USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 246 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 161 CYS SG : rot 143:sc= -0.0467 USER MOD Set 1.2: A 164 CYS SG : rot -68:sc= 1.34 USER MOD Set 1.3: A 166 SER OG : rot 106:sc= 1.12 USER MOD Set 1.4: A 168 SER OG : rot 78:sc= -0.156 USER MOD Set 1.5: A 169 HIS : no HD1:sc= -1.88 K(o=-1.4,f=-9.8!) USER MOD Set 1.6: A 174 CYS SG : rot 109:sc= -1.8! USER MOD Set 2.1: A 139 CYS SG : rot 153:sc= 1.19 USER MOD Set 2.2: A 141 ASN : amide:sc= -0.0485 X(o=-0.26,f=-0.38) USER MOD Set 2.3: A 142 CYS SG : rot -67:sc= 0.54 USER MOD Set 2.4: A 147 HIS : no HD1:sc= 0.167 K(o=-0.26,f=-8!) USER MOD Set 2.5: A 152 CYS SG : rot 122:sc= -2.11! USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 HIS : no HD1:sc= -0.0428 X(o=-0.043,f=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 HIS : no HD1:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 165 GLN : amide:sc= -1.44! C(o=-1.4!,f=-1.4!) USER MOD Single : A 170 MET CE :methyl 158:sc= -0.235 (180deg=-1.2) USER MOD Single : A 173 SER OG : rot -52:sc= 0.00772 USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 179 GLN : amide:sc= -0.356 K(o=-0.36,f=-1.4!) USER MOD Single : A 180 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 257 N CYS A 139 1.228 4.018 -7.795 1.00 0.00 N ATOM 258 CA CYS A 139 -0.182 4.174 -8.139 1.00 0.00 C ATOM 259 C CYS A 139 -1.039 4.027 -6.888 1.00 0.00 C ATOM 260 O CYS A 139 -1.117 2.951 -6.303 1.00 0.00 O ATOM 261 CB CYS A 139 -0.534 3.138 -9.213 1.00 0.00 C ATOM 262 SG CYS A 139 -2.325 2.912 -9.345 1.00 0.00 S ATOM 0 HA CYS A 139 -0.378 5.168 -8.542 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.134 3.458 -10.175 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.062 2.186 -8.972 1.00 0.00 H new ATOM 0 HG CYS A 139 -2.626 2.524 -10.549 1.00 0.00 H new ATOM 267 N TYR A 140 -1.684 5.124 -6.480 1.00 0.00 N ATOM 268 CA TYR A 140 -2.520 5.164 -5.293 1.00 0.00 C ATOM 269 C TYR A 140 -3.812 4.370 -5.458 1.00 0.00 C ATOM 270 O TYR A 140 -4.699 4.464 -4.608 1.00 0.00 O ATOM 271 CB TYR A 140 -2.809 6.620 -4.940 1.00 0.00 C ATOM 272 CG TYR A 140 -1.567 7.382 -4.540 1.00 0.00 C ATOM 273 CD1 TYR A 140 -0.742 6.878 -3.525 1.00 0.00 C ATOM 274 CD2 TYR A 140 -1.244 8.587 -5.176 1.00 0.00 C ATOM 275 CE1 TYR A 140 0.420 7.574 -3.158 1.00 0.00 C ATOM 276 CE2 TYR A 140 -0.090 9.293 -4.806 1.00 0.00 C ATOM 277 CZ TYR A 140 0.753 8.787 -3.795 1.00 0.00 C ATOM 278 OH TYR A 140 1.883 9.456 -3.446 1.00 0.00 O ATOM 0 H TYR A 140 -1.635 6.015 -6.975 1.00 0.00 H new ATOM 0 HA TYR A 140 -1.978 4.686 -4.477 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -3.272 7.112 -5.796 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -3.530 6.655 -4.124 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -1.000 5.956 -3.026 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -1.886 8.974 -5.954 1.00 0.00 H new ATOM 0 HE1 TYR A 140 1.062 7.179 -2.384 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.153 10.224 -5.296 1.00 0.00 H new ATOM 0 HH TYR A 140 1.960 10.271 -3.984 1.00 0.00 H new ATOM 288 N ASN A 141 -3.938 3.592 -6.539 1.00 0.00 N ATOM 289 CA ASN A 141 -5.133 2.807 -6.781 1.00 0.00 C ATOM 290 C ASN A 141 -4.822 1.309 -6.808 1.00 0.00 C ATOM 291 O ASN A 141 -5.689 0.517 -6.462 1.00 0.00 O ATOM 292 CB ASN A 141 -5.761 3.263 -8.098 1.00 0.00 C ATOM 293 CG ASN A 141 -7.110 2.606 -8.342 1.00 0.00 C ATOM 294 OD1 ASN A 141 -8.141 3.174 -7.990 1.00 0.00 O ATOM 295 ND2 ASN A 141 -7.121 1.421 -8.941 1.00 0.00 N ATOM 0 H ASN A 141 -3.219 3.496 -7.257 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.839 2.966 -5.966 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.882 4.346 -8.086 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.088 3.026 -8.922 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -8.007 0.950 -9.124 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -6.243 0.982 -9.218 1.00 0.00 H new ATOM 302 N CYS A 142 -3.611 0.920 -7.218 1.00 0.00 N ATOM 303 CA CYS A 142 -3.220 -0.480 -7.240 1.00 0.00 C ATOM 304 C CYS A 142 -1.946 -0.735 -6.438 1.00 0.00 C ATOM 305 O CYS A 142 -1.841 -1.724 -5.712 1.00 0.00 O ATOM 306 CB CYS A 142 -3.103 -0.932 -8.691 1.00 0.00 C ATOM 307 SG CYS A 142 -1.551 -0.395 -9.426 1.00 0.00 S ATOM 0 H CYS A 142 -2.887 1.563 -7.539 1.00 0.00 H new ATOM 0 HA CYS A 142 -3.988 -1.077 -6.748 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -3.174 -2.019 -8.742 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -3.937 -0.531 -9.266 1.00 0.00 H new ATOM 0 HG CYS A 142 -1.547 0.901 -9.532 1.00 0.00 H new ATOM 312 N GLY A 143 -0.983 0.180 -6.589 1.00 0.00 N ATOM 313 CA GLY A 143 0.318 0.081 -5.948 1.00 0.00 C ATOM 314 C GLY A 143 1.421 -0.205 -6.967 1.00 0.00 C ATOM 315 O GLY A 143 2.486 -0.685 -6.588 1.00 0.00 O ATOM 0 H GLY A 143 -1.092 1.014 -7.166 1.00 0.00 H new ATOM 0 HA2 GLY A 143 0.538 1.010 -5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 143 0.297 -0.711 -5.200 1.00 0.00 H new ATOM 319 N GLY A 144 1.178 0.079 -8.255 1.00 0.00 N ATOM 320 CA GLY A 144 2.140 -0.153 -9.323 1.00 0.00 C ATOM 321 C GLY A 144 3.003 1.080 -9.584 1.00 0.00 C ATOM 322 O GLY A 144 2.692 2.166 -9.110 1.00 0.00 O ATOM 0 H GLY A 144 0.298 0.480 -8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 144 2.779 -0.996 -9.060 1.00 0.00 H new ATOM 0 HA3 GLY A 144 1.611 -0.427 -10.236 1.00 0.00 H new ATOM 326 N LEU A 145 4.095 0.928 -10.335 1.00 0.00 N ATOM 327 CA LEU A 145 5.086 1.990 -10.458 1.00 0.00 C ATOM 328 C LEU A 145 5.200 2.497 -11.881 1.00 0.00 C ATOM 329 O LEU A 145 5.661 3.614 -12.108 1.00 0.00 O ATOM 330 CB LEU A 145 6.471 1.521 -9.990 1.00 0.00 C ATOM 331 CG LEU A 145 6.662 0.003 -9.989 1.00 0.00 C ATOM 332 CD1 LEU A 145 8.151 -0.321 -9.978 1.00 0.00 C ATOM 333 CD2 LEU A 145 6.053 -0.598 -8.724 1.00 0.00 C ATOM 0 H LEU A 145 4.312 0.083 -10.864 1.00 0.00 H new ATOM 0 HA LEU A 145 4.740 2.802 -9.819 1.00 0.00 H new ATOM 0 HB2 LEU A 145 7.228 1.969 -10.633 1.00 0.00 H new ATOM 0 HB3 LEU A 145 6.646 1.897 -8.982 1.00 0.00 H new ATOM 0 HG LEU A 145 6.180 -0.407 -10.876 1.00 0.00 H new ATOM 0 HD11 LEU A 145 8.288 -1.402 -9.977 1.00 0.00 H new ATOM 0 HD12 LEU A 145 8.622 0.104 -10.864 1.00 0.00 H new ATOM 0 HD13 LEU A 145 8.609 0.103 -9.085 1.00 0.00 H new ATOM 0 HD21 LEU A 145 6.193 -1.679 -8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 145 6.543 -0.174 -7.847 1.00 0.00 H new ATOM 0 HD23 LEU A 145 4.988 -0.370 -8.690 1.00 0.00 H new ATOM 345 N ASP A 146 4.779 1.683 -12.843 1.00 0.00 N ATOM 346 CA ASP A 146 4.875 2.011 -14.253 1.00 0.00 C ATOM 347 C ASP A 146 3.754 2.971 -14.670 1.00 0.00 C ATOM 348 O ASP A 146 3.678 3.374 -15.828 1.00 0.00 O ATOM 349 CB ASP A 146 4.824 0.690 -15.022 1.00 0.00 C ATOM 350 CG ASP A 146 4.917 0.879 -16.528 1.00 0.00 C ATOM 351 OD1 ASP A 146 5.953 1.423 -16.977 1.00 0.00 O ATOM 352 OD2 ASP A 146 3.953 0.485 -17.216 1.00 0.00 O ATOM 0 H ASP A 146 4.359 0.771 -12.661 1.00 0.00 H new ATOM 0 HA ASP A 146 5.807 2.531 -14.474 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.642 0.050 -14.690 1.00 0.00 H new ATOM 0 HB3 ASP A 146 3.896 0.171 -14.782 1.00 0.00 H new ATOM 357 N HIS A 147 2.879 3.339 -13.731 1.00 0.00 N ATOM 358 CA HIS A 147 1.735 4.206 -13.991 1.00 0.00 C ATOM 359 C HIS A 147 1.281 4.909 -12.707 1.00 0.00 C ATOM 360 O HIS A 147 1.956 4.836 -11.680 1.00 0.00 O ATOM 361 CB HIS A 147 0.593 3.351 -14.549 1.00 0.00 C ATOM 362 CG HIS A 147 0.147 2.293 -13.580 1.00 0.00 C ATOM 363 ND1 HIS A 147 0.753 1.076 -13.335 1.00 0.00 N ATOM 364 CD2 HIS A 147 -0.944 2.366 -12.761 1.00 0.00 C ATOM 365 CE1 HIS A 147 0.050 0.449 -12.379 1.00 0.00 C ATOM 366 NE2 HIS A 147 -1.007 1.192 -12.007 1.00 0.00 N ATOM 0 H HIS A 147 2.949 3.038 -12.759 1.00 0.00 H new ATOM 0 HA HIS A 147 2.020 4.973 -14.711 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -0.252 3.994 -14.796 1.00 0.00 H new ATOM 0 HB3 HIS A 147 0.916 2.878 -15.477 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -1.639 3.191 -12.706 1.00 0.00 H new ATOM 0 HE1 HIS A 147 0.299 -0.517 -11.966 1.00 0.00 H new ATOM 0 HE2 HIS A 147 -1.713 0.947 -11.313 1.00 0.00 H new ATOM 374 N HIS A 148 0.129 5.586 -12.765 1.00 0.00 N ATOM 375 CA HIS A 148 -0.452 6.283 -11.627 1.00 0.00 C ATOM 376 C HIS A 148 -1.933 5.930 -11.485 1.00 0.00 C ATOM 377 O HIS A 148 -2.511 5.316 -12.375 1.00 0.00 O ATOM 378 CB HIS A 148 -0.272 7.791 -11.801 1.00 0.00 C ATOM 379 CG HIS A 148 1.170 8.223 -11.734 1.00 0.00 C ATOM 380 ND1 HIS A 148 1.808 9.040 -12.670 1.00 0.00 N ATOM 381 CD2 HIS A 148 2.055 7.876 -10.757 1.00 0.00 C ATOM 382 CE1 HIS A 148 3.072 9.162 -12.229 1.00 0.00 C ATOM 383 NE2 HIS A 148 3.247 8.470 -11.091 1.00 0.00 N ATOM 0 H HIS A 148 -0.428 5.662 -13.616 1.00 0.00 H new ATOM 0 HA HIS A 148 0.060 5.969 -10.717 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -0.692 8.093 -12.760 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -0.838 8.311 -11.028 1.00 0.00 H new ATOM 0 HD2 HIS A 148 1.858 7.258 -9.894 1.00 0.00 H new ATOM 0 HE1 HIS A 148 3.841 9.738 -12.722 1.00 0.00 H new ATOM 0 HE2 HIS A 148 4.118 8.398 -10.564 1.00 0.00 H new ATOM 391 N ALA A 149 -2.545 6.317 -10.366 1.00 0.00 N ATOM 392 CA ALA A 149 -3.916 5.941 -10.034 1.00 0.00 C ATOM 393 C ALA A 149 -4.922 6.385 -11.091 1.00 0.00 C ATOM 394 O ALA A 149 -5.951 5.735 -11.277 1.00 0.00 O ATOM 395 CB ALA A 149 -4.264 6.565 -8.684 1.00 0.00 C ATOM 0 H ALA A 149 -2.099 6.904 -9.661 1.00 0.00 H new ATOM 0 HA ALA A 149 -3.975 4.853 -9.992 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.285 6.299 -8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -3.578 6.193 -7.923 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -4.178 7.649 -8.751 1.00 0.00 H new ATOM 401 N LYS A 150 -4.634 7.486 -11.790 1.00 0.00 N ATOM 402 CA LYS A 150 -5.478 8.013 -12.849 1.00 0.00 C ATOM 403 C LYS A 150 -5.300 7.247 -14.155 1.00 0.00 C ATOM 404 O LYS A 150 -6.088 7.393 -15.087 1.00 0.00 O ATOM 405 CB LYS A 150 -5.122 9.480 -13.060 1.00 0.00 C ATOM 406 CG LYS A 150 -3.645 9.640 -13.439 1.00 0.00 C ATOM 407 CD LYS A 150 -3.175 11.072 -13.203 1.00 0.00 C ATOM 408 CE LYS A 150 -3.173 11.354 -11.702 1.00 0.00 C ATOM 409 NZ LYS A 150 -2.821 12.755 -11.424 1.00 0.00 N ATOM 0 H LYS A 150 -3.793 8.040 -11.628 1.00 0.00 H new ATOM 0 HA LYS A 150 -6.521 7.904 -12.551 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -5.750 9.901 -13.845 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.330 10.043 -12.150 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -3.038 8.952 -12.851 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.503 9.374 -14.487 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.175 11.213 -13.614 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.832 11.773 -13.717 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -4.157 11.134 -11.287 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.463 10.693 -11.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -2.828 12.917 -10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.872 12.956 -11.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.514 13.384 -11.878 1.00 0.00 H new ATOM 423 N GLU A 151 -4.255 6.427 -14.218 1.00 0.00 N ATOM 424 CA GLU A 151 -3.963 5.587 -15.369 1.00 0.00 C ATOM 425 C GLU A 151 -4.204 4.113 -15.058 1.00 0.00 C ATOM 426 O GLU A 151 -4.098 3.269 -15.946 1.00 0.00 O ATOM 427 CB GLU A 151 -2.501 5.771 -15.776 1.00 0.00 C ATOM 428 CG GLU A 151 -2.071 7.234 -15.751 1.00 0.00 C ATOM 429 CD GLU A 151 -0.689 7.416 -16.361 1.00 0.00 C ATOM 430 OE1 GLU A 151 0.228 6.686 -15.922 1.00 0.00 O ATOM 431 OE2 GLU A 151 -0.549 8.280 -17.256 1.00 0.00 O ATOM 0 H GLU A 151 -3.580 6.328 -13.460 1.00 0.00 H new ATOM 0 HA GLU A 151 -4.628 5.885 -16.180 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -1.864 5.196 -15.103 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -2.352 5.368 -16.778 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -2.795 7.837 -16.299 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -2.067 7.596 -14.723 1.00 0.00 H new ATOM 438 N CYS A 152 -4.527 3.804 -13.801 1.00 0.00 N ATOM 439 CA CYS A 152 -4.763 2.442 -13.356 1.00 0.00 C ATOM 440 C CYS A 152 -5.933 1.815 -14.113 1.00 0.00 C ATOM 441 O CYS A 152 -6.726 2.509 -14.752 1.00 0.00 O ATOM 442 CB CYS A 152 -4.974 2.440 -11.846 1.00 0.00 C ATOM 443 SG CYS A 152 -4.462 0.826 -11.220 1.00 0.00 S ATOM 0 H CYS A 152 -4.631 4.501 -13.063 1.00 0.00 H new ATOM 0 HA CYS A 152 -3.893 1.824 -13.577 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.392 3.234 -11.378 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -6.020 2.628 -11.606 1.00 0.00 H new ATOM 0 HG CYS A 152 -3.523 0.982 -10.335 1.00 0.00 H new ATOM 570 N LYS A 160 -1.621 -1.170 0.228 1.00 0.00 N ATOM 571 CA LYS A 160 -0.880 -2.093 1.076 1.00 0.00 C ATOM 572 C LYS A 160 0.513 -1.557 1.364 1.00 0.00 C ATOM 573 O LYS A 160 1.005 -0.680 0.650 1.00 0.00 O ATOM 574 CB LYS A 160 -0.719 -3.424 0.344 1.00 0.00 C ATOM 575 CG LYS A 160 -2.056 -4.102 0.079 1.00 0.00 C ATOM 576 CD LYS A 160 -1.898 -5.122 -1.042 1.00 0.00 C ATOM 577 CE LYS A 160 -3.206 -5.159 -1.817 1.00 0.00 C ATOM 578 NZ LYS A 160 -3.093 -6.035 -2.998 1.00 0.00 N ATOM 0 HA LYS A 160 -1.429 -2.216 2.010 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.205 -3.256 -0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -0.088 -4.088 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.412 -4.594 0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.804 -3.358 -0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -1.072 -4.846 -1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -1.666 -6.106 -0.635 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -4.007 -5.516 -1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -3.476 -4.151 -2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.998 -6.044 -3.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -2.343 -5.678 -3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -2.858 -7.001 -2.693 1.00 0.00 H new ATOM 592 N CYS A 161 1.143 -2.089 2.410 1.00 0.00 N ATOM 593 CA CYS A 161 2.538 -1.843 2.702 1.00 0.00 C ATOM 594 C CYS A 161 3.386 -2.186 1.474 1.00 0.00 C ATOM 595 O CYS A 161 3.332 -3.310 0.982 1.00 0.00 O ATOM 596 CB CYS A 161 2.884 -2.714 3.912 1.00 0.00 C ATOM 597 SG CYS A 161 4.647 -2.643 4.303 1.00 0.00 S ATOM 0 H CYS A 161 0.687 -2.708 3.080 1.00 0.00 H new ATOM 0 HA CYS A 161 2.739 -0.797 2.934 1.00 0.00 H new ATOM 0 HB2 CYS A 161 2.306 -2.384 4.775 1.00 0.00 H new ATOM 0 HB3 CYS A 161 2.597 -3.746 3.712 1.00 0.00 H new ATOM 0 HG CYS A 161 4.806 -2.661 5.593 1.00 0.00 H new ATOM 602 N HIS A 162 4.174 -1.226 0.979 1.00 0.00 N ATOM 603 CA HIS A 162 5.070 -1.407 -0.156 1.00 0.00 C ATOM 604 C HIS A 162 6.186 -2.399 0.170 1.00 0.00 C ATOM 605 O HIS A 162 7.142 -2.526 -0.596 1.00 0.00 O ATOM 606 CB HIS A 162 5.709 -0.068 -0.540 1.00 0.00 C ATOM 607 CG HIS A 162 4.769 0.906 -1.207 1.00 0.00 C ATOM 608 ND1 HIS A 162 3.769 0.564 -2.124 1.00 0.00 N ATOM 609 CD2 HIS A 162 4.775 2.260 -1.027 1.00 0.00 C ATOM 610 CE1 HIS A 162 3.199 1.727 -2.474 1.00 0.00 C ATOM 611 NE2 HIS A 162 3.782 2.759 -1.839 1.00 0.00 N ATOM 0 H HIS A 162 4.204 -0.284 1.368 1.00 0.00 H new ATOM 0 HA HIS A 162 4.476 -1.796 -0.983 1.00 0.00 H new ATOM 0 HB2 HIS A 162 6.116 0.397 0.358 1.00 0.00 H new ATOM 0 HB3 HIS A 162 6.548 -0.259 -1.209 1.00 0.00 H new ATOM 0 HD2 HIS A 162 5.428 2.825 -0.378 1.00 0.00 H new ATOM 0 HE1 HIS A 162 2.381 1.822 -3.173 1.00 0.00 H new ATOM 0 HE2 HIS A 162 3.531 3.742 -1.941 1.00 0.00 H new ATOM 619 N PHE A 163 6.083 -3.106 1.298 1.00 0.00 N ATOM 620 CA PHE A 163 7.185 -3.890 1.824 1.00 0.00 C ATOM 621 C PHE A 163 6.783 -5.310 2.193 1.00 0.00 C ATOM 622 O PHE A 163 7.560 -6.244 1.983 1.00 0.00 O ATOM 623 CB PHE A 163 7.649 -3.152 3.069 1.00 0.00 C ATOM 624 CG PHE A 163 9.087 -3.348 3.419 1.00 0.00 C ATOM 625 CD1 PHE A 163 9.494 -4.516 4.078 1.00 0.00 C ATOM 626 CD2 PHE A 163 10.013 -2.356 3.091 1.00 0.00 C ATOM 627 CE1 PHE A 163 10.850 -4.687 4.394 1.00 0.00 C ATOM 628 CE2 PHE A 163 11.360 -2.513 3.421 1.00 0.00 C ATOM 629 CZ PHE A 163 11.778 -3.685 4.063 1.00 0.00 C ATOM 0 H PHE A 163 5.235 -3.146 1.864 1.00 0.00 H new ATOM 0 HA PHE A 163 7.963 -3.990 1.067 1.00 0.00 H new ATOM 0 HB2 PHE A 163 7.466 -2.086 2.931 1.00 0.00 H new ATOM 0 HB3 PHE A 163 7.038 -3.473 3.913 1.00 0.00 H new ATOM 0 HD1 PHE A 163 8.772 -5.276 4.339 1.00 0.00 H new ATOM 0 HD2 PHE A 163 9.685 -1.463 2.580 1.00 0.00 H new ATOM 0 HE1 PHE A 163 11.180 -5.587 4.891 1.00 0.00 H new ATOM 0 HE2 PHE A 163 12.073 -1.738 3.183 1.00 0.00 H new ATOM 0 HZ PHE A 163 12.822 -3.820 4.306 1.00 0.00 H new ATOM 639 N CYS A 164 5.573 -5.476 2.738 1.00 0.00 N ATOM 640 CA CYS A 164 5.054 -6.790 3.087 1.00 0.00 C ATOM 641 C CYS A 164 3.628 -6.982 2.562 1.00 0.00 C ATOM 642 O CYS A 164 3.001 -8.013 2.809 1.00 0.00 O ATOM 643 CB CYS A 164 5.084 -6.905 4.603 1.00 0.00 C ATOM 644 SG CYS A 164 3.871 -5.738 5.253 1.00 0.00 S ATOM 0 H CYS A 164 4.936 -4.707 2.946 1.00 0.00 H new ATOM 0 HA CYS A 164 5.667 -7.566 2.629 1.00 0.00 H new ATOM 0 HB2 CYS A 164 4.846 -7.921 4.916 1.00 0.00 H new ATOM 0 HB3 CYS A 164 6.079 -6.678 4.986 1.00 0.00 H new ATOM 0 HG CYS A 164 4.272 -4.523 5.023 1.00 0.00 H new ATOM 649 N GLN A 165 3.138 -5.974 1.840 1.00 0.00 N ATOM 650 CA GLN A 165 1.801 -5.929 1.259 1.00 0.00 C ATOM 651 C GLN A 165 0.695 -6.052 2.311 1.00 0.00 C ATOM 652 O GLN A 165 -0.419 -6.464 1.994 1.00 0.00 O ATOM 653 CB GLN A 165 1.665 -6.939 0.112 1.00 0.00 C ATOM 654 CG GLN A 165 2.573 -6.563 -1.062 1.00 0.00 C ATOM 655 CD GLN A 165 4.059 -6.696 -0.748 1.00 0.00 C ATOM 656 OE1 GLN A 165 4.569 -7.794 -0.547 1.00 0.00 O ATOM 657 NE2 GLN A 165 4.779 -5.576 -0.698 1.00 0.00 N ATOM 0 H GLN A 165 3.684 -5.136 1.638 1.00 0.00 H new ATOM 0 HA GLN A 165 1.665 -4.939 0.824 1.00 0.00 H new ATOM 0 HB2 GLN A 165 1.921 -7.937 0.469 1.00 0.00 H new ATOM 0 HB3 GLN A 165 0.628 -6.977 -0.223 1.00 0.00 H new ATOM 0 HG2 GLN A 165 2.332 -7.197 -1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 165 2.363 -5.535 -1.359 1.00 0.00 H new ATOM 0 HE21 GLN A 165 4.333 -4.675 -0.869 1.00 0.00 H new ATOM 0 HE22 GLN A 165 5.776 -5.620 -0.489 1.00 0.00 H new ATOM 666 N SER A 166 0.987 -5.695 3.562 1.00 0.00 N ATOM 667 CA SER A 166 -0.006 -5.688 4.621 1.00 0.00 C ATOM 668 C SER A 166 -0.746 -4.357 4.639 1.00 0.00 C ATOM 669 O SER A 166 -0.140 -3.319 4.887 1.00 0.00 O ATOM 670 CB SER A 166 0.695 -5.882 5.965 1.00 0.00 C ATOM 671 OG SER A 166 1.432 -7.084 5.962 1.00 0.00 O ATOM 0 H SER A 166 1.917 -5.404 3.863 1.00 0.00 H new ATOM 0 HA SER A 166 -0.719 -6.494 4.445 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.359 -5.040 6.162 1.00 0.00 H new ATOM 0 HB3 SER A 166 -0.042 -5.901 6.768 1.00 0.00 H new ATOM 0 HG SER A 166 2.388 -6.881 5.891 1.00 0.00 H new ATOM 677 N ILE A 167 -2.060 -4.379 4.382 1.00 0.00 N ATOM 678 CA ILE A 167 -2.923 -3.209 4.523 1.00 0.00 C ATOM 679 C ILE A 167 -3.091 -2.786 5.973 1.00 0.00 C ATOM 680 O ILE A 167 -3.512 -1.665 6.249 1.00 0.00 O ATOM 681 CB ILE A 167 -4.307 -3.524 3.955 1.00 0.00 C ATOM 682 CG1 ILE A 167 -4.922 -4.714 4.698 1.00 0.00 C ATOM 683 CG2 ILE A 167 -4.185 -3.815 2.465 1.00 0.00 C ATOM 684 CD1 ILE A 167 -6.051 -5.349 3.900 1.00 0.00 C ATOM 0 H ILE A 167 -2.553 -5.215 4.069 1.00 0.00 H new ATOM 0 HA ILE A 167 -2.447 -2.393 3.979 1.00 0.00 H new ATOM 0 HB ILE A 167 -4.965 -2.666 4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -4.151 -5.459 4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -5.300 -4.384 5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -5.170 -4.040 2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.772 -2.944 1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -3.526 -4.670 2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -6.463 -6.190 4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -6.834 -4.611 3.726 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -5.666 -5.702 2.943 1.00 0.00 H new ATOM 696 N SER A 168 -2.762 -3.688 6.899 1.00 0.00 N ATOM 697 CA SER A 168 -2.786 -3.427 8.331 1.00 0.00 C ATOM 698 C SER A 168 -2.020 -2.145 8.646 1.00 0.00 C ATOM 699 O SER A 168 -2.507 -1.291 9.378 1.00 0.00 O ATOM 700 CB SER A 168 -2.237 -4.637 9.070 1.00 0.00 C ATOM 701 OG SER A 168 -0.890 -4.847 8.719 1.00 0.00 O ATOM 0 H SER A 168 -2.467 -4.636 6.666 1.00 0.00 H new ATOM 0 HA SER A 168 -3.810 -3.270 8.670 1.00 0.00 H new ATOM 0 HB2 SER A 168 -2.321 -4.485 10.146 1.00 0.00 H new ATOM 0 HB3 SER A 168 -2.827 -5.521 8.826 1.00 0.00 H new ATOM 0 HG SER A 168 -0.324 -4.206 9.198 1.00 0.00 H new ATOM 707 N HIS A 169 -0.819 -2.021 8.078 1.00 0.00 N ATOM 708 CA HIS A 169 0.064 -0.886 8.272 1.00 0.00 C ATOM 709 C HIS A 169 0.545 -0.361 6.919 1.00 0.00 C ATOM 710 O HIS A 169 -0.050 -0.638 5.879 1.00 0.00 O ATOM 711 CB HIS A 169 1.244 -1.294 9.163 1.00 0.00 C ATOM 712 CG HIS A 169 2.024 -2.476 8.634 1.00 0.00 C ATOM 713 ND1 HIS A 169 1.928 -3.772 9.082 1.00 0.00 N ATOM 714 CD2 HIS A 169 2.957 -2.472 7.634 1.00 0.00 C ATOM 715 CE1 HIS A 169 2.788 -4.518 8.371 1.00 0.00 C ATOM 716 NE2 HIS A 169 3.445 -3.767 7.474 1.00 0.00 N ATOM 0 H HIS A 169 -0.430 -2.729 7.456 1.00 0.00 H new ATOM 0 HA HIS A 169 -0.478 -0.083 8.771 1.00 0.00 H new ATOM 0 HB2 HIS A 169 1.918 -0.444 9.270 1.00 0.00 H new ATOM 0 HB3 HIS A 169 0.871 -1.533 10.159 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.264 -1.608 7.063 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.932 -5.580 8.503 1.00 0.00 H new ATOM 0 HE2 HIS A 169 4.155 -4.080 6.812 1.00 0.00 H new ATOM 724 N MET A 170 1.642 0.395 6.938 1.00 0.00 N ATOM 725 CA MET A 170 2.265 0.944 5.751 1.00 0.00 C ATOM 726 C MET A 170 3.749 0.639 5.830 1.00 0.00 C ATOM 727 O MET A 170 4.258 0.332 6.909 1.00 0.00 O ATOM 728 CB MET A 170 2.078 2.464 5.770 1.00 0.00 C ATOM 729 CG MET A 170 0.617 2.903 5.676 1.00 0.00 C ATOM 730 SD MET A 170 0.047 3.328 4.016 1.00 0.00 S ATOM 731 CE MET A 170 -0.028 1.701 3.238 1.00 0.00 C ATOM 0 H MET A 170 2.127 0.644 7.800 1.00 0.00 H new ATOM 0 HA MET A 170 1.829 0.522 4.846 1.00 0.00 H new ATOM 0 HB2 MET A 170 2.510 2.863 6.688 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.634 2.900 4.940 1.00 0.00 H new ATOM 0 HG2 MET A 170 -0.012 2.102 6.065 1.00 0.00 H new ATOM 0 HG3 MET A 170 0.471 3.767 6.325 1.00 0.00 H new ATOM 0 HE1 MET A 170 -0.707 1.736 2.386 1.00 0.00 H new ATOM 0 HE2 MET A 170 0.967 1.414 2.897 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.389 0.969 3.960 1.00 0.00 H new ATOM 741 N VAL A 171 4.465 0.720 4.710 1.00 0.00 N ATOM 742 CA VAL A 171 5.913 0.572 4.726 1.00 0.00 C ATOM 743 C VAL A 171 6.505 1.607 5.664 1.00 0.00 C ATOM 744 O VAL A 171 7.616 1.457 6.168 1.00 0.00 O ATOM 745 CB VAL A 171 6.470 0.759 3.319 1.00 0.00 C ATOM 746 CG1 VAL A 171 6.371 2.218 2.915 1.00 0.00 C ATOM 747 CG2 VAL A 171 7.935 0.372 3.248 1.00 0.00 C ATOM 0 H VAL A 171 4.066 0.886 3.786 1.00 0.00 H new ATOM 0 HA VAL A 171 6.177 -0.427 5.074 1.00 0.00 H new ATOM 0 HB VAL A 171 5.886 0.122 2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 171 6.771 2.345 1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.327 2.530 2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 171 6.944 2.828 3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 171 8.301 0.517 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 171 8.510 0.995 3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 171 8.049 -0.675 3.528 1.00 0.00 H new ATOM 757 N ALA A 172 5.733 2.673 5.894 1.00 0.00 N ATOM 758 CA ALA A 172 6.107 3.735 6.787 1.00 0.00 C ATOM 759 C ALA A 172 6.222 3.245 8.233 1.00 0.00 C ATOM 760 O ALA A 172 6.711 3.959 9.108 1.00 0.00 O ATOM 761 CB ALA A 172 5.058 4.837 6.699 1.00 0.00 C ATOM 0 H ALA A 172 4.824 2.809 5.453 1.00 0.00 H new ATOM 0 HA ALA A 172 7.086 4.111 6.490 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.328 5.651 7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 172 5.009 5.212 5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 172 4.085 4.437 6.985 1.00 0.00 H new ATOM 767 N SER A 173 5.758 2.018 8.458 1.00 0.00 N ATOM 768 CA SER A 173 5.711 1.398 9.766 1.00 0.00 C ATOM 769 C SER A 173 5.936 -0.109 9.669 1.00 0.00 C ATOM 770 O SER A 173 5.670 -0.827 10.631 1.00 0.00 O ATOM 771 CB SER A 173 4.342 1.664 10.392 1.00 0.00 C ATOM 772 OG SER A 173 4.444 1.662 11.802 1.00 0.00 O ATOM 0 H SER A 173 5.398 1.420 7.715 1.00 0.00 H new ATOM 0 HA SER A 173 6.503 1.824 10.382 1.00 0.00 H new ATOM 0 HB2 SER A 173 3.957 2.624 10.049 1.00 0.00 H new ATOM 0 HB3 SER A 173 3.632 0.902 10.070 1.00 0.00 H new ATOM 0 HG SER A 173 4.894 0.843 12.096 1.00 0.00 H new ATOM 778 N CYS A 174 6.420 -0.596 8.517 1.00 0.00 N ATOM 779 CA CYS A 174 6.570 -2.042 8.335 1.00 0.00 C ATOM 780 C CYS A 174 7.378 -2.641 9.487 1.00 0.00 C ATOM 781 O CYS A 174 8.428 -2.106 9.851 1.00 0.00 O ATOM 782 CB CYS A 174 7.202 -2.372 6.988 1.00 0.00 C ATOM 783 SG CYS A 174 6.894 -4.113 6.599 1.00 0.00 S ATOM 0 H CYS A 174 6.706 -0.027 7.720 1.00 0.00 H new ATOM 0 HA CYS A 174 5.576 -2.490 8.342 1.00 0.00 H new ATOM 0 HB2 CYS A 174 6.784 -1.733 6.210 1.00 0.00 H new ATOM 0 HB3 CYS A 174 8.274 -2.177 7.018 1.00 0.00 H new ATOM 0 HG CYS A 174 6.029 -4.195 5.632 1.00 0.00 H new ATOM 788 N PRO A 175 6.910 -3.747 10.073 1.00 0.00 N ATOM 789 CA PRO A 175 7.606 -4.437 11.136 1.00 0.00 C ATOM 790 C PRO A 175 8.796 -5.218 10.583 1.00 0.00 C ATOM 791 O PRO A 175 9.671 -5.626 11.341 1.00 0.00 O ATOM 792 CB PRO A 175 6.568 -5.394 11.716 1.00 0.00 C ATOM 793 CG PRO A 175 5.692 -5.725 10.512 1.00 0.00 C ATOM 794 CD PRO A 175 5.663 -4.405 9.751 1.00 0.00 C ATOM 0 HA PRO A 175 8.004 -3.749 11.882 1.00 0.00 H new ATOM 0 HB2 PRO A 175 7.032 -6.287 12.134 1.00 0.00 H new ATOM 0 HB3 PRO A 175 5.993 -4.928 12.517 1.00 0.00 H new ATOM 0 HG2 PRO A 175 6.115 -6.530 9.912 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.693 -6.042 10.812 1.00 0.00 H new ATOM 0 HD2 PRO A 175 5.573 -4.572 8.678 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.809 -3.797 10.051 1.00 0.00 H new ATOM 802 N LEU A 176 8.838 -5.429 9.265 1.00 0.00 N ATOM 803 CA LEU A 176 9.923 -6.170 8.654 1.00 0.00 C ATOM 804 C LEU A 176 11.127 -5.275 8.449 1.00 0.00 C ATOM 805 O LEU A 176 12.227 -5.627 8.860 1.00 0.00 O ATOM 806 CB LEU A 176 9.475 -6.679 7.288 1.00 0.00 C ATOM 807 CG LEU A 176 8.208 -7.517 7.385 1.00 0.00 C ATOM 808 CD1 LEU A 176 7.904 -8.086 6.003 1.00 0.00 C ATOM 809 CD2 LEU A 176 8.411 -8.653 8.378 1.00 0.00 C ATOM 0 H LEU A 176 8.131 -5.095 8.610 1.00 0.00 H new ATOM 0 HA LEU A 176 10.190 -6.998 9.311 1.00 0.00 H new ATOM 0 HB2 LEU A 176 9.301 -5.832 6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 176 10.272 -7.275 6.843 1.00 0.00 H new ATOM 0 HG LEU A 176 7.377 -6.901 7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 176 6.998 -8.691 6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.758 -7.268 5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 176 8.738 -8.706 5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 176 7.500 -9.248 8.442 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.234 -9.285 8.045 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.644 -8.241 9.360 1.00 0.00 H new ATOM 821 N LYS A 177 10.927 -4.114 7.823 1.00 0.00 N ATOM 822 CA LYS A 177 12.032 -3.221 7.495 1.00 0.00 C ATOM 823 C LYS A 177 12.831 -2.832 8.729 1.00 0.00 C ATOM 824 O LYS A 177 13.926 -2.292 8.603 1.00 0.00 O ATOM 825 CB LYS A 177 11.492 -1.996 6.770 1.00 0.00 C ATOM 826 CG LYS A 177 10.779 -1.091 7.760 1.00 0.00 C ATOM 827 CD LYS A 177 10.286 0.170 7.040 1.00 0.00 C ATOM 828 CE LYS A 177 11.451 1.008 6.521 1.00 0.00 C ATOM 829 NZ LYS A 177 10.990 2.297 5.982 1.00 0.00 N ATOM 0 H LYS A 177 10.010 -3.773 7.535 1.00 0.00 H new ATOM 0 HA LYS A 177 12.722 -3.748 6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 177 12.308 -1.456 6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 177 10.805 -2.301 5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 177 9.937 -1.618 8.209 1.00 0.00 H new ATOM 0 HG3 LYS A 177 11.454 -0.819 8.571 1.00 0.00 H new ATOM 0 HD2 LYS A 177 9.641 -0.113 6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 177 9.682 0.768 7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 177 12.162 1.183 7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 177 11.980 0.456 5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 11.807 2.841 5.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 10.330 2.129 5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 10.507 2.833 6.731 1.00 0.00 H new ATOM 843 N ALA A 178 12.292 -3.103 9.915 1.00 0.00 N ATOM 844 CA ALA A 178 12.967 -2.805 11.158 1.00 0.00 C ATOM 845 C ALA A 178 14.304 -3.538 11.260 1.00 0.00 C ATOM 846 O ALA A 178 15.134 -3.205 12.102 1.00 0.00 O ATOM 847 CB ALA A 178 12.059 -3.236 12.299 1.00 0.00 C ATOM 0 H ALA A 178 11.376 -3.535 10.033 1.00 0.00 H new ATOM 0 HA ALA A 178 13.176 -1.736 11.205 1.00 0.00 H new ATOM 0 HB1 ALA A 178 12.545 -3.022 13.251 1.00 0.00 H new ATOM 0 HB2 ALA A 178 11.118 -2.690 12.241 1.00 0.00 H new ATOM 0 HB3 ALA A 178 11.863 -4.306 12.224 1.00 0.00 H new ATOM 853 N GLN A 179 14.508 -4.539 10.402 1.00 0.00 N ATOM 854 CA GLN A 179 15.750 -5.292 10.326 1.00 0.00 C ATOM 855 C GLN A 179 16.074 -5.626 8.871 1.00 0.00 C ATOM 856 O GLN A 179 16.835 -6.553 8.594 1.00 0.00 O ATOM 857 CB GLN A 179 15.664 -6.547 11.207 1.00 0.00 C ATOM 858 CG GLN A 179 14.457 -7.427 10.877 1.00 0.00 C ATOM 859 CD GLN A 179 13.217 -7.080 11.699 1.00 0.00 C ATOM 860 OE1 GLN A 179 13.317 -6.646 12.843 1.00 0.00 O ATOM 861 NE2 GLN A 179 12.042 -7.268 11.119 1.00 0.00 N ATOM 0 H GLN A 179 13.803 -4.850 9.734 1.00 0.00 H new ATOM 0 HA GLN A 179 16.569 -4.684 10.709 1.00 0.00 H new ATOM 0 HB2 GLN A 179 16.576 -7.131 11.087 1.00 0.00 H new ATOM 0 HB3 GLN A 179 15.613 -6.247 12.254 1.00 0.00 H new ATOM 0 HG2 GLN A 179 14.222 -7.328 9.817 1.00 0.00 H new ATOM 0 HG3 GLN A 179 14.719 -8.471 11.049 1.00 0.00 H new ATOM 0 HE21 GLN A 179 11.996 -7.630 10.167 1.00 0.00 H new ATOM 0 HE22 GLN A 179 11.183 -7.050 11.624 1.00 0.00 H new ATOM 870 N GLN A 180 15.492 -4.872 7.931 1.00 0.00 N ATOM 871 CA GLN A 180 15.729 -5.047 6.503 1.00 0.00 C ATOM 872 C GLN A 180 15.995 -3.704 5.826 1.00 0.00 C ATOM 873 O GLN A 180 16.459 -3.661 4.688 1.00 0.00 O ATOM 874 CB GLN A 180 14.505 -5.699 5.852 1.00 0.00 C ATOM 875 CG GLN A 180 13.939 -6.865 6.660 1.00 0.00 C ATOM 876 CD GLN A 180 14.837 -8.096 6.630 1.00 0.00 C ATOM 877 OE1 GLN A 180 15.755 -8.202 5.818 1.00 0.00 O ATOM 878 NE2 GLN A 180 14.584 -9.043 7.526 1.00 0.00 N ATOM 0 H GLN A 180 14.839 -4.119 8.147 1.00 0.00 H new ATOM 0 HA GLN A 180 16.604 -5.685 6.379 1.00 0.00 H new ATOM 0 HB2 GLN A 180 13.728 -4.946 5.721 1.00 0.00 H new ATOM 0 HB3 GLN A 180 14.777 -6.053 4.858 1.00 0.00 H new ATOM 0 HG2 GLN A 180 13.797 -6.550 7.694 1.00 0.00 H new ATOM 0 HG3 GLN A 180 12.956 -7.128 6.269 1.00 0.00 H new ATOM 0 HE21 GLN A 180 13.816 -8.928 8.187 1.00 0.00 H new ATOM 0 HE22 GLN A 180 15.158 -9.886 7.553 1.00 0.00 H new ATOM 887 N GLY A 181 15.697 -2.607 6.521 1.00 0.00 N ATOM 888 CA GLY A 181 15.888 -1.254 6.020 1.00 0.00 C ATOM 889 C GLY A 181 15.540 -0.199 7.073 1.00 0.00 C ATOM 890 O GLY A 181 14.733 0.685 6.795 1.00 0.00 O ATOM 0 H GLY A 181 15.310 -2.638 7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 181 16.924 -1.126 5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 181 15.267 -1.103 5.137 1.00 0.00 H new