USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 689 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 29 LYS NZ :NH3+ 157:sc= -0.0567 (180deg=-0.596) USER MOD Set 1.2: A 74 CYS SG : rot -22:sc= -0.234 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -130:sc= -5.76! (180deg=-10.6!) USER MOD Single : A 11 SER OG : rot 96:sc= 1.26 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.349) USER MOD Single : A 17 GLN : amide:sc= 0.145 K(o=0.14,f=-0.73) USER MOD Single : A 19 SER OG : rot -33:sc= 1.01 USER MOD Single : A 23 ASN : amide:sc= -2.02! C(o=-2!,f=-7!) USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00319) USER MOD Single : A 35 HIS : no HD1:sc= -0.0239 X(o=-0.024,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.6!) USER MOD Single : A 39 SER OG : rot -23:sc= 0.984 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0324 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc=-0.00471 X(o=-0.0047,f=-0.21) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.188 K(o=-0.19,f=-3.1!) USER MOD Single : A 58 THR OG1 : rot -31:sc= 0.197 USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= -0.43 (180deg=-0.464) USER MOD Single : A 62 SER OG : rot 180:sc= -0.57 USER MOD Single : A 63 THR OG1 : rot 161:sc= 0.159 USER MOD Single : A 70 TYR OH : rot -6:sc= 1.1 USER MOD Single : A 72 THR OG1 : rot 153:sc= 1.17 USER MOD Single : A 73 SER OG : rot -60:sc= 1.19 USER MOD Single : B 203 THR OG1 : rot 180:sc= 0.0629 USER MOD Single : B 208 LYS NZ :NH3+ 158:sc= 1.28 (180deg=1.19) USER MOD Single : B 210 LYS NZ :NH3+ -168:sc= -0.0315 (180deg=-0.229) USER MOD Single : B 211 TYR OH : rot 180:sc= -0.0301 USER MOD ----------------------------------------------------------------- ATOM 104 N LYS A 8 -14.660 5.933 -3.158 1.00 0.00 N ATOM 105 CA LYS A 8 -14.504 5.659 -4.580 1.00 0.00 C ATOM 106 C LYS A 8 -13.333 4.717 -4.861 1.00 0.00 C ATOM 107 O LYS A 8 -12.335 4.704 -4.136 1.00 0.00 O ATOM 108 CB LYS A 8 -14.326 6.966 -5.342 1.00 0.00 C ATOM 109 CG LYS A 8 -13.076 7.730 -4.978 1.00 0.00 C ATOM 110 CD LYS A 8 -12.866 8.862 -5.953 1.00 0.00 C ATOM 111 CE LYS A 8 -11.537 9.565 -5.726 1.00 0.00 C ATOM 112 NZ LYS A 8 -11.309 10.657 -6.708 1.00 0.00 N ATOM 0 HA LYS A 8 -15.409 5.157 -4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.309 6.751 -6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.193 7.601 -5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.161 8.122 -3.964 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.214 7.063 -4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.903 8.476 -6.972 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.679 9.581 -5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.512 9.975 -4.716 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.727 8.839 -5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.392 11.110 -6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.307 10.263 -7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.068 11.363 -6.624 1.00 0.00 H new ATOM 126 N PRO A 9 -13.445 3.925 -5.939 1.00 0.00 N ATOM 127 CA PRO A 9 -12.448 2.916 -6.292 1.00 0.00 C ATOM 128 C PRO A 9 -11.163 3.539 -6.811 1.00 0.00 C ATOM 129 O PRO A 9 -11.184 4.535 -7.538 1.00 0.00 O ATOM 130 CB PRO A 9 -13.138 2.102 -7.388 1.00 0.00 C ATOM 131 CG PRO A 9 -14.099 3.050 -8.015 1.00 0.00 C ATOM 132 CD PRO A 9 -14.549 3.977 -6.918 1.00 0.00 C ATOM 0 HA PRO A 9 -12.145 2.318 -5.432 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.418 1.728 -8.116 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.651 1.234 -6.973 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.626 3.606 -8.825 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.946 2.517 -8.447 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.707 4.989 -7.289 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.490 3.648 -6.477 1.00 0.00 H new ATOM 140 N MET A 10 -10.048 2.957 -6.412 1.00 0.00 N ATOM 141 CA MET A 10 -8.744 3.449 -6.800 1.00 0.00 C ATOM 142 C MET A 10 -8.443 3.056 -8.243 1.00 0.00 C ATOM 143 O MET A 10 -8.332 1.872 -8.558 1.00 0.00 O ATOM 144 CB MET A 10 -7.673 2.909 -5.857 1.00 0.00 C ATOM 145 CG MET A 10 -6.335 3.597 -6.037 1.00 0.00 C ATOM 146 SD MET A 10 -6.299 5.276 -5.384 1.00 0.00 S ATOM 147 CE MET A 10 -5.808 4.989 -3.696 1.00 0.00 C ATOM 0 H MET A 10 -10.023 2.133 -5.812 1.00 0.00 H new ATOM 0 HA MET A 10 -8.742 4.537 -6.732 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.006 3.034 -4.826 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.552 1.839 -6.025 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.562 3.007 -5.544 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.088 3.623 -7.098 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.487 5.515 -3.025 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.843 3.920 -3.484 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.793 5.356 -3.545 1.00 0.00 H new ATOM 157 N SER A 11 -8.329 4.056 -9.114 1.00 0.00 N ATOM 158 CA SER A 11 -8.128 3.824 -10.542 1.00 0.00 C ATOM 159 C SER A 11 -6.745 3.235 -10.814 1.00 0.00 C ATOM 160 O SER A 11 -5.898 3.217 -9.924 1.00 0.00 O ATOM 161 CB SER A 11 -8.292 5.137 -11.310 1.00 0.00 C ATOM 162 OG SER A 11 -9.391 5.883 -10.813 1.00 0.00 O ATOM 0 H SER A 11 -8.373 5.041 -8.853 1.00 0.00 H new ATOM 0 HA SER A 11 -8.877 3.108 -10.880 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.380 5.728 -11.227 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.440 4.927 -12.369 1.00 0.00 H new ATOM 0 HG SER A 11 -9.071 6.546 -10.166 1.00 0.00 H new ATOM 168 N TYR A 12 -6.514 2.766 -12.037 1.00 0.00 N ATOM 169 CA TYR A 12 -5.225 2.178 -12.406 1.00 0.00 C ATOM 170 C TYR A 12 -4.072 3.128 -12.103 1.00 0.00 C ATOM 171 O TYR A 12 -3.135 2.769 -11.382 1.00 0.00 O ATOM 172 CB TYR A 12 -5.215 1.784 -13.892 1.00 0.00 C ATOM 173 CG TYR A 12 -3.826 1.567 -14.467 1.00 0.00 C ATOM 174 CD1 TYR A 12 -2.864 0.866 -13.759 1.00 0.00 C ATOM 175 CD2 TYR A 12 -3.479 2.075 -15.711 1.00 0.00 C ATOM 176 CE1 TYR A 12 -1.597 0.672 -14.263 1.00 0.00 C ATOM 177 CE2 TYR A 12 -2.212 1.885 -16.230 1.00 0.00 C ATOM 178 CZ TYR A 12 -1.274 1.185 -15.502 1.00 0.00 C ATOM 179 OH TYR A 12 -0.010 0.996 -16.018 1.00 0.00 O ATOM 0 H TYR A 12 -7.201 2.781 -12.791 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.088 1.280 -11.803 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.796 0.870 -14.018 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.717 2.563 -14.467 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.113 0.462 -12.789 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.210 2.627 -16.282 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.862 0.123 -13.693 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.958 2.283 -17.201 1.00 0.00 H new ATOM 0 HH TYR A 12 0.050 1.420 -16.899 1.00 0.00 H new ATOM 189 N GLU A 13 -4.143 4.332 -12.645 1.00 0.00 N ATOM 190 CA GLU A 13 -3.081 5.312 -12.466 1.00 0.00 C ATOM 191 C GLU A 13 -2.891 5.654 -10.993 1.00 0.00 C ATOM 192 O GLU A 13 -1.803 6.056 -10.571 1.00 0.00 O ATOM 193 CB GLU A 13 -3.392 6.568 -13.270 1.00 0.00 C ATOM 194 CG GLU A 13 -3.385 6.333 -14.768 1.00 0.00 C ATOM 195 CD GLU A 13 -3.788 7.569 -15.545 1.00 0.00 C ATOM 196 OE1 GLU A 13 -4.943 7.640 -16.012 1.00 0.00 O ATOM 197 OE2 GLU A 13 -2.954 8.488 -15.677 1.00 0.00 O ATOM 0 H GLU A 13 -4.925 4.656 -13.214 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.149 4.879 -12.830 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.369 6.950 -12.973 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.661 7.339 -13.026 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.389 6.019 -15.080 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.066 5.517 -15.009 1.00 0.00 H new ATOM 204 N GLU A 14 -3.940 5.458 -10.208 1.00 0.00 N ATOM 205 CA GLU A 14 -3.880 5.724 -8.788 1.00 0.00 C ATOM 206 C GLU A 14 -3.242 4.542 -8.073 1.00 0.00 C ATOM 207 O GLU A 14 -2.364 4.718 -7.238 1.00 0.00 O ATOM 208 CB GLU A 14 -5.278 5.973 -8.235 1.00 0.00 C ATOM 209 CG GLU A 14 -5.941 7.252 -8.716 1.00 0.00 C ATOM 210 CD GLU A 14 -7.328 7.436 -8.126 1.00 0.00 C ATOM 211 OE1 GLU A 14 -8.288 6.835 -8.653 1.00 0.00 O ATOM 212 OE2 GLU A 14 -7.470 8.180 -7.131 1.00 0.00 O ATOM 0 H GLU A 14 -4.843 5.115 -10.536 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.276 6.616 -8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.914 5.129 -8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.223 5.997 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.318 8.105 -8.448 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.010 7.237 -9.804 1.00 0.00 H new ATOM 219 N LYS A 15 -3.707 3.340 -8.408 1.00 0.00 N ATOM 220 CA LYS A 15 -3.137 2.105 -7.906 1.00 0.00 C ATOM 221 C LYS A 15 -1.635 2.034 -8.139 1.00 0.00 C ATOM 222 O LYS A 15 -0.871 1.723 -7.224 1.00 0.00 O ATOM 223 CB LYS A 15 -3.805 0.907 -8.571 1.00 0.00 C ATOM 224 CG LYS A 15 -5.187 0.602 -8.024 1.00 0.00 C ATOM 225 CD LYS A 15 -5.625 -0.803 -8.401 1.00 0.00 C ATOM 226 CE LYS A 15 -6.823 -1.264 -7.585 1.00 0.00 C ATOM 227 NZ LYS A 15 -7.458 -2.471 -8.171 1.00 0.00 N ATOM 0 H LYS A 15 -4.495 3.202 -9.040 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.316 2.083 -6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.880 1.092 -9.643 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.171 0.030 -8.442 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.184 0.707 -6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.903 1.326 -8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.876 -0.832 -9.461 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.796 -1.494 -8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.506 -1.479 -6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.556 -0.459 -7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.917 -3.022 -7.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.170 -2.183 -8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.732 -3.055 -8.634 1.00 0.00 H new ATOM 241 N ARG A 16 -1.220 2.305 -9.369 1.00 0.00 N ATOM 242 CA ARG A 16 0.195 2.316 -9.704 1.00 0.00 C ATOM 243 C ARG A 16 0.931 3.314 -8.845 1.00 0.00 C ATOM 244 O ARG A 16 1.971 2.987 -8.269 1.00 0.00 O ATOM 245 CB ARG A 16 0.403 2.626 -11.194 1.00 0.00 C ATOM 246 CG ARG A 16 1.718 3.336 -11.508 1.00 0.00 C ATOM 247 CD ARG A 16 2.059 3.272 -12.984 1.00 0.00 C ATOM 248 NE ARG A 16 3.124 4.205 -13.342 1.00 0.00 N ATOM 249 CZ ARG A 16 3.988 4.007 -14.339 1.00 0.00 C ATOM 250 NH1 ARG A 16 3.953 2.879 -15.043 1.00 0.00 N ATOM 251 NH2 ARG A 16 4.897 4.932 -14.617 1.00 0.00 N ATOM 0 H ARG A 16 -1.842 2.519 -10.148 1.00 0.00 H new ATOM 0 HA ARG A 16 0.601 1.324 -9.507 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.363 1.693 -11.757 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.423 3.245 -11.544 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.651 4.378 -11.196 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.523 2.882 -10.930 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.364 2.258 -13.242 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.169 3.496 -13.572 1.00 0.00 H new ATOM 0 HE ARG A 16 3.213 5.062 -12.796 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.263 2.161 -14.821 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.616 2.732 -15.804 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.934 5.792 -14.069 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.559 4.784 -15.379 1.00 0.00 H new ATOM 265 N GLN A 17 0.390 4.517 -8.723 1.00 0.00 N ATOM 266 CA GLN A 17 1.055 5.511 -7.925 1.00 0.00 C ATOM 267 C GLN A 17 1.044 5.084 -6.464 1.00 0.00 C ATOM 268 O GLN A 17 2.028 5.252 -5.775 1.00 0.00 O ATOM 269 CB GLN A 17 0.450 6.911 -8.122 1.00 0.00 C ATOM 270 CG GLN A 17 1.274 7.998 -7.459 1.00 0.00 C ATOM 271 CD GLN A 17 2.662 8.103 -8.059 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.846 7.912 -9.263 1.00 0.00 O ATOM 273 NE2 GLN A 17 3.653 8.365 -7.229 1.00 0.00 N ATOM 0 H GLN A 17 -0.484 4.815 -9.157 1.00 0.00 H new ATOM 0 HA GLN A 17 2.091 5.585 -8.257 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.368 7.121 -9.188 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.561 6.927 -7.715 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.762 8.955 -7.561 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.355 7.792 -6.392 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.462 8.518 -6.239 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.610 8.415 -7.577 1.00 0.00 H new ATOM 282 N LEU A 18 -0.042 4.449 -6.039 1.00 0.00 N ATOM 283 CA LEU A 18 -0.201 3.998 -4.663 1.00 0.00 C ATOM 284 C LEU A 18 0.867 3.000 -4.279 1.00 0.00 C ATOM 285 O LEU A 18 1.485 3.122 -3.224 1.00 0.00 O ATOM 286 CB LEU A 18 -1.577 3.373 -4.435 1.00 0.00 C ATOM 287 CG LEU A 18 -2.473 4.093 -3.420 1.00 0.00 C ATOM 288 CD1 LEU A 18 -2.900 3.173 -2.297 1.00 0.00 C ATOM 289 CD2 LEU A 18 -1.789 5.308 -2.831 1.00 0.00 C ATOM 0 H LEU A 18 -0.837 4.232 -6.640 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.103 4.882 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.101 3.333 -5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.438 2.344 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.357 4.415 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.533 3.721 -1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.457 2.331 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.018 2.804 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.456 5.791 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.875 5.000 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.543 6.009 -3.628 1.00 0.00 H new ATOM 301 N SER A 19 1.081 2.011 -5.136 1.00 0.00 N ATOM 302 CA SER A 19 2.108 1.021 -4.887 1.00 0.00 C ATOM 303 C SER A 19 3.465 1.715 -4.783 1.00 0.00 C ATOM 304 O SER A 19 4.366 1.261 -4.074 1.00 0.00 O ATOM 305 CB SER A 19 2.116 -0.037 -5.993 1.00 0.00 C ATOM 306 OG SER A 19 2.529 0.503 -7.242 1.00 0.00 O ATOM 0 H SER A 19 0.559 1.877 -6.002 1.00 0.00 H new ATOM 0 HA SER A 19 1.898 0.512 -3.946 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.784 -0.851 -5.711 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.118 -0.464 -6.094 1.00 0.00 H new ATOM 0 HG SER A 19 2.231 1.434 -7.310 1.00 0.00 H new ATOM 312 N LEU A 20 3.581 2.834 -5.493 1.00 0.00 N ATOM 313 CA LEU A 20 4.777 3.670 -5.440 1.00 0.00 C ATOM 314 C LEU A 20 4.828 4.539 -4.165 1.00 0.00 C ATOM 315 O LEU A 20 5.842 4.546 -3.474 1.00 0.00 O ATOM 316 CB LEU A 20 4.854 4.544 -6.695 1.00 0.00 C ATOM 317 CG LEU A 20 4.990 3.770 -8.009 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.851 4.694 -9.214 1.00 0.00 C ATOM 319 CD2 LEU A 20 6.319 3.043 -8.048 1.00 0.00 C ATOM 0 H LEU A 20 2.854 3.185 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 20 5.643 3.009 -5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.958 5.163 -6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.703 5.220 -6.598 1.00 0.00 H new ATOM 0 HG LEU A 20 4.183 3.039 -8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.952 4.114 -10.131 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.872 5.173 -9.194 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.629 5.457 -9.179 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.407 2.495 -8.986 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.131 3.766 -7.972 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.376 2.344 -7.213 1.00 0.00 H new ATOM 331 N ASP A 21 3.754 5.281 -3.856 1.00 0.00 N ATOM 332 CA ASP A 21 3.693 6.088 -2.645 1.00 0.00 C ATOM 333 C ASP A 21 3.983 5.230 -1.422 1.00 0.00 C ATOM 334 O ASP A 21 4.690 5.640 -0.497 1.00 0.00 O ATOM 335 CB ASP A 21 2.343 6.767 -2.496 1.00 0.00 C ATOM 336 CG ASP A 21 1.710 7.209 -3.799 1.00 0.00 C ATOM 337 OD1 ASP A 21 0.508 6.953 -4.011 1.00 0.00 O ATOM 338 OD2 ASP A 21 2.409 7.864 -4.603 1.00 0.00 O ATOM 0 H ASP A 21 2.916 5.334 -4.436 1.00 0.00 H new ATOM 0 HA ASP A 21 4.453 6.865 -2.726 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.661 6.083 -1.990 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.459 7.637 -1.850 1.00 0.00 H new ATOM 343 N ILE A 22 3.453 4.022 -1.450 1.00 0.00 N ATOM 344 CA ILE A 22 3.696 3.042 -0.409 1.00 0.00 C ATOM 345 C ILE A 22 5.171 2.653 -0.341 1.00 0.00 C ATOM 346 O ILE A 22 5.762 2.612 0.735 1.00 0.00 O ATOM 347 CB ILE A 22 2.838 1.790 -0.625 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.385 2.073 -0.234 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.393 0.631 0.177 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.422 0.997 -0.677 1.00 0.00 C ATOM 0 H ILE A 22 2.841 3.692 -2.196 1.00 0.00 H new ATOM 0 HA ILE A 22 3.418 3.503 0.539 1.00 0.00 H new ATOM 0 HB ILE A 22 2.864 1.520 -1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.323 2.182 0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.079 3.025 -0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.775 -0.252 0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.414 0.423 -0.143 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.390 0.887 1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.588 1.263 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.455 0.903 -1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.703 0.047 -0.222 1.00 0.00 H new ATOM 362 N ASN A 23 5.770 2.384 -1.491 1.00 0.00 N ATOM 363 CA ASN A 23 7.158 1.937 -1.532 1.00 0.00 C ATOM 364 C ASN A 23 8.123 3.085 -1.222 1.00 0.00 C ATOM 365 O ASN A 23 9.313 2.860 -0.987 1.00 0.00 O ATOM 366 CB ASN A 23 7.480 1.280 -2.887 1.00 0.00 C ATOM 367 CG ASN A 23 8.214 2.183 -3.875 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.603 2.892 -4.670 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.536 2.136 -3.852 1.00 0.00 N ATOM 0 H ASN A 23 5.322 2.466 -2.404 1.00 0.00 H new ATOM 0 HA ASN A 23 7.292 1.184 -0.755 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.085 0.391 -2.710 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.549 0.946 -3.344 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.078 2.699 -4.507 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.013 1.537 -3.179 1.00 0.00 H new ATOM 376 N LYS A 24 7.613 4.316 -1.230 1.00 0.00 N ATOM 377 CA LYS A 24 8.399 5.472 -0.809 1.00 0.00 C ATOM 378 C LYS A 24 8.643 5.442 0.690 1.00 0.00 C ATOM 379 O LYS A 24 9.663 5.937 1.173 1.00 0.00 O ATOM 380 CB LYS A 24 7.691 6.770 -1.158 1.00 0.00 C ATOM 381 CG LYS A 24 7.575 7.015 -2.643 1.00 0.00 C ATOM 382 CD LYS A 24 6.795 8.284 -2.923 1.00 0.00 C ATOM 383 CE LYS A 24 6.363 8.369 -4.369 1.00 0.00 C ATOM 384 NZ LYS A 24 7.523 8.501 -5.287 1.00 0.00 N ATOM 0 H LYS A 24 6.661 4.537 -1.523 1.00 0.00 H new ATOM 0 HA LYS A 24 9.351 5.424 -1.338 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.692 6.758 -0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.229 7.601 -0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.570 7.091 -3.082 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.081 6.167 -3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.917 8.321 -2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.409 9.150 -2.675 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.793 7.478 -4.630 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.698 9.223 -4.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.183 8.590 -6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.072 9.347 -5.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.127 7.658 -5.206 1.00 0.00 H new ATOM 398 N LEU A 25 7.684 4.888 1.423 1.00 0.00 N ATOM 399 CA LEU A 25 7.779 4.794 2.867 1.00 0.00 C ATOM 400 C LEU A 25 9.020 4.021 3.290 1.00 0.00 C ATOM 401 O LEU A 25 9.487 3.127 2.582 1.00 0.00 O ATOM 402 CB LEU A 25 6.559 4.079 3.435 1.00 0.00 C ATOM 403 CG LEU A 25 5.201 4.571 2.960 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.132 3.628 3.468 1.00 0.00 C ATOM 405 CD2 LEU A 25 4.931 5.984 3.453 1.00 0.00 C ATOM 0 H LEU A 25 6.827 4.496 1.033 1.00 0.00 H new ATOM 0 HA LEU A 25 7.836 5.812 3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.641 3.019 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.591 4.161 4.521 1.00 0.00 H new ATOM 0 HG LEU A 25 5.191 4.591 1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.154 3.972 3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.317 2.626 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.155 3.605 4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.954 6.312 3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.946 5.998 4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.699 6.656 3.071 1.00 0.00 H new ATOM 417 N PRO A 26 9.590 4.390 4.439 1.00 0.00 N ATOM 418 CA PRO A 26 10.604 3.573 5.098 1.00 0.00 C ATOM 419 C PRO A 26 10.032 2.207 5.483 1.00 0.00 C ATOM 420 O PRO A 26 8.817 2.080 5.661 1.00 0.00 O ATOM 421 CB PRO A 26 10.985 4.363 6.356 1.00 0.00 C ATOM 422 CG PRO A 26 10.385 5.728 6.201 1.00 0.00 C ATOM 423 CD PRO A 26 9.311 5.648 5.147 1.00 0.00 C ATOM 0 HA PRO A 26 11.460 3.383 4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.605 3.872 7.252 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.068 4.425 6.462 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.965 6.069 7.147 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.149 6.450 5.912 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.316 5.642 5.592 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.352 6.502 4.471 1.00 0.00 H new ATOM 431 N GLY A 27 10.896 1.200 5.610 1.00 0.00 N ATOM 432 CA GLY A 27 10.444 -0.171 5.848 1.00 0.00 C ATOM 433 C GLY A 27 9.387 -0.288 6.936 1.00 0.00 C ATOM 434 O GLY A 27 8.379 -0.977 6.757 1.00 0.00 O ATOM 0 H GLY A 27 11.909 1.307 5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.043 -0.578 4.920 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.303 -0.785 6.121 1.00 0.00 H new ATOM 438 N GLU A 28 9.613 0.407 8.047 1.00 0.00 N ATOM 439 CA GLU A 28 8.689 0.409 9.182 1.00 0.00 C ATOM 440 C GLU A 28 7.272 0.807 8.759 1.00 0.00 C ATOM 441 O GLU A 28 6.280 0.285 9.273 1.00 0.00 O ATOM 442 CB GLU A 28 9.193 1.392 10.244 1.00 0.00 C ATOM 443 CG GLU A 28 8.326 1.452 11.490 1.00 0.00 C ATOM 444 CD GLU A 28 8.353 0.162 12.278 1.00 0.00 C ATOM 445 OE1 GLU A 28 9.304 -0.036 13.061 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.426 -0.661 12.120 1.00 0.00 O ATOM 0 H GLU A 28 10.441 0.985 8.188 1.00 0.00 H new ATOM 0 HA GLU A 28 8.650 -0.603 9.585 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.206 1.112 10.532 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.250 2.388 9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.666 2.269 12.126 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.299 1.677 11.203 1.00 0.00 H new ATOM 453 N LYS A 29 7.184 1.720 7.808 1.00 0.00 N ATOM 454 CA LYS A 29 5.910 2.287 7.414 1.00 0.00 C ATOM 455 C LYS A 29 5.162 1.382 6.438 1.00 0.00 C ATOM 456 O LYS A 29 3.934 1.399 6.390 1.00 0.00 O ATOM 457 CB LYS A 29 6.110 3.679 6.817 1.00 0.00 C ATOM 458 CG LYS A 29 6.276 4.815 7.842 1.00 0.00 C ATOM 459 CD LYS A 29 5.556 4.588 9.168 1.00 0.00 C ATOM 460 CE LYS A 29 5.838 5.741 10.116 1.00 0.00 C ATOM 461 NZ LYS A 29 5.849 7.056 9.418 1.00 0.00 N ATOM 0 H LYS A 29 7.985 2.085 7.293 1.00 0.00 H new ATOM 0 HA LYS A 29 5.295 2.373 8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.991 3.658 6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.257 3.909 6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.339 4.954 8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.910 5.742 7.400 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.483 4.500 8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.886 3.650 9.615 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.083 5.755 10.902 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.801 5.582 10.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.654 7.814 10.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.782 7.211 8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.118 7.062 8.678 1.00 0.00 H new ATOM 475 N LEU A 30 5.876 0.561 5.679 1.00 0.00 N ATOM 476 CA LEU A 30 5.192 -0.431 4.855 1.00 0.00 C ATOM 477 C LEU A 30 4.628 -1.529 5.751 1.00 0.00 C ATOM 478 O LEU A 30 3.782 -2.317 5.333 1.00 0.00 O ATOM 479 CB LEU A 30 6.094 -1.036 3.777 1.00 0.00 C ATOM 480 CG LEU A 30 6.521 -0.102 2.650 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.924 0.405 2.875 1.00 0.00 C ATOM 482 CD2 LEU A 30 6.434 -0.811 1.309 1.00 0.00 C ATOM 0 H LEU A 30 6.894 0.558 5.615 1.00 0.00 H new ATOM 0 HA LEU A 30 4.385 0.080 4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.992 -1.422 4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.577 -1.889 3.337 1.00 0.00 H new ATOM 0 HG LEU A 30 5.841 0.750 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.206 1.069 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.967 0.951 3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.614 -0.438 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.742 -0.129 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.090 -1.682 1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.407 -1.131 1.133 1.00 0.00 H new ATOM 494 N GLY A 31 5.086 -1.556 6.999 1.00 0.00 N ATOM 495 CA GLY A 31 4.543 -2.482 7.973 1.00 0.00 C ATOM 496 C GLY A 31 3.105 -2.157 8.317 1.00 0.00 C ATOM 497 O GLY A 31 2.358 -3.009 8.794 1.00 0.00 O ATOM 0 H GLY A 31 5.826 -0.950 7.353 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.602 -3.498 7.582 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.149 -2.454 8.879 1.00 0.00 H new ATOM 501 N ARG A 32 2.721 -0.920 8.067 1.00 0.00 N ATOM 502 CA ARG A 32 1.350 -0.478 8.286 1.00 0.00 C ATOM 503 C ARG A 32 0.437 -0.922 7.141 1.00 0.00 C ATOM 504 O ARG A 32 -0.623 -1.491 7.381 1.00 0.00 O ATOM 505 CB ARG A 32 1.307 1.042 8.437 1.00 0.00 C ATOM 506 CG ARG A 32 -0.077 1.641 8.218 1.00 0.00 C ATOM 507 CD ARG A 32 -0.760 2.015 9.520 1.00 0.00 C ATOM 508 NE ARG A 32 0.044 2.918 10.343 1.00 0.00 N ATOM 509 CZ ARG A 32 -0.408 4.060 10.864 1.00 0.00 C ATOM 510 NH1 ARG A 32 -1.626 4.501 10.569 1.00 0.00 N ATOM 511 NH2 ARG A 32 0.372 4.769 11.670 1.00 0.00 N ATOM 0 H ARG A 32 3.343 -0.195 7.709 1.00 0.00 H new ATOM 0 HA ARG A 32 0.987 -0.939 9.205 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.655 1.309 9.435 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.003 1.489 7.727 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.009 2.527 7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.698 0.926 7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.718 2.487 9.300 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.974 1.108 10.086 1.00 0.00 H new ATOM 0 HE ARG A 32 1.012 2.658 10.531 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.224 3.965 9.940 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.963 5.375 10.972 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.312 4.440 11.889 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.031 5.643 12.071 1.00 0.00 H new ATOM 525 N VAL A 33 0.844 -0.658 5.900 1.00 0.00 N ATOM 526 CA VAL A 33 0.040 -1.038 4.736 1.00 0.00 C ATOM 527 C VAL A 33 -0.151 -2.540 4.653 1.00 0.00 C ATOM 528 O VAL A 33 -1.247 -2.996 4.341 1.00 0.00 O ATOM 529 CB VAL A 33 0.622 -0.511 3.409 1.00 0.00 C ATOM 530 CG1 VAL A 33 0.196 0.929 3.191 1.00 0.00 C ATOM 531 CG2 VAL A 33 2.134 -0.613 3.388 1.00 0.00 C ATOM 0 H VAL A 33 1.719 -0.186 5.674 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.931 -0.566 4.883 1.00 0.00 H new ATOM 0 HB VAL A 33 0.232 -1.131 2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.612 1.293 2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.892 0.985 3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.562 1.545 4.012 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.511 -0.233 2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.550 -0.024 4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.430 -1.656 3.505 1.00 0.00 H new ATOM 541 N VAL A 34 0.890 -3.317 4.945 1.00 0.00 N ATOM 542 CA VAL A 34 0.733 -4.760 4.981 1.00 0.00 C ATOM 543 C VAL A 34 -0.283 -5.133 6.055 1.00 0.00 C ATOM 544 O VAL A 34 -1.134 -5.981 5.837 1.00 0.00 O ATOM 545 CB VAL A 34 2.067 -5.513 5.210 1.00 0.00 C ATOM 546 CG1 VAL A 34 3.109 -5.081 4.197 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.593 -5.324 6.621 1.00 0.00 C ATOM 0 H VAL A 34 1.829 -2.977 5.155 1.00 0.00 H new ATOM 0 HA VAL A 34 0.374 -5.072 4.000 1.00 0.00 H new ATOM 0 HB VAL A 34 1.862 -6.575 5.075 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.038 -5.623 4.377 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.751 -5.299 3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.289 -4.010 4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.530 -5.869 6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.765 -4.264 6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.862 -5.703 7.336 1.00 0.00 H new ATOM 557 N HIS A 35 -0.223 -4.438 7.187 1.00 0.00 N ATOM 558 CA HIS A 35 -1.158 -4.660 8.282 1.00 0.00 C ATOM 559 C HIS A 35 -2.581 -4.300 7.855 1.00 0.00 C ATOM 560 O HIS A 35 -3.535 -5.003 8.188 1.00 0.00 O ATOM 561 CB HIS A 35 -0.727 -3.843 9.505 1.00 0.00 C ATOM 562 CG HIS A 35 -1.675 -3.903 10.663 1.00 0.00 C ATOM 563 ND1 HIS A 35 -1.572 -4.834 11.672 1.00 0.00 N ATOM 564 CD2 HIS A 35 -2.740 -3.129 10.976 1.00 0.00 C ATOM 565 CE1 HIS A 35 -2.531 -4.632 12.553 1.00 0.00 C ATOM 566 NE2 HIS A 35 -3.254 -3.603 12.156 1.00 0.00 N ATOM 0 H HIS A 35 0.469 -3.711 7.369 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.149 -5.717 8.549 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.250 -4.195 9.834 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.606 -2.802 9.205 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.115 -2.294 10.403 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.697 -5.211 13.449 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.063 -3.222 12.646 1.00 0.00 H new ATOM 575 N ILE A 36 -2.720 -3.201 7.121 1.00 0.00 N ATOM 576 CA ILE A 36 -4.016 -2.809 6.589 1.00 0.00 C ATOM 577 C ILE A 36 -4.507 -3.839 5.582 1.00 0.00 C ATOM 578 O ILE A 36 -5.559 -4.437 5.770 1.00 0.00 O ATOM 579 CB ILE A 36 -3.997 -1.418 5.918 1.00 0.00 C ATOM 580 CG1 ILE A 36 -3.690 -0.325 6.934 1.00 0.00 C ATOM 581 CG2 ILE A 36 -5.350 -1.158 5.275 1.00 0.00 C ATOM 582 CD1 ILE A 36 -3.381 1.010 6.299 1.00 0.00 C ATOM 0 H ILE A 36 -1.955 -2.570 6.883 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.693 -2.756 7.441 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.214 -1.404 5.160 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.542 -0.212 7.605 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.842 -0.634 7.545 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.344 -0.177 4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.550 -1.924 4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.127 -1.186 6.039 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.172 1.743 7.078 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.511 0.911 5.650 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.237 1.340 5.711 1.00 0.00 H new ATOM 594 N ILE A 37 -3.738 -4.051 4.522 1.00 0.00 N ATOM 595 CA ILE A 37 -4.111 -5.011 3.495 1.00 0.00 C ATOM 596 C ILE A 37 -4.421 -6.392 4.087 1.00 0.00 C ATOM 597 O ILE A 37 -5.479 -6.941 3.833 1.00 0.00 O ATOM 598 CB ILE A 37 -3.025 -5.148 2.421 1.00 0.00 C ATOM 599 CG1 ILE A 37 -3.048 -3.942 1.496 1.00 0.00 C ATOM 600 CG2 ILE A 37 -3.237 -6.417 1.628 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.707 -3.283 1.333 1.00 0.00 C ATOM 0 H ILE A 37 -2.854 -3.571 4.352 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.016 -4.620 3.030 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.052 -5.197 2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.412 -4.253 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.758 -3.211 1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.461 -6.505 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.189 -7.276 2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.214 -6.386 1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.800 -2.431 0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.349 -2.941 2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.998 -3.999 0.917 1.00 0.00 H new ATOM 613 N GLN A 38 -3.510 -6.936 4.893 1.00 0.00 N ATOM 614 CA GLN A 38 -3.682 -8.282 5.455 1.00 0.00 C ATOM 615 C GLN A 38 -4.975 -8.399 6.263 1.00 0.00 C ATOM 616 O GLN A 38 -5.652 -9.426 6.213 1.00 0.00 O ATOM 617 CB GLN A 38 -2.490 -8.651 6.342 1.00 0.00 C ATOM 618 CG GLN A 38 -1.222 -8.968 5.565 1.00 0.00 C ATOM 619 CD GLN A 38 0.030 -8.923 6.424 1.00 0.00 C ATOM 620 OE1 GLN A 38 0.101 -8.197 7.416 1.00 0.00 O ATOM 621 NE2 GLN A 38 1.033 -9.696 6.044 1.00 0.00 N ATOM 0 H GLN A 38 -2.647 -6.470 5.173 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.740 -8.975 4.616 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.289 -7.827 7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.756 -9.514 6.952 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.314 -9.958 5.119 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.118 -8.258 4.745 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.938 -10.285 5.216 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.902 -9.704 6.578 1.00 0.00 H new ATOM 630 N SER A 39 -5.310 -7.354 7.012 1.00 0.00 N ATOM 631 CA SER A 39 -6.511 -7.357 7.823 1.00 0.00 C ATOM 632 C SER A 39 -7.766 -7.196 6.959 1.00 0.00 C ATOM 633 O SER A 39 -8.765 -7.894 7.156 1.00 0.00 O ATOM 634 CB SER A 39 -6.428 -6.249 8.875 1.00 0.00 C ATOM 635 OG SER A 39 -6.314 -4.966 8.285 1.00 0.00 O ATOM 0 H SER A 39 -4.763 -6.495 7.071 1.00 0.00 H new ATOM 0 HA SER A 39 -6.585 -8.320 8.328 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.316 -6.281 9.506 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.570 -6.428 9.523 1.00 0.00 H new ATOM 0 HG SER A 39 -5.942 -5.053 7.382 1.00 0.00 H new ATOM 641 N ARG A 40 -7.697 -6.294 5.989 1.00 0.00 N ATOM 642 CA ARG A 40 -8.830 -6.011 5.114 1.00 0.00 C ATOM 643 C ARG A 40 -9.000 -7.122 4.078 1.00 0.00 C ATOM 644 O ARG A 40 -10.093 -7.348 3.563 1.00 0.00 O ATOM 645 CB ARG A 40 -8.633 -4.655 4.422 1.00 0.00 C ATOM 646 CG ARG A 40 -8.360 -3.514 5.394 1.00 0.00 C ATOM 647 CD ARG A 40 -9.071 -2.231 5.001 1.00 0.00 C ATOM 648 NE ARG A 40 -10.527 -2.373 4.985 1.00 0.00 N ATOM 649 CZ ARG A 40 -11.368 -1.519 5.575 1.00 0.00 C ATOM 650 NH1 ARG A 40 -10.900 -0.490 6.275 1.00 0.00 N ATOM 651 NH2 ARG A 40 -12.679 -1.701 5.473 1.00 0.00 N ATOM 0 H ARG A 40 -6.863 -5.742 5.787 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.736 -5.968 5.718 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.803 -4.731 3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.523 -4.420 3.839 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.677 -3.809 6.394 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.287 -3.331 5.441 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.795 -1.440 5.698 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.730 -1.919 4.014 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.924 -3.173 4.493 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.894 -0.349 6.364 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.547 0.159 6.723 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.044 -2.493 4.944 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.321 -1.049 5.924 1.00 0.00 H new ATOM 665 N GLU A 41 -7.911 -7.816 3.786 1.00 0.00 N ATOM 666 CA GLU A 41 -7.912 -8.904 2.820 1.00 0.00 C ATOM 667 C GLU A 41 -7.488 -10.206 3.497 1.00 0.00 C ATOM 668 O GLU A 41 -6.305 -10.555 3.494 1.00 0.00 O ATOM 669 CB GLU A 41 -6.948 -8.589 1.675 1.00 0.00 C ATOM 670 CG GLU A 41 -7.123 -7.192 1.099 1.00 0.00 C ATOM 671 CD GLU A 41 -8.435 -7.030 0.356 1.00 0.00 C ATOM 672 OE1 GLU A 41 -9.013 -5.920 0.386 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.909 -8.015 -0.249 1.00 0.00 O ATOM 0 H GLU A 41 -7.001 -7.641 4.212 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.920 -9.017 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.924 -8.700 2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.090 -9.321 0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.074 -6.461 1.906 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.297 -6.976 0.422 1.00 0.00 H new ATOM 680 N PRO A 42 -8.445 -10.945 4.091 1.00 0.00 N ATOM 681 CA PRO A 42 -8.161 -12.207 4.800 1.00 0.00 C ATOM 682 C PRO A 42 -7.547 -13.292 3.906 1.00 0.00 C ATOM 683 O PRO A 42 -7.237 -14.389 4.371 1.00 0.00 O ATOM 684 CB PRO A 42 -9.536 -12.665 5.299 1.00 0.00 C ATOM 685 CG PRO A 42 -10.393 -11.447 5.276 1.00 0.00 C ATOM 686 CD PRO A 42 -9.877 -10.593 4.152 1.00 0.00 C ATOM 0 HA PRO A 42 -7.425 -12.046 5.588 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.946 -13.446 4.658 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.470 -13.080 6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.439 -11.710 5.117 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.339 -10.915 6.226 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.386 -10.812 3.213 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.023 -9.532 4.353 1.00 0.00 H new ATOM 694 N SER A 43 -7.353 -12.974 2.637 1.00 0.00 N ATOM 695 CA SER A 43 -6.877 -13.934 1.661 1.00 0.00 C ATOM 696 C SER A 43 -5.350 -13.982 1.616 1.00 0.00 C ATOM 697 O SER A 43 -4.770 -14.920 1.070 1.00 0.00 O ATOM 698 CB SER A 43 -7.431 -13.552 0.279 1.00 0.00 C ATOM 699 OG SER A 43 -7.204 -12.176 0.013 1.00 0.00 O ATOM 0 H SER A 43 -7.522 -12.043 2.257 1.00 0.00 H new ATOM 0 HA SER A 43 -7.227 -14.925 1.949 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.955 -14.160 -0.490 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.499 -13.765 0.238 1.00 0.00 H new ATOM 0 HG SER A 43 -7.561 -11.950 -0.871 1.00 0.00 H new ATOM 705 N LEU A 44 -4.695 -12.988 2.204 1.00 0.00 N ATOM 706 CA LEU A 44 -3.246 -12.879 2.087 1.00 0.00 C ATOM 707 C LEU A 44 -2.559 -12.765 3.446 1.00 0.00 C ATOM 708 O LEU A 44 -1.446 -12.247 3.547 1.00 0.00 O ATOM 709 CB LEU A 44 -2.892 -11.695 1.183 1.00 0.00 C ATOM 710 CG LEU A 44 -3.501 -10.355 1.571 1.00 0.00 C ATOM 711 CD1 LEU A 44 -2.580 -9.609 2.510 1.00 0.00 C ATOM 712 CD2 LEU A 44 -3.794 -9.533 0.327 1.00 0.00 C ATOM 0 H LEU A 44 -5.137 -12.255 2.759 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.874 -13.799 1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.807 -11.588 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.205 -11.933 0.166 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.442 -10.532 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.030 -8.653 2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.422 -10.201 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.623 -9.434 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.229 -8.577 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.868 -9.359 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.495 -10.073 -0.309 1.00 0.00 H new ATOM 724 N LYS A 45 -3.196 -13.290 4.486 1.00 0.00 N ATOM 725 CA LYS A 45 -2.613 -13.240 5.824 1.00 0.00 C ATOM 726 C LYS A 45 -1.523 -14.300 5.985 1.00 0.00 C ATOM 727 O LYS A 45 -0.860 -14.368 7.018 1.00 0.00 O ATOM 728 CB LYS A 45 -3.684 -13.392 6.915 1.00 0.00 C ATOM 729 CG LYS A 45 -4.551 -14.635 6.779 1.00 0.00 C ATOM 730 CD LYS A 45 -5.744 -14.615 7.729 1.00 0.00 C ATOM 731 CE LYS A 45 -5.372 -15.108 9.122 1.00 0.00 C ATOM 732 NZ LYS A 45 -6.537 -15.115 10.044 1.00 0.00 N ATOM 0 H LYS A 45 -4.105 -13.750 4.432 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.157 -12.257 5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.193 -13.411 7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.327 -12.512 6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.908 -14.716 5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.947 -15.520 6.977 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.137 -13.601 7.796 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.541 -15.239 7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.961 -16.115 9.051 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.589 -14.472 9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.237 -15.457 10.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.915 -14.150 10.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.275 -15.742 9.666 1.00 0.00 H new ATOM 746 N ASN A 46 -1.340 -15.122 4.956 1.00 0.00 N ATOM 747 CA ASN A 46 -0.268 -16.114 4.951 1.00 0.00 C ATOM 748 C ASN A 46 1.058 -15.440 4.608 1.00 0.00 C ATOM 749 O ASN A 46 2.126 -15.927 4.981 1.00 0.00 O ATOM 750 CB ASN A 46 -0.564 -17.258 3.945 1.00 0.00 C ATOM 751 CG ASN A 46 -0.138 -16.933 2.521 1.00 0.00 C ATOM 752 OD1 ASN A 46 1.003 -17.186 2.130 1.00 0.00 O ATOM 753 ND2 ASN A 46 -1.054 -16.397 1.729 1.00 0.00 N ATOM 0 H ASN A 46 -1.919 -15.122 4.116 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.204 -16.553 5.947 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.051 -18.162 4.273 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -1.632 -17.475 3.957 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.825 -16.179 0.759 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.988 -16.202 2.089 1.00 0.00 H new ATOM 760 N SER A 47 0.987 -14.314 3.907 1.00 0.00 N ATOM 761 CA SER A 47 2.177 -13.549 3.585 1.00 0.00 C ATOM 762 C SER A 47 2.726 -12.898 4.849 1.00 0.00 C ATOM 763 O SER A 47 2.034 -12.131 5.515 1.00 0.00 O ATOM 764 CB SER A 47 1.864 -12.492 2.522 1.00 0.00 C ATOM 765 OG SER A 47 1.387 -13.098 1.331 1.00 0.00 O ATOM 0 H SER A 47 0.118 -13.915 3.553 1.00 0.00 H new ATOM 0 HA SER A 47 2.933 -14.221 3.179 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.118 -11.796 2.905 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.761 -11.911 2.306 1.00 0.00 H new ATOM 0 HG SER A 47 1.192 -12.405 0.667 1.00 0.00 H new ATOM 771 N ASN A 48 3.956 -13.235 5.185 1.00 0.00 N ATOM 772 CA ASN A 48 4.606 -12.690 6.372 1.00 0.00 C ATOM 773 C ASN A 48 5.161 -11.312 6.053 1.00 0.00 C ATOM 774 O ASN A 48 5.742 -11.148 4.995 1.00 0.00 O ATOM 775 CB ASN A 48 5.738 -13.618 6.832 1.00 0.00 C ATOM 776 CG ASN A 48 5.505 -14.183 8.218 1.00 0.00 C ATOM 777 OD1 ASN A 48 4.904 -13.536 9.075 1.00 0.00 O ATOM 778 ND2 ASN A 48 5.969 -15.399 8.447 1.00 0.00 N ATOM 0 H ASN A 48 4.532 -13.887 4.653 1.00 0.00 H new ATOM 0 HA ASN A 48 3.875 -12.611 7.177 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.840 -14.439 6.122 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.679 -13.069 6.822 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.834 -15.833 9.360 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.462 -15.904 7.711 1.00 0.00 H new ATOM 785 N PRO A 49 4.988 -10.299 6.922 1.00 0.00 N ATOM 786 CA PRO A 49 5.342 -8.904 6.577 1.00 0.00 C ATOM 787 C PRO A 49 6.762 -8.753 6.021 1.00 0.00 C ATOM 788 O PRO A 49 6.983 -7.996 5.075 1.00 0.00 O ATOM 789 CB PRO A 49 5.188 -8.160 7.904 1.00 0.00 C ATOM 790 CG PRO A 49 4.212 -8.975 8.688 1.00 0.00 C ATOM 791 CD PRO A 49 4.464 -10.410 8.304 1.00 0.00 C ATOM 0 HA PRO A 49 4.708 -8.518 5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.142 -8.078 8.424 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.821 -7.145 7.748 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.352 -8.828 9.759 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.187 -8.684 8.458 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.183 -10.886 8.971 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.551 -11.004 8.343 1.00 0.00 H new ATOM 799 N ASP A 50 7.694 -9.531 6.561 1.00 0.00 N ATOM 800 CA ASP A 50 9.108 -9.447 6.175 1.00 0.00 C ATOM 801 C ASP A 50 9.309 -9.986 4.759 1.00 0.00 C ATOM 802 O ASP A 50 10.278 -9.653 4.078 1.00 0.00 O ATOM 803 CB ASP A 50 9.983 -10.209 7.194 1.00 0.00 C ATOM 804 CG ASP A 50 11.392 -10.491 6.700 1.00 0.00 C ATOM 805 OD1 ASP A 50 11.687 -11.661 6.366 1.00 0.00 O ATOM 806 OD2 ASP A 50 12.218 -9.553 6.674 1.00 0.00 O ATOM 0 H ASP A 50 7.498 -10.234 7.274 1.00 0.00 H new ATOM 0 HA ASP A 50 9.415 -8.401 6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.040 -9.630 8.115 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.498 -11.154 7.441 1.00 0.00 H new ATOM 811 N GLU A 51 8.342 -10.771 4.315 1.00 0.00 N ATOM 812 CA GLU A 51 8.367 -11.397 3.000 1.00 0.00 C ATOM 813 C GLU A 51 7.041 -11.166 2.287 1.00 0.00 C ATOM 814 O GLU A 51 6.578 -12.005 1.512 1.00 0.00 O ATOM 815 CB GLU A 51 8.661 -12.892 3.114 1.00 0.00 C ATOM 816 CG GLU A 51 10.138 -13.208 3.270 1.00 0.00 C ATOM 817 CD GLU A 51 10.938 -12.888 2.022 1.00 0.00 C ATOM 818 OE1 GLU A 51 11.779 -11.968 2.062 1.00 0.00 O ATOM 819 OE2 GLU A 51 10.725 -13.563 0.988 1.00 0.00 O ATOM 0 H GLU A 51 7.510 -10.995 4.860 1.00 0.00 H new ATOM 0 HA GLU A 51 9.166 -10.941 2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.119 -13.297 3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.281 -13.398 2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.540 -12.642 4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.256 -14.264 3.512 1.00 0.00 H new ATOM 826 N ILE A 52 6.424 -10.035 2.596 1.00 0.00 N ATOM 827 CA ILE A 52 5.093 -9.707 2.107 1.00 0.00 C ATOM 828 C ILE A 52 5.050 -9.620 0.578 1.00 0.00 C ATOM 829 O ILE A 52 6.025 -9.231 -0.071 1.00 0.00 O ATOM 830 CB ILE A 52 4.616 -8.357 2.695 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.140 -8.113 2.402 1.00 0.00 C ATOM 832 CG2 ILE A 52 5.416 -7.232 2.094 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.206 -9.167 2.937 1.00 0.00 C ATOM 0 H ILE A 52 6.833 -9.317 3.194 1.00 0.00 H new ATOM 0 HA ILE A 52 4.432 -10.511 2.430 1.00 0.00 H new ATOM 0 HB ILE A 52 4.759 -8.396 3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.855 -7.148 2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.005 -8.043 1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.078 -6.283 2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.472 -7.373 2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.278 -7.224 1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.179 -8.908 2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.457 -10.133 2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.305 -9.225 4.021 1.00 0.00 H new ATOM 845 N GLU A 53 3.919 -10.012 0.017 1.00 0.00 N ATOM 846 CA GLU A 53 3.649 -9.816 -1.389 1.00 0.00 C ATOM 847 C GLU A 53 2.187 -9.398 -1.550 1.00 0.00 C ATOM 848 O GLU A 53 1.285 -10.235 -1.517 1.00 0.00 O ATOM 849 CB GLU A 53 3.934 -11.101 -2.165 1.00 0.00 C ATOM 850 CG GLU A 53 4.477 -10.860 -3.561 1.00 0.00 C ATOM 851 CD GLU A 53 4.530 -12.124 -4.392 1.00 0.00 C ATOM 852 OE1 GLU A 53 4.625 -13.226 -3.809 1.00 0.00 O ATOM 853 OE2 GLU A 53 4.477 -12.024 -5.637 1.00 0.00 O ATOM 0 H GLU A 53 3.166 -10.474 0.526 1.00 0.00 H new ATOM 0 HA GLU A 53 4.296 -9.035 -1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.650 -11.703 -1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.015 -11.683 -2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.853 -10.123 -4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.478 -10.435 -3.489 1.00 0.00 H new ATOM 860 N ILE A 54 1.958 -8.099 -1.691 1.00 0.00 N ATOM 861 CA ILE A 54 0.607 -7.559 -1.771 1.00 0.00 C ATOM 862 C ILE A 54 0.168 -7.450 -3.225 1.00 0.00 C ATOM 863 O ILE A 54 0.929 -7.000 -4.081 1.00 0.00 O ATOM 864 CB ILE A 54 0.504 -6.159 -1.110 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.929 -6.220 0.362 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.922 -5.621 -1.224 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.174 -4.859 0.979 1.00 0.00 C ATOM 0 H ILE A 54 2.695 -7.396 -1.753 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.045 -8.246 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 54 1.179 -5.484 -1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.157 -6.735 0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.838 -6.816 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.979 -4.638 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.197 -5.538 -2.276 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.609 -6.302 -0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.471 -4.980 2.021 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.967 -4.349 0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.260 -4.267 0.929 1.00 0.00 H new ATOM 879 N ASP A 55 -1.054 -7.866 -3.502 1.00 0.00 N ATOM 880 CA ASP A 55 -1.598 -7.762 -4.847 1.00 0.00 C ATOM 881 C ASP A 55 -2.608 -6.626 -4.910 1.00 0.00 C ATOM 882 O ASP A 55 -3.740 -6.750 -4.423 1.00 0.00 O ATOM 883 CB ASP A 55 -2.263 -9.069 -5.278 1.00 0.00 C ATOM 884 CG ASP A 55 -2.581 -9.084 -6.757 1.00 0.00 C ATOM 885 OD1 ASP A 55 -1.814 -9.700 -7.528 1.00 0.00 O ATOM 886 OD2 ASP A 55 -3.588 -8.474 -7.158 1.00 0.00 O ATOM 0 H ASP A 55 -1.688 -8.278 -2.818 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.774 -7.557 -5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.606 -9.905 -5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.181 -9.213 -4.709 1.00 0.00 H new ATOM 891 N PHE A 56 -2.202 -5.523 -5.524 1.00 0.00 N ATOM 892 CA PHE A 56 -3.029 -4.323 -5.574 1.00 0.00 C ATOM 893 C PHE A 56 -4.301 -4.553 -6.380 1.00 0.00 C ATOM 894 O PHE A 56 -5.245 -3.764 -6.318 1.00 0.00 O ATOM 895 CB PHE A 56 -2.243 -3.154 -6.166 1.00 0.00 C ATOM 896 CG PHE A 56 -2.449 -1.905 -5.377 1.00 0.00 C ATOM 897 CD1 PHE A 56 -1.917 -1.806 -4.117 1.00 0.00 C ATOM 898 CD2 PHE A 56 -3.195 -0.852 -5.864 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.121 -0.690 -3.356 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.396 0.279 -5.093 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.853 0.342 -3.839 1.00 0.00 C ATOM 0 H PHE A 56 -1.302 -5.433 -5.996 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.315 -4.081 -4.550 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.182 -3.401 -6.188 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.554 -2.990 -7.198 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.329 -2.621 -3.721 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.625 -0.911 -6.853 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.697 -0.630 -2.365 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.976 1.105 -5.478 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.009 1.220 -3.230 1.00 0.00 H new ATOM 911 N GLU A 57 -4.329 -5.646 -7.118 1.00 0.00 N ATOM 912 CA GLU A 57 -5.450 -5.958 -7.973 1.00 0.00 C ATOM 913 C GLU A 57 -6.473 -6.828 -7.258 1.00 0.00 C ATOM 914 O GLU A 57 -7.552 -7.090 -7.785 1.00 0.00 O ATOM 915 CB GLU A 57 -4.948 -6.644 -9.237 1.00 0.00 C ATOM 916 CG GLU A 57 -4.050 -5.759 -10.076 1.00 0.00 C ATOM 917 CD GLU A 57 -4.775 -4.536 -10.592 1.00 0.00 C ATOM 918 OE1 GLU A 57 -4.613 -3.450 -10.003 1.00 0.00 O ATOM 919 OE2 GLU A 57 -5.527 -4.657 -11.580 1.00 0.00 O ATOM 0 H GLU A 57 -3.579 -6.337 -7.140 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.950 -5.027 -8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.403 -7.547 -8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.802 -6.958 -9.837 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.192 -5.447 -9.481 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.662 -6.332 -10.918 1.00 0.00 H new ATOM 926 N THR A 58 -6.141 -7.265 -6.054 1.00 0.00 N ATOM 927 CA THR A 58 -7.051 -8.086 -5.281 1.00 0.00 C ATOM 928 C THR A 58 -7.663 -7.289 -4.143 1.00 0.00 C ATOM 929 O THR A 58 -8.726 -7.637 -3.629 1.00 0.00 O ATOM 930 CB THR A 58 -6.342 -9.328 -4.718 1.00 0.00 C ATOM 931 OG1 THR A 58 -5.267 -8.946 -3.847 1.00 0.00 O ATOM 932 CG2 THR A 58 -5.796 -10.174 -5.849 1.00 0.00 C ATOM 0 H THR A 58 -5.252 -7.065 -5.595 1.00 0.00 H new ATOM 0 HA THR A 58 -7.844 -8.413 -5.954 1.00 0.00 H new ATOM 0 HB THR A 58 -7.070 -9.907 -4.149 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.889 -8.093 -4.148 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.296 -11.051 -5.439 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.615 -10.492 -6.494 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.083 -9.589 -6.430 1.00 0.00 H new ATOM 940 N LEU A 59 -6.996 -6.204 -3.772 1.00 0.00 N ATOM 941 CA LEU A 59 -7.450 -5.376 -2.662 1.00 0.00 C ATOM 942 C LEU A 59 -8.782 -4.726 -2.988 1.00 0.00 C ATOM 943 O LEU A 59 -9.005 -4.265 -4.111 1.00 0.00 O ATOM 944 CB LEU A 59 -6.425 -4.292 -2.347 1.00 0.00 C ATOM 945 CG LEU A 59 -4.977 -4.771 -2.291 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.042 -3.614 -1.998 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.822 -5.848 -1.239 1.00 0.00 C ATOM 0 H LEU A 59 -6.141 -5.877 -4.222 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.570 -6.021 -1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.504 -3.508 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.680 -3.840 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.715 -5.188 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.015 -3.976 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.135 -2.863 -2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.303 -3.169 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.785 -6.181 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.103 -5.448 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.467 -6.692 -1.484 1.00 0.00 H new ATOM 959 N LYS A 60 -9.668 -4.707 -2.011 1.00 0.00 N ATOM 960 CA LYS A 60 -10.946 -4.044 -2.155 1.00 0.00 C ATOM 961 C LYS A 60 -10.748 -2.527 -2.029 1.00 0.00 C ATOM 962 O LYS A 60 -9.860 -2.089 -1.292 1.00 0.00 O ATOM 963 CB LYS A 60 -11.923 -4.586 -1.100 1.00 0.00 C ATOM 964 CG LYS A 60 -11.700 -4.063 0.309 1.00 0.00 C ATOM 965 CD LYS A 60 -12.707 -4.659 1.286 1.00 0.00 C ATOM 966 CE LYS A 60 -12.222 -5.968 1.912 1.00 0.00 C ATOM 967 NZ LYS A 60 -11.591 -6.886 0.927 1.00 0.00 N ATOM 0 H LYS A 60 -9.523 -5.147 -1.103 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.372 -4.245 -3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.939 -4.339 -1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.850 -5.673 -1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.688 -4.305 0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.785 -2.976 0.314 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.910 -3.937 2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.649 -4.837 0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.505 -5.743 2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.065 -6.473 2.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.298 -7.761 1.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.275 -7.114 0.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.758 -6.426 0.508 1.00 0.00 H new ATOM 981 N PRO A 61 -11.524 -1.714 -2.793 1.00 0.00 N ATOM 982 CA PRO A 61 -11.431 -0.247 -2.794 1.00 0.00 C ATOM 983 C PRO A 61 -11.058 0.375 -1.449 1.00 0.00 C ATOM 984 O PRO A 61 -10.148 1.204 -1.381 1.00 0.00 O ATOM 985 CB PRO A 61 -12.843 0.168 -3.178 1.00 0.00 C ATOM 986 CG PRO A 61 -13.329 -0.906 -4.084 1.00 0.00 C ATOM 987 CD PRO A 61 -12.540 -2.161 -3.767 1.00 0.00 C ATOM 0 HA PRO A 61 -10.638 0.091 -3.461 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.480 0.260 -2.298 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.847 1.137 -3.677 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.396 -1.077 -3.939 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.191 -0.620 -5.127 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.179 -2.938 -3.347 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.078 -2.577 -4.662 1.00 0.00 H new ATOM 995 N SER A 62 -11.756 -0.024 -0.388 1.00 0.00 N ATOM 996 CA SER A 62 -11.536 0.560 0.929 1.00 0.00 C ATOM 997 C SER A 62 -10.092 0.390 1.386 1.00 0.00 C ATOM 998 O SER A 62 -9.490 1.331 1.891 1.00 0.00 O ATOM 999 CB SER A 62 -12.501 -0.037 1.955 1.00 0.00 C ATOM 1000 OG SER A 62 -12.474 -1.451 1.924 1.00 0.00 O ATOM 0 H SER A 62 -12.475 -0.746 -0.416 1.00 0.00 H new ATOM 0 HA SER A 62 -11.732 1.629 0.850 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.236 0.312 2.953 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.513 0.314 1.753 1.00 0.00 H new ATOM 0 HG SER A 62 -13.099 -1.805 2.591 1.00 0.00 H new ATOM 1006 N THR A 63 -9.528 -0.794 1.173 1.00 0.00 N ATOM 1007 CA THR A 63 -8.153 -1.062 1.565 1.00 0.00 C ATOM 1008 C THR A 63 -7.230 -0.122 0.821 1.00 0.00 C ATOM 1009 O THR A 63 -6.461 0.603 1.434 1.00 0.00 O ATOM 1010 CB THR A 63 -7.745 -2.526 1.275 1.00 0.00 C ATOM 1011 OG1 THR A 63 -8.843 -3.401 1.564 1.00 0.00 O ATOM 1012 CG2 THR A 63 -6.540 -2.945 2.105 1.00 0.00 C ATOM 0 H THR A 63 -10.003 -1.581 0.731 1.00 0.00 H new ATOM 0 HA THR A 63 -8.072 -0.903 2.640 1.00 0.00 H new ATOM 0 HB THR A 63 -7.477 -2.594 0.221 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.705 -4.260 1.112 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.282 -3.979 1.875 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.694 -2.299 1.870 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.780 -2.858 3.165 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.374 -0.095 -0.498 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.534 0.731 -1.359 1.00 0.00 C ATOM 1022 C LEU A 64 -6.611 2.197 -0.953 1.00 0.00 C ATOM 1023 O LEU A 64 -5.609 2.905 -0.953 1.00 0.00 O ATOM 1024 CB LEU A 64 -6.975 0.568 -2.816 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.096 -0.873 -3.278 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -8.302 -1.011 -4.161 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.861 -1.294 -4.034 1.00 0.00 C ATOM 0 H LEU A 64 -8.073 -0.642 -1.000 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.500 0.403 -1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.938 1.061 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.262 1.084 -3.459 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.202 -1.516 -2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.392 -2.045 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.195 -0.731 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.195 -0.358 -5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.967 -2.330 -4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.733 -0.654 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.989 -1.203 -3.386 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.799 2.643 -0.589 1.00 0.00 N ATOM 1040 CA ARG A 65 -7.989 4.028 -0.193 1.00 0.00 C ATOM 1041 C ARG A 65 -7.472 4.276 1.223 1.00 0.00 C ATOM 1042 O ARG A 65 -7.101 5.402 1.564 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.459 4.427 -0.312 1.00 0.00 C ATOM 1044 CG ARG A 65 -9.988 4.396 -1.744 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.066 5.146 -2.697 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.719 5.469 -3.966 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.313 6.437 -4.791 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.367 7.289 -4.412 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -9.877 6.576 -5.984 1.00 0.00 N ATOM 0 H ARG A 65 -8.643 2.071 -0.559 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.408 4.652 -0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.060 3.756 0.303 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.588 5.431 0.092 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.089 3.362 -2.073 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.983 4.839 -1.775 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.727 6.066 -2.221 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.179 4.542 -2.891 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.535 4.921 -4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.947 7.206 -3.486 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.061 8.027 -5.047 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.623 5.943 -6.273 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.565 7.316 -6.612 1.00 0.00 H new ATOM 1063 N GLU A 66 -7.427 3.226 2.040 1.00 0.00 N ATOM 1064 CA GLU A 66 -6.857 3.329 3.374 1.00 0.00 C ATOM 1065 C GLU A 66 -5.347 3.423 3.261 1.00 0.00 C ATOM 1066 O GLU A 66 -4.711 4.248 3.913 1.00 0.00 O ATOM 1067 CB GLU A 66 -7.228 2.101 4.204 1.00 0.00 C ATOM 1068 CG GLU A 66 -8.679 2.055 4.648 1.00 0.00 C ATOM 1069 CD GLU A 66 -9.066 3.247 5.482 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -8.643 3.320 6.655 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -9.796 4.120 4.978 1.00 0.00 O ATOM 0 H GLU A 66 -7.778 2.299 1.800 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.252 4.219 3.865 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.011 1.206 3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.590 2.069 5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.323 2.006 3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.851 1.144 5.221 1.00 0.00 H new ATOM 1078 N LEU A 67 -4.796 2.563 2.410 1.00 0.00 N ATOM 1079 CA LEU A 67 -3.369 2.529 2.138 1.00 0.00 C ATOM 1080 C LEU A 67 -2.884 3.913 1.708 1.00 0.00 C ATOM 1081 O LEU A 67 -1.863 4.417 2.178 1.00 0.00 O ATOM 1082 CB LEU A 67 -3.090 1.532 1.014 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.775 0.193 1.176 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.408 -0.740 0.044 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -3.439 -0.406 2.529 1.00 0.00 C ATOM 0 H LEU A 67 -5.332 1.869 1.889 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.843 2.227 3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.404 1.974 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.014 1.370 0.949 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.854 0.342 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.913 -1.696 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.717 -0.301 -0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.329 -0.897 0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.938 -1.370 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.361 -0.545 2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.777 0.266 3.318 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.655 4.509 0.805 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.337 5.795 0.209 1.00 0.00 C ATOM 1099 C GLU A 68 -3.312 6.919 1.229 1.00 0.00 C ATOM 1100 O GLU A 68 -2.270 7.519 1.480 1.00 0.00 O ATOM 1101 CB GLU A 68 -4.375 6.127 -0.848 1.00 0.00 C ATOM 1102 CG GLU A 68 -4.102 7.423 -1.574 1.00 0.00 C ATOM 1103 CD GLU A 68 -4.775 8.624 -0.949 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -4.093 9.645 -0.722 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -5.992 8.555 -0.681 1.00 0.00 O ATOM 0 H GLU A 68 -4.528 4.105 0.465 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.341 5.712 -0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.416 5.315 -1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.356 6.183 -0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.026 7.594 -1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.436 7.328 -2.607 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.482 7.206 1.793 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.649 8.298 2.752 1.00 0.00 C ATOM 1114 C ARG A 69 -3.661 8.151 3.892 1.00 0.00 C ATOM 1115 O ARG A 69 -3.308 9.116 4.576 1.00 0.00 O ATOM 1116 CB ARG A 69 -6.073 8.280 3.288 1.00 0.00 C ATOM 1117 CG ARG A 69 -6.361 9.405 4.252 1.00 0.00 C ATOM 1118 CD ARG A 69 -7.420 9.004 5.258 1.00 0.00 C ATOM 1119 NE ARG A 69 -7.034 7.822 6.028 1.00 0.00 N ATOM 1120 CZ ARG A 69 -7.651 6.646 5.943 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -8.610 6.460 5.044 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -7.288 5.650 6.738 1.00 0.00 N ATOM 0 H ARG A 69 -5.340 6.690 1.600 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.460 9.249 2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.770 8.340 2.452 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.254 7.328 3.787 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.446 9.684 4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.693 10.284 3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.604 9.835 5.939 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.357 8.806 4.737 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.244 7.904 6.669 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.875 7.219 4.417 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.082 5.558 4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.536 5.785 7.414 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.760 4.748 6.674 1.00 0.00 H new ATOM 1136 N TYR A 70 -3.212 6.934 4.069 1.00 0.00 N ATOM 1137 CA TYR A 70 -2.198 6.633 5.050 1.00 0.00 C ATOM 1138 C TYR A 70 -0.820 7.111 4.579 1.00 0.00 C ATOM 1139 O TYR A 70 -0.191 7.932 5.238 1.00 0.00 O ATOM 1140 CB TYR A 70 -2.148 5.136 5.336 1.00 0.00 C ATOM 1141 CG TYR A 70 -0.825 4.724 5.869 1.00 0.00 C ATOM 1142 CD1 TYR A 70 -0.033 3.894 5.126 1.00 0.00 C ATOM 1143 CD2 TYR A 70 -0.341 5.215 7.074 1.00 0.00 C ATOM 1144 CE1 TYR A 70 1.209 3.549 5.548 1.00 0.00 C ATOM 1145 CE2 TYR A 70 0.911 4.868 7.520 1.00 0.00 C ATOM 1146 CZ TYR A 70 1.687 4.035 6.752 1.00 0.00 C ATOM 1147 OH TYR A 70 2.941 3.698 7.182 1.00 0.00 O ATOM 0 H TYR A 70 -3.537 6.125 3.539 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.460 7.162 5.966 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.927 4.876 6.053 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.360 4.583 4.421 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.402 3.507 4.188 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.955 5.877 7.667 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.823 2.896 4.946 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.280 5.245 8.462 1.00 0.00 H new ATOM 0 HH TYR A 70 3.328 3.035 6.573 1.00 0.00 H new ATOM 1157 N VAL A 71 -0.338 6.585 3.457 1.00 0.00 N ATOM 1158 CA VAL A 71 0.992 6.948 2.971 1.00 0.00 C ATOM 1159 C VAL A 71 1.049 8.413 2.656 1.00 0.00 C ATOM 1160 O VAL A 71 2.021 9.084 2.963 1.00 0.00 O ATOM 1161 CB VAL A 71 1.409 6.156 1.726 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.402 4.684 2.024 1.00 0.00 C ATOM 1163 CG2 VAL A 71 0.497 6.441 0.547 1.00 0.00 C ATOM 0 H VAL A 71 -0.839 5.915 2.873 1.00 0.00 H new ATOM 0 HA VAL A 71 1.689 6.702 3.772 1.00 0.00 H new ATOM 0 HB VAL A 71 2.417 6.473 1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.700 4.131 1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.102 4.473 2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.399 4.378 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.825 5.861 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.526 6.164 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.535 7.503 0.306 1.00 0.00 H new ATOM 1173 N THR A 72 -0.017 8.898 2.070 1.00 0.00 N ATOM 1174 CA THR A 72 -0.173 10.291 1.788 1.00 0.00 C ATOM 1175 C THR A 72 0.033 11.111 3.065 1.00 0.00 C ATOM 1176 O THR A 72 0.625 12.182 3.036 1.00 0.00 O ATOM 1177 CB THR A 72 -1.572 10.514 1.179 1.00 0.00 C ATOM 1178 OG1 THR A 72 -1.512 10.477 -0.251 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.210 11.806 1.652 1.00 0.00 C ATOM 0 H THR A 72 -0.807 8.324 1.774 1.00 0.00 H new ATOM 0 HA THR A 72 0.576 10.623 1.070 1.00 0.00 H new ATOM 0 HB THR A 72 -2.205 9.698 1.529 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.378 10.188 -0.607 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.193 11.915 1.194 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.315 11.784 2.737 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.581 12.649 1.366 1.00 0.00 H new ATOM 1187 N SER A 73 -0.389 10.561 4.197 1.00 0.00 N ATOM 1188 CA SER A 73 -0.256 11.255 5.462 1.00 0.00 C ATOM 1189 C SER A 73 1.203 11.253 5.916 1.00 0.00 C ATOM 1190 O SER A 73 1.656 12.171 6.594 1.00 0.00 O ATOM 1191 CB SER A 73 -1.156 10.608 6.515 1.00 0.00 C ATOM 1192 OG SER A 73 -0.510 9.538 7.187 1.00 0.00 O ATOM 0 H SER A 73 -0.824 9.640 4.260 1.00 0.00 H new ATOM 0 HA SER A 73 -0.571 12.291 5.333 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.461 11.361 7.242 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.064 10.240 6.038 1.00 0.00 H new ATOM 0 HG SER A 73 -0.260 8.847 6.538 1.00 0.00 H new ATOM 1198 N CYS A 74 1.936 10.216 5.524 1.00 0.00 N ATOM 1199 CA CYS A 74 3.340 10.090 5.885 1.00 0.00 C ATOM 1200 C CYS A 74 4.213 10.904 4.932 1.00 0.00 C ATOM 1201 O CYS A 74 5.137 11.605 5.348 1.00 0.00 O ATOM 1202 CB CYS A 74 3.749 8.615 5.863 1.00 0.00 C ATOM 1203 SG CYS A 74 5.455 8.300 6.380 1.00 0.00 S ATOM 0 H CYS A 74 1.578 9.449 4.954 1.00 0.00 H new ATOM 0 HA CYS A 74 3.483 10.481 6.892 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.077 8.055 6.513 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.612 8.228 4.853 1.00 0.00 H new ATOM 0 HG CYS A 74 6.158 9.385 6.241 1.00 0.00 H new ATOM 1209 N LEU A 75 3.888 10.810 3.655 1.00 0.00 N ATOM 1210 CA LEU A 75 4.660 11.441 2.587 1.00 0.00 C ATOM 1211 C LEU A 75 4.456 12.953 2.528 1.00 0.00 C ATOM 1212 O LEU A 75 5.407 13.694 2.276 1.00 0.00 O ATOM 1213 CB LEU A 75 4.280 10.800 1.255 1.00 0.00 C ATOM 1214 CG LEU A 75 4.338 9.280 1.270 1.00 0.00 C ATOM 1215 CD1 LEU A 75 3.713 8.708 0.007 1.00 0.00 C ATOM 1216 CD2 LEU A 75 5.766 8.793 1.432 1.00 0.00 C ATOM 0 H LEU A 75 3.076 10.291 3.322 1.00 0.00 H new ATOM 0 HA LEU A 75 5.718 11.280 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.272 11.114 0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.948 11.173 0.479 1.00 0.00 H new ATOM 0 HG LEU A 75 3.764 8.927 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.764 7.620 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.671 9.021 -0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.256 9.073 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.780 7.703 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.371 9.158 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.174 9.168 2.371 1.00 0.00 H new ATOM 1228 N ARG A 76 3.224 13.417 2.739 1.00 0.00 N ATOM 1229 CA ARG A 76 2.950 14.848 2.748 1.00 0.00 C ATOM 1230 C ARG A 76 3.592 15.522 3.960 1.00 0.00 C ATOM 1231 O ARG A 76 3.853 16.726 3.947 1.00 0.00 O ATOM 1232 CB ARG A 76 1.446 15.135 2.729 1.00 0.00 C ATOM 1233 CG ARG A 76 0.730 14.621 1.485 1.00 0.00 C ATOM 1234 CD ARG A 76 -0.704 15.123 1.404 1.00 0.00 C ATOM 1235 NE ARG A 76 -0.778 16.569 1.198 1.00 0.00 N ATOM 1236 CZ ARG A 76 -1.918 17.229 0.997 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -3.076 16.578 1.010 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -1.900 18.539 0.783 1.00 0.00 N ATOM 0 H ARG A 76 2.409 12.826 2.904 1.00 0.00 H new ATOM 0 HA ARG A 76 3.388 15.263 1.840 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.990 14.684 3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.291 16.211 2.806 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.276 14.937 0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.733 13.531 1.490 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.218 14.616 0.588 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.230 14.862 2.323 1.00 0.00 H new ATOM 0 HE ARG A 76 0.092 17.102 1.209 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.093 15.571 1.174 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.948 17.085 0.856 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.013 19.042 0.772 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.774 19.043 0.629 1.00 0.00 H new ATOM 1409 N TRP B 202 3.219 -5.249 -8.894 1.00 0.00 N ATOM 1410 CA TRP B 202 3.703 -4.833 -7.589 1.00 0.00 C ATOM 1411 C TRP B 202 3.953 -6.069 -6.726 1.00 0.00 C ATOM 1412 O TRP B 202 3.731 -6.076 -5.518 1.00 0.00 O ATOM 1413 CB TRP B 202 2.677 -3.897 -6.942 1.00 0.00 C ATOM 1414 CG TRP B 202 3.123 -3.278 -5.651 1.00 0.00 C ATOM 1415 CD1 TRP B 202 4.330 -2.700 -5.380 1.00 0.00 C ATOM 1416 CD2 TRP B 202 2.349 -3.167 -4.459 1.00 0.00 C ATOM 1417 NE1 TRP B 202 4.348 -2.228 -4.093 1.00 0.00 N ATOM 1418 CE2 TRP B 202 3.145 -2.505 -3.505 1.00 0.00 C ATOM 1419 CE3 TRP B 202 1.058 -3.561 -4.105 1.00 0.00 C ATOM 1420 CZ2 TRP B 202 2.691 -2.228 -2.223 1.00 0.00 C ATOM 1421 CZ3 TRP B 202 0.614 -3.286 -2.829 1.00 0.00 C ATOM 1422 CH2 TRP B 202 1.426 -2.626 -1.904 1.00 0.00 C ATOM 0 HA TRP B 202 4.643 -4.290 -7.688 1.00 0.00 H new ATOM 0 HB2 TRP B 202 2.436 -3.101 -7.647 1.00 0.00 H new ATOM 0 HB3 TRP B 202 1.758 -4.455 -6.764 1.00 0.00 H new ATOM 0 HD1 TRP B 202 5.151 -2.626 -6.078 1.00 0.00 H new ATOM 0 HE1 TRP B 202 5.130 -1.749 -3.647 1.00 0.00 H new ATOM 0 HE3 TRP B 202 0.421 -4.069 -4.814 1.00 0.00 H new ATOM 0 HZ2 TRP B 202 3.316 -1.717 -1.505 1.00 0.00 H new ATOM 0 HZ3 TRP B 202 -0.382 -3.587 -2.539 1.00 0.00 H new ATOM 0 HH2 TRP B 202 1.044 -2.426 -0.914 1.00 0.00 H new ATOM 1433 N THR B 203 4.421 -7.120 -7.374 1.00 0.00 N ATOM 1434 CA THR B 203 4.691 -8.376 -6.704 1.00 0.00 C ATOM 1435 C THR B 203 6.010 -8.321 -5.941 1.00 0.00 C ATOM 1436 O THR B 203 6.571 -7.238 -5.742 1.00 0.00 O ATOM 1437 CB THR B 203 4.697 -9.531 -7.717 1.00 0.00 C ATOM 1438 OG1 THR B 203 5.342 -9.116 -8.930 1.00 0.00 O ATOM 1439 CG2 THR B 203 3.277 -9.979 -8.016 1.00 0.00 C ATOM 0 H THR B 203 4.623 -7.126 -8.374 1.00 0.00 H new ATOM 0 HA THR B 203 3.896 -8.552 -5.980 1.00 0.00 H new ATOM 0 HB THR B 203 5.247 -10.369 -7.287 1.00 0.00 H new ATOM 0 HG1 THR B 203 5.343 -9.858 -9.570 1.00 0.00 H new ATOM 0 HG21 THR B 203 3.298 -10.798 -8.735 1.00 0.00 H new ATOM 0 HG22 THR B 203 2.801 -10.316 -7.096 1.00 0.00 H new ATOM 0 HG23 THR B 203 2.712 -9.145 -8.432 1.00 0.00 H new ATOM 1447 N LEU B 204 6.484 -9.492 -5.507 1.00 0.00 N ATOM 1448 CA LEU B 204 7.687 -9.614 -4.681 1.00 0.00 C ATOM 1449 C LEU B 204 8.828 -8.710 -5.149 1.00 0.00 C ATOM 1450 O LEU B 204 9.535 -8.139 -4.327 1.00 0.00 O ATOM 1451 CB LEU B 204 8.138 -11.086 -4.618 1.00 0.00 C ATOM 1452 CG LEU B 204 8.198 -11.838 -5.958 1.00 0.00 C ATOM 1453 CD1 LEU B 204 9.530 -11.619 -6.659 1.00 0.00 C ATOM 1454 CD2 LEU B 204 7.952 -13.323 -5.743 1.00 0.00 C ATOM 0 H LEU B 204 6.042 -10.386 -5.720 1.00 0.00 H new ATOM 0 HA LEU B 204 7.424 -9.275 -3.679 1.00 0.00 H new ATOM 0 HB2 LEU B 204 9.127 -11.122 -4.161 1.00 0.00 H new ATOM 0 HB3 LEU B 204 7.461 -11.623 -3.954 1.00 0.00 H new ATOM 0 HG LEU B 204 7.413 -11.438 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU B 204 9.539 -12.164 -7.603 1.00 0.00 H new ATOM 0 HD12 LEU B 204 9.668 -10.555 -6.853 1.00 0.00 H new ATOM 0 HD13 LEU B 204 10.339 -11.980 -6.024 1.00 0.00 H new ATOM 0 HD21 LEU B 204 7.998 -13.842 -6.701 1.00 0.00 H new ATOM 0 HD22 LEU B 204 8.714 -13.725 -5.076 1.00 0.00 H new ATOM 0 HD23 LEU B 204 6.967 -13.468 -5.298 1.00 0.00 H new ATOM 1466 N GLU B 205 8.982 -8.557 -6.459 1.00 0.00 N ATOM 1467 CA GLU B 205 10.038 -7.718 -7.010 1.00 0.00 C ATOM 1468 C GLU B 205 9.961 -6.295 -6.452 1.00 0.00 C ATOM 1469 O GLU B 205 10.794 -5.897 -5.634 1.00 0.00 O ATOM 1470 CB GLU B 205 9.954 -7.700 -8.538 1.00 0.00 C ATOM 1471 CG GLU B 205 11.016 -6.843 -9.206 1.00 0.00 C ATOM 1472 CD GLU B 205 10.968 -6.944 -10.713 1.00 0.00 C ATOM 1473 OE1 GLU B 205 11.873 -7.573 -11.300 1.00 0.00 O ATOM 1474 OE2 GLU B 205 10.018 -6.408 -11.321 1.00 0.00 O ATOM 0 H GLU B 205 8.389 -9.003 -7.159 1.00 0.00 H new ATOM 0 HA GLU B 205 10.998 -8.141 -6.714 1.00 0.00 H new ATOM 0 HB2 GLU B 205 10.040 -8.722 -8.908 1.00 0.00 H new ATOM 0 HB3 GLU B 205 8.970 -7.336 -8.833 1.00 0.00 H new ATOM 0 HG2 GLU B 205 10.881 -5.803 -8.909 1.00 0.00 H new ATOM 0 HG3 GLU B 205 12.001 -7.149 -8.854 1.00 0.00 H new ATOM 1481 N ARG B 206 8.942 -5.549 -6.860 1.00 0.00 N ATOM 1482 CA ARG B 206 8.822 -4.153 -6.462 1.00 0.00 C ATOM 1483 C ARG B 206 8.612 -4.022 -4.955 1.00 0.00 C ATOM 1484 O ARG B 206 9.403 -3.379 -4.269 1.00 0.00 O ATOM 1485 CB ARG B 206 7.683 -3.465 -7.222 1.00 0.00 C ATOM 1486 CG ARG B 206 7.497 -2.002 -6.837 1.00 0.00 C ATOM 1487 CD ARG B 206 6.447 -1.313 -7.698 1.00 0.00 C ATOM 1488 NE ARG B 206 6.877 -1.159 -9.083 1.00 0.00 N ATOM 1489 CZ ARG B 206 6.229 -0.425 -9.982 1.00 0.00 C ATOM 1490 NH1 ARG B 206 5.118 0.221 -9.646 1.00 0.00 N ATOM 1491 NH2 ARG B 206 6.688 -0.343 -11.223 1.00 0.00 N ATOM 0 H ARG B 206 8.191 -5.885 -7.463 1.00 0.00 H new ATOM 0 HA ARG B 206 9.758 -3.656 -6.717 1.00 0.00 H new ATOM 0 HB2 ARG B 206 7.879 -3.529 -8.292 1.00 0.00 H new ATOM 0 HB3 ARG B 206 6.754 -4.003 -7.035 1.00 0.00 H new ATOM 0 HG2 ARG B 206 7.205 -1.938 -5.789 1.00 0.00 H new ATOM 0 HG3 ARG B 206 8.447 -1.478 -6.936 1.00 0.00 H new ATOM 0 HD2 ARG B 206 5.522 -1.890 -7.670 1.00 0.00 H new ATOM 0 HD3 ARG B 206 6.224 -0.332 -7.279 1.00 0.00 H new ATOM 0 HE ARG B 206 7.725 -1.643 -9.379 1.00 0.00 H new ATOM 0 HH11 ARG B 206 4.758 0.155 -8.694 1.00 0.00 H new ATOM 0 HH12 ARG B 206 4.625 0.783 -10.340 1.00 0.00 H new ATOM 0 HH21 ARG B 206 7.537 -0.843 -11.487 1.00 0.00 H new ATOM 0 HH22 ARG B 206 6.192 0.220 -11.914 1.00 0.00 H new ATOM 1505 N LEU B 207 7.567 -4.656 -4.436 1.00 0.00 N ATOM 1506 CA LEU B 207 7.212 -4.496 -3.030 1.00 0.00 C ATOM 1507 C LEU B 207 8.288 -5.048 -2.108 1.00 0.00 C ATOM 1508 O LEU B 207 8.909 -4.298 -1.364 1.00 0.00 O ATOM 1509 CB LEU B 207 5.874 -5.169 -2.720 1.00 0.00 C ATOM 1510 CG LEU B 207 5.473 -5.187 -1.235 1.00 0.00 C ATOM 1511 CD1 LEU B 207 5.505 -3.790 -0.631 1.00 0.00 C ATOM 1512 CD2 LEU B 207 4.095 -5.788 -1.086 1.00 0.00 C ATOM 0 H LEU B 207 6.955 -5.280 -4.962 1.00 0.00 H new ATOM 0 HA LEU B 207 7.123 -3.425 -2.848 1.00 0.00 H new ATOM 0 HB2 LEU B 207 5.092 -4.661 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU B 207 5.911 -6.197 -3.081 1.00 0.00 H new ATOM 0 HG LEU B 207 6.197 -5.797 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU B 207 5.216 -3.841 0.419 1.00 0.00 H new ATOM 0 HD12 LEU B 207 6.513 -3.382 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU B 207 4.809 -3.145 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU B 207 3.815 -5.799 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU B 207 3.375 -5.192 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU B 207 4.099 -6.808 -1.471 1.00 0.00 H new ATOM 1524 N LYS B 208 8.524 -6.350 -2.180 1.00 0.00 N ATOM 1525 CA LYS B 208 9.373 -7.021 -1.205 1.00 0.00 C ATOM 1526 C LYS B 208 10.800 -6.482 -1.241 1.00 0.00 C ATOM 1527 O LYS B 208 11.432 -6.323 -0.195 1.00 0.00 O ATOM 1528 CB LYS B 208 9.362 -8.532 -1.445 1.00 0.00 C ATOM 1529 CG LYS B 208 10.197 -9.323 -0.453 1.00 0.00 C ATOM 1530 CD LYS B 208 10.160 -10.812 -0.753 1.00 0.00 C ATOM 1531 CE LYS B 208 8.749 -11.368 -0.660 1.00 0.00 C ATOM 1532 NZ LYS B 208 8.731 -12.851 -0.738 1.00 0.00 N ATOM 0 H LYS B 208 8.141 -6.962 -2.901 1.00 0.00 H new ATOM 0 HA LYS B 208 8.970 -6.818 -0.213 1.00 0.00 H new ATOM 0 HB2 LYS B 208 8.333 -8.888 -1.403 1.00 0.00 H new ATOM 0 HB3 LYS B 208 9.728 -8.732 -2.452 1.00 0.00 H new ATOM 0 HG2 LYS B 208 11.228 -8.971 -0.482 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.828 -9.145 0.557 1.00 0.00 H new ATOM 0 HD2 LYS B 208 10.557 -10.992 -1.752 1.00 0.00 H new ATOM 0 HD3 LYS B 208 10.807 -11.341 -0.053 1.00 0.00 H new ATOM 0 HE2 LYS B 208 8.294 -11.048 0.278 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.142 -10.955 -1.466 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 7.853 -13.210 -0.312 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 8.779 -13.147 -1.734 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 9.549 -13.236 -0.223 1.00 0.00 H new ATOM 1546 N ARG B 209 11.298 -6.161 -2.431 1.00 0.00 N ATOM 1547 CA ARG B 209 12.672 -5.701 -2.559 1.00 0.00 C ATOM 1548 C ARG B 209 12.814 -4.212 -2.237 1.00 0.00 C ATOM 1549 O ARG B 209 13.927 -3.717 -2.081 1.00 0.00 O ATOM 1550 CB ARG B 209 13.231 -6.017 -3.948 1.00 0.00 C ATOM 1551 CG ARG B 209 13.693 -7.460 -4.105 1.00 0.00 C ATOM 1552 CD ARG B 209 12.538 -8.456 -4.103 1.00 0.00 C ATOM 1553 NE ARG B 209 12.843 -9.631 -3.290 1.00 0.00 N ATOM 1554 CZ ARG B 209 12.704 -10.888 -3.705 1.00 0.00 C ATOM 1555 NH1 ARG B 209 12.328 -11.145 -4.948 1.00 0.00 N ATOM 1556 NH2 ARG B 209 12.958 -11.892 -2.878 1.00 0.00 N ATOM 0 H ARG B 209 10.778 -6.210 -3.307 1.00 0.00 H new ATOM 0 HA ARG B 209 13.261 -6.246 -1.821 1.00 0.00 H new ATOM 0 HB2 ARG B 209 12.466 -5.806 -4.695 1.00 0.00 H new ATOM 0 HB3 ARG B 209 14.069 -5.351 -4.153 1.00 0.00 H new ATOM 0 HG2 ARG B 209 14.250 -7.559 -5.037 1.00 0.00 H new ATOM 0 HG3 ARG B 209 14.380 -7.706 -3.296 1.00 0.00 H new ATOM 0 HD2 ARG B 209 11.640 -7.971 -3.721 1.00 0.00 H new ATOM 0 HD3 ARG B 209 12.322 -8.766 -5.125 1.00 0.00 H new ATOM 0 HE ARG B 209 13.185 -9.478 -2.341 1.00 0.00 H new ATOM 0 HH11 ARG B 209 12.143 -10.378 -5.594 1.00 0.00 H new ATOM 0 HH12 ARG B 209 12.223 -12.110 -5.260 1.00 0.00 H new ATOM 0 HH21 ARG B 209 13.260 -11.702 -1.923 1.00 0.00 H new ATOM 0 HH22 ARG B 209 12.851 -12.855 -3.197 1.00 0.00 H new ATOM 1570 N LYS B 210 11.700 -3.492 -2.157 1.00 0.00 N ATOM 1571 CA LYS B 210 11.721 -2.119 -1.645 1.00 0.00 C ATOM 1572 C LYS B 210 11.343 -2.101 -0.166 1.00 0.00 C ATOM 1573 O LYS B 210 11.553 -1.113 0.536 1.00 0.00 O ATOM 1574 CB LYS B 210 10.766 -1.219 -2.436 1.00 0.00 C ATOM 1575 CG LYS B 210 11.232 -0.912 -3.853 1.00 0.00 C ATOM 1576 CD LYS B 210 12.505 -0.078 -3.856 1.00 0.00 C ATOM 1577 CE LYS B 210 12.960 0.249 -5.270 1.00 0.00 C ATOM 1578 NZ LYS B 210 13.240 -0.975 -6.064 1.00 0.00 N ATOM 0 H LYS B 210 10.778 -3.828 -2.436 1.00 0.00 H new ATOM 0 HA LYS B 210 12.733 -1.733 -1.763 1.00 0.00 H new ATOM 0 HB2 LYS B 210 9.788 -1.697 -2.482 1.00 0.00 H new ATOM 0 HB3 LYS B 210 10.637 -0.281 -1.896 1.00 0.00 H new ATOM 0 HG2 LYS B 210 11.406 -1.845 -4.389 1.00 0.00 H new ATOM 0 HG3 LYS B 210 10.446 -0.379 -4.388 1.00 0.00 H new ATOM 0 HD2 LYS B 210 12.335 0.847 -3.305 1.00 0.00 H new ATOM 0 HD3 LYS B 210 13.295 -0.619 -3.335 1.00 0.00 H new ATOM 0 HE2 LYS B 210 12.191 0.837 -5.771 1.00 0.00 H new ATOM 0 HE3 LYS B 210 13.857 0.867 -5.228 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 13.736 -0.714 -6.940 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 13.836 -1.621 -5.508 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 12.344 -1.448 -6.300 1.00 0.00 H new ATOM 1592 N TYR B 211 10.782 -3.209 0.290 1.00 0.00 N ATOM 1593 CA TYR B 211 10.302 -3.343 1.658 1.00 0.00 C ATOM 1594 C TYR B 211 11.410 -3.860 2.569 1.00 0.00 C ATOM 1595 O TYR B 211 11.764 -3.223 3.562 1.00 0.00 O ATOM 1596 CB TYR B 211 9.110 -4.308 1.667 1.00 0.00 C ATOM 1597 CG TYR B 211 8.408 -4.475 2.997 1.00 0.00 C ATOM 1598 CD1 TYR B 211 7.111 -4.021 3.157 1.00 0.00 C ATOM 1599 CD2 TYR B 211 9.024 -5.097 4.079 1.00 0.00 C ATOM 1600 CE1 TYR B 211 6.444 -4.181 4.356 1.00 0.00 C ATOM 1601 CE2 TYR B 211 8.365 -5.256 5.283 1.00 0.00 C ATOM 1602 CZ TYR B 211 7.074 -4.795 5.416 1.00 0.00 C ATOM 1603 OH TYR B 211 6.403 -4.955 6.610 1.00 0.00 O ATOM 0 H TYR B 211 10.646 -4.044 -0.279 1.00 0.00 H new ATOM 0 HA TYR B 211 9.991 -2.368 2.032 1.00 0.00 H new ATOM 0 HB2 TYR B 211 8.381 -3.962 0.934 1.00 0.00 H new ATOM 0 HB3 TYR B 211 9.456 -5.287 1.335 1.00 0.00 H new ATOM 0 HD1 TYR B 211 6.612 -3.534 2.332 1.00 0.00 H new ATOM 0 HD2 TYR B 211 10.035 -5.462 3.976 1.00 0.00 H new ATOM 0 HE1 TYR B 211 5.430 -3.825 4.462 1.00 0.00 H new ATOM 0 HE2 TYR B 211 8.859 -5.738 6.114 1.00 0.00 H new ATOM 0 HH TYR B 211 6.986 -5.407 7.255 1.00 0.00 H new