 0.00 O ATOM 715 CB LYS A 48 -9.635 8.153 -7.605 1.00 0.00 C ATOM 716 CG LYS A 48 -9.426 7.076 -8.684 1.00 0.00 C ATOM 717 CD LYS A 48 -10.383 7.319 -9.863 1.00 0.00 C ATOM 718 CE LYS A 48 -10.398 6.168 -10.881 1.00 0.00 C ATOM 719 NZ LYS A 48 -11.281 5.051 -10.472 1.00 0.00 N ATOM 0 H LYS A 48 -9.006 6.169 -6.233 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.589 8.440 -6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.598 7.985 -7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.686 9.128 -8.089 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.394 7.095 -9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.601 6.087 -8.261 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.392 7.468 -9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.096 8.240 -10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.726 6.549 -11.848 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.383 5.793 -11.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.253 4.304 -11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.955 4.666 -9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.256 5.398 -10.371 1.00 0.00 H new ATOM 733 N TRP A 49 -9.626 8.954 -4.440 1.00 0.00 N ATOM 734 CA TRP A 49 -10.031 9.934 -3.437 1.00 0.00 C ATOM 735 C TRP A 49 -8.837 10.491 -2.651 1.00 0.00 C ATOM 736 O TRP A 49 -8.873 11.659 -2.259 1.00 0.00 O ATOM 737 CB TRP A 49 -11.138 9.375 -2.524 1.00 0.00 C ATOM 738 CG TRP A 49 -11.005 7.982 -1.967 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.715 6.908 -2.382 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.199 7.495 -0.846 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.418 5.810 -1.601 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.493 6.115 -0.626 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.255 8.081 0.019 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.879 5.366 0.393 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.590 7.327 1.003 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.890 5.967 1.187 1.00 0.00 C ATOM 0 H TRP A 49 -9.967 8.009 -4.262 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.458 10.785 -3.967 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.240 10.056 -1.679 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.074 9.416 -3.082 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.413 6.910 -3.206 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.832 4.887 -1.729 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.036 9.134 -0.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.165 4.339 0.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.842 7.798 1.623 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.364 5.389 1.933 1.00 0.00 H new ATOM 757 N ALA A 50 -7.768 9.711 -2.449 1.00 0.00 N ATOM 758 CA ALA A 50 -6.554 10.190 -1.806 1.00 0.00 C ATOM 759 C ALA A 50 -5.662 10.869 -2.844 1.00 0.00 C ATOM 760 O ALA A 50 -4.654 10.318 -3.287 1.00 0.00 O ATOM 761 CB ALA A 50 -5.834 9.067 -1.068 1.00 0.00 C ATOM 0 H ALA A 50 -7.728 8.731 -2.729 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.817 10.928 -1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.932 9.460 -0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.491 8.655 -0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.564 8.282 -1.774 1.00 0.00 H new ATOM 767 N GLU A 51 -6.050 12.077 -3.249 1.00 0.00 N ATOM 768 CA GLU A 51 -5.267 12.904 -4.160 1.00 0.00 C ATOM 769 C GLU A 51 -3.911 13.309 -3.537 1.00 0.00 C ATOM 770 O GLU A 51 -2.991 13.680 -4.268 1.00 0.00 O ATOM 771 CB GLU A 51 -6.125 14.118 -4.558 1.00 0.00 C ATOM 772 CG GLU A 51 -5.506 14.979 -5.668 1.00 0.00 C ATOM 773 CD GLU A 51 -6.485 16.064 -6.153 1.00 0.00 C ATOM 774 OE1 GLU A 51 -6.514 17.172 -5.571 1.00 0.00 O ATOM 775 OE2 GLU A 51 -7.223 15.831 -7.138 1.00 0.00 O ATOM 0 H GLU A 51 -6.924 12.511 -2.951 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.013 12.340 -5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.103 13.767 -4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.288 14.740 -3.678 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.594 15.449 -5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.221 14.344 -6.507 1.00 0.00 H new ATOM 782 N TYR A 52 -3.761 13.195 -2.211 1.00 0.00 N ATOM 783 CA TYR A 52 -2.550 13.499 -1.451 1.00 0.00 C ATOM 784 C TYR A 52 -2.218 12.284 -0.584 1.00 0.00 C ATOM 785 O TYR A 52 -3.127 11.597 -0.103 1.00 0.00 O ATOM 786 CB TYR A 52 -2.700 14.781 -0.610 1.00 0.00 C ATOM 787 CG TYR A 52 -4.097 15.151 -0.145 1.00 0.00 C ATOM 788 CD1 TYR A 52 -4.997 15.726 -1.060 1.00 0.00 C ATOM 789 CD2 TYR A 52 -4.483 14.966 1.195 1.00 0.00 C ATOM 790 CE1 TYR A 52 -6.293 16.089 -0.654 1.00 0.00 C ATOM 791 CE2 TYR A 52 -5.774 15.334 1.615 1.00 0.00 C ATOM 792 CZ TYR A 52 -6.689 15.891 0.691 1.00 0.00 C ATOM 793 OH TYR A 52 -7.939 16.239 1.109 1.00 0.00 O ATOM 0 H TYR A 52 -4.521 12.872 -1.613 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.728 13.697 -2.139 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.067 14.682 0.272 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.307 15.614 -1.193 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.690 15.890 -2.082 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.787 14.541 1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.984 16.517 -1.365 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.067 15.191 2.645 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.035 16.031 2.062 1.00 0.00 H new ATOM 803 N HIS A 53 -0.930 11.993 -0.398 1.00 0.00 N ATOM 804 CA HIS A 53 -0.490 10.746 0.221 1.00 0.00 C ATOM 805 C HIS A 53 -0.867 10.681 1.699 1.00 0.00 C ATOM 806 O HIS A 53 -1.237 9.606 2.181 1.00 0.00 O ATOM 807 CB HIS A 53 1.019 10.566 0.034 1.00 0.00 C ATOM 808 CG HIS A 53 1.404 10.297 -1.400 1.00 0.00 C ATOM 809 ND1 HIS A 53 1.854 11.230 -2.340 1.00 0.00 N ATOM 810 CD2 HIS A 53 1.369 9.071 -1.988 1.00 0.00 C ATOM 811 CE1 HIS A 53 2.096 10.538 -3.463 1.00 0.00 C ATOM 812 NE2 HIS A 53 1.808 9.242 -3.276 1.00 0.00 N ATOM 0 H HIS A 53 -0.167 12.613 -0.671 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.007 9.926 -0.278 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.533 11.463 0.381 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.362 9.741 0.658 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.057 8.144 -1.530 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.468 10.963 -4.384 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.900 8.505 -3.976 1.00 0.00 H new ATOM 820 N ALA A 54 -0.845 11.814 2.409 1.00 0.00 N ATOM 821 CA ALA A 54 -1.305 11.879 3.789 1.00 0.00 C ATOM 822 C ALA A 54 -2.736 11.361 3.959 1.00 0.00 C ATOM 823 O ALA A 54 -3.055 10.867 5.039 1.00 0.00 O ATOM 824 CB ALA A 54 -1.214 13.313 4.322 1.00 0.00 C ATOM 0 H ALA A 54 -0.509 12.704 2.041 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.647 11.228 4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.562 13.340 5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.179 13.652 4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.836 13.968 3.712 1.00 0.00 H new ATOM 830 N ASP A 55 -3.601 11.468 2.940 1.00 0.00 N ATOM 831 CA ASP A 55 -5.017 11.142 3.111 1.00 0.00 C ATOM 832 C ASP A 55 -5.217 9.652 3.382 1.00 0.00 C ATOM 833 O ASP A 55 -5.864 9.283 4.362 1.00 0.00 O ATOM 834 CB ASP A 55 -5.840 11.553 1.888 1.00 0.00 C ATOM 835 CG ASP A 55 -7.336 11.549 2.239 1.00 0.00 C ATOM 836 OD1 ASP A 55 -7.772 12.399 3.050 1.00 0.00 O ATOM 837 OD2 ASP A 55 -8.082 10.713 1.692 1.00 0.00 O ATOM 0 H ASP A 55 -3.346 11.774 2.001 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.367 11.708 3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.539 12.546 1.553 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.649 10.867 1.063 1.00 0.00 H new ATOM 842 N ILE A 56 -4.611 8.792 2.552 1.00 0.00 N ATOM 843 CA ILE A 56 -4.652 7.343 2.740 1.00 0.00 C ATOM 844 C ILE A 56 -3.907 6.955 4.007 1.00 0.00 C ATOM 845 O ILE A 56 -4.385 6.089 4.738 1.00 0.00 O ATOM 846 CB ILE A 56 -4.098 6.532 1.534 1.00 0.00 C ATOM 847 CG1 ILE A 56 -3.076 7.278 0.636 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.274 5.895 0.783 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.832 6.639 -0.736 1.00 0.00 C ATOM 0 H ILE A 56 -4.080 9.086 1.732 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.707 7.084 2.825 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.468 5.736 1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.424 8.300 0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.126 7.339 1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.897 5.323 -0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.818 5.231 1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.944 6.677 0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.104 7.232 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.450 5.627 -0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.769 6.603 -1.292 1.00 0.00 H new ATOM 861 N TYR A 57 -2.753 7.574 4.272 1.00 0.00 N ATOM 862 CA TYR A 57 -1.962 7.207 5.431 1.00 0.00 C ATOM 863 C TYR A 57 -2.750 7.474 6.715 1.00 0.00 C ATOM 864 O TYR A 57 -2.871 6.575 7.543 1.00 0.00 O ATOM 865 CB TYR A 57 -0.621 7.954 5.412 1.00 0.00 C ATOM 866 CG TYR A 57 0.202 7.736 6.667 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.510 6.428 7.084 1.00 0.00 C ATOM 868 CD2 TYR A 57 0.615 8.833 7.447 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.200 6.207 8.286 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.325 8.623 8.642 1.00 0.00 C ATOM 871 CZ TYR A 57 1.608 7.308 9.076 1.00 0.00 C ATOM 872 OH TYR A 57 2.255 7.121 10.262 1.00 0.00 O ATOM 0 H TYR A 57 -2.356 8.322 3.703 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.744 6.140 5.399 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.044 7.630 4.546 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.808 9.021 5.289 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.213 5.587 6.474 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.386 9.839 7.126 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.419 5.199 8.607 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.655 9.467 9.229 1.00 0.00 H new ATOM 0 HH TYR A 57 2.458 7.991 10.664 1.00 0.00 H new ATOM 882 N ASP A 58 -3.340 8.663 6.868 1.00 0.00 N ATOM 883 CA ASP A 58 -4.112 9.003 8.059 1.00 0.00 C ATOM 884 C ASP A 58 -5.346 8.110 8.190 1.00 0.00 C ATOM 885 O ASP A 58 -5.605 7.572 9.268 1.00 0.00 O ATOM 886 CB ASP A 58 -4.535 10.474 8.027 1.00 0.00 C ATOM 887 CG ASP A 58 -5.392 10.812 9.258 1.00 0.00 C ATOM 888 OD1 ASP A 58 -4.830 10.965 10.366 1.00 0.00 O ATOM 889 OD2 ASP A 58 -6.628 10.950 9.122 1.00 0.00 O ATOM 0 H ASP A 58 -3.295 9.409 6.174 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.472 8.837 8.926 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.652 11.113 8.004 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.099 10.677 7.117 1.00 0.00 H new ATOM 894 N LYS A 59 -6.080 7.908 7.089 1.00 0.00 N ATOM 895 CA LYS A 59 -7.275 7.069 7.059 1.00 0.00 C ATOM 896 C LYS A 59 -6.954 5.652 7.520 1.00 0.00 C ATOM 897 O LYS A 59 -7.589 5.139 8.445 1.00 0.00 O ATOM 898 CB LYS A 59 -7.861 7.107 5.636 1.00 0.00 C ATOM 899 CG LYS A 59 -8.984 6.088 5.370 1.00 0.00 C ATOM 900 CD LYS A 59 -10.051 6.709 4.461 1.00 0.00 C ATOM 901 CE LYS A 59 -11.071 5.659 4.002 1.00 0.00 C ATOM 902 NZ LYS A 59 -12.047 6.219 3.035 1.00 0.00 N ATOM 0 H LYS A 59 -5.855 8.328 6.187 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.023 7.451 7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.246 8.108 5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.056 6.933 4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.572 5.194 4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.434 5.776 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.564 7.510 4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.573 7.160 3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.547 4.820 3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.603 5.267 4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.954 5.719 3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.187 7.231 3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.685 6.100 2.068 1.00 0.00 H new ATOM 916 N VAL A 60 -5.969 5.016 6.892 1.00 0.00 N ATOM 917 CA VAL A 60 -5.736 3.600 7.101 1.00 0.00 C ATOM 918 C VAL A 60 -4.951 3.364 8.385 1.00 0.00 C ATOM 919 O VAL A 60 -5.328 2.464 9.129 1.00 0.00 O ATOM 920 CB VAL A 60 -5.115 2.970 5.844 1.00 0.00 C ATOM 921 CG1 VAL A 60 -4.848 1.476 6.099 1.00 0.00 C ATOM 922 CG2 VAL A 60 -6.116 3.137 4.678 1.00 0.00 C ATOM 0 H VAL A 60 -5.325 5.461 6.238 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.685 3.085 7.250 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.171 3.457 5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.408 1.028 5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.160 1.367 6.938 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.787 0.973 6.332 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.697 2.697 3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.051 2.635 4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.307 4.197 4.511 1.00 0.00 H new ATOM 932 N SER A 61 -3.935 4.164 8.722 1.00 0.00 N ATOM 933 CA SER A 61 -3.279 4.021 10.018 1.00 0.00 C ATOM 934 C SER A 61 -4.257 4.308 11.160 1.00 0.00 C ATOM 935 O SER A 61 -4.079 3.769 12.252 1.00 0.00 O ATOM 936 CB SER A 61 -2.038 4.905 10.096 1.00 0.00 C ATOM 937 OG SER A 61 -1.140 4.502 9.082 1.00 0.00 O ATOM 0 H SER A 61 -3.557 4.902 8.127 1.00 0.00 H new ATOM 0 HA SER A 61 -2.950 2.987 10.126 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.310 5.953 9.968 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.569 4.815 11.076 1.00 0.00 H new ATOM 0 HG SER A 61 -0.692 5.290 8.709 1.00 0.00 H new ATOM 943 N GLY A 62 -5.303 5.108 10.926 1.00 0.00 N ATOM 944 CA GLY A 62 -6.398 5.266 11.864 1.00 0.00 C ATOM 945 C GLY A 62 -7.080 3.918 12.078 1.00 0.00 C ATOM 946 O GLY A 62 -7.138 3.444 13.208 1.00 0.00 O ATOM 0 H GLY A 62 -5.406 5.662 10.076 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.026 5.652 12.813 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.116 5.993 11.483 1.00 0.00 H new ATOM 950 N ASP A 63 -7.539 3.256 11.012 1.00 0.00 N ATOM 951 CA ASP A 63 -8.198 1.951 11.120 1.00 0.00 C ATOM 952 C ASP A 63 -7.286 0.877 11.715 1.00 0.00 C ATOM 953 O ASP A 63 -7.736 0.094 12.550 1.00 0.00 O ATOM 954 CB ASP A 63 -8.729 1.477 9.768 1.00 0.00 C ATOM 955 CG ASP A 63 -9.448 0.124 9.923 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.666 0.126 10.212 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.811 -0.936 9.735 1.00 0.00 O ATOM 0 H ASP A 63 -7.465 3.606 10.057 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.035 2.097 11.803 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.416 2.218 9.359 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.906 1.381 9.060 1.00 0.00 H new ATOM 962 N MET A 64 -5.998 0.864 11.362 1.00 0.00 N ATOM 963 CA MET A 64 -5.034 -0.046 11.975 1.00 0.00 C ATOM 964 C MET A 64 -5.020 0.168 13.483 1.00 0.00 C ATOM 965 O MET A 64 -5.154 -0.796 14.232 1.00 0.00 O ATOM 966 CB MET A 64 -3.629 0.149 11.390 1.00 0.00 C ATOM 967 CG MET A 64 -3.533 -0.233 9.906 1.00 0.00 C ATOM 968 SD MET A 64 -3.750 -1.997 9.570 1.00 0.00 S ATOM 969 CE MET A 64 -5.450 -1.939 8.958 1.00 0.00 C ATOM 0 H MET A 64 -5.600 1.478 10.651 1.00 0.00 H new ATOM 0 HA MET A 64 -5.338 -1.070 11.758 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.334 1.191 11.510 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.919 -0.451 11.959 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.287 0.325 9.351 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.561 0.079 9.526 1.00 0.00 H new ATOM 0 HE1 MET A 64 -5.873 -2.944 8.962 1.00 0.00 H new ATOM 0 HE2 MET A 64 -6.046 -1.292 9.601 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.457 -1.546 7.941 1.00 0.00 H new ATOM 979 N GLN A 65 -4.949 1.416 13.943 1.00 0.00 N ATOM 980 CA GLN A 65 -4.965 1.743 15.358 1.00 0.00 C ATOM 981 C GLN A 65 -6.318 1.442 16.016 1.00 0.00 C ATOM 982 O GLN A 65 -6.343 1.098 17.199 1.00 0.00 O ATOM 983 CB GLN A 65 -4.581 3.214 15.526 1.00 0.00 C ATOM 984 CG GLN A 65 -3.065 3.428 15.353 1.00 0.00 C ATOM 985 CD GLN A 65 -2.721 4.915 15.334 1.00 0.00 C ATOM 986 OE1 GLN A 65 -2.250 5.485 16.316 1.00 0.00 O ATOM 987 NE2 GLN A 65 -2.963 5.575 14.213 1.00 0.00 N ATOM 0 H GLN A 65 -4.878 2.232 13.335 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.239 1.110 15.868 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.120 3.817 14.795 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.888 3.560 16.513 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.530 2.938 16.166 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.732 2.962 14.426 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.354 5.086 13.408 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.758 6.573 14.154 1.00 0.00 H new ATOM 996 N LYS A 66 -7.437 1.499 15.282 1.00 0.00 N ATOM 997 CA LYS A 66 -8.723 1.017 15.792 1.00 0.00 C ATOM 998 C LYS A 66 -8.635 -0.484 16.055 1.00 0.00 C ATOM 999 O LYS A 66 -9.057 -0.917 17.126 1.00 0.00 O ATOM 1000 CB LYS A 66 -9.879 1.311 14.826 1.00 0.00 C ATOM 1001 CG LYS A 66 -10.185 2.801 14.614 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.236 2.994 13.504 1.00 0.00 C ATOM 1003 CE LYS A 66 -11.040 4.300 12.717 1.00 0.00 C ATOM 1004 NZ LYS A 66 -11.251 5.515 13.546 1.00 0.00 N ATOM 0 H LYS A 66 -7.476 1.874 14.334 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.933 1.550 16.719 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.648 0.862 13.860 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.778 0.820 15.199 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.548 3.238 15.544 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.270 3.330 14.350 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.190 2.150 12.816 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.231 2.989 13.948 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.032 4.320 12.303 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.731 4.317 11.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.105 6.363 12.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.221 5.515 13.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.574 5.518 14.336 1.00 0.00 H new ATOM 1018 N GLN A 67 -8.048 -1.275 15.143 1.00 0.00 N ATOM 1019 CA GLN A 67 -7.777 -2.691 15.412 1.00 0.00 C ATOM 1020 C GLN A 67 -6.730 -2.847 16.532 1.00 0.00 C ATOM 1021 O GLN A 67 -6.713 -3.859 17.230 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.328 -3.424 14.133 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.366 -3.354 12.995 1.00 0.00 C ATOM 1024 CD GLN A 67 -7.912 -4.105 11.739 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -7.496 -5.259 11.799 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -7.986 -3.496 10.566 1.00 0.00 N ATOM 0 H GLN A 67 -7.754 -0.958 14.219 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.706 -3.150 15.751 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.389 -2.993 13.786 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.130 -4.469 14.372 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.310 -3.772 13.343 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.553 -2.310 12.742 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.331 -2.538 10.510 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.698 -3.985 9.718 1.00 0.00 H new ATOM 1035 N GLY A 68 -5.867 -1.846 16.716 1.00 0.00 N ATOM 1036 CA GLY A 68 -4.855 -1.728 17.761 1.00 0.00 C ATOM 1037 C GLY A 68 -3.453 -1.555 17.172 1.00 0.00 C ATOM 1038 O GLY A 68 -2.580 -0.977 17.820 1.00 0.00 O ATOM 0 H GLY A 68 -5.859 -1.039 16.092 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.089 -0.877 18.400 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.878 -2.616 18.392 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.261 -2.060 15.951 1.00 0.00 N ATOM 1043 CA CYS A 69 -2.000 -2.147 15.238 1.00 0.00 C ATOM 1044 C CYS A 69 -1.294 -0.794 15.143 1.00 0.00 C ATOM 1045 O CYS A 69 -1.929 0.255 15.030 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.279 -2.716 13.843 1.00 0.00 C ATOM 1047 SG CYS A 69 -2.767 -4.460 13.994 1.00 0.00 S ATOM 0 H CYS A 69 -4.035 -2.441 15.407 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.326 -2.803 15.789 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.070 -2.146 13.356 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.391 -2.628 13.217 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.578 -4.769 13.026 1.00 0.00 H new ATOM 1053 N ASP A 70 0.036 -0.844 15.131 1.00 0.00 N ATOM 1054 CA ASP A 70 0.913 0.322 15.095 1.00 0.00 C ATOM 1055 C ASP A 70 1.550 0.375 13.709 1.00 0.00 C ATOM 1056 O ASP A 70 1.941 -0.678 13.193 1.00 0.00 O ATOM 1057 CB ASP A 70 1.959 0.182 16.201 1.00 0.00 C ATOM 1058 CG ASP A 70 2.965 1.344 16.162 1.00 0.00 C ATOM 1059 OD1 ASP A 70 2.536 2.519 16.191 1.00 0.00 O ATOM 1060 OD2 ASP A 70 4.188 1.088 16.128 1.00 0.00 O ATOM 0 H ASP A 70 0.549 -1.726 15.147 1.00 0.00 H new ATOM 0 HA ASP A 70 0.370 1.251 15.269 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.465 0.157 17.172 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.488 -0.765 16.088 1.00 0.00 H new ATOM 1065 N CYS A 71 1.663 1.570 13.116 1.00 0.00 N ATOM 1066 CA CYS A 71 2.017 1.735 11.708 1.00 0.00 C ATOM 1067 C CYS A 71 2.943 2.918 11.413 1.00 0.00 C ATOM 1068 O CYS A 71 3.013 3.870 12.193 1.00 0.00 O ATOM 1069 CB CYS A 71 0.710 1.967 10.937 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.270 0.452 10.891 1.00 0.00 S ATOM 0 H CYS A 71 1.510 2.452 13.605 1.00 0.00 H new ATOM 0 HA CYS A 71 2.558 0.837 11.410 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.137 2.764 11.411 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.932 2.295 9.922 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.730 0.197 12.080 1.00 0.00 H new ATOM 1076 N GLU A 72 3.581 2.894 10.235 1.00 0.00 N ATOM 1077 CA GLU A 72 4.360 3.988 9.670 1.00 0.00 C ATOM 1078 C GLU A 72 4.332 3.846 8.141 1.00 0.00 C ATOM 1079 O GLU A 72 4.572 2.750 7.634 1.00 0.00 O ATOM 1080 CB GLU A 72 5.794 3.888 10.215 1.00 0.00 C ATOM 1081 CG GLU A 72 6.714 4.930 9.575 1.00 0.00 C ATOM 1082 CD GLU A 72 8.065 5.031 10.306 1.00 0.00 C ATOM 1083 OE1 GLU A 72 8.992 4.246 10.003 1.00 0.00 O ATOM 1084 OE2 GLU A 72 8.221 5.912 11.182 1.00 0.00 O ATOM 0 H GLU A 72 3.563 2.074 9.629 1.00 0.00 H new ATOM 0 HA GLU A 72 3.953 4.962 9.942 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.783 4.026 11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.187 2.889 10.025 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.885 4.670 8.530 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.223 5.903 9.585 1.00 0.00 H new ATOM 1091 N CYS A 73 4.041 4.915 7.389 1.00 0.00 N ATOM 1092 CA CYS A 73 4.214 4.900 5.938 1.00 0.00 C ATOM 1093 C CYS A 73 5.722 4.872 5.656 1.00 0.00 C ATOM 1094 O CYS A 73 6.450 5.790 6.041 1.00 0.00 O ATOM 1095 CB CYS A 73 3.492 6.078 5.252 1.00 0.00 C ATOM 1096 SG CYS A 73 3.793 7.640 6.126 1.00 0.00 S ATOM 0 H CYS A 73 3.687 5.795 7.763 1.00 0.00 H new ATOM 0 HA CYS A 73 3.748 4.012 5.510 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.834 6.165 4.221 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.421 5.879 5.217 1.00 0.00 H new ATOM 0 HG CYS A 73 4.142 8.555 5.271 1.00 0.00 H new ATOM 1102 N LEU A 74 6.207 3.816 4.995 1.00 0.00 N ATOM 1103 CA LEU A 74 7.595 3.753 4.539 1.00 0.00 C ATOM 1104 C LEU A 74 7.823 4.774 3.418 1.00 0.00 C ATOM 1105 O LEU A 74 8.946 5.239 3.226 1.00 0.00 O ATOM 1106 CB LEU A 74 7.963 2.335 4.065 1.00 0.00 C ATOM 1107 CG LEU A 74 7.852 1.228 5.135 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.437 -0.083 4.593 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.573 1.582 6.443 1.00 0.00 C ATOM 0 H LEU A 74 5.654 2.991 4.764 1.00 0.00 H new ATOM 0 HA LEU A 74 8.244 3.998 5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.318 2.072 3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.986 2.351 3.688 1.00 0.00 H new ATOM 0 HG LEU A 74 6.791 1.121 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.355 -0.860 5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.886 -0.387 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.486 0.065 4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.458 0.764 7.155 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.632 1.743 6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.141 2.491 6.862 1.00 0.00 H new ATOM 1121 N GLY A 75 6.759 5.138 2.697 1.00 0.00 N ATOM 1122 CA GLY A 75 6.729 6.186 1.695 1.00 0.00 C ATOM 1123 C GLY A 75 5.443 6.043 0.891 1.00 0.00 C ATOM 1124 O GLY A 75 4.528 5.313 1.292 1.00 0.00 O ATOM 0 H GLY A 75 5.854 4.681 2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.773 7.166 2.170 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.597 6.110 1.040 1.00 0.00 H new ATOM 1128 N GLY A 76 5.384 6.698 -0.263 1.00 0.00 N ATOM 1129 CA GLY A 76 4.298 6.518 -1.209 1.00 0.00 C ATOM 1130 C GLY A 76 4.765 6.764 -2.632 1.00 0.00 C ATOM 1131 O GLY A 76 5.938 7.058 -2.870 1.00 0.00 O ATOM 0 H GLY A 76 6.090 7.369 -0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.901 5.506 -1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.484 7.201 -0.967 1.00 0.00 H new ATOM 1135 N GLY A 77 3.831 6.635 -3.566 1.00 0.00 N ATOM 1136 CA GLY A 77 4.060 6.726 -4.993 1.00 0.00 C ATOM 1137 C GLY A 77 2.718 6.776 -5.706 1.00 0.00 C ATOM 1138 O GLY A 77 1.705 7.164 -5.122 1.00 0.00 O ATOM 0 H GLY A 77 2.854 6.457 -3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.643 7.617 -5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.638 5.868 -5.337 1.00 0.00 H new ATOM 1142 N ARG A 78 2.679 6.403 -6.975 1.00 0.00 N ATOM 1143 CA ARG A 78 1.508 6.511 -7.832 1.00 0.00 C ATOM 1144 C ARG A 78 1.509 5.289 -8.739 1.00 0.00 C ATOM 1145 O ARG A 78 2.581 4.780 -9.075 1.00 0.00 O ATOM 1146 CB ARG A 78 1.621 7.854 -8.574 1.00 0.00 C ATOM 1147 CG ARG A 78 0.405 8.269 -9.412 1.00 0.00 C ATOM 1148 CD ARG A 78 0.753 9.563 -10.160 1.00 0.00 C ATOM 1149 NE ARG A 78 -0.405 10.145 -10.859 1.00 0.00 N ATOM 1150 CZ ARG A 78 -0.336 11.071 -11.827 1.00 0.00 C ATOM 1151 NH1 ARG A 78 0.840 11.519 -12.261 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -1.456 11.553 -12.359 1.00 0.00 N ATOM 0 H ARG A 78 3.487 6.004 -7.453 1.00 0.00 H new ATOM 0 HA ARG A 78 0.556 6.516 -7.302 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.814 8.636 -7.840 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.491 7.811 -9.230 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.144 7.481 -10.118 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.463 8.423 -8.771 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.149 10.292 -9.452 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.543 9.359 -10.883 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.332 9.819 -10.586 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.704 11.158 -11.857 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.877 12.223 -12.998 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.362 11.218 -12.031 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.409 12.257 -13.095 1.00 0.00 H new ATOM 1166 N ILE A 79 0.324 4.804 -9.098 1.00 0.00 N ATOM 1167 CA ILE A 79 0.143 3.556 -9.829 1.00 0.00 C ATOM 1168 C ILE A 79 -0.595 3.902 -11.117 1.00 0.00 C ATOM 1169 O ILE A 79 -1.506 4.734 -11.119 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.585 2.502 -8.955 1.00 0.00 C ATOM 1171 CG1 ILE A 79 0.221 2.274 -7.651 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -0.798 1.185 -9.731 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -0.186 1.065 -6.797 1.00 0.00 C ATOM 0 H ILE A 79 -0.554 5.277 -8.884 1.00 0.00 H new ATOM 0 HA ILE A 79 1.096 3.092 -10.082 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.575 2.875 -8.693 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.273 2.167 -7.915 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.136 3.170 -7.036 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.311 0.465 -9.093 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.402 1.379 -10.617 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.168 0.780 -10.032 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.450 1.013 -5.914 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.226 1.171 -6.489 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.071 0.152 -7.381 1.00 0.00 H new ATOM 1333 N HIS A 89 2.205 -0.315 -13.622 1.00 0.00 N ATOM 1334 CA HIS A 89 3.443 0.347 -13.256 1.00 0.00 C ATOM 1335 C HIS A 89 3.245 1.115 -11.954 1.00 0.00 C ATOM 1336 O HIS A 89 2.132 1.549 -11.650 1.00 0.00 O ATOM 1337 CB HIS A 89 3.898 1.258 -14.401 1.00 0.00 C ATOM 1338 CG HIS A 89 5.379 1.523 -14.362 1.00 0.00 C ATOM 1339 ND1 HIS A 89 6.366 0.622 -14.696 1.00 0.00 N ATOM 1340 CD2 HIS A 89 6.000 2.683 -13.987 1.00 0.00 C ATOM 1341 CE1 HIS A 89 7.551 1.232 -14.548 1.00 0.00 C ATOM 1342 NE2 HIS A 89 7.383 2.493 -14.109 1.00 0.00 N ATOM 0 HA HIS A 89 4.230 -0.389 -13.089 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.638 0.798 -15.354 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.360 2.204 -14.346 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.510 3.587 -13.655 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.508 0.775 -14.753 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.115 3.174 -13.906 1.00 0.00 H new ATOM 1350 N VAL A 90 4.326 1.291 -11.200 1.00 0.00 N ATOM 1351 CA VAL A 90 4.363 1.962 -9.909 1.00 0.00 C ATOM 1352 C VAL A 90 5.585 2.881 -9.965 1.00 0.00 C ATOM 1353 O VAL A 90 6.660 2.456 -10.385 1.00 0.00 O ATOM 1354 CB VAL A 90 4.466 0.911 -8.777 1.00 0.00 C ATOM 1355 CG1 VAL A 90 4.485 1.558 -7.385 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.318 -0.113 -8.810 1.00 0.00 C ATOM 0 H VAL A 90 5.244 0.952 -11.489 1.00 0.00 H new ATOM 0 HA VAL A 90 3.462 2.540 -9.703 1.00 0.00 H new ATOM 0 HB VAL A 90 5.410 0.398 -8.959 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.558 0.781 -6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.343 2.226 -7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.567 2.127 -7.236 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.442 -0.825 -7.994 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.365 0.405 -8.698 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.332 -0.645 -9.761 1.00 0.00 H new ATOM 1366 N TYR A 91 5.438 4.148 -9.590 1.00 0.00 N ATOM 1367 CA TYR A 91 6.510 5.139 -9.654 1.00 0.00 C ATOM 1368 C TYR A 91 6.178 6.308 -8.722 1.00 0.00 C ATOM 1369 O TYR A 91 5.273 6.188 -7.898 1.00 0.00 O ATOM 1370 CB TYR A 91 6.754 5.558 -11.121 1.00 0.00 C ATOM 1371 CG TYR A 91 5.621 6.152 -11.955 1.00 0.00 C ATOM 1372 CD1 TYR A 91 4.382 6.555 -11.410 1.00 0.00 C ATOM 1373 CD2 TYR A 91 5.833 6.287 -13.341 1.00 0.00 C ATOM 1374 CE1 TYR A 91 3.373 7.076 -12.239 1.00 0.00 C ATOM 1375 CE2 TYR A 91 4.837 6.821 -14.175 1.00 0.00 C ATOM 1376 CZ TYR A 91 3.597 7.215 -13.627 1.00 0.00 C ATOM 1377 OH TYR A 91 2.628 7.717 -14.444 1.00 0.00 O ATOM 0 H TYR A 91 4.560 4.521 -9.228 1.00 0.00 H new ATOM 0 HA TYR A 91 7.451 4.716 -9.301 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.566 6.285 -11.117 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.117 4.677 -11.651 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.208 6.462 -10.348 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.775 5.976 -13.768 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.425 7.371 -11.814 1.00 0.00 H new ATOM 0 HE2 TYR A 91 5.019 6.930 -15.234 1.00 0.00 H new ATOM 0 HH TYR A 91 2.958 7.741 -15.366 1.00 0.00 H new ATOM 1387 N GLY A 92 6.850 7.450 -8.860 1.00 0.00 N ATOM 1388 CA GLY A 92 6.514 8.657 -8.122 1.00 0.00 C ATOM 1389 C GLY A 92 6.994 8.608 -6.676 1.00 0.00 C ATOM 1390 O GLY A 92 7.765 7.731 -6.275 1.00 0.00 O ATOM 0 H GLY A 92 7.645 7.560 -9.490 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.958 9.519 -8.620 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.434 8.800 -8.138 1.00 0.00 H new ATOM 1394 N TYR A 93 6.577 9.611 -5.906 1.00 0.00 N ATOM 1395 CA TYR A 93 7.018 9.822 -4.535 1.00 0.00 C ATOM 1396 C TYR A 93 6.055 10.762 -3.811 1.00 0.00 C ATOM 1397 O TYR A 93 5.429 11.620 -4.441 1.00 0.00 O ATOM 1398 CB TYR A 93 8.432 10.440 -4.537 1.00 0.00 C ATOM 1399 CG TYR A 93 8.642 11.628 -5.467 1.00 0.00 C ATOM 1400 CD1 TYR A 93 8.371 12.938 -5.028 1.00 0.00 C ATOM 1401 CD2 TYR A 93 9.116 11.418 -6.779 1.00 0.00 C ATOM 1402 CE1 TYR A 93 8.553 14.030 -5.895 1.00 0.00 C ATOM 1403 CE2 TYR A 93 9.299 12.504 -7.653 1.00 0.00 C ATOM 1404 CZ TYR A 93 9.016 13.819 -7.214 1.00 0.00 C ATOM 1405 OH TYR A 93 9.187 14.885 -8.045 1.00 0.00 O ATOM 0 H TYR A 93 5.910 10.312 -6.227 1.00 0.00 H new ATOM 0 HA TYR A 93 7.037 8.863 -4.018 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.671 10.753 -3.521 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.146 9.662 -4.807 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.021 13.105 -4.020 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.340 10.416 -7.114 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.339 15.032 -5.553 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.655 12.335 -8.658 1.00 0.00 H new ATOM 0 HH TYR A 93 9.511 14.573 -8.915 1.00 0.00 H new ATOM 1415 N SER A 94 5.927 10.589 -2.494 1.00 0.00 N ATOM 1416 CA SER A 94 5.254 11.559 -1.635 1.00 0.00 C ATOM 1417 C SER A 94 6.262 12.695 -1.400 1.00 0.00 C ATOM 1418 O SER A 94 7.463 12.510 -1.627 1.00 0.00 O ATOM 1419 CB SER A 94 4.829 10.858 -0.335 1.00 0.00 C ATOM 1420 OG SER A 94 4.599 11.746 0.734 1.00 0.00 O ATOM 0 H SER A 94 6.287 9.774 -1.996 1.00 0.00 H new ATOM 0 HA SER A 94 4.347 11.971 -2.078 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.921 10.284 -0.521 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.603 10.147 -0.046 1.00 0.00 H new ATOM 0 HG SER A 94 3.636 11.901 0.829 1.00 0.00 H new ATOM 1426 N MET A 95 5.817 13.847 -0.893 1.00 0.00 N ATOM 1427 CA MET A 95 6.723 14.910 -0.468 1.00 0.00 C ATOM 1428 C MET A 95 6.750 15.031 1.055 1.00 0.00 C ATOM 1429 O MET A 95 7.798 15.388 1.599 1.00 0.00 O ATOM 1430 CB MET A 95 6.395 16.238 -1.161 1.00 0.00 C ATOM 1431 CG MET A 95 4.978 16.741 -0.875 1.00 0.00 C ATOM 1432 SD MET A 95 4.649 18.433 -1.460 1.00 0.00 S ATOM 1433 CE MET A 95 4.762 18.207 -3.258 1.00 0.00 C ATOM 0 H MET A 95 4.829 14.066 -0.767 1.00 0.00 H new ATOM 0 HA MET A 95 7.732 14.642 -0.781 1.00 0.00 H new ATOM 0 HB2 MET A 95 7.112 16.993 -0.840 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.519 16.118 -2.237 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.264 16.063 -1.342 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.801 16.700 0.200 1.00 0.00 H new ATOM 0 HE1 MET A 95 4.496 19.138 -3.759 1.00 0.00 H new ATOM 0 HE2 MET A 95 5.781 17.929 -3.526 1.00 0.00 H new ATOM 0 HE3 MET A 95 4.077 17.419 -3.569 1.00 0.00 H new ATOM 1443 N ALA A 96 5.665 14.690 1.763 1.00 0.00 N ATOM 1444 CA ALA A 96 5.705 14.613 3.219 1.00 0.00 C ATOM 1445 C ALA A 96 6.438 13.350 3.699 1.00 0.00 C ATOM 1446 O ALA A 96 6.987 13.363 4.803 1.00 0.00 O ATOM 1447 CB ALA A 96 4.287 14.664 3.789 1.00 0.00 C ATOM 0 H ALA A 96 4.759 14.466 1.351 1.00 0.00 H new ATOM 0 HA ALA A 96 6.264 15.474 3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.330 14.606 4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.810 15.599 3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.709 13.824 3.403 1.00 0.00 H new ATOM 1453 N TYR A 97 6.480 12.286 2.884 1.00 0.00 N ATOM 1454 CA TYR A 97 6.952 10.963 3.300 1.00 0.00 C ATOM 1455 C TYR A 97 7.924 10.313 2.302 1.00 0.00 C ATOM 1456 O TYR A 97 8.503 9.272 2.618 1.00 0.00 O ATOM 1457 CB TYR A 97 5.738 10.053 3.544 1.00 0.00 C ATOM 1458 CG TYR A 97 4.638 10.662 4.402 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.808 10.779 5.796 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.451 11.130 3.805 1.00 0.00 C ATOM 1461 CE1 TYR A 97 3.785 11.321 6.595 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.418 11.650 4.598 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.576 11.752 5.997 1.00 0.00 C ATOM 1464 OH TYR A 97 1.572 12.285 6.749 1.00 0.00 O ATOM 0 H TYR A 97 6.184 12.323 1.909 1.00 0.00 H new ATOM 0 HA TYR A 97 7.522 11.096 4.220 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.313 9.774 2.580 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.082 9.134 4.019 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.729 10.451 6.254 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.336 11.088 2.732 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.921 11.408 7.663 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.497 11.974 4.136 1.00 0.00 H new ATOM 0 HH TYR A 97 0.820 12.525 6.168 1.00 0.00 H new ATOM 1474 N GLY A 98 8.154 10.919 1.131 1.00 0.00 N ATOM 1475 CA GLY A 98 9.153 10.457 0.169 1.00 0.00 C ATOM 1476 C GLY A 98 8.709 9.226 -0.634 1.00 0.00 C ATOM 1477 O GLY A 98 7.572 8.758 -0.493 1.00 0.00 O ATOM 0 H GLY A 98 7.647 11.749 0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.382 11.268 -0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.075 10.221 0.700 1.00 0.00 H new ATOM 1481 N PRO A 99 9.576 8.702 -1.517 1.00 0.00 N ATOM 1482 CA PRO A 99 9.308 7.474 -2.252 1.00 0.00 C ATOM 1483 C PRO A 99 9.300 6.268 -1.311 1.00 0.00 C ATOM 1484 O PRO A 99 10.108 6.184 -0.380 1.00 0.00 O ATOM 1485 CB PRO A 99 10.435 7.346 -3.282 1.00 0.00 C ATOM 1486 CG PRO A 99 11.589 8.138 -2.671 1.00 0.00 C ATOM 1487 CD PRO A 99 10.897 9.223 -1.845 1.00 0.00 C ATOM 0 HA PRO A 99 8.329 7.505 -2.731 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.709 6.304 -3.446 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.140 7.753 -4.249 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.222 7.505 -2.049 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.229 8.570 -3.441 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.464 9.445 -0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.820 10.152 -2.409 1.00 0.00 H new ATOM 1495 N ALA A 100 8.396 5.321 -1.568 1.00 0.00 N ATOM 1496 CA ALA A 100 8.413 4.018 -0.916 1.00 0.00 C ATOM 1497 C ALA A 100 9.564 3.171 -1.489 1.00 0.00 C ATOM 1498 O ALA A 100 10.240 3.575 -2.439 1.00 0.00 O ATOM 1499 CB ALA A 100 7.069 3.332 -1.163 1.00 0.00 C ATOM 0 H ALA A 100 7.633 5.439 -2.235 1.00 0.00 H new ATOM 0 HA ALA A 100 8.569 4.132 0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.065 2.354 -0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.267 3.943 -0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.915 3.208 -2.235 1.00 0.00 H new ATOM 1505 N GLN A 101 9.752 1.958 -0.953 1.00 0.00 N ATOM 1506 CA GLN A 101 10.700 0.992 -1.515 1.00 0.00 C ATOM 1507 C GLN A 101 10.306 0.574 -2.939 1.00 0.00 C ATOM 1508 O GLN A 101 11.181 0.199 -3.717 1.00 0.00 O ATOM 1509 CB GLN A 101 10.786 -0.265 -0.629 1.00 0.00 C ATOM 1510 CG GLN A 101 11.303 -0.018 0.797 1.00 0.00 C ATOM 1511 CD GLN A 101 12.701 0.606 0.822 1.00 0.00 C ATOM 1512 OE1 GLN A 101 12.862 1.806 1.027 1.00 0.00 O ATOM 1513 NE2 GLN A 101 13.741 -0.182 0.601 1.00 0.00 N ATOM 0 H GLN A 101 9.257 1.623 -0.127 1.00 0.00 H new ATOM 0 HA GLN A 101 11.672 1.484 -1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.796 -0.717 -0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.438 -0.991 -1.115 1.00 0.00 H new ATOM 0 HG2 GLN A 101 10.608 0.638 1.322 1.00 0.00 H new ATOM 0 HG3 GLN A 101 11.322 -0.963 1.340 1.00 0.00 H new ATOM 0 HE21 GLN A 101 13.599 -1.178 0.432 1.00 0.00 H new ATOM 0 HE22 GLN A 101 14.684 0.206 0.600 1.00 0.00 H new ATOM 1522 N HIS A 102 9.005 0.604 -3.260 1.00 0.00 N ATOM 1523 CA HIS A 102 8.358 0.150 -4.494 1.00 0.00 C ATOM 1524 C HIS A 102 8.536 -1.330 -4.855 1.00 0.00 C ATOM 1525 O HIS A 102 7.612 -1.905 -5.427 1.00 0.00 O ATOM 1526 CB HIS A 102 8.626 1.125 -5.647 1.00 0.00 C ATOM 1527 CG HIS A 102 8.006 2.477 -5.383 1.00 0.00 C ATOM 1528 ND1 HIS A 102 8.641 3.699 -5.358 1.00 0.00 N ATOM 1529 CD2 HIS A 102 6.708 2.703 -5.008 1.00 0.00 C ATOM 1530 CE1 HIS A 102 7.747 4.627 -4.984 1.00 0.00 C ATOM 1531 NE2 HIS A 102 6.548 4.071 -4.769 1.00 0.00 N ATOM 0 H HIS A 102 8.321 0.980 -2.604 1.00 0.00 H new ATOM 0 HA HIS A 102 7.289 0.178 -4.282 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.701 1.238 -5.787 1.00 0.00 H new ATOM 0 HB3 HIS A 102 8.225 0.714 -6.573 1.00 0.00 H new ATOM 0 HD1 HIS A 102 9.621 3.869 -5.585 1.00 0.00 H new ATOM 0 HD2 HIS A 102 5.938 1.951 -4.913 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.965 5.679 -4.872 1.00 0.00 H new ATOM 1539 N ALA A 103 9.624 -1.982 -4.441 1.00 0.00 N ATOM 1540 CA ALA A 103 9.829 -3.416 -4.603 1.00 0.00 C ATOM 1541 C ALA A 103 8.771 -4.195 -3.816 1.00 0.00 C ATOM 1542 O ALA A 103 8.218 -5.174 -4.313 1.00 0.00 O ATOM 1543 CB ALA A 103 11.236 -3.783 -4.111 1.00 0.00 C ATOM 0 H ALA A 103 10.401 -1.515 -3.974 1.00 0.00 H new ATOM 0 HA ALA A 103 9.734 -3.679 -5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.395 -4.855 -4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 103 11.979 -3.239 -4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.335 -3.516 -3.059 1.00 0.00 H new ATOM 1549 N ILE A 104 8.480 -3.746 -2.589 1.00 0.00 N ATOM 1550 CA ILE A 104 7.450 -4.341 -1.746 1.00 0.00 C ATOM 1551 C ILE A 104 6.104 -4.210 -2.475 1.00 0.00 C ATOM 1552 O ILE A 104 5.361 -5.185 -2.583 1.00 0.00 O ATOM 1553 CB ILE A 104 7.444 -3.668 -0.347 1.00 0.00 C ATOM 1554 CG1 ILE A 104 8.839 -3.726 0.325 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.390 -4.332 0.558 1.00 0.00 C ATOM 1556 CD1 ILE A 104 8.930 -2.978 1.661 1.00 0.00 C ATOM 0 H ILE A 104 8.958 -2.956 -2.156 1.00 0.00 H new ATOM 0 HA ILE A 104 7.648 -5.399 -1.573 1.00 0.00 H new ATOM 0 HB ILE A 104 7.188 -2.618 -0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 104 9.107 -4.770 0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.577 -3.311 -0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.396 -3.851 1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.404 -4.225 0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.624 -5.390 0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 104 9.940 -3.070 2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.696 -1.925 1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.219 -3.407 2.367 1.00 0.00 H new ATOM 1568 N SER A 105 5.803 -3.019 -2.997 1.00 0.00 N ATOM 1569 CA SER A 105 4.526 -2.687 -3.597 1.00 0.00 C ATOM 1570 C SER A 105 4.253 -3.577 -4.804 1.00 0.00 C ATOM 1571 O SER A 105 3.201 -4.215 -4.866 1.00 0.00 O ATOM 1572 CB SER A 105 4.535 -1.205 -3.998 1.00 0.00 C ATOM 1573 OG SER A 105 5.375 -0.464 -3.127 1.00 0.00 O ATOM 0 H SER A 105 6.465 -2.243 -3.010 1.00 0.00 H new ATOM 0 HA SER A 105 3.727 -2.859 -2.876 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.884 -1.101 -5.026 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.521 -0.806 -3.963 1.00 0.00 H new ATOM 0 HG SER A 105 5.043 0.455 -3.056 1.00 0.00 H new ATOM 1579 N THR A 106 5.196 -3.652 -5.748 1.00 0.00 N ATOM 1580 CA THR A 106 4.990 -4.408 -6.968 1.00 0.00 C ATOM 1581 C THR A 106 4.843 -5.887 -6.635 1.00 0.00 C ATOM 1582 O THR A 106 3.872 -6.498 -7.073 1.00 0.00 O ATOM 1583 CB THR A 106 6.123 -4.136 -7.969 1.00 0.00 C ATOM 1584 OG1 THR A 106 7.386 -4.329 -7.364 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.047 -2.698 -8.489 1.00 0.00 C ATOM 0 H THR A 106 6.106 -3.196 -5.683 1.00 0.00 H new ATOM 0 HA THR A 106 4.066 -4.087 -7.450 1.00 0.00 H new ATOM 0 HB THR A 106 6.004 -4.836 -8.796 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.042 -3.732 -7.779 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.857 -2.524 -9.197 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.090 -2.541 -8.987 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.139 -2.004 -7.654 1.00 0.00 H new ATOM 1593 N GLU A 107 5.736 -6.459 -5.822 1.00 0.00 N ATOM 1594 CA GLU A 107 5.693 -7.878 -5.495 1.00 0.00 C ATOM 1595 C GLU A 107 4.378 -8.244 -4.800 1.00 0.00 C ATOM 1596 O GLU A 107 3.789 -9.272 -5.134 1.00 0.00 O ATOM 1597 CB GLU A 107 6.910 -8.277 -4.646 1.00 0.00 C ATOM 1598 CG GLU A 107 8.223 -8.276 -5.449 1.00 0.00 C ATOM 1599 CD GLU A 107 8.263 -9.384 -6.518 1.00 0.00 C ATOM 1600 OE1 GLU A 107 8.585 -10.547 -6.181 1.00 0.00 O ATOM 1601 OE2 GLU A 107 7.990 -9.096 -7.706 1.00 0.00 O ATOM 0 H GLU A 107 6.501 -5.952 -5.378 1.00 0.00 H new ATOM 0 HA GLU A 107 5.737 -8.444 -6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.003 -7.589 -3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.746 -9.270 -4.228 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.349 -7.306 -5.931 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.063 -8.404 -4.766 1.00 0.00 H new ATOM 1608 N LYS A 108 3.870 -7.401 -3.892 1.00 0.00 N ATOM 1609 CA LYS A 108 2.584 -7.656 -3.248 1.00 0.00 C ATOM 1610 C LYS A 108 1.444 -7.616 -4.259 1.00 0.00 C ATOM 1611 O LYS A 108 0.618 -8.529 -4.256 1.00 0.00 O ATOM 1612 CB LYS A 108 2.337 -6.657 -2.111 1.00 0.00 C ATOM 1613 CG LYS A 108 3.158 -7.004 -0.864 1.00 0.00 C ATOM 1614 CD LYS A 108 2.878 -5.997 0.258 1.00 0.00 C ATOM 1615 CE LYS A 108 3.592 -6.426 1.543 1.00 0.00 C ATOM 1616 NZ LYS A 108 2.812 -7.422 2.309 1.00 0.00 N ATOM 0 H LYS A 108 4.330 -6.542 -3.591 1.00 0.00 H new ATOM 0 HA LYS A 108 2.618 -8.658 -2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.593 -5.652 -2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.277 -6.648 -1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.912 -8.011 -0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.220 -7.000 -1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.216 -5.005 -0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.805 -5.928 0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.567 -6.845 1.293 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.772 -5.550 2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.461 -8.042 2.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.184 -6.932 2.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.241 -7.994 1.654 1.00 0.00 H new ATOM 1630 N ILE A 109 1.382 -6.606 -5.133 1.00 0.00 N ATOM 1631 CA ILE A 109 0.307 -6.517 -6.122 1.00 0.00 C ATOM 1632 C ILE A 109 0.392 -7.743 -7.044 1.00 0.00 C ATOM 1633 O ILE A 109 -0.626 -8.387 -7.292 1.00 0.00 O ATOM 1634 CB ILE A 109 0.362 -5.168 -6.883 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.168 -3.958 -5.934 1.00 0.00 C ATOM 1636 CG2 ILE A 109 -0.730 -5.097 -7.972 1.00 0.00 C ATOM 1637 CD1 ILE A 109 0.667 -2.638 -6.538 1.00 0.00 C ATOM 0 H ILE A 109 2.059 -5.844 -5.175 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.667 -6.531 -5.632 1.00 0.00 H new ATOM 0 HB ILE A 109 1.352 -5.118 -7.337 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.889 -3.862 -5.688 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.697 -4.147 -5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.667 -4.139 -8.489 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.583 -5.906 -8.688 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.712 -5.195 -7.509 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.504 -1.828 -5.827 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.731 -2.718 -6.759 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.120 -2.429 -7.457 1.00 0.00 H new ATOM 1649 N LYS A 110 1.589 -8.120 -7.505 1.00 0.00 N ATOM 1650 CA LYS A 110 1.789 -9.278 -8.382 1.00 0.00 C ATOM 1651 C LYS A 110 1.316 -10.555 -7.691 1.00 0.00 C ATOM 1652 O LYS A 110 0.621 -11.355 -8.316 1.00 0.00 O ATOM 1653 CB LYS A 110 3.272 -9.387 -8.786 1.00 0.00 C ATOM 1654 CG LYS A 110 3.707 -8.219 -9.690 1.00 0.00 C ATOM 1655 CD LYS A 110 5.221 -7.967 -9.690 1.00 0.00 C ATOM 1656 CE LYS A 110 5.970 -8.947 -10.593 1.00 0.00 C ATOM 1657 NZ LYS A 110 7.438 -8.831 -10.414 1.00 0.00 N ATOM 0 H LYS A 110 2.452 -7.627 -7.278 1.00 0.00 H new ATOM 0 HA LYS A 110 1.196 -9.143 -9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.892 -9.403 -7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.438 -10.330 -9.306 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.382 -8.421 -10.711 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.197 -7.312 -9.366 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.418 -6.947 -10.021 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.601 -8.050 -8.672 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.654 -9.966 -10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.712 -8.755 -11.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.902 -9.683 -10.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.785 -7.995 -10.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.658 -8.734 -9.402 1.00 0.00 H new ATOM 1786 N VAL A 118 3.285 -6.281 -12.994 1.00 0.00 N ATOM 1787 CA VAL A 118 3.514 -4.948 -12.469 1.00 0.00 C ATOM 1788 C VAL A 118 5.022 -4.697 -12.547 1.00 0.00 C ATOM 1789 O VAL A 118 5.807 -5.629 -12.352 1.00 0.00 O ATOM 1790 CB VAL A 118 3.012 -4.865 -11.007 1.00 0.00 C ATOM 1791 CG1 VAL A 118 2.904 -3.407 -10.540 1.00 0.00 C ATOM 1792 CG2 VAL A 118 1.649 -5.534 -10.748 1.00 0.00 C ATOM 0 HA VAL A 118 2.973 -4.194 -13.041 1.00 0.00 H new ATOM 0 HB VAL A 118 3.765 -5.416 -10.444 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.549 -3.380 -9.510 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.884 -2.933 -10.599 1.00 0.00 H new ATOM 0 HG13 VAL A 118 2.202 -2.871 -11.179 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.383 -5.423 -9.697 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.887 -5.060 -11.367 1.00 0.00 H new ATOM 0 HG23 VAL A 118 1.711 -6.593 -10.997 1.00 0.00 H new ATOM 1802 N THR A 119 5.425 -3.453 -12.792 1.00 0.00 N ATOM 1803 CA THR A 119 6.822 -3.028 -12.835 1.00 0.00 C ATOM 1804 C THR A 119 6.973 -1.708 -12.072 1.00 0.00 C ATOM 1805 O THR A 119 5.971 -1.098 -11.686 1.00 0.00 O ATOM 1806 CB THR A 119 7.279 -2.928 -14.305 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.324 -2.251 -15.116 1.00 0.00 O ATOM 1808 CG2 THR A 119 7.527 -4.313 -14.901 1.00 0.00 C ATOM 0 H THR A 119 4.771 -2.691 -12.971 1.00 0.00 H new ATOM 0 HA THR A 119 7.467 -3.758 -12.346 1.00 0.00 H new ATOM 0 HB THR A 119 8.207 -2.356 -14.297 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.467 -1.284 -15.051 1.00 0.00 H new ATOM 0 HG21 THR A 119 7.848 -4.211 -15.938 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.303 -4.821 -14.329 1.00 0.00 H new ATOM 0 HG23 THR A 119 6.607 -4.896 -14.862 1.00 0.00 H new ATOM 1816 N TRP A 120 8.207 -1.252 -11.842 1.00 0.00 N ATOM 1817 CA TRP A 120 8.451 0.070 -11.279 1.00 0.00 C ATOM 1818 C TRP A 120 9.745 0.667 -11.824 1.00 0.00 C ATOM 1819 O TRP A 120 10.641 -0.061 -12.260 1.00 0.00 O ATOM 1820 CB TRP A 120 8.464 0.032 -9.741 1.00 0.00 C ATOM 1821 CG TRP A 120 9.590 -0.692 -9.070 1.00 0.00 C ATOM 1822 CD1 TRP A 120 9.704 -2.031 -8.933 1.00 0.00 C ATOM 1823 CD2 TRP A 120 10.766 -0.126 -8.413 1.00 0.00 C ATOM 1824 NE1 TRP A 120 10.849 -2.335 -8.230 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.543 -1.198 -7.878 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.253 1.186 -8.211 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 12.738 -0.984 -7.175 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.456 1.407 -7.513 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.196 0.331 -6.993 1.00 0.00 C ATOM 0 H TRP A 120 9.054 -1.785 -12.040 1.00 0.00 H new ATOM 0 HA TRP A 120 7.628 0.716 -11.585 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.465 1.061 -9.381 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.530 -0.421 -9.409 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.002 -2.756 -9.318 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.146 -3.283 -7.999 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.696 2.028 -8.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.298 -1.819 -6.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 12.815 2.416 -7.375 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.114 0.515 -6.455 1.00 0.00 H new