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 180:sc= 0 USER MOD Set 1.2: A 61 TYR OH : rot 165:sc= 0 USER MOD Set 2.1: A 36 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 41 GLN : amide:sc= -1.58! C(o=-1.6!,f=-2.7!) USER MOD Set 3.1: A 18 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 43 TYR OH : rot 30:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 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= -0.0454 K(o=-0.045,f=-2) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.02) USER MOD Single : A 40 SER OG : rot 180:sc= 0 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= -0.167 K(o=-0.17,f=-1.6) 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 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.899 X(o=-0.9,f=-0.67) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 10 10.190 9.405 -1.290 1.00 0.00 N ATOM 135 CA TYR A 10 10.803 8.092 -1.445 1.00 0.00 C ATOM 136 C TYR A 10 11.566 7.995 -2.776 1.00 0.00 C ATOM 137 O TYR A 10 11.267 8.736 -3.723 1.00 0.00 O ATOM 138 CB TYR A 10 9.717 7.021 -1.358 1.00 0.00 C ATOM 139 CG TYR A 10 9.374 6.616 0.058 1.00 0.00 C ATOM 140 CD1 TYR A 10 8.535 7.433 0.832 1.00 0.00 C ATOM 141 CD2 TYR A 10 9.936 5.453 0.619 1.00 0.00 C ATOM 142 CE1 TYR A 10 8.259 7.093 2.165 1.00 0.00 C ATOM 143 CE2 TYR A 10 9.678 5.117 1.961 1.00 0.00 C ATOM 144 CZ TYR A 10 8.845 5.947 2.744 1.00 0.00 C ATOM 145 OH TYR A 10 8.612 5.647 4.052 1.00 0.00 O ATOM 0 HA TYR A 10 11.526 7.936 -0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.816 7.389 -1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.044 6.139 -1.910 1.00 0.00 H new ATOM 0 HD1 TYR A 10 8.102 8.324 0.401 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.567 4.816 0.017 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.595 7.711 2.751 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.115 4.228 2.391 1.00 0.00 H new ATOM 0 HH TYR A 10 9.090 4.825 4.289 1.00 0.00 H new ATOM 155 N PRO A 11 12.529 7.063 -2.880 1.00 0.00 N ATOM 156 CA PRO A 11 13.167 6.702 -4.137 1.00 0.00 C ATOM 157 C PRO A 11 12.226 5.824 -4.980 1.00 0.00 C ATOM 158 O PRO A 11 11.105 5.534 -4.566 1.00 0.00 O ATOM 159 CB PRO A 11 14.439 5.973 -3.708 1.00 0.00 C ATOM 160 CG PRO A 11 13.990 5.215 -2.463 1.00 0.00 C ATOM 161 CD PRO A 11 13.045 6.220 -1.804 1.00 0.00 C ATOM 0 HA PRO A 11 13.399 7.556 -4.774 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.800 5.298 -4.484 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.249 6.668 -3.488 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.484 4.282 -2.713 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.829 4.959 -1.816 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.233 5.709 -1.287 1.00 0.00 H new ATOM 0 HD3 PRO A 11 13.571 6.818 -1.060 1.00 0.00 H new ATOM 169 N VAL A 12 12.690 5.379 -6.150 1.00 0.00 N ATOM 170 CA VAL A 12 11.926 4.703 -7.200 1.00 0.00 C ATOM 171 C VAL A 12 12.365 3.224 -7.253 1.00 0.00 C ATOM 172 O VAL A 12 13.425 2.938 -7.820 1.00 0.00 O ATOM 173 CB VAL A 12 12.039 5.466 -8.539 1.00 0.00 C ATOM 174 CG1 VAL A 12 11.034 4.924 -9.565 1.00 0.00 C ATOM 175 CG2 VAL A 12 11.761 6.972 -8.366 1.00 0.00 C ATOM 0 H VAL A 12 13.672 5.488 -6.405 1.00 0.00 H new ATOM 0 HA VAL A 12 10.859 4.706 -6.977 1.00 0.00 H new ATOM 0 HB VAL A 12 13.061 5.319 -8.888 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.133 5.477 -10.499 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.233 3.868 -9.746 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.021 5.042 -9.179 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.851 7.472 -9.331 1.00 0.00 H new ATOM 0 HG22 VAL A 12 10.753 7.113 -7.976 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.483 7.397 -7.669 1.00 0.00 H new ATOM 185 N PRO A 13 11.751 2.324 -6.456 1.00 0.00 N ATOM 186 CA PRO A 13 12.158 0.926 -6.316 1.00 0.00 C ATOM 187 C PRO A 13 11.707 0.078 -7.519 1.00 0.00 C ATOM 188 O PRO A 13 11.074 0.602 -8.439 1.00 0.00 O ATOM 189 CB PRO A 13 11.470 0.485 -5.019 1.00 0.00 C ATOM 190 CG PRO A 13 10.124 1.200 -5.093 1.00 0.00 C ATOM 191 CD PRO A 13 10.506 2.537 -5.724 1.00 0.00 C ATOM 0 HA PRO A 13 13.240 0.802 -6.283 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.351 -0.597 -4.971 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.038 0.782 -4.138 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.405 0.653 -5.702 1.00 0.00 H new ATOM 0 HG3 PRO A 13 9.676 1.328 -4.108 1.00 0.00 H new ATOM 0 HD2 PRO A 13 9.720 2.886 -6.394 1.00 0.00 H new ATOM 0 HD3 PRO A 13 10.635 3.302 -4.958 1.00 0.00 H new ATOM 199 N ASP A 14 11.978 -1.233 -7.515 1.00 0.00 N ATOM 200 CA ASP A 14 11.344 -2.162 -8.458 1.00 0.00 C ATOM 201 C ASP A 14 11.272 -3.560 -7.849 1.00 0.00 C ATOM 202 O ASP A 14 12.225 -4.002 -7.211 1.00 0.00 O ATOM 203 CB ASP A 14 12.133 -2.219 -9.778 1.00 0.00 C ATOM 204 CG ASP A 14 11.303 -2.736 -10.958 1.00 0.00 C ATOM 205 OD1 ASP A 14 10.172 -3.237 -10.749 1.00 0.00 O ATOM 206 OD2 ASP A 14 11.780 -2.603 -12.109 1.00 0.00 O ATOM 0 H ASP A 14 12.632 -1.674 -6.869 1.00 0.00 H new ATOM 0 HA ASP A 14 10.336 -1.803 -8.664 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.506 -1.222 -10.014 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.003 -2.862 -9.646 1.00 0.00 H new ATOM 211 N VAL A 15 10.192 -4.305 -8.088 1.00 0.00 N ATOM 212 CA VAL A 15 10.088 -5.700 -7.654 1.00 0.00 C ATOM 213 C VAL A 15 11.163 -6.571 -8.334 1.00 0.00 C ATOM 214 O VAL A 15 11.549 -7.621 -7.814 1.00 0.00 O ATOM 215 CB VAL A 15 8.634 -6.193 -7.837 1.00 0.00 C ATOM 216 CG1 VAL A 15 8.216 -6.251 -9.311 1.00 0.00 C ATOM 217 CG2 VAL A 15 8.377 -7.558 -7.185 1.00 0.00 C ATOM 0 H VAL A 15 9.370 -3.962 -8.584 1.00 0.00 H new ATOM 0 HA VAL A 15 10.302 -5.785 -6.589 1.00 0.00 H new ATOM 0 HB VAL A 15 8.023 -5.449 -7.326 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.187 -6.603 -9.384 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.291 -5.256 -9.750 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.873 -6.935 -9.849 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.339 -7.849 -7.348 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.037 -8.303 -7.629 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.572 -7.492 -6.115 1.00 0.00 H new ATOM 227 N SER A 16 11.730 -6.114 -9.453 1.00 0.00 N ATOM 228 CA SER A 16 12.854 -6.747 -10.136 1.00 0.00 C ATOM 229 C SER A 16 14.119 -6.873 -9.270 1.00 0.00 C ATOM 230 O SER A 16 15.030 -7.599 -9.666 1.00 0.00 O ATOM 231 CB SER A 16 13.137 -5.963 -11.421 1.00 0.00 C ATOM 232 OG SER A 16 11.928 -5.858 -12.155 1.00 0.00 O ATOM 0 H SER A 16 11.407 -5.267 -9.921 1.00 0.00 H new ATOM 0 HA SER A 16 12.572 -7.775 -10.364 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.524 -4.972 -11.184 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.899 -6.469 -12.014 1.00 0.00 H new ATOM 0 HG SER A 16 12.090 -5.357 -12.982 1.00 0.00 H new ATOM 238 N THR A 17 14.194 -6.240 -8.093 1.00 0.00 N ATOM 239 CA THR A 17 15.341 -6.350 -7.194 1.00 0.00 C ATOM 240 C THR A 17 14.943 -7.020 -5.860 1.00 0.00 C ATOM 241 O THR A 17 15.741 -7.051 -4.917 1.00 0.00 O ATOM 242 CB THR A 17 16.025 -4.963 -7.141 1.00 0.00 C ATOM 243 OG1 THR A 17 17.396 -5.017 -6.806 1.00 0.00 O ATOM 244 CG2 THR A 17 15.365 -3.891 -6.270 1.00 0.00 C ATOM 0 H THR A 17 13.454 -5.634 -7.739 1.00 0.00 H new ATOM 0 HA THR A 17 16.107 -7.036 -7.555 1.00 0.00 H new ATOM 0 HB THR A 17 15.894 -4.649 -8.176 1.00 0.00 H new ATOM 0 HG1 THR A 17 17.765 -4.109 -6.792 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.946 -2.970 -6.323 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.353 -3.703 -6.629 1.00 0.00 H new ATOM 0 HG23 THR A 17 15.325 -4.235 -5.237 1.00 0.00 H new ATOM 252 N TYR A 18 13.726 -7.572 -5.749 1.00 0.00 N ATOM 253 CA TYR A 18 13.214 -8.203 -4.531 1.00 0.00 C ATOM 254 C TYR A 18 13.564 -9.689 -4.473 1.00 0.00 C ATOM 255 O TYR A 18 13.974 -10.285 -5.475 1.00 0.00 O ATOM 256 CB TYR A 18 11.694 -8.000 -4.444 1.00 0.00 C ATOM 257 CG TYR A 18 11.240 -6.570 -4.217 1.00 0.00 C ATOM 258 CD1 TYR A 18 12.154 -5.504 -4.119 1.00 0.00 C ATOM 259 CD2 TYR A 18 9.866 -6.304 -4.140 1.00 0.00 C ATOM 260 CE1 TYR A 18 11.698 -4.182 -4.079 1.00 0.00 C ATOM 261 CE2 TYR A 18 9.395 -4.980 -4.131 1.00 0.00 C ATOM 262 CZ TYR A 18 10.312 -3.908 -4.122 1.00 0.00 C ATOM 263 OH TYR A 18 9.868 -2.623 -4.090 1.00 0.00 O ATOM 0 H TYR A 18 13.059 -7.591 -6.521 1.00 0.00 H new ATOM 0 HA TYR A 18 13.691 -7.727 -3.674 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.243 -8.364 -5.367 1.00 0.00 H new ATOM 0 HB3 TYR A 18 11.308 -8.619 -3.634 1.00 0.00 H new ATOM 0 HD1 TYR A 18 13.214 -5.708 -4.074 1.00 0.00 H new ATOM 0 HD2 TYR A 18 9.164 -7.123 -4.087 1.00 0.00 H new ATOM 0 HE1 TYR A 18 12.406 -3.369 -4.015 1.00 0.00 H new ATOM 0 HE2 TYR A 18 8.333 -4.784 -4.131 1.00 0.00 H new ATOM 0 HH TYR A 18 8.889 -2.614 -4.129 1.00 0.00 H new ATOM 273 N GLN A 19 13.364 -10.278 -3.295 1.00 0.00 N ATOM 274 CA GLN A 19 13.446 -11.716 -3.080 1.00 0.00 C ATOM 275 C GLN A 19 12.023 -12.264 -3.104 1.00 0.00 C ATOM 276 O GLN A 19 11.171 -11.745 -2.395 1.00 0.00 O ATOM 277 CB GLN A 19 14.098 -12.021 -1.719 1.00 0.00 C ATOM 278 CG GLN A 19 15.599 -11.698 -1.665 1.00 0.00 C ATOM 279 CD GLN A 19 16.304 -12.392 -0.497 1.00 0.00 C ATOM 280 OE1 GLN A 19 16.496 -13.609 -0.496 1.00 0.00 O ATOM 281 NE2 GLN A 19 16.749 -11.660 0.512 1.00 0.00 N ATOM 0 H GLN A 19 13.136 -9.756 -2.449 1.00 0.00 H new ATOM 0 HA GLN A 19 14.055 -12.179 -3.856 1.00 0.00 H new ATOM 0 HB2 GLN A 19 13.585 -11.451 -0.945 1.00 0.00 H new ATOM 0 HB3 GLN A 19 13.954 -13.076 -1.486 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.067 -12.003 -2.601 1.00 0.00 H new ATOM 0 HG3 GLN A 19 15.733 -10.620 -1.578 1.00 0.00 H new ATOM 0 HE21 GLN A 19 16.594 -10.652 0.518 1.00 0.00 H new ATOM 0 HE22 GLN A 19 17.247 -12.104 1.283 1.00 0.00 H new ATOM 290 N TYR A 20 11.742 -13.310 -3.878 1.00 0.00 N ATOM 291 CA TYR A 20 10.546 -14.121 -3.653 1.00 0.00 C ATOM 292 C TYR A 20 10.763 -14.982 -2.406 1.00 0.00 C ATOM 293 O TYR A 20 11.901 -15.397 -2.141 1.00 0.00 O ATOM 294 CB TYR A 20 10.301 -14.997 -4.882 1.00 0.00 C ATOM 295 CG TYR A 20 9.123 -15.948 -4.781 1.00 0.00 C ATOM 296 CD1 TYR A 20 7.803 -15.456 -4.719 1.00 0.00 C ATOM 297 CD2 TYR A 20 9.354 -17.335 -4.777 1.00 0.00 C ATOM 298 CE1 TYR A 20 6.716 -16.351 -4.662 1.00 0.00 C ATOM 299 CE2 TYR A 20 8.276 -18.230 -4.746 1.00 0.00 C ATOM 300 CZ TYR A 20 6.952 -17.747 -4.668 1.00 0.00 C ATOM 301 OH TYR A 20 5.933 -18.645 -4.572 1.00 0.00 O ATOM 0 H TYR A 20 12.321 -13.615 -4.661 1.00 0.00 H new ATOM 0 HA TYR A 20 9.673 -13.487 -3.497 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.149 -14.348 -5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 20 11.201 -15.580 -5.076 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.625 -14.391 -4.715 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.366 -17.712 -4.798 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.705 -15.973 -4.614 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.459 -19.294 -4.782 1.00 0.00 H new ATOM 0 HH TYR A 20 6.296 -19.555 -4.595 1.00 0.00 H new ATOM 311 N ASP A 21 9.701 -15.319 -1.673 1.00 0.00 N ATOM 312 CA ASP A 21 9.767 -16.208 -0.523 1.00 0.00 C ATOM 313 C ASP A 21 8.752 -17.318 -0.744 1.00 0.00 C ATOM 314 O ASP A 21 7.562 -17.169 -0.458 1.00 0.00 O ATOM 315 CB ASP A 21 9.603 -15.434 0.803 1.00 0.00 C ATOM 316 CG ASP A 21 10.851 -15.547 1.687 1.00 0.00 C ATOM 317 OD1 ASP A 21 11.442 -16.649 1.799 1.00 0.00 O ATOM 318 OD2 ASP A 21 11.286 -14.526 2.263 1.00 0.00 O ATOM 0 H ASP A 21 8.761 -14.975 -1.868 1.00 0.00 H new ATOM 0 HA ASP A 21 10.751 -16.667 -0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.403 -14.384 0.589 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.738 -15.819 1.344 1.00 0.00 H new ATOM 323 N GLU A 22 9.227 -18.428 -1.313 1.00 0.00 N ATOM 324 CA GLU A 22 8.431 -19.614 -1.624 1.00 0.00 C ATOM 325 C GLU A 22 7.707 -20.174 -0.402 1.00 0.00 C ATOM 326 O GLU A 22 6.626 -20.731 -0.570 1.00 0.00 O ATOM 327 CB GLU A 22 9.257 -20.727 -2.304 1.00 0.00 C ATOM 328 CG GLU A 22 10.692 -20.933 -1.803 1.00 0.00 C ATOM 329 CD GLU A 22 10.991 -22.400 -1.497 1.00 0.00 C ATOM 330 OE1 GLU A 22 11.123 -23.191 -2.458 1.00 0.00 O ATOM 331 OE2 GLU A 22 11.070 -22.767 -0.306 1.00 0.00 O ATOM 0 H GLU A 22 10.207 -18.528 -1.578 1.00 0.00 H new ATOM 0 HA GLU A 22 7.679 -19.271 -2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.719 -21.668 -2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.298 -20.514 -3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.393 -20.570 -2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.851 -20.336 -0.905 1.00 0.00 H new ATOM 338 N THR A 23 8.244 -19.963 0.797 1.00 0.00 N ATOM 339 CA THR A 23 7.639 -20.298 2.079 1.00 0.00 C ATOM 340 C THR A 23 6.204 -19.762 2.207 1.00 0.00 C ATOM 341 O THR A 23 5.392 -20.391 2.887 1.00 0.00 O ATOM 342 CB THR A 23 8.584 -19.776 3.183 1.00 0.00 C ATOM 343 OG1 THR A 23 8.208 -20.150 4.491 1.00 0.00 O ATOM 344 CG2 THR A 23 8.721 -18.246 3.193 1.00 0.00 C ATOM 0 H THR A 23 9.162 -19.531 0.904 1.00 0.00 H new ATOM 0 HA THR A 23 7.528 -21.378 2.175 1.00 0.00 H new ATOM 0 HB THR A 23 9.531 -20.248 2.921 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.852 -19.786 5.133 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.399 -17.947 3.992 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.119 -17.910 2.235 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.743 -17.794 3.358 1.00 0.00 H new ATOM 352 N SER A 24 5.878 -18.631 1.567 1.00 0.00 N ATOM 353 CA SER A 24 4.593 -17.966 1.752 1.00 0.00 C ATOM 354 C SER A 24 3.982 -17.420 0.458 1.00 0.00 C ATOM 355 O SER A 24 2.798 -17.077 0.466 1.00 0.00 O ATOM 356 CB SER A 24 4.747 -16.857 2.798 1.00 0.00 C ATOM 357 OG SER A 24 5.259 -17.373 4.014 1.00 0.00 O ATOM 0 H SER A 24 6.499 -18.158 0.910 1.00 0.00 H new ATOM 0 HA SER A 24 3.889 -18.721 2.101 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.414 -16.084 2.418 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.781 -16.385 2.977 1.00 0.00 H new ATOM 0 HG SER A 24 5.350 -16.646 4.665 1.00 0.00 H new ATOM 363 N GLY A 25 4.735 -17.340 -0.648 1.00 0.00 N ATOM 364 CA GLY A 25 4.148 -16.944 -1.923 1.00 0.00 C ATOM 365 C GLY A 25 3.915 -15.436 -1.992 1.00 0.00 C ATOM 366 O GLY A 25 2.894 -14.983 -2.514 1.00 0.00 O ATOM 0 H GLY A 25 5.734 -17.542 -0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.806 -17.248 -2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.202 -17.466 -2.066 1.00 0.00 H new ATOM 370 N TYR A 26 4.869 -14.668 -1.460 1.00 0.00 N ATOM 371 CA TYR A 26 4.982 -13.216 -1.562 1.00 0.00 C ATOM 372 C TYR A 26 6.407 -12.901 -2.034 1.00 0.00 C ATOM 373 O TYR A 26 7.270 -13.782 -2.068 1.00 0.00 O ATOM 374 CB TYR A 26 4.706 -12.551 -0.201 1.00 0.00 C ATOM 375 CG TYR A 26 3.276 -12.092 0.024 1.00 0.00 C ATOM 376 CD1 TYR A 26 2.234 -13.027 0.160 1.00 0.00 C ATOM 377 CD2 TYR A 26 2.989 -10.715 0.107 1.00 0.00 C ATOM 378 CE1 TYR A 26 0.917 -12.593 0.397 1.00 0.00 C ATOM 379 CE2 TYR A 26 1.678 -10.273 0.357 1.00 0.00 C ATOM 380 CZ TYR A 26 0.633 -11.211 0.504 1.00 0.00 C ATOM 381 OH TYR A 26 -0.632 -10.779 0.756 1.00 0.00 O ATOM 0 H TYR A 26 5.629 -15.072 -0.913 1.00 0.00 H new ATOM 0 HA TYR A 26 4.248 -12.826 -2.267 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.972 -13.254 0.588 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.366 -11.690 -0.096 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.446 -14.083 0.082 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.782 -9.994 -0.022 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.121 -13.316 0.497 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.470 -9.216 0.437 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.641 -9.800 0.797 1.00 0.00 H new ATOM 391 N TYR A 27 6.661 -11.638 -2.356 1.00 0.00 N ATOM 392 CA TYR A 27 7.993 -11.068 -2.501 1.00 0.00 C ATOM 393 C TYR A 27 8.288 -10.249 -1.244 1.00 0.00 C ATOM 394 O TYR A 27 7.356 -9.736 -0.627 1.00 0.00 O ATOM 395 CB TYR A 27 8.052 -10.192 -3.762 1.00 0.00 C ATOM 396 CG TYR A 27 7.959 -10.977 -5.058 1.00 0.00 C ATOM 397 CD1 TYR A 27 6.703 -11.350 -5.582 1.00 0.00 C ATOM 398 CD2 TYR A 27 9.137 -11.371 -5.721 1.00 0.00 C ATOM 399 CE1 TYR A 27 6.625 -12.122 -6.757 1.00 0.00 C ATOM 400 CE2 TYR A 27 9.067 -12.149 -6.889 1.00 0.00 C ATOM 401 CZ TYR A 27 7.811 -12.532 -7.408 1.00 0.00 C ATOM 402 OH TYR A 27 7.755 -13.302 -8.528 1.00 0.00 O ATOM 0 H TYR A 27 5.919 -10.960 -2.529 1.00 0.00 H new ATOM 0 HA TYR A 27 8.743 -11.851 -2.612 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.239 -9.467 -3.728 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.984 -9.626 -3.757 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.798 -11.042 -5.080 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.099 -11.074 -5.330 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.662 -12.400 -7.160 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.974 -12.454 -7.390 1.00 0.00 H new ATOM 0 HH TYR A 27 8.664 -13.488 -8.843 1.00 0.00 H new ATOM 412 N TYR A 28 9.561 -10.131 -0.875 1.00 0.00 N ATOM 413 CA TYR A 28 10.079 -9.323 0.212 1.00 0.00 C ATOM 414 C TYR A 28 11.008 -8.278 -0.382 1.00 0.00 C ATOM 415 O TYR A 28 11.830 -8.577 -1.256 1.00 0.00 O ATOM 416 CB TYR A 28 10.861 -10.187 1.209 1.00 0.00 C ATOM 417 CG TYR A 28 11.594 -9.368 2.262 1.00 0.00 C ATOM 418 CD1 TYR A 28 10.879 -8.522 3.132 1.00 0.00 C ATOM 419 CD2 TYR A 28 13.000 -9.384 2.309 1.00 0.00 C ATOM 420 CE1 TYR A 28 11.555 -7.714 4.064 1.00 0.00 C ATOM 421 CE2 TYR A 28 13.684 -8.579 3.233 1.00 0.00 C ATOM 422 CZ TYR A 28 12.963 -7.757 4.128 1.00 0.00 C ATOM 423 OH TYR A 28 13.636 -7.048 5.078 1.00 0.00 O ATOM 0 H TYR A 28 10.302 -10.633 -1.364 1.00 0.00 H new ATOM 0 HA TYR A 28 9.251 -8.854 0.744 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.173 -10.872 1.704 1.00 0.00 H new ATOM 0 HB3 TYR A 28 11.582 -10.797 0.665 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.800 -8.493 3.083 1.00 0.00 H new ATOM 0 HD2 TYR A 28 13.554 -10.017 1.632 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.000 -7.066 4.726 1.00 0.00 H new ATOM 0 HE2 TYR A 28 14.764 -8.588 3.260 1.00 0.00 H new ATOM 0 HH TYR A 28 14.599 -7.195 4.975 1.00 0.00 H new ATOM 433 N ASP A 29 10.925 -7.068 0.158 1.00 0.00 N ATOM 434 CA ASP A 29 11.407 -5.849 -0.435 1.00 0.00 C ATOM 435 C ASP A 29 12.565 -5.305 0.415 1.00 0.00 C ATOM 436 O ASP A 29 12.365 -4.423 1.255 1.00 0.00 O ATOM 437 CB ASP A 29 10.261 -4.835 -0.670 1.00 0.00 C ATOM 438 CG ASP A 29 8.830 -5.354 -0.880 1.00 0.00 C ATOM 439 OD1 ASP A 29 8.620 -6.486 -1.369 1.00 0.00 O ATOM 440 OD2 ASP A 29 7.919 -4.558 -0.564 1.00 0.00 O ATOM 0 H ASP A 29 10.495 -6.914 1.070 1.00 0.00 H new ATOM 0 HA ASP A 29 11.801 -6.047 -1.432 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.242 -4.158 0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.525 -4.239 -1.543 1.00 0.00 H new ATOM 445 N PRO A 30 13.817 -5.770 0.224 1.00 0.00 N ATOM 446 CA PRO A 30 14.963 -5.349 1.040 1.00 0.00 C ATOM 447 C PRO A 30 15.305 -3.863 0.879 1.00 0.00 C ATOM 448 O PRO A 30 16.065 -3.306 1.672 1.00 0.00 O ATOM 449 CB PRO A 30 16.142 -6.209 0.571 1.00 0.00 C ATOM 450 CG PRO A 30 15.758 -6.591 -0.858 1.00 0.00 C ATOM 451 CD PRO A 30 14.246 -6.747 -0.765 1.00 0.00 C ATOM 0 HA PRO A 30 14.731 -5.482 2.097 1.00 0.00 H new ATOM 0 HB2 PRO A 30 17.080 -5.654 0.600 1.00 0.00 H new ATOM 0 HB3 PRO A 30 16.272 -7.089 1.201 1.00 0.00 H new ATOM 0 HG2 PRO A 30 16.043 -5.820 -1.574 1.00 0.00 H new ATOM 0 HG3 PRO A 30 16.242 -7.515 -1.175 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.772 -6.564 -1.729 1.00 0.00 H new ATOM 0 HD3 PRO A 30 13.973 -7.758 -0.463 1.00 0.00 H new ATOM 459 N GLN A 31 14.752 -3.232 -0.157 1.00 0.00 N ATOM 460 CA GLN A 31 14.949 -1.841 -0.522 1.00 0.00 C ATOM 461 C GLN A 31 14.295 -0.893 0.497 1.00 0.00 C ATOM 462 O GLN A 31 14.645 0.291 0.552 1.00 0.00 O ATOM 463 CB GLN A 31 14.346 -1.687 -1.934 1.00 0.00 C ATOM 464 CG GLN A 31 14.716 -0.400 -2.693 1.00 0.00 C ATOM 465 CD GLN A 31 14.646 -0.596 -4.215 1.00 0.00 C ATOM 466 OE1 GLN A 31 13.896 -1.418 -4.727 1.00 0.00 O ATOM 467 NE2 GLN A 31 15.450 0.133 -4.975 1.00 0.00 N ATOM 0 H GLN A 31 14.119 -3.712 -0.797 1.00 0.00 H new ATOM 0 HA GLN A 31 16.005 -1.572 -0.521 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.658 -2.541 -2.535 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.260 -1.736 -1.850 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.040 0.403 -2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 31 15.722 -0.089 -2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.074 0.817 -4.548 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.445 0.010 -5.988 1.00 0.00 H new ATOM 476 N THR A 32 13.337 -1.400 1.276 1.00 0.00 N ATOM 477 CA THR A 32 12.419 -0.619 2.097 1.00 0.00 C ATOM 478 C THR A 32 12.039 -1.340 3.395 1.00 0.00 C ATOM 479 O THR A 32 11.874 -0.677 4.420 1.00 0.00 O ATOM 480 CB THR A 32 11.163 -0.292 1.265 1.00 0.00 C ATOM 481 OG1 THR A 32 10.871 -1.340 0.351 1.00 0.00 O ATOM 482 CG2 THR A 32 11.327 1.006 0.459 1.00 0.00 C ATOM 0 H THR A 32 13.176 -2.404 1.353 1.00 0.00 H new ATOM 0 HA THR A 32 12.921 0.302 2.394 1.00 0.00 H new ATOM 0 HB THR A 32 10.349 -0.173 1.980 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.070 -1.111 -0.164 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.418 1.197 -0.112 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.509 1.837 1.141 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.170 0.906 -0.224 1.00 0.00 H new ATOM 490 N GLY A 33 11.941 -2.672 3.381 1.00 0.00 N ATOM 491 CA GLY A 33 11.529 -3.492 4.510 1.00 0.00 C ATOM 492 C GLY A 33 10.023 -3.746 4.502 1.00 0.00 C ATOM 493 O GLY A 33 9.387 -3.712 5.556 1.00 0.00 O ATOM 0 H GLY A 33 12.155 -3.223 2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 33 12.059 -4.444 4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.810 -2.999 5.440 1.00 0.00 H new ATOM 497 N LEU A 34 9.439 -3.972 3.326 1.00 0.00 N ATOM 498 CA LEU A 34 8.024 -4.284 3.121 1.00 0.00 C ATOM 499 C LEU A 34 7.936 -5.630 2.383 1.00 0.00 C ATOM 500 O LEU A 34 8.978 -6.240 2.132 1.00 0.00 O ATOM 501 CB LEU A 34 7.380 -3.140 2.319 1.00 0.00 C ATOM 502 CG LEU A 34 7.457 -1.755 2.994 1.00 0.00 C ATOM 503 CD1 LEU A 34 7.452 -0.671 1.911 1.00 0.00 C ATOM 504 CD2 LEU A 34 6.317 -1.571 4.005 1.00 0.00 C ATOM 0 H LEU A 34 9.962 -3.941 2.451 1.00 0.00 H new ATOM 0 HA LEU A 34 7.486 -4.373 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.864 -3.081 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.333 -3.384 2.141 1.00 0.00 H new ATOM 0 HG LEU A 34 8.385 -1.673 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.506 0.312 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.312 -0.808 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.535 -0.744 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.395 -0.586 4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.359 -1.657 3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.386 -2.339 4.775 1.00 0.00 H new ATOM 516 N TYR A 35 6.731 -6.113 2.071 1.00 0.00 N ATOM 517 CA TYR A 35 6.523 -7.219 1.137 1.00 0.00 C ATOM 518 C TYR A 35 5.589 -6.762 0.006 1.00 0.00 C ATOM 519 O TYR A 35 4.716 -5.915 0.232 1.00 0.00 O ATOM 520 CB TYR A 35 5.907 -8.416 1.885 1.00 0.00 C ATOM 521 CG TYR A 35 6.824 -9.190 2.818 1.00 0.00 C ATOM 522 CD1 TYR A 35 7.176 -8.659 4.073 1.00 0.00 C ATOM 523 CD2 TYR A 35 7.291 -10.466 2.446 1.00 0.00 C ATOM 524 CE1 TYR A 35 8.019 -9.387 4.932 1.00 0.00 C ATOM 525 CE2 TYR A 35 8.137 -11.200 3.289 1.00 0.00 C ATOM 526 CZ TYR A 35 8.518 -10.648 4.532 1.00 0.00 C ATOM 527 OH TYR A 35 9.319 -11.347 5.378 1.00 0.00 O ATOM 0 H TYR A 35 5.865 -5.743 2.464 1.00 0.00 H new ATOM 0 HA TYR A 35 7.478 -7.524 0.709 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.060 -8.053 2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.511 -9.111 1.145 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.799 -7.693 4.376 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.993 -10.885 1.497 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.285 -8.983 5.897 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.493 -12.175 2.992 1.00 0.00 H new ATOM 0 HH TYR A 35 9.578 -12.194 4.958 1.00 0.00 H new ATOM 537 N TYR A 36 5.686 -7.406 -1.157 1.00 0.00 N ATOM 538 CA TYR A 36 4.874 -7.200 -2.357 1.00 0.00 C ATOM 539 C TYR A 36 4.220 -8.528 -2.792 1.00 0.00 C ATOM 540 O TYR A 36 4.713 -9.613 -2.470 1.00 0.00 O ATOM 541 CB TYR A 36 5.787 -6.596 -3.440 1.00 0.00 C ATOM 542 CG TYR A 36 5.181 -6.485 -4.830 1.00 0.00 C ATOM 543 CD1 TYR A 36 5.269 -7.574 -5.717 1.00 0.00 C ATOM 544 CD2 TYR A 36 4.508 -5.315 -5.232 1.00 0.00 C ATOM 545 CE1 TYR A 36 4.684 -7.504 -6.993 1.00 0.00 C ATOM 546 CE2 TYR A 36 3.955 -5.221 -6.526 1.00 0.00 C ATOM 547 CZ TYR A 36 4.043 -6.318 -7.414 1.00 0.00 C ATOM 548 OH TYR A 36 3.536 -6.239 -8.678 1.00 0.00 O ATOM 0 H TYR A 36 6.383 -8.137 -1.295 1.00 0.00 H new ATOM 0 HA TYR A 36 4.053 -6.509 -2.169 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.093 -5.601 -3.117 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.691 -7.202 -3.506 1.00 0.00 H new ATOM 0 HD1 TYR A 36 5.790 -8.470 -5.415 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.415 -4.486 -4.546 1.00 0.00 H new ATOM 0 HE1 TYR A 36 4.725 -8.358 -7.652 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.464 -4.311 -6.839 1.00 0.00 H new ATOM 0 HH TYR A 36 3.260 -7.131 -8.976 1.00 0.00 H new ATOM 558 N ASP A 37 3.131 -8.463 -3.565 1.00 0.00 N ATOM 559 CA ASP A 37 2.360 -9.605 -4.072 1.00 0.00 C ATOM 560 C ASP A 37 2.114 -9.391 -5.574 1.00 0.00 C ATOM 561 O ASP A 37 1.777 -8.276 -5.985 1.00 0.00 O ATOM 562 CB ASP A 37 1.026 -9.574 -3.306 1.00 0.00 C ATOM 563 CG ASP A 37 -0.132 -10.484 -3.736 1.00 0.00 C ATOM 564 OD1 ASP A 37 -0.160 -11.071 -4.839 1.00 0.00 O ATOM 565 OD2 ASP A 37 -1.123 -10.554 -2.970 1.00 0.00 O ATOM 0 H ASP A 37 2.744 -7.570 -3.869 1.00 0.00 H new ATOM 0 HA ASP A 37 2.871 -10.558 -3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.247 -9.803 -2.263 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.659 -8.548 -3.337 1.00 0.00 H new ATOM 570 N PRO A 38 2.160 -10.447 -6.405 1.00 0.00 N ATOM 571 CA PRO A 38 2.052 -10.306 -7.853 1.00 0.00 C ATOM 572 C PRO A 38 0.612 -10.161 -8.365 1.00 0.00 C ATOM 573 O PRO A 38 0.370 -9.540 -9.410 1.00 0.00 O ATOM 574 CB PRO A 38 2.690 -11.587 -8.403 1.00 0.00 C ATOM 575 CG PRO A 38 2.397 -12.617 -7.312 1.00 0.00 C ATOM 576 CD PRO A 38 2.592 -11.792 -6.051 1.00 0.00 C ATOM 0 HA PRO A 38 2.542 -9.389 -8.182 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.253 -11.877 -9.359 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.761 -11.466 -8.566 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.386 -13.017 -7.387 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.080 -13.466 -7.356 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.003 -12.190 -5.225 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.634 -11.800 -5.732 1.00 0.00 H new ATOM 584 N ASN A 39 -0.362 -10.754 -7.674 1.00 0.00 N ATOM 585 CA ASN A 39 -1.773 -10.578 -7.972 1.00 0.00 C ATOM 586 C ASN A 39 -2.268 -9.233 -7.468 1.00 0.00 C ATOM 587 O ASN A 39 -3.156 -8.652 -8.091 1.00 0.00 O ATOM 588 CB ASN A 39 -2.598 -11.699 -7.325 1.00 0.00 C ATOM 589 CG ASN A 39 -3.198 -12.646 -8.335 1.00 0.00 C ATOM 590 OD1 ASN A 39 -4.317 -13.116 -8.170 1.00 0.00 O ATOM 591 ND2 ASN A 39 -2.459 -13.008 -9.355 1.00 0.00 N ATOM 0 H ASN A 39 -0.186 -11.375 -6.885 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.895 -10.616 -9.054 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.963 -12.261 -6.640 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.397 -11.257 -6.729 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.814 -13.690 -10.025 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.529 -12.607 -9.479 1.00 0.00 H new ATOM 598 N SER A 40 -1.686 -8.718 -6.390 1.00 0.00 N ATOM 599 CA SER A 40 -2.225 -7.568 -5.684 1.00 0.00 C ATOM 600 C SER A 40 -1.103 -6.612 -5.320 1.00 0.00 C ATOM 601 O SER A 40 -0.468 -6.773 -4.292 1.00 0.00 O ATOM 602 CB SER A 40 -2.962 -8.046 -4.429 1.00 0.00 C ATOM 603 OG SER A 40 -4.022 -8.927 -4.754 1.00 0.00 O ATOM 0 H SER A 40 -0.827 -9.088 -5.983 1.00 0.00 H new ATOM 0 HA SER A 40 -2.929 -7.038 -6.325 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.261 -8.549 -3.763 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.355 -7.186 -3.887 1.00 0.00 H new ATOM 0 HG SER A 40 -4.471 -9.215 -3.932 1.00 0.00 H new ATOM 609 N GLN A 41 -0.893 -5.564 -6.109 1.00 0.00 N ATOM 610 CA GLN A 41 0.154 -4.546 -5.932 1.00 0.00 C ATOM 611 C GLN A 41 0.104 -3.834 -4.566 1.00 0.00 C ATOM 612 O GLN A 41 0.973 -3.017 -4.263 1.00 0.00 O ATOM 613 CB GLN A 41 0.046 -3.499 -7.050 1.00 0.00 C ATOM 614 CG GLN A 41 0.451 -4.046 -8.420 1.00 0.00 C ATOM 615 CD GLN A 41 -0.524 -5.089 -8.952 1.00 0.00 C ATOM 616 OE1 GLN A 41 -1.741 -4.899 -8.920 1.00 0.00 O ATOM 617 NE2 GLN A 41 -0.031 -6.250 -9.334 1.00 0.00 N ATOM 0 H GLN A 41 -1.472 -5.386 -6.930 1.00 0.00 H new ATOM 0 HA GLN A 41 1.106 -5.074 -5.976 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.979 -3.132 -7.100 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.678 -2.646 -6.804 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.517 -3.222 -9.130 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.445 -4.487 -8.350 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.979 -6.393 -9.356 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.659 -7.005 -9.608 1.00 0.00 H new ATOM 626 N TYR A 42 -0.925 -4.095 -3.760 1.00 0.00 N ATOM 627 CA TYR A 42 -1.079 -3.631 -2.399 1.00 0.00 C ATOM 628 C TYR A 42 0.008 -4.293 -1.554 1.00 0.00 C ATOM 629 O TYR A 42 -0.048 -5.495 -1.280 1.00 0.00 O ATOM 630 CB TYR A 42 -2.491 -3.963 -1.895 1.00 0.00 C ATOM 631 CG TYR A 42 -3.612 -3.492 -2.807 1.00 0.00 C ATOM 632 CD1 TYR A 42 -3.697 -2.142 -3.191 1.00 0.00 C ATOM 633 CD2 TYR A 42 -4.575 -4.403 -3.279 1.00 0.00 C ATOM 634 CE1 TYR A 42 -4.748 -1.691 -4.006 1.00 0.00 C ATOM 635 CE2 TYR A 42 -5.619 -3.970 -4.115 1.00 0.00 C ATOM 636 CZ TYR A 42 -5.717 -2.609 -4.477 1.00 0.00 C ATOM 637 OH TYR A 42 -6.751 -2.194 -5.260 1.00 0.00 O ATOM 0 H TYR A 42 -1.712 -4.668 -4.065 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.966 -2.549 -2.332 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.573 -5.042 -1.767 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.627 -3.514 -0.911 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.945 -1.443 -2.855 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.512 -5.444 -2.997 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.817 -0.647 -4.273 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.347 -4.679 -4.481 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.316 -2.961 -5.489 1.00 0.00 H new ATOM 647 N TYR A 43 1.047 -3.540 -1.219 1.00 0.00 N ATOM 648 CA TYR A 43 2.160 -3.974 -0.393 1.00 0.00 C ATOM 649 C TYR A 43 1.647 -4.405 0.981 1.00 0.00 C ATOM 650 O TYR A 43 0.601 -3.943 1.451 1.00 0.00 O ATOM 651 CB TYR A 43 3.156 -2.822 -0.231 1.00 0.00 C ATOM 652 CG TYR A 43 4.037 -2.524 -1.432 1.00 0.00 C ATOM 653 CD1 TYR A 43 3.542 -1.801 -2.532 1.00 0.00 C ATOM 654 CD2 TYR A 43 5.382 -2.932 -1.429 1.00 0.00 C ATOM 655 CE1 TYR A 43 4.384 -1.492 -3.614 1.00 0.00 C ATOM 656 CE2 TYR A 43 6.234 -2.614 -2.503 1.00 0.00 C ATOM 657 CZ TYR A 43 5.739 -1.892 -3.609 1.00 0.00 C ATOM 658 OH TYR A 43 6.577 -1.536 -4.622 1.00 0.00 O ATOM 0 H TYR A 43 1.139 -2.572 -1.529 1.00 0.00 H new ATOM 0 HA TYR A 43 2.656 -4.819 -0.872 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.598 -1.919 0.017 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.800 -3.043 0.620 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.510 -1.482 -2.545 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.766 -3.496 -0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.991 -0.943 -4.457 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.269 -2.923 -2.480 1.00 0.00 H new ATOM 0 HH TYR A 43 6.291 -0.677 -4.997 1.00 0.00 H new ATOM 668 N TYR A 44 2.421 -5.244 1.661 1.00 0.00 N ATOM 669 CA TYR A 44 2.148 -5.735 2.995 1.00 0.00 C ATOM 670 C TYR A 44 3.183 -5.135 3.940 1.00 0.00 C ATOM 671 O TYR A 44 4.386 -5.394 3.862 1.00 0.00 O ATOM 672 CB TYR A 44 2.130 -7.261 3.025 1.00 0.00 C ATOM 673 CG TYR A 44 2.016 -7.807 4.431 1.00 0.00 C ATOM 674 CD1 TYR A 44 0.814 -7.646 5.145 1.00 0.00 C ATOM 675 CD2 TYR A 44 3.130 -8.408 5.046 1.00 0.00 C ATOM 676 CE1 TYR A 44 0.712 -8.106 6.469 1.00 0.00 C ATOM 677 CE2 TYR A 44 3.027 -8.888 6.365 1.00 0.00 C ATOM 678 CZ TYR A 44 1.818 -8.737 7.081 1.00 0.00 C ATOM 679 OH TYR A 44 1.728 -9.146 8.374 1.00 0.00 O ATOM 0 H TYR A 44 3.291 -5.612 1.276 1.00 0.00 H new ATOM 0 HA TYR A 44 1.155 -5.425 3.322 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.293 -7.624 2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.041 -7.642 2.563 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.032 -7.168 4.674 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.061 -8.501 4.507 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.210 -7.977 7.017 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.873 -9.372 6.830 1.00 0.00 H new ATOM 0 HH TYR A 44 2.573 -9.562 8.645 1.00 0.00 H new ATOM 689 N ASN A 45 2.691 -4.276 4.822 1.00 0.00 N ATOM 690 CA ASN A 45 3.443 -3.596 5.853 1.00 0.00 C ATOM 691 C ASN A 45 3.561 -4.507 7.066 1.00 0.00 C ATOM 692 O ASN A 45 2.803 -4.368 8.035 1.00 0.00 O ATOM 693 CB ASN A 45 2.736 -2.288 6.206 1.00 0.00 C ATOM 694 CG ASN A 45 3.502 -1.484 7.244 1.00 0.00 C ATOM 695 OD1 ASN A 45 4.719 -1.557 7.332 1.00 0.00 O ATOM 696 ND2 ASN A 45 2.798 -0.706 8.044 1.00 0.00 N ATOM 0 H ASN A 45 1.702 -4.025 4.833 1.00 0.00 H new ATOM 0 HA ASN A 45 4.448 -3.359 5.503 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.612 -1.689 5.304 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.737 -2.507 6.583 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.269 -0.148 8.756 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.783 -0.663 7.950 1.00 0.00 H new ATOM 703 N ALA A 46 4.518 -5.435 7.012 1.00 0.00 N ATOM 704 CA ALA A 46 4.820 -6.385 8.080 1.00 0.00 C ATOM 705 C ALA A 46 4.988 -5.698 9.442 1.00 0.00 C ATOM 706 O ALA A 46 4.642 -6.278 10.471 1.00 0.00 O ATOM 707 CB ALA A 46 6.096 -7.145 7.707 1.00 0.00 C ATOM 0 H ALA A 46 5.122 -5.548 6.198 1.00 0.00 H new ATOM 0 HA ALA A 46 3.980 -7.072 8.179 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.337 -7.860 8.494 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.941 -7.677 6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.919 -6.440 7.593 1.00 0.00 H new ATOM 713 N GLN A 47 5.467 -4.454 9.443 1.00 0.00 N ATOM 714 CA GLN A 47 5.723 -3.613 10.599 1.00 0.00 C ATOM 715 C GLN A 47 4.515 -3.460 11.528 1.00 0.00 C ATOM 716 O GLN A 47 4.686 -3.385 12.750 1.00 0.00 O ATOM 717 CB GLN A 47 6.149 -2.245 10.050 1.00 0.00 C ATOM 718 CG GLN A 47 7.361 -1.696 10.781 1.00 0.00 C ATOM 719 CD GLN A 47 7.872 -0.447 10.063 1.00 0.00 C ATOM 720 OE1 GLN A 47 7.621 0.680 10.485 1.00 0.00 O ATOM 721 NE2 GLN A 47 8.531 -0.613 8.928 1.00 0.00 N ATOM 0 H GLN A 47 5.701 -3.979 8.571 1.00 0.00 H new ATOM 0 HA GLN A 47 6.495 -4.076 11.214 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.375 -2.334 8.987 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.320 -1.543 10.142 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.098 -1.454 11.811 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.146 -2.451 10.822 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.733 -1.553 8.588 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.837 0.199 8.392 1.00 0.00 H new ATOM 730 N SER A 48 3.310 -3.392 10.954 1.00 0.00 N ATOM 731 CA SER A 48 2.053 -3.236 11.679 1.00 0.00 C ATOM 732 C SER A 48 1.008 -4.285 11.277 1.00 0.00 C ATOM 733 O SER A 48 -0.093 -4.275 11.820 1.00 0.00 O ATOM 734 CB SER A 48 1.479 -1.840 11.443 1.00 0.00 C ATOM 735 OG SER A 48 2.265 -0.831 12.040 1.00 0.00 O ATOM 0 H SER A 48 3.182 -3.446 9.943 1.00 0.00 H new ATOM 0 HA SER A 48 2.279 -3.379 12.736 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.407 -1.655 10.371 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.466 -1.793 11.843 1.00 0.00 H new ATOM 0 HG SER A 48 1.863 0.045 11.863 1.00 0.00 H new ATOM 741 N GLN A 49 1.329 -5.179 10.335 1.00 0.00 N ATOM 742 CA GLN A 49 0.402 -6.101 9.679 1.00 0.00 C ATOM 743 C GLN A 49 -0.618 -5.315 8.830 1.00 0.00 C ATOM 744 O GLN A 49 -1.800 -5.656 8.783 1.00 0.00 O ATOM 745 CB GLN A 49 -0.259 -7.064 10.698 1.00 0.00 C ATOM 746 CG GLN A 49 0.699 -7.658 11.746 1.00 0.00 C ATOM 747 CD GLN A 49 -0.042 -8.462 12.812 1.00 0.00 C ATOM 748 OE1 GLN A 49 0.023 -9.690 12.832 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.730 -7.808 13.735 1.00 0.00 N ATOM 0 H GLN A 49 2.285 -5.282 9.996 1.00 0.00 H new ATOM 0 HA GLN A 49 0.961 -6.740 8.995 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.055 -6.530 11.217 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.728 -7.882 10.151 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.426 -8.300 11.249 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.258 -6.853 12.223 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.778 -6.789 13.709 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.212 -8.323 14.472 1.00 0.00 H new ATOM 758 N GLN A 50 -0.205 -4.210 8.196 1.00 0.00 N ATOM 759 CA GLN A 50 -1.086 -3.314 7.437 1.00 0.00 C ATOM 760 C GLN A 50 -0.914 -3.530 5.927 1.00 0.00 C ATOM 761 O GLN A 50 -0.001 -4.237 5.508 1.00 0.00 O ATOM 762 CB GLN A 50 -0.842 -1.853 7.869 1.00 0.00 C ATOM 763 CG GLN A 50 -1.962 -1.296 8.763 1.00 0.00 C ATOM 764 CD GLN A 50 -1.999 -1.844 10.188 1.00 0.00 C ATOM 765 OE1 GLN A 50 -1.781 -1.115 11.148 1.00 0.00 O ATOM 766 NE2 GLN A 50 -2.260 -3.123 10.380 1.00 0.00 N ATOM 0 H GLN A 50 0.769 -3.908 8.196 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.127 -3.548 7.660 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.106 -1.791 8.403 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.749 -1.228 6.981 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.859 -0.212 8.812 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.920 -1.504 8.287 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.442 -3.732 9.582 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.280 -3.503 11.326 1.00 0.00 H new ATOM 775 N TYR A 51 -1.783 -2.932 5.109 1.00 0.00 N ATOM 776 CA TYR A 51 -1.736 -2.994 3.650 1.00 0.00 C ATOM 777 C TYR A 51 -1.537 -1.576 3.127 1.00 0.00 C ATOM 778 O TYR A 51 -2.220 -0.651 3.574 1.00 0.00 O ATOM 779 CB TYR A 51 -3.032 -3.600 3.075 1.00 0.00 C ATOM 780 CG TYR A 51 -3.119 -5.120 3.038 1.00 0.00 C ATOM 781 CD1 TYR A 51 -2.782 -5.894 4.164 1.00 0.00 C ATOM 782 CD2 TYR A 51 -3.568 -5.768 1.868 1.00 0.00 C ATOM 783 CE1 TYR A 51 -2.859 -7.296 4.117 1.00 0.00 C ATOM 784 CE2 TYR A 51 -3.661 -7.172 1.818 1.00 0.00 C ATOM 785 CZ TYR A 51 -3.301 -7.945 2.944 1.00 0.00 C ATOM 786 OH TYR A 51 -3.424 -9.301 2.932 1.00 0.00 O ATOM 0 H TYR A 51 -2.563 -2.374 5.457 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.913 -3.637 3.337 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.872 -3.225 3.660 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.160 -3.227 2.059 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.461 -5.406 5.072 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.843 -5.182 1.003 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.579 -7.879 4.982 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.008 -7.658 0.918 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.740 -9.593 2.051 1.00 0.00 H new ATOM 796 N LEU A 52 -0.606 -1.396 2.192 1.00 0.00 N ATOM 797 CA LEU A 52 -0.192 -0.110 1.635 1.00 0.00 C ATOM 798 C LEU A 52 -0.142 -0.217 0.108 1.00 0.00 C ATOM 799 O LEU A 52 -0.384 -1.289 -0.437 1.00 0.00 O ATOM 800 CB LEU A 52 1.175 0.323 2.199 1.00 0.00 C ATOM 801 CG LEU A 52 1.366 0.327 3.731 1.00 0.00 C ATOM 802 CD1 LEU A 52 2.830 0.634 4.055 1.00 0.00 C ATOM 803 CD2 LEU A 52 0.501 1.334 4.496 1.00 0.00 C ATOM 0 H LEU A 52 -0.096 -2.179 1.783 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.917 0.652 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.934 -0.332 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.381 1.330 1.836 1.00 0.00 H new ATOM 0 HG LEU A 52 1.055 -0.665 4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.970 0.638 5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.469 -0.128 3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.095 1.611 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.710 1.257 5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.729 2.343 4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.552 1.119 4.317 1.00 0.00 H new ATOM 815 N TYR A 53 0.173 0.865 -0.596 1.00 0.00 N ATOM 816 CA TYR A 53 0.492 0.885 -2.014 1.00 0.00 C ATOM 817 C TYR A 53 1.659 1.840 -2.239 1.00 0.00 C ATOM 818 O TYR A 53 1.875 2.759 -1.441 1.00 0.00 O ATOM 819 CB TYR A 53 -0.737 1.243 -2.865 1.00 0.00 C ATOM 820 CG TYR A 53 -1.349 2.629 -2.726 1.00 0.00 C ATOM 821 CD1 TYR A 53 -2.186 2.943 -1.636 1.00 0.00 C ATOM 822 CD2 TYR A 53 -1.178 3.566 -3.766 1.00 0.00 C ATOM 823 CE1 TYR A 53 -2.898 4.152 -1.609 1.00 0.00 C ATOM 824 CE2 TYR A 53 -1.892 4.779 -3.754 1.00 0.00 C ATOM 825 CZ TYR A 53 -2.769 5.060 -2.682 1.00 0.00 C ATOM 826 OH TYR A 53 -3.435 6.244 -2.645 1.00 0.00 O ATOM 0 H TYR A 53 0.214 1.792 -0.172 1.00 0.00 H new ATOM 0 HA TYR A 53 0.791 -0.112 -2.337 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.464 1.107 -3.911 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.516 0.515 -2.641 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.280 2.248 -0.815 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.496 3.352 -4.576 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.540 4.386 -0.773 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.771 5.490 -4.558 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.239 6.755 -3.458 1.00 0.00 H new ATOM 836 N TRP A 54 2.434 1.598 -3.298 1.00 0.00 N ATOM 837 CA TRP A 54 3.439 2.525 -3.796 1.00 0.00 C ATOM 838 C TRP A 54 2.724 3.487 -4.734 1.00 0.00 C ATOM 839 O TRP A 54 2.027 3.061 -5.658 1.00 0.00 O ATOM 840 CB TRP A 54 4.547 1.781 -4.553 1.00 0.00 C ATOM 841 CG TRP A 54 5.497 2.669 -5.284 1.00 0.00 C ATOM 842 CD1 TRP A 54 5.646 2.716 -6.624 1.00 0.00 C ATOM 843 CD2 TRP A 54 6.358 3.714 -4.751 1.00 0.00 C ATOM 844 NE1 TRP A 54 6.565 3.690 -6.949 1.00 0.00 N ATOM 845 CE2 TRP A 54 7.007 4.368 -5.837 1.00 0.00 C ATOM 846 CE3 TRP A 54 6.626 4.197 -3.458 1.00 0.00 C ATOM 847 CZ2 TRP A 54 7.870 5.457 -5.653 1.00 0.00 C ATOM 848 CZ3 TRP A 54 7.484 5.288 -3.258 1.00 0.00 C ATOM 849 CH2 TRP A 54 8.102 5.927 -4.351 1.00 0.00 C ATOM 0 H TRP A 54 2.376 0.736 -3.840 1.00 0.00 H new ATOM 0 HA TRP A 54 3.912 3.053 -2.968 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.109 1.173 -3.844 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.087 1.097 -5.266 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.126 2.088 -7.332 1.00 0.00 H new ATOM 0 HE1 TRP A 54 6.880 3.885 -7.900 1.00 0.00 H new ATOM 0 HE3 TRP A 54 6.164 3.721 -2.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 8.349 5.927 -6.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 7.673 5.642 -2.255 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.751 6.775 -4.188 1.00 0.00 H new ATOM 860 N ASP A 55 2.908 4.782 -4.521 1.00 0.00 N ATOM 861 CA ASP A 55 2.217 5.822 -5.250 1.00 0.00 C ATOM 862 C ASP A 55 3.251 6.695 -5.937 1.00 0.00 C ATOM 863 O ASP A 55 3.878 7.548 -5.306 1.00 0.00 O ATOM 864 CB ASP A 55 1.332 6.623 -4.295 1.00 0.00 C ATOM 865 CG ASP A 55 0.574 7.729 -5.020 1.00 0.00 C ATOM 866 OD1 ASP A 55 0.692 7.824 -6.260 1.00 0.00 O ATOM 867 OD2 ASP A 55 -0.132 8.488 -4.323 1.00 0.00 O ATOM 0 H ASP A 55 3.557 5.141 -3.821 1.00 0.00 H new ATOM 0 HA ASP A 55 1.564 5.395 -6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.622 5.954 -3.810 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.948 7.059 -3.508 1.00 0.00 H new ATOM 872 N GLY A 56 3.454 6.455 -7.230 1.00 0.00 N ATOM 873 CA GLY A 56 4.352 7.226 -8.063 1.00 0.00 C ATOM 874 C GLY A 56 3.828 8.628 -8.359 1.00 0.00 C ATOM 875 O GLY A 56 4.624 9.476 -8.758 1.00 0.00 O ATOM 0 H GLY A 56 2.985 5.701 -7.732 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.321 7.302 -7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.512 6.697 -9.003 1.00 0.00 H new ATOM 879 N GLU A 57 2.537 8.913 -8.138 1.00 0.00 N ATOM 880 CA GLU A 57 2.029 10.281 -8.273 1.00 0.00 C ATOM 881 C GLU A 57 2.748 11.133 -7.220 1.00 0.00 C ATOM 882 O GLU A 57 3.243 12.226 -7.500 1.00 0.00 O ATOM 883 CB GLU A 57 0.503 10.372 -8.081 1.00 0.00 C ATOM 884 CG GLU A 57 -0.352 9.457 -8.970 1.00 0.00 C ATOM 885 CD GLU A 57 -0.325 9.818 -10.457 1.00 0.00 C ATOM 886 OE1 GLU A 57 0.599 9.317 -11.148 1.00 0.00 O ATOM 887 OE2 GLU A 57 -1.243 10.527 -10.931 1.00 0.00 O ATOM 0 H GLU A 57 1.835 8.223 -7.869 1.00 0.00 H new ATOM 0 HA GLU A 57 2.225 10.638 -9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.276 10.146 -7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.197 11.403 -8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.007 8.430 -8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.383 9.490 -8.619 1.00 0.00 H new ATOM 894 N ARG A 58 2.863 10.601 -5.997 1.00 0.00 N ATOM 895 CA ARG A 58 3.331 11.316 -4.809 1.00 0.00 C ATOM 896 C ARG A 58 4.740 10.903 -4.369 1.00 0.00 C ATOM 897 O ARG A 58 5.307 11.523 -3.469 1.00 0.00 O ATOM 898 CB ARG A 58 2.282 11.088 -3.707 1.00 0.00 C ATOM 899 CG ARG A 58 0.946 11.772 -4.048 1.00 0.00 C ATOM 900 CD ARG A 58 -0.206 11.259 -3.176 1.00 0.00 C ATOM 901 NE ARG A 58 -0.842 12.343 -2.427 1.00 0.00 N ATOM 902 CZ ARG A 58 -1.873 12.233 -1.590 1.00 0.00 C ATOM 903 NH1 ARG A 58 -2.430 11.056 -1.326 1.00 0.00 N ATOM 904 NH2 ARG A 58 -2.329 13.341 -1.028 1.00 0.00 N ATOM 0 H ARG A 58 2.624 9.628 -5.803 1.00 0.00 H new ATOM 0 HA ARG A 58 3.428 12.378 -5.034 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.120 10.018 -3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.658 11.474 -2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.047 12.849 -3.916 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.709 11.600 -5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.948 10.767 -3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.170 10.508 -2.481 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.457 13.278 -2.559 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.069 10.210 -1.768 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.218 10.998 -0.681 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.893 14.238 -1.241 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.117 13.298 -0.382 1.00 0.00 H new ATOM 918 N ARG A 59 5.309 9.876 -5.014 1.00 0.00 N ATOM 919 CA ARG A 59 6.537 9.162 -4.664 1.00 0.00 C ATOM 920 C ARG A 59 6.562 8.885 -3.170 1.00 0.00 C ATOM 921 O ARG A 59 7.440 9.351 -2.449 1.00 0.00 O ATOM 922 CB ARG A 59 7.787 9.901 -5.165 1.00 0.00 C ATOM 923 CG ARG A 59 7.821 10.069 -6.695 1.00 0.00 C ATOM 924 CD ARG A 59 8.844 11.154 -7.033 1.00 0.00 C ATOM 925 NE ARG A 59 9.136 11.287 -8.464 1.00 0.00 N ATOM 926 CZ ARG A 59 10.113 12.056 -8.959 1.00 0.00 C ATOM 927 NH1 ARG A 59 10.878 12.792 -8.159 1.00 0.00 N ATOM 928 NH2 ARG A 59 10.328 12.101 -10.267 1.00 0.00 N ATOM 0 H ARG A 59 4.886 9.495 -5.861 1.00 0.00 H new ATOM 0 HA ARG A 59 6.548 8.199 -5.175 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.831 10.884 -4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.675 9.356 -4.846 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.092 9.128 -7.175 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.835 10.346 -7.069 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.478 12.110 -6.659 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.772 10.939 -6.504 1.00 0.00 H new ATOM 0 HE ARG A 59 8.560 10.762 -9.122 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.725 12.776 -7.151 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.618 13.372 -8.553 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.748 11.549 -10.898 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.073 12.688 -10.641 1.00 0.00 H new ATOM 942 N THR A 60 5.568 8.129 -2.695 1.00 0.00 N ATOM 943 CA THR A 60 5.457 7.784 -1.294 1.00 0.00 C ATOM 944 C THR A 60 4.767 6.422 -1.170 1.00 0.00 C ATOM 945 O THR A 60 4.255 5.884 -2.158 1.00 0.00 O ATOM 946 CB THR A 60 4.718 8.932 -0.573 1.00 0.00 C ATOM 947 OG1 THR A 60 4.881 8.833 0.822 1.00 0.00 O ATOM 948 CG2 THR A 60 3.217 8.973 -0.875 1.00 0.00 C ATOM 0 H THR A 60 4.824 7.745 -3.278 1.00 0.00 H new ATOM 0 HA THR A 60 6.430 7.678 -0.814 1.00 0.00 H new ATOM 0 HB THR A 60 5.167 9.849 -0.954 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.407 9.570 1.260 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.760 9.803 -0.336 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.065 9.108 -1.946 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.756 8.037 -0.558 1.00 0.00 H new ATOM 956 N TYR A 61 4.723 5.871 0.043 1.00 0.00 N ATOM 957 CA TYR A 61 3.867 4.744 0.378 1.00 0.00 C ATOM 958 C TYR A 61 2.684 5.254 1.192 1.00 0.00 C ATOM 959 O TYR A 61 2.862 5.991 2.168 1.00 0.00 O ATOM 960 CB TYR A 61 4.649 3.683 1.148 1.00 0.00 C ATOM 961 CG TYR A 61 5.625 2.918 0.283 1.00 0.00 C ATOM 962 CD1 TYR A 61 5.170 1.850 -0.508 1.00 0.00 C ATOM 963 CD2 TYR A 61 6.984 3.269 0.264 1.00 0.00 C ATOM 964 CE1 TYR A 61 6.078 1.059 -1.230 1.00 0.00 C ATOM 965 CE2 TYR A 61 7.896 2.505 -0.487 1.00 0.00 C ATOM 966 CZ TYR A 61 7.453 1.376 -1.216 1.00 0.00 C ATOM 967 OH TYR A 61 8.344 0.603 -1.896 1.00 0.00 O ATOM 0 H TYR A 61 5.288 6.201 0.825 1.00 0.00 H new ATOM 0 HA TYR A 61 3.500 4.276 -0.535 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.193 4.161 1.962 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.948 2.982 1.601 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.113 1.636 -0.561 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.329 4.125 0.825 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.725 0.209 -1.795 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.940 2.782 -0.507 1.00 0.00 H new ATOM 0 HH TYR A 61 9.194 1.083 -1.982 1.00 0.00 H new ATOM 977 N VAL A 62 1.480 4.883 0.775 1.00 0.00 N ATOM 978 CA VAL A 62 0.188 5.277 1.336 1.00 0.00 C ATOM 979 C VAL A 62 -0.616 4.013 1.661 1.00 0.00 C ATOM 980 O VAL A 62 -0.350 2.978 1.056 1.00 0.00 O ATOM 981 CB VAL A 62 -0.545 6.246 0.375 1.00 0.00 C ATOM 982 CG1 VAL A 62 -0.299 7.707 0.774 1.00 0.00 C ATOM 983 CG2 VAL A 62 -0.108 6.111 -1.094 1.00 0.00 C ATOM 0 H VAL A 62 1.370 4.254 -0.021 1.00 0.00 H new ATOM 0 HA VAL A 62 0.322 5.828 2.267 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.597 5.972 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.825 8.366 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.667 7.875 1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.769 7.920 0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.664 6.821 -1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.959 6.319 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.308 5.098 -1.442 1.00 0.00 H new ATOM 993 N PRO A 63 -1.572 4.029 2.602 1.00 0.00 N ATOM 994 CA PRO A 63 -2.308 2.830 2.978 1.00 0.00 C ATOM 995 C PRO A 63 -3.347 2.451 1.925 1.00 0.00 C ATOM 996 O PRO A 63 -4.076 3.314 1.430 1.00 0.00 O ATOM 997 CB PRO A 63 -2.926 3.122 4.337 1.00 0.00 C ATOM 998 CG PRO A 63 -3.096 4.635 4.307 1.00 0.00 C ATOM 999 CD PRO A 63 -1.918 5.132 3.478 1.00 0.00 C ATOM 0 HA PRO A 63 -1.651 1.963 3.039 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.879 2.610 4.467 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.278 2.803 5.154 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.047 4.919 3.857 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.081 5.057 5.312 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.187 6.019 2.905 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -1.077 5.407 4.115 1.00 0.00 H new ATOM 1007 N ALA A 64 -3.451 1.154 1.623 1.00 0.00 N ATOM 1008 CA ALA A 64 -4.354 0.601 0.616 1.00 0.00 C ATOM 1009 C ALA A 64 -5.517 -0.148 1.253 1.00 0.00 C ATOM 1010 O ALA A 64 -6.048 -1.103 0.687 1.00 0.00 O ATOM 1011 CB ALA A 64 -3.608 -0.295 -0.371 1.00 0.00 C ATOM 0 H ALA A 64 -2.891 0.440 2.088 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.766 1.443 0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.309 -0.690 -1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.838 0.286 -0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.143 -1.121 0.167 1.00 0.00 H new