USER MOD reduce.3.24.130724 H: found=0, std=0, add=996, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 998 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 93 TYR OH : rot -3:sc= 1.2 USER MOD Set 1.2: A 98 MET CE :methyl -131:sc= -0.41 (180deg=-0.304) USER MOD Set 2.1: A 80 GLN : amide:sc= 0.561 K(o=1.7,f=0.098) USER MOD Set 2.2: A 115 TYR OH : rot -135:sc= 1.11 USER MOD Set 3.1: A 78 LYS NZ :NH3+ -156:sc= 2.18 (180deg=1.17) USER MOD Set 3.2: A 120 THR OG1 : rot 85:sc= 1.89 USER MOD Single : A 8 HIS : no HE2:sc= 0.304 K(o=0.3,f=-6.6!) USER MOD Single : A 9 LYS NZ :NH3+ 161:sc= 1.26 (180deg=1.19) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= -0.0574 (180deg=-0.297) USER MOD Single : A 22 THR OG1 : rot 50:sc= 0.942 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= -0.611 (180deg=-0.611) USER MOD Single : A 27 TYR OH : rot 68:sc= 0.138 USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.11) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 32 MET CE :methyl -179:sc= -0.0414 (180deg=-0.0488) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.924 USER MOD Single : A 41 THR OG1 : rot -30:sc= 0.431! USER MOD Single : A 59 SER OG : rot 180:sc= 0.112 USER MOD Single : A 62 THR OG1 : rot -169:sc= 0.722 USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 1.04 (180deg=0.887) USER MOD Single : A 64 LYS NZ :NH3+ -133:sc= -0.0677 (180deg=-0.55) USER MOD Single : A 65 MET CE :methyl 163:sc= -0.277 (180deg=-1.05) USER MOD Single : A 68 ASN : amide:sc= 1.23 K(o=1.2,f=-0.0038) USER MOD Single : A 70 LYS NZ :NH3+ -163:sc= 1.13 (180deg=0.648) USER MOD Single : A 71 LYS NZ :NH3+ -114:sc= -0.185 (180deg=-1.65!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 160:sc= -0.483! (180deg=-1.81!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot -8:sc= 2.53 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0.612 K(o=0.61,f=-5.5!) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.0969 F(o=-0.67,f=-0.097) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc= 0.481 K(o=0.48,f=-10!) USER MOD Single : A 119 ASN : amide:sc= -0.537 K(o=-0.54,f=-2.3) USER MOD Single : A 121 HIS : no HE2:sc= -0.353 X(o=-0.35,f=-0.49) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 LYS NZ :NH3+ 139:sc= -0.338 (180deg=-2.12!) USER MOD Single : A 128 SER OG : rot 90:sc= 1.09 USER MOD Single : A 131 GLN : amide:sc= 0.151 K(o=0.15,f=-3.2!) USER MOD Single : A 133 LYS NZ :NH3+ 165:sc= 0.86 (180deg=0.405) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 168:sc= 0.0282 (180deg=-0.207) USER MOD Single : A 138 ASN : amide:sc= 0.912 K(o=0.91,f=-0.0023) USER MOD Single : A 141 SER OG : rot -75:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 115 N HIS A 8 -5.118 -16.756 2.497 1.00 0.00 N ATOM 116 CA HIS A 8 -5.075 -17.397 1.183 1.00 0.00 C ATOM 117 C HIS A 8 -4.984 -16.387 0.064 1.00 0.00 C ATOM 118 O HIS A 8 -5.765 -15.432 0.013 1.00 0.00 O ATOM 119 CB HIS A 8 -6.269 -18.360 0.946 1.00 0.00 C ATOM 120 CG HIS A 8 -7.624 -17.704 0.886 1.00 0.00 C ATOM 121 ND1 HIS A 8 -8.424 -17.725 -0.227 1.00 0.00 N ATOM 122 CD2 HIS A 8 -8.313 -17.033 1.820 1.00 0.00 C ATOM 123 CE1 HIS A 8 -9.547 -17.103 0.030 1.00 0.00 C ATOM 124 NE2 HIS A 8 -9.508 -16.674 1.269 1.00 0.00 N ATOM 0 HA HIS A 8 -4.165 -17.997 1.177 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.102 -18.896 0.012 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.279 -19.103 1.743 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -8.182 -18.158 -1.118 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.982 -16.816 2.825 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -10.366 -16.966 -0.661 1.00 0.00 H new ATOM 133 N LYS A 9 -4.029 -16.594 -0.807 1.00 0.00 N ATOM 134 CA LYS A 9 -3.847 -15.781 -1.974 1.00 0.00 C ATOM 135 C LYS A 9 -4.596 -16.348 -3.133 1.00 0.00 C ATOM 136 O LYS A 9 -4.465 -17.530 -3.463 1.00 0.00 O ATOM 137 CB LYS A 9 -2.399 -15.705 -2.332 1.00 0.00 C ATOM 138 CG LYS A 9 -1.592 -14.808 -1.460 1.00 0.00 C ATOM 139 CD LYS A 9 -0.143 -15.046 -1.721 1.00 0.00 C ATOM 140 CE LYS A 9 0.759 -14.078 -1.009 1.00 0.00 C ATOM 141 NZ LYS A 9 2.141 -14.214 -1.502 1.00 0.00 N ATOM 0 H LYS A 9 -3.346 -17.347 -0.720 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.226 -14.784 -1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.975 -16.708 -2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.310 -15.364 -3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.843 -13.766 -1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.821 -14.998 -0.411 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.112 -16.061 -1.415 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.041 -14.981 -2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.407 -13.058 -1.167 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.728 -14.263 0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.681 -13.359 -1.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.588 -15.042 -1.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.131 -14.337 -2.535 1.00 0.00 H new ATOM 155 N GLU A 10 -5.359 -15.531 -3.725 1.00 0.00 N ATOM 156 CA GLU A 10 -6.130 -15.881 -4.891 1.00 0.00 C ATOM 157 C GLU A 10 -5.495 -15.156 -6.079 1.00 0.00 C ATOM 158 O GLU A 10 -5.164 -13.971 -5.957 1.00 0.00 O ATOM 159 CB GLU A 10 -7.586 -15.416 -4.722 1.00 0.00 C ATOM 160 CG GLU A 10 -8.311 -15.949 -3.487 1.00 0.00 C ATOM 161 CD GLU A 10 -8.588 -17.433 -3.524 1.00 0.00 C ATOM 162 OE1 GLU A 10 -9.538 -17.850 -4.214 1.00 0.00 O ATOM 163 OE2 GLU A 10 -7.929 -18.199 -2.792 1.00 0.00 O ATOM 0 H GLU A 10 -5.486 -14.565 -3.423 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.134 -16.960 -5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.599 -14.327 -4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.148 -15.713 -5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.713 -15.724 -2.604 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.256 -15.417 -3.376 1.00 0.00 H new ATOM 170 N PRO A 11 -5.263 -15.842 -7.204 1.00 0.00 N ATOM 171 CA PRO A 11 -4.666 -15.219 -8.394 1.00 0.00 C ATOM 172 C PRO A 11 -5.591 -14.154 -9.015 1.00 0.00 C ATOM 173 O PRO A 11 -6.798 -14.382 -9.195 1.00 0.00 O ATOM 174 CB PRO A 11 -4.470 -16.398 -9.361 1.00 0.00 C ATOM 175 CG PRO A 11 -5.443 -17.432 -8.907 1.00 0.00 C ATOM 176 CD PRO A 11 -5.553 -17.274 -7.417 1.00 0.00 C ATOM 0 HA PRO A 11 -3.741 -14.693 -8.160 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.662 -16.100 -10.392 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.448 -16.774 -9.324 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.412 -17.293 -9.386 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.099 -18.433 -9.169 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.546 -17.541 -7.057 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.841 -17.911 -6.891 1.00 0.00 H new ATOM 184 N ALA A 12 -5.036 -13.001 -9.317 1.00 0.00 N ATOM 185 CA ALA A 12 -5.801 -11.915 -9.890 1.00 0.00 C ATOM 186 C ALA A 12 -5.039 -11.245 -11.029 1.00 0.00 C ATOM 187 O ALA A 12 -3.868 -11.532 -11.265 1.00 0.00 O ATOM 188 CB ALA A 12 -6.129 -10.900 -8.816 1.00 0.00 C ATOM 0 H ALA A 12 -4.048 -12.790 -9.174 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.725 -12.324 -10.299 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.705 -10.083 -9.251 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.713 -11.378 -8.030 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.205 -10.507 -8.393 1.00 0.00 H new ATOM 194 N THR A 13 -5.712 -10.376 -11.743 1.00 0.00 N ATOM 195 CA THR A 13 -5.129 -9.620 -12.837 1.00 0.00 C ATOM 196 C THR A 13 -5.674 -8.195 -12.757 1.00 0.00 C ATOM 197 O THR A 13 -6.851 -8.022 -12.494 1.00 0.00 O ATOM 198 CB THR A 13 -5.520 -10.271 -14.186 1.00 0.00 C ATOM 199 OG1 THR A 13 -5.148 -11.658 -14.145 1.00 0.00 O ATOM 200 CG2 THR A 13 -4.801 -9.605 -15.355 1.00 0.00 C ATOM 0 H THR A 13 -6.697 -10.167 -11.582 1.00 0.00 H new ATOM 0 HA THR A 13 -4.041 -9.611 -12.766 1.00 0.00 H new ATOM 0 HB THR A 13 -6.594 -10.153 -14.332 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.390 -12.087 -14.992 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.098 -10.086 -16.287 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.067 -8.549 -15.391 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.723 -9.704 -15.223 1.00 0.00 H new ATOM 208 N LEU A 14 -4.843 -7.197 -12.968 1.00 0.00 N ATOM 209 CA LEU A 14 -5.267 -5.813 -12.795 1.00 0.00 C ATOM 210 C LEU A 14 -6.167 -5.339 -13.932 1.00 0.00 C ATOM 211 O LEU A 14 -6.044 -5.801 -15.083 1.00 0.00 O ATOM 212 CB LEU A 14 -4.062 -4.873 -12.714 1.00 0.00 C ATOM 213 CG LEU A 14 -4.403 -3.397 -12.475 1.00 0.00 C ATOM 214 CD1 LEU A 14 -4.838 -3.144 -11.039 1.00 0.00 C ATOM 215 CD2 LEU A 14 -3.274 -2.495 -12.897 1.00 0.00 C ATOM 0 H LEU A 14 -3.872 -7.311 -13.259 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.829 -5.785 -11.861 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.409 -5.214 -11.911 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.495 -4.953 -13.642 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.257 -3.152 -13.106 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.071 -2.087 -10.910 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.723 -3.740 -10.817 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.032 -3.423 -10.360 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.550 -1.457 -12.714 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.379 -2.739 -12.324 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.074 -2.635 -13.959 1.00 0.00 H new ATOM 227 N ILE A 15 -7.076 -4.445 -13.600 1.00 0.00 N ATOM 228 CA ILE A 15 -7.880 -3.770 -14.573 1.00 0.00 C ATOM 229 C ILE A 15 -7.477 -2.291 -14.573 1.00 0.00 C ATOM 230 O ILE A 15 -6.957 -1.786 -15.569 1.00 0.00 O ATOM 231 CB ILE A 15 -9.400 -3.941 -14.280 1.00 0.00 C ATOM 232 CG1 ILE A 15 -9.790 -5.420 -14.400 1.00 0.00 C ATOM 233 CG2 ILE A 15 -10.248 -3.087 -15.216 1.00 0.00 C ATOM 234 CD1 ILE A 15 -11.247 -5.697 -14.133 1.00 0.00 C ATOM 0 H ILE A 15 -7.272 -4.171 -12.637 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.708 -4.205 -15.558 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.591 -3.601 -13.262 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.543 -5.769 -15.402 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.187 -6.001 -13.702 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -11.303 -3.231 -14.984 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.988 -2.037 -15.086 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.060 -3.382 -16.248 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.440 -6.765 -14.238 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.498 -5.381 -13.120 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.859 -5.146 -14.847 1.00 0.00 H new ATOM 246 N LYS A 16 -7.633 -1.625 -13.424 1.00 0.00 N ATOM 247 CA LYS A 16 -7.236 -0.220 -13.260 1.00 0.00 C ATOM 248 C LYS A 16 -6.965 0.061 -11.799 1.00 0.00 C ATOM 249 O LYS A 16 -7.506 -0.616 -10.917 1.00 0.00 O ATOM 250 CB LYS A 16 -8.334 0.775 -13.719 1.00 0.00 C ATOM 251 CG LYS A 16 -8.669 0.782 -15.201 1.00 0.00 C ATOM 252 CD LYS A 16 -9.697 1.853 -15.514 1.00 0.00 C ATOM 253 CE LYS A 16 -10.145 1.806 -16.961 1.00 0.00 C ATOM 254 NZ LYS A 16 -10.781 0.518 -17.314 1.00 0.00 N ATOM 0 H LYS A 16 -8.036 -2.041 -12.584 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.350 -0.077 -13.879 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.246 0.555 -13.165 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.023 1.780 -13.435 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.764 0.959 -15.782 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.052 -0.195 -15.497 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.562 1.726 -14.863 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.275 2.834 -15.297 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.848 2.618 -17.147 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.285 1.973 -17.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.305 0.623 -18.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.048 -0.212 -17.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.437 0.236 -16.558 1.00 0.00 H new ATOM 268 N ALA A 17 -6.134 1.030 -11.535 1.00 0.00 N ATOM 269 CA ALA A 17 -5.928 1.483 -10.188 1.00 0.00 C ATOM 270 C ALA A 17 -6.912 2.612 -9.936 1.00 0.00 C ATOM 271 O ALA A 17 -7.145 3.449 -10.825 1.00 0.00 O ATOM 272 CB ALA A 17 -4.492 1.958 -9.983 1.00 0.00 C ATOM 0 H ALA A 17 -5.586 1.524 -12.239 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.093 0.667 -9.484 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.364 2.296 -8.955 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.805 1.136 -10.184 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.281 2.782 -10.664 1.00 0.00 H new ATOM 278 N ILE A 18 -7.521 2.627 -8.783 1.00 0.00 N ATOM 279 CA ILE A 18 -8.487 3.654 -8.468 1.00 0.00 C ATOM 280 C ILE A 18 -7.762 4.810 -7.828 1.00 0.00 C ATOM 281 O ILE A 18 -7.888 5.962 -8.247 1.00 0.00 O ATOM 282 CB ILE A 18 -9.616 3.115 -7.540 1.00 0.00 C ATOM 283 CG1 ILE A 18 -10.409 1.989 -8.241 1.00 0.00 C ATOM 284 CG2 ILE A 18 -10.546 4.224 -7.064 1.00 0.00 C ATOM 285 CD1 ILE A 18 -11.042 2.394 -9.564 1.00 0.00 C ATOM 0 H ILE A 18 -7.369 1.942 -8.043 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.973 3.986 -9.386 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.136 2.700 -6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.741 1.145 -8.415 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.193 1.641 -7.569 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.317 3.801 -6.420 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.973 4.965 -6.506 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -11.014 4.701 -7.925 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.578 1.544 -9.986 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.738 3.216 -9.398 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.264 2.713 -10.257 1.00 0.00 H new ATOM 297 N ASP A 19 -6.971 4.487 -6.855 1.00 0.00 N ATOM 298 CA ASP A 19 -6.149 5.432 -6.160 1.00 0.00 C ATOM 299 C ASP A 19 -5.061 4.611 -5.484 1.00 0.00 C ATOM 300 O ASP A 19 -4.726 3.542 -6.003 1.00 0.00 O ATOM 301 CB ASP A 19 -6.992 6.257 -5.161 1.00 0.00 C ATOM 302 CG ASP A 19 -6.278 7.509 -4.661 1.00 0.00 C ATOM 303 OD1 ASP A 19 -6.349 8.560 -5.344 1.00 0.00 O ATOM 304 OD2 ASP A 19 -5.660 7.456 -3.585 1.00 0.00 O ATOM 0 H ASP A 19 -6.875 3.532 -6.510 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.702 6.168 -6.829 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.928 6.547 -5.638 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.250 5.629 -4.308 1.00 0.00 H new ATOM 309 N GLY A 20 -4.517 5.069 -4.386 1.00 0.00 N ATOM 310 CA GLY A 20 -3.432 4.370 -3.746 1.00 0.00 C ATOM 311 C GLY A 20 -3.794 2.995 -3.207 1.00 0.00 C ATOM 312 O GLY A 20 -3.232 1.987 -3.640 1.00 0.00 O ATOM 0 H GLY A 20 -4.808 5.926 -3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.615 4.262 -4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.058 4.981 -2.924 1.00 0.00 H new ATOM 316 N ASP A 21 -4.716 2.951 -2.269 1.00 0.00 N ATOM 317 CA ASP A 21 -5.080 1.682 -1.612 1.00 0.00 C ATOM 318 C ASP A 21 -6.239 0.981 -2.305 1.00 0.00 C ATOM 319 O ASP A 21 -6.453 -0.217 -2.122 1.00 0.00 O ATOM 320 CB ASP A 21 -5.406 1.873 -0.099 1.00 0.00 C ATOM 321 CG ASP A 21 -6.550 2.841 0.168 1.00 0.00 C ATOM 322 OD1 ASP A 21 -7.641 2.655 -0.363 1.00 0.00 O ATOM 323 OD2 ASP A 21 -6.368 3.827 0.914 1.00 0.00 O ATOM 0 H ASP A 21 -5.233 3.765 -1.936 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.199 1.046 -1.696 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.654 0.904 0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.513 2.231 0.413 1.00 0.00 H new ATOM 328 N THR A 22 -6.989 1.721 -3.071 1.00 0.00 N ATOM 329 CA THR A 22 -8.127 1.180 -3.743 1.00 0.00 C ATOM 330 C THR A 22 -7.802 0.920 -5.222 1.00 0.00 C ATOM 331 O THR A 22 -7.372 1.823 -5.949 1.00 0.00 O ATOM 332 CB THR A 22 -9.327 2.141 -3.607 1.00 0.00 C ATOM 333 OG1 THR A 22 -9.547 2.434 -2.217 1.00 0.00 O ATOM 334 CG2 THR A 22 -10.591 1.525 -4.170 1.00 0.00 C ATOM 0 H THR A 22 -6.826 2.713 -3.244 1.00 0.00 H new ATOM 0 HA THR A 22 -8.391 0.229 -3.281 1.00 0.00 H new ATOM 0 HB THR A 22 -9.096 3.049 -4.165 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.703 2.710 -1.803 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.418 2.226 -4.059 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.446 1.299 -5.226 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.820 0.606 -3.630 1.00 0.00 H new ATOM 342 N VAL A 23 -7.988 -0.304 -5.657 1.00 0.00 N ATOM 343 CA VAL A 23 -7.725 -0.689 -7.034 1.00 0.00 C ATOM 344 C VAL A 23 -8.853 -1.560 -7.529 1.00 0.00 C ATOM 345 O VAL A 23 -9.691 -2.000 -6.740 1.00 0.00 O ATOM 346 CB VAL A 23 -6.373 -1.452 -7.213 1.00 0.00 C ATOM 347 CG1 VAL A 23 -5.184 -0.572 -6.861 1.00 0.00 C ATOM 348 CG2 VAL A 23 -6.349 -2.735 -6.387 1.00 0.00 C ATOM 0 H VAL A 23 -8.326 -1.066 -5.069 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.652 0.231 -7.614 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.293 -1.721 -8.266 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.261 -1.136 -6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.174 0.303 -7.511 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.263 -0.252 -5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.396 -3.244 -6.532 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.473 -2.491 -5.332 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.161 -3.388 -6.706 1.00 0.00 H new ATOM 358 N LYS A 24 -8.893 -1.800 -8.806 1.00 0.00 N ATOM 359 CA LYS A 24 -9.899 -2.637 -9.371 1.00 0.00 C ATOM 360 C LYS A 24 -9.234 -3.669 -10.234 1.00 0.00 C ATOM 361 O LYS A 24 -8.470 -3.336 -11.163 1.00 0.00 O ATOM 362 CB LYS A 24 -10.881 -1.818 -10.188 1.00 0.00 C ATOM 363 CG LYS A 24 -12.090 -2.614 -10.646 1.00 0.00 C ATOM 364 CD LYS A 24 -13.069 -1.760 -11.436 1.00 0.00 C ATOM 365 CE LYS A 24 -13.647 -0.635 -10.587 1.00 0.00 C ATOM 366 NZ LYS A 24 -14.634 0.166 -11.324 1.00 0.00 N ATOM 0 H LYS A 24 -8.229 -1.420 -9.481 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.457 -3.126 -8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.218 -0.968 -9.594 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.369 -1.414 -11.061 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.761 -3.451 -11.261 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.596 -3.036 -9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.565 -1.338 -12.305 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.879 -2.386 -11.810 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.115 -1.057 -9.698 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.839 0.012 -10.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.000 0.919 -10.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.182 0.591 -12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.419 -0.445 -11.628 1.00 0.00 H new ATOM 380 N LEU A 25 -9.487 -4.896 -9.946 1.00 0.00 N ATOM 381 CA LEU A 25 -8.877 -5.946 -10.667 1.00 0.00 C ATOM 382 C LEU A 25 -9.872 -7.027 -11.036 1.00 0.00 C ATOM 383 O LEU A 25 -11.015 -7.038 -10.554 1.00 0.00 O ATOM 384 CB LEU A 25 -7.620 -6.475 -9.922 1.00 0.00 C ATOM 385 CG LEU A 25 -7.757 -6.866 -8.441 1.00 0.00 C ATOM 386 CD1 LEU A 25 -8.587 -8.123 -8.257 1.00 0.00 C ATOM 387 CD2 LEU A 25 -6.385 -7.022 -7.810 1.00 0.00 C ATOM 0 H LEU A 25 -10.121 -5.196 -9.206 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.520 -5.550 -11.618 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.256 -7.348 -10.463 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.846 -5.711 -9.993 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.288 -6.060 -7.934 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.657 -8.361 -7.196 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.587 -7.961 -8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.114 -8.952 -8.784 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.496 -7.299 -6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.830 -7.800 -8.334 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.843 -6.079 -7.881 1.00 0.00 H new ATOM 399 N MET A 26 -9.444 -7.898 -11.893 1.00 0.00 N ATOM 400 CA MET A 26 -10.232 -8.990 -12.366 1.00 0.00 C ATOM 401 C MET A 26 -10.055 -10.132 -11.394 1.00 0.00 C ATOM 402 O MET A 26 -8.958 -10.713 -11.284 1.00 0.00 O ATOM 403 CB MET A 26 -9.750 -9.404 -13.766 1.00 0.00 C ATOM 404 CG MET A 26 -10.554 -10.518 -14.411 1.00 0.00 C ATOM 405 SD MET A 26 -9.951 -10.932 -16.062 1.00 0.00 S ATOM 406 CE MET A 26 -11.040 -12.300 -16.466 1.00 0.00 C ATOM 0 H MET A 26 -8.507 -7.868 -12.295 1.00 0.00 H new ATOM 0 HA MET A 26 -11.284 -8.711 -12.435 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.778 -8.531 -14.418 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.709 -9.719 -13.698 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.513 -11.405 -13.779 1.00 0.00 H new ATOM 0 HG3 MET A 26 -11.600 -10.219 -14.473 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.799 -12.675 -17.461 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.908 -13.098 -15.735 1.00 0.00 H new ATOM 0 HE3 MET A 26 -12.075 -11.959 -16.448 1.00 0.00 H new ATOM 416 N TYR A 27 -11.089 -10.423 -10.675 1.00 0.00 N ATOM 417 CA TYR A 27 -11.068 -11.436 -9.669 1.00 0.00 C ATOM 418 C TYR A 27 -12.054 -12.541 -10.017 1.00 0.00 C ATOM 419 O TYR A 27 -13.256 -12.324 -9.993 1.00 0.00 O ATOM 420 CB TYR A 27 -11.410 -10.793 -8.321 1.00 0.00 C ATOM 421 CG TYR A 27 -11.469 -11.760 -7.180 1.00 0.00 C ATOM 422 CD1 TYR A 27 -10.344 -12.453 -6.789 1.00 0.00 C ATOM 423 CD2 TYR A 27 -12.661 -11.995 -6.508 1.00 0.00 C ATOM 424 CE1 TYR A 27 -10.392 -13.352 -5.760 1.00 0.00 C ATOM 425 CE2 TYR A 27 -12.719 -12.899 -5.475 1.00 0.00 C ATOM 426 CZ TYR A 27 -11.579 -13.573 -5.103 1.00 0.00 C ATOM 427 OH TYR A 27 -11.625 -14.487 -4.077 1.00 0.00 O ATOM 0 H TYR A 27 -11.990 -9.955 -10.772 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.077 -11.886 -9.609 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.667 -10.028 -8.097 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.372 -10.288 -8.405 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.410 -12.283 -7.303 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.553 -11.461 -6.801 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.501 -13.886 -5.465 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.651 -13.079 -4.960 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.100 -14.155 -3.319 1.00 0.00 H new ATOM 437 N LYS A 28 -11.528 -13.709 -10.394 1.00 0.00 N ATOM 438 CA LYS A 28 -12.330 -14.893 -10.766 1.00 0.00 C ATOM 439 C LYS A 28 -13.285 -14.562 -11.916 1.00 0.00 C ATOM 440 O LYS A 28 -14.407 -15.089 -12.010 1.00 0.00 O ATOM 441 CB LYS A 28 -13.099 -15.461 -9.559 1.00 0.00 C ATOM 442 CG LYS A 28 -12.211 -15.908 -8.407 1.00 0.00 C ATOM 443 CD LYS A 28 -13.027 -16.584 -7.319 1.00 0.00 C ATOM 444 CE LYS A 28 -12.177 -16.943 -6.109 1.00 0.00 C ATOM 445 NZ LYS A 28 -11.063 -17.850 -6.436 1.00 0.00 N ATOM 0 H LYS A 28 -10.522 -13.868 -10.452 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.639 -15.665 -11.105 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.793 -14.703 -9.195 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.699 -16.309 -9.891 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.450 -16.596 -8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.688 -15.047 -7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.837 -15.923 -7.010 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.488 -17.487 -7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.777 -16.029 -5.669 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.809 -17.410 -5.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.614 -18.180 -5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.425 -18.667 -6.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.362 -17.344 -7.014 1.00 0.00 H new ATOM 459 N GLY A 29 -12.816 -13.713 -12.799 1.00 0.00 N ATOM 460 CA GLY A 29 -13.577 -13.331 -13.965 1.00 0.00 C ATOM 461 C GLY A 29 -14.420 -12.080 -13.772 1.00 0.00 C ATOM 462 O GLY A 29 -14.859 -11.467 -14.758 1.00 0.00 O ATOM 0 H GLY A 29 -11.900 -13.269 -12.730 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.891 -13.170 -14.797 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.230 -14.157 -14.246 1.00 0.00 H new ATOM 466 N GLN A 30 -14.627 -11.660 -12.543 1.00 0.00 N ATOM 467 CA GLN A 30 -15.445 -10.490 -12.300 1.00 0.00 C ATOM 468 C GLN A 30 -14.580 -9.314 -11.879 1.00 0.00 C ATOM 469 O GLN A 30 -13.605 -9.489 -11.144 1.00 0.00 O ATOM 470 CB GLN A 30 -16.563 -10.759 -11.261 1.00 0.00 C ATOM 471 CG GLN A 30 -16.073 -11.172 -9.879 1.00 0.00 C ATOM 472 CD GLN A 30 -17.192 -11.349 -8.871 1.00 0.00 C ATOM 473 OE1 GLN A 30 -18.328 -11.695 -9.223 1.00 0.00 O ATOM 474 NE2 GLN A 30 -16.893 -11.108 -7.616 1.00 0.00 N ATOM 0 H GLN A 30 -14.247 -12.103 -11.707 1.00 0.00 H new ATOM 0 HA GLN A 30 -15.941 -10.240 -13.238 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -17.169 -9.859 -11.161 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -17.216 -11.542 -11.647 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.518 -12.107 -9.963 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -15.376 -10.420 -9.509 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -15.946 -10.825 -7.363 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.607 -11.204 -6.894 1.00 0.00 H new ATOM 483 N PRO A 31 -14.876 -8.122 -12.371 1.00 0.00 N ATOM 484 CA PRO A 31 -14.159 -6.934 -11.969 1.00 0.00 C ATOM 485 C PRO A 31 -14.642 -6.473 -10.601 1.00 0.00 C ATOM 486 O PRO A 31 -15.843 -6.226 -10.403 1.00 0.00 O ATOM 487 CB PRO A 31 -14.522 -5.912 -13.045 1.00 0.00 C ATOM 488 CG PRO A 31 -15.855 -6.341 -13.558 1.00 0.00 C ATOM 489 CD PRO A 31 -15.936 -7.830 -13.361 1.00 0.00 C ATOM 0 HA PRO A 31 -13.083 -7.087 -11.883 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.565 -4.904 -12.632 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.779 -5.899 -13.842 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -16.657 -5.835 -13.021 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -15.965 -6.084 -14.611 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.917 -8.131 -12.994 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -15.767 -8.365 -14.295 1.00 0.00 H new ATOM 497 N MET A 32 -13.754 -6.410 -9.651 1.00 0.00 N ATOM 498 CA MET A 32 -14.133 -6.007 -8.345 1.00 0.00 C ATOM 499 C MET A 32 -13.125 -5.012 -7.793 1.00 0.00 C ATOM 500 O MET A 32 -11.916 -5.114 -8.064 1.00 0.00 O ATOM 501 CB MET A 32 -14.292 -7.235 -7.430 1.00 0.00 C ATOM 502 CG MET A 32 -14.998 -6.904 -6.137 1.00 0.00 C ATOM 503 SD MET A 32 -15.521 -8.343 -5.166 1.00 0.00 S ATOM 504 CE MET A 32 -13.960 -9.105 -4.763 1.00 0.00 C ATOM 0 H MET A 32 -12.765 -6.634 -9.765 1.00 0.00 H new ATOM 0 HA MET A 32 -15.101 -5.507 -8.388 1.00 0.00 H new ATOM 0 HB2 MET A 32 -14.851 -8.008 -7.958 1.00 0.00 H new ATOM 0 HB3 MET A 32 -13.308 -7.649 -7.208 1.00 0.00 H new ATOM 0 HG2 MET A 32 -14.336 -6.291 -5.525 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.875 -6.298 -6.363 1.00 0.00 H new ATOM 0 HE1 MET A 32 -14.136 -10.011 -4.183 1.00 0.00 H new ATOM 0 HE2 MET A 32 -13.432 -9.360 -5.682 1.00 0.00 H new ATOM 0 HE3 MET A 32 -13.357 -8.411 -4.178 1.00 0.00 H new ATOM 514 N THR A 33 -13.620 -4.040 -7.071 1.00 0.00 N ATOM 515 CA THR A 33 -12.801 -3.031 -6.471 1.00 0.00 C ATOM 516 C THR A 33 -12.332 -3.534 -5.100 1.00 0.00 C ATOM 517 O THR A 33 -13.123 -4.074 -4.321 1.00 0.00 O ATOM 518 CB THR A 33 -13.623 -1.741 -6.292 1.00 0.00 C ATOM 519 OG1 THR A 33 -14.350 -1.468 -7.500 1.00 0.00 O ATOM 520 CG2 THR A 33 -12.715 -0.562 -6.012 1.00 0.00 C ATOM 0 H THR A 33 -14.617 -3.930 -6.884 1.00 0.00 H new ATOM 0 HA THR A 33 -11.941 -2.821 -7.106 1.00 0.00 H new ATOM 0 HB THR A 33 -14.304 -1.883 -5.453 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.875 -0.648 -7.388 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.316 0.339 -5.889 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.148 -0.748 -5.100 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.026 -0.427 -6.846 1.00 0.00 H new ATOM 528 N PHE A 34 -11.071 -3.396 -4.835 1.00 0.00 N ATOM 529 CA PHE A 34 -10.476 -3.839 -3.586 1.00 0.00 C ATOM 530 C PHE A 34 -9.971 -2.675 -2.773 1.00 0.00 C ATOM 531 O PHE A 34 -9.431 -1.714 -3.331 1.00 0.00 O ATOM 532 CB PHE A 34 -9.316 -4.810 -3.843 1.00 0.00 C ATOM 533 CG PHE A 34 -9.729 -6.206 -4.210 1.00 0.00 C ATOM 534 CD1 PHE A 34 -10.369 -6.479 -5.402 1.00 0.00 C ATOM 535 CD2 PHE A 34 -9.459 -7.250 -3.349 1.00 0.00 C ATOM 536 CE1 PHE A 34 -10.733 -7.767 -5.724 1.00 0.00 C ATOM 537 CE2 PHE A 34 -9.820 -8.537 -3.666 1.00 0.00 C ATOM 538 CZ PHE A 34 -10.459 -8.798 -4.854 1.00 0.00 C ATOM 0 H PHE A 34 -10.406 -2.969 -5.480 1.00 0.00 H new ATOM 0 HA PHE A 34 -11.259 -4.350 -3.026 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.696 -4.408 -4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.694 -4.854 -2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.586 -5.674 -6.089 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.957 -7.053 -2.413 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.234 -7.969 -6.659 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.602 -9.343 -2.982 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.745 -9.809 -5.104 1.00 0.00 H new ATOM 548 N ARG A 35 -10.205 -2.735 -1.477 1.00 0.00 N ATOM 549 CA ARG A 35 -9.665 -1.780 -0.546 1.00 0.00 C ATOM 550 C ARG A 35 -9.419 -2.486 0.780 1.00 0.00 C ATOM 551 O ARG A 35 -10.364 -2.878 1.441 1.00 0.00 O ATOM 552 CB ARG A 35 -10.593 -0.584 -0.309 1.00 0.00 C ATOM 553 CG ARG A 35 -9.871 0.481 0.475 1.00 0.00 C ATOM 554 CD ARG A 35 -10.686 1.716 0.801 1.00 0.00 C ATOM 555 NE ARG A 35 -9.741 2.753 1.177 1.00 0.00 N ATOM 556 CZ ARG A 35 -9.819 3.644 2.148 1.00 0.00 C ATOM 557 NH1 ARG A 35 -10.963 3.860 2.809 1.00 0.00 N ATOM 558 NH2 ARG A 35 -8.734 4.359 2.414 1.00 0.00 N ATOM 0 H ARG A 35 -10.781 -3.456 -1.043 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.741 -1.389 -0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.929 -0.179 -1.264 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.483 -0.905 0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.517 0.043 1.409 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.989 0.787 -0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.279 2.026 -0.059 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.384 1.515 1.614 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.895 2.800 0.609 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.800 3.330 2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.997 4.554 3.556 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.880 4.210 1.876 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.753 5.058 3.157 1.00 0.00 H new ATOM 572 N LEU A 36 -8.177 -2.668 1.160 1.00 0.00 N ATOM 573 CA LEU A 36 -7.880 -3.330 2.427 1.00 0.00 C ATOM 574 C LEU A 36 -7.839 -2.312 3.558 1.00 0.00 C ATOM 575 O LEU A 36 -6.961 -1.445 3.589 1.00 0.00 O ATOM 576 CB LEU A 36 -6.551 -4.079 2.364 1.00 0.00 C ATOM 577 CG LEU A 36 -6.152 -4.825 3.642 1.00 0.00 C ATOM 578 CD1 LEU A 36 -7.116 -5.970 3.944 1.00 0.00 C ATOM 579 CD2 LEU A 36 -4.732 -5.326 3.547 1.00 0.00 C ATOM 0 H LEU A 36 -7.359 -2.375 0.625 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.674 -4.052 2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.597 -4.797 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.764 -3.366 2.120 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.211 -4.119 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.804 -6.478 4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.123 -5.573 4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.111 -6.678 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.470 -5.852 4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.642 -6.006 2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.057 -4.482 3.407 1.00 0.00 H new ATOM 591 N LEU A 37 -8.741 -2.448 4.513 1.00 0.00 N ATOM 592 CA LEU A 37 -8.862 -1.473 5.589 1.00 0.00 C ATOM 593 C LEU A 37 -7.845 -1.728 6.741 1.00 0.00 C ATOM 594 O LEU A 37 -8.214 -1.969 7.900 1.00 0.00 O ATOM 595 CB LEU A 37 -10.319 -1.408 6.101 1.00 0.00 C ATOM 596 CG LEU A 37 -10.870 -0.015 6.534 1.00 0.00 C ATOM 597 CD1 LEU A 37 -10.070 0.617 7.664 1.00 0.00 C ATOM 598 CD2 LEU A 37 -10.949 0.931 5.341 1.00 0.00 C ATOM 0 H LEU A 37 -9.402 -3.223 4.568 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.607 -0.496 5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.968 -1.797 5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.407 -2.083 6.952 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.875 -0.188 6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.503 1.584 7.920 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.096 -0.035 8.537 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.037 0.755 7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.336 1.896 5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.954 1.064 4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.613 0.510 4.586 1.00 0.00 H new ATOM 610 N LEU A 38 -6.588 -1.756 6.371 1.00 0.00 N ATOM 611 CA LEU A 38 -5.468 -1.733 7.315 1.00 0.00 C ATOM 612 C LEU A 38 -4.698 -0.464 7.046 1.00 0.00 C ATOM 613 O LEU A 38 -4.033 0.087 7.919 1.00 0.00 O ATOM 614 CB LEU A 38 -4.498 -2.959 7.191 1.00 0.00 C ATOM 615 CG LEU A 38 -4.856 -4.274 7.923 1.00 0.00 C ATOM 616 CD1 LEU A 38 -6.187 -4.820 7.498 1.00 0.00 C ATOM 617 CD2 LEU A 38 -3.791 -5.315 7.668 1.00 0.00 C ATOM 0 H LEU A 38 -6.297 -1.796 5.394 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.876 -1.782 8.325 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.393 -3.190 6.131 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.518 -2.641 7.546 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.912 -4.041 8.986 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.392 -5.743 8.040 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.966 -4.090 7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.171 -5.024 6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.052 -6.237 8.187 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.721 -5.509 6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.831 -4.951 8.035 1.00 0.00 H new ATOM 629 N VAL A 39 -4.844 0.023 5.824 1.00 0.00 N ATOM 630 CA VAL A 39 -4.155 1.195 5.364 1.00 0.00 C ATOM 631 C VAL A 39 -5.135 2.182 4.772 1.00 0.00 C ATOM 632 O VAL A 39 -6.246 1.811 4.389 1.00 0.00 O ATOM 633 CB VAL A 39 -3.050 0.864 4.310 1.00 0.00 C ATOM 634 CG1 VAL A 39 -1.945 0.043 4.937 1.00 0.00 C ATOM 635 CG2 VAL A 39 -3.630 0.129 3.100 1.00 0.00 C ATOM 0 H VAL A 39 -5.454 -0.397 5.123 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.664 1.633 6.233 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.635 1.810 3.962 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.185 -0.177 4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.495 0.604 5.756 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.358 -0.890 5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.833 -0.085 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.086 -0.806 3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.385 0.753 2.623 1.00 0.00 H new ATOM 645 N ASP A 40 -4.725 3.409 4.728 1.00 0.00 N ATOM 646 CA ASP A 40 -5.496 4.492 4.176 1.00 0.00 C ATOM 647 C ASP A 40 -4.556 5.414 3.444 1.00 0.00 C ATOM 648 O ASP A 40 -3.597 5.934 4.024 1.00 0.00 O ATOM 649 CB ASP A 40 -6.236 5.261 5.289 1.00 0.00 C ATOM 650 CG ASP A 40 -7.042 6.442 4.778 1.00 0.00 C ATOM 651 OD1 ASP A 40 -8.136 6.233 4.199 1.00 0.00 O ATOM 652 OD2 ASP A 40 -6.626 7.602 4.967 1.00 0.00 O ATOM 0 H ASP A 40 -3.815 3.701 5.085 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.247 4.096 3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.903 4.575 5.811 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.509 5.616 6.019 1.00 0.00 H new ATOM 657 N THR A 41 -4.751 5.537 2.179 1.00 0.00 N ATOM 658 CA THR A 41 -3.967 6.429 1.383 1.00 0.00 C ATOM 659 C THR A 41 -4.600 7.820 1.388 1.00 0.00 C ATOM 660 O THR A 41 -5.808 7.949 1.617 1.00 0.00 O ATOM 661 CB THR A 41 -3.782 5.884 -0.060 1.00 0.00 C ATOM 662 OG1 THR A 41 -5.040 5.479 -0.621 1.00 0.00 O ATOM 663 CG2 THR A 41 -2.820 4.711 -0.059 1.00 0.00 C ATOM 0 H THR A 41 -5.461 5.021 1.659 1.00 0.00 H new ATOM 0 HA THR A 41 -2.971 6.505 1.819 1.00 0.00 H new ATOM 0 HB THR A 41 -3.371 6.686 -0.673 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.633 5.169 0.095 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.699 4.339 -1.076 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.853 5.034 0.326 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.216 3.916 0.574 1.00 0.00 H new ATOM 671 N PRO A 42 -3.809 8.884 1.167 1.00 0.00 N ATOM 672 CA PRO A 42 -4.310 10.268 1.180 1.00 0.00 C ATOM 673 C PRO A 42 -5.163 10.631 -0.057 1.00 0.00 C ATOM 674 O PRO A 42 -5.013 11.735 -0.610 1.00 0.00 O ATOM 675 CB PRO A 42 -3.025 11.099 1.209 1.00 0.00 C ATOM 676 CG PRO A 42 -2.012 10.247 0.543 1.00 0.00 C ATOM 677 CD PRO A 42 -2.351 8.835 0.914 1.00 0.00 C ATOM 0 HA PRO A 42 -4.980 10.441 2.022 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.153 12.046 0.684 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.731 11.339 2.231 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.038 10.383 -0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.006 10.506 0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.106 8.139 0.111 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.801 8.509 1.797 1.00 0.00 H new ATOM 910 N GLU A 57 0.359 10.218 -4.644 1.00 0.00 N ATOM 911 CA GLU A 57 1.057 9.733 -5.838 1.00 0.00 C ATOM 912 C GLU A 57 1.071 8.198 -5.777 1.00 0.00 C ATOM 913 O GLU A 57 1.541 7.500 -6.687 1.00 0.00 O ATOM 914 CB GLU A 57 2.488 10.304 -5.906 1.00 0.00 C ATOM 915 CG GLU A 57 3.221 10.009 -7.213 1.00 0.00 C ATOM 916 CD GLU A 57 4.621 10.552 -7.235 1.00 0.00 C ATOM 917 OE1 GLU A 57 4.809 11.750 -7.566 1.00 0.00 O ATOM 918 OE2 GLU A 57 5.571 9.800 -6.922 1.00 0.00 O ATOM 0 HA GLU A 57 0.544 10.065 -6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.443 11.384 -5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.069 9.898 -5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.253 8.931 -7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.658 10.436 -8.043 1.00 0.00 H new ATOM 925 N ALA A 58 0.494 7.695 -4.685 1.00 0.00 N ATOM 926 CA ALA A 58 0.363 6.283 -4.394 1.00 0.00 C ATOM 927 C ALA A 58 -0.334 5.568 -5.531 1.00 0.00 C ATOM 928 O ALA A 58 0.073 4.502 -5.915 1.00 0.00 O ATOM 929 CB ALA A 58 -0.435 6.106 -3.113 1.00 0.00 C ATOM 0 H ALA A 58 0.093 8.288 -3.958 1.00 0.00 H new ATOM 0 HA ALA A 58 1.358 5.854 -4.272 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.536 5.044 -2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.082 6.601 -2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.425 6.546 -3.237 1.00 0.00 H new ATOM 935 N SER A 59 -1.340 6.225 -6.100 1.00 0.00 N ATOM 936 CA SER A 59 -2.143 5.712 -7.195 1.00 0.00 C ATOM 937 C SER A 59 -1.257 5.224 -8.357 1.00 0.00 C ATOM 938 O SER A 59 -1.467 4.141 -8.911 1.00 0.00 O ATOM 939 CB SER A 59 -3.021 6.861 -7.665 1.00 0.00 C ATOM 940 OG SER A 59 -3.528 7.563 -6.532 1.00 0.00 O ATOM 0 H SER A 59 -1.624 7.157 -5.800 1.00 0.00 H new ATOM 0 HA SER A 59 -2.736 4.860 -6.863 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.446 7.537 -8.298 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.844 6.481 -8.269 1.00 0.00 H new ATOM 0 HG SER A 59 -4.093 8.305 -6.833 1.00 0.00 H new ATOM 946 N ALA A 60 -0.240 6.006 -8.671 1.00 0.00 N ATOM 947 CA ALA A 60 0.652 5.700 -9.762 1.00 0.00 C ATOM 948 C ALA A 60 1.674 4.660 -9.344 1.00 0.00 C ATOM 949 O ALA A 60 2.065 3.800 -10.141 1.00 0.00 O ATOM 950 CB ALA A 60 1.345 6.960 -10.237 1.00 0.00 C ATOM 0 H ALA A 60 -0.014 6.868 -8.175 1.00 0.00 H new ATOM 0 HA ALA A 60 0.065 5.290 -10.584 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.016 6.718 -11.061 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.600 7.680 -10.576 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.919 7.391 -9.417 1.00 0.00 H new ATOM 956 N PHE A 61 2.083 4.728 -8.086 1.00 0.00 N ATOM 957 CA PHE A 61 3.069 3.816 -7.545 1.00 0.00 C ATOM 958 C PHE A 61 2.495 2.391 -7.481 1.00 0.00 C ATOM 959 O PHE A 61 3.157 1.420 -7.888 1.00 0.00 O ATOM 960 CB PHE A 61 3.528 4.291 -6.167 1.00 0.00 C ATOM 961 CG PHE A 61 4.697 3.519 -5.602 1.00 0.00 C ATOM 962 CD1 PHE A 61 5.923 3.517 -6.248 1.00 0.00 C ATOM 963 CD2 PHE A 61 4.573 2.814 -4.420 1.00 0.00 C ATOM 964 CE1 PHE A 61 6.995 2.823 -5.724 1.00 0.00 C ATOM 965 CE2 PHE A 61 5.641 2.122 -3.888 1.00 0.00 C ATOM 966 CZ PHE A 61 6.854 2.126 -4.542 1.00 0.00 C ATOM 0 H PHE A 61 1.739 5.416 -7.416 1.00 0.00 H new ATOM 0 HA PHE A 61 3.939 3.800 -8.202 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.800 5.345 -6.231 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.691 4.219 -5.473 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.041 4.064 -7.171 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.624 2.805 -3.904 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.944 2.826 -6.239 1.00 0.00 H new ATOM 0 HE2 PHE A 61 5.527 1.579 -2.962 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.693 1.584 -4.130 1.00 0.00 H new ATOM 976 N THR A 62 1.261 2.287 -6.987 1.00 0.00 N ATOM 977 CA THR A 62 0.531 1.033 -6.927 1.00 0.00 C ATOM 978 C THR A 62 0.374 0.471 -8.344 1.00 0.00 C ATOM 979 O THR A 62 0.693 -0.695 -8.609 1.00 0.00 O ATOM 980 CB THR A 62 -0.887 1.268 -6.331 1.00 0.00 C ATOM 981 OG1 THR A 62 -0.787 1.942 -5.075 1.00 0.00 O ATOM 982 CG2 THR A 62 -1.623 -0.045 -6.132 1.00 0.00 C ATOM 0 H THR A 62 0.741 3.082 -6.615 1.00 0.00 H new ATOM 0 HA THR A 62 1.082 0.334 -6.298 1.00 0.00 H new ATOM 0 HB THR A 62 -1.446 1.881 -7.038 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.658 1.928 -4.626 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.611 0.151 -5.714 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.729 -0.552 -7.091 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.059 -0.678 -5.447 1.00 0.00 H new ATOM 990 N LYS A 63 -0.070 1.341 -9.246 1.00 0.00 N ATOM 991 CA LYS A 63 -0.332 1.008 -10.634 1.00 0.00 C ATOM 992 C LYS A 63 0.896 0.381 -11.301 1.00 0.00 C ATOM 993 O LYS A 63 0.817 -0.719 -11.841 1.00 0.00 O ATOM 994 CB LYS A 63 -0.771 2.279 -11.372 1.00 0.00 C ATOM 995 CG LYS A 63 -1.097 2.100 -12.838 1.00 0.00 C ATOM 996 CD LYS A 63 -1.525 3.420 -13.454 1.00 0.00 C ATOM 997 CE LYS A 63 -1.725 3.306 -14.956 1.00 0.00 C ATOM 998 NZ LYS A 63 -0.456 3.057 -15.676 1.00 0.00 N ATOM 0 H LYS A 63 -0.261 2.318 -9.023 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.129 0.266 -10.680 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.649 2.685 -10.869 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.021 3.023 -11.282 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.226 1.712 -13.365 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.893 1.364 -12.952 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.452 3.754 -12.989 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.772 4.179 -13.245 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.424 2.497 -15.166 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.178 4.224 -15.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.620 3.122 -16.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.249 3.767 -15.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.104 2.107 -15.441 1.00 0.00 H new ATOM 1012 N LYS A 64 2.029 1.053 -11.202 1.00 0.00 N ATOM 1013 CA LYS A 64 3.259 0.590 -11.833 1.00 0.00 C ATOM 1014 C LYS A 64 3.690 -0.792 -11.365 1.00 0.00 C ATOM 1015 O LYS A 64 4.039 -1.655 -12.192 1.00 0.00 O ATOM 1016 CB LYS A 64 4.394 1.588 -11.637 1.00 0.00 C ATOM 1017 CG LYS A 64 4.218 2.881 -12.407 1.00 0.00 C ATOM 1018 CD LYS A 64 5.376 3.826 -12.156 1.00 0.00 C ATOM 1019 CE LYS A 64 5.307 5.035 -13.067 1.00 0.00 C ATOM 1020 NZ LYS A 64 5.383 4.643 -14.492 1.00 0.00 N ATOM 0 H LYS A 64 2.126 1.928 -10.687 1.00 0.00 H new ATOM 0 HA LYS A 64 3.033 0.512 -12.897 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.482 1.819 -10.575 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.331 1.121 -11.940 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.144 2.666 -13.473 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.284 3.359 -12.113 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.364 4.151 -11.116 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.318 3.301 -12.315 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.378 5.576 -12.886 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.124 5.717 -12.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.069 5.251 -14.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.686 3.651 -14.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.447 4.751 -14.932 1.00 0.00 H new ATOM 1034 N MET A 65 3.625 -1.030 -10.069 1.00 0.00 N ATOM 1035 CA MET A 65 4.092 -2.298 -9.530 1.00 0.00 C ATOM 1036 C MET A 65 3.210 -3.454 -9.968 1.00 0.00 C ATOM 1037 O MET A 65 3.719 -4.511 -10.343 1.00 0.00 O ATOM 1038 CB MET A 65 4.260 -2.277 -7.998 1.00 0.00 C ATOM 1039 CG MET A 65 2.968 -2.195 -7.200 1.00 0.00 C ATOM 1040 SD MET A 65 3.241 -2.186 -5.428 1.00 0.00 S ATOM 1041 CE MET A 65 4.146 -0.665 -5.255 1.00 0.00 C ATOM 0 H MET A 65 3.260 -0.375 -9.377 1.00 0.00 H new ATOM 0 HA MET A 65 5.086 -2.453 -9.950 1.00 0.00 H new ATOM 0 HB2 MET A 65 4.797 -3.176 -7.696 1.00 0.00 H new ATOM 0 HB3 MET A 65 4.887 -1.427 -7.730 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.428 -1.291 -7.484 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.332 -3.041 -7.460 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.135 -0.352 -4.211 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.176 -0.816 -5.578 1.00 0.00 H new ATOM 0 HE3 MET A 65 3.682 0.106 -5.870 1.00 0.00 H new ATOM 1051 N VAL A 66 1.899 -3.238 -9.984 1.00 0.00 N ATOM 1052 CA VAL A 66 0.975 -4.303 -10.343 1.00 0.00 C ATOM 1053 C VAL A 66 0.929 -4.546 -11.853 1.00 0.00 C ATOM 1054 O VAL A 66 0.682 -5.659 -12.284 1.00 0.00 O ATOM 1055 CB VAL A 66 -0.463 -4.114 -9.775 1.00 0.00 C ATOM 1056 CG1 VAL A 66 -0.465 -4.234 -8.261 1.00 0.00 C ATOM 1057 CG2 VAL A 66 -1.036 -2.780 -10.181 1.00 0.00 C ATOM 0 H VAL A 66 1.458 -2.347 -9.756 1.00 0.00 H new ATOM 0 HA VAL A 66 1.382 -5.192 -9.862 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.088 -4.903 -10.193 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.480 -4.099 -7.887 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.101 -5.220 -7.974 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.184 -3.469 -7.835 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.040 -2.675 -9.771 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.402 -1.980 -9.798 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.080 -2.719 -11.268 1.00 0.00 H new ATOM 1067 N GLU A 67 1.194 -3.513 -12.660 1.00 0.00 N ATOM 1068 CA GLU A 67 1.211 -3.692 -14.112 1.00 0.00 C ATOM 1069 C GLU A 67 2.400 -4.528 -14.532 1.00 0.00 C ATOM 1070 O GLU A 67 2.311 -5.344 -15.447 1.00 0.00 O ATOM 1071 CB GLU A 67 1.242 -2.367 -14.868 1.00 0.00 C ATOM 1072 CG GLU A 67 0.008 -1.515 -14.708 1.00 0.00 C ATOM 1073 CD GLU A 67 0.055 -0.299 -15.588 1.00 0.00 C ATOM 1074 OE1 GLU A 67 0.650 0.720 -15.193 1.00 0.00 O ATOM 1075 OE2 GLU A 67 -0.503 -0.333 -16.707 1.00 0.00 O ATOM 0 H GLU A 67 1.395 -2.566 -12.340 1.00 0.00 H new ATOM 0 HA GLU A 67 0.283 -4.204 -14.368 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.107 -1.794 -14.533 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.388 -2.574 -15.928 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.876 -2.105 -14.950 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.089 -1.207 -13.667 1.00 0.00 H new ATOM 1082 N ASN A 68 3.506 -4.336 -13.855 1.00 0.00 N ATOM 1083 CA ASN A 68 4.727 -5.070 -14.169 1.00 0.00 C ATOM 1084 C ASN A 68 4.745 -6.412 -13.501 1.00 0.00 C ATOM 1085 O ASN A 68 5.530 -7.288 -13.872 1.00 0.00 O ATOM 1086 CB ASN A 68 5.968 -4.277 -13.775 1.00 0.00 C ATOM 1087 CG ASN A 68 6.248 -3.120 -14.696 1.00 0.00 C ATOM 1088 OD1 ASN A 68 6.974 -3.255 -15.682 1.00 0.00 O ATOM 1089 ND2 ASN A 68 5.705 -1.979 -14.389 1.00 0.00 N ATOM 0 H ASN A 68 3.595 -3.679 -13.080 1.00 0.00 H new ATOM 0 HA ASN A 68 4.740 -5.220 -15.248 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.845 -3.903 -12.759 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.830 -4.944 -13.767 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.875 -1.160 -14.972 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.109 -1.903 -13.565 1.00 0.00 H new ATOM 1096 N ALA A 69 3.870 -6.576 -12.531 1.00 0.00 N ATOM 1097 CA ALA A 69 3.775 -7.792 -11.762 1.00 0.00 C ATOM 1098 C ALA A 69 3.410 -8.958 -12.639 1.00 0.00 C ATOM 1099 O ALA A 69 2.448 -8.893 -13.417 1.00 0.00 O ATOM 1100 CB ALA A 69 2.753 -7.642 -10.665 1.00 0.00 C ATOM 0 H ALA A 69 3.199 -5.859 -12.254 1.00 0.00 H new ATOM 0 HA ALA A 69 4.752 -7.983 -11.318 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.694 -8.569 -10.094 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.046 -6.826 -10.004 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.779 -7.422 -11.103 1.00 0.00 H new ATOM 1106 N LYS A 70 4.190 -9.999 -12.539 1.00 0.00 N ATOM 1107 CA LYS A 70 3.942 -11.197 -13.286 1.00 0.00 C ATOM 1108 C LYS A 70 2.793 -11.952 -12.644 1.00 0.00 C ATOM 1109 O LYS A 70 1.886 -12.441 -13.310 1.00 0.00 O ATOM 1110 CB LYS A 70 5.202 -12.050 -13.298 1.00 0.00 C ATOM 1111 CG LYS A 70 6.441 -11.318 -13.814 1.00 0.00 C ATOM 1112 CD LYS A 70 6.207 -10.663 -15.167 1.00 0.00 C ATOM 1113 CE LYS A 70 7.403 -9.829 -15.593 1.00 0.00 C ATOM 1114 NZ LYS A 70 7.720 -8.748 -14.622 1.00 0.00 N ATOM 0 H LYS A 70 5.013 -10.039 -11.938 1.00 0.00 H new ATOM 0 HA LYS A 70 3.674 -10.953 -14.314 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.397 -12.406 -12.287 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.027 -12.930 -13.918 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.737 -10.557 -13.092 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.269 -12.022 -13.893 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.012 -11.431 -15.916 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.320 -10.032 -15.119 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.272 -10.477 -15.706 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.205 -9.388 -16.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.336 -8.043 -15.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.839 -8.290 -14.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.207 -9.154 -13.798 1.00 0.00 H new ATOM 1128 N LYS A 71 2.840 -12.019 -11.344 1.00 0.00 N ATOM 1129 CA LYS A 71 1.815 -12.673 -10.573 1.00 0.00 C ATOM 1130 C LYS A 71 1.158 -11.682 -9.603 1.00 0.00 C ATOM 1131 O LYS A 71 1.819 -11.102 -8.749 1.00 0.00 O ATOM 1132 CB LYS A 71 2.397 -13.903 -9.837 1.00 0.00 C ATOM 1133 CG LYS A 71 3.556 -13.590 -8.894 1.00 0.00 C ATOM 1134 CD LYS A 71 4.277 -14.829 -8.314 1.00 0.00 C ATOM 1135 CE LYS A 71 3.396 -15.766 -7.468 1.00 0.00 C ATOM 1136 NZ LYS A 71 2.508 -16.636 -8.278 1.00 0.00 N ATOM 0 H LYS A 71 3.593 -11.620 -10.784 1.00 0.00 H new ATOM 0 HA LYS A 71 1.038 -13.032 -11.247 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.600 -14.379 -9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.734 -14.627 -10.578 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.285 -12.980 -9.428 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.180 -12.987 -8.068 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.700 -15.402 -9.139 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.111 -14.489 -7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.037 -16.392 -6.847 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.786 -15.166 -6.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.516 -16.376 -8.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.728 -16.513 -9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.657 -17.630 -8.010 1.00 0.00 H new ATOM 1150 N ILE A 72 -0.110 -11.453 -9.777 1.00 0.00 N ATOM 1151 CA ILE A 72 -0.863 -10.585 -8.888 1.00 0.00 C ATOM 1152 C ILE A 72 -1.714 -11.462 -8.002 1.00 0.00 C ATOM 1153 O ILE A 72 -2.480 -12.295 -8.503 1.00 0.00 O ATOM 1154 CB ILE A 72 -1.772 -9.610 -9.675 1.00 0.00 C ATOM 1155 CG1 ILE A 72 -0.925 -8.805 -10.663 1.00 0.00 C ATOM 1156 CG2 ILE A 72 -2.519 -8.674 -8.714 1.00 0.00 C ATOM 1157 CD1 ILE A 72 -1.704 -7.797 -11.473 1.00 0.00 C ATOM 0 H ILE A 72 -0.661 -11.857 -10.535 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.168 -9.983 -8.302 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.514 -10.184 -10.229 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.142 -8.284 -10.112 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.429 -9.496 -11.345 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.153 -7.996 -9.286 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.137 -9.265 -8.038 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.798 -8.096 -8.136 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.028 -7.271 -12.147 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.469 -8.311 -12.055 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.178 -7.080 -10.803 1.00 0.00 H new ATOM 1169 N GLU A 73 -1.563 -11.322 -6.712 1.00 0.00 N ATOM 1170 CA GLU A 73 -2.281 -12.174 -5.789 1.00 0.00 C ATOM 1171 C GLU A 73 -3.075 -11.327 -4.820 1.00 0.00 C ATOM 1172 O GLU A 73 -2.608 -10.265 -4.395 1.00 0.00 O ATOM 1173 CB GLU A 73 -1.299 -13.039 -4.985 1.00 0.00 C ATOM 1174 CG GLU A 73 -0.129 -13.578 -5.806 1.00 0.00 C ATOM 1175 CD GLU A 73 0.814 -14.442 -5.005 1.00 0.00 C ATOM 1176 OE1 GLU A 73 1.595 -13.918 -4.174 1.00 0.00 O ATOM 1177 OE2 GLU A 73 0.806 -15.676 -5.207 1.00 0.00 O ATOM 0 H GLU A 73 -0.954 -10.631 -6.274 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.949 -12.815 -6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.907 -12.450 -4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.842 -13.878 -4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.518 -14.157 -6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.426 -12.740 -6.228 1.00 0.00 H new ATOM 1184 N VAL A 74 -4.265 -11.766 -4.497 1.00 0.00 N ATOM 1185 CA VAL A 74 -5.069 -11.113 -3.490 1.00 0.00 C ATOM 1186 C VAL A 74 -5.244 -12.072 -2.299 1.00 0.00 C ATOM 1187 O VAL A 74 -5.787 -13.171 -2.433 1.00 0.00 O ATOM 1188 CB VAL A 74 -6.451 -10.595 -4.036 1.00 0.00 C ATOM 1189 CG1 VAL A 74 -6.248 -9.577 -5.134 1.00 0.00 C ATOM 1190 CG2 VAL A 74 -7.314 -11.710 -4.564 1.00 0.00 C ATOM 0 H VAL A 74 -4.704 -12.583 -4.922 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.545 -10.215 -3.165 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.961 -10.136 -3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.217 -9.234 -5.496 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.685 -8.729 -4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.695 -10.033 -5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.256 -11.300 -4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.798 -12.214 -5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.514 -12.424 -3.765 1.00 0.00 H new ATOM 1200 N GLU A 75 -4.728 -11.692 -1.179 1.00 0.00 N ATOM 1201 CA GLU A 75 -4.726 -12.529 -0.005 1.00 0.00 C ATOM 1202 C GLU A 75 -5.831 -12.093 0.940 1.00 0.00 C ATOM 1203 O GLU A 75 -5.783 -11.007 1.503 1.00 0.00 O ATOM 1204 CB GLU A 75 -3.367 -12.413 0.650 1.00 0.00 C ATOM 1205 CG GLU A 75 -3.107 -13.281 1.860 1.00 0.00 C ATOM 1206 CD GLU A 75 -1.734 -12.987 2.429 1.00 0.00 C ATOM 1207 OE1 GLU A 75 -1.566 -11.918 3.068 1.00 0.00 O ATOM 1208 OE2 GLU A 75 -0.782 -13.766 2.190 1.00 0.00 O ATOM 0 H GLU A 75 -4.288 -10.782 -1.041 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.912 -13.570 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.610 -12.643 -0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.221 -11.373 0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.869 -13.099 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.177 -14.333 1.584 1.00 0.00 H new ATOM 1215 N PHE A 76 -6.834 -12.914 1.071 1.00 0.00 N ATOM 1216 CA PHE A 76 -7.965 -12.598 1.922 1.00 0.00 C ATOM 1217 C PHE A 76 -7.715 -13.029 3.337 1.00 0.00 C ATOM 1218 O PHE A 76 -7.207 -14.157 3.583 1.00 0.00 O ATOM 1219 CB PHE A 76 -9.243 -13.233 1.408 1.00 0.00 C ATOM 1220 CG PHE A 76 -9.723 -12.651 0.125 1.00 0.00 C ATOM 1221 CD1 PHE A 76 -10.556 -11.547 0.126 1.00 0.00 C ATOM 1222 CD2 PHE A 76 -9.353 -13.204 -1.077 1.00 0.00 C ATOM 1223 CE1 PHE A 76 -11.008 -11.006 -1.053 1.00 0.00 C ATOM 1224 CE2 PHE A 76 -9.800 -12.668 -2.255 1.00 0.00 C ATOM 1225 CZ PHE A 76 -10.630 -11.570 -2.244 1.00 0.00 C ATOM 0 H PHE A 76 -6.899 -13.816 0.599 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.087 -11.515 1.901 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.079 -14.302 1.274 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.023 -13.122 2.162 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.855 -11.105 1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.705 -14.068 -1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.657 -10.142 -1.042 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.501 -13.108 -3.195 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.984 -11.152 -3.175 1.00 0.00 H new ATOM 1235 N ASP A 77 -8.095 -12.151 4.258 1.00 0.00 N ATOM 1236 CA ASP A 77 -7.904 -12.358 5.681 1.00 0.00 C ATOM 1237 C ASP A 77 -9.057 -13.232 6.217 1.00 0.00 C ATOM 1238 O ASP A 77 -9.953 -13.601 5.445 1.00 0.00 O ATOM 1239 CB ASP A 77 -7.842 -11.008 6.404 1.00 0.00 C ATOM 1240 CG ASP A 77 -7.075 -11.076 7.707 1.00 0.00 C ATOM 1241 OD1 ASP A 77 -7.645 -11.481 8.716 1.00 0.00 O ATOM 1242 OD2 ASP A 77 -5.872 -10.741 7.734 1.00 0.00 O ATOM 0 H ASP A 77 -8.549 -11.266 4.031 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.960 -12.872 5.863 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.374 -10.272 5.750 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.856 -10.660 6.602 1.00 0.00 H new ATOM 1247 N LYS A 78 -9.091 -13.522 7.514 1.00 0.00 N ATOM 1248 CA LYS A 78 -10.065 -14.509 8.026 1.00 0.00 C ATOM 1249 C LYS A 78 -11.443 -13.903 8.257 1.00 0.00 C ATOM 1250 O LYS A 78 -12.445 -14.618 8.264 1.00 0.00 O ATOM 1251 CB LYS A 78 -9.593 -15.243 9.326 1.00 0.00 C ATOM 1252 CG LYS A 78 -9.766 -14.480 10.663 1.00 0.00 C ATOM 1253 CD LYS A 78 -8.858 -13.290 10.816 1.00 0.00 C ATOM 1254 CE LYS A 78 -7.386 -13.657 10.874 1.00 0.00 C ATOM 1255 NZ LYS A 78 -6.567 -12.438 10.947 1.00 0.00 N ATOM 0 H LYS A 78 -8.481 -13.109 8.219 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.134 -15.254 7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.136 -16.185 9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.538 -15.492 9.211 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.800 -14.147 10.747 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.585 -15.169 11.488 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.022 -12.608 9.982 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.127 -12.752 11.725 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.194 -14.287 11.742 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.112 -14.237 9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.612 -12.639 10.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.005 -11.691 10.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.504 -12.121 11.935 1.00 0.00 H new ATOM 1269 N GLY A 79 -11.500 -12.596 8.422 1.00 0.00 N ATOM 1270 CA GLY A 79 -12.760 -11.953 8.744 1.00 0.00 C ATOM 1271 C GLY A 79 -13.642 -11.756 7.538 1.00 0.00 C ATOM 1272 O GLY A 79 -14.127 -12.725 6.936 1.00 0.00 O ATOM 0 H GLY A 79 -10.702 -11.966 8.340 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.291 -12.554 9.482 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.561 -10.985 9.205 1.00 0.00 H new ATOM 1276 N GLN A 80 -13.832 -10.526 7.165 1.00 0.00 N ATOM 1277 CA GLN A 80 -14.655 -10.208 6.033 1.00 0.00 C ATOM 1278 C GLN A 80 -13.880 -10.325 4.770 1.00 0.00 C ATOM 1279 O GLN A 80 -12.700 -9.970 4.707 1.00 0.00 O ATOM 1280 CB GLN A 80 -15.304 -8.844 6.147 1.00 0.00 C ATOM 1281 CG GLN A 80 -16.440 -8.813 7.131 1.00 0.00 C ATOM 1282 CD GLN A 80 -17.047 -7.434 7.319 1.00 0.00 C ATOM 1283 OE1 GLN A 80 -17.546 -7.102 8.397 1.00 0.00 O ATOM 1284 NE2 GLN A 80 -17.042 -6.625 6.282 1.00 0.00 N ATOM 0 H GLN A 80 -13.424 -9.717 7.633 1.00 0.00 H new ATOM 0 HA GLN A 80 -15.465 -10.937 6.016 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.552 -8.114 6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -15.671 -8.540 5.167 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -17.217 -9.500 6.797 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -16.085 -9.178 8.094 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -16.622 -6.926 5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -17.458 -5.697 6.357 1.00 0.00 H new ATOM 1293 N ARG A 81 -14.524 -10.847 3.786 1.00 0.00 N ATOM 1294 CA ARG A 81 -13.909 -11.054 2.505 1.00 0.00 C ATOM 1295 C ARG A 81 -14.002 -9.774 1.721 1.00 0.00 C ATOM 1296 O ARG A 81 -13.106 -9.399 0.970 1.00 0.00 O ATOM 1297 CB ARG A 81 -14.648 -12.143 1.773 1.00 0.00 C ATOM 1298 CG ARG A 81 -13.774 -12.977 0.903 1.00 0.00 C ATOM 1299 CD ARG A 81 -12.855 -13.822 1.766 1.00 0.00 C ATOM 1300 NE ARG A 81 -13.621 -14.716 2.654 1.00 0.00 N ATOM 1301 CZ ARG A 81 -13.566 -14.730 4.004 1.00 0.00 C ATOM 1302 NH1 ARG A 81 -12.711 -13.948 4.663 1.00 0.00 N ATOM 1303 NH2 ARG A 81 -14.356 -15.546 4.682 1.00 0.00 N ATOM 0 H ARG A 81 -15.498 -11.147 3.839 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.865 -11.344 2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -15.143 -12.787 2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.430 -11.692 1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.383 -13.618 0.266 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.186 -12.339 0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -12.199 -14.415 1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -12.216 -13.172 2.364 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.250 -15.385 2.209 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -12.086 -13.328 4.148 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.681 -13.970 5.682 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -15.002 -16.160 4.186 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.319 -15.561 5.701 1.00 0.00 H new ATOM 1317 N THR A 82 -15.088 -9.104 1.925 1.00 0.00 N ATOM 1318 CA THR A 82 -15.379 -7.874 1.295 1.00 0.00 C ATOM 1319 C THR A 82 -15.932 -6.926 2.340 1.00 0.00 C ATOM 1320 O THR A 82 -16.507 -7.368 3.363 1.00 0.00 O ATOM 1321 CB THR A 82 -16.424 -8.070 0.154 1.00 0.00 C ATOM 1322 OG1 THR A 82 -17.561 -8.801 0.646 1.00 0.00 O ATOM 1323 CG2 THR A 82 -15.830 -8.813 -1.043 1.00 0.00 C ATOM 0 H THR A 82 -15.821 -9.417 2.562 1.00 0.00 H new ATOM 0 HA THR A 82 -14.470 -7.467 0.852 1.00 0.00 H new ATOM 0 HB THR A 82 -16.730 -7.078 -0.178 1.00 0.00 H new ATOM 0 HG1 THR A 82 -18.213 -8.918 -0.077 1.00 0.00 H new ATOM 0 HG21 THR A 82 -16.592 -8.928 -1.814 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.991 -8.245 -1.444 1.00 0.00 H new ATOM 0 HG23 THR A 82 -15.484 -9.797 -0.725 1.00 0.00 H new ATOM 1331 N ASP A 83 -15.708 -5.664 2.147 1.00 0.00 N ATOM 1332 CA ASP A 83 -16.278 -4.660 2.988 1.00 0.00 C ATOM 1333 C ASP A 83 -17.768 -4.550 2.696 1.00 0.00 C ATOM 1334 O ASP A 83 -18.250 -5.025 1.662 1.00 0.00 O ATOM 1335 CB ASP A 83 -15.570 -3.283 2.800 1.00 0.00 C ATOM 1336 CG ASP A 83 -16.312 -2.141 3.490 1.00 0.00 C ATOM 1337 OD1 ASP A 83 -16.396 -2.130 4.738 1.00 0.00 O ATOM 1338 OD2 ASP A 83 -16.930 -1.328 2.797 1.00 0.00 O ATOM 0 H ASP A 83 -15.121 -5.300 1.397 1.00 0.00 H new ATOM 0 HA ASP A 83 -16.133 -4.951 4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -14.556 -3.343 3.195 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -15.485 -3.065 1.735 1.00 0.00 H new ATOM 1343 N LYS A 84 -18.457 -3.909 3.589 1.00 0.00 N ATOM 1344 CA LYS A 84 -19.874 -3.648 3.530 1.00 0.00 C ATOM 1345 C LYS A 84 -20.254 -2.947 2.211 1.00 0.00 C ATOM 1346 O LYS A 84 -21.359 -3.128 1.699 1.00 0.00 O ATOM 1347 CB LYS A 84 -20.188 -2.721 4.690 1.00 0.00 C ATOM 1348 CG LYS A 84 -19.754 -3.277 6.043 1.00 0.00 C ATOM 1349 CD LYS A 84 -19.758 -2.214 7.129 1.00 0.00 C ATOM 1350 CE LYS A 84 -18.491 -1.314 7.136 1.00 0.00 C ATOM 1351 NZ LYS A 84 -18.242 -0.575 5.877 1.00 0.00 N ATOM 0 H LYS A 84 -18.025 -3.529 4.431 1.00 0.00 H new ATOM 0 HA LYS A 84 -20.433 -4.582 3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -19.695 -1.763 4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -21.261 -2.528 4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -20.421 -4.090 6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -18.754 -3.701 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -20.638 -1.584 7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -19.851 -2.701 8.100 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -18.579 -0.595 7.951 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.623 -1.936 7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.610 0.229 6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.797 -1.210 5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.144 -0.225 5.496 1.00 0.00 H new ATOM 1365 N TYR A 85 -19.323 -2.165 1.658 1.00 0.00 N ATOM 1366 CA TYR A 85 -19.550 -1.452 0.411 1.00 0.00 C ATOM 1367 C TYR A 85 -19.036 -2.237 -0.813 1.00 0.00 C ATOM 1368 O TYR A 85 -18.846 -1.671 -1.898 1.00 0.00 O ATOM 1369 CB TYR A 85 -18.921 -0.057 0.470 1.00 0.00 C ATOM 1370 CG TYR A 85 -19.509 0.836 1.543 1.00 0.00 C ATOM 1371 CD1 TYR A 85 -20.859 1.157 1.536 1.00 0.00 C ATOM 1372 CD2 TYR A 85 -18.716 1.362 2.553 1.00 0.00 C ATOM 1373 CE1 TYR A 85 -21.404 1.972 2.505 1.00 0.00 C ATOM 1374 CE2 TYR A 85 -19.253 2.180 3.524 1.00 0.00 C ATOM 1375 CZ TYR A 85 -20.597 2.479 3.497 1.00 0.00 C ATOM 1376 OH TYR A 85 -21.137 3.288 4.471 1.00 0.00 O ATOM 0 H TYR A 85 -18.399 -2.013 2.063 1.00 0.00 H new ATOM 0 HA TYR A 85 -20.628 -1.346 0.288 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -17.850 -0.159 0.643 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -19.043 0.427 -0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -21.494 0.761 0.757 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.662 1.127 2.579 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -22.457 2.211 2.486 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -18.623 2.584 4.302 1.00 0.00 H new ATOM 0 HH TYR A 85 -20.434 3.561 5.097 1.00 0.00 H new ATOM 1386 N GLY A 86 -18.788 -3.523 -0.632 1.00 0.00 N ATOM 1387 CA GLY A 86 -18.437 -4.403 -1.744 1.00 0.00 C ATOM 1388 C GLY A 86 -16.995 -4.306 -2.190 1.00 0.00 C ATOM 1389 O GLY A 86 -16.634 -4.798 -3.260 1.00 0.00 O ATOM 0 H GLY A 86 -18.822 -3.986 0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -18.646 -5.433 -1.456 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -19.082 -4.172 -2.591 1.00 0.00 H new ATOM 1393 N ARG A 87 -16.179 -3.669 -1.407 1.00 0.00 N ATOM 1394 CA ARG A 87 -14.774 -3.568 -1.711 1.00 0.00 C ATOM 1395 C ARG A 87 -14.032 -4.734 -1.091 1.00 0.00 C ATOM 1396 O ARG A 87 -14.178 -4.995 0.086 1.00 0.00 O ATOM 1397 CB ARG A 87 -14.208 -2.223 -1.250 1.00 0.00 C ATOM 1398 CG ARG A 87 -13.957 -1.228 -2.386 1.00 0.00 C ATOM 1399 CD ARG A 87 -15.190 -0.944 -3.266 1.00 0.00 C ATOM 1400 NE ARG A 87 -16.263 -0.201 -2.592 1.00 0.00 N ATOM 1401 CZ ARG A 87 -16.350 1.145 -2.563 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -15.342 1.901 -3.023 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -17.445 1.729 -2.101 1.00 0.00 N ATOM 0 H ARG A 87 -16.460 -3.205 -0.543 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.639 -3.614 -2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -14.899 -1.776 -0.536 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.271 -2.397 -0.721 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.606 -0.288 -1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -13.155 -1.611 -3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.872 -0.381 -4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -15.591 -1.892 -3.623 1.00 0.00 H new ATOM 0 HE ARG A 87 -16.988 -0.737 -2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -14.503 1.459 -3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -15.415 2.918 -2.998 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -18.224 1.161 -1.767 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.510 2.747 -2.079 1.00 0.00 H new ATOM 1417 N GLY A 88 -13.277 -5.445 -1.901 1.00 0.00 N ATOM 1418 CA GLY A 88 -12.561 -6.623 -1.435 1.00 0.00 C ATOM 1419 C GLY A 88 -11.532 -6.300 -0.377 1.00 0.00 C ATOM 1420 O GLY A 88 -10.766 -5.341 -0.524 1.00 0.00 O ATOM 0 H GLY A 88 -13.140 -5.231 -2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -13.275 -7.342 -1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.068 -7.102 -2.281 1.00 0.00 H new ATOM 1424 N LEU A 89 -11.511 -7.086 0.677 1.00 0.00 N ATOM 1425 CA LEU A 89 -10.587 -6.889 1.757 1.00 0.00 C ATOM 1426 C LEU A 89 -9.494 -7.912 1.627 1.00 0.00 C ATOM 1427 O LEU A 89 -9.613 -9.039 2.124 1.00 0.00 O ATOM 1428 CB LEU A 89 -11.280 -7.040 3.124 1.00 0.00 C ATOM 1429 CG LEU A 89 -12.404 -6.050 3.454 1.00 0.00 C ATOM 1430 CD1 LEU A 89 -13.056 -6.416 4.769 1.00 0.00 C ATOM 1431 CD2 LEU A 89 -11.870 -4.639 3.533 1.00 0.00 C ATOM 0 H LEU A 89 -12.139 -7.880 0.803 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.183 -5.878 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.689 -8.048 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.519 -6.957 3.900 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.144 -6.103 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.852 -5.705 4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.475 -7.420 4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.312 -6.387 5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.685 -3.954 3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.110 -4.581 4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.429 -4.363 2.575 1.00 0.00 H new ATOM 1443 N ALA A 90 -8.464 -7.556 0.923 1.00 0.00 N ATOM 1444 CA ALA A 90 -7.388 -8.460 0.676 1.00 0.00 C ATOM 1445 C ALA A 90 -6.081 -7.724 0.605 1.00 0.00 C ATOM 1446 O ALA A 90 -6.042 -6.528 0.293 1.00 0.00 O ATOM 1447 CB ALA A 90 -7.626 -9.218 -0.624 1.00 0.00 C ATOM 0 H ALA A 90 -8.347 -6.633 0.505 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.343 -9.170 1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.798 -9.905 -0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.556 -9.782 -0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.694 -8.511 -1.450 1.00 0.00 H new ATOM 1453 N TYR A 91 -5.035 -8.421 0.921 1.00 0.00 N ATOM 1454 CA TYR A 91 -3.699 -7.925 0.806 1.00 0.00 C ATOM 1455 C TYR A 91 -3.296 -8.211 -0.615 1.00 0.00 C ATOM 1456 O TYR A 91 -3.495 -9.321 -1.097 1.00 0.00 O ATOM 1457 CB TYR A 91 -2.749 -8.675 1.756 1.00 0.00 C ATOM 1458 CG TYR A 91 -3.130 -8.670 3.227 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -4.180 -9.448 3.689 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -2.421 -7.926 4.154 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -4.519 -9.482 5.017 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -2.766 -7.953 5.495 1.00 0.00 C ATOM 1463 CZ TYR A 91 -3.816 -8.737 5.916 1.00 0.00 C ATOM 1464 OH TYR A 91 -4.141 -8.806 7.260 1.00 0.00 O ATOM 0 H TYR A 91 -5.088 -9.376 1.275 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.648 -6.866 1.061 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.679 -9.711 1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.754 -8.241 1.658 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.745 -10.042 2.986 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.590 -7.318 3.828 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -5.341 -10.098 5.350 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.213 -7.360 6.208 1.00 0.00 H new ATOM 0 HH TYR A 91 -4.963 -9.327 7.371 1.00 0.00 H new ATOM 1474 N ILE A 92 -2.773 -7.258 -1.288 1.00 0.00 N ATOM 1475 CA ILE A 92 -2.472 -7.442 -2.670 1.00 0.00 C ATOM 1476 C ILE A 92 -0.983 -7.560 -2.877 1.00 0.00 C ATOM 1477 O ILE A 92 -0.191 -6.811 -2.292 1.00 0.00 O ATOM 1478 CB ILE A 92 -3.120 -6.331 -3.534 1.00 0.00 C ATOM 1479 CG1 ILE A 92 -4.642 -6.404 -3.331 1.00 0.00 C ATOM 1480 CG2 ILE A 92 -2.766 -6.507 -5.019 1.00 0.00 C ATOM 1481 CD1 ILE A 92 -5.432 -5.337 -4.032 1.00 0.00 C ATOM 0 H ILE A 92 -2.541 -6.339 -0.912 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.910 -8.382 -3.005 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.741 -5.356 -3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.992 -7.378 -3.674 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.853 -6.348 -2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.234 -5.713 -5.601 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.684 -6.458 -5.143 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.128 -7.474 -5.367 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.493 -5.476 -3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.118 -4.357 -3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.259 -5.403 -5.106 1.00 0.00 H new ATOM 1493 N TYR A 93 -0.605 -8.542 -3.641 1.00 0.00 N ATOM 1494 CA TYR A 93 0.767 -8.828 -3.907 1.00 0.00 C ATOM 1495 C TYR A 93 1.064 -8.671 -5.372 1.00 0.00 C ATOM 1496 O TYR A 93 0.436 -9.306 -6.219 1.00 0.00 O ATOM 1497 CB TYR A 93 1.139 -10.244 -3.423 1.00 0.00 C ATOM 1498 CG TYR A 93 1.019 -10.421 -1.924 1.00 0.00 C ATOM 1499 CD1 TYR A 93 -0.220 -10.557 -1.322 1.00 0.00 C ATOM 1500 CD2 TYR A 93 2.141 -10.419 -1.109 1.00 0.00 C ATOM 1501 CE1 TYR A 93 -0.341 -10.689 0.035 1.00 0.00 C ATOM 1502 CE2 TYR A 93 2.023 -10.549 0.262 1.00 0.00 C ATOM 1503 CZ TYR A 93 0.773 -10.686 0.826 1.00 0.00 C ATOM 1504 OH TYR A 93 0.641 -10.798 2.193 1.00 0.00 O ATOM 0 H TYR A 93 -1.256 -9.176 -4.104 1.00 0.00 H new ATOM 0 HA TYR A 93 1.376 -8.113 -3.354 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.495 -10.970 -3.919 1.00 0.00 H new ATOM 0 HB3 TYR A 93 2.162 -10.466 -3.726 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.109 -10.559 -1.935 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.121 -10.314 -1.552 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.319 -10.796 0.481 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.904 -10.543 0.887 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.310 -10.821 2.429 1.00 0.00 H new ATOM 1514 N ALA A 94 2.007 -7.831 -5.659 1.00 0.00 N ATOM 1515 CA ALA A 94 2.444 -7.583 -6.986 1.00 0.00 C ATOM 1516 C ALA A 94 3.753 -8.285 -7.169 1.00 0.00 C ATOM 1517 O ALA A 94 4.743 -7.924 -6.546 1.00 0.00 O ATOM 1518 CB ALA A 94 2.622 -6.093 -7.211 1.00 0.00 C ATOM 0 H ALA A 94 2.504 -7.287 -4.954 1.00 0.00 H new ATOM 0 HA ALA A 94 1.707 -7.947 -7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.958 -5.917 -8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.672 -5.584 -7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.365 -5.706 -6.514 1.00 0.00 H new ATOM 1524 N ASP A 95 3.719 -9.358 -7.938 1.00 0.00 N ATOM 1525 CA ASP A 95 4.901 -10.172 -8.295 1.00 0.00 C ATOM 1526 C ASP A 95 5.378 -10.931 -7.058 1.00 0.00 C ATOM 1527 O ASP A 95 6.485 -11.456 -7.000 1.00 0.00 O ATOM 1528 CB ASP A 95 6.029 -9.282 -8.860 1.00 0.00 C ATOM 1529 CG ASP A 95 6.919 -9.990 -9.842 1.00 0.00 C ATOM 1530 OD1 ASP A 95 7.921 -10.634 -9.449 1.00 0.00 O ATOM 1531 OD2 ASP A 95 6.637 -9.896 -11.044 1.00 0.00 O ATOM 0 H ASP A 95 2.854 -9.709 -8.350 1.00 0.00 H new ATOM 0 HA ASP A 95 4.625 -10.886 -9.071 1.00 0.00 H new ATOM 0 HB2 ASP A 95 5.586 -8.413 -9.345 1.00 0.00 H new ATOM 0 HB3 ASP A 95 6.636 -8.911 -8.034 1.00 0.00 H new ATOM 1536 N GLY A 96 4.491 -11.027 -6.090 1.00 0.00 N ATOM 1537 CA GLY A 96 4.803 -11.663 -4.835 1.00 0.00 C ATOM 1538 C GLY A 96 5.223 -10.657 -3.775 1.00 0.00 C ATOM 1539 O GLY A 96 5.399 -11.020 -2.613 1.00 0.00 O ATOM 0 H GLY A 96 3.539 -10.667 -6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.933 -12.218 -4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.604 -12.387 -4.985 1.00 0.00 H new ATOM 1543 N LYS A 97 5.376 -9.400 -4.169 1.00 0.00 N ATOM 1544 CA LYS A 97 5.719 -8.339 -3.239 1.00 0.00 C ATOM 1545 C LYS A 97 4.439 -7.776 -2.686 1.00 0.00 C ATOM 1546 O LYS A 97 3.471 -7.643 -3.413 1.00 0.00 O ATOM 1547 CB LYS A 97 6.477 -7.213 -3.936 1.00 0.00 C ATOM 1548 CG LYS A 97 7.790 -7.630 -4.541 1.00 0.00 C ATOM 1549 CD LYS A 97 8.429 -6.477 -5.294 1.00 0.00 C ATOM 1550 CE LYS A 97 9.712 -6.895 -5.989 1.00 0.00 C ATOM 1551 NZ LYS A 97 10.376 -5.745 -6.639 1.00 0.00 N ATOM 0 H LYS A 97 5.266 -9.091 -5.135 1.00 0.00 H new ATOM 0 HA LYS A 97 6.354 -8.750 -2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.845 -6.797 -4.721 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.659 -6.414 -3.217 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.463 -7.975 -3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 97 7.633 -8.470 -5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.726 -6.092 -6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.641 -5.663 -4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.390 -7.345 -5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.491 -7.658 -6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.249 -6.066 -7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.738 -5.331 -7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.609 -5.028 -5.922 1.00 0.00 H new ATOM 1565 N MET A 98 4.411 -7.446 -1.438 1.00 0.00 N ATOM 1566 CA MET A 98 3.202 -6.920 -0.862 1.00 0.00 C ATOM 1567 C MET A 98 3.050 -5.456 -1.249 1.00 0.00 C ATOM 1568 O MET A 98 3.845 -4.613 -0.827 1.00 0.00 O ATOM 1569 CB MET A 98 3.191 -7.071 0.664 1.00 0.00 C ATOM 1570 CG MET A 98 1.852 -6.704 1.295 1.00 0.00 C ATOM 1571 SD MET A 98 1.882 -6.678 3.101 1.00 0.00 S ATOM 1572 CE MET A 98 2.381 -8.362 3.475 1.00 0.00 C ATOM 0 H MET A 98 5.199 -7.527 -0.796 1.00 0.00 H new ATOM 0 HA MET A 98 2.360 -7.492 -1.253 1.00 0.00 H new ATOM 0 HB2 MET A 98 3.437 -8.101 0.922 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.971 -6.441 1.091 1.00 0.00 H new ATOM 0 HG2 MET A 98 1.546 -5.723 0.932 1.00 0.00 H new ATOM 0 HG3 MET A 98 1.097 -7.417 0.963 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.711 -8.782 4.225 1.00 0.00 H new ATOM 0 HE2 MET A 98 2.334 -8.965 2.568 1.00 0.00 H new ATOM 0 HE3 MET A 98 3.401 -8.362 3.859 1.00 0.00 H new ATOM 1582 N VAL A 99 2.032 -5.170 -2.050 1.00 0.00 N ATOM 1583 CA VAL A 99 1.732 -3.810 -2.514 1.00 0.00 C ATOM 1584 C VAL A 99 1.496 -2.929 -1.316 1.00 0.00 C ATOM 1585 O VAL A 99 2.038 -1.834 -1.211 1.00 0.00 O ATOM 1586 CB VAL A 99 0.453 -3.793 -3.404 1.00 0.00 C ATOM 1587 CG1 VAL A 99 0.076 -2.383 -3.825 1.00 0.00 C ATOM 1588 CG2 VAL A 99 0.637 -4.666 -4.623 1.00 0.00 C ATOM 0 H VAL A 99 1.384 -5.875 -2.401 1.00 0.00 H new ATOM 0 HA VAL A 99 2.575 -3.450 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.363 -4.192 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.821 -2.416 -4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.116 -1.778 -2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.894 -1.942 -4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.268 -4.639 -5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.479 -4.298 -5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.834 -5.691 -4.310 1.00 0.00 H new ATOM 1598 N ASN A 100 0.721 -3.468 -0.388 1.00 0.00 N ATOM 1599 CA ASN A 100 0.368 -2.793 0.851 1.00 0.00 C ATOM 1600 C ASN A 100 1.633 -2.359 1.585 1.00 0.00 C ATOM 1601 O ASN A 100 1.726 -1.225 2.043 1.00 0.00 O ATOM 1602 CB ASN A 100 -0.461 -3.729 1.757 1.00 0.00 C ATOM 1603 CG ASN A 100 -1.691 -4.305 1.069 1.00 0.00 C ATOM 1604 OD1 ASN A 100 -1.614 -5.345 0.423 1.00 0.00 O ATOM 1605 ND2 ASN A 100 -2.824 -3.659 1.198 1.00 0.00 N ATOM 0 H ASN A 100 0.314 -4.399 -0.475 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.230 -1.914 0.609 1.00 0.00 H new ATOM 0 HB2 ASN A 100 0.173 -4.548 2.097 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -0.775 -3.179 2.644 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -3.670 -4.019 0.756 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -2.860 -2.796 1.741 1.00 0.00 H new ATOM 1612 N GLU A 101 2.626 -3.257 1.640 1.00 0.00 N ATOM 1613 CA GLU A 101 3.872 -2.973 2.320 1.00 0.00 C ATOM 1614 C GLU A 101 4.615 -1.880 1.594 1.00 0.00 C ATOM 1615 O GLU A 101 4.997 -0.890 2.199 1.00 0.00 O ATOM 1616 CB GLU A 101 4.776 -4.202 2.406 1.00 0.00 C ATOM 1617 CG GLU A 101 6.030 -3.916 3.213 1.00 0.00 C ATOM 1618 CD GLU A 101 7.063 -5.018 3.195 1.00 0.00 C ATOM 1619 OE1 GLU A 101 7.118 -5.795 2.222 1.00 0.00 O ATOM 1620 OE2 GLU A 101 7.886 -5.083 4.132 1.00 0.00 O ATOM 0 H GLU A 101 2.579 -4.184 1.217 1.00 0.00 H new ATOM 0 HA GLU A 101 3.619 -2.661 3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.228 -5.026 2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.054 -4.522 1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.488 -3.002 2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.743 -3.724 4.247 1.00 0.00 H new ATOM 1627 N ALA A 102 4.776 -2.059 0.290 1.00 0.00 N ATOM 1628 CA ALA A 102 5.526 -1.140 -0.549 1.00 0.00 C ATOM 1629 C ALA A 102 4.983 0.280 -0.455 1.00 0.00 C ATOM 1630 O ALA A 102 5.756 1.239 -0.352 1.00 0.00 O ATOM 1631 CB ALA A 102 5.532 -1.625 -1.987 1.00 0.00 C ATOM 0 H ALA A 102 4.386 -2.853 -0.217 1.00 0.00 H new ATOM 0 HA ALA A 102 6.553 -1.117 -0.184 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.097 -0.927 -2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.995 -2.610 -2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.508 -1.687 -2.354 1.00 0.00 H new ATOM 1637 N LEU A 103 3.661 0.407 -0.454 1.00 0.00 N ATOM 1638 CA LEU A 103 3.008 1.706 -0.338 1.00 0.00 C ATOM 1639 C LEU A 103 3.347 2.360 0.990 1.00 0.00 C ATOM 1640 O LEU A 103 3.654 3.554 1.052 1.00 0.00 O ATOM 1641 CB LEU A 103 1.485 1.578 -0.455 1.00 0.00 C ATOM 1642 CG LEU A 103 0.941 0.936 -1.722 1.00 0.00 C ATOM 1643 CD1 LEU A 103 -0.577 0.971 -1.736 1.00 0.00 C ATOM 1644 CD2 LEU A 103 1.519 1.594 -2.955 1.00 0.00 C ATOM 0 H LEU A 103 3.016 -0.380 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 103 3.375 2.325 -1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.127 1.001 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.054 2.575 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 103 1.250 -0.109 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.943 0.506 -2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.961 0.426 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.918 2.006 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.113 1.116 -3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.257 2.652 -2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.604 1.489 -2.949 1.00 0.00 H new ATOM 1656 N VAL A 104 3.300 1.578 2.044 1.00 0.00 N ATOM 1657 CA VAL A 104 3.576 2.080 3.365 1.00 0.00 C ATOM 1658 C VAL A 104 5.079 2.396 3.532 1.00 0.00 C ATOM 1659 O VAL A 104 5.432 3.446 4.043 1.00 0.00 O ATOM 1660 CB VAL A 104 3.048 1.121 4.474 1.00 0.00 C ATOM 1661 CG1 VAL A 104 3.348 1.675 5.838 1.00 0.00 C ATOM 1662 CG2 VAL A 104 1.550 0.939 4.337 1.00 0.00 C ATOM 0 H VAL A 104 3.071 0.585 2.008 1.00 0.00 H new ATOM 0 HA VAL A 104 3.031 3.016 3.485 1.00 0.00 H new ATOM 0 HB VAL A 104 3.549 0.160 4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.972 0.992 6.599 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.426 1.791 5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.865 2.645 5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.192 0.267 5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.056 1.905 4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.323 0.513 3.359 1.00 0.00 H new ATOM 1672 N ARG A 105 5.942 1.501 3.029 1.00 0.00 N ATOM 1673 CA ARG A 105 7.420 1.674 3.050 1.00 0.00 C ATOM 1674 C ARG A 105 7.821 2.981 2.399 1.00 0.00 C ATOM 1675 O ARG A 105 8.624 3.742 2.928 1.00 0.00 O ATOM 1676 CB ARG A 105 8.104 0.569 2.232 1.00 0.00 C ATOM 1677 CG ARG A 105 8.078 -0.831 2.794 1.00 0.00 C ATOM 1678 CD ARG A 105 8.996 -0.994 3.986 1.00 0.00 C ATOM 1679 NE ARG A 105 9.212 -2.412 4.265 1.00 0.00 N ATOM 1680 CZ ARG A 105 10.397 -2.979 4.475 1.00 0.00 C ATOM 1681 NH1 ARG A 105 11.473 -2.227 4.748 1.00 0.00 N ATOM 1682 NH2 ARG A 105 10.486 -4.299 4.469 1.00 0.00 N ATOM 0 H ARG A 105 5.643 0.629 2.592 1.00 0.00 H new ATOM 0 HA ARG A 105 7.723 1.645 4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 105 7.640 0.544 1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.146 0.854 2.087 1.00 0.00 H new ATOM 0 HG2 ARG A 105 7.059 -1.082 3.087 1.00 0.00 H new ATOM 0 HG3 ARG A 105 8.369 -1.537 2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 105 9.950 -0.505 3.789 1.00 0.00 H new ATOM 0 HD3 ARG A 105 8.562 -0.506 4.859 1.00 0.00 H new ATOM 0 HE ARG A 105 8.390 -3.014 4.302 1.00 0.00 H new ATOM 0 HH11 ARG A 105 11.387 -1.212 4.796 1.00 0.00 H new ATOM 0 HH12 ARG A 105 12.378 -2.670 4.908 1.00 0.00 H new ATOM 0 HH21 ARG A 105 9.654 -4.866 4.305 1.00 0.00 H new ATOM 0 HH22 ARG A 105 11.387 -4.750 4.628 1.00 0.00 H new ATOM 1696 N GLN A 106 7.237 3.225 1.241 1.00 0.00 N ATOM 1697 CA GLN A 106 7.576 4.357 0.415 1.00 0.00 C ATOM 1698 C GLN A 106 6.914 5.635 0.942 1.00 0.00 C ATOM 1699 O GLN A 106 7.159 6.748 0.437 1.00 0.00 O ATOM 1700 CB GLN A 106 7.111 4.072 -1.009 1.00 0.00 C ATOM 1701 CG GLN A 106 7.720 4.965 -2.057 1.00 0.00 C ATOM 1702 CD GLN A 106 9.203 4.735 -2.192 1.00 0.00 C ATOM 1703 OE1 GLN A 106 9.987 5.489 -1.470 1.00 0.00 O flip ATOM 1704 NE2 GLN A 106 9.638 3.880 -2.967 1.00 0.00 N flip ATOM 0 H GLN A 106 6.506 2.633 0.847 1.00 0.00 H new ATOM 0 HA GLN A 106 8.655 4.510 0.434 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.345 3.036 -1.253 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.026 4.173 -1.050 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.235 4.784 -3.016 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.536 6.008 -1.798 1.00 0.00 H new ATOM 0 HE21 GLN A 106 8.992 3.311 -3.514 1.00 0.00 H new ATOM 0 HE22 GLN A 106 10.644 3.742 -3.061 1.00 0.00 H new ATOM 1713 N GLY A 107 6.089 5.469 1.946 1.00 0.00 N ATOM 1714 CA GLY A 107 5.389 6.566 2.543 1.00 0.00 C ATOM 1715 C GLY A 107 4.378 7.143 1.609 1.00 0.00 C ATOM 1716 O GLY A 107 4.397 8.334 1.330 1.00 0.00 O ATOM 0 H GLY A 107 5.887 4.563 2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.894 6.230 3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.101 7.339 2.833 1.00 0.00 H new ATOM 1720 N LEU A 108 3.546 6.291 1.081 1.00 0.00 N ATOM 1721 CA LEU A 108 2.471 6.692 0.199 1.00 0.00 C ATOM 1722 C LEU A 108 1.130 6.234 0.762 1.00 0.00 C ATOM 1723 O LEU A 108 0.072 6.636 0.289 1.00 0.00 O ATOM 1724 CB LEU A 108 2.715 6.127 -1.205 1.00 0.00 C ATOM 1725 CG LEU A 108 3.893 6.746 -1.966 1.00 0.00 C ATOM 1726 CD1 LEU A 108 4.394 5.793 -2.979 1.00 0.00 C ATOM 1727 CD2 LEU A 108 3.456 7.991 -2.692 1.00 0.00 C ATOM 0 H LEU A 108 3.590 5.286 1.249 1.00 0.00 H new ATOM 0 HA LEU A 108 2.445 7.779 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.882 5.053 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.810 6.265 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 108 4.671 6.986 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.231 6.239 -3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.725 4.879 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.596 5.557 -3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.305 8.417 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.668 7.740 -3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.078 8.718 -1.973 1.00 0.00 H new ATOM 1739 N ALA A 109 1.191 5.416 1.794 1.00 0.00 N ATOM 1740 CA ALA A 109 0.012 4.925 2.465 1.00 0.00 C ATOM 1741 C ALA A 109 0.207 5.051 3.953 1.00 0.00 C ATOM 1742 O ALA A 109 1.337 4.956 4.442 1.00 0.00 O ATOM 1743 CB ALA A 109 -0.251 3.474 2.099 1.00 0.00 C ATOM 0 H ALA A 109 2.066 5.074 2.190 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.849 5.516 2.151 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.145 3.124 2.616 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.399 3.391 1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.602 2.864 2.396 1.00 0.00 H new ATOM 1749 N LYS A 110 -0.864 5.309 4.655 1.00 0.00 N ATOM 1750 CA LYS A 110 -0.840 5.412 6.092 1.00 0.00 C ATOM 1751 C LYS A 110 -1.513 4.182 6.631 1.00 0.00 C ATOM 1752 O LYS A 110 -2.316 3.575 5.934 1.00 0.00 O ATOM 1753 CB LYS A 110 -1.666 6.620 6.549 1.00 0.00 C ATOM 1754 CG LYS A 110 -1.315 7.930 5.876 1.00 0.00 C ATOM 1755 CD LYS A 110 -2.241 9.037 6.332 1.00 0.00 C ATOM 1756 CE LYS A 110 -1.951 10.342 5.611 1.00 0.00 C ATOM 1757 NZ LYS A 110 -2.881 11.408 6.028 1.00 0.00 N ATOM 0 H LYS A 110 -1.786 5.455 4.243 1.00 0.00 H new ATOM 0 HA LYS A 110 0.187 5.517 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.720 6.408 6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.543 6.738 7.626 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.283 8.196 6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.382 7.817 4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.275 8.744 6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.133 9.183 7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.926 10.652 5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.030 10.190 4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.655 12.285 5.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.857 11.122 5.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.787 11.570 7.051 1.00 0.00 H new ATOM 1771 N VAL A 111 -1.200 3.806 7.824 1.00 0.00 N ATOM 1772 CA VAL A 111 -1.900 2.739 8.469 1.00 0.00 C ATOM 1773 C VAL A 111 -3.117 3.346 9.133 1.00 0.00 C ATOM 1774 O VAL A 111 -3.031 4.416 9.763 1.00 0.00 O ATOM 1775 CB VAL A 111 -1.008 1.999 9.504 1.00 0.00 C ATOM 1776 CG1 VAL A 111 -1.799 0.937 10.264 1.00 0.00 C ATOM 1777 CG2 VAL A 111 0.164 1.347 8.791 1.00 0.00 C ATOM 0 H VAL A 111 -0.455 4.225 8.381 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.191 1.987 7.736 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.646 2.732 10.225 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.145 0.439 10.980 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.625 1.410 10.795 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.193 0.203 9.560 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.789 0.828 9.518 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.209 0.632 8.057 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.754 2.112 8.286 1.00 0.00 H new ATOM 1787 N ALA A 112 -4.230 2.707 8.993 1.00 0.00 N ATOM 1788 CA ALA A 112 -5.466 3.223 9.496 1.00 0.00 C ATOM 1789 C ALA A 112 -5.917 2.387 10.660 1.00 0.00 C ATOM 1790 O ALA A 112 -5.175 1.509 11.125 1.00 0.00 O ATOM 1791 CB ALA A 112 -6.514 3.209 8.393 1.00 0.00 C ATOM 0 H ALA A 112 -4.312 1.805 8.523 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.327 4.251 9.831 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.454 3.603 8.779 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.176 3.828 7.562 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.664 2.186 8.046 1.00 0.00 H new ATOM 1797 N TYR A 113 -7.089 2.670 11.168 1.00 0.00 N ATOM 1798 CA TYR A 113 -7.642 1.874 12.221 1.00 0.00 C ATOM 1799 C TYR A 113 -8.066 0.554 11.640 1.00 0.00 C ATOM 1800 O TYR A 113 -9.068 0.470 10.916 1.00 0.00 O ATOM 1801 CB TYR A 113 -8.796 2.583 12.912 1.00 0.00 C ATOM 1802 CG TYR A 113 -8.381 3.834 13.646 1.00 0.00 C ATOM 1803 CD1 TYR A 113 -7.789 3.755 14.897 1.00 0.00 C ATOM 1804 CD2 TYR A 113 -8.585 5.092 13.096 1.00 0.00 C ATOM 1805 CE1 TYR A 113 -7.413 4.892 15.580 1.00 0.00 C ATOM 1806 CE2 TYR A 113 -8.209 6.235 13.773 1.00 0.00 C ATOM 1807 CZ TYR A 113 -7.623 6.126 15.015 1.00 0.00 C ATOM 1808 OH TYR A 113 -7.251 7.258 15.702 1.00 0.00 O ATOM 0 H TYR A 113 -7.676 3.448 10.866 1.00 0.00 H new ATOM 0 HA TYR A 113 -6.888 1.708 12.990 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -9.551 2.841 12.169 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -9.264 1.896 13.617 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -7.620 2.787 15.344 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.045 5.178 12.123 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -6.955 4.813 16.555 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -8.373 7.207 13.332 1.00 0.00 H new ATOM 0 HH TYR A 113 -7.465 8.051 15.167 1.00 0.00 H new ATOM 1818 N VAL A 114 -7.270 -0.443 11.937 1.00 0.00 N ATOM 1819 CA VAL A 114 -7.392 -1.776 11.394 1.00 0.00 C ATOM 1820 C VAL A 114 -8.771 -2.370 11.648 1.00 0.00 C ATOM 1821 O VAL A 114 -9.253 -2.440 12.798 1.00 0.00 O ATOM 1822 CB VAL A 114 -6.289 -2.699 11.970 1.00 0.00 C ATOM 1823 CG1 VAL A 114 -6.407 -4.098 11.418 1.00 0.00 C ATOM 1824 CG2 VAL A 114 -4.904 -2.131 11.680 1.00 0.00 C ATOM 0 H VAL A 114 -6.490 -0.346 12.587 1.00 0.00 H new ATOM 0 HA VAL A 114 -7.263 -1.702 10.314 1.00 0.00 H new ATOM 0 HB VAL A 114 -6.427 -2.747 13.050 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -5.620 -4.723 11.840 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -7.380 -4.512 11.682 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -6.306 -4.071 10.333 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -4.145 -2.795 12.093 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -4.764 -2.046 10.602 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -4.812 -1.146 12.137 1.00 0.00 H new ATOM 1834 N TYR A 115 -9.400 -2.761 10.573 1.00 0.00 N ATOM 1835 CA TYR A 115 -10.717 -3.321 10.603 1.00 0.00 C ATOM 1836 C TYR A 115 -10.651 -4.814 10.920 1.00 0.00 C ATOM 1837 O TYR A 115 -10.594 -5.652 10.028 1.00 0.00 O ATOM 1838 CB TYR A 115 -11.413 -3.052 9.264 1.00 0.00 C ATOM 1839 CG TYR A 115 -12.860 -3.474 9.177 1.00 0.00 C ATOM 1840 CD1 TYR A 115 -13.823 -2.862 9.956 1.00 0.00 C ATOM 1841 CD2 TYR A 115 -13.265 -4.457 8.282 1.00 0.00 C ATOM 1842 CE1 TYR A 115 -15.146 -3.210 9.852 1.00 0.00 C ATOM 1843 CE2 TYR A 115 -14.590 -4.820 8.177 1.00 0.00 C ATOM 1844 CZ TYR A 115 -15.528 -4.190 8.964 1.00 0.00 C ATOM 1845 OH TYR A 115 -16.862 -4.529 8.850 1.00 0.00 O ATOM 0 H TYR A 115 -9.001 -2.697 9.636 1.00 0.00 H new ATOM 0 HA TYR A 115 -11.302 -2.849 11.392 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -11.353 -1.984 9.053 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -10.857 -3.564 8.478 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -13.529 -2.096 10.659 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -12.530 -4.944 7.659 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -15.886 -2.716 10.465 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -14.890 -5.592 7.484 1.00 0.00 H new ATOM 0 HH TYR A 115 -16.951 -5.505 8.831 1.00 0.00 H new ATOM 1855 N LYS A 116 -10.592 -5.112 12.196 1.00 0.00 N ATOM 1856 CA LYS A 116 -10.540 -6.469 12.681 1.00 0.00 C ATOM 1857 C LYS A 116 -11.859 -7.215 12.431 1.00 0.00 C ATOM 1858 O LYS A 116 -12.919 -6.571 12.255 1.00 0.00 O ATOM 1859 CB LYS A 116 -10.126 -6.495 14.153 1.00 0.00 C ATOM 1860 CG LYS A 116 -8.650 -6.208 14.328 1.00 0.00 C ATOM 1861 CD LYS A 116 -8.192 -6.318 15.777 1.00 0.00 C ATOM 1862 CE LYS A 116 -8.785 -5.240 16.657 1.00 0.00 C ATOM 1863 NZ LYS A 116 -8.359 -5.389 18.064 1.00 0.00 N ATOM 0 H LYS A 116 -10.579 -4.409 12.935 1.00 0.00 H new ATOM 0 HA LYS A 116 -9.778 -7.004 12.115 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.708 -5.758 14.707 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -10.359 -7.471 14.579 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -8.075 -6.903 13.717 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -8.434 -5.205 13.959 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -8.470 -7.296 16.169 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -7.104 -6.257 15.816 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -8.483 -4.260 16.287 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -9.873 -5.281 16.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -8.785 -4.633 18.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -8.669 -6.314 18.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -7.323 -5.325 18.122 1.00 0.00 H new ATOM 1877 N PRO A 117 -11.848 -8.580 12.416 1.00 0.00 N ATOM 1878 CA PRO A 117 -10.654 -9.420 12.695 1.00 0.00 C ATOM 1879 C PRO A 117 -9.650 -9.520 11.534 1.00 0.00 C ATOM 1880 O PRO A 117 -8.708 -10.322 11.589 1.00 0.00 O ATOM 1881 CB PRO A 117 -11.257 -10.788 13.006 1.00 0.00 C ATOM 1882 CG PRO A 117 -12.522 -10.833 12.226 1.00 0.00 C ATOM 1883 CD PRO A 117 -13.030 -9.414 12.134 1.00 0.00 C ATOM 0 HA PRO A 117 -10.059 -8.989 13.500 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.583 -11.593 12.713 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -11.446 -10.903 14.073 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -12.349 -11.247 11.232 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -13.255 -11.475 12.715 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -13.439 -9.202 11.146 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -13.827 -9.230 12.855 1.00 0.00 H new ATOM 1891 N ASN A 118 -9.862 -8.740 10.495 1.00 0.00 N ATOM 1892 CA ASN A 118 -8.915 -8.665 9.378 1.00 0.00 C ATOM 1893 C ASN A 118 -7.640 -7.978 9.796 1.00 0.00 C ATOM 1894 O ASN A 118 -7.490 -6.774 9.662 1.00 0.00 O ATOM 1895 CB ASN A 118 -9.485 -7.969 8.123 1.00 0.00 C ATOM 1896 CG ASN A 118 -10.637 -8.697 7.471 1.00 0.00 C ATOM 1897 OD1 ASN A 118 -11.446 -9.335 8.129 1.00 0.00 O ATOM 1898 ND2 ASN A 118 -10.706 -8.627 6.166 1.00 0.00 N ATOM 0 H ASN A 118 -10.682 -8.143 10.391 1.00 0.00 H new ATOM 0 HA ASN A 118 -8.710 -9.700 9.104 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -9.814 -6.967 8.397 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -8.685 -7.853 7.392 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -11.451 -9.114 5.668 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -10.015 -8.086 5.647 1.00 0.00 H new ATOM 1905 N ASN A 119 -6.766 -8.744 10.373 1.00 0.00 N ATOM 1906 CA ASN A 119 -5.474 -8.276 10.769 1.00 0.00 C ATOM 1907 C ASN A 119 -4.511 -9.432 10.929 1.00 0.00 C ATOM 1908 O ASN A 119 -4.455 -10.111 11.952 1.00 0.00 O ATOM 1909 CB ASN A 119 -5.485 -7.369 12.032 1.00 0.00 C ATOM 1910 CG ASN A 119 -5.885 -8.043 13.352 1.00 0.00 C ATOM 1911 OD1 ASN A 119 -6.726 -8.941 13.399 1.00 0.00 O ATOM 1912 ND2 ASN A 119 -5.269 -7.621 14.425 1.00 0.00 N ATOM 0 H ASN A 119 -6.933 -9.728 10.585 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.128 -7.634 9.959 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -4.490 -6.941 12.154 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.168 -6.539 11.851 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -5.481 -8.038 15.332 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -4.577 -6.875 14.356 1.00 0.00 H new ATOM 1919 N THR A 120 -3.832 -9.728 9.885 1.00 0.00 N ATOM 1920 CA THR A 120 -2.808 -10.731 9.946 1.00 0.00 C ATOM 1921 C THR A 120 -1.453 -10.117 9.633 1.00 0.00 C ATOM 1922 O THR A 120 -0.437 -10.490 10.212 1.00 0.00 O ATOM 1923 CB THR A 120 -3.110 -11.892 8.988 1.00 0.00 C ATOM 1924 OG1 THR A 120 -4.448 -12.339 9.219 1.00 0.00 O ATOM 1925 CG2 THR A 120 -2.153 -13.060 9.213 1.00 0.00 C ATOM 0 H THR A 120 -3.958 -9.295 8.970 1.00 0.00 H new ATOM 0 HA THR A 120 -2.786 -11.134 10.959 1.00 0.00 H new ATOM 0 HB THR A 120 -2.987 -11.539 7.964 1.00 0.00 H new ATOM 0 HG1 THR A 120 -5.071 -11.791 8.697 1.00 0.00 H new ATOM 0 HG21 THR A 120 -2.393 -13.866 8.519 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.128 -12.729 9.044 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.253 -13.421 10.237 1.00 0.00 H new ATOM 1933 N HIS A 121 -1.429 -9.142 8.746 1.00 0.00 N ATOM 1934 CA HIS A 121 -0.167 -8.548 8.370 1.00 0.00 C ATOM 1935 C HIS A 121 -0.162 -7.062 8.702 1.00 0.00 C ATOM 1936 O HIS A 121 0.628 -6.305 8.169 1.00 0.00 O ATOM 1937 CB HIS A 121 0.186 -8.837 6.873 1.00 0.00 C ATOM 1938 CG HIS A 121 0.330 -10.318 6.550 1.00 0.00 C ATOM 1939 ND1 HIS A 121 -0.276 -10.950 5.472 1.00 0.00 N ATOM 1940 CD2 HIS A 121 1.014 -11.291 7.194 1.00 0.00 C ATOM 1941 CE1 HIS A 121 0.034 -12.226 5.493 1.00 0.00 C ATOM 1942 NE2 HIS A 121 0.804 -12.454 6.515 1.00 0.00 N ATOM 0 H HIS A 121 -2.250 -8.753 8.283 1.00 0.00 H new ATOM 0 HA HIS A 121 0.624 -9.014 8.957 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -0.590 -8.410 6.238 1.00 0.00 H new ATOM 0 HB3 HIS A 121 1.117 -8.328 6.624 1.00 0.00 H new ATOM 0 HD1 HIS A 121 -0.867 -10.496 4.776 1.00 0.00 H new ATOM 0 HD2 HIS A 121 1.616 -11.169 8.083 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -0.297 -12.965 4.778 1.00 0.00 H new ATOM 1951 N GLU A 122 -1.023 -6.669 9.658 1.00 0.00 N ATOM 1952 CA GLU A 122 -1.103 -5.285 10.125 1.00 0.00 C ATOM 1953 C GLU A 122 0.255 -4.809 10.703 1.00 0.00 C ATOM 1954 O GLU A 122 0.672 -3.684 10.478 1.00 0.00 O ATOM 1955 CB GLU A 122 -2.175 -5.146 11.220 1.00 0.00 C ATOM 1956 CG GLU A 122 -1.939 -6.038 12.434 1.00 0.00 C ATOM 1957 CD GLU A 122 -2.350 -5.385 13.720 1.00 0.00 C ATOM 1958 OE1 GLU A 122 -1.552 -4.595 14.272 1.00 0.00 O ATOM 1959 OE2 GLU A 122 -3.434 -5.672 14.239 1.00 0.00 O ATOM 0 H GLU A 122 -1.676 -7.301 10.122 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.366 -4.668 9.265 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.213 -4.107 11.547 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -3.150 -5.382 10.792 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -2.494 -6.968 12.310 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -0.883 -6.302 12.486 1.00 0.00 H new ATOM 1966 N GLN A 123 0.932 -5.712 11.428 1.00 0.00 N ATOM 1967 CA GLN A 123 2.216 -5.438 12.100 1.00 0.00 C ATOM 1968 C GLN A 123 3.289 -5.077 11.088 1.00 0.00 C ATOM 1969 O GLN A 123 4.122 -4.200 11.314 1.00 0.00 O ATOM 1970 CB GLN A 123 2.642 -6.679 12.908 1.00 0.00 C ATOM 1971 CG GLN A 123 2.704 -7.964 12.073 1.00 0.00 C ATOM 1972 CD GLN A 123 3.141 -9.167 12.858 1.00 0.00 C ATOM 1973 OE1 GLN A 123 2.313 -9.878 13.437 1.00 0.00 O ATOM 1974 NE2 GLN A 123 4.416 -9.422 12.871 1.00 0.00 N ATOM 0 H GLN A 123 0.601 -6.667 11.567 1.00 0.00 H new ATOM 0 HA GLN A 123 2.089 -4.590 12.773 1.00 0.00 H new ATOM 0 HB2 GLN A 123 3.621 -6.496 13.350 1.00 0.00 H new ATOM 0 HB3 GLN A 123 1.942 -6.824 13.731 1.00 0.00 H new ATOM 0 HG2 GLN A 123 1.721 -8.157 11.644 1.00 0.00 H new ATOM 0 HG3 GLN A 123 3.391 -7.814 11.240 1.00 0.00 H new ATOM 0 HE21 GLN A 123 5.064 -8.807 12.379 1.00 0.00 H new ATOM 0 HE22 GLN A 123 4.768 -10.237 13.373 1.00 0.00 H new ATOM 1983 N LEU A 124 3.206 -5.738 9.959 1.00 0.00 N ATOM 1984 CA LEU A 124 4.108 -5.590 8.853 1.00 0.00 C ATOM 1985 C LEU A 124 3.988 -4.163 8.322 1.00 0.00 C ATOM 1986 O LEU A 124 4.979 -3.473 8.064 1.00 0.00 O ATOM 1987 CB LEU A 124 3.690 -6.663 7.805 1.00 0.00 C ATOM 1988 CG LEU A 124 4.493 -6.824 6.511 1.00 0.00 C ATOM 1989 CD1 LEU A 124 4.355 -5.650 5.589 1.00 0.00 C ATOM 1990 CD2 LEU A 124 5.939 -7.131 6.800 1.00 0.00 C ATOM 0 H LEU A 124 2.472 -6.424 9.783 1.00 0.00 H new ATOM 0 HA LEU A 124 5.154 -5.742 9.121 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.694 -7.629 8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.658 -6.455 7.522 1.00 0.00 H new ATOM 0 HG LEU A 124 4.065 -7.677 5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 124 4.946 -5.822 4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.307 -5.523 5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 124 4.711 -4.750 6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 124 6.483 -7.240 5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 124 6.375 -6.317 7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 124 6.007 -8.059 7.368 1.00 0.00 H new ATOM 2002 N LEU A 125 2.779 -3.737 8.193 1.00 0.00 N ATOM 2003 CA LEU A 125 2.478 -2.412 7.718 1.00 0.00 C ATOM 2004 C LEU A 125 2.802 -1.360 8.774 1.00 0.00 C ATOM 2005 O LEU A 125 3.388 -0.337 8.468 1.00 0.00 O ATOM 2006 CB LEU A 125 1.020 -2.357 7.285 1.00 0.00 C ATOM 2007 CG LEU A 125 0.657 -3.355 6.185 1.00 0.00 C ATOM 2008 CD1 LEU A 125 -0.823 -3.329 5.886 1.00 0.00 C ATOM 2009 CD2 LEU A 125 1.457 -3.058 4.937 1.00 0.00 C ATOM 0 H LEU A 125 1.956 -4.297 8.414 1.00 0.00 H new ATOM 0 HA LEU A 125 3.105 -2.184 6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.387 -2.543 8.153 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.794 -1.350 6.936 1.00 0.00 H new ATOM 0 HG LEU A 125 0.904 -4.357 6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -1.048 -4.050 5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.381 -3.588 6.786 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.110 -2.331 5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.194 -3.773 4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 125 1.234 -2.048 4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 125 2.521 -3.139 5.159 1.00 0.00 H new ATOM 2021 N ARG A 126 2.463 -1.643 10.016 1.00 0.00 N ATOM 2022 CA ARG A 126 2.726 -0.727 11.121 1.00 0.00 C ATOM 2023 C ARG A 126 4.209 -0.433 11.334 1.00 0.00 C ATOM 2024 O ARG A 126 4.583 0.717 11.599 1.00 0.00 O ATOM 2025 CB ARG A 126 2.033 -1.177 12.404 1.00 0.00 C ATOM 2026 CG ARG A 126 0.579 -0.741 12.456 1.00 0.00 C ATOM 2027 CD ARG A 126 -0.153 -1.279 13.669 1.00 0.00 C ATOM 2028 NE ARG A 126 -1.375 -0.489 13.952 1.00 0.00 N ATOM 2029 CZ ARG A 126 -2.523 -0.948 14.488 1.00 0.00 C ATOM 2030 NH1 ARG A 126 -2.727 -2.246 14.651 1.00 0.00 N ATOM 2031 NH2 ARG A 126 -3.484 -0.092 14.817 1.00 0.00 N ATOM 0 H ARG A 126 2.000 -2.509 10.293 1.00 0.00 H new ATOM 0 HA ARG A 126 2.286 0.227 10.830 1.00 0.00 H new ATOM 0 HB2 ARG A 126 2.088 -2.263 12.482 1.00 0.00 H new ATOM 0 HB3 ARG A 126 2.564 -0.768 13.264 1.00 0.00 H new ATOM 0 HG2 ARG A 126 0.531 0.348 12.462 1.00 0.00 H new ATOM 0 HG3 ARG A 126 0.071 -1.077 11.552 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -0.422 -2.322 13.502 1.00 0.00 H new ATOM 0 HD3 ARG A 126 0.507 -1.255 14.536 1.00 0.00 H new ATOM 0 HE ARG A 126 -1.344 0.503 13.717 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -2.010 -2.914 14.369 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.601 -2.578 15.058 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.351 0.908 14.664 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -4.355 -0.434 15.223 1.00 0.00 H new ATOM 2045 N LYS A 127 5.058 -1.438 11.178 1.00 0.00 N ATOM 2046 CA LYS A 127 6.498 -1.220 11.327 1.00 0.00 C ATOM 2047 C LYS A 127 7.015 -0.387 10.165 1.00 0.00 C ATOM 2048 O LYS A 127 7.869 0.497 10.333 1.00 0.00 O ATOM 2049 CB LYS A 127 7.258 -2.549 11.441 1.00 0.00 C ATOM 2050 CG LYS A 127 7.168 -3.429 10.208 1.00 0.00 C ATOM 2051 CD LYS A 127 7.669 -4.840 10.433 1.00 0.00 C ATOM 2052 CE LYS A 127 9.199 -4.970 10.603 1.00 0.00 C ATOM 2053 NZ LYS A 127 9.706 -4.465 11.897 1.00 0.00 N ATOM 0 H LYS A 127 4.788 -2.395 10.953 1.00 0.00 H new ATOM 0 HA LYS A 127 6.672 -0.674 12.254 1.00 0.00 H new ATOM 0 HB2 LYS A 127 8.307 -2.337 11.646 1.00 0.00 H new ATOM 0 HB3 LYS A 127 6.872 -3.103 12.297 1.00 0.00 H new ATOM 0 HG2 LYS A 127 6.131 -3.469 9.875 1.00 0.00 H new ATOM 0 HG3 LYS A 127 7.743 -2.972 9.403 1.00 0.00 H new ATOM 0 HD2 LYS A 127 7.184 -5.244 11.322 1.00 0.00 H new ATOM 0 HD3 LYS A 127 7.358 -5.458 9.591 1.00 0.00 H new ATOM 0 HE2 LYS A 127 9.478 -6.019 10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 127 9.691 -4.428 9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 10.436 -5.111 12.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 10.116 -3.519 11.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 8.923 -4.410 12.579 1.00 0.00 H new ATOM 2067 N SER A 128 6.465 -0.654 9.003 1.00 0.00 N ATOM 2068 CA SER A 128 6.794 0.075 7.807 1.00 0.00 C ATOM 2069 C SER A 128 6.319 1.539 7.881 1.00 0.00 C ATOM 2070 O SER A 128 6.973 2.435 7.342 1.00 0.00 O ATOM 2071 CB SER A 128 6.202 -0.651 6.611 1.00 0.00 C ATOM 2072 OG SER A 128 6.747 -1.961 6.526 1.00 0.00 O ATOM 0 H SER A 128 5.772 -1.389 8.864 1.00 0.00 H new ATOM 0 HA SER A 128 7.878 0.115 7.699 1.00 0.00 H new ATOM 0 HB2 SER A 128 5.117 -0.704 6.706 1.00 0.00 H new ATOM 0 HB3 SER A 128 6.415 -0.098 5.696 1.00 0.00 H new ATOM 0 HG SER A 128 6.191 -2.581 7.043 1.00 0.00 H new ATOM 2078 N GLU A 129 5.209 1.785 8.574 1.00 0.00 N ATOM 2079 CA GLU A 129 4.699 3.138 8.711 1.00 0.00 C ATOM 2080 C GLU A 129 5.614 3.955 9.571 1.00 0.00 C ATOM 2081 O GLU A 129 5.977 5.070 9.217 1.00 0.00 O ATOM 2082 CB GLU A 129 3.293 3.176 9.294 1.00 0.00 C ATOM 2083 CG GLU A 129 2.777 4.598 9.400 1.00 0.00 C ATOM 2084 CD GLU A 129 1.413 4.741 9.998 1.00 0.00 C ATOM 2085 OE1 GLU A 129 1.263 4.542 11.221 1.00 0.00 O ATOM 2086 OE2 GLU A 129 0.500 5.158 9.296 1.00 0.00 O ATOM 0 H GLU A 129 4.654 1.070 9.043 1.00 0.00 H new ATOM 0 HA GLU A 129 4.654 3.559 7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 129 2.621 2.589 8.667 1.00 0.00 H new ATOM 0 HB3 GLU A 129 3.294 2.713 10.281 1.00 0.00 H new ATOM 0 HG2 GLU A 129 3.480 5.178 9.997 1.00 0.00 H new ATOM 0 HG3 GLU A 129 2.766 5.038 8.403 1.00 0.00 H new ATOM 2093 N ALA A 130 6.000 3.386 10.694 1.00 0.00 N ATOM 2094 CA ALA A 130 6.903 4.060 11.622 1.00 0.00 C ATOM 2095 C ALA A 130 8.231 4.396 10.922 1.00 0.00 C ATOM 2096 O ALA A 130 8.844 5.437 11.188 1.00 0.00 O ATOM 2097 CB ALA A 130 7.139 3.201 12.855 1.00 0.00 C ATOM 0 H ALA A 130 5.705 2.456 10.993 1.00 0.00 H new ATOM 0 HA ALA A 130 6.441 4.993 11.946 1.00 0.00 H new ATOM 0 HB1 ALA A 130 7.814 3.719 13.536 1.00 0.00 H new ATOM 0 HB2 ALA A 130 6.189 3.016 13.357 1.00 0.00 H new ATOM 0 HB3 ALA A 130 7.583 2.251 12.557 1.00 0.00 H new ATOM 2103 N GLN A 131 8.638 3.515 10.005 1.00 0.00 N ATOM 2104 CA GLN A 131 9.836 3.706 9.192 1.00 0.00 C ATOM 2105 C GLN A 131 9.646 4.927 8.289 1.00 0.00 C ATOM 2106 O GLN A 131 10.469 5.840 8.255 1.00 0.00 O ATOM 2107 CB GLN A 131 10.016 2.496 8.282 1.00 0.00 C ATOM 2108 CG GLN A 131 11.283 2.524 7.441 1.00 0.00 C ATOM 2109 CD GLN A 131 11.164 1.681 6.184 1.00 0.00 C ATOM 2110 OE1 GLN A 131 11.468 0.482 6.169 1.00 0.00 O ATOM 2111 NE2 GLN A 131 10.731 2.301 5.120 1.00 0.00 N ATOM 0 H GLN A 131 8.142 2.646 9.807 1.00 0.00 H new ATOM 0 HA GLN A 131 10.696 3.838 9.848 1.00 0.00 H new ATOM 0 HB2 GLN A 131 10.021 1.594 8.894 1.00 0.00 H new ATOM 0 HB3 GLN A 131 9.155 2.425 7.617 1.00 0.00 H new ATOM 0 HG2 GLN A 131 11.509 3.554 7.164 1.00 0.00 H new ATOM 0 HG3 GLN A 131 12.120 2.164 8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 131 10.490 3.291 5.169 1.00 0.00 H new ATOM 0 HE22 GLN A 131 10.634 1.796 4.239 1.00 0.00 H new ATOM 2120 N ALA A 132 8.526 4.934 7.598 1.00 0.00 N ATOM 2121 CA ALA A 132 8.200 5.976 6.652 1.00 0.00 C ATOM 2122 C ALA A 132 8.033 7.332 7.332 1.00 0.00 C ATOM 2123 O ALA A 132 8.414 8.375 6.773 1.00 0.00 O ATOM 2124 CB ALA A 132 6.954 5.603 5.878 1.00 0.00 C ATOM 0 H ALA A 132 7.812 4.210 7.679 1.00 0.00 H new ATOM 0 HA ALA A 132 9.034 6.069 5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 132 6.716 6.395 5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 132 7.126 4.671 5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 132 6.121 5.474 6.569 1.00 0.00 H new ATOM 2130 N LYS A 133 7.477 7.308 8.531 1.00 0.00 N ATOM 2131 CA LYS A 133 7.249 8.499 9.320 1.00 0.00 C ATOM 2132 C LYS A 133 8.535 9.144 9.765 1.00 0.00 C ATOM 2133 O LYS A 133 8.740 10.334 9.541 1.00 0.00 O ATOM 2134 CB LYS A 133 6.380 8.174 10.526 1.00 0.00 C ATOM 2135 CG LYS A 133 4.923 8.005 10.187 1.00 0.00 C ATOM 2136 CD LYS A 133 4.100 7.571 11.381 1.00 0.00 C ATOM 2137 CE LYS A 133 2.634 7.727 11.064 1.00 0.00 C ATOM 2138 NZ LYS A 133 1.741 7.197 12.106 1.00 0.00 N ATOM 0 H LYS A 133 7.169 6.449 8.986 1.00 0.00 H new ATOM 0 HA LYS A 133 6.731 9.215 8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 133 6.745 7.258 10.991 1.00 0.00 H new ATOM 0 HB3 LYS A 133 6.484 8.970 11.264 1.00 0.00 H new ATOM 0 HG2 LYS A 133 4.531 8.946 9.801 1.00 0.00 H new ATOM 0 HG3 LYS A 133 4.821 7.267 9.391 1.00 0.00 H new ATOM 0 HD2 LYS A 133 4.321 6.533 11.630 1.00 0.00 H new ATOM 0 HD3 LYS A 133 4.360 8.171 12.253 1.00 0.00 H new ATOM 0 HE2 LYS A 133 2.415 8.784 10.914 1.00 0.00 H new ATOM 0 HE3 LYS A 133 2.420 7.221 10.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 0.777 7.556 11.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 1.735 6.158 12.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 2.079 7.502 13.041 1.00 0.00 H new ATOM 2152 N LYS A 134 9.424 8.355 10.346 1.00 0.00 N ATOM 2153 CA LYS A 134 10.667 8.896 10.867 1.00 0.00 C ATOM 2154 C LYS A 134 11.549 9.458 9.757 1.00 0.00 C ATOM 2155 O LYS A 134 12.162 10.524 9.923 1.00 0.00 O ATOM 2156 CB LYS A 134 11.436 7.868 11.713 1.00 0.00 C ATOM 2157 CG LYS A 134 11.836 6.599 10.971 1.00 0.00 C ATOM 2158 CD LYS A 134 12.702 5.681 11.816 1.00 0.00 C ATOM 2159 CE LYS A 134 14.072 6.288 12.077 1.00 0.00 C ATOM 2160 NZ LYS A 134 14.924 5.397 12.879 1.00 0.00 N ATOM 0 H LYS A 134 9.310 7.349 10.468 1.00 0.00 H new ATOM 0 HA LYS A 134 10.394 9.721 11.525 1.00 0.00 H new ATOM 0 HB2 LYS A 134 12.336 8.342 12.105 1.00 0.00 H new ATOM 0 HB3 LYS A 134 10.822 7.592 12.570 1.00 0.00 H new ATOM 0 HG2 LYS A 134 10.938 6.064 10.662 1.00 0.00 H new ATOM 0 HG3 LYS A 134 12.375 6.868 10.063 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.204 5.482 12.765 1.00 0.00 H new ATOM 0 HD3 LYS A 134 12.818 4.722 11.310 1.00 0.00 H new ATOM 0 HE2 LYS A 134 14.562 6.500 11.127 1.00 0.00 H new ATOM 0 HE3 LYS A 134 13.954 7.240 12.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 15.848 5.848 13.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 14.469 5.215 13.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 15.058 4.498 12.374 1.00 0.00 H new ATOM 2174 N GLU A 135 11.547 8.795 8.597 1.00 0.00 N ATOM 2175 CA GLU A 135 12.407 9.210 7.507 1.00 0.00 C ATOM 2176 C GLU A 135 11.741 10.295 6.681 1.00 0.00 C ATOM 2177 O GLU A 135 12.389 10.933 5.844 1.00 0.00 O ATOM 2178 CB GLU A 135 12.815 8.040 6.611 1.00 0.00 C ATOM 2179 CG GLU A 135 13.472 6.876 7.332 1.00 0.00 C ATOM 2180 CD GLU A 135 14.035 5.854 6.372 1.00 0.00 C ATOM 2181 OE1 GLU A 135 13.296 5.324 5.522 1.00 0.00 O ATOM 2182 OE2 GLU A 135 15.241 5.553 6.452 1.00 0.00 O ATOM 0 H GLU A 135 10.965 7.981 8.398 1.00 0.00 H new ATOM 0 HA GLU A 135 13.316 9.610 7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 135 11.929 7.673 6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 135 13.501 8.409 5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 135 14.272 7.251 7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 135 12.742 6.396 7.984 1.00 0.00 H new ATOM 2189 N LYS A 136 10.442 10.495 6.916 1.00 0.00 N ATOM 2190 CA LYS A 136 9.673 11.568 6.289 1.00 0.00 C ATOM 2191 C LYS A 136 9.561 11.406 4.779 1.00 0.00 C ATOM 2192 O LYS A 136 9.973 12.284 3.994 1.00 0.00 O ATOM 2193 CB LYS A 136 10.176 12.943 6.732 1.00 0.00 C ATOM 2194 CG LYS A 136 10.156 13.063 8.240 1.00 0.00 C ATOM 2195 CD LYS A 136 10.737 14.351 8.742 1.00 0.00 C ATOM 2196 CE LYS A 136 10.787 14.328 10.257 1.00 0.00 C ATOM 2197 NZ LYS A 136 11.678 13.252 10.767 1.00 0.00 N ATOM 0 H LYS A 136 9.893 9.914 7.550 1.00 0.00 H new ATOM 0 HA LYS A 136 8.647 11.491 6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 136 11.190 13.100 6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 136 9.553 13.722 6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 136 9.128 12.976 8.591 1.00 0.00 H new ATOM 0 HG3 LYS A 136 10.711 12.230 8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 136 11.739 14.492 8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 136 10.133 15.192 8.400 1.00 0.00 H new ATOM 0 HE2 LYS A 136 11.137 15.293 10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 136 9.781 14.183 10.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 11.847 13.394 11.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 11.227 12.327 10.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 12.585 13.282 10.258 1.00 0.00 H new ATOM 2211 N LEU A 137 9.104 10.219 4.392 1.00 0.00 N ATOM 2212 CA LEU A 137 8.862 9.831 2.985 1.00 0.00 C ATOM 2213 C LEU A 137 7.783 10.708 2.321 1.00 0.00 C ATOM 2214 O LEU A 137 7.318 11.646 2.915 1.00 0.00 O ATOM 2215 CB LEU A 137 8.450 8.357 2.906 1.00 0.00 C ATOM 2216 CG LEU A 137 9.561 7.280 2.951 1.00 0.00 C ATOM 2217 CD1 LEU A 137 10.449 7.375 1.723 1.00 0.00 C ATOM 2218 CD2 LEU A 137 10.402 7.393 4.198 1.00 0.00 C ATOM 0 H LEU A 137 8.883 9.475 5.054 1.00 0.00 H new ATOM 0 HA LEU A 137 9.795 9.982 2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 137 7.762 8.160 3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 137 7.889 8.218 1.982 1.00 0.00 H new ATOM 0 HG LEU A 137 9.066 6.309 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 137 11.223 6.610 1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 137 9.848 7.224 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 137 10.914 8.360 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 137 11.170 6.619 4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 137 10.876 8.374 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 137 9.769 7.267 5.076 1.00 0.00 H new ATOM 2230 N ASN A 138 7.360 10.333 1.109 1.00 0.00 N ATOM 2231 CA ASN A 138 6.442 11.149 0.248 1.00 0.00 C ATOM 2232 C ASN A 138 5.306 11.848 0.997 1.00 0.00 C ATOM 2233 O ASN A 138 5.259 13.072 1.035 1.00 0.00 O ATOM 2234 CB ASN A 138 5.826 10.294 -0.872 1.00 0.00 C ATOM 2235 CG ASN A 138 6.833 9.780 -1.869 1.00 0.00 C ATOM 2236 OD1 ASN A 138 7.125 10.430 -2.862 1.00 0.00 O ATOM 2237 ND2 ASN A 138 7.349 8.596 -1.641 1.00 0.00 N ATOM 0 H ASN A 138 7.637 9.451 0.678 1.00 0.00 H new ATOM 0 HA ASN A 138 7.086 11.929 -0.159 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.306 9.447 -0.425 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.077 10.886 -1.398 1.00 0.00 H new ATOM 0 HD21 ASN A 138 8.014 8.194 -2.302 1.00 0.00 H new ATOM 0 HD22 ASN A 138 7.086 8.078 -0.803 1.00 0.00 H new ATOM 2244 N ILE A 139 4.445 11.098 1.643 1.00 0.00 N ATOM 2245 CA ILE A 139 3.311 11.718 2.350 1.00 0.00 C ATOM 2246 C ILE A 139 3.674 12.205 3.757 1.00 0.00 C ATOM 2247 O ILE A 139 2.893 12.894 4.402 1.00 0.00 O ATOM 2248 CB ILE A 139 2.060 10.810 2.413 1.00 0.00 C ATOM 2249 CG1 ILE A 139 2.314 9.573 3.283 1.00 0.00 C ATOM 2250 CG2 ILE A 139 1.645 10.407 0.999 1.00 0.00 C ATOM 2251 CD1 ILE A 139 1.113 8.677 3.444 1.00 0.00 C ATOM 0 H ILE A 139 4.490 10.081 1.704 1.00 0.00 H new ATOM 0 HA ILE A 139 3.061 12.590 1.745 1.00 0.00 H new ATOM 0 HB ILE A 139 1.247 11.370 2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 139 3.129 8.996 2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 139 2.647 9.898 4.269 1.00 0.00 H new ATOM 0 HG21 ILE A 139 0.764 9.767 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 139 1.414 11.301 0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 139 2.461 9.865 0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 139 1.376 7.826 4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 139 0.302 9.236 3.911 1.00 0.00 H new ATOM 0 HD13 ILE A 139 0.792 8.320 2.466 1.00 0.00 H new ATOM 2263 N TRP A 140 4.852 11.849 4.226 1.00 0.00 N ATOM 2264 CA TRP A 140 5.270 12.216 5.574 1.00 0.00 C ATOM 2265 C TRP A 140 6.259 13.368 5.525 1.00 0.00 C ATOM 2266 O TRP A 140 6.756 13.828 6.544 1.00 0.00 O ATOM 2267 CB TRP A 140 5.882 11.004 6.311 1.00 0.00 C ATOM 2268 CG TRP A 140 4.969 9.818 6.342 1.00 0.00 C ATOM 2269 CD1 TRP A 140 5.136 8.640 5.682 1.00 0.00 C ATOM 2270 CD2 TRP A 140 3.725 9.714 7.039 1.00 0.00 C ATOM 2271 NE1 TRP A 140 4.086 7.798 5.947 1.00 0.00 N ATOM 2272 CE2 TRP A 140 3.204 8.437 6.772 1.00 0.00 C ATOM 2273 CE3 TRP A 140 3.007 10.575 7.867 1.00 0.00 C ATOM 2274 CZ2 TRP A 140 2.001 8.001 7.305 1.00 0.00 C ATOM 2275 CZ3 TRP A 140 1.811 10.143 8.393 1.00 0.00 C ATOM 2276 CH2 TRP A 140 1.318 8.867 8.110 1.00 0.00 C ATOM 0 H TRP A 140 5.539 11.308 3.700 1.00 0.00 H new ATOM 0 HA TRP A 140 4.389 12.538 6.129 1.00 0.00 H new ATOM 0 HB2 TRP A 140 6.817 10.724 5.825 1.00 0.00 H new ATOM 0 HB3 TRP A 140 6.128 11.293 7.333 1.00 0.00 H new ATOM 0 HD1 TRP A 140 5.973 8.402 5.043 1.00 0.00 H new ATOM 0 HE1 TRP A 140 3.981 6.850 5.587 1.00 0.00 H new ATOM 0 HE3 TRP A 140 3.382 11.563 8.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 1.618 7.014 7.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 1.244 10.801 9.035 1.00 0.00 H new ATOM 0 HH2 TRP A 140 0.375 8.558 8.538 1.00 0.00 H new ATOM 2287 N SER A 141 6.501 13.858 4.328 1.00 0.00 N ATOM 2288 CA SER A 141 7.471 14.912 4.102 1.00 0.00 C ATOM 2289 C SER A 141 6.859 16.299 4.263 1.00 0.00 C ATOM 2290 O SER A 141 7.414 17.308 3.811 1.00 0.00 O ATOM 2291 CB SER A 141 8.115 14.741 2.733 1.00 0.00 C ATOM 2292 OG SER A 141 7.152 14.802 1.688 1.00 0.00 O ATOM 0 H SER A 141 6.031 13.537 3.482 1.00 0.00 H new ATOM 0 HA SER A 141 8.245 14.828 4.865 1.00 0.00 H new ATOM 0 HB2 SER A 141 8.864 15.518 2.583 1.00 0.00 H new ATOM 0 HB3 SER A 141 8.636 13.784 2.693 1.00 0.00 H new ATOM 0 HG SER A 141 6.643 13.965 1.663 1.00 0.00 H new