USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 405 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 32 THR OG1 : rot -169:sc= 0.00663 USER MOD Set 1.2: A 61 TYR OH : rot -170:sc= 1.02 USER MOD Set 2.1: A 18 TYR OH : rot -173:sc= 1.04 USER MOD Set 2.2: A 43 TYR OH : rot 30:sc= 0.915 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -47:sc= 0.0306 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.37! K(o=-1.4!,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.189 USER MOD Single : A 23 THR OG1 : rot -44:sc=0.000778 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0141 X(o=-0.014,f=-0.28) USER MOD Single : A 35 TYR OH : rot -161:sc= 0.424 USER MOD Single : A 36 TYR OH : rot 30:sc= -0.0866 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 77:sc= 1.26 USER MOD Single : A 41 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.35) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.71) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0477 K(o=-0.048,f=-1.2) USER MOD Single : A 50 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.17) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 158:sc= 1.27 USER MOD Single : A 60 THR OG1 : rot 39:sc= 0.56 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 10 13.965 7.905 1.943 1.00 0.00 N ATOM 135 CA TYR A 10 14.398 6.537 1.653 1.00 0.00 C ATOM 136 C TYR A 10 15.306 6.520 0.409 1.00 0.00 C ATOM 137 O TYR A 10 15.328 7.502 -0.347 1.00 0.00 O ATOM 138 CB TYR A 10 13.161 5.652 1.441 1.00 0.00 C ATOM 139 CG TYR A 10 12.539 5.101 2.710 1.00 0.00 C ATOM 140 CD1 TYR A 10 11.636 5.874 3.460 1.00 0.00 C ATOM 141 CD2 TYR A 10 12.837 3.792 3.125 1.00 0.00 C ATOM 142 CE1 TYR A 10 10.982 5.328 4.580 1.00 0.00 C ATOM 143 CE2 TYR A 10 12.192 3.239 4.243 1.00 0.00 C ATOM 144 CZ TYR A 10 11.242 3.993 4.965 1.00 0.00 C ATOM 145 OH TYR A 10 10.607 3.433 6.030 1.00 0.00 O ATOM 0 HA TYR A 10 14.973 6.147 2.493 1.00 0.00 H new ATOM 0 HB2 TYR A 10 12.407 6.230 0.907 1.00 0.00 H new ATOM 0 HB3 TYR A 10 13.437 4.817 0.798 1.00 0.00 H new ATOM 0 HD1 TYR A 10 11.442 6.897 3.174 1.00 0.00 H new ATOM 0 HD2 TYR A 10 13.565 3.209 2.582 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.283 5.928 5.144 1.00 0.00 H new ATOM 0 HE2 TYR A 10 12.424 2.231 4.552 1.00 0.00 H new ATOM 0 HH TYR A 10 10.912 2.509 6.143 1.00 0.00 H new ATOM 155 N PRO A 11 16.042 5.417 0.176 1.00 0.00 N ATOM 156 CA PRO A 11 16.729 5.134 -1.081 1.00 0.00 C ATOM 157 C PRO A 11 15.717 4.763 -2.172 1.00 0.00 C ATOM 158 O PRO A 11 14.514 4.815 -1.947 1.00 0.00 O ATOM 159 CB PRO A 11 17.654 3.957 -0.752 1.00 0.00 C ATOM 160 CG PRO A 11 16.833 3.173 0.260 1.00 0.00 C ATOM 161 CD PRO A 11 16.220 4.294 1.089 1.00 0.00 C ATOM 0 HA PRO A 11 17.283 5.991 -1.464 1.00 0.00 H new ATOM 0 HB2 PRO A 11 17.886 3.363 -1.636 1.00 0.00 H new ATOM 0 HB3 PRO A 11 18.604 4.291 -0.334 1.00 0.00 H new ATOM 0 HG2 PRO A 11 16.074 2.555 -0.219 1.00 0.00 H new ATOM 0 HG3 PRO A 11 17.452 2.508 0.863 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.267 3.985 1.519 1.00 0.00 H new ATOM 0 HD3 PRO A 11 16.871 4.566 1.920 1.00 0.00 H new ATOM 169 N VAL A 12 16.202 4.342 -3.337 1.00 0.00 N ATOM 170 CA VAL A 12 15.418 3.805 -4.439 1.00 0.00 C ATOM 171 C VAL A 12 15.820 2.325 -4.571 1.00 0.00 C ATOM 172 O VAL A 12 16.784 2.027 -5.281 1.00 0.00 O ATOM 173 CB VAL A 12 15.649 4.654 -5.708 1.00 0.00 C ATOM 174 CG1 VAL A 12 14.805 4.119 -6.868 1.00 0.00 C ATOM 175 CG2 VAL A 12 15.295 6.139 -5.487 1.00 0.00 C ATOM 0 H VAL A 12 17.200 4.368 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 12 14.342 3.853 -4.269 1.00 0.00 H new ATOM 0 HB VAL A 12 16.711 4.582 -5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.979 4.728 -7.755 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.085 3.086 -7.076 1.00 0.00 H new ATOM 0 HG13 VAL A 12 13.749 4.161 -6.600 1.00 0.00 H new ATOM 0 HG21 VAL A 12 15.474 6.696 -6.407 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.245 6.225 -5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 12 15.916 6.546 -4.689 1.00 0.00 H new ATOM 185 N PRO A 13 15.199 1.403 -3.810 1.00 0.00 N ATOM 186 CA PRO A 13 15.558 -0.011 -3.846 1.00 0.00 C ATOM 187 C PRO A 13 15.069 -0.660 -5.153 1.00 0.00 C ATOM 188 O PRO A 13 14.153 -0.143 -5.805 1.00 0.00 O ATOM 189 CB PRO A 13 14.887 -0.601 -2.603 1.00 0.00 C ATOM 190 CG PRO A 13 13.607 0.224 -2.474 1.00 0.00 C ATOM 191 CD PRO A 13 14.071 1.616 -2.906 1.00 0.00 C ATOM 0 HA PRO A 13 16.634 -0.185 -3.832 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.672 -1.662 -2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.519 -0.505 -1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.812 -0.157 -3.115 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.223 0.222 -1.454 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.268 2.157 -3.406 1.00 0.00 H new ATOM 0 HD3 PRO A 13 14.369 2.213 -2.044 1.00 0.00 H new ATOM 199 N ASP A 14 15.617 -1.823 -5.520 1.00 0.00 N ATOM 200 CA ASP A 14 15.321 -2.501 -6.790 1.00 0.00 C ATOM 201 C ASP A 14 15.115 -3.995 -6.566 1.00 0.00 C ATOM 202 O ASP A 14 15.889 -4.623 -5.847 1.00 0.00 O ATOM 203 CB ASP A 14 16.458 -2.296 -7.797 1.00 0.00 C ATOM 204 CG ASP A 14 15.950 -2.599 -9.208 1.00 0.00 C ATOM 205 OD1 ASP A 14 15.780 -3.789 -9.556 1.00 0.00 O ATOM 206 OD2 ASP A 14 15.663 -1.637 -9.956 1.00 0.00 O ATOM 0 H ASP A 14 16.286 -2.327 -4.938 1.00 0.00 H new ATOM 0 HA ASP A 14 14.406 -2.065 -7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.825 -1.271 -7.743 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.296 -2.948 -7.553 1.00 0.00 H new ATOM 211 N VAL A 15 14.109 -4.593 -7.200 1.00 0.00 N ATOM 212 CA VAL A 15 13.820 -6.019 -7.073 1.00 0.00 C ATOM 213 C VAL A 15 14.979 -6.914 -7.557 1.00 0.00 C ATOM 214 O VAL A 15 15.145 -8.041 -7.079 1.00 0.00 O ATOM 215 CB VAL A 15 12.460 -6.283 -7.743 1.00 0.00 C ATOM 216 CG1 VAL A 15 12.495 -6.053 -9.260 1.00 0.00 C ATOM 217 CG2 VAL A 15 11.892 -7.665 -7.428 1.00 0.00 C ATOM 0 H VAL A 15 13.468 -4.099 -7.820 1.00 0.00 H new ATOM 0 HA VAL A 15 13.738 -6.301 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 15 11.786 -5.547 -7.306 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.510 -6.254 -9.681 1.00 0.00 H new ATOM 0 HG12 VAL A 15 12.774 -5.019 -9.465 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.226 -6.723 -9.713 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.933 -7.787 -7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 15 12.585 -8.431 -7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.753 -7.764 -6.351 1.00 0.00 H new ATOM 227 N SER A 16 15.864 -6.389 -8.411 1.00 0.00 N ATOM 228 CA SER A 16 17.102 -7.028 -8.833 1.00 0.00 C ATOM 229 C SER A 16 18.138 -7.120 -7.696 1.00 0.00 C ATOM 230 O SER A 16 19.288 -7.466 -7.974 1.00 0.00 O ATOM 231 CB SER A 16 17.661 -6.254 -10.037 1.00 0.00 C ATOM 232 OG SER A 16 18.526 -7.042 -10.850 1.00 0.00 O ATOM 0 H SER A 16 15.727 -5.474 -8.840 1.00 0.00 H new ATOM 0 HA SER A 16 16.886 -8.058 -9.118 1.00 0.00 H new ATOM 0 HB2 SER A 16 16.833 -5.889 -10.644 1.00 0.00 H new ATOM 0 HB3 SER A 16 18.204 -5.379 -9.680 1.00 0.00 H new ATOM 0 HG SER A 16 19.168 -7.516 -10.281 1.00 0.00 H new ATOM 238 N THR A 17 17.803 -6.796 -6.441 1.00 0.00 N ATOM 239 CA THR A 17 18.659 -7.077 -5.292 1.00 0.00 C ATOM 240 C THR A 17 17.903 -7.860 -4.210 1.00 0.00 C ATOM 241 O THR A 17 18.453 -8.092 -3.132 1.00 0.00 O ATOM 242 CB THR A 17 19.326 -5.765 -4.828 1.00 0.00 C ATOM 243 OG1 THR A 17 20.548 -6.015 -4.160 1.00 0.00 O ATOM 244 CG2 THR A 17 18.520 -4.791 -3.959 1.00 0.00 C ATOM 0 H THR A 17 16.928 -6.331 -6.198 1.00 0.00 H new ATOM 0 HA THR A 17 19.473 -7.747 -5.567 1.00 0.00 H new ATOM 0 HB THR A 17 19.448 -5.257 -5.785 1.00 0.00 H new ATOM 0 HG1 THR A 17 20.947 -5.165 -3.880 1.00 0.00 H new ATOM 0 HG21 THR A 17 19.134 -3.922 -3.721 1.00 0.00 H new ATOM 0 HG22 THR A 17 17.631 -4.470 -4.502 1.00 0.00 H new ATOM 0 HG23 THR A 17 18.222 -5.288 -3.036 1.00 0.00 H new ATOM 252 N TYR A 18 16.653 -8.267 -4.460 1.00 0.00 N ATOM 253 CA TYR A 18 15.863 -9.018 -3.497 1.00 0.00 C ATOM 254 C TYR A 18 16.228 -10.509 -3.577 1.00 0.00 C ATOM 255 O TYR A 18 16.644 -10.987 -4.640 1.00 0.00 O ATOM 256 CB TYR A 18 14.377 -8.688 -3.682 1.00 0.00 C ATOM 257 CG TYR A 18 13.975 -7.243 -3.512 1.00 0.00 C ATOM 258 CD1 TYR A 18 14.829 -6.311 -2.901 1.00 0.00 C ATOM 259 CD2 TYR A 18 12.676 -6.863 -3.879 1.00 0.00 C ATOM 260 CE1 TYR A 18 14.432 -4.973 -2.781 1.00 0.00 C ATOM 261 CE2 TYR A 18 12.268 -5.527 -3.783 1.00 0.00 C ATOM 262 CZ TYR A 18 13.154 -4.569 -3.241 1.00 0.00 C ATOM 263 OH TYR A 18 12.773 -3.266 -3.141 1.00 0.00 O ATOM 0 H TYR A 18 16.167 -8.081 -5.338 1.00 0.00 H new ATOM 0 HA TYR A 18 16.094 -8.725 -2.473 1.00 0.00 H new ATOM 0 HB2 TYR A 18 14.080 -9.008 -4.681 1.00 0.00 H new ATOM 0 HB3 TYR A 18 13.805 -9.286 -2.972 1.00 0.00 H new ATOM 0 HD1 TYR A 18 15.791 -6.625 -2.524 1.00 0.00 H new ATOM 0 HD2 TYR A 18 11.983 -7.609 -4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 18 15.100 -4.249 -2.338 1.00 0.00 H new ATOM 0 HE2 TYR A 18 11.285 -5.232 -4.120 1.00 0.00 H new ATOM 0 HH TYR A 18 11.830 -3.181 -3.393 1.00 0.00 H new ATOM 273 N GLN A 19 16.097 -11.210 -2.447 1.00 0.00 N ATOM 274 CA GLN A 19 16.328 -12.654 -2.263 1.00 0.00 C ATOM 275 C GLN A 19 15.020 -13.439 -2.382 1.00 0.00 C ATOM 276 O GLN A 19 14.169 -13.302 -1.503 1.00 0.00 O ATOM 277 CB GLN A 19 16.879 -12.902 -0.847 1.00 0.00 C ATOM 278 CG GLN A 19 18.248 -12.278 -0.598 1.00 0.00 C ATOM 279 CD GLN A 19 18.715 -12.480 0.844 1.00 0.00 C ATOM 280 OE1 GLN A 19 18.898 -13.596 1.328 1.00 0.00 O ATOM 281 NE2 GLN A 19 18.928 -11.411 1.591 1.00 0.00 N ATOM 0 H GLN A 19 15.809 -10.760 -1.578 1.00 0.00 H new ATOM 0 HA GLN A 19 17.028 -12.981 -3.031 1.00 0.00 H new ATOM 0 HB2 GLN A 19 16.172 -12.506 -0.118 1.00 0.00 H new ATOM 0 HB3 GLN A 19 16.944 -13.977 -0.676 1.00 0.00 H new ATOM 0 HG2 GLN A 19 18.976 -12.717 -1.280 1.00 0.00 H new ATOM 0 HG3 GLN A 19 18.206 -11.212 -0.820 1.00 0.00 H new ATOM 0 HE21 GLN A 19 18.780 -10.480 1.202 1.00 0.00 H new ATOM 0 HE22 GLN A 19 19.240 -11.517 2.556 1.00 0.00 H new ATOM 290 N TYR A 20 14.751 -14.133 -3.488 1.00 0.00 N ATOM 291 CA TYR A 20 13.514 -14.899 -3.649 1.00 0.00 C ATOM 292 C TYR A 20 13.383 -15.941 -2.534 1.00 0.00 C ATOM 293 O TYR A 20 14.403 -16.433 -2.048 1.00 0.00 O ATOM 294 CB TYR A 20 13.524 -15.555 -5.030 1.00 0.00 C ATOM 295 CG TYR A 20 12.314 -16.414 -5.327 1.00 0.00 C ATOM 296 CD1 TYR A 20 11.078 -15.803 -5.598 1.00 0.00 C ATOM 297 CD2 TYR A 20 12.417 -17.817 -5.314 1.00 0.00 C ATOM 298 CE1 TYR A 20 9.950 -16.585 -5.888 1.00 0.00 C ATOM 299 CE2 TYR A 20 11.304 -18.605 -5.650 1.00 0.00 C ATOM 300 CZ TYR A 20 10.066 -17.992 -5.947 1.00 0.00 C ATOM 301 OH TYR A 20 9.003 -18.748 -6.337 1.00 0.00 O ATOM 0 H TYR A 20 15.378 -14.181 -4.291 1.00 0.00 H new ATOM 0 HA TYR A 20 12.650 -14.238 -3.575 1.00 0.00 H new ATOM 0 HB2 TYR A 20 13.595 -14.775 -5.788 1.00 0.00 H new ATOM 0 HB3 TYR A 20 14.420 -16.169 -5.120 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.996 -14.726 -5.583 1.00 0.00 H new ATOM 0 HD2 TYR A 20 13.351 -18.288 -5.046 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.995 -16.113 -6.066 1.00 0.00 H new ATOM 0 HE2 TYR A 20 11.394 -19.681 -5.681 1.00 0.00 H new ATOM 0 HH TYR A 20 9.253 -19.696 -6.323 1.00 0.00 H new ATOM 311 N ASP A 21 12.162 -16.318 -2.151 1.00 0.00 N ATOM 312 CA ASP A 21 11.921 -17.337 -1.145 1.00 0.00 C ATOM 313 C ASP A 21 10.928 -18.305 -1.757 1.00 0.00 C ATOM 314 O ASP A 21 9.715 -18.088 -1.708 1.00 0.00 O ATOM 315 CB ASP A 21 11.419 -16.734 0.190 1.00 0.00 C ATOM 316 CG ASP A 21 12.485 -16.662 1.290 1.00 0.00 C ATOM 317 OD1 ASP A 21 13.456 -17.464 1.255 1.00 0.00 O ATOM 318 OD2 ASP A 21 12.345 -15.815 2.205 1.00 0.00 O ATOM 0 H ASP A 21 11.308 -15.916 -2.538 1.00 0.00 H new ATOM 0 HA ASP A 21 12.845 -17.851 -0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.040 -15.730 0.002 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.580 -17.329 0.551 1.00 0.00 H new ATOM 323 N GLU A 22 11.439 -19.371 -2.373 1.00 0.00 N ATOM 324 CA GLU A 22 10.623 -20.437 -2.950 1.00 0.00 C ATOM 325 C GLU A 22 9.606 -20.992 -1.954 1.00 0.00 C ATOM 326 O GLU A 22 8.497 -21.334 -2.373 1.00 0.00 O ATOM 327 CB GLU A 22 11.471 -21.591 -3.516 1.00 0.00 C ATOM 328 CG GLU A 22 12.627 -21.990 -2.599 1.00 0.00 C ATOM 329 CD GLU A 22 13.060 -23.441 -2.792 1.00 0.00 C ATOM 330 OE1 GLU A 22 12.236 -24.353 -2.556 1.00 0.00 O ATOM 331 OE2 GLU A 22 14.247 -23.681 -3.104 1.00 0.00 O ATOM 0 H GLU A 22 12.442 -19.519 -2.486 1.00 0.00 H new ATOM 0 HA GLU A 22 10.084 -19.971 -3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.831 -22.457 -3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.870 -21.299 -4.487 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.477 -21.334 -2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.330 -21.839 -1.561 1.00 0.00 H new ATOM 338 N THR A 23 9.938 -21.028 -0.659 1.00 0.00 N ATOM 339 CA THR A 23 9.102 -21.641 0.364 1.00 0.00 C ATOM 340 C THR A 23 7.806 -20.840 0.594 1.00 0.00 C ATOM 341 O THR A 23 6.935 -21.263 1.357 1.00 0.00 O ATOM 342 CB THR A 23 9.941 -21.837 1.642 1.00 0.00 C ATOM 343 OG1 THR A 23 9.392 -22.909 2.375 1.00 0.00 O ATOM 344 CG2 THR A 23 10.024 -20.603 2.549 1.00 0.00 C ATOM 0 H THR A 23 10.802 -20.628 -0.294 1.00 0.00 H new ATOM 0 HA THR A 23 8.767 -22.623 0.031 1.00 0.00 H new ATOM 0 HB THR A 23 10.962 -22.036 1.315 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.416 -22.827 2.393 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.634 -20.834 3.423 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.476 -19.777 1.999 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.022 -20.320 2.871 1.00 0.00 H new ATOM 352 N SER A 24 7.639 -19.674 -0.035 1.00 0.00 N ATOM 353 CA SER A 24 6.362 -18.971 -0.089 1.00 0.00 C ATOM 354 C SER A 24 6.065 -18.404 -1.479 1.00 0.00 C ATOM 355 O SER A 24 4.911 -18.084 -1.761 1.00 0.00 O ATOM 356 CB SER A 24 6.317 -17.919 1.018 1.00 0.00 C ATOM 357 OG SER A 24 6.489 -18.572 2.269 1.00 0.00 O ATOM 0 H SER A 24 8.393 -19.191 -0.523 1.00 0.00 H new ATOM 0 HA SER A 24 5.557 -19.683 0.092 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.101 -17.177 0.867 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.366 -17.387 0.996 1.00 0.00 H new ATOM 0 HG SER A 24 6.464 -17.909 2.990 1.00 0.00 H new ATOM 363 N GLY A 25 7.048 -18.361 -2.385 1.00 0.00 N ATOM 364 CA GLY A 25 6.827 -18.044 -3.785 1.00 0.00 C ATOM 365 C GLY A 25 6.898 -16.547 -4.052 1.00 0.00 C ATOM 366 O GLY A 25 6.366 -16.092 -5.066 1.00 0.00 O ATOM 0 H GLY A 25 8.024 -18.548 -2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.572 -18.556 -4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.851 -18.421 -4.092 1.00 0.00 H new ATOM 370 N TYR A 26 7.505 -15.789 -3.141 1.00 0.00 N ATOM 371 CA TYR A 26 7.545 -14.333 -3.101 1.00 0.00 C ATOM 372 C TYR A 26 9.006 -13.900 -3.046 1.00 0.00 C ATOM 373 O TYR A 26 9.912 -14.729 -2.951 1.00 0.00 O ATOM 374 CB TYR A 26 6.773 -13.832 -1.863 1.00 0.00 C ATOM 375 CG TYR A 26 5.292 -13.608 -2.107 1.00 0.00 C ATOM 376 CD1 TYR A 26 4.460 -14.679 -2.490 1.00 0.00 C ATOM 377 CD2 TYR A 26 4.735 -12.327 -1.933 1.00 0.00 C ATOM 378 CE1 TYR A 26 3.091 -14.476 -2.728 1.00 0.00 C ATOM 379 CE2 TYR A 26 3.355 -12.129 -2.110 1.00 0.00 C ATOM 380 CZ TYR A 26 2.534 -13.196 -2.538 1.00 0.00 C ATOM 381 OH TYR A 26 1.204 -12.999 -2.737 1.00 0.00 O ATOM 0 H TYR A 26 8.014 -16.205 -2.361 1.00 0.00 H new ATOM 0 HA TYR A 26 7.075 -13.906 -3.987 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.892 -14.555 -1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.220 -12.898 -1.523 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.880 -15.668 -2.602 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.369 -11.495 -1.663 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.469 -15.296 -3.055 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.921 -11.159 -1.918 1.00 0.00 H new ATOM 0 HH TYR A 26 0.983 -12.060 -2.562 1.00 0.00 H new ATOM 391 N TYR A 27 9.232 -12.595 -3.105 1.00 0.00 N ATOM 392 CA TYR A 27 10.539 -11.982 -2.987 1.00 0.00 C ATOM 393 C TYR A 27 10.669 -11.486 -1.545 1.00 0.00 C ATOM 394 O TYR A 27 9.693 -10.951 -1.036 1.00 0.00 O ATOM 395 CB TYR A 27 10.639 -10.895 -4.081 1.00 0.00 C ATOM 396 CG TYR A 27 10.802 -11.525 -5.460 1.00 0.00 C ATOM 397 CD1 TYR A 27 9.678 -12.044 -6.132 1.00 0.00 C ATOM 398 CD2 TYR A 27 12.080 -11.728 -6.012 1.00 0.00 C ATOM 399 CE1 TYR A 27 9.827 -12.763 -7.333 1.00 0.00 C ATOM 400 CE2 TYR A 27 12.243 -12.472 -7.187 1.00 0.00 C ATOM 401 CZ TYR A 27 11.119 -12.989 -7.862 1.00 0.00 C ATOM 402 OH TYR A 27 11.289 -13.679 -9.019 1.00 0.00 O ATOM 0 H TYR A 27 8.483 -11.916 -3.241 1.00 0.00 H new ATOM 0 HA TYR A 27 11.379 -12.656 -3.157 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.744 -10.273 -4.064 1.00 0.00 H new ATOM 0 HB3 TYR A 27 11.486 -10.241 -3.873 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.691 -11.889 -5.721 1.00 0.00 H new ATOM 0 HD2 TYR A 27 12.946 -11.305 -5.524 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.957 -13.141 -7.849 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.234 -12.650 -7.578 1.00 0.00 H new ATOM 0 HH TYR A 27 12.245 -13.735 -9.229 1.00 0.00 H new ATOM 412 N TYR A 28 11.802 -11.704 -0.860 1.00 0.00 N ATOM 413 CA TYR A 28 12.123 -11.065 0.412 1.00 0.00 C ATOM 414 C TYR A 28 13.061 -9.906 0.105 1.00 0.00 C ATOM 415 O TYR A 28 13.970 -10.061 -0.721 1.00 0.00 O ATOM 416 CB TYR A 28 12.831 -12.036 1.371 1.00 0.00 C ATOM 417 CG TYR A 28 13.394 -11.332 2.596 1.00 0.00 C ATOM 418 CD1 TYR A 28 12.540 -10.581 3.425 1.00 0.00 C ATOM 419 CD2 TYR A 28 14.783 -11.313 2.827 1.00 0.00 C ATOM 420 CE1 TYR A 28 13.062 -9.816 4.484 1.00 0.00 C ATOM 421 CE2 TYR A 28 15.314 -10.538 3.873 1.00 0.00 C ATOM 422 CZ TYR A 28 14.458 -9.788 4.709 1.00 0.00 C ATOM 423 OH TYR A 28 14.994 -9.030 5.707 1.00 0.00 O ATOM 0 H TYR A 28 12.529 -12.341 -1.186 1.00 0.00 H new ATOM 0 HA TYR A 28 11.203 -10.734 0.895 1.00 0.00 H new ATOM 0 HB2 TYR A 28 12.128 -12.806 1.689 1.00 0.00 H new ATOM 0 HB3 TYR A 28 13.639 -12.541 0.842 1.00 0.00 H new ATOM 0 HD1 TYR A 28 11.475 -10.592 3.247 1.00 0.00 H new ATOM 0 HD2 TYR A 28 15.442 -11.895 2.199 1.00 0.00 H new ATOM 0 HE1 TYR A 28 12.399 -9.252 5.123 1.00 0.00 H new ATOM 0 HE2 TYR A 28 16.381 -10.516 4.038 1.00 0.00 H new ATOM 0 HH TYR A 28 15.968 -9.137 5.712 1.00 0.00 H new ATOM 433 N ASP A 29 12.893 -8.782 0.801 1.00 0.00 N ATOM 434 CA ASP A 29 13.373 -7.485 0.360 1.00 0.00 C ATOM 435 C ASP A 29 14.389 -6.956 1.382 1.00 0.00 C ATOM 436 O ASP A 29 14.082 -6.060 2.168 1.00 0.00 O ATOM 437 CB ASP A 29 12.189 -6.523 0.204 1.00 0.00 C ATOM 438 CG ASP A 29 11.057 -7.013 -0.696 1.00 0.00 C ATOM 439 OD1 ASP A 29 11.237 -7.960 -1.494 1.00 0.00 O ATOM 440 OD2 ASP A 29 9.975 -6.409 -0.550 1.00 0.00 O ATOM 0 H ASP A 29 12.412 -8.753 1.700 1.00 0.00 H new ATOM 0 HA ASP A 29 13.865 -7.573 -0.609 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.780 -6.315 1.193 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.561 -5.578 -0.192 1.00 0.00 H new ATOM 445 N PRO A 30 15.633 -7.456 1.404 1.00 0.00 N ATOM 446 CA PRO A 30 16.597 -7.224 2.481 1.00 0.00 C ATOM 447 C PRO A 30 17.047 -5.766 2.636 1.00 0.00 C ATOM 448 O PRO A 30 17.731 -5.431 3.609 1.00 0.00 O ATOM 449 CB PRO A 30 17.798 -8.103 2.129 1.00 0.00 C ATOM 450 CG PRO A 30 17.698 -8.251 0.612 1.00 0.00 C ATOM 451 CD PRO A 30 16.197 -8.354 0.423 1.00 0.00 C ATOM 0 HA PRO A 30 16.132 -7.464 3.437 1.00 0.00 H new ATOM 0 HB2 PRO A 30 18.737 -7.637 2.426 1.00 0.00 H new ATOM 0 HB3 PRO A 30 17.749 -9.069 2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 30 18.121 -7.395 0.086 1.00 0.00 H new ATOM 0 HG3 PRO A 30 18.220 -9.137 0.250 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.906 -8.067 -0.588 1.00 0.00 H new ATOM 0 HD3 PRO A 30 15.849 -9.375 0.577 1.00 0.00 H new ATOM 459 N GLN A 31 16.717 -4.894 1.683 1.00 0.00 N ATOM 460 CA GLN A 31 17.027 -3.475 1.788 1.00 0.00 C ATOM 461 C GLN A 31 16.059 -2.770 2.752 1.00 0.00 C ATOM 462 O GLN A 31 16.408 -1.735 3.320 1.00 0.00 O ATOM 463 CB GLN A 31 16.994 -2.827 0.388 1.00 0.00 C ATOM 464 CG GLN A 31 17.634 -1.422 0.432 1.00 0.00 C ATOM 465 CD GLN A 31 18.201 -0.872 -0.884 1.00 0.00 C ATOM 466 OE1 GLN A 31 18.031 -1.409 -1.977 1.00 0.00 O ATOM 467 NE2 GLN A 31 18.900 0.249 -0.804 1.00 0.00 N ATOM 0 H GLN A 31 16.231 -5.152 0.824 1.00 0.00 H new ATOM 0 HA GLN A 31 18.031 -3.364 2.197 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.529 -3.456 -0.324 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.964 -2.754 0.038 1.00 0.00 H new ATOM 0 HG2 GLN A 31 16.885 -0.720 0.797 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.439 -1.440 1.166 1.00 0.00 H new ATOM 0 HE21 GLN A 31 19.043 0.697 0.101 1.00 0.00 H new ATOM 0 HE22 GLN A 31 19.296 0.665 -1.647 1.00 0.00 H new ATOM 476 N THR A 32 14.848 -3.295 2.937 1.00 0.00 N ATOM 477 CA THR A 32 13.735 -2.591 3.572 1.00 0.00 C ATOM 478 C THR A 32 12.976 -3.472 4.566 1.00 0.00 C ATOM 479 O THR A 32 12.427 -2.951 5.541 1.00 0.00 O ATOM 480 CB THR A 32 12.821 -2.011 2.473 1.00 0.00 C ATOM 481 OG1 THR A 32 12.841 -2.801 1.294 1.00 0.00 O ATOM 482 CG2 THR A 32 13.335 -0.615 2.088 1.00 0.00 C ATOM 0 H THR A 32 14.609 -4.242 2.643 1.00 0.00 H new ATOM 0 HA THR A 32 14.129 -1.770 4.171 1.00 0.00 H new ATOM 0 HB THR A 32 11.806 -1.985 2.871 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.394 -2.317 0.568 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.697 -0.194 1.311 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.317 0.034 2.964 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.356 -0.693 1.716 1.00 0.00 H new ATOM 490 N GLY A 33 13.000 -4.792 4.378 1.00 0.00 N ATOM 491 CA GLY A 33 12.508 -5.765 5.348 1.00 0.00 C ATOM 492 C GLY A 33 11.204 -6.460 4.963 1.00 0.00 C ATOM 493 O GLY A 33 10.709 -7.309 5.705 1.00 0.00 O ATOM 0 H GLY A 33 13.370 -5.221 3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.275 -6.524 5.499 1.00 0.00 H new ATOM 0 HA3 GLY A 33 12.365 -5.261 6.304 1.00 0.00 H new ATOM 497 N LEU A 34 10.610 -6.067 3.843 1.00 0.00 N ATOM 498 CA LEU A 34 9.303 -6.480 3.366 1.00 0.00 C ATOM 499 C LEU A 34 9.418 -7.803 2.606 1.00 0.00 C ATOM 500 O LEU A 34 10.511 -8.361 2.489 1.00 0.00 O ATOM 501 CB LEU A 34 8.820 -5.395 2.397 1.00 0.00 C ATOM 502 CG LEU A 34 8.631 -3.964 2.920 1.00 0.00 C ATOM 503 CD1 LEU A 34 7.472 -3.845 3.910 1.00 0.00 C ATOM 504 CD2 LEU A 34 9.831 -3.313 3.523 1.00 0.00 C ATOM 0 H LEU A 34 11.060 -5.410 3.206 1.00 0.00 H new ATOM 0 HA LEU A 34 8.614 -6.613 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.529 -5.353 1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.866 -5.723 1.983 1.00 0.00 H new ATOM 0 HG LEU A 34 8.412 -3.423 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.385 -2.812 4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.545 -4.147 3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.658 -4.491 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.572 -2.308 3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.173 -3.899 4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.626 -3.256 2.780 1.00 0.00 H new ATOM 516 N TYR A 35 8.298 -8.275 2.057 1.00 0.00 N ATOM 517 CA TYR A 35 8.295 -9.179 0.919 1.00 0.00 C ATOM 518 C TYR A 35 7.627 -8.480 -0.271 1.00 0.00 C ATOM 519 O TYR A 35 6.583 -7.837 -0.102 1.00 0.00 O ATOM 520 CB TYR A 35 7.544 -10.468 1.272 1.00 0.00 C ATOM 521 CG TYR A 35 8.353 -11.454 2.092 1.00 0.00 C ATOM 522 CD1 TYR A 35 8.673 -11.189 3.437 1.00 0.00 C ATOM 523 CD2 TYR A 35 8.825 -12.627 1.482 1.00 0.00 C ATOM 524 CE1 TYR A 35 9.506 -12.069 4.154 1.00 0.00 C ATOM 525 CE2 TYR A 35 9.642 -13.519 2.188 1.00 0.00 C ATOM 526 CZ TYR A 35 10.015 -13.234 3.520 1.00 0.00 C ATOM 527 OH TYR A 35 10.876 -14.061 4.174 1.00 0.00 O ATOM 0 H TYR A 35 7.366 -8.036 2.395 1.00 0.00 H new ATOM 0 HA TYR A 35 9.320 -9.442 0.656 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.640 -10.209 1.824 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.226 -10.954 0.350 1.00 0.00 H new ATOM 0 HD1 TYR A 35 8.278 -10.308 3.921 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.556 -12.844 0.459 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.757 -11.859 5.183 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.987 -14.426 1.713 1.00 0.00 H new ATOM 0 HH TYR A 35 11.345 -14.625 3.524 1.00 0.00 H new ATOM 537 N TYR A 36 8.166 -8.639 -1.474 1.00 0.00 N ATOM 538 CA TYR A 36 7.652 -8.069 -2.711 1.00 0.00 C ATOM 539 C TYR A 36 6.963 -9.181 -3.500 1.00 0.00 C ATOM 540 O TYR A 36 7.339 -10.353 -3.385 1.00 0.00 O ATOM 541 CB TYR A 36 8.810 -7.415 -3.495 1.00 0.00 C ATOM 542 CG TYR A 36 8.480 -6.812 -4.850 1.00 0.00 C ATOM 543 CD1 TYR A 36 8.550 -7.596 -6.015 1.00 0.00 C ATOM 544 CD2 TYR A 36 8.146 -5.448 -4.950 1.00 0.00 C ATOM 545 CE1 TYR A 36 8.309 -7.015 -7.274 1.00 0.00 C ATOM 546 CE2 TYR A 36 7.852 -4.868 -6.200 1.00 0.00 C ATOM 547 CZ TYR A 36 7.980 -5.647 -7.375 1.00 0.00 C ATOM 548 OH TYR A 36 7.802 -5.099 -8.609 1.00 0.00 O ATOM 0 H TYR A 36 9.010 -9.193 -1.619 1.00 0.00 H new ATOM 0 HA TYR A 36 6.919 -7.287 -2.515 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.239 -6.630 -2.872 1.00 0.00 H new ATOM 0 HB3 TYR A 36 9.586 -8.166 -3.640 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.789 -8.647 -5.944 1.00 0.00 H new ATOM 0 HD2 TYR A 36 8.115 -4.839 -4.058 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.376 -7.619 -8.167 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.532 -3.838 -6.261 1.00 0.00 H new ATOM 0 HH TYR A 36 7.467 -5.783 -9.225 1.00 0.00 H new ATOM 558 N ASP A 37 6.005 -8.826 -4.359 1.00 0.00 N ATOM 559 CA ASP A 37 5.492 -9.780 -5.348 1.00 0.00 C ATOM 560 C ASP A 37 5.534 -9.215 -6.772 1.00 0.00 C ATOM 561 O ASP A 37 5.191 -8.047 -6.987 1.00 0.00 O ATOM 562 CB ASP A 37 4.053 -10.146 -5.005 1.00 0.00 C ATOM 563 CG ASP A 37 3.465 -11.175 -5.965 1.00 0.00 C ATOM 564 OD1 ASP A 37 3.898 -12.347 -5.977 1.00 0.00 O ATOM 565 OD2 ASP A 37 2.590 -10.794 -6.781 1.00 0.00 O ATOM 0 H ASP A 37 5.574 -7.902 -4.392 1.00 0.00 H new ATOM 0 HA ASP A 37 6.133 -10.661 -5.314 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.014 -10.539 -3.989 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.439 -9.246 -5.022 1.00 0.00 H new ATOM 570 N PRO A 38 5.828 -10.048 -7.786 1.00 0.00 N ATOM 571 CA PRO A 38 5.903 -9.612 -9.172 1.00 0.00 C ATOM 572 C PRO A 38 4.560 -9.189 -9.770 1.00 0.00 C ATOM 573 O PRO A 38 4.550 -8.319 -10.644 1.00 0.00 O ATOM 574 CB PRO A 38 6.505 -10.796 -9.946 1.00 0.00 C ATOM 575 CG PRO A 38 6.191 -11.991 -9.052 1.00 0.00 C ATOM 576 CD PRO A 38 6.404 -11.377 -7.684 1.00 0.00 C ATOM 0 HA PRO A 38 6.514 -8.711 -9.238 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.055 -10.902 -10.933 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.578 -10.676 -10.096 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.173 -12.355 -9.189 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.858 -12.833 -9.237 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.914 -11.963 -6.906 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.463 -11.332 -7.430 1.00 0.00 H new ATOM 584 N ASN A 39 3.434 -9.773 -9.344 1.00 0.00 N ATOM 585 CA ASN A 39 2.093 -9.332 -9.740 1.00 0.00 C ATOM 586 C ASN A 39 1.569 -8.231 -8.822 1.00 0.00 C ATOM 587 O ASN A 39 0.593 -7.566 -9.163 1.00 0.00 O ATOM 588 CB ASN A 39 1.103 -10.506 -9.677 1.00 0.00 C ATOM 589 CG ASN A 39 0.838 -11.080 -11.051 1.00 0.00 C ATOM 590 OD1 ASN A 39 0.075 -10.523 -11.825 1.00 0.00 O ATOM 591 ND2 ASN A 39 1.469 -12.187 -11.400 1.00 0.00 N ATOM 0 H ASN A 39 3.429 -10.572 -8.709 1.00 0.00 H new ATOM 0 HA ASN A 39 2.174 -8.949 -10.757 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.501 -11.285 -9.026 1.00 0.00 H new ATOM 0 HB3 ASN A 39 0.165 -10.170 -9.235 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.322 -12.587 -12.326 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.103 -12.641 -10.743 1.00 0.00 H new ATOM 598 N SER A 40 2.161 -8.069 -7.643 1.00 0.00 N ATOM 599 CA SER A 40 1.553 -7.336 -6.546 1.00 0.00 C ATOM 600 C SER A 40 2.619 -6.478 -5.861 1.00 0.00 C ATOM 601 O SER A 40 3.132 -6.843 -4.812 1.00 0.00 O ATOM 602 CB SER A 40 0.816 -8.314 -5.594 1.00 0.00 C ATOM 603 OG SER A 40 0.357 -9.498 -6.243 1.00 0.00 O ATOM 0 H SER A 40 3.083 -8.447 -7.424 1.00 0.00 H new ATOM 0 HA SER A 40 0.789 -6.650 -6.912 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.486 -8.591 -4.780 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.035 -7.801 -5.146 1.00 0.00 H new ATOM 0 HG SER A 40 1.112 -10.105 -6.388 1.00 0.00 H new ATOM 609 N GLN A 41 2.928 -5.300 -6.422 1.00 0.00 N ATOM 610 CA GLN A 41 3.882 -4.323 -5.871 1.00 0.00 C ATOM 611 C GLN A 41 3.493 -3.796 -4.472 1.00 0.00 C ATOM 612 O GLN A 41 4.127 -2.869 -3.961 1.00 0.00 O ATOM 613 CB GLN A 41 4.070 -3.136 -6.837 1.00 0.00 C ATOM 614 CG GLN A 41 4.809 -3.489 -8.127 1.00 0.00 C ATOM 615 CD GLN A 41 3.936 -4.136 -9.186 1.00 0.00 C ATOM 616 OE1 GLN A 41 3.238 -3.446 -9.928 1.00 0.00 O ATOM 617 NE2 GLN A 41 3.954 -5.453 -9.299 1.00 0.00 N ATOM 0 H GLN A 41 2.509 -4.990 -7.299 1.00 0.00 H new ATOM 0 HA GLN A 41 4.822 -4.864 -5.756 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.091 -2.731 -7.092 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.618 -2.346 -6.322 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.250 -2.582 -8.540 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.632 -4.163 -7.889 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.538 -6.010 -8.676 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.384 -5.912 -10.009 1.00 0.00 H new ATOM 626 N TYR A 42 2.447 -4.331 -3.853 1.00 0.00 N ATOM 627 CA TYR A 42 2.064 -4.071 -2.485 1.00 0.00 C ATOM 628 C TYR A 42 3.025 -4.838 -1.578 1.00 0.00 C ATOM 629 O TYR A 42 2.847 -6.031 -1.318 1.00 0.00 O ATOM 630 CB TYR A 42 0.585 -4.434 -2.301 1.00 0.00 C ATOM 631 CG TYR A 42 -0.291 -3.751 -3.339 1.00 0.00 C ATOM 632 CD1 TYR A 42 -0.214 -2.356 -3.492 1.00 0.00 C ATOM 633 CD2 TYR A 42 -1.085 -4.499 -4.228 1.00 0.00 C ATOM 634 CE1 TYR A 42 -0.946 -1.703 -4.493 1.00 0.00 C ATOM 635 CE2 TYR A 42 -1.810 -3.852 -5.246 1.00 0.00 C ATOM 636 CZ TYR A 42 -1.759 -2.445 -5.376 1.00 0.00 C ATOM 637 OH TYR A 42 -2.471 -1.814 -6.352 1.00 0.00 O ATOM 0 H TYR A 42 1.819 -4.986 -4.319 1.00 0.00 H new ATOM 0 HA TYR A 42 2.144 -3.018 -2.217 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.463 -5.515 -2.375 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.260 -4.144 -1.302 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.417 -1.781 -2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.138 -5.573 -4.129 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.888 -0.629 -4.589 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.409 -4.433 -5.932 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.975 -2.476 -6.869 1.00 0.00 H new ATOM 647 N TYR A 43 4.088 -4.155 -1.148 1.00 0.00 N ATOM 648 CA TYR A 43 5.118 -4.701 -0.286 1.00 0.00 C ATOM 649 C TYR A 43 4.466 -5.183 1.012 1.00 0.00 C ATOM 650 O TYR A 43 3.813 -4.415 1.721 1.00 0.00 O ATOM 651 CB TYR A 43 6.180 -3.641 0.042 1.00 0.00 C ATOM 652 CG TYR A 43 7.200 -3.334 -1.037 1.00 0.00 C ATOM 653 CD1 TYR A 43 6.912 -2.526 -2.150 1.00 0.00 C ATOM 654 CD2 TYR A 43 8.508 -3.797 -0.862 1.00 0.00 C ATOM 655 CE1 TYR A 43 7.932 -2.197 -3.064 1.00 0.00 C ATOM 656 CE2 TYR A 43 9.543 -3.444 -1.729 1.00 0.00 C ATOM 657 CZ TYR A 43 9.252 -2.641 -2.847 1.00 0.00 C ATOM 658 OH TYR A 43 10.254 -2.299 -3.693 1.00 0.00 O ATOM 0 H TYR A 43 4.253 -3.181 -1.401 1.00 0.00 H new ATOM 0 HA TYR A 43 5.608 -5.528 -0.800 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.666 -2.714 0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 43 6.717 -3.964 0.934 1.00 0.00 H new ATOM 0 HD1 TYR A 43 5.909 -2.157 -2.305 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.724 -4.449 -0.029 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.702 -1.602 -3.935 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.552 -3.782 -1.545 1.00 0.00 H new ATOM 0 HH TYR A 43 10.062 -1.424 -4.090 1.00 0.00 H new ATOM 668 N TYR A 44 4.667 -6.448 1.343 1.00 0.00 N ATOM 669 CA TYR A 44 4.085 -7.114 2.488 1.00 0.00 C ATOM 670 C TYR A 44 4.995 -6.849 3.672 1.00 0.00 C ATOM 671 O TYR A 44 6.124 -7.337 3.747 1.00 0.00 O ATOM 672 CB TYR A 44 3.922 -8.606 2.196 1.00 0.00 C ATOM 673 CG TYR A 44 3.570 -9.476 3.389 1.00 0.00 C ATOM 674 CD1 TYR A 44 2.606 -9.082 4.342 1.00 0.00 C ATOM 675 CD2 TYR A 44 4.220 -10.713 3.533 1.00 0.00 C ATOM 676 CE1 TYR A 44 2.305 -9.924 5.430 1.00 0.00 C ATOM 677 CE2 TYR A 44 3.915 -11.562 4.604 1.00 0.00 C ATOM 678 CZ TYR A 44 2.949 -11.176 5.555 1.00 0.00 C ATOM 679 OH TYR A 44 2.679 -11.979 6.618 1.00 0.00 O ATOM 0 H TYR A 44 5.268 -7.063 0.794 1.00 0.00 H new ATOM 0 HA TYR A 44 3.088 -6.735 2.712 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.146 -8.727 1.440 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.851 -8.976 1.761 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.099 -8.134 4.237 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.964 -11.013 2.809 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.582 -9.613 6.169 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.420 -12.512 4.701 1.00 0.00 H new ATOM 0 HH TYR A 44 3.206 -12.802 6.548 1.00 0.00 H new ATOM 689 N ASN A 45 4.521 -6.012 4.583 1.00 0.00 N ATOM 690 CA ASN A 45 5.154 -5.774 5.861 1.00 0.00 C ATOM 691 C ASN A 45 4.726 -6.882 6.811 1.00 0.00 C ATOM 692 O ASN A 45 3.837 -6.669 7.639 1.00 0.00 O ATOM 693 CB ASN A 45 4.756 -4.385 6.360 1.00 0.00 C ATOM 694 CG ASN A 45 5.340 -4.103 7.729 1.00 0.00 C ATOM 695 OD1 ASN A 45 6.506 -4.372 7.995 1.00 0.00 O ATOM 696 ND2 ASN A 45 4.557 -3.534 8.626 1.00 0.00 N ATOM 0 H ASN A 45 3.667 -5.471 4.446 1.00 0.00 H new ATOM 0 HA ASN A 45 6.241 -5.791 5.786 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.100 -3.630 5.653 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.669 -4.309 6.403 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.920 -3.313 9.553 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.589 -3.315 8.392 1.00 0.00 H new ATOM 703 N ALA A 46 5.356 -8.060 6.695 1.00 0.00 N ATOM 704 CA ALA A 46 5.042 -9.228 7.515 1.00 0.00 C ATOM 705 C ALA A 46 5.086 -8.911 9.009 1.00 0.00 C ATOM 706 O ALA A 46 4.268 -9.413 9.775 1.00 0.00 O ATOM 707 CB ALA A 46 6.042 -10.336 7.192 1.00 0.00 C ATOM 0 H ALA A 46 6.104 -8.225 6.022 1.00 0.00 H new ATOM 0 HA ALA A 46 4.026 -9.546 7.283 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.819 -11.215 7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.969 -10.595 6.136 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.052 -9.990 7.412 1.00 0.00 H new ATOM 713 N GLN A 47 5.985 -7.998 9.378 1.00 0.00 N ATOM 714 CA GLN A 47 6.224 -7.457 10.702 1.00 0.00 C ATOM 715 C GLN A 47 4.891 -7.128 11.379 1.00 0.00 C ATOM 716 O GLN A 47 4.541 -7.741 12.387 1.00 0.00 O ATOM 717 CB GLN A 47 7.117 -6.211 10.512 1.00 0.00 C ATOM 718 CG GLN A 47 8.328 -6.116 11.432 1.00 0.00 C ATOM 719 CD GLN A 47 9.088 -4.837 11.077 1.00 0.00 C ATOM 720 OE1 GLN A 47 8.688 -3.737 11.465 1.00 0.00 O ATOM 721 NE2 GLN A 47 10.119 -4.929 10.250 1.00 0.00 N ATOM 0 H GLN A 47 6.617 -7.586 8.691 1.00 0.00 H new ATOM 0 HA GLN A 47 6.727 -8.170 11.355 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.466 -6.192 9.480 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.503 -5.322 10.657 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.014 -6.096 12.476 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.970 -6.988 11.309 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.441 -5.845 9.936 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.591 -4.084 9.927 1.00 0.00 H new ATOM 730 N SER A 48 4.123 -6.203 10.797 1.00 0.00 N ATOM 731 CA SER A 48 2.873 -5.694 11.352 1.00 0.00 C ATOM 732 C SER A 48 1.669 -6.244 10.567 1.00 0.00 C ATOM 733 O SER A 48 0.546 -5.754 10.707 1.00 0.00 O ATOM 734 CB SER A 48 2.952 -4.158 11.360 1.00 0.00 C ATOM 735 OG SER A 48 2.198 -3.586 12.409 1.00 0.00 O ATOM 0 H SER A 48 4.363 -5.778 9.902 1.00 0.00 H new ATOM 0 HA SER A 48 2.727 -6.033 12.378 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.993 -3.851 11.455 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.592 -3.773 10.406 1.00 0.00 H new ATOM 0 HG SER A 48 2.279 -2.610 12.376 1.00 0.00 H new ATOM 741 N GLN A 49 1.908 -7.236 9.701 1.00 0.00 N ATOM 742 CA GLN A 49 0.948 -7.865 8.798 1.00 0.00 C ATOM 743 C GLN A 49 0.123 -6.802 8.058 1.00 0.00 C ATOM 744 O GLN A 49 -1.102 -6.886 7.956 1.00 0.00 O ATOM 745 CB GLN A 49 0.105 -8.885 9.580 1.00 0.00 C ATOM 746 CG GLN A 49 0.960 -9.922 10.343 1.00 0.00 C ATOM 747 CD GLN A 49 0.277 -10.522 11.568 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.835 -10.153 11.950 1.00 0.00 O ATOM 749 NE2 GLN A 49 0.969 -11.416 12.250 1.00 0.00 N ATOM 0 H GLN A 49 2.838 -7.644 9.610 1.00 0.00 H new ATOM 0 HA GLN A 49 1.466 -8.421 8.017 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.530 -8.354 10.289 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.556 -9.407 8.888 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.227 -10.728 9.660 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.890 -9.448 10.656 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.888 -11.710 11.919 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.585 -11.813 13.108 1.00 0.00 H new ATOM 758 N GLN A 50 0.805 -5.733 7.640 1.00 0.00 N ATOM 759 CA GLN A 50 0.286 -4.648 6.829 1.00 0.00 C ATOM 760 C GLN A 50 0.788 -4.811 5.404 1.00 0.00 C ATOM 761 O GLN A 50 1.821 -5.437 5.153 1.00 0.00 O ATOM 762 CB GLN A 50 0.733 -3.283 7.387 1.00 0.00 C ATOM 763 CG GLN A 50 0.167 -2.921 8.767 1.00 0.00 C ATOM 764 CD GLN A 50 -1.327 -3.176 8.890 1.00 0.00 C ATOM 765 OE1 GLN A 50 -2.146 -2.302 8.625 1.00 0.00 O ATOM 766 NE2 GLN A 50 -1.696 -4.383 9.280 1.00 0.00 N ATOM 0 H GLN A 50 1.789 -5.602 7.876 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.803 -4.682 6.847 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.821 -3.271 7.445 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.443 -2.507 6.679 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.691 -3.497 9.529 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.367 -1.869 8.969 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.990 -5.088 9.493 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.687 -4.610 9.368 1.00 0.00 H new ATOM 775 N TYR A 51 0.095 -4.174 4.474 1.00 0.00 N ATOM 776 CA TYR A 51 0.511 -4.047 3.093 1.00 0.00 C ATOM 777 C TYR A 51 0.830 -2.584 2.868 1.00 0.00 C ATOM 778 O TYR A 51 0.055 -1.678 3.204 1.00 0.00 O ATOM 779 CB TYR A 51 -0.582 -4.523 2.130 1.00 0.00 C ATOM 780 CG TYR A 51 -0.706 -6.024 1.895 1.00 0.00 C ATOM 781 CD1 TYR A 51 -0.491 -6.960 2.927 1.00 0.00 C ATOM 782 CD2 TYR A 51 -1.125 -6.485 0.631 1.00 0.00 C ATOM 783 CE1 TYR A 51 -0.692 -8.331 2.706 1.00 0.00 C ATOM 784 CE2 TYR A 51 -1.357 -7.854 0.410 1.00 0.00 C ATOM 785 CZ TYR A 51 -1.151 -8.783 1.454 1.00 0.00 C ATOM 786 OH TYR A 51 -1.409 -10.106 1.283 1.00 0.00 O ATOM 0 H TYR A 51 -0.797 -3.719 4.668 1.00 0.00 H new ATOM 0 HA TYR A 51 1.382 -4.673 2.898 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.540 -4.160 2.502 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.413 -4.044 1.166 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.168 -6.618 3.899 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.269 -5.781 -0.175 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.495 -9.040 3.497 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.693 -8.195 -0.558 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.719 -10.263 0.367 1.00 0.00 H new ATOM 796 N LEU A 52 2.006 -2.357 2.312 1.00 0.00 N ATOM 797 CA LEU A 52 2.560 -1.065 1.993 1.00 0.00 C ATOM 798 C LEU A 52 2.765 -1.019 0.490 1.00 0.00 C ATOM 799 O LEU A 52 2.554 -2.010 -0.202 1.00 0.00 O ATOM 800 CB LEU A 52 3.895 -0.871 2.728 1.00 0.00 C ATOM 801 CG LEU A 52 3.850 -1.136 4.243 1.00 0.00 C ATOM 802 CD1 LEU A 52 5.246 -0.906 4.795 1.00 0.00 C ATOM 803 CD2 LEU A 52 2.898 -0.223 5.014 1.00 0.00 C ATOM 0 H LEU A 52 2.634 -3.120 2.058 1.00 0.00 H new ATOM 0 HA LEU A 52 1.890 -0.265 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.638 -1.532 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.238 0.151 2.563 1.00 0.00 H new ATOM 0 HG LEU A 52 3.490 -2.157 4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.247 -1.087 5.870 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.945 -1.589 4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.550 0.122 4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.928 -0.478 6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.202 0.815 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.883 -0.354 4.638 1.00 0.00 H new ATOM 815 N TYR A 53 3.222 0.105 -0.030 1.00 0.00 N ATOM 816 CA TYR A 53 3.872 0.163 -1.315 1.00 0.00 C ATOM 817 C TYR A 53 5.010 1.171 -1.188 1.00 0.00 C ATOM 818 O TYR A 53 5.000 2.043 -0.307 1.00 0.00 O ATOM 819 CB TYR A 53 2.850 0.449 -2.425 1.00 0.00 C ATOM 820 CG TYR A 53 2.294 1.856 -2.518 1.00 0.00 C ATOM 821 CD1 TYR A 53 1.372 2.357 -1.578 1.00 0.00 C ATOM 822 CD2 TYR A 53 2.674 2.655 -3.606 1.00 0.00 C ATOM 823 CE1 TYR A 53 0.836 3.650 -1.720 1.00 0.00 C ATOM 824 CE2 TYR A 53 2.180 3.956 -3.736 1.00 0.00 C ATOM 825 CZ TYR A 53 1.274 4.472 -2.788 1.00 0.00 C ATOM 826 OH TYR A 53 0.889 5.775 -2.899 1.00 0.00 O ATOM 0 H TYR A 53 3.149 1.009 0.437 1.00 0.00 H new ATOM 0 HA TYR A 53 4.310 -0.790 -1.613 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.315 0.207 -3.381 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.012 -0.236 -2.296 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.074 1.743 -0.741 1.00 0.00 H new ATOM 0 HD2 TYR A 53 3.353 2.262 -4.348 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.097 4.013 -1.021 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.494 4.569 -4.568 1.00 0.00 H new ATOM 0 HH TYR A 53 1.534 6.261 -3.454 1.00 0.00 H new ATOM 836 N TRP A 54 6.027 1.003 -2.022 1.00 0.00 N ATOM 837 CA TRP A 54 7.083 1.973 -2.203 1.00 0.00 C ATOM 838 C TRP A 54 6.496 3.084 -3.056 1.00 0.00 C ATOM 839 O TRP A 54 5.809 2.799 -4.038 1.00 0.00 O ATOM 840 CB TRP A 54 8.254 1.291 -2.922 1.00 0.00 C ATOM 841 CG TRP A 54 9.315 2.204 -3.445 1.00 0.00 C ATOM 842 CD1 TRP A 54 9.800 2.205 -4.705 1.00 0.00 C ATOM 843 CD2 TRP A 54 10.011 3.274 -2.750 1.00 0.00 C ATOM 844 NE1 TRP A 54 10.753 3.195 -4.839 1.00 0.00 N ATOM 845 CE2 TRP A 54 10.903 3.906 -3.666 1.00 0.00 C ATOM 846 CE3 TRP A 54 9.974 3.766 -1.431 1.00 0.00 C ATOM 847 CZ2 TRP A 54 11.709 4.987 -3.285 1.00 0.00 C ATOM 848 CZ3 TRP A 54 10.791 4.834 -1.035 1.00 0.00 C ATOM 849 CH2 TRP A 54 11.660 5.441 -1.957 1.00 0.00 C ATOM 0 H TRP A 54 6.138 0.170 -2.600 1.00 0.00 H new ATOM 0 HA TRP A 54 7.452 2.374 -1.259 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.716 0.584 -2.234 1.00 0.00 H new ATOM 0 HB3 TRP A 54 7.857 0.711 -3.755 1.00 0.00 H new ATOM 0 HD1 TRP A 54 9.489 1.532 -5.490 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.278 3.377 -5.694 1.00 0.00 H new ATOM 0 HE3 TRP A 54 9.306 3.313 -0.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 12.359 5.465 -4.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 10.752 5.192 -0.017 1.00 0.00 H new ATOM 0 HH2 TRP A 54 12.292 6.259 -1.644 1.00 0.00 H new ATOM 860 N ASP A 55 6.758 4.348 -2.721 1.00 0.00 N ATOM 861 CA ASP A 55 6.311 5.446 -3.561 1.00 0.00 C ATOM 862 C ASP A 55 7.450 6.405 -3.793 1.00 0.00 C ATOM 863 O ASP A 55 7.811 7.224 -2.941 1.00 0.00 O ATOM 864 CB ASP A 55 5.049 6.114 -3.020 1.00 0.00 C ATOM 865 CG ASP A 55 4.090 6.592 -4.108 1.00 0.00 C ATOM 866 OD1 ASP A 55 4.321 6.296 -5.303 1.00 0.00 O ATOM 867 OD2 ASP A 55 3.017 7.110 -3.722 1.00 0.00 O ATOM 0 H ASP A 55 7.270 4.629 -1.885 1.00 0.00 H new ATOM 0 HA ASP A 55 6.015 5.049 -4.532 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.526 5.411 -2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.336 6.965 -2.402 1.00 0.00 H new ATOM 872 N GLY A 56 8.057 6.244 -4.964 1.00 0.00 N ATOM 873 CA GLY A 56 9.242 6.964 -5.361 1.00 0.00 C ATOM 874 C GLY A 56 9.008 8.459 -5.529 1.00 0.00 C ATOM 875 O GLY A 56 9.998 9.169 -5.690 1.00 0.00 O ATOM 0 H GLY A 56 7.724 5.592 -5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.022 6.806 -4.616 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.611 6.553 -6.301 1.00 0.00 H new ATOM 879 N GLU A 57 7.768 8.960 -5.475 1.00 0.00 N ATOM 880 CA GLU A 57 7.536 10.397 -5.577 1.00 0.00 C ATOM 881 C GLU A 57 7.997 11.030 -4.266 1.00 0.00 C ATOM 882 O GLU A 57 8.996 11.740 -4.194 1.00 0.00 O ATOM 883 CB GLU A 57 6.066 10.705 -5.924 1.00 0.00 C ATOM 884 CG GLU A 57 4.999 9.788 -5.295 1.00 0.00 C ATOM 885 CD GLU A 57 3.612 10.434 -5.301 1.00 0.00 C ATOM 886 OE1 GLU A 57 3.070 10.710 -6.398 1.00 0.00 O ATOM 887 OE2 GLU A 57 3.081 10.704 -4.201 1.00 0.00 O ATOM 0 H GLU A 57 6.924 8.398 -5.363 1.00 0.00 H new ATOM 0 HA GLU A 57 8.110 10.829 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.853 11.731 -5.623 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.956 10.661 -7.008 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.962 8.846 -5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.284 9.550 -4.270 1.00 0.00 H new ATOM 894 N ARG A 58 7.313 10.680 -3.184 1.00 0.00 N ATOM 895 CA ARG A 58 7.588 11.143 -1.832 1.00 0.00 C ATOM 896 C ARG A 58 8.822 10.467 -1.241 1.00 0.00 C ATOM 897 O ARG A 58 9.248 10.847 -0.149 1.00 0.00 O ATOM 898 CB ARG A 58 6.341 10.846 -0.995 1.00 0.00 C ATOM 899 CG ARG A 58 5.119 11.627 -1.504 1.00 0.00 C ATOM 900 CD ARG A 58 3.829 11.075 -0.899 1.00 0.00 C ATOM 901 NE ARG A 58 2.716 12.030 -1.015 1.00 0.00 N ATOM 902 CZ ARG A 58 1.419 11.721 -0.910 1.00 0.00 C ATOM 903 NH1 ARG A 58 1.032 10.488 -0.620 1.00 0.00 N ATOM 904 NH2 ARG A 58 0.488 12.656 -1.046 1.00 0.00 N ATOM 0 H ARG A 58 6.520 10.040 -3.227 1.00 0.00 H new ATOM 0 HA ARG A 58 7.806 12.211 -1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.129 9.777 -1.024 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.531 11.105 0.047 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.224 12.681 -1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.071 11.566 -2.591 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.562 10.144 -1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.994 10.836 0.152 1.00 0.00 H new ATOM 0 HE ARG A 58 2.953 13.007 -1.190 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.727 9.757 -0.473 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.039 10.270 -0.544 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.758 13.622 -1.233 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.498 12.409 -0.964 1.00 0.00 H new ATOM 918 N ARG A 59 9.393 9.471 -1.929 1.00 0.00 N ATOM 919 CA ARG A 59 10.476 8.607 -1.469 1.00 0.00 C ATOM 920 C ARG A 59 10.217 8.138 -0.038 1.00 0.00 C ATOM 921 O ARG A 59 11.056 8.324 0.844 1.00 0.00 O ATOM 922 CB ARG A 59 11.853 9.272 -1.659 1.00 0.00 C ATOM 923 CG ARG A 59 12.227 9.467 -3.135 1.00 0.00 C ATOM 924 CD ARG A 59 13.562 10.211 -3.238 1.00 0.00 C ATOM 925 NE ARG A 59 14.084 10.227 -4.612 1.00 0.00 N ATOM 926 CZ ARG A 59 15.351 10.500 -4.942 1.00 0.00 C ATOM 927 NH1 ARG A 59 16.222 10.920 -4.032 1.00 0.00 N ATOM 928 NH2 ARG A 59 15.769 10.350 -6.189 1.00 0.00 N ATOM 0 H ARG A 59 9.091 9.237 -2.875 1.00 0.00 H new ATOM 0 HA ARG A 59 10.498 7.712 -2.091 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.855 10.240 -1.159 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.615 8.661 -1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.300 8.500 -3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.446 10.030 -3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.433 11.235 -2.888 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.291 9.739 -2.580 1.00 0.00 H new ATOM 0 HE ARG A 59 13.433 10.015 -5.368 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.929 11.039 -3.062 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.184 11.123 -4.303 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.123 10.024 -6.908 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.737 10.561 -6.431 1.00 0.00 H new ATOM 942 N THR A 60 9.069 7.505 0.194 1.00 0.00 N ATOM 943 CA THR A 60 8.815 6.786 1.433 1.00 0.00 C ATOM 944 C THR A 60 7.932 5.577 1.140 1.00 0.00 C ATOM 945 O THR A 60 7.323 5.476 0.072 1.00 0.00 O ATOM 946 CB THR A 60 8.272 7.746 2.516 1.00 0.00 C ATOM 947 OG1 THR A 60 8.315 7.148 3.802 1.00 0.00 O ATOM 948 CG2 THR A 60 6.859 8.265 2.239 1.00 0.00 C ATOM 0 H THR A 60 8.295 7.478 -0.470 1.00 0.00 H new ATOM 0 HA THR A 60 9.740 6.391 1.853 1.00 0.00 H new ATOM 0 HB THR A 60 8.937 8.609 2.486 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.141 6.629 3.894 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.552 8.932 3.045 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.850 8.809 1.295 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.168 7.424 2.180 1.00 0.00 H new ATOM 956 N TYR A 61 7.887 4.650 2.095 1.00 0.00 N ATOM 957 CA TYR A 61 6.902 3.585 2.113 1.00 0.00 C ATOM 958 C TYR A 61 5.628 4.161 2.706 1.00 0.00 C ATOM 959 O TYR A 61 5.661 4.894 3.702 1.00 0.00 O ATOM 960 CB TYR A 61 7.418 2.385 2.918 1.00 0.00 C ATOM 961 CG TYR A 61 8.345 1.506 2.101 1.00 0.00 C ATOM 962 CD1 TYR A 61 9.658 1.922 1.809 1.00 0.00 C ATOM 963 CD2 TYR A 61 7.863 0.297 1.566 1.00 0.00 C ATOM 964 CE1 TYR A 61 10.476 1.143 0.973 1.00 0.00 C ATOM 965 CE2 TYR A 61 8.685 -0.496 0.751 1.00 0.00 C ATOM 966 CZ TYR A 61 9.997 -0.080 0.447 1.00 0.00 C ATOM 967 OH TYR A 61 10.790 -0.852 -0.344 1.00 0.00 O ATOM 0 H TYR A 61 8.539 4.622 2.879 1.00 0.00 H new ATOM 0 HA TYR A 61 6.705 3.216 1.107 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.944 2.742 3.803 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.572 1.793 3.268 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.037 2.842 2.229 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.855 -0.022 1.784 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.474 1.479 0.731 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.311 -1.429 0.355 1.00 0.00 H new ATOM 0 HH TYR A 61 10.254 -1.568 -0.744 1.00 0.00 H new ATOM 977 N VAL A 62 4.507 3.842 2.081 1.00 0.00 N ATOM 978 CA VAL A 62 3.165 4.213 2.499 1.00 0.00 C ATOM 979 C VAL A 62 2.316 2.954 2.602 1.00 0.00 C ATOM 980 O VAL A 62 2.605 1.987 1.902 1.00 0.00 O ATOM 981 CB VAL A 62 2.550 5.221 1.507 1.00 0.00 C ATOM 982 CG1 VAL A 62 2.759 6.651 2.010 1.00 0.00 C ATOM 983 CG2 VAL A 62 3.127 5.094 0.088 1.00 0.00 C ATOM 0 H VAL A 62 4.508 3.289 1.224 1.00 0.00 H new ATOM 0 HA VAL A 62 3.203 4.698 3.475 1.00 0.00 H new ATOM 0 HB VAL A 62 1.486 4.989 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.321 7.354 1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.279 6.769 2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.826 6.851 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.655 5.829 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.202 5.270 0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.933 4.092 -0.295 1.00 0.00 H new ATOM 993 N PRO A 63 1.257 2.943 3.418 1.00 0.00 N ATOM 994 CA PRO A 63 0.310 1.844 3.432 1.00 0.00 C ATOM 995 C PRO A 63 -0.470 1.818 2.116 1.00 0.00 C ATOM 996 O PRO A 63 -0.937 2.853 1.642 1.00 0.00 O ATOM 997 CB PRO A 63 -0.565 2.082 4.653 1.00 0.00 C ATOM 998 CG PRO A 63 -0.502 3.590 4.864 1.00 0.00 C ATOM 999 CD PRO A 63 0.881 3.981 4.361 1.00 0.00 C ATOM 0 HA PRO A 63 0.782 0.864 3.505 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.588 1.745 4.483 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.192 1.541 5.523 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.287 4.103 4.309 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.632 3.851 5.914 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.862 4.959 3.881 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.595 4.043 5.182 1.00 0.00 H new ATOM 1007 N ALA A 64 -0.636 0.628 1.538 1.00 0.00 N ATOM 1008 CA ALA A 64 -1.323 0.423 0.263 1.00 0.00 C ATOM 1009 C ALA A 64 -2.780 -0.003 0.440 1.00 0.00 C ATOM 1010 O ALA A 64 -3.370 -0.583 -0.467 1.00 0.00 O ATOM 1011 CB ALA A 64 -0.566 -0.602 -0.570 1.00 0.00 C ATOM 0 H ALA A 64 -0.290 -0.238 1.952 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.339 1.381 -0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.081 -0.752 -1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.445 -0.242 -0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.519 -1.547 -0.029 1.00 0.00 H new