USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 521 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 Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 149:sc= 0.0184 USER MOD Single : A 13 MET CE :methyl -121:sc= 0 (180deg=-0.149) USER MOD Single : A 17 ASN : amide:sc= -0.0102 K(o=-0.01,f=-1.1) USER MOD Single : A 18 SER OG : rot -167:sc= 0.338 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -122:sc= 0.278 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0.141 X(o=0.14,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00564 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -152:sc= 0 (180deg=-0.0364) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= -0.0247 (180deg=-0.228) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 174:sc=-0.00199 (180deg=-0.0468) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= -0.0028 (180deg=-0.0862) USER MOD ----------------------------------------------------------------- ATOM 125 N PRO A 8 -11.843 0.586 4.875 1.00 0.00 N ATOM 126 CA PRO A 8 -11.200 -0.716 4.887 1.00 0.00 C ATOM 127 C PRO A 8 -9.721 -0.586 4.601 1.00 0.00 C ATOM 128 O PRO A 8 -9.340 -0.472 3.437 1.00 0.00 O ATOM 129 CB PRO A 8 -11.922 -1.498 3.777 1.00 0.00 C ATOM 130 CG PRO A 8 -12.391 -0.433 2.779 1.00 0.00 C ATOM 131 CD PRO A 8 -12.645 0.790 3.666 1.00 0.00 C ATOM 0 HA PRO A 8 -11.269 -1.215 5.854 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -11.254 -2.216 3.302 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -12.765 -2.062 4.176 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.634 -0.231 2.021 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.294 -0.744 2.253 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.355 1.709 3.156 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.703 0.881 3.911 1.00 0.00 H new ATOM 139 N LEU A 9 -8.863 -0.635 5.648 1.00 0.00 N ATOM 140 CA LEU A 9 -7.429 -0.559 5.485 1.00 0.00 C ATOM 141 C LEU A 9 -6.913 -1.919 5.094 1.00 0.00 C ATOM 142 O LEU A 9 -7.560 -2.935 5.344 1.00 0.00 O ATOM 143 CB LEU A 9 -6.659 -0.121 6.759 1.00 0.00 C ATOM 144 CG LEU A 9 -7.072 1.265 7.312 1.00 0.00 C ATOM 145 CD1 LEU A 9 -8.131 1.168 8.429 1.00 0.00 C ATOM 146 CD2 LEU A 9 -5.845 2.071 7.786 1.00 0.00 C ATOM 0 H LEU A 9 -9.165 -0.728 6.618 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.256 0.201 4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.813 -0.869 7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.592 -0.107 6.537 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.534 1.801 6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.383 2.169 8.779 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.027 0.683 8.040 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.733 0.583 9.258 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.171 3.038 8.168 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.333 1.523 8.576 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.164 2.222 6.949 1.00 0.00 H new ATOM 158 N SER A 10 -5.712 -1.953 4.467 1.00 0.00 N ATOM 159 CA SER A 10 -5.046 -3.174 4.082 1.00 0.00 C ATOM 160 C SER A 10 -4.159 -3.560 5.241 1.00 0.00 C ATOM 161 O SER A 10 -3.930 -2.766 6.150 1.00 0.00 O ATOM 162 CB SER A 10 -4.223 -3.007 2.773 1.00 0.00 C ATOM 163 OG SER A 10 -3.771 -4.251 2.247 1.00 0.00 O ATOM 0 H SER A 10 -5.191 -1.111 4.221 1.00 0.00 H new ATOM 0 HA SER A 10 -5.777 -3.953 3.867 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.835 -2.502 2.026 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.364 -2.366 2.968 1.00 0.00 H new ATOM 0 HG SER A 10 -3.261 -4.093 1.425 1.00 0.00 H new ATOM 169 N ALA A 11 -3.647 -4.812 5.232 1.00 0.00 N ATOM 170 CA ALA A 11 -2.892 -5.395 6.317 1.00 0.00 C ATOM 171 C ALA A 11 -1.521 -4.786 6.410 1.00 0.00 C ATOM 172 O ALA A 11 -1.028 -4.497 7.500 1.00 0.00 O ATOM 173 CB ALA A 11 -2.725 -6.909 6.127 1.00 0.00 C ATOM 0 H ALA A 11 -3.762 -5.445 4.440 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.452 -5.195 7.231 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.153 -7.319 6.959 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.706 -7.382 6.093 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.197 -7.102 5.193 1.00 0.00 H new ATOM 179 N TYR A 12 -0.887 -4.542 5.240 1.00 0.00 N ATOM 180 CA TYR A 12 0.410 -3.915 5.135 1.00 0.00 C ATOM 181 C TYR A 12 0.303 -2.472 5.571 1.00 0.00 C ATOM 182 O TYR A 12 1.214 -1.940 6.199 1.00 0.00 O ATOM 183 CB TYR A 12 0.951 -3.997 3.675 1.00 0.00 C ATOM 184 CG TYR A 12 2.337 -3.414 3.488 1.00 0.00 C ATOM 185 CD1 TYR A 12 3.380 -3.687 4.394 1.00 0.00 C ATOM 186 CD2 TYR A 12 2.605 -2.582 2.386 1.00 0.00 C ATOM 187 CE1 TYR A 12 4.654 -3.141 4.205 1.00 0.00 C ATOM 188 CE2 TYR A 12 3.881 -2.036 2.193 1.00 0.00 C ATOM 189 CZ TYR A 12 4.910 -2.326 3.098 1.00 0.00 C ATOM 190 OH TYR A 12 6.208 -1.810 2.905 1.00 0.00 O ATOM 0 H TYR A 12 -1.288 -4.788 4.335 1.00 0.00 H new ATOM 0 HA TYR A 12 1.110 -4.442 5.783 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.964 -5.041 3.363 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.259 -3.476 3.014 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.194 -4.326 5.245 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.818 -2.361 1.680 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.441 -3.349 4.915 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.071 -1.392 1.347 1.00 0.00 H new ATOM 0 HH TYR A 12 6.379 -1.705 1.946 1.00 0.00 H new ATOM 200 N MET A 13 -0.846 -1.826 5.266 1.00 0.00 N ATOM 201 CA MET A 13 -1.086 -0.423 5.496 1.00 0.00 C ATOM 202 C MET A 13 -1.194 -0.109 6.969 1.00 0.00 C ATOM 203 O MET A 13 -0.716 0.927 7.426 1.00 0.00 O ATOM 204 CB MET A 13 -2.378 0.035 4.778 1.00 0.00 C ATOM 205 CG MET A 13 -2.373 1.519 4.377 1.00 0.00 C ATOM 206 SD MET A 13 -1.148 1.939 3.092 1.00 0.00 S ATOM 207 CE MET A 13 -1.976 1.179 1.659 1.00 0.00 C ATOM 0 H MET A 13 -1.642 -2.301 4.841 1.00 0.00 H new ATOM 0 HA MET A 13 -0.232 0.119 5.090 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.521 -0.573 3.884 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.231 -0.152 5.430 1.00 0.00 H new ATOM 0 HG2 MET A 13 -3.366 1.791 4.020 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.176 2.123 5.263 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.321 0.428 1.216 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.903 0.706 1.983 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.200 1.947 0.919 1.00 0.00 H new ATOM 217 N LEU A 14 -1.803 -1.035 7.750 1.00 0.00 N ATOM 218 CA LEU A 14 -1.968 -0.932 9.185 1.00 0.00 C ATOM 219 C LEU A 14 -0.635 -1.018 9.885 1.00 0.00 C ATOM 220 O LEU A 14 -0.398 -0.321 10.872 1.00 0.00 O ATOM 221 CB LEU A 14 -2.843 -2.079 9.745 1.00 0.00 C ATOM 222 CG LEU A 14 -4.343 -1.976 9.388 1.00 0.00 C ATOM 223 CD1 LEU A 14 -5.043 -3.345 9.508 1.00 0.00 C ATOM 224 CD2 LEU A 14 -5.058 -0.914 10.244 1.00 0.00 C ATOM 0 H LEU A 14 -2.198 -1.894 7.367 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.447 0.030 9.368 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.458 -3.028 9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.742 -2.099 10.830 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.406 -1.657 8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.097 -3.239 9.250 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.573 -4.055 8.827 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.955 -3.710 10.531 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.111 -0.870 9.965 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.973 -1.179 11.298 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.597 0.059 10.076 1.00 0.00 H new ATOM 236 N TRP A 15 0.273 -1.878 9.367 1.00 0.00 N ATOM 237 CA TRP A 15 1.584 -2.095 9.926 1.00 0.00 C ATOM 238 C TRP A 15 2.469 -0.890 9.683 1.00 0.00 C ATOM 239 O TRP A 15 3.274 -0.536 10.541 1.00 0.00 O ATOM 240 CB TRP A 15 2.250 -3.379 9.362 1.00 0.00 C ATOM 241 CG TRP A 15 3.631 -3.675 9.926 1.00 0.00 C ATOM 242 CD1 TRP A 15 3.984 -4.206 11.135 1.00 0.00 C ATOM 243 CD2 TRP A 15 4.849 -3.239 9.301 1.00 0.00 C ATOM 244 NE1 TRP A 15 5.349 -4.147 11.301 1.00 0.00 N ATOM 245 CE2 TRP A 15 5.900 -3.537 10.194 1.00 0.00 C ATOM 246 CE3 TRP A 15 5.091 -2.599 8.089 1.00 0.00 C ATOM 247 CZ2 TRP A 15 7.212 -3.192 9.892 1.00 0.00 C ATOM 248 CZ3 TRP A 15 6.410 -2.235 7.794 1.00 0.00 C ATOM 249 CH2 TRP A 15 7.453 -2.520 8.685 1.00 0.00 C ATOM 0 H TRP A 15 0.090 -2.439 8.535 1.00 0.00 H new ATOM 0 HA TRP A 15 1.462 -2.235 11.000 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.599 -4.229 9.565 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.326 -3.287 8.279 1.00 0.00 H new ATOM 0 HD1 TRP A 15 3.291 -4.613 11.856 1.00 0.00 H new ATOM 0 HE1 TRP A 15 5.866 -4.496 12.108 1.00 0.00 H new ATOM 0 HE3 TRP A 15 4.287 -2.390 7.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 8.021 -3.434 10.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.627 -1.727 6.866 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.460 -2.217 8.438 1.00 0.00 H new ATOM 260 N LEU A 16 2.322 -0.217 8.514 1.00 0.00 N ATOM 261 CA LEU A 16 3.100 0.952 8.153 1.00 0.00 C ATOM 262 C LEU A 16 2.820 2.104 9.081 1.00 0.00 C ATOM 263 O LEU A 16 3.734 2.846 9.428 1.00 0.00 O ATOM 264 CB LEU A 16 2.808 1.459 6.717 1.00 0.00 C ATOM 265 CG LEU A 16 3.381 0.576 5.585 1.00 0.00 C ATOM 266 CD1 LEU A 16 2.779 0.982 4.225 1.00 0.00 C ATOM 267 CD2 LEU A 16 4.919 0.623 5.530 1.00 0.00 C ATOM 0 H LEU A 16 1.646 -0.490 7.800 1.00 0.00 H new ATOM 0 HA LEU A 16 4.138 0.626 8.222 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.728 1.535 6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.214 2.465 6.613 1.00 0.00 H new ATOM 0 HG LEU A 16 3.098 -0.453 5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.194 0.350 3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.696 0.859 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.020 2.024 4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.274 -0.013 4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.246 1.648 5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.328 0.267 6.476 1.00 0.00 H new ATOM 279 N ASN A 17 1.544 2.266 9.503 1.00 0.00 N ATOM 280 CA ASN A 17 1.101 3.372 10.324 1.00 0.00 C ATOM 281 C ASN A 17 1.559 3.204 11.749 1.00 0.00 C ATOM 282 O ASN A 17 1.916 4.183 12.403 1.00 0.00 O ATOM 283 CB ASN A 17 -0.444 3.513 10.354 1.00 0.00 C ATOM 284 CG ASN A 17 -0.975 3.895 8.963 1.00 0.00 C ATOM 285 OD1 ASN A 17 -0.289 4.563 8.181 1.00 0.00 O ATOM 286 ND2 ASN A 17 -2.240 3.468 8.667 1.00 0.00 N ATOM 0 H ASN A 17 0.797 1.612 9.269 1.00 0.00 H new ATOM 0 HA ASN A 17 1.538 4.263 9.873 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.895 2.575 10.677 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.732 4.272 11.081 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.658 3.699 7.766 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.765 2.919 9.347 1.00 0.00 H new ATOM 293 N SER A 18 1.559 1.952 12.262 1.00 0.00 N ATOM 294 CA SER A 18 1.878 1.659 13.642 1.00 0.00 C ATOM 295 C SER A 18 3.371 1.692 13.873 1.00 0.00 C ATOM 296 O SER A 18 3.830 2.174 14.908 1.00 0.00 O ATOM 297 CB SER A 18 1.288 0.304 14.117 1.00 0.00 C ATOM 298 OG SER A 18 1.588 -0.764 13.226 1.00 0.00 O ATOM 0 H SER A 18 1.333 1.124 11.710 1.00 0.00 H new ATOM 0 HA SER A 18 1.411 2.442 14.240 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.680 0.068 15.107 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.207 0.397 14.216 1.00 0.00 H new ATOM 0 HG SER A 18 1.030 -1.539 13.445 1.00 0.00 H new ATOM 304 N ALA A 19 4.166 1.195 12.897 1.00 0.00 N ATOM 305 CA ALA A 19 5.605 1.099 13.003 1.00 0.00 C ATOM 306 C ALA A 19 6.279 2.393 12.618 1.00 0.00 C ATOM 307 O ALA A 19 7.500 2.501 12.714 1.00 0.00 O ATOM 308 CB ALA A 19 6.165 -0.002 12.080 1.00 0.00 C ATOM 0 H ALA A 19 3.802 0.850 12.009 1.00 0.00 H new ATOM 0 HA ALA A 19 5.814 0.863 14.046 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.249 -0.047 12.184 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.733 -0.964 12.357 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.909 0.226 11.045 1.00 0.00 H new ATOM 314 N ARG A 20 5.490 3.404 12.179 1.00 0.00 N ATOM 315 CA ARG A 20 5.934 4.629 11.551 1.00 0.00 C ATOM 316 C ARG A 20 6.888 5.439 12.389 1.00 0.00 C ATOM 317 O ARG A 20 7.852 5.992 11.864 1.00 0.00 O ATOM 318 CB ARG A 20 4.726 5.528 11.192 1.00 0.00 C ATOM 319 CG ARG A 20 5.039 6.665 10.204 1.00 0.00 C ATOM 320 CD ARG A 20 3.778 7.291 9.583 1.00 0.00 C ATOM 321 NE ARG A 20 2.898 7.841 10.672 1.00 0.00 N ATOM 322 CZ ARG A 20 2.949 9.137 11.111 1.00 0.00 C ATOM 323 NH1 ARG A 20 3.836 10.030 10.583 1.00 0.00 N ATOM 324 NH2 ARG A 20 2.092 9.541 12.096 1.00 0.00 N ATOM 0 H ARG A 20 4.475 3.364 12.268 1.00 0.00 H new ATOM 0 HA ARG A 20 6.469 4.309 10.657 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.940 4.904 10.768 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.329 5.962 12.110 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.606 7.440 10.720 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.676 6.281 9.408 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.057 8.086 8.891 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.235 6.543 9.006 1.00 0.00 H new ATOM 0 HE ARG A 20 2.224 7.212 11.109 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.478 9.737 9.847 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.857 10.991 10.925 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.425 8.880 12.495 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.119 10.504 12.432 1.00 0.00 H new ATOM 338 N GLU A 21 6.638 5.505 13.721 1.00 0.00 N ATOM 339 CA GLU A 21 7.375 6.313 14.669 1.00 0.00 C ATOM 340 C GLU A 21 8.810 5.854 14.759 1.00 0.00 C ATOM 341 O GLU A 21 9.734 6.664 14.739 1.00 0.00 O ATOM 342 CB GLU A 21 6.716 6.270 16.075 1.00 0.00 C ATOM 343 CG GLU A 21 7.009 7.467 17.010 1.00 0.00 C ATOM 344 CD GLU A 21 8.440 7.472 17.552 1.00 0.00 C ATOM 345 OE1 GLU A 21 8.868 6.430 18.115 1.00 0.00 O ATOM 346 OE2 GLU A 21 9.119 8.526 17.421 1.00 0.00 O ATOM 0 H GLU A 21 5.887 4.971 14.159 1.00 0.00 H new ATOM 0 HA GLU A 21 7.355 7.342 14.311 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.636 6.195 15.944 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.040 5.358 16.576 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.829 8.396 16.468 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.311 7.446 17.847 1.00 0.00 H new ATOM 353 N SER A 22 9.018 4.519 14.817 1.00 0.00 N ATOM 354 CA SER A 22 10.317 3.905 14.968 1.00 0.00 C ATOM 355 C SER A 22 11.153 4.076 13.725 1.00 0.00 C ATOM 356 O SER A 22 12.368 4.241 13.807 1.00 0.00 O ATOM 357 CB SER A 22 10.209 2.391 15.257 1.00 0.00 C ATOM 358 OG SER A 22 9.485 2.164 16.460 1.00 0.00 O ATOM 0 H SER A 22 8.258 3.841 14.757 1.00 0.00 H new ATOM 0 HA SER A 22 10.789 4.407 15.812 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.711 1.891 14.426 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.206 1.958 15.338 1.00 0.00 H new ATOM 0 HG SER A 22 9.424 1.200 16.628 1.00 0.00 H new ATOM 364 N ILE A 23 10.505 4.051 12.537 1.00 0.00 N ATOM 365 CA ILE A 23 11.163 4.092 11.250 1.00 0.00 C ATOM 366 C ILE A 23 11.696 5.485 10.990 1.00 0.00 C ATOM 367 O ILE A 23 12.816 5.626 10.500 1.00 0.00 O ATOM 368 CB ILE A 23 10.241 3.608 10.128 1.00 0.00 C ATOM 369 CG1 ILE A 23 9.870 2.120 10.376 1.00 0.00 C ATOM 370 CG2 ILE A 23 10.908 3.784 8.743 1.00 0.00 C ATOM 371 CD1 ILE A 23 8.776 1.577 9.449 1.00 0.00 C ATOM 0 H ILE A 23 9.489 4.001 12.466 1.00 0.00 H new ATOM 0 HA ILE A 23 12.007 3.403 11.268 1.00 0.00 H new ATOM 0 HB ILE A 23 9.333 4.211 10.131 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.766 1.510 10.257 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.542 2.007 11.409 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.230 3.432 7.965 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.133 4.838 8.579 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.832 3.206 8.708 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.580 0.533 9.691 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.864 2.158 9.583 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.106 1.654 8.413 1.00 0.00 H new ATOM 383 N LYS A 24 10.925 6.549 11.334 1.00 0.00 N ATOM 384 CA LYS A 24 11.298 7.921 11.037 1.00 0.00 C ATOM 385 C LYS A 24 12.340 8.470 11.979 1.00 0.00 C ATOM 386 O LYS A 24 12.853 9.566 11.759 1.00 0.00 O ATOM 387 CB LYS A 24 10.085 8.890 10.948 1.00 0.00 C ATOM 388 CG LYS A 24 9.206 9.048 12.207 1.00 0.00 C ATOM 389 CD LYS A 24 9.726 10.024 13.279 1.00 0.00 C ATOM 390 CE LYS A 24 8.787 10.115 14.489 1.00 0.00 C ATOM 391 NZ LYS A 24 9.376 10.936 15.573 1.00 0.00 N ATOM 0 H LYS A 24 10.034 6.461 11.823 1.00 0.00 H new ATOM 0 HA LYS A 24 11.743 7.866 10.044 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.461 9.876 10.674 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.446 8.555 10.131 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.215 9.378 11.894 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.085 8.067 12.666 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.713 9.703 13.611 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.845 11.014 12.839 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.835 10.547 14.180 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.576 9.113 14.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.443 10.368 16.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.326 11.252 15.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.773 11.765 15.747 1.00 0.00 H new ATOM 405 N ARG A 25 12.690 7.714 13.045 1.00 0.00 N ATOM 406 CA ARG A 25 13.753 8.070 13.955 1.00 0.00 C ATOM 407 C ARG A 25 15.064 7.695 13.328 1.00 0.00 C ATOM 408 O ARG A 25 15.976 8.515 13.239 1.00 0.00 O ATOM 409 CB ARG A 25 13.658 7.316 15.299 1.00 0.00 C ATOM 410 CG ARG A 25 12.547 7.845 16.219 1.00 0.00 C ATOM 411 CD ARG A 25 12.229 6.912 17.399 1.00 0.00 C ATOM 412 NE ARG A 25 13.508 6.593 18.128 1.00 0.00 N ATOM 413 CZ ARG A 25 13.692 6.752 19.475 1.00 0.00 C ATOM 414 NH1 ARG A 25 12.693 7.220 20.278 1.00 0.00 N ATOM 415 NH2 ARG A 25 14.904 6.433 20.020 1.00 0.00 N ATOM 0 H ARG A 25 12.226 6.837 13.282 1.00 0.00 H new ATOM 0 HA ARG A 25 13.671 9.140 14.148 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.483 6.258 15.102 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.614 7.390 15.817 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.841 8.820 16.607 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.641 7.996 15.632 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.519 7.388 18.075 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.762 5.995 17.039 1.00 0.00 H new ATOM 0 HE ARG A 25 14.290 6.234 17.581 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.786 7.459 19.877 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.853 7.330 21.279 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.654 6.082 19.425 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.058 6.545 21.022 1.00 0.00 H new ATOM 429 N GLU A 26 15.176 6.420 12.890 1.00 0.00 N ATOM 430 CA GLU A 26 16.416 5.840 12.439 1.00 0.00 C ATOM 431 C GLU A 26 16.749 6.324 11.054 1.00 0.00 C ATOM 432 O GLU A 26 17.898 6.655 10.768 1.00 0.00 O ATOM 433 CB GLU A 26 16.370 4.293 12.440 1.00 0.00 C ATOM 434 CG GLU A 26 15.910 3.678 13.780 1.00 0.00 C ATOM 435 CD GLU A 26 16.767 4.175 14.945 1.00 0.00 C ATOM 436 OE1 GLU A 26 18.000 3.916 14.925 1.00 0.00 O ATOM 437 OE2 GLU A 26 16.199 4.820 15.868 1.00 0.00 O ATOM 0 H GLU A 26 14.386 5.776 12.848 1.00 0.00 H new ATOM 0 HA GLU A 26 17.188 6.158 13.140 1.00 0.00 H new ATOM 0 HB2 GLU A 26 15.698 3.959 11.649 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.361 3.910 12.198 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.866 3.933 13.960 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.967 2.591 13.722 1.00 0.00 H new ATOM 444 N ASN A 27 15.731 6.394 10.165 1.00 0.00 N ATOM 445 CA ASN A 27 15.896 6.883 8.816 1.00 0.00 C ATOM 446 C ASN A 27 15.599 8.366 8.871 1.00 0.00 C ATOM 447 O ASN A 27 14.595 8.725 9.483 1.00 0.00 O ATOM 448 CB ASN A 27 14.923 6.241 7.799 1.00 0.00 C ATOM 449 CG ASN A 27 15.226 4.745 7.643 1.00 0.00 C ATOM 450 OD1 ASN A 27 16.057 4.359 6.813 1.00 0.00 O ATOM 451 ND2 ASN A 27 14.530 3.895 8.457 1.00 0.00 N ATOM 0 H ASN A 27 14.777 6.107 10.384 1.00 0.00 H new ATOM 0 HA ASN A 27 16.904 6.640 8.480 1.00 0.00 H new ATOM 0 HB2 ASN A 27 13.895 6.378 8.133 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.014 6.740 6.834 1.00 0.00 H new ATOM 0 HD21 ASN A 27 14.686 2.889 8.396 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.855 4.267 9.125 1.00 0.00 H new ATOM 458 N PRO A 28 16.409 9.261 8.307 1.00 0.00 N ATOM 459 CA PRO A 28 16.369 10.681 8.630 1.00 0.00 C ATOM 460 C PRO A 28 15.267 11.416 7.893 1.00 0.00 C ATOM 461 O PRO A 28 15.508 11.906 6.790 1.00 0.00 O ATOM 462 CB PRO A 28 17.754 11.194 8.193 1.00 0.00 C ATOM 463 CG PRO A 28 18.184 10.247 7.066 1.00 0.00 C ATOM 464 CD PRO A 28 17.585 8.913 7.507 1.00 0.00 C ATOM 0 HA PRO A 28 16.156 10.848 9.686 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.702 12.226 7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 28 18.463 11.172 9.020 1.00 0.00 H new ATOM 0 HG2 PRO A 28 17.796 10.566 6.098 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.269 10.194 6.973 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.309 8.303 6.647 1.00 0.00 H new ATOM 0 HD3 PRO A 28 18.301 8.335 8.091 1.00 0.00 H new ATOM 472 N GLY A 29 14.059 11.534 8.498 1.00 0.00 N ATOM 473 CA GLY A 29 12.983 12.360 7.988 1.00 0.00 C ATOM 474 C GLY A 29 12.413 11.779 6.729 1.00 0.00 C ATOM 475 O GLY A 29 12.285 12.461 5.713 1.00 0.00 O ATOM 0 H GLY A 29 13.822 11.046 9.361 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.199 12.448 8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.353 13.367 7.794 1.00 0.00 H new ATOM 479 N ILE A 30 12.082 10.473 6.784 1.00 0.00 N ATOM 480 CA ILE A 30 11.750 9.668 5.639 1.00 0.00 C ATOM 481 C ILE A 30 10.277 9.838 5.319 1.00 0.00 C ATOM 482 O ILE A 30 9.451 9.988 6.219 1.00 0.00 O ATOM 483 CB ILE A 30 12.168 8.220 5.902 1.00 0.00 C ATOM 484 CG1 ILE A 30 12.084 7.340 4.639 1.00 0.00 C ATOM 485 CG2 ILE A 30 11.404 7.639 7.112 1.00 0.00 C ATOM 486 CD1 ILE A 30 12.759 5.971 4.774 1.00 0.00 C ATOM 0 H ILE A 30 12.043 9.954 7.661 1.00 0.00 H new ATOM 0 HA ILE A 30 12.297 9.990 4.753 1.00 0.00 H new ATOM 0 HB ILE A 30 13.225 8.221 6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.035 7.190 4.385 1.00 0.00 H new ATOM 0 HG13 ILE A 30 12.540 7.876 3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.718 6.609 7.280 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.621 8.234 7.999 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.333 7.664 6.912 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.652 5.419 3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 30 13.817 6.107 4.996 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.288 5.411 5.582 1.00 0.00 H new ATOM 498 N LYS A 31 9.926 9.858 4.006 1.00 0.00 N ATOM 499 CA LYS A 31 8.570 10.036 3.527 1.00 0.00 C ATOM 500 C LYS A 31 8.000 8.660 3.324 1.00 0.00 C ATOM 501 O LYS A 31 8.739 7.683 3.261 1.00 0.00 O ATOM 502 CB LYS A 31 8.468 10.808 2.182 1.00 0.00 C ATOM 503 CG LYS A 31 8.592 12.344 2.286 1.00 0.00 C ATOM 504 CD LYS A 31 9.956 12.866 2.769 1.00 0.00 C ATOM 505 CE LYS A 31 10.142 14.385 2.613 1.00 0.00 C ATOM 506 NZ LYS A 31 9.113 15.150 3.357 1.00 0.00 N ATOM 0 H LYS A 31 10.606 9.747 3.254 1.00 0.00 H new ATOM 0 HA LYS A 31 8.030 10.631 4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.247 10.442 1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.511 10.569 1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.383 12.775 1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.822 12.708 2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.082 12.602 3.819 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.744 12.356 2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.132 14.667 2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.097 14.649 1.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.275 16.169 3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.169 14.900 3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.172 14.918 4.369 1.00 0.00 H new ATOM 520 N VAL A 32 6.653 8.556 3.224 1.00 0.00 N ATOM 521 CA VAL A 32 5.898 7.318 3.267 1.00 0.00 C ATOM 522 C VAL A 32 6.196 6.392 2.103 1.00 0.00 C ATOM 523 O VAL A 32 6.130 5.171 2.238 1.00 0.00 O ATOM 524 CB VAL A 32 4.402 7.612 3.369 1.00 0.00 C ATOM 525 CG1 VAL A 32 3.878 8.276 2.078 1.00 0.00 C ATOM 526 CG2 VAL A 32 3.608 6.346 3.758 1.00 0.00 C ATOM 0 H VAL A 32 6.056 9.375 3.107 1.00 0.00 H new ATOM 0 HA VAL A 32 6.219 6.785 4.162 1.00 0.00 H new ATOM 0 HB VAL A 32 4.247 8.331 4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.811 8.474 2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.407 9.214 1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.045 7.609 1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.547 6.587 3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.759 5.575 3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.956 5.981 4.724 1.00 0.00 H new ATOM 536 N THR A 33 6.570 6.961 0.933 1.00 0.00 N ATOM 537 CA THR A 33 6.863 6.232 -0.280 1.00 0.00 C ATOM 538 C THR A 33 8.183 5.504 -0.143 1.00 0.00 C ATOM 539 O THR A 33 8.385 4.438 -0.721 1.00 0.00 O ATOM 540 CB THR A 33 6.892 7.160 -1.491 1.00 0.00 C ATOM 541 OG1 THR A 33 7.707 8.306 -1.253 1.00 0.00 O ATOM 542 CG2 THR A 33 5.448 7.623 -1.787 1.00 0.00 C ATOM 0 H THR A 33 6.673 7.970 0.825 1.00 0.00 H new ATOM 0 HA THR A 33 6.068 5.503 -0.437 1.00 0.00 H new ATOM 0 HB THR A 33 7.312 6.616 -2.337 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.706 8.879 -2.048 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.449 8.288 -2.651 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.824 6.755 -1.998 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.051 8.153 -0.921 1.00 0.00 H new ATOM 550 N GLU A 34 9.099 6.080 0.664 1.00 0.00 N ATOM 551 CA GLU A 34 10.421 5.572 0.914 1.00 0.00 C ATOM 552 C GLU A 34 10.384 4.595 2.068 1.00 0.00 C ATOM 553 O GLU A 34 11.260 3.740 2.187 1.00 0.00 O ATOM 554 CB GLU A 34 11.375 6.729 1.274 1.00 0.00 C ATOM 555 CG GLU A 34 11.485 7.814 0.188 1.00 0.00 C ATOM 556 CD GLU A 34 12.315 8.977 0.729 1.00 0.00 C ATOM 557 OE1 GLU A 34 11.866 9.608 1.725 1.00 0.00 O ATOM 558 OE2 GLU A 34 13.404 9.249 0.159 1.00 0.00 O ATOM 0 H GLU A 34 8.908 6.945 1.169 1.00 0.00 H new ATOM 0 HA GLU A 34 10.777 5.071 0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.035 7.191 2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.367 6.321 1.467 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.951 7.404 -0.708 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.492 8.161 -0.099 1.00 0.00 H new ATOM 565 N VAL A 35 9.345 4.679 2.939 1.00 0.00 N ATOM 566 CA VAL A 35 9.117 3.760 4.041 1.00 0.00 C ATOM 567 C VAL A 35 8.621 2.446 3.481 1.00 0.00 C ATOM 568 O VAL A 35 8.869 1.392 4.061 1.00 0.00 O ATOM 569 CB VAL A 35 8.139 4.313 5.084 1.00 0.00 C ATOM 570 CG1 VAL A 35 7.740 3.262 6.144 1.00 0.00 C ATOM 571 CG2 VAL A 35 8.806 5.506 5.794 1.00 0.00 C ATOM 0 H VAL A 35 8.637 5.411 2.877 1.00 0.00 H new ATOM 0 HA VAL A 35 10.062 3.615 4.565 1.00 0.00 H new ATOM 0 HB VAL A 35 7.230 4.611 4.562 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.047 3.709 6.856 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.261 2.415 5.654 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.631 2.920 6.671 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.124 5.913 6.541 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.722 5.173 6.282 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.045 6.278 5.062 1.00 0.00 H new ATOM 581 N ALA A 36 7.946 2.469 2.305 1.00 0.00 N ATOM 582 CA ALA A 36 7.437 1.284 1.647 1.00 0.00 C ATOM 583 C ALA A 36 8.548 0.375 1.171 1.00 0.00 C ATOM 584 O ALA A 36 8.362 -0.836 1.077 1.00 0.00 O ATOM 585 CB ALA A 36 6.558 1.625 0.429 1.00 0.00 C ATOM 0 H ALA A 36 7.748 3.331 1.797 1.00 0.00 H new ATOM 0 HA ALA A 36 6.839 0.775 2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.200 0.704 -0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.707 2.224 0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.145 2.189 -0.297 1.00 0.00 H new ATOM 591 N LYS A 37 9.740 0.954 0.893 1.00 0.00 N ATOM 592 CA LYS A 37 10.929 0.250 0.471 1.00 0.00 C ATOM 593 C LYS A 37 11.496 -0.540 1.626 1.00 0.00 C ATOM 594 O LYS A 37 11.660 -1.756 1.539 1.00 0.00 O ATOM 595 CB LYS A 37 12.005 1.253 -0.023 1.00 0.00 C ATOM 596 CG LYS A 37 13.342 0.648 -0.489 1.00 0.00 C ATOM 597 CD LYS A 37 14.388 1.738 -0.783 1.00 0.00 C ATOM 598 CE LYS A 37 15.792 1.201 -1.100 1.00 0.00 C ATOM 599 NZ LYS A 37 15.805 0.425 -2.361 1.00 0.00 N ATOM 0 H LYS A 37 9.884 1.961 0.965 1.00 0.00 H new ATOM 0 HA LYS A 37 10.658 -0.423 -0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.584 1.827 -0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.211 1.957 0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.724 -0.025 0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.178 0.050 -1.385 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.043 2.338 -1.625 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.453 2.404 0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.492 2.033 -1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.135 0.570 -0.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.768 0.077 -2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.155 -0.383 -2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.501 1.035 -3.147 1.00 0.00 H new ATOM 613 N ARG A 38 11.815 0.156 2.745 1.00 0.00 N ATOM 614 CA ARG A 38 12.552 -0.401 3.858 1.00 0.00 C ATOM 615 C ARG A 38 11.669 -1.295 4.690 1.00 0.00 C ATOM 616 O ARG A 38 12.120 -2.300 5.238 1.00 0.00 O ATOM 617 CB ARG A 38 13.136 0.721 4.757 1.00 0.00 C ATOM 618 CG ARG A 38 14.103 0.255 5.866 1.00 0.00 C ATOM 619 CD ARG A 38 15.359 -0.454 5.335 1.00 0.00 C ATOM 620 NE ARG A 38 16.245 -0.814 6.493 1.00 0.00 N ATOM 621 CZ ARG A 38 17.359 -1.598 6.355 1.00 0.00 C ATOM 622 NH1 ARG A 38 17.715 -2.102 5.137 1.00 0.00 N ATOM 623 NH2 ARG A 38 18.122 -1.881 7.452 1.00 0.00 N ATOM 0 H ARG A 38 11.554 1.133 2.881 1.00 0.00 H new ATOM 0 HA ARG A 38 13.372 -0.988 3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.659 1.435 4.121 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.308 1.255 5.223 1.00 0.00 H new ATOM 0 HG2 ARG A 38 14.407 1.119 6.457 1.00 0.00 H new ATOM 0 HG3 ARG A 38 13.573 -0.420 6.538 1.00 0.00 H new ATOM 0 HD2 ARG A 38 15.079 -1.351 4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.892 0.195 4.641 1.00 0.00 H new ATOM 0 HE ARG A 38 16.007 -0.460 7.420 1.00 0.00 H new ATOM 0 HH11 ARG A 38 17.148 -1.896 4.314 1.00 0.00 H new ATOM 0 HH12 ARG A 38 18.548 -2.685 5.050 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.860 -1.509 8.365 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.954 -2.464 7.358 1.00 0.00 H new ATOM 637 N GLY A 39 10.366 -0.951 4.779 1.00 0.00 N ATOM 638 CA GLY A 39 9.397 -1.659 5.575 1.00 0.00 C ATOM 639 C GLY A 39 8.896 -2.893 4.885 1.00 0.00 C ATOM 640 O GLY A 39 8.215 -3.709 5.501 1.00 0.00 O ATOM 0 H GLY A 39 9.972 -0.153 4.281 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.844 -1.934 6.530 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.557 -1.000 5.794 1.00 0.00 H new ATOM 644 N GLY A 40 9.244 -3.079 3.588 1.00 0.00 N ATOM 645 CA GLY A 40 8.879 -4.248 2.822 1.00 0.00 C ATOM 646 C GLY A 40 9.741 -5.419 3.207 1.00 0.00 C ATOM 647 O GLY A 40 9.357 -6.571 3.015 1.00 0.00 O ATOM 0 H GLY A 40 9.792 -2.401 3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.830 -4.489 2.993 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.989 -4.042 1.757 1.00 0.00 H new ATOM 651 N GLU A 41 10.931 -5.131 3.787 1.00 0.00 N ATOM 652 CA GLU A 41 11.877 -6.113 4.259 1.00 0.00 C ATOM 653 C GLU A 41 11.383 -6.686 5.560 1.00 0.00 C ATOM 654 O GLU A 41 11.416 -7.897 5.774 1.00 0.00 O ATOM 655 CB GLU A 41 13.271 -5.487 4.521 1.00 0.00 C ATOM 656 CG GLU A 41 13.899 -4.758 3.315 1.00 0.00 C ATOM 657 CD GLU A 41 14.330 -5.747 2.232 1.00 0.00 C ATOM 658 OE1 GLU A 41 13.441 -6.301 1.532 1.00 0.00 O ATOM 659 OE2 GLU A 41 15.565 -5.954 2.087 1.00 0.00 O ATOM 0 H GLU A 41 11.248 -4.173 3.934 1.00 0.00 H new ATOM 0 HA GLU A 41 11.969 -6.879 3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.186 -4.782 5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.951 -6.275 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.180 -4.051 2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.761 -4.179 3.646 1.00 0.00 H new ATOM 666 N LEU A 42 10.900 -5.794 6.456 1.00 0.00 N ATOM 667 CA LEU A 42 10.486 -6.120 7.800 1.00 0.00 C ATOM 668 C LEU A 42 9.167 -6.840 7.801 1.00 0.00 C ATOM 669 O LEU A 42 8.965 -7.735 8.615 1.00 0.00 O ATOM 670 CB LEU A 42 10.330 -4.852 8.672 1.00 0.00 C ATOM 671 CG LEU A 42 11.654 -4.097 8.943 1.00 0.00 C ATOM 672 CD1 LEU A 42 11.382 -2.703 9.542 1.00 0.00 C ATOM 673 CD2 LEU A 42 12.611 -4.904 9.845 1.00 0.00 C ATOM 0 H LEU A 42 10.793 -4.804 6.236 1.00 0.00 H new ATOM 0 HA LEU A 42 11.266 -6.759 8.213 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.632 -4.173 8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.885 -5.134 9.626 1.00 0.00 H new ATOM 0 HG LEU A 42 12.150 -3.969 7.981 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.329 -2.194 9.723 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.783 -2.118 8.844 1.00 0.00 H new ATOM 0 HD13 LEU A 42 10.842 -2.810 10.483 1.00 0.00 H new ATOM 0 HD21 LEU A 42 13.526 -4.334 10.007 1.00 0.00 H new ATOM 0 HD22 LEU A 42 12.130 -5.098 10.804 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.854 -5.851 9.362 1.00 0.00 H new ATOM 685 N TRP A 43 8.251 -6.478 6.870 1.00 0.00 N ATOM 686 CA TRP A 43 6.911 -7.020 6.733 1.00 0.00 C ATOM 687 C TRP A 43 6.903 -8.523 6.557 1.00 0.00 C ATOM 688 O TRP A 43 5.978 -9.192 7.018 1.00 0.00 O ATOM 689 CB TRP A 43 6.182 -6.351 5.529 1.00 0.00 C ATOM 690 CG TRP A 43 4.841 -6.936 5.100 1.00 0.00 C ATOM 691 CD1 TRP A 43 4.564 -7.625 3.954 1.00 0.00 C ATOM 692 CD2 TRP A 43 3.636 -6.957 5.887 1.00 0.00 C ATOM 693 NE1 TRP A 43 3.269 -8.083 3.972 1.00 0.00 N ATOM 694 CE2 TRP A 43 2.677 -7.688 5.151 1.00 0.00 C ATOM 695 CE3 TRP A 43 3.330 -6.424 7.133 1.00 0.00 C ATOM 696 CZ2 TRP A 43 1.399 -7.905 5.656 1.00 0.00 C ATOM 697 CZ3 TRP A 43 2.044 -6.650 7.645 1.00 0.00 C ATOM 698 CH2 TRP A 43 1.095 -7.385 6.921 1.00 0.00 C ATOM 0 H TRP A 43 8.453 -5.765 6.169 1.00 0.00 H new ATOM 0 HA TRP A 43 6.385 -6.797 7.662 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.027 -5.300 5.772 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.853 -6.384 4.670 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.264 -7.787 3.148 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.820 -8.626 3.234 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.059 -5.854 7.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.664 -8.458 5.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.780 -6.251 8.613 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.116 -7.553 7.344 1.00 0.00 H new ATOM 709 N ARG A 44 7.945 -9.077 5.893 1.00 0.00 N ATOM 710 CA ARG A 44 8.087 -10.486 5.613 1.00 0.00 C ATOM 711 C ARG A 44 8.136 -11.309 6.873 1.00 0.00 C ATOM 712 O ARG A 44 7.330 -12.223 7.041 1.00 0.00 O ATOM 713 CB ARG A 44 9.353 -10.776 4.779 1.00 0.00 C ATOM 714 CG ARG A 44 9.204 -10.299 3.327 1.00 0.00 C ATOM 715 CD ARG A 44 10.437 -10.609 2.464 1.00 0.00 C ATOM 716 NE ARG A 44 10.009 -10.750 1.029 1.00 0.00 N ATOM 717 CZ ARG A 44 9.497 -11.913 0.516 1.00 0.00 C ATOM 718 NH1 ARG A 44 9.425 -13.047 1.275 1.00 0.00 N ATOM 719 NH2 ARG A 44 9.043 -11.940 -0.771 1.00 0.00 N ATOM 0 H ARG A 44 8.722 -8.521 5.536 1.00 0.00 H new ATOM 0 HA ARG A 44 7.204 -10.769 5.039 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.210 -10.283 5.237 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.558 -11.847 4.790 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.328 -10.772 2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 44 9.023 -9.224 3.320 1.00 0.00 H new ATOM 0 HD2 ARG A 44 11.174 -9.811 2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.915 -11.527 2.806 1.00 0.00 H new ATOM 0 HE ARG A 44 10.104 -9.945 0.410 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.755 -13.037 2.240 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.041 -13.904 0.877 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.086 -11.098 -1.345 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.661 -12.802 -1.159 1.00 0.00 H new ATOM 733 N ALA A 45 9.075 -10.990 7.790 1.00 0.00 N ATOM 734 CA ALA A 45 9.151 -11.659 9.060 1.00 0.00 C ATOM 735 C ALA A 45 9.501 -10.606 10.062 1.00 0.00 C ATOM 736 O ALA A 45 10.611 -10.077 10.058 1.00 0.00 O ATOM 737 CB ALA A 45 10.217 -12.771 9.107 1.00 0.00 C ATOM 0 H ALA A 45 9.782 -10.268 7.652 1.00 0.00 H new ATOM 0 HA ALA A 45 8.198 -12.148 9.260 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.218 -13.232 10.095 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.989 -13.526 8.354 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.199 -12.343 8.905 1.00 0.00 H new ATOM 743 N MET A 46 8.531 -10.280 10.944 1.00 0.00 N ATOM 744 CA MET A 46 8.714 -9.363 12.038 1.00 0.00 C ATOM 745 C MET A 46 8.125 -10.071 13.220 1.00 0.00 C ATOM 746 O MET A 46 8.849 -10.596 14.063 1.00 0.00 O ATOM 747 CB MET A 46 8.117 -7.935 11.816 1.00 0.00 C ATOM 748 CG MET A 46 6.837 -7.791 10.949 1.00 0.00 C ATOM 749 SD MET A 46 5.237 -7.758 11.821 1.00 0.00 S ATOM 750 CE MET A 46 4.257 -7.774 10.295 1.00 0.00 C ATOM 0 H MET A 46 7.588 -10.667 10.895 1.00 0.00 H new ATOM 0 HA MET A 46 9.771 -9.133 12.171 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.902 -7.510 12.796 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.894 -7.318 11.364 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.924 -6.872 10.369 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.817 -8.617 10.238 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.302 -7.278 10.470 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.800 -7.249 9.509 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.079 -8.805 9.988 1.00 0.00 H new ATOM 760 N LYS A 47 6.783 -10.109 13.288 1.00 0.00 N ATOM 761 CA LYS A 47 6.015 -10.764 14.306 1.00 0.00 C ATOM 762 C LYS A 47 4.943 -11.444 13.504 1.00 0.00 C ATOM 763 O LYS A 47 5.254 -12.214 12.597 1.00 0.00 O ATOM 764 CB LYS A 47 5.426 -9.764 15.335 1.00 0.00 C ATOM 765 CG LYS A 47 6.501 -9.160 16.258 1.00 0.00 C ATOM 766 CD LYS A 47 6.022 -7.943 17.070 1.00 0.00 C ATOM 767 CE LYS A 47 5.874 -6.650 16.249 1.00 0.00 C ATOM 768 NZ LYS A 47 7.173 -6.222 15.676 1.00 0.00 N ATOM 0 H LYS A 47 6.196 -9.654 12.589 1.00 0.00 H new ATOM 0 HA LYS A 47 6.603 -11.448 14.918 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.916 -8.961 14.804 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.676 -10.272 15.941 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.846 -9.930 16.948 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.359 -8.865 15.654 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.061 -8.181 17.526 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.726 -7.764 17.883 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.154 -6.808 15.446 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.476 -5.858 16.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.096 -5.242 15.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.910 -6.277 16.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.425 -6.846 14.883 1.00 0.00 H new ATOM 782 N ASP A 48 3.653 -11.169 13.804 1.00 0.00 N ATOM 783 CA ASP A 48 2.540 -11.794 13.136 1.00 0.00 C ATOM 784 C ASP A 48 2.084 -10.894 12.030 1.00 0.00 C ATOM 785 O ASP A 48 1.968 -9.682 12.200 1.00 0.00 O ATOM 786 CB ASP A 48 1.318 -12.029 14.059 1.00 0.00 C ATOM 787 CG ASP A 48 1.675 -13.069 15.118 1.00 0.00 C ATOM 788 OD1 ASP A 48 1.921 -14.242 14.729 1.00 0.00 O ATOM 789 OD2 ASP A 48 1.705 -12.706 16.324 1.00 0.00 O ATOM 0 H ASP A 48 3.377 -10.501 14.523 1.00 0.00 H new ATOM 0 HA ASP A 48 2.892 -12.764 12.784 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.024 -11.094 14.536 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.465 -12.370 13.472 1.00 0.00 H new ATOM 794 N LYS A 49 1.783 -11.511 10.867 1.00 0.00 N ATOM 795 CA LYS A 49 1.117 -10.876 9.756 1.00 0.00 C ATOM 796 C LYS A 49 -0.361 -11.085 9.945 1.00 0.00 C ATOM 797 O LYS A 49 -1.169 -10.290 9.472 1.00 0.00 O ATOM 798 CB LYS A 49 1.513 -11.497 8.396 1.00 0.00 C ATOM 799 CG LYS A 49 2.987 -11.251 8.026 1.00 0.00 C ATOM 800 CD LYS A 49 3.454 -12.014 6.772 1.00 0.00 C ATOM 801 CE LYS A 49 2.727 -11.607 5.481 1.00 0.00 C ATOM 802 NZ LYS A 49 3.257 -12.348 4.311 1.00 0.00 N ATOM 0 H LYS A 49 2.011 -12.489 10.691 1.00 0.00 H new ATOM 0 HA LYS A 49 1.401 -9.824 9.738 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.326 -12.570 8.425 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.875 -11.084 7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.137 -10.183 7.866 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.615 -11.539 8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.524 -11.853 6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.310 -13.082 6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.660 -11.801 5.585 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.841 -10.535 5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.748 -12.053 3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.270 -12.142 4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.125 -13.369 4.458 1.00 0.00 H new ATOM 816 N SER A 50 -0.732 -12.173 10.670 1.00 0.00 N ATOM 817 CA SER A 50 -2.083 -12.646 10.874 1.00 0.00 C ATOM 818 C SER A 50 -2.890 -11.691 11.723 1.00 0.00 C ATOM 819 O SER A 50 -4.117 -11.685 11.650 1.00 0.00 O ATOM 820 CB SER A 50 -2.081 -14.046 11.545 1.00 0.00 C ATOM 821 OG SER A 50 -3.355 -14.679 11.476 1.00 0.00 O ATOM 0 H SER A 50 -0.044 -12.758 11.143 1.00 0.00 H new ATOM 0 HA SER A 50 -2.547 -12.712 9.890 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.337 -14.678 11.060 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.783 -13.946 12.589 1.00 0.00 H new ATOM 0 HG SER A 50 -3.308 -15.557 11.909 1.00 0.00 H new ATOM 827 N GLU A 51 -2.208 -10.841 12.530 1.00 0.00 N ATOM 828 CA GLU A 51 -2.811 -9.811 13.346 1.00 0.00 C ATOM 829 C GLU A 51 -3.470 -8.785 12.462 1.00 0.00 C ATOM 830 O GLU A 51 -4.619 -8.402 12.675 1.00 0.00 O ATOM 831 CB GLU A 51 -1.744 -9.098 14.219 1.00 0.00 C ATOM 832 CG GLU A 51 -2.278 -7.914 15.051 1.00 0.00 C ATOM 833 CD GLU A 51 -1.179 -7.377 15.967 1.00 0.00 C ATOM 834 OE1 GLU A 51 -0.075 -7.060 15.450 1.00 0.00 O ATOM 835 OE2 GLU A 51 -1.437 -7.269 17.195 1.00 0.00 O ATOM 0 H GLU A 51 -1.192 -10.872 12.618 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.547 -10.284 13.996 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.300 -9.829 14.895 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.945 -8.738 13.571 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.629 -7.123 14.388 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.134 -8.234 15.646 1.00 0.00 H new ATOM 842 N TRP A 52 -2.731 -8.334 11.429 1.00 0.00 N ATOM 843 CA TRP A 52 -3.123 -7.246 10.573 1.00 0.00 C ATOM 844 C TRP A 52 -4.075 -7.723 9.512 1.00 0.00 C ATOM 845 O TRP A 52 -4.932 -6.964 9.067 1.00 0.00 O ATOM 846 CB TRP A 52 -1.899 -6.598 9.895 1.00 0.00 C ATOM 847 CG TRP A 52 -0.781 -6.261 10.862 1.00 0.00 C ATOM 848 CD1 TRP A 52 0.435 -6.869 10.996 1.00 0.00 C ATOM 849 CD2 TRP A 52 -0.842 -5.247 11.880 1.00 0.00 C ATOM 850 NE1 TRP A 52 1.151 -6.287 12.014 1.00 0.00 N ATOM 851 CE2 TRP A 52 0.389 -5.282 12.569 1.00 0.00 C ATOM 852 CE3 TRP A 52 -1.842 -4.348 12.239 1.00 0.00 C ATOM 853 CZ2 TRP A 52 0.646 -4.403 13.616 1.00 0.00 C ATOM 854 CZ3 TRP A 52 -1.583 -3.462 13.294 1.00 0.00 C ATOM 855 CH2 TRP A 52 -0.356 -3.488 13.972 1.00 0.00 C ATOM 0 H TRP A 52 -1.829 -8.739 11.179 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.616 -6.503 11.200 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.516 -7.274 9.131 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.215 -5.688 9.386 1.00 0.00 H new ATOM 0 HD1 TRP A 52 0.784 -7.691 10.388 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.090 -6.554 12.310 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -2.789 -4.333 11.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.590 -4.424 14.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -2.339 -2.749 13.589 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -0.180 -2.793 14.780 1.00 0.00 H new ATOM 866 N GLU A 53 -3.959 -9.012 9.106 1.00 0.00 N ATOM 867 CA GLU A 53 -4.838 -9.662 8.155 1.00 0.00 C ATOM 868 C GLU A 53 -6.218 -9.817 8.735 1.00 0.00 C ATOM 869 O GLU A 53 -7.209 -9.665 8.025 1.00 0.00 O ATOM 870 CB GLU A 53 -4.350 -11.082 7.773 1.00 0.00 C ATOM 871 CG GLU A 53 -3.131 -11.111 6.831 1.00 0.00 C ATOM 872 CD GLU A 53 -3.521 -10.628 5.433 1.00 0.00 C ATOM 873 OE1 GLU A 53 -4.536 -11.140 4.890 1.00 0.00 O ATOM 874 OE2 GLU A 53 -2.804 -9.746 4.891 1.00 0.00 O ATOM 0 H GLU A 53 -3.224 -9.629 9.453 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.843 -9.026 7.270 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.100 -11.623 8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.172 -11.619 7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.339 -10.479 7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.732 -12.124 6.774 1.00 0.00 H new ATOM 881 N ALA A 54 -6.307 -10.109 10.055 1.00 0.00 N ATOM 882 CA ALA A 54 -7.553 -10.314 10.756 1.00 0.00 C ATOM 883 C ALA A 54 -8.326 -9.028 10.858 1.00 0.00 C ATOM 884 O ALA A 54 -9.538 -9.010 10.658 1.00 0.00 O ATOM 885 CB ALA A 54 -7.332 -10.846 12.186 1.00 0.00 C ATOM 0 H ALA A 54 -5.487 -10.206 10.654 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.110 -11.052 10.179 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.296 -10.985 12.675 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.806 -11.800 12.142 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.737 -10.130 12.753 1.00 0.00 H new ATOM 891 N LYS A 55 -7.621 -7.911 11.153 1.00 0.00 N ATOM 892 CA LYS A 55 -8.216 -6.607 11.324 1.00 0.00 C ATOM 893 C LYS A 55 -8.610 -6.010 9.997 1.00 0.00 C ATOM 894 O LYS A 55 -9.578 -5.258 9.926 1.00 0.00 O ATOM 895 CB LYS A 55 -7.266 -5.630 12.052 1.00 0.00 C ATOM 896 CG LYS A 55 -7.013 -6.050 13.509 1.00 0.00 C ATOM 897 CD LYS A 55 -6.044 -5.126 14.261 1.00 0.00 C ATOM 898 CE LYS A 55 -5.817 -5.579 15.711 1.00 0.00 C ATOM 899 NZ LYS A 55 -4.881 -4.678 16.424 1.00 0.00 N ATOM 0 H LYS A 55 -6.608 -7.913 11.276 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.106 -6.752 11.937 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.317 -5.582 11.518 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.693 -4.627 12.033 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.964 -6.074 14.041 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.616 -7.065 13.521 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.089 -5.100 13.737 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.437 -4.109 14.257 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.771 -5.605 16.238 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.421 -6.595 15.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.751 -5.014 17.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.963 -4.673 15.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.271 -3.714 16.439 1.00 0.00 H new ATOM 913 N ALA A 56 -7.881 -6.356 8.909 1.00 0.00 N ATOM 914 CA ALA A 56 -8.158 -5.888 7.569 1.00 0.00 C ATOM 915 C ALA A 56 -9.372 -6.582 7.008 1.00 0.00 C ATOM 916 O ALA A 56 -10.152 -5.982 6.269 1.00 0.00 O ATOM 917 CB ALA A 56 -6.979 -6.147 6.611 1.00 0.00 C ATOM 0 H ALA A 56 -7.075 -6.979 8.960 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.328 -4.814 7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.231 -5.780 5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.093 -5.628 6.976 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.778 -7.217 6.562 1.00 0.00 H new ATOM 923 N ALA A 57 -9.563 -7.873 7.373 1.00 0.00 N ATOM 924 CA ALA A 57 -10.672 -8.692 6.943 1.00 0.00 C ATOM 925 C ALA A 57 -11.939 -8.255 7.625 1.00 0.00 C ATOM 926 O ALA A 57 -12.993 -8.182 6.999 1.00 0.00 O ATOM 927 CB ALA A 57 -10.453 -10.183 7.264 1.00 0.00 C ATOM 0 H ALA A 57 -8.920 -8.367 7.992 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.748 -8.568 5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.313 -10.759 6.922 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.555 -10.536 6.757 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.336 -10.310 8.340 1.00 0.00 H new ATOM 933 N LYS A 58 -11.849 -7.919 8.935 1.00 0.00 N ATOM 934 CA LYS A 58 -12.960 -7.433 9.721 1.00 0.00 C ATOM 935 C LYS A 58 -13.387 -6.070 9.250 1.00 0.00 C ATOM 936 O LYS A 58 -14.580 -5.787 9.209 1.00 0.00 O ATOM 937 CB LYS A 58 -12.622 -7.332 11.228 1.00 0.00 C ATOM 938 CG LYS A 58 -12.637 -8.685 11.961 1.00 0.00 C ATOM 939 CD LYS A 58 -14.056 -9.235 12.188 1.00 0.00 C ATOM 940 CE LYS A 58 -14.079 -10.515 13.035 1.00 0.00 C ATOM 941 NZ LYS A 58 -15.470 -10.967 13.280 1.00 0.00 N ATOM 0 H LYS A 58 -10.979 -7.987 9.464 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.763 -8.158 9.588 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.637 -6.880 11.340 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.336 -6.662 11.707 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.061 -9.409 11.385 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.138 -8.575 12.924 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.661 -8.472 12.678 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.519 -9.437 11.222 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.522 -11.302 12.526 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.579 -10.334 13.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.457 -11.834 13.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.993 -10.224 13.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.937 -11.161 12.371 1.00 0.00 H new ATOM 955 N ALA A 59 -12.420 -5.208 8.854 1.00 0.00 N ATOM 956 CA ALA A 59 -12.672 -3.858 8.399 1.00 0.00 C ATOM 957 C ALA A 59 -13.350 -3.834 7.053 1.00 0.00 C ATOM 958 O ALA A 59 -14.003 -2.853 6.708 1.00 0.00 O ATOM 959 CB ALA A 59 -11.374 -3.036 8.275 1.00 0.00 C ATOM 0 H ALA A 59 -11.431 -5.456 8.849 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.322 -3.417 9.155 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.612 -2.030 7.930 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.884 -2.980 9.247 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.706 -3.516 7.559 1.00 0.00 H new ATOM 965 N LYS A 60 -13.219 -4.931 6.269 1.00 0.00 N ATOM 966 CA LYS A 60 -13.799 -5.070 4.955 1.00 0.00 C ATOM 967 C LYS A 60 -15.293 -5.246 5.079 1.00 0.00 C ATOM 968 O LYS A 60 -16.069 -4.534 4.444 1.00 0.00 O ATOM 969 CB LYS A 60 -13.205 -6.294 4.207 1.00 0.00 C ATOM 970 CG LYS A 60 -13.466 -6.322 2.689 1.00 0.00 C ATOM 971 CD LYS A 60 -12.635 -5.313 1.870 1.00 0.00 C ATOM 972 CE LYS A 60 -11.117 -5.574 1.855 1.00 0.00 C ATOM 973 NZ LYS A 60 -10.792 -6.902 1.279 1.00 0.00 N ATOM 0 H LYS A 60 -12.689 -5.752 6.561 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.570 -4.169 4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.128 -6.316 4.375 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.615 -7.203 4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.261 -7.326 2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.524 -6.127 2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.998 -5.317 0.842 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.812 -4.314 2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.620 -4.795 1.276 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.728 -5.513 2.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.760 -7.000 1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.159 -7.650 1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.228 -6.989 0.339 1.00 0.00 H new ATOM 987 N ASP A 61 -15.713 -6.208 5.935 1.00 0.00 N ATOM 988 CA ASP A 61 -17.093 -6.599 6.123 1.00 0.00 C ATOM 989 C ASP A 61 -17.825 -5.577 6.951 1.00 0.00 C ATOM 990 O ASP A 61 -19.018 -5.356 6.746 1.00 0.00 O ATOM 991 CB ASP A 61 -17.238 -7.966 6.842 1.00 0.00 C ATOM 992 CG ASP A 61 -16.806 -9.109 5.920 1.00 0.00 C ATOM 993 OD1 ASP A 61 -15.596 -9.185 5.578 1.00 0.00 O ATOM 994 OD2 ASP A 61 -17.689 -9.928 5.548 1.00 0.00 O ATOM 0 H ASP A 61 -15.067 -6.737 6.521 1.00 0.00 H new ATOM 0 HA ASP A 61 -17.517 -6.676 5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -16.631 -7.973 7.747 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -18.273 -8.112 7.151 1.00 0.00 H new ATOM 999 N ASP A 62 -17.115 -4.916 7.901 1.00 0.00 N ATOM 1000 CA ASP A 62 -17.665 -3.903 8.778 1.00 0.00 C ATOM 1001 C ASP A 62 -18.048 -2.695 7.966 1.00 0.00 C ATOM 1002 O ASP A 62 -19.127 -2.143 8.155 1.00 0.00 O ATOM 1003 CB ASP A 62 -16.668 -3.478 9.894 1.00 0.00 C ATOM 1004 CG ASP A 62 -17.307 -2.523 10.908 1.00 0.00 C ATOM 1005 OD1 ASP A 62 -18.297 -2.938 11.567 1.00 0.00 O ATOM 1006 OD2 ASP A 62 -16.812 -1.370 11.030 1.00 0.00 O ATOM 0 H ASP A 62 -16.124 -5.092 8.066 1.00 0.00 H new ATOM 0 HA ASP A 62 -18.540 -4.333 9.266 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.305 -4.366 10.412 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -15.801 -2.997 9.441 1.00 0.00 H new ATOM 1011 N TYR A 63 -17.175 -2.290 7.011 1.00 0.00 N ATOM 1012 CA TYR A 63 -17.391 -1.170 6.124 1.00 0.00 C ATOM 1013 C TYR A 63 -18.609 -1.415 5.271 1.00 0.00 C ATOM 1014 O TYR A 63 -19.501 -0.574 5.232 1.00 0.00 O ATOM 1015 CB TYR A 63 -16.154 -0.924 5.217 1.00 0.00 C ATOM 1016 CG TYR A 63 -16.287 0.276 4.308 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -16.400 1.573 4.836 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -16.240 0.114 2.912 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -16.421 2.690 3.991 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -16.273 1.227 2.062 1.00 0.00 C ATOM 1021 CZ TYR A 63 -16.354 2.519 2.602 1.00 0.00 C ATOM 1022 OH TYR A 63 -16.361 3.647 1.751 1.00 0.00 O ATOM 0 H TYR A 63 -16.284 -2.760 6.850 1.00 0.00 H new ATOM 0 HA TYR A 63 -17.548 -0.281 6.735 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -15.274 -0.794 5.847 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -15.981 -1.811 4.608 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.471 1.710 5.905 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -16.178 -0.879 2.491 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -16.489 3.683 4.410 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -16.236 1.090 0.991 1.00 0.00 H new ATOM 0 HH TYR A 63 -16.308 3.353 0.818 1.00 0.00 H new ATOM 1032 N ASP A 64 -18.675 -2.589 4.598 1.00 0.00 N ATOM 1033 CA ASP A 64 -19.709 -2.953 3.650 1.00 0.00 C ATOM 1034 C ASP A 64 -21.088 -2.933 4.277 1.00 0.00 C ATOM 1035 O ASP A 64 -22.036 -2.404 3.699 1.00 0.00 O ATOM 1036 CB ASP A 64 -19.431 -4.361 3.053 1.00 0.00 C ATOM 1037 CG ASP A 64 -20.339 -4.664 1.859 1.00 0.00 C ATOM 1038 OD1 ASP A 64 -20.233 -3.935 0.837 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -21.146 -5.627 1.956 1.00 0.00 O ATOM 0 H ASP A 64 -17.976 -3.322 4.718 1.00 0.00 H new ATOM 0 HA ASP A 64 -19.688 -2.207 2.855 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -18.388 -4.424 2.741 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -19.580 -5.118 3.823 1.00 0.00 H new ATOM 1044 N ARG A 65 -21.212 -3.500 5.498 1.00 0.00 N ATOM 1045 CA ARG A 65 -22.463 -3.609 6.209 1.00 0.00 C ATOM 1046 C ARG A 65 -22.892 -2.270 6.753 1.00 0.00 C ATOM 1047 O ARG A 65 -24.065 -1.909 6.676 1.00 0.00 O ATOM 1048 CB ARG A 65 -22.354 -4.626 7.373 1.00 0.00 C ATOM 1049 CG ARG A 65 -23.659 -4.838 8.163 1.00 0.00 C ATOM 1050 CD ARG A 65 -23.592 -5.982 9.189 1.00 0.00 C ATOM 1051 NE ARG A 65 -23.456 -7.301 8.477 1.00 0.00 N ATOM 1052 CZ ARG A 65 -24.522 -8.023 8.007 1.00 0.00 C ATOM 1053 NH1 ARG A 65 -25.800 -7.563 8.137 1.00 0.00 N ATOM 1054 NH2 ARG A 65 -24.299 -9.225 7.397 1.00 0.00 N ATOM 0 H ARG A 65 -20.421 -3.895 6.007 1.00 0.00 H new ATOM 0 HA ARG A 65 -23.211 -3.961 5.499 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -22.028 -5.585 6.971 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -21.579 -4.289 8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -23.912 -3.913 8.682 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -24.468 -5.041 7.461 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -22.746 -5.832 9.859 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -24.491 -5.983 9.805 1.00 0.00 H new ATOM 0 HE ARG A 65 -22.519 -7.678 8.336 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -25.976 -6.667 8.591 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -26.580 -8.116 7.780 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -23.347 -9.576 7.295 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -25.085 -9.771 7.043 1.00 0.00 H new ATOM 1068 N ALA A 66 -21.942 -1.500 7.328 1.00 0.00 N ATOM 1069 CA ALA A 66 -22.245 -0.306 8.081 1.00 0.00 C ATOM 1070 C ALA A 66 -22.584 0.872 7.207 1.00 0.00 C ATOM 1071 O ALA A 66 -23.370 1.719 7.626 1.00 0.00 O ATOM 1072 CB ALA A 66 -21.086 0.105 9.001 1.00 0.00 C ATOM 0 H ALA A 66 -20.945 -1.707 7.271 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.119 -0.570 8.676 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -21.358 1.008 9.548 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -20.880 -0.699 9.708 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -20.196 0.298 8.401 1.00 0.00 H new ATOM 1078 N VAL A 67 -22.029 0.959 5.968 1.00 0.00 N ATOM 1079 CA VAL A 67 -22.315 2.060 5.063 1.00 0.00 C ATOM 1080 C VAL A 67 -23.723 1.973 4.533 1.00 0.00 C ATOM 1081 O VAL A 67 -24.297 2.985 4.142 1.00 0.00 O ATOM 1082 CB VAL A 67 -21.361 2.224 3.882 1.00 0.00 C ATOM 1083 CG1 VAL A 67 -19.971 2.621 4.421 1.00 0.00 C ATOM 1084 CG2 VAL A 67 -21.334 0.972 2.977 1.00 0.00 C ATOM 0 H VAL A 67 -21.381 0.268 5.590 1.00 0.00 H new ATOM 0 HA VAL A 67 -22.174 2.941 5.689 1.00 0.00 H new ATOM 0 HB VAL A 67 -21.717 3.023 3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -19.279 2.742 3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -20.048 3.561 4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -19.603 1.842 5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -20.642 1.135 2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -21.008 0.110 3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -22.333 0.787 2.582 1.00 0.00 H new ATOM 1094 N LYS A 68 -24.329 0.761 4.545 1.00 0.00 N ATOM 1095 CA LYS A 68 -25.678 0.532 4.088 1.00 0.00 C ATOM 1096 C LYS A 68 -26.650 1.222 5.010 1.00 0.00 C ATOM 1097 O LYS A 68 -27.606 1.847 4.559 1.00 0.00 O ATOM 1098 CB LYS A 68 -26.006 -0.981 4.037 1.00 0.00 C ATOM 1099 CG LYS A 68 -27.366 -1.350 3.412 1.00 0.00 C ATOM 1100 CD LYS A 68 -27.495 -0.966 1.928 1.00 0.00 C ATOM 1101 CE LYS A 68 -28.826 -1.390 1.287 1.00 0.00 C ATOM 1102 NZ LYS A 68 -28.983 -2.864 1.282 1.00 0.00 N ATOM 0 H LYS A 68 -23.868 -0.084 4.882 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.766 0.937 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -25.220 -1.486 3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -25.975 -1.375 5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -27.522 -2.424 3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -28.159 -0.858 3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -27.385 0.114 1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -26.675 -1.421 1.373 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -29.654 -0.937 1.832 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -28.874 -1.015 0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -29.822 -3.122 0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -28.139 -3.302 0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -29.098 -3.204 2.258 1.00 0.00 H new ATOM 1116 N GLU A 69 -26.386 1.144 6.334 1.00 0.00 N ATOM 1117 CA GLU A 69 -27.214 1.720 7.365 1.00 0.00 C ATOM 1118 C GLU A 69 -26.989 3.208 7.457 1.00 0.00 C ATOM 1119 O GLU A 69 -27.925 3.967 7.696 1.00 0.00 O ATOM 1120 CB GLU A 69 -26.909 1.102 8.752 1.00 0.00 C ATOM 1121 CG GLU A 69 -26.988 -0.438 8.784 1.00 0.00 C ATOM 1122 CD GLU A 69 -28.378 -0.909 8.362 1.00 0.00 C ATOM 1123 OE1 GLU A 69 -29.362 -0.551 9.063 1.00 0.00 O ATOM 1124 OE2 GLU A 69 -28.474 -1.629 7.332 1.00 0.00 O ATOM 0 H GLU A 69 -25.566 0.662 6.702 1.00 0.00 H new ATOM 0 HA GLU A 69 -28.248 1.508 7.093 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -25.911 1.411 9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -27.611 1.507 9.481 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -26.236 -0.861 8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -26.764 -0.799 9.788 1.00 0.00 H new ATOM 1131 N PHE A 70 -25.721 3.642 7.258 1.00 0.00 N ATOM 1132 CA PHE A 70 -25.255 5.006 7.389 1.00 0.00 C ATOM 1133 C PHE A 70 -25.857 5.880 6.315 1.00 0.00 C ATOM 1134 O PHE A 70 -26.346 6.973 6.597 1.00 0.00 O ATOM 1135 CB PHE A 70 -23.701 5.042 7.283 1.00 0.00 C ATOM 1136 CG PHE A 70 -23.083 6.396 7.535 1.00 0.00 C ATOM 1137 CD1 PHE A 70 -23.169 7.006 8.798 1.00 0.00 C ATOM 1138 CD2 PHE A 70 -22.377 7.051 6.510 1.00 0.00 C ATOM 1139 CE1 PHE A 70 -22.565 8.249 9.029 1.00 0.00 C ATOM 1140 CE2 PHE A 70 -21.769 8.291 6.741 1.00 0.00 C ATOM 1141 CZ PHE A 70 -21.863 8.891 8.002 1.00 0.00 C ATOM 0 H PHE A 70 -24.973 3.003 6.989 1.00 0.00 H new ATOM 0 HA PHE A 70 -25.565 5.387 8.362 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -23.285 4.330 7.996 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -23.410 4.704 6.288 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -23.704 6.513 9.596 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -22.303 6.593 5.535 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -22.641 8.713 10.001 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -21.228 8.784 5.947 1.00 0.00 H new ATOM 0 HZ PHE A 70 -21.395 9.847 8.182 1.00 0.00 H new ATOM 1151 N GLU A 71 -25.830 5.405 5.050 1.00 0.00 N ATOM 1152 CA GLU A 71 -26.282 6.159 3.904 1.00 0.00 C ATOM 1153 C GLU A 71 -27.778 6.069 3.754 1.00 0.00 C ATOM 1154 O GLU A 71 -28.379 6.912 3.091 1.00 0.00 O ATOM 1155 CB GLU A 71 -25.619 5.670 2.596 1.00 0.00 C ATOM 1156 CG GLU A 71 -24.097 5.908 2.589 1.00 0.00 C ATOM 1157 CD GLU A 71 -23.494 5.360 1.298 1.00 0.00 C ATOM 1158 OE1 GLU A 71 -23.562 4.119 1.091 1.00 0.00 O ATOM 1159 OE2 GLU A 71 -22.953 6.175 0.504 1.00 0.00 O ATOM 0 H GLU A 71 -25.486 4.474 4.814 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.992 7.195 4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.819 4.607 2.465 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -26.069 6.186 1.748 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -23.886 6.974 2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -23.640 5.421 3.450 1.00 0.00 H new