USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 846 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 106 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 108 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Set 2.1: A 48 TYR OH : rot 31:sc= 0.00258 USER MOD Set 2.2: A 66 GLN : amide:sc= 0.0021 X(o=0.0047,f=-0.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 0 (180deg=-0.0301) USER MOD Single : A 4 MET CE :methyl 164:sc= -0.243 (180deg=-0.911) USER MOD Single : A 6 LYS NZ :NH3+ -117:sc= -0.225 (180deg=-1.73!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -26:sc= 0.196! USER MOD Single : A 20 HIS : no HD1:sc= -0.157 K(o=-0.16,f=-0.77) USER MOD Single : A 23 SER OG : rot -150:sc= 0 USER MOD Single : A 24 MET CE :methyl -156:sc= -0.0968 (180deg=-0.508) USER MOD Single : A 29 GLN : amide:sc= -1.42 K(o=-1.4,f=-4.7!) USER MOD Single : A 31 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.368 K(o=-0.37,f=-4!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -72:sc= 0.388 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -86:sc= 0.488 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.441 F(o=-2.8!,f=-0.44) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -145:sc= -0.0379 (180deg=-0.937) USER MOD Single : A 95 LYS NZ :NH3+ 165:sc= -0.0448 (180deg=-0.266) USER MOD Single : A 99 LYS NZ :NH3+ -168:sc= -0.0115 (180deg=-0.173) USER MOD Single : A 100 THR OG1 : rot -73:sc= 0.305 USER MOD Single : A 102 LYS NZ :NH3+ 137:sc= -1.41 (180deg=-3.53!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.794 14.511 -3.722 1.00 0.00 N ATOM 2 CA MET A 1 8.740 14.825 -4.825 1.00 0.00 C ATOM 3 C MET A 1 10.124 15.179 -4.269 1.00 0.00 C ATOM 4 O MET A 1 10.405 16.339 -3.946 1.00 0.00 O ATOM 5 CB MET A 1 8.155 15.986 -5.642 1.00 0.00 C ATOM 6 CG MET A 1 8.927 16.310 -6.913 1.00 0.00 C ATOM 7 SD MET A 1 8.208 17.686 -7.831 1.00 0.00 S ATOM 8 CE MET A 1 9.340 17.804 -9.214 1.00 0.00 C ATOM 0 H1 MET A 1 6.847 14.340 -4.115 1.00 0.00 H new ATOM 0 H2 MET A 1 8.118 13.661 -3.218 1.00 0.00 H new ATOM 0 H3 MET A 1 7.755 15.312 -3.060 1.00 0.00 H new ATOM 0 HA MET A 1 8.869 13.954 -5.468 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.126 15.745 -5.908 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.122 16.876 -5.014 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.959 16.550 -6.656 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.955 15.427 -7.552 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.026 18.613 -9.873 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.346 18.006 -8.845 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.338 16.865 -9.767 1.00 0.00 H new ATOM 20 N GLY A 2 10.979 14.162 -4.159 1.00 0.00 N ATOM 21 CA GLY A 2 12.328 14.348 -3.646 1.00 0.00 C ATOM 22 C GLY A 2 12.830 13.134 -2.873 1.00 0.00 C ATOM 23 O GLY A 2 12.055 12.207 -2.623 1.00 0.00 O ATOM 0 H GLY A 2 10.757 13.201 -4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 2 13.004 14.551 -4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 2 12.349 15.223 -2.996 1.00 0.00 H new ATOM 27 N PRO A 3 14.132 13.103 -2.472 1.00 0.00 N ATOM 28 CA PRO A 3 14.698 11.982 -1.724 1.00 0.00 C ATOM 29 C PRO A 3 14.249 11.985 -0.264 1.00 0.00 C ATOM 30 O PRO A 3 14.235 13.031 0.390 1.00 0.00 O ATOM 31 CB PRO A 3 16.216 12.180 -1.831 1.00 0.00 C ATOM 32 CG PRO A 3 16.440 13.412 -2.642 1.00 0.00 C ATOM 33 CD PRO A 3 15.141 14.148 -2.711 1.00 0.00 C ATOM 0 HA PRO A 3 14.369 11.023 -2.124 1.00 0.00 H new ATOM 0 HB2 PRO A 3 16.662 12.283 -0.842 1.00 0.00 H new ATOM 0 HB3 PRO A 3 16.685 11.317 -2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 3 17.210 14.035 -2.187 1.00 0.00 H new ATOM 0 HG3 PRO A 3 16.788 13.154 -3.642 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.087 14.936 -1.959 1.00 0.00 H new ATOM 0 HD3 PRO A 3 15.002 14.624 -3.682 1.00 0.00 H new ATOM 41 N MET A 4 13.862 10.804 0.228 1.00 0.00 N ATOM 42 CA MET A 4 13.380 10.647 1.604 1.00 0.00 C ATOM 43 C MET A 4 13.714 9.239 2.154 1.00 0.00 C ATOM 44 O MET A 4 14.043 8.349 1.366 1.00 0.00 O ATOM 45 CB MET A 4 11.862 10.937 1.642 1.00 0.00 C ATOM 46 CG MET A 4 11.061 10.289 0.512 1.00 0.00 C ATOM 47 SD MET A 4 10.739 8.536 0.777 1.00 0.00 S ATOM 48 CE MET A 4 9.588 8.610 2.148 1.00 0.00 C ATOM 0 H MET A 4 13.873 9.938 -0.310 1.00 0.00 H new ATOM 0 HA MET A 4 13.888 11.361 2.252 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.463 10.592 2.596 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.711 12.016 1.605 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.111 10.813 0.403 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.603 10.414 -0.425 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.079 7.651 2.248 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.131 8.830 3.067 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.853 9.394 1.964 1.00 0.00 H new ATOM 58 N PRO A 5 13.662 9.013 3.516 1.00 0.00 N ATOM 59 CA PRO A 5 13.983 7.705 4.139 1.00 0.00 C ATOM 60 C PRO A 5 13.233 6.516 3.526 1.00 0.00 C ATOM 61 O PRO A 5 12.208 6.683 2.865 1.00 0.00 O ATOM 62 CB PRO A 5 13.577 7.884 5.611 1.00 0.00 C ATOM 63 CG PRO A 5 12.778 9.138 5.658 1.00 0.00 C ATOM 64 CD PRO A 5 13.318 9.999 4.563 1.00 0.00 C ATOM 0 HA PRO A 5 15.035 7.463 3.989 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.992 7.034 5.962 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.455 7.955 6.254 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.718 8.933 5.509 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.875 9.629 6.627 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.580 10.720 4.213 1.00 0.00 H new ATOM 0 HD3 PRO A 5 14.190 10.567 4.887 1.00 0.00 H new ATOM 72 N LYS A 6 13.773 5.314 3.747 1.00 0.00 N ATOM 73 CA LYS A 6 13.202 4.084 3.218 1.00 0.00 C ATOM 74 C LYS A 6 11.962 3.657 4.001 1.00 0.00 C ATOM 75 O LYS A 6 11.820 3.972 5.185 1.00 0.00 O ATOM 76 CB LYS A 6 14.237 2.948 3.260 1.00 0.00 C ATOM 77 CG LYS A 6 15.670 3.341 2.887 1.00 0.00 C ATOM 78 CD LYS A 6 15.869 3.573 1.393 1.00 0.00 C ATOM 79 CE LYS A 6 15.776 5.045 1.040 1.00 0.00 C ATOM 80 NZ LYS A 6 16.048 5.294 -0.403 1.00 0.00 N ATOM 0 H LYS A 6 14.619 5.172 4.299 1.00 0.00 H new ATOM 0 HA LYS A 6 12.912 4.282 2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.245 2.526 4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.909 2.157 2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.941 4.248 3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.351 2.557 3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.842 3.186 1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.117 3.016 0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.782 5.415 1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.487 5.608 1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.899 5.884 -0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.199 4.387 -0.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.236 5.785 -0.830 1.00 0.00 H new ATOM 94 N LEU A 7 11.083 2.916 3.325 1.00 0.00 N ATOM 95 CA LEU A 7 9.857 2.403 3.932 1.00 0.00 C ATOM 96 C LEU A 7 9.898 0.883 3.961 1.00 0.00 C ATOM 97 O LEU A 7 9.403 0.250 4.898 1.00 0.00 O ATOM 98 CB LEU A 7 8.618 2.850 3.140 1.00 0.00 C ATOM 99 CG LEU A 7 8.390 4.362 3.026 1.00 0.00 C ATOM 100 CD1 LEU A 7 7.291 4.644 2.014 1.00 0.00 C ATOM 101 CD2 LEU A 7 8.039 4.971 4.379 1.00 0.00 C ATOM 0 H LEU A 7 11.201 2.656 2.346 1.00 0.00 H new ATOM 0 HA LEU A 7 9.790 2.800 4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.689 2.439 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.737 2.406 3.604 1.00 0.00 H new ATOM 0 HG LEU A 7 9.316 4.824 2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.134 5.720 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.583 4.250 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.367 4.164 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.883 6.044 4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.128 4.510 4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.855 4.795 5.080 1.00 0.00 H new ATOM 113 N ALA A 8 10.494 0.313 2.910 1.00 0.00 N ATOM 114 CA ALA A 8 10.621 -1.136 2.760 1.00 0.00 C ATOM 115 C ALA A 8 11.739 -1.479 1.774 1.00 0.00 C ATOM 116 O ALA A 8 12.468 -0.592 1.323 1.00 0.00 O ATOM 117 CB ALA A 8 9.296 -1.734 2.295 1.00 0.00 C ATOM 0 H ALA A 8 10.901 0.844 2.140 1.00 0.00 H new ATOM 0 HA ALA A 8 10.877 -1.565 3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.402 -2.813 2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.521 -1.518 3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.017 -1.299 1.335 1.00 0.00 H new ATOM 123 N ASP A 9 11.869 -2.768 1.444 1.00 0.00 N ATOM 124 CA ASP A 9 12.898 -3.226 0.511 1.00 0.00 C ATOM 125 C ASP A 9 12.313 -4.151 -0.559 1.00 0.00 C ATOM 126 O ASP A 9 12.632 -4.016 -1.744 1.00 0.00 O ATOM 127 CB ASP A 9 14.038 -3.930 1.266 1.00 0.00 C ATOM 128 CG ASP A 9 13.561 -5.069 2.153 1.00 0.00 C ATOM 129 OD1 ASP A 9 12.829 -4.802 3.130 1.00 0.00 O ATOM 130 OD2 ASP A 9 13.919 -6.230 1.868 1.00 0.00 O ATOM 0 H ASP A 9 11.274 -3.511 1.810 1.00 0.00 H new ATOM 0 HA ASP A 9 13.302 -2.348 0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.757 -4.318 0.544 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.565 -3.198 1.879 1.00 0.00 H new ATOM 135 N ARG A 10 11.458 -5.087 -0.134 1.00 0.00 N ATOM 136 CA ARG A 10 10.830 -6.037 -1.054 1.00 0.00 C ATOM 137 C ARG A 10 9.317 -6.089 -0.855 1.00 0.00 C ATOM 138 O ARG A 10 8.799 -5.716 0.205 1.00 0.00 O ATOM 139 CB ARG A 10 11.427 -7.435 -0.880 1.00 0.00 C ATOM 140 CG ARG A 10 12.893 -7.530 -1.272 1.00 0.00 C ATOM 141 CD ARG A 10 13.400 -8.960 -1.181 1.00 0.00 C ATOM 142 NE ARG A 10 14.808 -9.087 -1.576 1.00 0.00 N ATOM 143 CZ ARG A 10 15.850 -8.664 -0.848 1.00 0.00 C ATOM 144 NH1 ARG A 10 15.673 -8.118 0.352 1.00 0.00 N ATOM 145 NH2 ARG A 10 17.080 -8.802 -1.322 1.00 0.00 N ATOM 0 H ARG A 10 11.186 -5.206 0.842 1.00 0.00 H new ATOM 0 HA ARG A 10 11.030 -5.690 -2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.319 -7.739 0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.854 -8.142 -1.480 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.024 -7.160 -2.289 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.488 -6.889 -0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.280 -9.320 -0.159 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.789 -9.599 -1.818 1.00 0.00 H new ATOM 0 HE ARG A 10 15.008 -9.531 -2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.732 -8.016 0.732 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.478 -7.802 0.892 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.229 -9.228 -2.237 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.877 -8.482 -0.772 1.00 0.00 H new ATOM 159 N LYS A 11 8.618 -6.547 -1.896 1.00 0.00 N ATOM 160 CA LYS A 11 7.163 -6.655 -1.885 1.00 0.00 C ATOM 161 C LYS A 11 6.710 -8.025 -2.396 1.00 0.00 C ATOM 162 O LYS A 11 7.529 -8.831 -2.845 1.00 0.00 O ATOM 163 CB LYS A 11 6.568 -5.541 -2.753 1.00 0.00 C ATOM 164 CG LYS A 11 7.122 -5.521 -4.170 1.00 0.00 C ATOM 165 CD LYS A 11 6.860 -4.200 -4.858 1.00 0.00 C ATOM 166 CE LYS A 11 7.555 -4.136 -6.207 1.00 0.00 C ATOM 167 NZ LYS A 11 7.330 -2.830 -6.889 1.00 0.00 N ATOM 0 H LYS A 11 9.048 -6.853 -2.769 1.00 0.00 H new ATOM 0 HA LYS A 11 6.809 -6.549 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.486 -5.662 -2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.763 -4.578 -2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.195 -5.710 -4.143 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.671 -6.327 -4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.787 -4.063 -4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.209 -3.383 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.625 -4.295 -6.072 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.191 -4.944 -6.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.821 -2.828 -7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.311 -2.689 -7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.701 -2.060 -6.296 1.00 0.00 H new ATOM 181 N LEU A 12 5.400 -8.270 -2.330 1.00 0.00 N ATOM 182 CA LEU A 12 4.820 -9.530 -2.787 1.00 0.00 C ATOM 183 C LEU A 12 3.813 -9.282 -3.905 1.00 0.00 C ATOM 184 O LEU A 12 2.834 -8.559 -3.713 1.00 0.00 O ATOM 185 CB LEU A 12 4.138 -10.267 -1.624 1.00 0.00 C ATOM 186 CG LEU A 12 5.058 -10.697 -0.471 1.00 0.00 C ATOM 187 CD1 LEU A 12 4.231 -11.190 0.707 1.00 0.00 C ATOM 188 CD2 LEU A 12 6.030 -11.782 -0.922 1.00 0.00 C ATOM 0 H LEU A 12 4.719 -7.606 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 12 5.627 -10.153 -3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.357 -9.623 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.645 -11.155 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 12 5.638 -9.829 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.895 -11.492 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.577 -10.389 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.627 -12.043 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.669 -12.068 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.470 -12.652 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.646 -11.403 -1.737 1.00 0.00 H new ATOM 200 N CYS A 13 4.071 -9.882 -5.070 1.00 0.00 N ATOM 201 CA CYS A 13 3.202 -9.739 -6.238 1.00 0.00 C ATOM 202 C CYS A 13 2.704 -11.104 -6.717 1.00 0.00 C ATOM 203 O CYS A 13 3.054 -12.137 -6.139 1.00 0.00 O ATOM 204 CB CYS A 13 3.960 -9.052 -7.378 1.00 0.00 C ATOM 205 SG CYS A 13 4.650 -7.421 -6.956 1.00 0.00 S ATOM 0 H CYS A 13 4.884 -10.477 -5.229 1.00 0.00 H new ATOM 0 HA CYS A 13 2.345 -9.131 -5.947 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.773 -9.703 -7.700 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.287 -8.938 -8.227 1.00 0.00 H new ATOM 210 N ALA A 14 1.900 -11.097 -7.787 1.00 0.00 N ATOM 211 CA ALA A 14 1.363 -12.328 -8.366 1.00 0.00 C ATOM 212 C ALA A 14 2.406 -13.002 -9.255 1.00 0.00 C ATOM 213 O ALA A 14 2.403 -14.225 -9.414 1.00 0.00 O ATOM 214 CB ALA A 14 0.095 -12.035 -9.156 1.00 0.00 C ATOM 0 H ALA A 14 1.608 -10.247 -8.269 1.00 0.00 H new ATOM 0 HA ALA A 14 1.113 -13.011 -7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.292 -12.962 -9.580 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.653 -11.599 -8.494 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.321 -11.334 -9.960 1.00 0.00 H new ATOM 220 N ASP A 15 3.303 -12.186 -9.817 1.00 0.00 N ATOM 221 CA ASP A 15 4.379 -12.672 -10.682 1.00 0.00 C ATOM 222 C ASP A 15 5.609 -11.771 -10.563 1.00 0.00 C ATOM 223 O ASP A 15 5.563 -10.737 -9.892 1.00 0.00 O ATOM 224 CB ASP A 15 3.914 -12.771 -12.143 1.00 0.00 C ATOM 225 CG ASP A 15 3.186 -11.532 -12.628 1.00 0.00 C ATOM 226 OD1 ASP A 15 3.777 -10.435 -12.593 1.00 0.00 O ATOM 227 OD2 ASP A 15 2.023 -11.665 -13.054 1.00 0.00 O ATOM 0 H ASP A 15 3.303 -11.175 -9.685 1.00 0.00 H new ATOM 0 HA ASP A 15 4.652 -13.674 -10.352 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.780 -12.948 -12.781 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.258 -13.635 -12.250 1.00 0.00 H new ATOM 232 N GLN A 16 6.708 -12.181 -11.208 1.00 0.00 N ATOM 233 CA GLN A 16 7.967 -11.429 -11.165 1.00 0.00 C ATOM 234 C GLN A 16 7.869 -10.058 -11.852 1.00 0.00 C ATOM 235 O GLN A 16 8.761 -9.220 -11.693 1.00 0.00 O ATOM 236 CB GLN A 16 9.100 -12.249 -11.785 1.00 0.00 C ATOM 237 CG GLN A 16 8.895 -12.550 -13.253 1.00 0.00 C ATOM 238 CD GLN A 16 10.060 -13.297 -13.868 1.00 0.00 C ATOM 239 OE1 GLN A 16 10.319 -14.455 -13.537 1.00 0.00 O ATOM 240 NE2 GLN A 16 10.784 -12.628 -14.759 1.00 0.00 N ATOM 0 H GLN A 16 6.750 -13.033 -11.768 1.00 0.00 H new ATOM 0 HA GLN A 16 8.183 -11.242 -10.113 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.039 -11.709 -11.661 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.198 -13.188 -11.240 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.986 -13.140 -13.375 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.743 -11.615 -13.793 1.00 0.00 H new ATOM 0 HE21 GLN A 16 10.533 -11.670 -15.004 1.00 0.00 H new ATOM 0 HE22 GLN A 16 11.590 -13.072 -15.198 1.00 0.00 H new ATOM 249 N GLU A 17 6.795 -9.838 -12.614 1.00 0.00 N ATOM 250 CA GLU A 17 6.600 -8.571 -13.322 1.00 0.00 C ATOM 251 C GLU A 17 5.839 -7.559 -12.472 1.00 0.00 C ATOM 252 O GLU A 17 5.897 -6.358 -12.751 1.00 0.00 O ATOM 253 CB GLU A 17 5.822 -8.787 -14.626 1.00 0.00 C ATOM 254 CG GLU A 17 6.445 -9.806 -15.566 1.00 0.00 C ATOM 255 CD GLU A 17 5.701 -9.943 -16.887 1.00 0.00 C ATOM 256 OE1 GLU A 17 4.684 -9.241 -17.085 1.00 0.00 O ATOM 257 OE2 GLU A 17 6.138 -10.757 -17.728 1.00 0.00 O ATOM 0 H GLU A 17 6.049 -10.519 -12.756 1.00 0.00 H new ATOM 0 HA GLU A 17 7.594 -8.181 -13.539 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.809 -9.107 -14.382 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.738 -7.833 -15.147 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.478 -9.521 -15.767 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.473 -10.777 -15.071 1.00 0.00 H new ATOM 264 N CYS A 18 5.094 -8.058 -11.463 1.00 0.00 N ATOM 265 CA CYS A 18 4.268 -7.205 -10.590 1.00 0.00 C ATOM 266 C CYS A 18 3.272 -6.404 -11.439 1.00 0.00 C ATOM 267 O CYS A 18 2.904 -5.272 -11.110 1.00 0.00 O ATOM 268 CB CYS A 18 5.133 -6.270 -9.724 1.00 0.00 C ATOM 269 SG CYS A 18 6.048 -7.114 -8.396 1.00 0.00 S ATOM 0 H CYS A 18 5.049 -9.051 -11.234 1.00 0.00 H new ATOM 0 HA CYS A 18 3.714 -7.849 -9.907 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.844 -5.753 -10.368 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.492 -5.508 -9.280 1.00 0.00 H new ATOM 274 N SER A 19 2.863 -7.022 -12.552 1.00 0.00 N ATOM 275 CA SER A 19 1.936 -6.420 -13.503 1.00 0.00 C ATOM 276 C SER A 19 0.508 -6.947 -13.320 1.00 0.00 C ATOM 277 O SER A 19 -0.440 -6.407 -13.895 1.00 0.00 O ATOM 278 CB SER A 19 2.438 -6.686 -14.923 1.00 0.00 C ATOM 279 OG SER A 19 1.488 -6.298 -15.900 1.00 0.00 O ATOM 0 H SER A 19 3.170 -7.958 -12.815 1.00 0.00 H new ATOM 0 HA SER A 19 1.898 -5.346 -13.322 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.369 -6.144 -15.086 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.663 -7.747 -15.036 1.00 0.00 H new ATOM 0 HG SER A 19 0.589 -6.328 -15.512 1.00 0.00 H new ATOM 285 N HIS A 20 0.365 -8.001 -12.513 1.00 0.00 N ATOM 286 CA HIS A 20 -0.943 -8.603 -12.246 1.00 0.00 C ATOM 287 C HIS A 20 -1.541 -8.109 -10.920 1.00 0.00 C ATOM 288 O HIS A 20 -0.798 -7.809 -9.984 1.00 0.00 O ATOM 289 CB HIS A 20 -0.829 -10.131 -12.204 1.00 0.00 C ATOM 290 CG HIS A 20 -1.045 -10.833 -13.515 1.00 0.00 C ATOM 291 ND1 HIS A 20 -1.114 -12.204 -13.605 1.00 0.00 N ATOM 292 CD2 HIS A 20 -1.228 -10.369 -14.779 1.00 0.00 C ATOM 293 CE1 HIS A 20 -1.334 -12.557 -14.853 1.00 0.00 C ATOM 294 NE2 HIS A 20 -1.407 -11.463 -15.590 1.00 0.00 N ATOM 0 H HIS A 20 1.141 -8.456 -12.032 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.605 -8.300 -13.057 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.161 -10.394 -11.830 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.553 -10.512 -11.484 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.232 -9.334 -15.088 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.437 -13.570 -15.214 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.570 -11.435 -16.597 1.00 0.00 H new ATOM 303 N PRO A 21 -2.902 -8.036 -10.808 1.00 0.00 N ATOM 304 CA PRO A 21 -3.573 -7.602 -9.591 1.00 0.00 C ATOM 305 C PRO A 21 -3.897 -8.784 -8.673 1.00 0.00 C ATOM 306 O PRO A 21 -4.612 -9.712 -9.069 1.00 0.00 O ATOM 307 CB PRO A 21 -4.854 -6.948 -10.121 1.00 0.00 C ATOM 308 CG PRO A 21 -5.102 -7.545 -11.479 1.00 0.00 C ATOM 309 CD PRO A 21 -3.898 -8.383 -11.841 1.00 0.00 C ATOM 0 HA PRO A 21 -2.963 -6.932 -8.985 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.694 -7.140 -9.453 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.740 -5.866 -10.187 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.004 -8.157 -11.469 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.258 -6.760 -12.219 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.133 -9.447 -11.828 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.534 -8.149 -12.842 1.00 0.00 H new ATOM 317 N ILE A 22 -3.354 -8.754 -7.456 1.00 0.00 N ATOM 318 CA ILE A 22 -3.572 -9.830 -6.492 1.00 0.00 C ATOM 319 C ILE A 22 -5.038 -9.920 -6.074 1.00 0.00 C ATOM 320 O ILE A 22 -5.692 -10.922 -6.341 1.00 0.00 O ATOM 321 CB ILE A 22 -2.689 -9.673 -5.227 1.00 0.00 C ATOM 322 CG1 ILE A 22 -1.210 -9.545 -5.623 1.00 0.00 C ATOM 323 CG2 ILE A 22 -2.895 -10.866 -4.283 1.00 0.00 C ATOM 324 CD1 ILE A 22 -0.306 -9.088 -4.495 1.00 0.00 C ATOM 0 H ILE A 22 -2.761 -7.997 -7.116 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.287 -10.751 -7.000 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.985 -8.764 -4.703 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.858 -10.510 -5.989 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.126 -8.840 -6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.269 -10.743 -3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.942 -10.916 -3.983 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.621 -11.788 -4.796 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.721 -9.023 -4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.630 -8.109 -4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.358 -9.804 -3.675 1.00 0.00 H new ATOM 336 N SER A 23 -5.542 -8.885 -5.403 1.00 0.00 N ATOM 337 CA SER A 23 -6.926 -8.891 -4.939 1.00 0.00 C ATOM 338 C SER A 23 -7.614 -7.548 -5.151 1.00 0.00 C ATOM 339 O SER A 23 -7.016 -6.490 -4.954 1.00 0.00 O ATOM 340 CB SER A 23 -6.973 -9.268 -3.458 1.00 0.00 C ATOM 341 OG SER A 23 -6.171 -8.394 -2.683 1.00 0.00 O ATOM 0 H SER A 23 -5.018 -8.041 -5.171 1.00 0.00 H new ATOM 0 HA SER A 23 -7.465 -9.630 -5.531 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.003 -9.232 -3.103 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.627 -10.294 -3.330 1.00 0.00 H new ATOM 0 HG SER A 23 -5.826 -8.874 -1.901 1.00 0.00 H new ATOM 347 N MET A 24 -8.890 -7.618 -5.533 1.00 0.00 N ATOM 348 CA MET A 24 -9.706 -6.432 -5.755 1.00 0.00 C ATOM 349 C MET A 24 -10.389 -6.053 -4.447 1.00 0.00 C ATOM 350 O MET A 24 -11.092 -6.872 -3.847 1.00 0.00 O ATOM 351 CB MET A 24 -10.729 -6.702 -6.861 1.00 0.00 C ATOM 352 CG MET A 24 -11.514 -5.474 -7.294 1.00 0.00 C ATOM 353 SD MET A 24 -13.074 -5.273 -6.404 1.00 0.00 S ATOM 354 CE MET A 24 -14.015 -6.664 -7.031 1.00 0.00 C ATOM 0 H MET A 24 -9.382 -8.497 -5.696 1.00 0.00 H new ATOM 0 HA MET A 24 -9.081 -5.599 -6.079 1.00 0.00 H new ATOM 0 HB2 MET A 24 -10.211 -7.113 -7.728 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.428 -7.464 -6.516 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.900 -4.586 -7.142 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.719 -5.540 -8.362 1.00 0.00 H new ATOM 0 HE1 MET A 24 -15.081 -6.457 -6.932 1.00 0.00 H new ATOM 0 HE2 MET A 24 -13.772 -6.824 -8.082 1.00 0.00 H new ATOM 0 HE3 MET A 24 -13.765 -7.559 -6.461 1.00 0.00 H new ATOM 364 N ALA A 25 -10.150 -4.826 -3.992 1.00 0.00 N ATOM 365 CA ALA A 25 -10.714 -4.356 -2.730 1.00 0.00 C ATOM 366 C ALA A 25 -11.543 -3.091 -2.884 1.00 0.00 C ATOM 367 O ALA A 25 -11.337 -2.301 -3.808 1.00 0.00 O ATOM 368 CB ALA A 25 -9.597 -4.110 -1.734 1.00 0.00 C ATOM 0 H ALA A 25 -9.571 -4.141 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.385 -5.137 -2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.020 -3.759 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.051 -5.038 -1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.916 -3.356 -2.129 1.00 0.00 H new ATOM 374 N VAL A 26 -12.474 -2.909 -1.946 1.00 0.00 N ATOM 375 CA VAL A 26 -13.351 -1.730 -1.929 1.00 0.00 C ATOM 376 C VAL A 26 -12.894 -0.741 -0.843 1.00 0.00 C ATOM 377 O VAL A 26 -12.603 -1.146 0.283 1.00 0.00 O ATOM 378 CB VAL A 26 -14.831 -2.131 -1.684 1.00 0.00 C ATOM 379 CG1 VAL A 26 -15.753 -0.919 -1.778 1.00 0.00 C ATOM 380 CG2 VAL A 26 -15.268 -3.203 -2.672 1.00 0.00 C ATOM 0 H VAL A 26 -12.643 -3.565 -1.183 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.283 -1.251 -2.906 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.903 -2.536 -0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.783 -1.231 -1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.464 -0.183 -1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.672 -0.477 -2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.308 -3.470 -2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -15.170 -2.823 -3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.640 -4.086 -2.553 1.00 0.00 H new ATOM 390 N ALA A 27 -12.830 0.555 -1.192 1.00 0.00 N ATOM 391 CA ALA A 27 -12.403 1.599 -0.248 1.00 0.00 C ATOM 392 C ALA A 27 -13.534 2.002 0.699 1.00 0.00 C ATOM 393 O ALA A 27 -14.672 2.215 0.266 1.00 0.00 O ATOM 394 CB ALA A 27 -11.886 2.815 -0.999 1.00 0.00 C ATOM 0 H ALA A 27 -13.069 0.903 -2.120 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.596 1.185 0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.574 3.578 -0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.035 2.527 -1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.677 3.214 -1.634 1.00 0.00 H new ATOM 400 N LEU A 28 -13.208 2.095 1.995 1.00 0.00 N ATOM 401 CA LEU A 28 -14.189 2.452 3.027 1.00 0.00 C ATOM 402 C LEU A 28 -14.214 3.953 3.326 1.00 0.00 C ATOM 403 O LEU A 28 -15.205 4.452 3.864 1.00 0.00 O ATOM 404 CB LEU A 28 -13.914 1.688 4.342 1.00 0.00 C ATOM 405 CG LEU A 28 -14.203 0.169 4.363 1.00 0.00 C ATOM 406 CD1 LEU A 28 -15.629 -0.137 3.909 1.00 0.00 C ATOM 407 CD2 LEU A 28 -13.191 -0.601 3.527 1.00 0.00 C ATOM 0 H LEU A 28 -12.268 1.927 2.354 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.161 2.167 2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.866 1.834 4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.506 2.153 5.130 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.105 -0.163 5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.796 -1.214 3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.337 0.357 4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -15.773 0.227 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.423 -1.665 3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.234 -0.255 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.189 -0.435 3.924 1.00 0.00 H new ATOM 419 N GLN A 29 -13.128 4.665 3.003 1.00 0.00 N ATOM 420 CA GLN A 29 -13.056 6.109 3.269 1.00 0.00 C ATOM 421 C GLN A 29 -12.119 6.832 2.298 1.00 0.00 C ATOM 422 O GLN A 29 -11.542 6.215 1.399 1.00 0.00 O ATOM 423 CB GLN A 29 -12.618 6.366 4.719 1.00 0.00 C ATOM 424 CG GLN A 29 -11.318 5.674 5.114 1.00 0.00 C ATOM 425 CD GLN A 29 -10.844 6.008 6.530 1.00 0.00 C ATOM 426 OE1 GLN A 29 -9.878 5.419 7.017 1.00 0.00 O ATOM 427 NE2 GLN A 29 -11.500 6.958 7.202 1.00 0.00 N ATOM 0 H GLN A 29 -12.296 4.272 2.563 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.057 6.513 3.117 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.504 7.440 4.867 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.411 6.035 5.390 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.452 4.595 5.031 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.539 5.954 4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.297 7.429 6.773 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.204 7.213 8.144 1.00 0.00 H new ATOM 436 N ASP A 30 -11.982 8.150 2.497 1.00 0.00 N ATOM 437 CA ASP A 30 -11.127 8.984 1.654 1.00 0.00 C ATOM 438 C ASP A 30 -9.705 9.061 2.201 1.00 0.00 C ATOM 439 O ASP A 30 -9.476 8.884 3.400 1.00 0.00 O ATOM 440 CB ASP A 30 -11.701 10.400 1.530 1.00 0.00 C ATOM 441 CG ASP A 30 -12.974 10.454 0.707 1.00 0.00 C ATOM 442 OD1 ASP A 30 -13.974 9.834 1.116 1.00 0.00 O ATOM 443 OD2 ASP A 30 -12.966 11.119 -0.350 1.00 0.00 O ATOM 0 H ASP A 30 -12.458 8.661 3.241 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.096 8.518 0.669 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.902 10.793 2.527 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.954 11.051 1.076 1.00 0.00 H new ATOM 448 N TYR A 31 -8.762 9.336 1.299 1.00 0.00 N ATOM 449 CA TYR A 31 -7.352 9.455 1.643 1.00 0.00 C ATOM 450 C TYR A 31 -6.662 10.420 0.679 1.00 0.00 C ATOM 451 O TYR A 31 -6.938 10.400 -0.522 1.00 0.00 O ATOM 452 CB TYR A 31 -6.665 8.084 1.575 1.00 0.00 C ATOM 453 CG TYR A 31 -5.344 8.028 2.316 1.00 0.00 C ATOM 454 CD1 TYR A 31 -5.299 8.005 3.707 1.00 0.00 C ATOM 455 CD2 TYR A 31 -4.143 7.999 1.622 1.00 0.00 C ATOM 456 CE1 TYR A 31 -4.094 7.958 4.380 1.00 0.00 C ATOM 457 CE2 TYR A 31 -2.936 7.952 2.288 1.00 0.00 C ATOM 458 CZ TYR A 31 -2.916 7.932 3.667 1.00 0.00 C ATOM 459 OH TYR A 31 -1.713 7.885 4.333 1.00 0.00 O ATOM 0 H TYR A 31 -8.959 9.482 0.309 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.275 9.839 2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.336 7.330 1.988 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.497 7.823 0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.221 8.024 4.269 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.153 8.013 0.542 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.076 7.942 5.460 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.010 7.931 1.732 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.829 7.415 5.185 1.00 0.00 H new ATOM 469 N MET A 32 -5.760 11.249 1.207 1.00 0.00 N ATOM 470 CA MET A 32 -5.022 12.211 0.386 1.00 0.00 C ATOM 471 C MET A 32 -3.551 11.815 0.293 1.00 0.00 C ATOM 472 O MET A 32 -2.950 11.409 1.289 1.00 0.00 O ATOM 473 CB MET A 32 -5.152 13.625 0.960 1.00 0.00 C ATOM 474 CG MET A 32 -6.580 14.155 0.984 1.00 0.00 C ATOM 475 SD MET A 32 -7.301 14.331 -0.659 1.00 0.00 S ATOM 476 CE MET A 32 -8.929 14.954 -0.249 1.00 0.00 C ATOM 0 H MET A 32 -5.523 11.274 2.199 1.00 0.00 H new ATOM 0 HA MET A 32 -5.452 12.203 -0.616 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.756 13.632 1.975 1.00 0.00 H new ATOM 0 HB3 MET A 32 -4.533 14.303 0.372 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.200 13.482 1.576 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.593 15.123 1.485 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.499 15.114 -1.164 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.448 14.230 0.379 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.833 15.898 0.288 1.00 0.00 H new ATOM 486 N ALA A 33 -2.988 11.920 -0.914 1.00 0.00 N ATOM 487 CA ALA A 33 -1.590 11.558 -1.157 1.00 0.00 C ATOM 488 C ALA A 33 -0.618 12.700 -0.819 1.00 0.00 C ATOM 489 O ALA A 33 -0.601 13.717 -1.518 1.00 0.00 O ATOM 490 CB ALA A 33 -1.406 11.150 -2.608 1.00 0.00 C ATOM 0 H ALA A 33 -3.482 12.254 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.357 10.722 -0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.364 10.882 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.042 10.293 -2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.680 11.982 -3.257 1.00 0.00 H new ATOM 496 N PRO A 34 0.219 12.558 0.249 1.00 0.00 N ATOM 497 CA PRO A 34 1.186 13.588 0.635 1.00 0.00 C ATOM 498 C PRO A 34 2.440 13.563 -0.248 1.00 0.00 C ATOM 499 O PRO A 34 2.768 14.560 -0.896 1.00 0.00 O ATOM 500 CB PRO A 34 1.547 13.232 2.090 1.00 0.00 C ATOM 501 CG PRO A 34 0.687 12.067 2.455 1.00 0.00 C ATOM 502 CD PRO A 34 0.306 11.409 1.164 1.00 0.00 C ATOM 0 HA PRO A 34 0.773 14.591 0.524 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.604 12.980 2.179 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.363 14.076 2.755 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.225 11.374 3.102 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.198 12.392 3.002 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.053 10.685 0.839 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.642 10.877 1.242 1.00 0.00 H new ATOM 510 N ASP A 35 3.137 12.419 -0.259 1.00 0.00 N ATOM 511 CA ASP A 35 4.360 12.253 -1.048 1.00 0.00 C ATOM 512 C ASP A 35 4.071 11.694 -2.448 1.00 0.00 C ATOM 513 O ASP A 35 2.944 11.286 -2.751 1.00 0.00 O ATOM 514 CB ASP A 35 5.350 11.358 -0.298 1.00 0.00 C ATOM 515 CG ASP A 35 4.777 9.993 0.024 1.00 0.00 C ATOM 516 OD1 ASP A 35 4.588 9.194 -0.914 1.00 0.00 O ATOM 517 OD2 ASP A 35 4.515 9.727 1.216 1.00 0.00 O ATOM 0 H ASP A 35 2.871 11.591 0.274 1.00 0.00 H new ATOM 0 HA ASP A 35 4.804 13.239 -1.185 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.251 11.237 -0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.649 11.850 0.628 1.00 0.00 H new ATOM 522 N CYS A 36 5.109 11.698 -3.295 1.00 0.00 N ATOM 523 CA CYS A 36 5.016 11.228 -4.683 1.00 0.00 C ATOM 524 C CYS A 36 4.645 9.744 -4.814 1.00 0.00 C ATOM 525 O CYS A 36 4.121 9.337 -5.854 1.00 0.00 O ATOM 526 CB CYS A 36 6.350 11.469 -5.400 1.00 0.00 C ATOM 527 SG CYS A 36 7.694 10.358 -4.859 1.00 0.00 S ATOM 0 H CYS A 36 6.039 12.028 -3.036 1.00 0.00 H new ATOM 0 HA CYS A 36 4.209 11.799 -5.141 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.201 11.347 -6.473 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.658 12.502 -5.236 1.00 0.00 H new ATOM 532 N ARG A 37 4.952 8.927 -3.799 1.00 0.00 N ATOM 533 CA ARG A 37 4.673 7.485 -3.883 1.00 0.00 C ATOM 534 C ARG A 37 3.295 7.099 -3.345 1.00 0.00 C ATOM 535 O ARG A 37 2.986 5.911 -3.290 1.00 0.00 O ATOM 536 CB ARG A 37 5.724 6.686 -3.110 1.00 0.00 C ATOM 537 CG ARG A 37 7.155 7.145 -3.322 1.00 0.00 C ATOM 538 CD ARG A 37 8.083 6.501 -2.310 1.00 0.00 C ATOM 539 NE ARG A 37 7.555 6.629 -0.950 1.00 0.00 N ATOM 540 CZ ARG A 37 7.395 7.784 -0.292 1.00 0.00 C ATOM 541 NH1 ARG A 37 7.843 8.932 -0.794 1.00 0.00 N ATOM 542 NH2 ARG A 37 6.791 7.785 0.887 1.00 0.00 N ATOM 0 H ARG A 37 5.385 9.229 -2.926 1.00 0.00 H new ATOM 0 HA ARG A 37 4.702 7.246 -4.946 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.493 6.742 -2.046 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.647 5.637 -3.398 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.478 6.890 -4.332 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.210 8.230 -3.234 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.216 5.447 -2.554 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.067 6.967 -2.366 1.00 0.00 H new ATOM 0 HE ARG A 37 7.288 5.771 -0.466 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.319 8.943 -1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.711 9.801 -0.277 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.452 6.910 1.287 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.665 8.661 1.395 1.00 0.00 H new ATOM 556 N PHE A 38 2.474 8.068 -2.927 1.00 0.00 N ATOM 557 CA PHE A 38 1.148 7.738 -2.381 1.00 0.00 C ATOM 558 C PHE A 38 0.012 8.057 -3.354 1.00 0.00 C ATOM 559 O PHE A 38 0.202 8.781 -4.334 1.00 0.00 O ATOM 560 CB PHE A 38 0.930 8.448 -1.036 1.00 0.00 C ATOM 561 CG PHE A 38 1.386 7.661 0.178 1.00 0.00 C ATOM 562 CD1 PHE A 38 2.623 7.019 0.216 1.00 0.00 C ATOM 563 CD2 PHE A 38 0.566 7.568 1.289 1.00 0.00 C ATOM 564 CE1 PHE A 38 3.020 6.310 1.333 1.00 0.00 C ATOM 565 CE2 PHE A 38 0.961 6.858 2.409 1.00 0.00 C ATOM 566 CZ PHE A 38 2.189 6.229 2.430 1.00 0.00 C ATOM 0 H PHE A 38 2.693 9.064 -2.953 1.00 0.00 H new ATOM 0 HA PHE A 38 1.128 6.660 -2.222 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.459 9.401 -1.054 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.131 8.674 -0.928 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.280 7.077 -0.639 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.397 8.057 1.282 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.982 5.819 1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.308 6.796 3.267 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.498 5.675 3.304 1.00 0.00 H new ATOM 576 N LEU A 39 -1.169 7.484 -3.072 1.00 0.00 N ATOM 577 CA LEU A 39 -2.363 7.670 -3.910 1.00 0.00 C ATOM 578 C LEU A 39 -3.482 8.414 -3.181 1.00 0.00 C ATOM 579 O LEU A 39 -3.620 8.308 -1.959 1.00 0.00 O ATOM 580 CB LEU A 39 -2.910 6.309 -4.356 1.00 0.00 C ATOM 581 CG LEU A 39 -2.130 5.598 -5.461 1.00 0.00 C ATOM 582 CD1 LEU A 39 -2.476 4.119 -5.474 1.00 0.00 C ATOM 583 CD2 LEU A 39 -2.440 6.215 -6.816 1.00 0.00 C ATOM 0 H LEU A 39 -1.322 6.883 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.049 8.268 -4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.947 5.653 -3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.937 6.447 -4.695 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.065 5.714 -5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.915 3.621 -6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.218 3.676 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.544 3.997 -5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.875 5.695 -7.590 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.506 6.124 -7.022 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.161 7.269 -6.809 1.00 0.00 H new ATOM 595 N THR A 40 -4.305 9.126 -3.960 1.00 0.00 N ATOM 596 CA THR A 40 -5.457 9.853 -3.428 1.00 0.00 C ATOM 597 C THR A 40 -6.717 9.057 -3.769 1.00 0.00 C ATOM 598 O THR A 40 -7.091 8.940 -4.939 1.00 0.00 O ATOM 599 CB THR A 40 -5.526 11.275 -4.006 1.00 0.00 C ATOM 600 OG1 THR A 40 -4.313 11.968 -3.773 1.00 0.00 O ATOM 601 CG2 THR A 40 -6.644 12.117 -3.420 1.00 0.00 C ATOM 0 H THR A 40 -4.190 9.212 -4.970 1.00 0.00 H new ATOM 0 HA THR A 40 -5.366 9.957 -2.347 1.00 0.00 H new ATOM 0 HB THR A 40 -5.715 11.139 -5.071 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.375 12.871 -4.149 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.631 13.107 -3.875 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.603 11.639 -3.620 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.503 12.211 -2.343 1.00 0.00 H new ATOM 609 N ILE A 41 -7.329 8.467 -2.743 1.00 0.00 N ATOM 610 CA ILE A 41 -8.513 7.621 -2.924 1.00 0.00 C ATOM 611 C ILE A 41 -9.778 8.264 -2.338 1.00 0.00 C ATOM 612 O ILE A 41 -9.707 9.034 -1.386 1.00 0.00 O ATOM 613 CB ILE A 41 -8.264 6.230 -2.268 1.00 0.00 C ATOM 614 CG1 ILE A 41 -6.966 5.620 -2.827 1.00 0.00 C ATOM 615 CG2 ILE A 41 -9.443 5.284 -2.505 1.00 0.00 C ATOM 616 CD1 ILE A 41 -6.460 4.409 -2.067 1.00 0.00 C ATOM 0 H ILE A 41 -7.025 8.558 -1.774 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.679 7.502 -3.995 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.164 6.370 -1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.131 5.337 -3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.190 6.385 -2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.238 4.322 -2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.347 5.714 -2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.585 5.141 -3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.543 4.046 -2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.259 4.687 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.215 3.623 -2.091 1.00 0.00 H new ATOM 628 N HIS A 42 -10.934 7.921 -2.918 1.00 0.00 N ATOM 629 CA HIS A 42 -12.228 8.428 -2.461 1.00 0.00 C ATOM 630 C HIS A 42 -13.085 7.273 -1.941 1.00 0.00 C ATOM 631 O HIS A 42 -12.915 6.127 -2.369 1.00 0.00 O ATOM 632 CB HIS A 42 -12.967 9.158 -3.596 1.00 0.00 C ATOM 633 CG HIS A 42 -12.372 10.483 -4.011 1.00 0.00 C ATOM 634 ND1 HIS A 42 -12.863 11.215 -5.072 1.00 0.00 N ATOM 635 CD2 HIS A 42 -11.342 11.215 -3.504 1.00 0.00 C ATOM 636 CE1 HIS A 42 -12.167 12.331 -5.200 1.00 0.00 C ATOM 637 NE2 HIS A 42 -11.240 12.355 -4.262 1.00 0.00 N ATOM 0 H HIS A 42 -10.996 7.286 -3.714 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.051 9.140 -1.655 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -12.996 8.504 -4.467 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.999 9.324 -3.287 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -10.721 10.948 -2.662 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -12.330 13.094 -5.946 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -10.558 13.100 -4.122 1.00 0.00 H new ATOM 646 N ARG A 43 -13.994 7.582 -1.010 1.00 0.00 N ATOM 647 CA ARG A 43 -14.877 6.573 -0.412 1.00 0.00 C ATOM 648 C ARG A 43 -15.802 5.942 -1.456 1.00 0.00 C ATOM 649 O ARG A 43 -16.545 6.647 -2.144 1.00 0.00 O ATOM 650 CB ARG A 43 -15.714 7.212 0.704 1.00 0.00 C ATOM 651 CG ARG A 43 -16.522 6.223 1.524 1.00 0.00 C ATOM 652 CD ARG A 43 -17.358 6.931 2.578 1.00 0.00 C ATOM 653 NE ARG A 43 -18.063 5.983 3.437 1.00 0.00 N ATOM 654 CZ ARG A 43 -18.890 6.333 4.428 1.00 0.00 C ATOM 655 NH1 ARG A 43 -19.135 7.613 4.697 1.00 0.00 N ATOM 656 NH2 ARG A 43 -19.478 5.391 5.155 1.00 0.00 N ATOM 0 H ARG A 43 -14.138 8.526 -0.653 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.250 5.783 0.002 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.050 7.762 1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.394 7.940 0.261 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.174 5.649 0.866 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.850 5.513 2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -16.714 7.565 3.188 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -18.080 7.586 2.090 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.915 4.988 3.270 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.689 8.345 4.144 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.769 7.862 5.457 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.298 4.407 4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.110 5.651 5.912 1.00 0.00 H new ATOM 670 N GLY A 44 -15.757 4.608 -1.552 1.00 0.00 N ATOM 671 CA GLY A 44 -16.606 3.897 -2.495 1.00 0.00 C ATOM 672 C GLY A 44 -15.907 3.514 -3.790 1.00 0.00 C ATOM 673 O GLY A 44 -16.457 2.740 -4.576 1.00 0.00 O ATOM 0 H GLY A 44 -15.147 4.012 -0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.984 2.993 -2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.470 4.519 -2.731 1.00 0.00 H new ATOM 677 N GLN A 45 -14.702 4.051 -4.023 1.00 0.00 N ATOM 678 CA GLN A 45 -13.956 3.741 -5.247 1.00 0.00 C ATOM 679 C GLN A 45 -13.364 2.336 -5.205 1.00 0.00 C ATOM 680 O GLN A 45 -13.107 1.787 -4.129 1.00 0.00 O ATOM 681 CB GLN A 45 -12.842 4.762 -5.493 1.00 0.00 C ATOM 682 CG GLN A 45 -13.351 6.133 -5.907 1.00 0.00 C ATOM 683 CD GLN A 45 -12.258 7.010 -6.493 1.00 0.00 C ATOM 684 OE1 GLN A 45 -11.244 7.279 -5.848 1.00 0.00 O ATOM 685 NE2 GLN A 45 -12.460 7.463 -7.725 1.00 0.00 N ATOM 0 H GLN A 45 -14.229 4.694 -3.388 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.669 3.791 -6.070 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.247 4.864 -4.585 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.177 4.382 -6.268 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.148 6.014 -6.641 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.786 6.632 -5.041 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.314 7.217 -8.225 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.761 8.057 -8.171 1.00 0.00 H new ATOM 694 N VAL A 46 -13.153 1.768 -6.395 1.00 0.00 N ATOM 695 CA VAL A 46 -12.589 0.426 -6.532 1.00 0.00 C ATOM 696 C VAL A 46 -11.071 0.512 -6.665 1.00 0.00 C ATOM 697 O VAL A 46 -10.565 1.076 -7.635 1.00 0.00 O ATOM 698 CB VAL A 46 -13.151 -0.314 -7.773 1.00 0.00 C ATOM 699 CG1 VAL A 46 -12.918 -1.811 -7.659 1.00 0.00 C ATOM 700 CG2 VAL A 46 -14.630 -0.016 -7.984 1.00 0.00 C ATOM 0 H VAL A 46 -13.367 2.222 -7.283 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.866 -0.133 -5.638 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.612 0.056 -8.645 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.320 -2.310 -8.541 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.848 -2.008 -7.587 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.418 -2.190 -6.768 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.987 -0.552 -8.863 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.194 -0.337 -7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.768 1.055 -8.132 1.00 0.00 H new ATOM 710 N VAL A 47 -10.350 -0.038 -5.687 1.00 0.00 N ATOM 711 CA VAL A 47 -8.885 -0.009 -5.705 1.00 0.00 C ATOM 712 C VAL A 47 -8.315 -1.418 -5.870 1.00 0.00 C ATOM 713 O VAL A 47 -8.618 -2.315 -5.080 1.00 0.00 O ATOM 714 CB VAL A 47 -8.308 0.632 -4.417 1.00 0.00 C ATOM 715 CG1 VAL A 47 -6.814 0.891 -4.560 1.00 0.00 C ATOM 716 CG2 VAL A 47 -9.041 1.921 -4.075 1.00 0.00 C ATOM 0 H VAL A 47 -10.753 -0.507 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.590 0.603 -6.557 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.456 -0.073 -3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.433 1.341 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.297 -0.051 -4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.641 1.569 -5.396 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.617 2.351 -3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.934 2.629 -4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.098 1.707 -3.916 1.00 0.00 H new ATOM 726 N TYR A 48 -7.486 -1.597 -6.901 1.00 0.00 N ATOM 727 CA TYR A 48 -6.865 -2.890 -7.179 1.00 0.00 C ATOM 728 C TYR A 48 -5.471 -2.968 -6.562 1.00 0.00 C ATOM 729 O TYR A 48 -4.626 -2.102 -6.805 1.00 0.00 O ATOM 730 CB TYR A 48 -6.767 -3.152 -8.694 1.00 0.00 C ATOM 731 CG TYR A 48 -8.090 -3.415 -9.395 1.00 0.00 C ATOM 732 CD1 TYR A 48 -9.088 -2.447 -9.465 1.00 0.00 C ATOM 733 CD2 TYR A 48 -8.330 -4.639 -10.009 1.00 0.00 C ATOM 734 CE1 TYR A 48 -10.280 -2.696 -10.116 1.00 0.00 C ATOM 735 CE2 TYR A 48 -9.519 -4.892 -10.665 1.00 0.00 C ATOM 736 CZ TYR A 48 -10.490 -3.918 -10.715 1.00 0.00 C ATOM 737 OH TYR A 48 -11.676 -4.165 -11.367 1.00 0.00 O ATOM 0 H TYR A 48 -7.230 -0.860 -7.557 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.500 -3.654 -6.731 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.290 -2.292 -9.165 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.112 -4.008 -8.856 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.927 -1.485 -9.002 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.572 -5.407 -9.972 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.045 -1.935 -10.155 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.686 -5.849 -11.136 1.00 0.00 H new ATOM 0 HH TYR A 48 -12.025 -3.328 -11.739 1.00 0.00 H new ATOM 747 N VAL A 49 -5.240 -4.017 -5.772 1.00 0.00 N ATOM 748 CA VAL A 49 -3.949 -4.230 -5.122 1.00 0.00 C ATOM 749 C VAL A 49 -3.024 -5.016 -6.050 1.00 0.00 C ATOM 750 O VAL A 49 -3.419 -6.049 -6.587 1.00 0.00 O ATOM 751 CB VAL A 49 -4.104 -4.994 -3.783 1.00 0.00 C ATOM 752 CG1 VAL A 49 -2.774 -5.087 -3.043 1.00 0.00 C ATOM 753 CG2 VAL A 49 -5.157 -4.334 -2.902 1.00 0.00 C ATOM 0 H VAL A 49 -5.935 -4.735 -5.567 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.519 -3.251 -4.908 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.433 -6.007 -4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.915 -5.628 -2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.049 -5.615 -3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.406 -4.084 -2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.249 -4.888 -1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.861 -3.307 -2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.116 -4.334 -3.419 1.00 0.00 H new ATOM 763 N PHE A 50 -1.802 -4.514 -6.237 1.00 0.00 N ATOM 764 CA PHE A 50 -0.826 -5.167 -7.109 1.00 0.00 C ATOM 765 C PHE A 50 0.339 -5.754 -6.316 1.00 0.00 C ATOM 766 O PHE A 50 0.952 -6.734 -6.749 1.00 0.00 O ATOM 767 CB PHE A 50 -0.293 -4.184 -8.165 1.00 0.00 C ATOM 768 CG PHE A 50 -1.218 -3.958 -9.338 1.00 0.00 C ATOM 769 CD1 PHE A 50 -2.437 -3.307 -9.184 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.863 -4.404 -10.601 1.00 0.00 C ATOM 771 CE1 PHE A 50 -3.274 -3.108 -10.265 1.00 0.00 C ATOM 772 CE2 PHE A 50 -1.697 -4.206 -11.684 1.00 0.00 C ATOM 773 CZ PHE A 50 -2.904 -3.558 -11.515 1.00 0.00 C ATOM 0 H PHE A 50 -1.466 -3.658 -5.796 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.343 -5.986 -7.610 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.097 -3.226 -7.684 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.662 -4.555 -8.538 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.733 -2.953 -8.208 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.079 -4.914 -10.740 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.218 -2.600 -10.131 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.405 -4.558 -12.662 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.558 -3.404 -12.361 1.00 0.00 H new ATOM 783 N SER A 51 0.652 -5.152 -5.163 1.00 0.00 N ATOM 784 CA SER A 51 1.759 -5.628 -4.329 1.00 0.00 C ATOM 785 C SER A 51 1.510 -5.387 -2.844 1.00 0.00 C ATOM 786 O SER A 51 0.655 -4.588 -2.469 1.00 0.00 O ATOM 787 CB SER A 51 3.063 -4.934 -4.737 1.00 0.00 C ATOM 788 OG SER A 51 2.951 -3.527 -4.625 1.00 0.00 O ATOM 0 H SER A 51 0.159 -4.341 -4.789 1.00 0.00 H new ATOM 0 HA SER A 51 1.837 -6.703 -4.488 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.879 -5.288 -4.107 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.314 -5.201 -5.764 1.00 0.00 H new ATOM 0 HG SER A 51 3.797 -3.109 -4.890 1.00 0.00 H new ATOM 794 N LYS A 52 2.292 -6.081 -2.007 1.00 0.00 N ATOM 795 CA LYS A 52 2.207 -5.943 -0.548 1.00 0.00 C ATOM 796 C LYS A 52 3.620 -5.797 0.013 1.00 0.00 C ATOM 797 O LYS A 52 4.398 -6.754 -0.008 1.00 0.00 O ATOM 798 CB LYS A 52 1.524 -7.155 0.111 1.00 0.00 C ATOM 799 CG LYS A 52 0.288 -7.664 -0.617 1.00 0.00 C ATOM 800 CD LYS A 52 -0.212 -8.971 -0.022 1.00 0.00 C ATOM 801 CE LYS A 52 -1.446 -9.479 -0.749 1.00 0.00 C ATOM 802 NZ LYS A 52 -1.943 -10.759 -0.173 1.00 0.00 N ATOM 0 H LYS A 52 2.996 -6.749 -2.319 1.00 0.00 H new ATOM 0 HA LYS A 52 1.603 -5.063 -0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.247 -7.968 0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.244 -6.887 1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.501 -6.914 -0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.520 -7.809 -1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.577 -9.721 -0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.444 -8.826 1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.234 -8.727 -0.696 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.212 -9.622 -1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.785 -11.072 -0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.201 -11.484 -0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.190 -10.617 0.827 1.00 0.00 H new ATOM 816 N LEU A 53 3.956 -4.598 0.497 1.00 0.00 N ATOM 817 CA LEU A 53 5.293 -4.335 1.040 1.00 0.00 C ATOM 818 C LEU A 53 5.530 -5.110 2.335 1.00 0.00 C ATOM 819 O LEU A 53 4.583 -5.428 3.056 1.00 0.00 O ATOM 820 CB LEU A 53 5.490 -2.831 1.281 1.00 0.00 C ATOM 821 CG LEU A 53 5.215 -1.920 0.070 1.00 0.00 C ATOM 822 CD1 LEU A 53 5.256 -0.458 0.489 1.00 0.00 C ATOM 823 CD2 LEU A 53 6.211 -2.179 -1.057 1.00 0.00 C ATOM 0 H LEU A 53 3.325 -3.797 0.524 1.00 0.00 H new ATOM 0 HA LEU A 53 6.022 -4.675 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.838 -2.524 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.515 -2.666 1.612 1.00 0.00 H new ATOM 0 HG LEU A 53 4.218 -2.152 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.060 0.174 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.497 -0.276 1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.240 -0.223 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.990 -1.520 -1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.223 -1.985 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.133 -3.217 -1.380 1.00 0.00 H new ATOM 835 N LYS A 54 6.803 -5.415 2.614 1.00 0.00 N ATOM 836 CA LYS A 54 7.184 -6.157 3.822 1.00 0.00 C ATOM 837 C LYS A 54 8.185 -5.358 4.656 1.00 0.00 C ATOM 838 O LYS A 54 8.587 -4.259 4.267 1.00 0.00 O ATOM 839 CB LYS A 54 7.791 -7.516 3.449 1.00 0.00 C ATOM 840 CG LYS A 54 6.834 -8.444 2.720 1.00 0.00 C ATOM 841 CD LYS A 54 7.514 -9.746 2.317 1.00 0.00 C ATOM 842 CE LYS A 54 7.700 -10.690 3.500 1.00 0.00 C ATOM 843 NZ LYS A 54 8.366 -11.960 3.097 1.00 0.00 N ATOM 0 H LYS A 54 7.589 -5.158 2.017 1.00 0.00 H new ATOM 0 HA LYS A 54 6.284 -6.319 4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.668 -7.351 2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.137 -8.009 4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.979 -8.662 3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.448 -7.944 1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.920 -10.241 1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.485 -9.525 1.875 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.295 -10.196 4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.729 -10.914 3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.474 -12.574 3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.786 -12.444 2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.303 -11.749 2.698 1.00 0.00 H new ATOM 857 N GLY A 55 8.584 -5.921 5.801 1.00 0.00 N ATOM 858 CA GLY A 55 9.539 -5.256 6.675 1.00 0.00 C ATOM 859 C GLY A 55 8.869 -4.460 7.777 1.00 0.00 C ATOM 860 O GLY A 55 7.952 -4.954 8.436 1.00 0.00 O ATOM 0 H GLY A 55 8.260 -6.828 6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.198 -6.002 7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.166 -4.590 6.082 1.00 0.00 H new ATOM 864 N ARG A 56 9.335 -3.223 7.975 1.00 0.00 N ATOM 865 CA ARG A 56 8.788 -2.340 9.005 1.00 0.00 C ATOM 866 C ARG A 56 7.426 -1.792 8.586 1.00 0.00 C ATOM 867 O ARG A 56 6.536 -1.616 9.421 1.00 0.00 O ATOM 868 CB ARG A 56 9.748 -1.174 9.296 1.00 0.00 C ATOM 869 CG ARG A 56 10.946 -1.529 10.179 1.00 0.00 C ATOM 870 CD ARG A 56 12.108 -2.144 9.397 1.00 0.00 C ATOM 871 NE ARG A 56 11.894 -3.558 9.064 1.00 0.00 N ATOM 872 CZ ARG A 56 11.917 -4.564 9.949 1.00 0.00 C ATOM 873 NH1 ARG A 56 12.183 -4.344 11.234 1.00 0.00 N ATOM 874 NH2 ARG A 56 11.683 -5.803 9.538 1.00 0.00 N ATOM 0 H ARG A 56 10.093 -2.811 7.432 1.00 0.00 H new ATOM 0 HA ARG A 56 8.666 -2.931 9.913 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.117 -0.782 8.348 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.187 -0.372 9.776 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.294 -0.630 10.687 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.626 -2.228 10.951 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.258 -1.579 8.477 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.023 -2.049 9.982 1.00 0.00 H new ATOM 0 HE ARG A 56 11.715 -3.792 8.087 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.374 -3.397 11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.196 -5.123 11.893 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.487 -5.985 8.554 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.699 -6.574 10.206 1.00 0.00 H new ATOM 888 N GLY A 57 7.275 -1.533 7.285 1.00 0.00 N ATOM 889 CA GLY A 57 6.022 -1.016 6.760 1.00 0.00 C ATOM 890 C GLY A 57 5.242 -2.076 6.012 1.00 0.00 C ATOM 891 O GLY A 57 4.778 -1.842 4.893 1.00 0.00 O ATOM 0 H GLY A 57 8.003 -1.674 6.585 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.416 -0.631 7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.226 -0.178 6.094 1.00 0.00 H new ATOM 895 N ARG A 58 5.107 -3.248 6.637 1.00 0.00 N ATOM 896 CA ARG A 58 4.389 -4.374 6.036 1.00 0.00 C ATOM 897 C ARG A 58 2.875 -4.143 5.992 1.00 0.00 C ATOM 898 O ARG A 58 2.145 -4.917 5.368 1.00 0.00 O ATOM 899 CB ARG A 58 4.713 -5.678 6.776 1.00 0.00 C ATOM 900 CG ARG A 58 4.373 -5.665 8.252 1.00 0.00 C ATOM 901 CD ARG A 58 4.757 -6.979 8.916 1.00 0.00 C ATOM 902 NE ARG A 58 4.421 -7.009 10.345 1.00 0.00 N ATOM 903 CZ ARG A 58 5.052 -6.306 11.297 1.00 0.00 C ATOM 904 NH1 ARG A 58 6.094 -5.532 11.003 1.00 0.00 N ATOM 905 NH2 ARG A 58 4.642 -6.391 12.555 1.00 0.00 N ATOM 0 H ARG A 58 5.487 -3.442 7.563 1.00 0.00 H new ATOM 0 HA ARG A 58 4.731 -4.457 5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.172 -6.495 6.299 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.776 -5.890 6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.894 -4.842 8.741 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.305 -5.488 8.380 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.249 -7.800 8.410 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.828 -7.144 8.795 1.00 0.00 H new ATOM 0 HE ARG A 58 3.650 -7.610 10.636 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.425 -5.466 10.040 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.562 -5.004 11.740 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.851 -6.989 12.794 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.118 -5.859 13.284 1.00 0.00 H new ATOM 919 N LEU A 59 2.413 -3.072 6.642 1.00 0.00 N ATOM 920 CA LEU A 59 0.990 -2.739 6.659 1.00 0.00 C ATOM 921 C LEU A 59 0.622 -1.860 5.457 1.00 0.00 C ATOM 922 O LEU A 59 -0.540 -1.474 5.292 1.00 0.00 O ATOM 923 CB LEU A 59 0.585 -2.051 7.980 1.00 0.00 C ATOM 924 CG LEU A 59 1.265 -0.706 8.293 1.00 0.00 C ATOM 925 CD1 LEU A 59 0.352 0.157 9.149 1.00 0.00 C ATOM 926 CD2 LEU A 59 2.596 -0.918 9.005 1.00 0.00 C ATOM 0 H LEU A 59 3.004 -2.423 7.162 1.00 0.00 H new ATOM 0 HA LEU A 59 0.433 -3.673 6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.493 -1.892 7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.795 -2.738 8.800 1.00 0.00 H new ATOM 0 HG LEU A 59 1.458 -0.197 7.348 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.844 1.106 9.364 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.579 0.344 8.614 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.135 -0.359 10.084 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.055 0.048 9.214 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.427 -1.450 9.941 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.259 -1.505 8.369 1.00 0.00 H new ATOM 938 N PHE A 60 1.618 -1.559 4.615 1.00 0.00 N ATOM 939 CA PHE A 60 1.403 -0.739 3.422 1.00 0.00 C ATOM 940 C PHE A 60 1.350 -1.613 2.170 1.00 0.00 C ATOM 941 O PHE A 60 2.295 -2.349 1.870 1.00 0.00 O ATOM 942 CB PHE A 60 2.504 0.323 3.272 1.00 0.00 C ATOM 943 CG PHE A 60 2.503 1.381 4.348 1.00 0.00 C ATOM 944 CD1 PHE A 60 3.133 1.162 5.566 1.00 0.00 C ATOM 945 CD2 PHE A 60 1.883 2.603 4.134 1.00 0.00 C ATOM 946 CE1 PHE A 60 3.140 2.137 6.545 1.00 0.00 C ATOM 947 CE2 PHE A 60 1.889 3.581 5.110 1.00 0.00 C ATOM 948 CZ PHE A 60 2.518 3.347 6.317 1.00 0.00 C ATOM 0 H PHE A 60 2.581 -1.872 4.740 1.00 0.00 H new ATOM 0 HA PHE A 60 0.447 -0.229 3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.474 -0.175 3.270 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.393 0.809 2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.624 0.218 5.750 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.389 2.793 3.192 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.632 1.952 7.488 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.402 4.528 4.929 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.523 4.110 7.081 1.00 0.00 H new ATOM 958 N TRP A 61 0.234 -1.523 1.446 1.00 0.00 N ATOM 959 CA TRP A 61 0.039 -2.297 0.222 1.00 0.00 C ATOM 960 C TRP A 61 0.043 -1.390 -1.002 1.00 0.00 C ATOM 961 O TRP A 61 -0.597 -0.337 -1.013 1.00 0.00 O ATOM 962 CB TRP A 61 -1.281 -3.083 0.284 1.00 0.00 C ATOM 963 CG TRP A 61 -1.255 -4.340 1.134 1.00 0.00 C ATOM 964 CD1 TRP A 61 -0.266 -4.769 1.985 1.00 0.00 C ATOM 965 CD2 TRP A 61 -2.292 -5.332 1.218 1.00 0.00 C ATOM 966 NE1 TRP A 61 -0.623 -5.958 2.567 1.00 0.00 N ATOM 967 CE2 TRP A 61 -1.861 -6.321 2.122 1.00 0.00 C ATOM 968 CE3 TRP A 61 -3.541 -5.481 0.614 1.00 0.00 C ATOM 969 CZ2 TRP A 61 -2.636 -7.437 2.436 1.00 0.00 C ATOM 970 CZ3 TRP A 61 -4.304 -6.587 0.926 1.00 0.00 C ATOM 971 CH2 TRP A 61 -3.854 -7.552 1.829 1.00 0.00 C ATOM 0 H TRP A 61 -0.551 -0.919 1.688 1.00 0.00 H new ATOM 0 HA TRP A 61 0.867 -3.001 0.137 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.059 -2.423 0.667 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.568 -3.358 -0.731 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.660 -4.245 2.169 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.054 -6.487 3.228 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.904 -4.743 -0.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.286 -8.183 3.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.271 -6.709 0.461 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.480 -8.404 2.051 1.00 0.00 H new ATOM 982 N GLY A 62 0.770 -1.818 -2.027 1.00 0.00 N ATOM 983 CA GLY A 62 0.865 -1.060 -3.262 1.00 0.00 C ATOM 984 C GLY A 62 -0.185 -1.471 -4.274 1.00 0.00 C ATOM 985 O GLY A 62 -0.833 -2.508 -4.117 1.00 0.00 O ATOM 0 H GLY A 62 1.302 -2.688 -2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.758 0.002 -3.042 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.856 -1.198 -3.694 1.00 0.00 H new ATOM 989 N GLY A 63 -0.349 -0.650 -5.311 1.00 0.00 N ATOM 990 CA GLY A 63 -1.327 -0.925 -6.352 1.00 0.00 C ATOM 991 C GLY A 63 -1.825 0.345 -7.012 1.00 0.00 C ATOM 992 O GLY A 63 -1.247 1.415 -6.811 1.00 0.00 O ATOM 0 H GLY A 63 0.184 0.209 -5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.882 -1.575 -7.105 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.171 -1.466 -5.923 1.00 0.00 H new ATOM 996 N SER A 64 -2.899 0.231 -7.797 1.00 0.00 N ATOM 997 CA SER A 64 -3.474 1.385 -8.487 1.00 0.00 C ATOM 998 C SER A 64 -4.961 1.519 -8.183 1.00 0.00 C ATOM 999 O SER A 64 -5.618 0.541 -7.823 1.00 0.00 O ATOM 1000 CB SER A 64 -3.261 1.266 -9.999 1.00 0.00 C ATOM 1001 OG SER A 64 -3.920 0.126 -10.521 1.00 0.00 O ATOM 0 H SER A 64 -3.387 -0.648 -7.970 1.00 0.00 H new ATOM 0 HA SER A 64 -2.965 2.278 -8.125 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.634 2.163 -10.493 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.194 1.203 -10.215 1.00 0.00 H new ATOM 0 HG SER A 64 -3.444 -0.684 -10.242 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.482 2.737 -8.331 1.00 0.00 N ATOM 1008 CA VAL A 65 -6.896 3.012 -8.075 1.00 0.00 C ATOM 1009 C VAL A 65 -7.674 3.171 -9.387 1.00 0.00 C ATOM 1010 O VAL A 65 -7.281 3.938 -10.271 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.077 4.267 -7.165 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -6.354 5.484 -7.736 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -8.555 4.579 -6.941 1.00 0.00 C ATOM 0 H VAL A 65 -4.944 3.551 -8.628 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.305 2.154 -7.542 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.627 4.032 -6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.502 6.338 -7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.288 5.269 -7.817 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.754 5.715 -8.723 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.649 5.458 -6.303 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.035 4.773 -7.900 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.037 3.728 -6.459 1.00 0.00 H new ATOM 1023 N GLN A 66 -8.779 2.432 -9.500 1.00 0.00 N ATOM 1024 CA GLN A 66 -9.621 2.482 -10.692 1.00 0.00 C ATOM 1025 C GLN A 66 -10.841 3.376 -10.455 1.00 0.00 C ATOM 1026 O GLN A 66 -11.404 3.404 -9.358 1.00 0.00 O ATOM 1027 CB GLN A 66 -10.068 1.072 -11.101 1.00 0.00 C ATOM 1028 CG GLN A 66 -10.798 1.034 -12.437 1.00 0.00 C ATOM 1029 CD GLN A 66 -11.207 -0.361 -12.859 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -12.044 -0.998 -12.218 1.00 0.00 O ATOM 1031 NE2 GLN A 66 -10.619 -0.845 -13.946 1.00 0.00 N ATOM 0 H GLN A 66 -9.110 1.792 -8.778 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.031 2.907 -11.504 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.194 0.423 -11.154 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.720 0.667 -10.327 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.687 1.662 -12.375 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.156 1.465 -13.206 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -9.931 -0.283 -14.447 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.855 -1.779 -14.281 1.00 0.00 H new ATOM 1040 N GLY A 67 -11.233 4.098 -11.504 1.00 0.00 N ATOM 1041 CA GLY A 67 -12.376 4.993 -11.440 1.00 0.00 C ATOM 1042 C GLY A 67 -12.480 5.831 -12.696 1.00 0.00 C ATOM 1043 O GLY A 67 -13.569 6.021 -13.243 1.00 0.00 O ATOM 0 H GLY A 67 -10.769 4.076 -12.412 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.290 4.413 -11.309 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.284 5.644 -10.571 1.00 0.00 H new ATOM 1047 N ASP A 68 -11.326 6.313 -13.153 1.00 0.00 N ATOM 1048 CA ASP A 68 -11.227 7.124 -14.361 1.00 0.00 C ATOM 1049 C ASP A 68 -10.109 6.573 -15.247 1.00 0.00 C ATOM 1050 O ASP A 68 -9.041 7.178 -15.374 1.00 0.00 O ATOM 1051 CB ASP A 68 -10.960 8.596 -14.005 1.00 0.00 C ATOM 1052 CG ASP A 68 -12.131 9.262 -13.306 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -12.452 8.867 -12.165 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -12.729 10.183 -13.901 1.00 0.00 O ATOM 0 H ASP A 68 -10.430 6.150 -12.693 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.171 7.078 -14.903 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.081 8.655 -13.363 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.727 9.147 -14.916 1.00 0.00 H new ATOM 1059 N TYR A 69 -10.363 5.400 -15.835 1.00 0.00 N ATOM 1060 CA TYR A 69 -9.389 4.724 -16.689 1.00 0.00 C ATOM 1061 C TYR A 69 -9.221 5.437 -18.033 1.00 0.00 C ATOM 1062 O TYR A 69 -9.901 5.127 -19.017 1.00 0.00 O ATOM 1063 CB TYR A 69 -9.798 3.254 -16.896 1.00 0.00 C ATOM 1064 CG TYR A 69 -8.745 2.390 -17.575 1.00 0.00 C ATOM 1065 CD1 TYR A 69 -7.480 2.217 -17.015 1.00 0.00 C ATOM 1066 CD2 TYR A 69 -9.024 1.741 -18.771 1.00 0.00 C ATOM 1067 CE1 TYR A 69 -6.529 1.427 -17.632 1.00 0.00 C ATOM 1068 CE2 TYR A 69 -8.076 0.948 -19.392 1.00 0.00 C ATOM 1069 CZ TYR A 69 -6.831 0.796 -18.819 1.00 0.00 C ATOM 1070 OH TYR A 69 -5.887 0.008 -19.435 1.00 0.00 O ATOM 0 H TYR A 69 -11.244 4.897 -15.732 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.422 4.755 -16.186 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.036 2.817 -15.926 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.711 3.225 -17.491 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.240 2.708 -16.084 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.998 1.858 -19.224 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.553 1.305 -17.186 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.310 0.450 -20.321 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.260 -0.364 -20.261 1.00 0.00 H new ATOM 1080 N TYR A 70 -8.288 6.387 -18.055 1.00 0.00 N ATOM 1081 CA TYR A 70 -7.974 7.157 -19.257 1.00 0.00 C ATOM 1082 C TYR A 70 -6.499 6.995 -19.621 1.00 0.00 C ATOM 1083 O TYR A 70 -6.066 7.414 -20.698 1.00 0.00 O ATOM 1084 CB TYR A 70 -8.305 8.647 -19.067 1.00 0.00 C ATOM 1085 CG TYR A 70 -9.785 8.985 -19.149 1.00 0.00 C ATOM 1086 CD1 TYR A 70 -10.655 8.695 -18.101 1.00 0.00 C ATOM 1087 CD2 TYR A 70 -10.306 9.610 -20.275 1.00 0.00 C ATOM 1088 CE1 TYR A 70 -11.997 9.013 -18.178 1.00 0.00 C ATOM 1089 CE2 TYR A 70 -11.647 9.933 -20.358 1.00 0.00 C ATOM 1090 CZ TYR A 70 -12.488 9.633 -19.308 1.00 0.00 C ATOM 1091 OH TYR A 70 -13.824 9.952 -19.387 1.00 0.00 O ATOM 0 H TYR A 70 -7.729 6.644 -17.241 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.589 6.771 -20.070 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.926 8.968 -18.097 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -7.772 9.223 -19.824 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -10.274 8.213 -17.213 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.651 9.848 -21.100 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.659 8.777 -17.357 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.034 10.418 -21.242 1.00 0.00 H new ATOM 0 HH TYR A 70 -14.007 10.385 -20.247 1.00 0.00 H new ATOM 1101 N GLY A 71 -5.739 6.378 -18.711 1.00 0.00 N ATOM 1102 CA GLY A 71 -4.319 6.155 -18.933 1.00 0.00 C ATOM 1103 C GLY A 71 -3.466 7.315 -18.460 1.00 0.00 C ATOM 1104 O GLY A 71 -2.766 7.940 -19.261 1.00 0.00 O ATOM 0 H GLY A 71 -6.088 6.028 -17.819 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.012 5.247 -18.413 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.143 5.989 -19.996 1.00 0.00 H new ATOM 1108 N ASP A 72 -3.525 7.604 -17.155 1.00 0.00 N ATOM 1109 CA ASP A 72 -2.752 8.701 -16.571 1.00 0.00 C ATOM 1110 C ASP A 72 -2.441 8.443 -15.094 1.00 0.00 C ATOM 1111 O ASP A 72 -1.321 8.688 -14.641 1.00 0.00 O ATOM 1112 CB ASP A 72 -3.517 10.024 -16.719 1.00 0.00 C ATOM 1113 CG ASP A 72 -2.728 11.219 -16.216 1.00 0.00 C ATOM 1114 OD1 ASP A 72 -1.639 11.489 -16.765 1.00 0.00 O ATOM 1115 OD2 ASP A 72 -3.201 11.887 -15.271 1.00 0.00 O ATOM 0 H ASP A 72 -4.100 7.093 -16.486 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.807 8.766 -17.110 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.770 10.177 -17.768 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.457 9.958 -16.171 1.00 0.00 H new ATOM 1120 N LEU A 73 -3.441 7.962 -14.351 1.00 0.00 N ATOM 1121 CA LEU A 73 -3.278 7.689 -12.920 1.00 0.00 C ATOM 1122 C LEU A 73 -2.784 6.261 -12.668 1.00 0.00 C ATOM 1123 O LEU A 73 -2.144 5.994 -11.648 1.00 0.00 O ATOM 1124 CB LEU A 73 -4.591 7.955 -12.146 1.00 0.00 C ATOM 1125 CG LEU A 73 -5.708 6.895 -12.261 1.00 0.00 C ATOM 1126 CD1 LEU A 73 -6.787 7.159 -11.223 1.00 0.00 C ATOM 1127 CD2 LEU A 73 -6.322 6.879 -13.655 1.00 0.00 C ATOM 0 H LEU A 73 -4.371 7.754 -14.715 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.517 8.375 -12.548 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.343 8.071 -11.091 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.995 8.909 -12.485 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.260 5.918 -12.079 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.570 6.406 -11.313 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.351 7.112 -10.225 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.215 8.148 -11.386 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.104 6.121 -13.699 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.751 7.857 -13.875 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.551 6.648 -14.390 1.00 0.00 H new ATOM 1139 N ALA A 74 -3.084 5.351 -13.600 1.00 0.00 N ATOM 1140 CA ALA A 74 -2.668 3.955 -13.475 1.00 0.00 C ATOM 1141 C ALA A 74 -1.438 3.666 -14.339 1.00 0.00 C ATOM 1142 O ALA A 74 -1.253 2.546 -14.828 1.00 0.00 O ATOM 1143 CB ALA A 74 -3.821 3.025 -13.841 1.00 0.00 C ATOM 0 H ALA A 74 -3.613 5.558 -14.447 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.392 3.772 -12.437 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.498 1.989 -13.744 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.662 3.207 -13.172 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.128 3.214 -14.870 1.00 0.00 H new ATOM 1149 N ALA A 75 -0.598 4.688 -14.519 1.00 0.00 N ATOM 1150 CA ALA A 75 0.618 4.562 -15.318 1.00 0.00 C ATOM 1151 C ALA A 75 1.830 4.274 -14.436 1.00 0.00 C ATOM 1152 O ALA A 75 2.676 3.448 -14.787 1.00 0.00 O ATOM 1153 CB ALA A 75 0.844 5.826 -16.135 1.00 0.00 C ATOM 0 H ALA A 75 -0.741 5.615 -14.119 1.00 0.00 H new ATOM 0 HA ALA A 75 0.491 3.720 -15.998 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.754 5.719 -16.726 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.005 5.986 -16.800 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.945 6.679 -15.464 1.00 0.00 H new ATOM 1159 N ARG A 76 1.905 4.962 -13.294 1.00 0.00 N ATOM 1160 CA ARG A 76 3.016 4.785 -12.356 1.00 0.00 C ATOM 1161 C ARG A 76 2.529 4.354 -10.970 1.00 0.00 C ATOM 1162 O ARG A 76 3.339 4.181 -10.055 1.00 0.00 O ATOM 1163 CB ARG A 76 3.869 6.070 -12.276 1.00 0.00 C ATOM 1164 CG ARG A 76 3.074 7.375 -12.172 1.00 0.00 C ATOM 1165 CD ARG A 76 2.627 7.677 -10.746 1.00 0.00 C ATOM 1166 NE ARG A 76 1.867 8.926 -10.663 1.00 0.00 N ATOM 1167 CZ ARG A 76 1.356 9.423 -9.532 1.00 0.00 C ATOM 1168 NH1 ARG A 76 1.513 8.788 -8.374 1.00 0.00 N ATOM 1169 NH2 ARG A 76 0.682 10.565 -9.563 1.00 0.00 N ATOM 0 H ARG A 76 1.210 5.647 -12.997 1.00 0.00 H new ATOM 0 HA ARG A 76 3.645 3.980 -12.736 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.529 5.996 -11.412 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.505 6.120 -13.160 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.686 8.199 -12.539 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.198 7.315 -12.818 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.015 6.855 -10.376 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.501 7.740 -10.098 1.00 0.00 H new ATOM 0 HE ARG A 76 1.718 9.451 -11.525 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.029 7.909 -8.340 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.117 9.180 -7.520 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.556 11.059 -10.446 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.290 10.949 -8.703 1.00 0.00 H new ATOM 1183 N LEU A 77 1.198 4.174 -10.853 1.00 0.00 N ATOM 1184 CA LEU A 77 0.502 3.748 -9.610 1.00 0.00 C ATOM 1185 C LEU A 77 1.058 4.412 -8.326 1.00 0.00 C ATOM 1186 O LEU A 77 1.658 5.489 -8.386 1.00 0.00 O ATOM 1187 CB LEU A 77 0.471 2.206 -9.500 1.00 0.00 C ATOM 1188 CG LEU A 77 1.823 1.519 -9.323 1.00 0.00 C ATOM 1189 CD1 LEU A 77 1.791 0.566 -8.139 1.00 0.00 C ATOM 1190 CD2 LEU A 77 2.215 0.781 -10.592 1.00 0.00 C ATOM 0 H LEU A 77 0.558 4.322 -11.634 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.524 4.107 -9.692 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.165 1.935 -8.657 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.002 1.807 -10.397 1.00 0.00 H new ATOM 0 HG LEU A 77 2.573 2.285 -9.124 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.764 0.087 -8.031 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.557 1.122 -7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.029 -0.195 -8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.181 0.297 -10.448 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.462 0.027 -10.822 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.283 1.489 -11.418 1.00 0.00 H new ATOM 1202 N GLY A 78 0.833 3.776 -7.163 1.00 0.00 N ATOM 1203 CA GLY A 78 1.304 4.329 -5.901 1.00 0.00 C ATOM 1204 C GLY A 78 1.114 3.371 -4.738 1.00 0.00 C ATOM 1205 O GLY A 78 0.980 2.163 -4.940 1.00 0.00 O ATOM 0 H GLY A 78 0.334 2.890 -7.080 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.361 4.581 -5.991 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.771 5.257 -5.694 1.00 0.00 H new ATOM 1209 N TYR A 79 1.108 3.920 -3.519 1.00 0.00 N ATOM 1210 CA TYR A 79 0.940 3.125 -2.300 1.00 0.00 C ATOM 1211 C TYR A 79 -0.266 3.615 -1.500 1.00 0.00 C ATOM 1212 O TYR A 79 -0.691 4.768 -1.645 1.00 0.00 O ATOM 1213 CB TYR A 79 2.208 3.195 -1.419 1.00 0.00 C ATOM 1214 CG TYR A 79 3.496 2.686 -2.066 1.00 0.00 C ATOM 1215 CD1 TYR A 79 3.513 1.582 -2.922 1.00 0.00 C ATOM 1216 CD2 TYR A 79 4.706 3.317 -1.802 1.00 0.00 C ATOM 1217 CE1 TYR A 79 4.688 1.134 -3.493 1.00 0.00 C ATOM 1218 CE2 TYR A 79 5.887 2.873 -2.369 1.00 0.00 C ATOM 1219 CZ TYR A 79 5.873 1.784 -3.214 1.00 0.00 C ATOM 1220 OH TYR A 79 7.046 1.339 -3.778 1.00 0.00 O ATOM 0 H TYR A 79 1.219 4.920 -3.351 1.00 0.00 H new ATOM 0 HA TYR A 79 0.774 2.090 -2.598 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.361 4.231 -1.116 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.028 2.620 -0.510 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.589 1.069 -3.142 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.724 4.171 -1.141 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.680 0.280 -4.154 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.817 3.378 -2.150 1.00 0.00 H new ATOM 0 HH TYR A 79 7.788 1.906 -3.481 1.00 0.00 H new ATOM 1230 N PHE A 80 -0.809 2.727 -0.660 1.00 0.00 N ATOM 1231 CA PHE A 80 -1.971 3.043 0.175 1.00 0.00 C ATOM 1232 C PHE A 80 -2.020 2.133 1.417 1.00 0.00 C ATOM 1233 O PHE A 80 -1.532 1.001 1.365 1.00 0.00 O ATOM 1234 CB PHE A 80 -3.277 2.919 -0.648 1.00 0.00 C ATOM 1235 CG PHE A 80 -3.454 1.611 -1.392 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -3.937 0.476 -0.751 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -3.131 1.522 -2.737 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -4.093 -0.712 -1.437 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -3.286 0.336 -3.425 1.00 0.00 C ATOM 1240 CZ PHE A 80 -3.767 -0.782 -2.776 1.00 0.00 C ATOM 0 H PHE A 80 -0.458 1.777 -0.541 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.876 4.073 0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.124 3.053 0.024 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.311 3.735 -1.369 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.194 0.524 0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.753 2.392 -3.253 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.470 -1.586 -0.926 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.030 0.283 -4.473 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.888 -1.710 -3.315 1.00 0.00 H new ATOM 1250 N PRO A 81 -2.608 2.597 2.561 1.00 0.00 N ATOM 1251 CA PRO A 81 -2.699 1.784 3.781 1.00 0.00 C ATOM 1252 C PRO A 81 -3.724 0.662 3.634 1.00 0.00 C ATOM 1253 O PRO A 81 -4.846 0.894 3.180 1.00 0.00 O ATOM 1254 CB PRO A 81 -3.148 2.778 4.867 1.00 0.00 C ATOM 1255 CG PRO A 81 -3.053 4.132 4.242 1.00 0.00 C ATOM 1256 CD PRO A 81 -3.223 3.923 2.768 1.00 0.00 C ATOM 0 HA PRO A 81 -1.752 1.296 4.013 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.167 2.568 5.193 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.511 2.708 5.749 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.824 4.796 4.633 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.091 4.596 4.461 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.273 3.934 2.475 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.722 4.698 2.188 1.00 0.00 H new ATOM 1264 N SER A 82 -3.330 -0.554 4.015 1.00 0.00 N ATOM 1265 CA SER A 82 -4.210 -1.723 3.921 1.00 0.00 C ATOM 1266 C SER A 82 -5.438 -1.575 4.832 1.00 0.00 C ATOM 1267 O SER A 82 -6.474 -2.207 4.602 1.00 0.00 O ATOM 1268 CB SER A 82 -3.428 -2.992 4.284 1.00 0.00 C ATOM 1269 OG SER A 82 -3.057 -2.990 5.652 1.00 0.00 O ATOM 0 H SER A 82 -2.405 -0.757 4.393 1.00 0.00 H new ATOM 0 HA SER A 82 -4.567 -1.799 2.894 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.036 -3.871 4.070 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.536 -3.063 3.662 1.00 0.00 H new ATOM 0 HG SER A 82 -2.206 -2.515 5.760 1.00 0.00 H new ATOM 1275 N SER A 83 -5.301 -0.738 5.864 1.00 0.00 N ATOM 1276 CA SER A 83 -6.370 -0.496 6.835 1.00 0.00 C ATOM 1277 C SER A 83 -7.596 0.203 6.232 1.00 0.00 C ATOM 1278 O SER A 83 -8.692 0.094 6.789 1.00 0.00 O ATOM 1279 CB SER A 83 -5.832 0.335 8.001 1.00 0.00 C ATOM 1280 OG SER A 83 -5.332 1.583 7.553 1.00 0.00 O ATOM 0 H SER A 83 -4.448 -0.211 6.049 1.00 0.00 H new ATOM 0 HA SER A 83 -6.702 -1.475 7.180 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.625 0.499 8.731 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.040 -0.216 8.509 1.00 0.00 H new ATOM 0 HG SER A 83 -4.996 2.095 8.318 1.00 0.00 H new ATOM 1286 N ILE A 84 -7.427 0.924 5.114 1.00 0.00 N ATOM 1287 CA ILE A 84 -8.562 1.627 4.499 1.00 0.00 C ATOM 1288 C ILE A 84 -9.220 0.814 3.381 1.00 0.00 C ATOM 1289 O ILE A 84 -10.206 1.265 2.785 1.00 0.00 O ATOM 1290 CB ILE A 84 -8.185 3.028 3.962 1.00 0.00 C ATOM 1291 CG1 ILE A 84 -7.152 2.943 2.837 1.00 0.00 C ATOM 1292 CG2 ILE A 84 -7.667 3.902 5.097 1.00 0.00 C ATOM 1293 CD1 ILE A 84 -7.118 4.175 1.966 1.00 0.00 C ATOM 0 H ILE A 84 -6.538 1.035 4.627 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.281 1.754 5.308 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.085 3.480 3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.164 2.785 3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.370 2.074 2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.405 4.886 4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.441 4.007 5.858 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.784 3.439 5.539 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.365 4.050 1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.095 4.322 1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.870 5.044 2.575 1.00 0.00 H new ATOM 1305 N VAL A 85 -8.684 -0.377 3.094 1.00 0.00 N ATOM 1306 CA VAL A 85 -9.246 -1.223 2.040 1.00 0.00 C ATOM 1307 C VAL A 85 -9.697 -2.581 2.576 1.00 0.00 C ATOM 1308 O VAL A 85 -9.036 -3.180 3.428 1.00 0.00 O ATOM 1309 CB VAL A 85 -8.257 -1.424 0.862 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -8.069 -0.124 0.094 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -6.912 -1.952 1.345 1.00 0.00 C ATOM 0 H VAL A 85 -7.873 -0.772 3.570 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.121 -0.692 1.665 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.688 -2.169 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.372 -0.285 -0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.029 0.206 -0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.671 0.639 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.244 -2.081 0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.473 -1.242 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.055 -2.911 1.842 1.00 0.00 H new ATOM 1321 N ARG A 86 -10.834 -3.055 2.061 1.00 0.00 N ATOM 1322 CA ARG A 86 -11.394 -4.341 2.464 1.00 0.00 C ATOM 1323 C ARG A 86 -11.322 -5.328 1.304 1.00 0.00 C ATOM 1324 O ARG A 86 -12.001 -5.157 0.284 1.00 0.00 O ATOM 1325 CB ARG A 86 -12.842 -4.175 2.936 1.00 0.00 C ATOM 1326 CG ARG A 86 -13.445 -5.441 3.527 1.00 0.00 C ATOM 1327 CD ARG A 86 -14.836 -5.186 4.078 1.00 0.00 C ATOM 1328 NE ARG A 86 -15.427 -6.392 4.660 1.00 0.00 N ATOM 1329 CZ ARG A 86 -16.642 -6.445 5.216 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -17.413 -5.363 5.274 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -17.087 -7.589 5.715 1.00 0.00 N ATOM 0 H ARG A 86 -11.386 -2.561 1.359 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.807 -4.731 3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.882 -3.382 3.683 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.454 -3.851 2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.491 -6.216 2.761 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.800 -5.816 4.322 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.788 -4.404 4.836 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.480 -4.816 3.280 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.875 -7.250 4.640 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -17.080 -4.478 4.891 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -18.338 -5.418 5.701 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.503 -8.425 5.674 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -18.013 -7.634 6.140 1.00 0.00 H new ATOM 1345 N GLU A 87 -10.486 -6.350 1.472 1.00 0.00 N ATOM 1346 CA GLU A 87 -10.295 -7.377 0.455 1.00 0.00 C ATOM 1347 C GLU A 87 -11.297 -8.507 0.633 1.00 0.00 C ATOM 1348 O GLU A 87 -11.299 -9.198 1.656 1.00 0.00 O ATOM 1349 CB GLU A 87 -8.858 -7.916 0.496 1.00 0.00 C ATOM 1350 CG GLU A 87 -7.847 -7.008 -0.191 1.00 0.00 C ATOM 1351 CD GLU A 87 -7.519 -5.738 0.585 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -7.841 -5.659 1.791 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -6.905 -4.834 -0.014 1.00 0.00 O ATOM 0 H GLU A 87 -9.925 -6.488 2.313 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.465 -6.924 -0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.561 -8.056 1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.833 -8.897 0.022 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.926 -7.568 -0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.232 -6.731 -1.172 1.00 0.00 H new ATOM 1360 N ASP A 88 -12.154 -8.678 -0.372 1.00 0.00 N ATOM 1361 CA ASP A 88 -13.178 -9.713 -0.343 1.00 0.00 C ATOM 1362 C ASP A 88 -12.949 -10.759 -1.430 1.00 0.00 C ATOM 1363 O ASP A 88 -13.354 -11.914 -1.274 1.00 0.00 O ATOM 1364 CB ASP A 88 -14.576 -9.094 -0.492 1.00 0.00 C ATOM 1365 CG ASP A 88 -14.762 -8.342 -1.800 1.00 0.00 C ATOM 1366 OD1 ASP A 88 -14.068 -7.324 -2.009 1.00 0.00 O ATOM 1367 OD2 ASP A 88 -15.603 -8.774 -2.615 1.00 0.00 O ATOM 0 H ASP A 88 -12.157 -8.109 -1.219 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.112 -10.212 0.624 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.325 -9.883 -0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.755 -8.413 0.340 1.00 0.00 H new ATOM 1372 N GLN A 89 -12.311 -10.355 -2.537 1.00 0.00 N ATOM 1373 CA GLN A 89 -12.059 -11.291 -3.642 1.00 0.00 C ATOM 1374 C GLN A 89 -10.630 -11.181 -4.188 1.00 0.00 C ATOM 1375 O GLN A 89 -10.094 -10.082 -4.331 1.00 0.00 O ATOM 1376 CB GLN A 89 -13.072 -11.055 -4.770 1.00 0.00 C ATOM 1377 CG GLN A 89 -13.121 -12.178 -5.799 1.00 0.00 C ATOM 1378 CD GLN A 89 -12.799 -11.707 -7.205 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -11.715 -12.228 -7.768 1.00 0.00 O flip ATOM 1380 NE2 GLN A 89 -13.515 -10.884 -7.777 1.00 0.00 N flip ATOM 0 H GLN A 89 -11.966 -9.407 -2.691 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.176 -12.299 -3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.064 -10.930 -4.335 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.827 -10.122 -5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.415 -12.957 -5.512 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -14.114 -12.628 -5.791 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.339 -10.510 -7.306 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.284 -10.577 -8.722 1.00 0.00 H new ATOM 1389 N THR A 90 -10.043 -12.343 -4.511 1.00 0.00 N ATOM 1390 CA THR A 90 -8.689 -12.420 -5.073 1.00 0.00 C ATOM 1391 C THR A 90 -8.774 -12.771 -6.561 1.00 0.00 C ATOM 1392 O THR A 90 -9.387 -13.774 -6.934 1.00 0.00 O ATOM 1393 CB THR A 90 -7.855 -13.468 -4.315 1.00 0.00 C ATOM 1394 OG1 THR A 90 -7.828 -13.177 -2.929 1.00 0.00 O ATOM 1395 CG2 THR A 90 -6.413 -13.576 -4.781 1.00 0.00 C ATOM 0 H THR A 90 -10.492 -13.251 -4.390 1.00 0.00 H new ATOM 0 HA THR A 90 -8.198 -11.453 -4.964 1.00 0.00 H new ATOM 0 HB THR A 90 -8.351 -14.416 -4.523 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.295 -13.854 -2.463 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.897 -14.337 -4.195 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.391 -13.853 -5.835 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.915 -12.616 -4.648 1.00 0.00 H new ATOM 1403 N LEU A 91 -8.168 -11.930 -7.401 1.00 0.00 N ATOM 1404 CA LEU A 91 -8.188 -12.123 -8.855 1.00 0.00 C ATOM 1405 C LEU A 91 -7.055 -13.038 -9.304 1.00 0.00 C ATOM 1406 O LEU A 91 -7.193 -13.785 -10.276 1.00 0.00 O ATOM 1407 CB LEU A 91 -8.031 -10.770 -9.562 1.00 0.00 C ATOM 1408 CG LEU A 91 -8.942 -9.639 -9.063 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -8.350 -8.290 -9.426 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -10.348 -9.773 -9.626 1.00 0.00 C ATOM 0 H LEU A 91 -7.654 -11.103 -7.098 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.142 -12.581 -9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.995 -10.447 -9.459 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.216 -10.915 -10.626 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.010 -9.714 -7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.005 -7.497 -9.067 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.368 -8.187 -8.964 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.250 -8.216 -10.509 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.968 -8.957 -9.254 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.309 -9.732 -10.715 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.776 -10.726 -9.314 1.00 0.00 H new ATOM 1422 N LYS A 92 -5.938 -12.963 -8.587 1.00 0.00 N ATOM 1423 CA LYS A 92 -4.753 -13.766 -8.890 1.00 0.00 C ATOM 1424 C LYS A 92 -3.904 -13.958 -7.617 1.00 0.00 C ATOM 1425 O LYS A 92 -3.664 -12.993 -6.895 1.00 0.00 O ATOM 1426 CB LYS A 92 -3.924 -13.086 -9.993 1.00 0.00 C ATOM 1427 CG LYS A 92 -2.822 -13.967 -10.584 1.00 0.00 C ATOM 1428 CD LYS A 92 -3.063 -14.300 -12.057 1.00 0.00 C ATOM 1429 CE LYS A 92 -4.238 -15.255 -12.261 1.00 0.00 C ATOM 1430 NZ LYS A 92 -4.005 -16.574 -11.610 1.00 0.00 N ATOM 0 H LYS A 92 -5.826 -12.347 -7.782 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.069 -14.746 -9.247 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.593 -12.774 -10.795 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.471 -12.182 -9.586 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.863 -13.460 -10.482 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.756 -14.893 -10.012 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.250 -13.378 -12.608 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.161 -14.745 -12.477 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.145 -14.806 -11.856 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.405 -15.402 -13.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.430 -17.327 -12.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.982 -16.741 -11.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.440 -16.576 -10.665 1.00 0.00 H new ATOM 1444 N PRO A 93 -3.449 -15.207 -7.307 1.00 0.00 N ATOM 1445 CA PRO A 93 -2.644 -15.494 -6.103 1.00 0.00 C ATOM 1446 C PRO A 93 -1.311 -14.748 -6.063 1.00 0.00 C ATOM 1447 O PRO A 93 -0.528 -14.801 -7.015 1.00 0.00 O ATOM 1448 CB PRO A 93 -2.388 -17.002 -6.209 1.00 0.00 C ATOM 1449 CG PRO A 93 -3.509 -17.503 -7.038 1.00 0.00 C ATOM 1450 CD PRO A 93 -3.689 -16.446 -8.075 1.00 0.00 C ATOM 0 HA PRO A 93 -3.164 -15.177 -5.199 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.424 -17.211 -6.674 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.377 -17.474 -5.227 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.273 -18.468 -7.488 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.414 -17.640 -6.446 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.982 -16.558 -8.897 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.689 -16.468 -8.509 1.00 0.00 H new ATOM 1458 N GLY A 94 -1.059 -14.075 -4.938 1.00 0.00 N ATOM 1459 CA GLY A 94 0.183 -13.343 -4.755 1.00 0.00 C ATOM 1460 C GLY A 94 1.145 -14.119 -3.881 1.00 0.00 C ATOM 1461 O GLY A 94 1.123 -13.991 -2.656 1.00 0.00 O ATOM 0 H GLY A 94 -1.700 -14.026 -4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.642 -13.150 -5.725 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.025 -12.374 -4.302 1.00 0.00 H new ATOM 1465 N LYS A 95 1.967 -14.947 -4.521 1.00 0.00 N ATOM 1466 CA LYS A 95 2.929 -15.790 -3.810 1.00 0.00 C ATOM 1467 C LYS A 95 4.346 -15.674 -4.389 1.00 0.00 C ATOM 1468 O LYS A 95 5.141 -16.617 -4.307 1.00 0.00 O ATOM 1469 CB LYS A 95 2.445 -17.246 -3.827 1.00 0.00 C ATOM 1470 CG LYS A 95 1.916 -17.690 -5.179 1.00 0.00 C ATOM 1471 CD LYS A 95 1.405 -19.119 -5.140 1.00 0.00 C ATOM 1472 CE LYS A 95 0.949 -19.590 -6.514 1.00 0.00 C ATOM 1473 NZ LYS A 95 2.064 -19.601 -7.501 1.00 0.00 N ATOM 0 H LYS A 95 1.987 -15.053 -5.535 1.00 0.00 H new ATOM 0 HA LYS A 95 2.988 -15.440 -2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.268 -17.898 -3.535 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.661 -17.369 -3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.112 -17.024 -5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.707 -17.606 -5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.192 -19.777 -4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.575 -19.190 -4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.528 -20.592 -6.432 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.153 -18.938 -6.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.784 -20.156 -8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.280 -18.626 -7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.907 -20.028 -7.067 1.00 0.00 H new ATOM 1487 N VAL A 96 4.658 -14.507 -4.961 1.00 0.00 N ATOM 1488 CA VAL A 96 5.980 -14.252 -5.544 1.00 0.00 C ATOM 1489 C VAL A 96 6.630 -13.044 -4.856 1.00 0.00 C ATOM 1490 O VAL A 96 5.939 -12.096 -4.489 1.00 0.00 O ATOM 1491 CB VAL A 96 5.886 -14.008 -7.076 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.266 -13.836 -7.703 1.00 0.00 C ATOM 1493 CG2 VAL A 96 5.141 -15.148 -7.758 1.00 0.00 C ATOM 0 H VAL A 96 4.011 -13.722 -5.033 1.00 0.00 H new ATOM 0 HA VAL A 96 6.597 -15.136 -5.383 1.00 0.00 H new ATOM 0 HB VAL A 96 5.330 -13.082 -7.224 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.160 -13.667 -8.775 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.768 -12.982 -7.249 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.857 -14.736 -7.534 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.086 -14.957 -8.830 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.670 -16.085 -7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.133 -15.219 -7.350 1.00 0.00 H new ATOM 1503 N ASP A 97 7.953 -13.094 -4.672 1.00 0.00 N ATOM 1504 CA ASP A 97 8.687 -12.008 -4.015 1.00 0.00 C ATOM 1505 C ASP A 97 9.591 -11.263 -5.003 1.00 0.00 C ATOM 1506 O ASP A 97 10.500 -11.853 -5.592 1.00 0.00 O ATOM 1507 CB ASP A 97 9.518 -12.572 -2.856 1.00 0.00 C ATOM 1508 CG ASP A 97 10.277 -11.499 -2.096 1.00 0.00 C ATOM 1509 OD1 ASP A 97 9.625 -10.592 -1.535 1.00 0.00 O ATOM 1510 OD2 ASP A 97 11.522 -11.568 -2.060 1.00 0.00 O ATOM 0 H ASP A 97 8.538 -13.875 -4.969 1.00 0.00 H new ATOM 0 HA ASP A 97 7.962 -11.293 -3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.859 -13.101 -2.167 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.226 -13.304 -3.245 1.00 0.00 H new ATOM 1515 N VAL A 98 9.328 -9.960 -5.170 1.00 0.00 N ATOM 1516 CA VAL A 98 10.110 -9.110 -6.079 1.00 0.00 C ATOM 1517 C VAL A 98 10.607 -7.866 -5.339 1.00 0.00 C ATOM 1518 O VAL A 98 9.850 -7.238 -4.602 1.00 0.00 O ATOM 1519 CB VAL A 98 9.280 -8.664 -7.319 1.00 0.00 C ATOM 1520 CG1 VAL A 98 10.176 -8.026 -8.376 1.00 0.00 C ATOM 1521 CG2 VAL A 98 8.510 -9.834 -7.913 1.00 0.00 C ATOM 0 H VAL A 98 8.576 -9.470 -4.685 1.00 0.00 H new ATOM 0 HA VAL A 98 10.955 -9.704 -6.428 1.00 0.00 H new ATOM 0 HB VAL A 98 8.560 -7.918 -6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.571 -7.724 -9.231 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.671 -7.151 -7.954 1.00 0.00 H new ATOM 0 HG13 VAL A 98 10.927 -8.747 -8.699 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.940 -9.493 -8.777 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.210 -10.610 -8.223 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.828 -10.238 -7.165 1.00 0.00 H new ATOM 1531 N LYS A 99 11.882 -7.519 -5.536 1.00 0.00 N ATOM 1532 CA LYS A 99 12.478 -6.348 -4.880 1.00 0.00 C ATOM 1533 C LYS A 99 12.122 -5.055 -5.621 1.00 0.00 C ATOM 1534 O LYS A 99 11.736 -5.089 -6.792 1.00 0.00 O ATOM 1535 CB LYS A 99 14.003 -6.505 -4.785 1.00 0.00 C ATOM 1536 CG LYS A 99 14.697 -6.699 -6.122 1.00 0.00 C ATOM 1537 CD LYS A 99 16.208 -6.763 -5.965 1.00 0.00 C ATOM 1538 CE LYS A 99 16.904 -6.961 -7.303 1.00 0.00 C ATOM 1539 NZ LYS A 99 16.523 -8.249 -7.946 1.00 0.00 N ATOM 0 H LYS A 99 12.522 -8.031 -6.143 1.00 0.00 H new ATOM 0 HA LYS A 99 12.067 -6.283 -3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.418 -5.622 -4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.229 -7.357 -4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.340 -7.617 -6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.435 -5.879 -6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.565 -5.843 -5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.470 -7.581 -5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.652 -6.135 -7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 99 17.984 -6.934 -7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.162 -8.441 -8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.596 -9.019 -7.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.545 -8.188 -8.293 1.00 0.00 H new ATOM 1553 N THR A 100 12.258 -3.917 -4.927 1.00 0.00 N ATOM 1554 CA THR A 100 11.954 -2.608 -5.515 1.00 0.00 C ATOM 1555 C THR A 100 13.213 -1.958 -6.088 1.00 0.00 C ATOM 1556 O THR A 100 14.332 -2.346 -5.744 1.00 0.00 O ATOM 1557 CB THR A 100 11.319 -1.679 -4.472 1.00 0.00 C ATOM 1558 OG1 THR A 100 12.204 -1.461 -3.388 1.00 0.00 O ATOM 1559 CG2 THR A 100 10.021 -2.210 -3.903 1.00 0.00 C ATOM 0 H THR A 100 12.576 -3.878 -3.959 1.00 0.00 H new ATOM 0 HA THR A 100 11.244 -2.767 -6.327 1.00 0.00 H new ATOM 0 HB THR A 100 11.110 -0.752 -5.005 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.255 -2.271 -2.839 1.00 0.00 H new ATOM 0 HG21 THR A 100 9.628 -1.503 -3.172 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.297 -2.340 -4.708 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.202 -3.170 -3.419 1.00 0.00 H new ATOM 1567 N ASP A 101 13.015 -0.966 -6.961 1.00 0.00 N ATOM 1568 CA ASP A 101 14.124 -0.247 -7.590 1.00 0.00 C ATOM 1569 C ASP A 101 14.389 1.076 -6.870 1.00 0.00 C ATOM 1570 O ASP A 101 13.712 1.401 -5.892 1.00 0.00 O ATOM 1571 CB ASP A 101 13.822 0.008 -9.071 1.00 0.00 C ATOM 1572 CG ASP A 101 13.706 -1.273 -9.878 1.00 0.00 C ATOM 1573 OD1 ASP A 101 12.788 -2.075 -9.601 1.00 0.00 O ATOM 1574 OD2 ASP A 101 14.536 -1.474 -10.790 1.00 0.00 O ATOM 0 H ASP A 101 12.092 -0.642 -7.249 1.00 0.00 H new ATOM 0 HA ASP A 101 15.018 -0.865 -7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 101 12.892 0.571 -9.156 1.00 0.00 H new ATOM 0 HB3 ASP A 101 14.610 0.629 -9.496 1.00 0.00 H new ATOM 1579 N LYS A 102 15.380 1.834 -7.358 1.00 0.00 N ATOM 1580 CA LYS A 102 15.732 3.122 -6.758 1.00 0.00 C ATOM 1581 C LYS A 102 14.811 4.238 -7.254 1.00 0.00 C ATOM 1582 O LYS A 102 14.688 5.279 -6.606 1.00 0.00 O ATOM 1583 CB LYS A 102 17.199 3.483 -7.050 1.00 0.00 C ATOM 1584 CG LYS A 102 17.516 3.675 -8.533 1.00 0.00 C ATOM 1585 CD LYS A 102 18.904 4.271 -8.771 1.00 0.00 C ATOM 1586 CE LYS A 102 18.958 5.775 -8.493 1.00 0.00 C ATOM 1587 NZ LYS A 102 18.956 6.090 -7.036 1.00 0.00 N ATOM 0 H LYS A 102 15.949 1.576 -8.164 1.00 0.00 H new ATOM 0 HA LYS A 102 15.603 3.024 -5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.449 4.399 -6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.841 2.697 -6.652 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.447 2.714 -9.042 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.765 4.327 -8.979 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.627 3.762 -8.134 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.202 4.086 -9.803 1.00 0.00 H new ATOM 0 HE2 LYS A 102 19.855 6.193 -8.950 1.00 0.00 H new ATOM 0 HE3 LYS A 102 18.104 6.259 -8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 19.651 6.838 -6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 18.010 6.415 -6.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 19.206 5.237 -6.496 1.00 0.00 H new ATOM 1601 N TRP A 103 14.172 4.012 -8.407 1.00 0.00 N ATOM 1602 CA TRP A 103 13.264 5.000 -8.999 1.00 0.00 C ATOM 1603 C TRP A 103 11.893 4.954 -8.328 1.00 0.00 C ATOM 1604 O TRP A 103 11.058 5.838 -8.539 1.00 0.00 O ATOM 1605 CB TRP A 103 13.116 4.767 -10.511 1.00 0.00 C ATOM 1606 CG TRP A 103 14.418 4.804 -11.264 1.00 0.00 C ATOM 1607 CD1 TRP A 103 15.270 3.757 -11.477 1.00 0.00 C ATOM 1608 CD2 TRP A 103 15.021 5.946 -11.890 1.00 0.00 C ATOM 1609 NE1 TRP A 103 16.362 4.176 -12.198 1.00 0.00 N ATOM 1610 CE2 TRP A 103 16.234 5.514 -12.463 1.00 0.00 C ATOM 1611 CE3 TRP A 103 14.656 7.290 -12.024 1.00 0.00 C ATOM 1612 CZ2 TRP A 103 17.079 6.376 -13.157 1.00 0.00 C ATOM 1613 CZ3 TRP A 103 15.497 8.144 -12.713 1.00 0.00 C ATOM 1614 CH2 TRP A 103 16.696 7.684 -13.271 1.00 0.00 C ATOM 0 H TRP A 103 14.267 3.153 -8.949 1.00 0.00 H new ATOM 0 HA TRP A 103 13.697 5.987 -8.837 1.00 0.00 H new ATOM 0 HB2 TRP A 103 12.640 3.800 -10.675 1.00 0.00 H new ATOM 0 HB3 TRP A 103 12.448 5.524 -10.922 1.00 0.00 H new ATOM 0 HD1 TRP A 103 15.109 2.747 -11.129 1.00 0.00 H new ATOM 0 HE1 TRP A 103 17.142 3.586 -12.489 1.00 0.00 H new ATOM 0 HE3 TRP A 103 13.733 7.654 -11.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 18.004 6.024 -13.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 15.225 9.183 -12.823 1.00 0.00 H new ATOM 0 HH2 TRP A 103 17.332 8.377 -13.803 1.00 0.00 H new ATOM 1625 N ASP A 104 11.673 3.919 -7.513 1.00 0.00 N ATOM 1626 CA ASP A 104 10.412 3.741 -6.794 1.00 0.00 C ATOM 1627 C ASP A 104 10.361 4.626 -5.546 1.00 0.00 C ATOM 1628 O ASP A 104 9.294 4.814 -4.955 1.00 0.00 O ATOM 1629 CB ASP A 104 10.241 2.267 -6.398 1.00 0.00 C ATOM 1630 CG ASP A 104 10.054 1.340 -7.593 1.00 0.00 C ATOM 1631 OD1 ASP A 104 10.026 1.831 -8.744 1.00 0.00 O ATOM 1632 OD2 ASP A 104 9.930 0.117 -7.374 1.00 0.00 O ATOM 0 H ASP A 104 12.360 3.186 -7.335 1.00 0.00 H new ATOM 0 HA ASP A 104 9.597 4.036 -7.455 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.115 1.946 -5.831 1.00 0.00 H new ATOM 0 HB3 ASP A 104 9.380 2.173 -5.736 1.00 0.00 H new ATOM 1637 N PHE A 105 11.523 5.154 -5.153 1.00 0.00 N ATOM 1638 CA PHE A 105 11.640 6.012 -3.971 1.00 0.00 C ATOM 1639 C PHE A 105 12.091 7.428 -4.334 1.00 0.00 C ATOM 1640 O PHE A 105 11.668 8.403 -3.707 1.00 0.00 O ATOM 1641 CB PHE A 105 12.653 5.400 -2.989 1.00 0.00 C ATOM 1642 CG PHE A 105 12.124 4.350 -2.024 1.00 0.00 C ATOM 1643 CD1 PHE A 105 10.828 3.837 -2.096 1.00 0.00 C ATOM 1644 CD2 PHE A 105 12.953 3.887 -1.017 1.00 0.00 C ATOM 1645 CE1 PHE A 105 10.389 2.893 -1.186 1.00 0.00 C ATOM 1646 CE2 PHE A 105 12.515 2.948 -0.110 1.00 0.00 C ATOM 1647 CZ PHE A 105 11.238 2.451 -0.190 1.00 0.00 C ATOM 0 H PHE A 105 12.405 5.000 -5.642 1.00 0.00 H new ATOM 0 HA PHE A 105 10.653 6.077 -3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 105 13.460 4.953 -3.569 1.00 0.00 H new ATOM 0 HB3 PHE A 105 13.091 6.209 -2.404 1.00 0.00 H new ATOM 0 HD1 PHE A 105 10.160 4.181 -2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 105 13.960 4.269 -0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.385 2.502 -1.254 1.00 0.00 H new ATOM 0 HE2 PHE A 105 13.179 2.601 0.668 1.00 0.00 H new ATOM 0 HZ PHE A 105 10.898 1.716 0.524 1.00 0.00 H new ATOM 1657 N TYR A 106 12.968 7.524 -5.332 1.00 0.00 N ATOM 1658 CA TYR A 106 13.515 8.806 -5.777 1.00 0.00 C ATOM 1659 C TYR A 106 12.642 9.434 -6.871 1.00 0.00 C ATOM 1660 O TYR A 106 12.561 8.920 -7.989 1.00 0.00 O ATOM 1661 CB TYR A 106 14.960 8.583 -6.270 1.00 0.00 C ATOM 1662 CG TYR A 106 15.715 9.825 -6.728 1.00 0.00 C ATOM 1663 CD1 TYR A 106 15.803 10.970 -5.935 1.00 0.00 C ATOM 1664 CD2 TYR A 106 16.358 9.834 -7.961 1.00 0.00 C ATOM 1665 CE1 TYR A 106 16.504 12.081 -6.364 1.00 0.00 C ATOM 1666 CE2 TYR A 106 17.061 10.942 -8.392 1.00 0.00 C ATOM 1667 CZ TYR A 106 17.129 12.062 -7.593 1.00 0.00 C ATOM 1668 OH TYR A 106 17.829 13.168 -8.021 1.00 0.00 O ATOM 0 H TYR A 106 13.318 6.720 -5.853 1.00 0.00 H new ATOM 0 HA TYR A 106 13.522 9.507 -4.942 1.00 0.00 H new ATOM 0 HB2 TYR A 106 15.528 8.114 -5.466 1.00 0.00 H new ATOM 0 HB3 TYR A 106 14.934 7.874 -7.097 1.00 0.00 H new ATOM 0 HD1 TYR A 106 15.316 10.988 -4.971 1.00 0.00 H new ATOM 0 HD2 TYR A 106 16.307 8.959 -8.593 1.00 0.00 H new ATOM 0 HE1 TYR A 106 16.562 12.960 -5.739 1.00 0.00 H new ATOM 0 HE2 TYR A 106 17.556 10.930 -9.352 1.00 0.00 H new ATOM 0 HH TYR A 106 18.210 12.991 -8.906 1.00 0.00 H new ATOM 1678 N CYS A 107 11.994 10.554 -6.524 1.00 0.00 N ATOM 1679 CA CYS A 107 11.123 11.276 -7.456 1.00 0.00 C ATOM 1680 C CYS A 107 11.547 12.729 -7.595 1.00 0.00 C ATOM 1681 O CYS A 107 10.903 13.646 -7.079 1.00 0.00 O ATOM 1682 CB CYS A 107 9.668 11.184 -7.018 1.00 0.00 C ATOM 1683 SG CYS A 107 9.400 11.390 -5.230 1.00 0.00 S ATOM 0 H CYS A 107 12.058 10.980 -5.599 1.00 0.00 H new ATOM 0 HA CYS A 107 11.220 10.803 -8.433 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.094 11.944 -7.548 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.271 10.215 -7.322 1.00 0.00 H new ATOM 1688 N GLN A 108 12.642 12.915 -8.305 1.00 0.00 N ATOM 1689 CA GLN A 108 13.208 14.231 -8.552 1.00 0.00 C ATOM 1690 C GLN A 108 13.955 14.249 -9.889 1.00 0.00 C ATOM 1691 O GLN A 108 14.812 13.366 -10.099 1.00 0.00 O ATOM 1692 CB GLN A 108 14.130 14.621 -7.386 1.00 0.00 C ATOM 1693 CG GLN A 108 15.020 15.816 -7.663 1.00 0.00 C ATOM 1694 CD GLN A 108 15.779 16.282 -6.436 1.00 0.00 C ATOM 1695 OE1 GLN A 108 16.580 15.540 -5.866 1.00 0.00 O ATOM 1696 NE2 GLN A 108 15.529 17.518 -6.021 1.00 0.00 N ATOM 1697 OXT GLN A 108 13.671 15.145 -10.712 1.00 0.00 O ATOM 0 H GLN A 108 13.170 12.153 -8.731 1.00 0.00 H new ATOM 0 HA GLN A 108 12.406 14.966 -8.616 1.00 0.00 H new ATOM 0 HB2 GLN A 108 13.517 14.835 -6.510 1.00 0.00 H new ATOM 0 HB3 GLN A 108 14.758 13.766 -7.134 1.00 0.00 H new ATOM 0 HG2 GLN A 108 15.731 15.559 -8.448 1.00 0.00 H new ATOM 0 HG3 GLN A 108 14.411 16.637 -8.041 1.00 0.00 H new ATOM 0 HE21 GLN A 108 14.857 18.099 -6.523 1.00 0.00 H new ATOM 0 HE22 GLN A 108 16.008 17.887 -5.200 1.00 0.00 H new TER 1706 GLN A 108