USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 798 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 65 TYR OH : rot 91:sc= 1.1 USER MOD Set 1.2: B 13 ASN : amide:sc= -1.13 K(o=-0.031,f=-0.87!) USER MOD Set 2.1: A 80 CYS SG : rot -75:sc= 0.414 USER MOD Set 2.2: A 82 THR OG1 : rot 129:sc= 1.63 USER MOD Set 3.1: A 61 CYS SG : rot -59:sc= -0.0982 USER MOD Set 3.2: A 76 SER OG : rot 180:sc= -0.143 USER MOD Set 4.1: A 70 ASN :FLIP amide:sc= -0.0512 F(o=-0.96,f=-0.007) USER MOD Set 4.2: A 90 LYS NZ :NH3+ -117:sc= 0.0442 (180deg=0) USER MOD Set 5.1: A 17 HIS : no HD1:sc= -7.46! C(o=-9!,f=-14!) USER MOD Set 5.2: A 19 THR OG1 : rot 13:sc= -1.53! USER MOD Set 5.3: A 20 LYS NZ :NH3+ 179:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -1.38 K(o=-1.4,f=-7.2!) USER MOD Single : A 22 LYS NZ :NH3+ 151:sc= 1.16 (180deg=0.127) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.704 K(o=-0.7,f=-2!) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00254 USER MOD Single : A 38 MET CE :methyl 177:sc= -1.91 (180deg=-1.94!) USER MOD Single : A 41 THR OG1 : rot 12:sc= 0.491 USER MOD Single : A 42 GLN : amide:sc= -1.15 X(o=-1.1,f=-1.3) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.0552 X(o=0.055,f=-0.28) USER MOD Single : A 59 TYR OH : rot 152:sc= 0.0153 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 140:sc= -0.196 USER MOD Single : A 81 GLN : amide:sc= -0.0616 K(o=-0.062,f=-0.58) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 91 CYS SG : rot 85:sc= 0.68 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.215 K(o=-0.21,f=-0.9) USER MOD Single : A 102 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.6) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 6 HIS : no HD1:sc= -0.0678 X(o=-0.068,f=0) USER MOD Single : B 9 CYS SG : rot -65:sc= 0.389 USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 14 16.574 12.281 -7.048 1.00 0.00 N ATOM 163 CA PRO A 14 15.775 12.137 -8.269 1.00 0.00 C ATOM 164 C PRO A 14 14.430 11.470 -8.006 1.00 0.00 C ATOM 165 O PRO A 14 14.317 10.593 -7.149 1.00 0.00 O ATOM 166 CB PRO A 14 16.648 11.249 -9.160 1.00 0.00 C ATOM 167 CG PRO A 14 17.498 10.479 -8.211 1.00 0.00 C ATOM 168 CD PRO A 14 17.748 11.393 -7.043 1.00 0.00 C ATOM 0 HA PRO A 14 15.531 13.102 -8.713 1.00 0.00 H new ATOM 0 HB2 PRO A 14 16.040 10.585 -9.775 1.00 0.00 H new ATOM 0 HB3 PRO A 14 17.255 11.846 -9.840 1.00 0.00 H new ATOM 0 HG2 PRO A 14 16.997 9.565 -7.891 1.00 0.00 H new ATOM 0 HG3 PRO A 14 18.435 10.181 -8.681 1.00 0.00 H new ATOM 0 HD2 PRO A 14 17.828 10.838 -6.108 1.00 0.00 H new ATOM 0 HD3 PRO A 14 18.676 11.953 -7.162 1.00 0.00 H new ATOM 176 N ASP A 15 13.412 11.890 -8.749 1.00 0.00 N ATOM 177 CA ASP A 15 12.073 11.332 -8.598 1.00 0.00 C ATOM 178 C ASP A 15 12.060 9.848 -8.949 1.00 0.00 C ATOM 179 O ASP A 15 11.045 9.171 -8.791 1.00 0.00 O ATOM 180 CB ASP A 15 11.079 12.087 -9.482 1.00 0.00 C ATOM 181 CG ASP A 15 11.642 12.388 -10.858 1.00 0.00 C ATOM 182 OD1 ASP A 15 12.416 11.558 -11.377 1.00 0.00 O ATOM 183 OD2 ASP A 15 11.306 13.454 -11.414 1.00 0.00 O ATOM 0 H ASP A 15 13.488 12.615 -9.462 1.00 0.00 H new ATOM 0 HA ASP A 15 11.776 11.443 -7.555 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.168 11.497 -9.586 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.800 13.021 -8.994 1.00 0.00 H new ATOM 188 N ASN A 16 13.195 9.348 -9.428 1.00 0.00 N ATOM 189 CA ASN A 16 13.314 7.944 -9.803 1.00 0.00 C ATOM 190 C ASN A 16 14.532 7.305 -9.142 1.00 0.00 C ATOM 191 O ASN A 16 15.261 6.537 -9.770 1.00 0.00 O ATOM 192 CB ASN A 16 13.416 7.808 -11.324 1.00 0.00 C ATOM 193 CG ASN A 16 14.643 8.500 -11.886 1.00 0.00 C ATOM 194 OD1 ASN A 16 15.019 9.582 -11.436 1.00 0.00 O ATOM 195 ND2 ASN A 16 15.273 7.876 -12.874 1.00 0.00 N ATOM 0 H ASN A 16 14.045 9.895 -9.565 1.00 0.00 H new ATOM 0 HA ASN A 16 12.420 7.425 -9.457 1.00 0.00 H new ATOM 0 HB2 ASN A 16 13.444 6.751 -11.590 1.00 0.00 H new ATOM 0 HB3 ASN A 16 12.522 8.229 -11.784 1.00 0.00 H new ATOM 0 HD21 ASN A 16 16.105 8.293 -13.292 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.925 6.980 -13.215 1.00 0.00 H new ATOM 202 N HIS A 17 14.745 7.627 -7.870 1.00 0.00 N ATOM 203 CA HIS A 17 15.873 7.084 -7.123 1.00 0.00 C ATOM 204 C HIS A 17 15.617 5.632 -6.731 1.00 0.00 C ATOM 205 O HIS A 17 14.536 5.271 -6.265 1.00 0.00 O ATOM 206 CB HIS A 17 16.135 7.923 -5.872 1.00 0.00 C ATOM 207 CG HIS A 17 17.576 7.960 -5.466 1.00 0.00 C ATOM 208 ND1 HIS A 17 18.018 7.562 -4.222 1.00 0.00 N ATOM 209 CD2 HIS A 17 18.679 8.349 -6.148 1.00 0.00 C ATOM 210 CE1 HIS A 17 19.330 7.706 -4.156 1.00 0.00 C ATOM 211 NE2 HIS A 17 19.755 8.182 -5.312 1.00 0.00 N ATOM 0 H HIS A 17 14.151 8.261 -7.336 1.00 0.00 H new ATOM 0 HA HIS A 17 16.753 7.119 -7.766 1.00 0.00 H new ATOM 0 HB2 HIS A 17 15.790 8.942 -6.049 1.00 0.00 H new ATOM 0 HB3 HIS A 17 15.544 7.525 -5.047 1.00 0.00 H new ATOM 0 HD2 HIS A 17 18.707 8.721 -7.161 1.00 0.00 H new ATOM 0 HE1 HIS A 17 19.949 7.474 -3.302 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.725 8.392 -5.546 1.00 0.00 H new ATOM 220 N PRO A 18 16.633 4.778 -6.924 1.00 0.00 N ATOM 221 CA PRO A 18 16.542 3.352 -6.598 1.00 0.00 C ATOM 222 C PRO A 18 16.490 3.103 -5.094 1.00 0.00 C ATOM 223 O PRO A 18 16.017 2.060 -4.642 1.00 0.00 O ATOM 224 CB PRO A 18 17.826 2.769 -7.192 1.00 0.00 C ATOM 225 CG PRO A 18 18.781 3.912 -7.224 1.00 0.00 C ATOM 226 CD PRO A 18 17.950 5.139 -7.475 1.00 0.00 C ATOM 0 HA PRO A 18 15.631 2.902 -6.992 1.00 0.00 H new ATOM 0 HB2 PRO A 18 18.208 1.950 -6.582 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.654 2.369 -8.191 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.323 3.994 -6.282 1.00 0.00 H new ATOM 0 HG3 PRO A 18 19.525 3.777 -8.009 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.367 6.015 -6.978 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.890 5.373 -8.538 1.00 0.00 H new ATOM 234 N THR A 19 16.978 4.069 -4.322 1.00 0.00 N ATOM 235 CA THR A 19 16.988 3.954 -2.869 1.00 0.00 C ATOM 236 C THR A 19 15.949 4.874 -2.238 1.00 0.00 C ATOM 237 O THR A 19 15.437 4.597 -1.153 1.00 0.00 O ATOM 238 CB THR A 19 18.375 4.291 -2.288 1.00 0.00 C ATOM 239 OG1 THR A 19 18.835 5.542 -2.813 1.00 0.00 O ATOM 240 CG2 THR A 19 19.379 3.197 -2.618 1.00 0.00 C ATOM 0 H THR A 19 17.371 4.940 -4.679 1.00 0.00 H new ATOM 0 HA THR A 19 16.745 2.918 -2.632 1.00 0.00 H new ATOM 0 HB THR A 19 18.283 4.364 -1.204 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.093 6.003 -3.258 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.351 3.456 -2.198 1.00 0.00 H new ATOM 0 HG22 THR A 19 19.040 2.252 -2.193 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.466 3.098 -3.700 1.00 0.00 H new ATOM 248 N LYS A 20 15.640 5.969 -2.924 1.00 0.00 N ATOM 249 CA LYS A 20 14.659 6.929 -2.433 1.00 0.00 C ATOM 250 C LYS A 20 13.423 6.950 -3.326 1.00 0.00 C ATOM 251 O LYS A 20 13.474 6.536 -4.484 1.00 0.00 O ATOM 252 CB LYS A 20 15.275 8.329 -2.364 1.00 0.00 C ATOM 253 CG LYS A 20 15.910 8.649 -1.022 1.00 0.00 C ATOM 254 CD LYS A 20 17.359 8.192 -0.967 1.00 0.00 C ATOM 255 CE LYS A 20 18.302 9.273 -1.473 1.00 0.00 C ATOM 256 NZ LYS A 20 19.709 9.019 -1.056 1.00 0.00 N ATOM 0 H LYS A 20 16.055 6.214 -3.823 1.00 0.00 H new ATOM 0 HA LYS A 20 14.357 6.621 -1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.029 8.424 -3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.502 9.068 -2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 20 15.859 9.723 -0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.344 8.165 -0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.621 7.930 0.058 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.481 7.291 -1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.248 9.322 -2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.980 10.243 -1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.324 9.768 -1.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.768 9.014 -0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 20.019 8.097 -1.425 1.00 0.00 H new ATOM 270 N PHE A 21 12.313 7.436 -2.780 1.00 0.00 N ATOM 271 CA PHE A 21 11.063 7.511 -3.528 1.00 0.00 C ATOM 272 C PHE A 21 10.138 8.571 -2.936 1.00 0.00 C ATOM 273 O PHE A 21 9.532 8.366 -1.885 1.00 0.00 O ATOM 274 CB PHE A 21 10.363 6.151 -3.530 1.00 0.00 C ATOM 275 CG PHE A 21 11.221 5.035 -4.054 1.00 0.00 C ATOM 276 CD1 PHE A 21 12.201 4.464 -3.258 1.00 0.00 C ATOM 277 CD2 PHE A 21 11.049 4.558 -5.344 1.00 0.00 C ATOM 278 CE1 PHE A 21 12.992 3.438 -3.738 1.00 0.00 C ATOM 279 CE2 PHE A 21 11.837 3.532 -5.828 1.00 0.00 C ATOM 280 CZ PHE A 21 12.811 2.971 -5.025 1.00 0.00 C ATOM 0 H PHE A 21 12.253 7.784 -1.823 1.00 0.00 H new ATOM 0 HA PHE A 21 11.299 7.792 -4.554 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.050 5.911 -2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.459 6.218 -4.135 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.348 4.825 -2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.290 4.993 -5.978 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.752 3.001 -3.107 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.692 3.168 -6.834 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.429 2.170 -5.402 1.00 0.00 H new ATOM 290 N LYS A 22 10.035 9.706 -3.620 1.00 0.00 N ATOM 291 CA LYS A 22 9.185 10.799 -3.165 1.00 0.00 C ATOM 292 C LYS A 22 7.745 10.328 -2.981 1.00 0.00 C ATOM 293 O LYS A 22 7.248 9.503 -3.747 1.00 0.00 O ATOM 294 CB LYS A 22 9.230 11.957 -4.164 1.00 0.00 C ATOM 295 CG LYS A 22 10.415 12.886 -3.965 1.00 0.00 C ATOM 296 CD LYS A 22 11.627 12.420 -4.755 1.00 0.00 C ATOM 297 CE LYS A 22 12.593 11.633 -3.883 1.00 0.00 C ATOM 298 NZ LYS A 22 13.268 10.547 -4.645 1.00 0.00 N ATOM 0 H LYS A 22 10.530 9.892 -4.492 1.00 0.00 H new ATOM 0 HA LYS A 22 9.562 11.143 -2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.262 11.552 -5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.309 12.534 -4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.144 13.895 -4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.667 12.935 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.302 11.800 -5.590 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.139 13.283 -5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.343 12.308 -3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.053 11.203 -3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.206 10.366 -4.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.695 9.680 -4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.375 10.835 -5.639 1.00 0.00 H new ATOM 312 N VAL A 23 7.080 10.859 -1.960 1.00 0.00 N ATOM 313 CA VAL A 23 5.696 10.496 -1.677 1.00 0.00 C ATOM 314 C VAL A 23 4.937 11.663 -1.058 1.00 0.00 C ATOM 315 O VAL A 23 5.516 12.708 -0.760 1.00 0.00 O ATOM 316 CB VAL A 23 5.617 9.285 -0.727 1.00 0.00 C ATOM 317 CG1 VAL A 23 6.170 8.040 -1.403 1.00 0.00 C ATOM 318 CG2 VAL A 23 6.362 9.575 0.567 1.00 0.00 C ATOM 0 H VAL A 23 7.477 11.542 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 23 5.237 10.233 -2.630 1.00 0.00 H new ATOM 0 HB VAL A 23 4.570 9.102 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.106 7.195 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.589 7.824 -2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.212 8.207 -1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.296 8.710 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.409 9.784 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.916 10.440 1.058 1.00 0.00 H new ATOM 328 N THR A 24 3.634 11.480 -0.867 1.00 0.00 N ATOM 329 CA THR A 24 2.793 12.518 -0.284 1.00 0.00 C ATOM 330 C THR A 24 1.623 11.912 0.482 1.00 0.00 C ATOM 331 O THR A 24 0.768 11.245 -0.098 1.00 0.00 O ATOM 332 CB THR A 24 2.247 13.471 -1.365 1.00 0.00 C ATOM 333 OG1 THR A 24 3.326 14.174 -1.989 1.00 0.00 O ATOM 334 CG2 THR A 24 1.267 14.466 -0.763 1.00 0.00 C ATOM 0 H THR A 24 3.138 10.622 -1.108 1.00 0.00 H new ATOM 0 HA THR A 24 3.420 13.083 0.405 1.00 0.00 H new ATOM 0 HB THR A 24 1.723 12.875 -2.112 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.970 14.776 -2.676 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.895 15.128 -1.545 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.432 13.928 -0.315 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.771 15.056 0.002 1.00 0.00 H new ATOM 342 N ASN A 25 1.591 12.151 1.789 1.00 0.00 N ATOM 343 CA ASN A 25 0.524 11.628 2.635 1.00 0.00 C ATOM 344 C ASN A 25 -0.826 12.213 2.232 1.00 0.00 C ATOM 345 O ASN A 25 -1.106 13.386 2.480 1.00 0.00 O ATOM 346 CB ASN A 25 0.810 11.942 4.105 1.00 0.00 C ATOM 347 CG ASN A 25 -0.255 11.390 5.032 1.00 0.00 C ATOM 348 OD1 ASN A 25 -0.886 12.134 5.784 1.00 0.00 O ATOM 349 ND2 ASN A 25 -0.460 10.079 4.984 1.00 0.00 N ATOM 0 H ASN A 25 2.291 12.703 2.285 1.00 0.00 H new ATOM 0 HA ASN A 25 0.486 10.547 2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.779 11.526 4.381 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.878 13.022 4.236 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.163 9.650 5.586 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.086 9.500 4.346 1.00 0.00 H new ATOM 356 N VAL A 26 -1.661 11.387 1.609 1.00 0.00 N ATOM 357 CA VAL A 26 -2.982 11.821 1.173 1.00 0.00 C ATOM 358 C VAL A 26 -4.080 11.128 1.972 1.00 0.00 C ATOM 359 O VAL A 26 -3.838 10.118 2.633 1.00 0.00 O ATOM 360 CB VAL A 26 -3.199 11.540 -0.326 1.00 0.00 C ATOM 361 CG1 VAL A 26 -2.086 12.165 -1.153 1.00 0.00 C ATOM 362 CG2 VAL A 26 -3.286 10.042 -0.580 1.00 0.00 C ATOM 0 H VAL A 26 -1.445 10.413 1.395 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.034 12.896 1.345 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.143 11.993 -0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.256 11.956 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.076 13.243 -0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.127 11.744 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.439 9.862 -1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.360 9.564 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.121 9.625 -0.017 1.00 0.00 H new ATOM 372 N ASP A 27 -5.288 11.677 1.908 1.00 0.00 N ATOM 373 CA ASP A 27 -6.425 11.111 2.625 1.00 0.00 C ATOM 374 C ASP A 27 -7.329 10.328 1.678 1.00 0.00 C ATOM 375 O ASP A 27 -7.026 10.182 0.493 1.00 0.00 O ATOM 376 CB ASP A 27 -7.223 12.219 3.314 1.00 0.00 C ATOM 377 CG ASP A 27 -8.028 13.048 2.332 1.00 0.00 C ATOM 378 OD1 ASP A 27 -7.739 12.977 1.120 1.00 0.00 O ATOM 379 OD2 ASP A 27 -8.946 13.769 2.777 1.00 0.00 O ATOM 0 H ASP A 27 -5.505 12.514 1.367 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.042 10.426 3.382 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.896 11.776 4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.540 12.870 3.860 1.00 0.00 H new ATOM 384 N ASP A 28 -8.439 9.827 2.208 1.00 0.00 N ATOM 385 CA ASP A 28 -9.388 9.059 1.410 1.00 0.00 C ATOM 386 C ASP A 28 -9.687 9.765 0.092 1.00 0.00 C ATOM 387 O ASP A 28 -9.630 9.157 -0.976 1.00 0.00 O ATOM 388 CB ASP A 28 -10.685 8.841 2.192 1.00 0.00 C ATOM 389 CG ASP A 28 -10.462 8.073 3.480 1.00 0.00 C ATOM 390 OD1 ASP A 28 -9.885 8.652 4.423 1.00 0.00 O ATOM 391 OD2 ASP A 28 -10.865 6.892 3.544 1.00 0.00 O ATOM 0 H ASP A 28 -8.704 9.939 3.187 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.939 8.091 1.188 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.134 9.807 2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.396 8.299 1.568 1.00 0.00 H new ATOM 396 N GLU A 29 -10.007 11.053 0.175 1.00 0.00 N ATOM 397 CA GLU A 29 -10.316 11.841 -1.012 1.00 0.00 C ATOM 398 C GLU A 29 -9.135 11.858 -1.977 1.00 0.00 C ATOM 399 O GLU A 29 -9.313 11.904 -3.194 1.00 0.00 O ATOM 400 CB GLU A 29 -10.688 13.273 -0.618 1.00 0.00 C ATOM 401 CG GLU A 29 -11.764 13.350 0.451 1.00 0.00 C ATOM 402 CD GLU A 29 -12.598 14.612 0.349 1.00 0.00 C ATOM 403 OE1 GLU A 29 -13.204 14.839 -0.718 1.00 0.00 O ATOM 404 OE2 GLU A 29 -12.644 15.374 1.339 1.00 0.00 O ATOM 0 H GLU A 29 -10.059 11.572 1.051 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.165 11.377 -1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.795 13.786 -0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.029 13.808 -1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.416 12.480 0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.297 13.306 1.435 1.00 0.00 H new ATOM 411 N GLY A 30 -7.926 11.820 -1.425 1.00 0.00 N ATOM 412 CA GLY A 30 -6.732 11.832 -2.250 1.00 0.00 C ATOM 413 C GLY A 30 -5.973 13.140 -2.152 1.00 0.00 C ATOM 414 O GLY A 30 -4.936 13.314 -2.793 1.00 0.00 O ATOM 0 H GLY A 30 -7.752 11.781 -0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.078 11.013 -1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.010 11.654 -3.289 1.00 0.00 H new ATOM 418 N VAL A 31 -6.490 14.064 -1.349 1.00 0.00 N ATOM 419 CA VAL A 31 -5.854 15.364 -1.169 1.00 0.00 C ATOM 420 C VAL A 31 -4.430 15.211 -0.645 1.00 0.00 C ATOM 421 O VAL A 31 -4.046 14.144 -0.167 1.00 0.00 O ATOM 422 CB VAL A 31 -6.655 16.251 -0.198 1.00 0.00 C ATOM 423 CG1 VAL A 31 -8.093 16.398 -0.671 1.00 0.00 C ATOM 424 CG2 VAL A 31 -6.604 15.679 1.211 1.00 0.00 C ATOM 0 H VAL A 31 -7.348 13.937 -0.812 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.828 15.842 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.201 17.242 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.643 17.028 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.106 16.856 -1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.562 15.415 -0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.175 16.318 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.032 14.677 1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.568 15.632 1.547 1.00 0.00 H new ATOM 434 N GLU A 32 -3.653 16.286 -0.737 1.00 0.00 N ATOM 435 CA GLU A 32 -2.271 16.270 -0.272 1.00 0.00 C ATOM 436 C GLU A 32 -2.170 16.814 1.150 1.00 0.00 C ATOM 437 O GLU A 32 -2.237 18.024 1.371 1.00 0.00 O ATOM 438 CB GLU A 32 -1.385 17.094 -1.209 1.00 0.00 C ATOM 439 CG GLU A 32 -1.296 16.527 -2.616 1.00 0.00 C ATOM 440 CD GLU A 32 -0.948 17.582 -3.648 1.00 0.00 C ATOM 441 OE1 GLU A 32 -0.050 18.406 -3.375 1.00 0.00 O ATOM 442 OE2 GLU A 32 -1.574 17.585 -4.729 1.00 0.00 O ATOM 0 H GLU A 32 -3.957 17.178 -1.129 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.926 15.236 -0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.772 18.112 -1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.382 17.155 -0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.543 15.739 -2.639 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.248 16.066 -2.879 1.00 0.00 H new ATOM 449 N LEU A 33 -2.009 15.912 2.112 1.00 0.00 N ATOM 450 CA LEU A 33 -1.899 16.300 3.514 1.00 0.00 C ATOM 451 C LEU A 33 -0.485 16.770 3.840 1.00 0.00 C ATOM 452 O LEU A 33 -0.274 17.921 4.220 1.00 0.00 O ATOM 453 CB LEU A 33 -2.280 15.127 4.419 1.00 0.00 C ATOM 454 CG LEU A 33 -3.557 14.376 4.043 1.00 0.00 C ATOM 455 CD1 LEU A 33 -3.800 13.222 5.004 1.00 0.00 C ATOM 456 CD2 LEU A 33 -4.748 15.323 4.030 1.00 0.00 C ATOM 0 H LEU A 33 -1.952 14.907 1.947 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.587 17.127 3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.453 14.416 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.388 15.500 5.437 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.434 13.966 3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.713 12.699 4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.958 12.531 4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.903 13.608 6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.649 14.771 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.874 15.762 5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.575 16.115 3.301 1.00 0.00 H new ATOM 468 N GLY A 34 0.483 15.871 3.685 1.00 0.00 N ATOM 469 CA GLY A 34 1.865 16.214 3.965 1.00 0.00 C ATOM 470 C GLY A 34 2.827 15.604 2.965 1.00 0.00 C ATOM 471 O GLY A 34 2.751 14.412 2.668 1.00 0.00 O ATOM 0 H GLY A 34 0.335 14.912 3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.976 17.298 3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.124 15.875 4.968 1.00 0.00 H new ATOM 475 N SER A 35 3.735 16.423 2.444 1.00 0.00 N ATOM 476 CA SER A 35 4.713 15.958 1.467 1.00 0.00 C ATOM 477 C SER A 35 5.947 15.390 2.162 1.00 0.00 C ATOM 478 O SER A 35 6.470 15.982 3.104 1.00 0.00 O ATOM 479 CB SER A 35 5.119 17.102 0.536 1.00 0.00 C ATOM 480 OG SER A 35 5.541 18.235 1.275 1.00 0.00 O ATOM 0 H SER A 35 3.814 17.412 2.682 1.00 0.00 H new ATOM 0 HA SER A 35 4.252 15.165 0.877 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.924 16.772 -0.121 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.277 17.372 -0.102 1.00 0.00 H new ATOM 0 HG SER A 35 5.797 18.952 0.657 1.00 0.00 H new ATOM 486 N GLY A 36 6.406 14.235 1.688 1.00 0.00 N ATOM 487 CA GLY A 36 7.574 13.605 2.274 1.00 0.00 C ATOM 488 C GLY A 36 8.216 12.595 1.344 1.00 0.00 C ATOM 489 O GLY A 36 7.635 12.221 0.325 1.00 0.00 O ATOM 0 H GLY A 36 5.989 13.725 0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.305 14.371 2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.289 13.110 3.202 1.00 0.00 H new ATOM 493 N VAL A 37 9.420 12.152 1.694 1.00 0.00 N ATOM 494 CA VAL A 37 10.142 11.179 0.883 1.00 0.00 C ATOM 495 C VAL A 37 10.336 9.869 1.639 1.00 0.00 C ATOM 496 O VAL A 37 10.933 9.845 2.715 1.00 0.00 O ATOM 497 CB VAL A 37 11.518 11.719 0.451 1.00 0.00 C ATOM 498 CG1 VAL A 37 12.245 10.700 -0.412 1.00 0.00 C ATOM 499 CG2 VAL A 37 11.363 13.041 -0.286 1.00 0.00 C ATOM 0 H VAL A 37 9.915 12.452 2.534 1.00 0.00 H new ATOM 0 HA VAL A 37 9.537 10.996 -0.005 1.00 0.00 H new ATOM 0 HB VAL A 37 12.117 11.895 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.215 11.100 -0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.389 9.780 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.653 10.489 -1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.345 13.409 -0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.746 12.893 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.887 13.770 0.370 1.00 0.00 H new ATOM 509 N MET A 38 9.830 8.782 1.068 1.00 0.00 N ATOM 510 CA MET A 38 9.950 7.467 1.688 1.00 0.00 C ATOM 511 C MET A 38 11.271 6.805 1.307 1.00 0.00 C ATOM 512 O MET A 38 11.612 6.714 0.129 1.00 0.00 O ATOM 513 CB MET A 38 8.780 6.574 1.271 1.00 0.00 C ATOM 514 CG MET A 38 8.699 5.273 2.053 1.00 0.00 C ATOM 515 SD MET A 38 7.741 5.434 3.571 1.00 0.00 S ATOM 516 CE MET A 38 6.135 5.874 2.913 1.00 0.00 C ATOM 0 H MET A 38 9.333 8.785 0.177 1.00 0.00 H new ATOM 0 HA MET A 38 9.929 7.600 2.770 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.849 7.125 1.401 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.869 6.345 0.209 1.00 0.00 H new ATOM 0 HG2 MET A 38 8.250 4.503 1.425 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.707 4.937 2.298 1.00 0.00 H new ATOM 0 HE1 MET A 38 5.417 5.956 3.729 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.204 6.830 2.393 1.00 0.00 H new ATOM 0 HE3 MET A 38 5.804 5.105 2.215 1.00 0.00 H new ATOM 526 N GLU A 39 12.009 6.346 2.313 1.00 0.00 N ATOM 527 CA GLU A 39 13.293 5.694 2.082 1.00 0.00 C ATOM 528 C GLU A 39 13.236 4.224 2.486 1.00 0.00 C ATOM 529 O GLU A 39 12.787 3.886 3.582 1.00 0.00 O ATOM 530 CB GLU A 39 14.399 6.407 2.862 1.00 0.00 C ATOM 531 CG GLU A 39 15.798 5.929 2.509 1.00 0.00 C ATOM 532 CD GLU A 39 16.882 6.739 3.193 1.00 0.00 C ATOM 533 OE1 GLU A 39 16.715 7.065 4.387 1.00 0.00 O ATOM 534 OE2 GLU A 39 17.897 7.047 2.534 1.00 0.00 O ATOM 0 H GLU A 39 11.740 6.413 3.295 1.00 0.00 H new ATOM 0 HA GLU A 39 13.515 5.752 1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.332 7.479 2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.232 6.260 3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.901 4.881 2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.935 5.985 1.429 1.00 0.00 H new ATOM 541 N LEU A 40 13.695 3.353 1.593 1.00 0.00 N ATOM 542 CA LEU A 40 13.697 1.918 1.855 1.00 0.00 C ATOM 543 C LEU A 40 15.079 1.447 2.295 1.00 0.00 C ATOM 544 O LEU A 40 15.900 1.040 1.472 1.00 0.00 O ATOM 545 CB LEU A 40 13.258 1.152 0.606 1.00 0.00 C ATOM 546 CG LEU A 40 11.749 1.029 0.390 1.00 0.00 C ATOM 547 CD1 LEU A 40 11.159 2.367 -0.028 1.00 0.00 C ATOM 548 CD2 LEU A 40 11.445 -0.038 -0.651 1.00 0.00 C ATOM 0 H LEU A 40 14.070 3.616 0.682 1.00 0.00 H new ATOM 0 HA LEU A 40 12.992 1.719 2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.691 1.641 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.681 0.149 0.652 1.00 0.00 H new ATOM 0 HG LEU A 40 11.289 0.731 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.085 2.260 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.345 3.106 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.624 2.695 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.367 -0.112 -0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.917 0.231 -1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.833 -0.998 -0.312 1.00 0.00 H new ATOM 560 N THR A 41 15.330 1.503 3.599 1.00 0.00 N ATOM 561 CA THR A 41 16.612 1.081 4.150 1.00 0.00 C ATOM 562 C THR A 41 16.479 -0.235 4.908 1.00 0.00 C ATOM 563 O THR A 41 15.546 -0.420 5.688 1.00 0.00 O ATOM 564 CB THR A 41 17.196 2.148 5.095 1.00 0.00 C ATOM 565 OG1 THR A 41 16.191 2.593 6.012 1.00 0.00 O ATOM 566 CG2 THR A 41 17.732 3.334 4.307 1.00 0.00 C ATOM 0 H THR A 41 14.662 1.837 4.294 1.00 0.00 H new ATOM 0 HA THR A 41 17.288 0.944 3.306 1.00 0.00 H new ATOM 0 HB THR A 41 18.020 1.699 5.650 1.00 0.00 H new ATOM 0 HG1 THR A 41 15.418 1.993 5.966 1.00 0.00 H new ATOM 0 HG21 THR A 41 18.139 4.074 4.996 1.00 0.00 H new ATOM 0 HG22 THR A 41 18.518 2.997 3.631 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.924 3.782 3.729 1.00 0.00 H new ATOM 574 N GLN A 42 17.418 -1.145 4.673 1.00 0.00 N ATOM 575 CA GLN A 42 17.405 -2.445 5.334 1.00 0.00 C ATOM 576 C GLN A 42 16.898 -2.320 6.768 1.00 0.00 C ATOM 577 O GLN A 42 16.291 -3.247 7.304 1.00 0.00 O ATOM 578 CB GLN A 42 18.806 -3.059 5.327 1.00 0.00 C ATOM 579 CG GLN A 42 19.298 -3.435 3.939 1.00 0.00 C ATOM 580 CD GLN A 42 19.973 -2.279 3.227 1.00 0.00 C ATOM 581 OE1 GLN A 42 20.895 -1.660 3.758 1.00 0.00 O ATOM 582 NE2 GLN A 42 19.516 -1.982 2.016 1.00 0.00 N ATOM 0 H GLN A 42 18.198 -1.007 4.030 1.00 0.00 H new ATOM 0 HA GLN A 42 16.728 -3.098 4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.506 -2.352 5.772 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.807 -3.948 5.957 1.00 0.00 H new ATOM 0 HG2 GLN A 42 19.998 -4.267 4.019 1.00 0.00 H new ATOM 0 HG3 GLN A 42 18.456 -3.783 3.341 1.00 0.00 H new ATOM 0 HE21 GLN A 42 18.750 -2.522 1.614 1.00 0.00 H new ATOM 0 HE22 GLN A 42 19.931 -1.214 1.488 1.00 0.00 H new ATOM 591 N SER A 43 17.153 -1.170 7.382 1.00 0.00 N ATOM 592 CA SER A 43 16.727 -0.926 8.755 1.00 0.00 C ATOM 593 C SER A 43 15.205 -0.858 8.848 1.00 0.00 C ATOM 594 O SER A 43 14.573 -1.708 9.473 1.00 0.00 O ATOM 595 CB SER A 43 17.339 0.375 9.278 1.00 0.00 C ATOM 596 OG SER A 43 18.708 0.201 9.601 1.00 0.00 O ATOM 0 H SER A 43 17.652 -0.392 6.951 1.00 0.00 H new ATOM 0 HA SER A 43 17.075 -1.756 9.370 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.236 1.157 8.526 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.793 0.708 10.161 1.00 0.00 H new ATOM 0 HG SER A 43 19.076 1.047 9.931 1.00 0.00 H new ATOM 602 N GLU A 44 14.625 0.161 8.220 1.00 0.00 N ATOM 603 CA GLU A 44 13.178 0.340 8.232 1.00 0.00 C ATOM 604 C GLU A 44 12.763 1.473 7.298 1.00 0.00 C ATOM 605 O GLU A 44 13.599 2.074 6.622 1.00 0.00 O ATOM 606 CB GLU A 44 12.690 0.632 9.653 1.00 0.00 C ATOM 607 CG GLU A 44 13.293 1.888 10.258 1.00 0.00 C ATOM 608 CD GLU A 44 14.683 1.656 10.819 1.00 0.00 C ATOM 609 OE1 GLU A 44 14.919 0.570 11.388 1.00 0.00 O ATOM 610 OE2 GLU A 44 15.534 2.561 10.690 1.00 0.00 O ATOM 0 H GLU A 44 15.134 0.874 7.698 1.00 0.00 H new ATOM 0 HA GLU A 44 12.720 -0.585 7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.604 0.729 9.642 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.928 -0.219 10.292 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.338 2.668 9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.641 2.254 11.052 1.00 0.00 H new ATOM 617 N LEU A 45 11.466 1.759 7.264 1.00 0.00 N ATOM 618 CA LEU A 45 10.938 2.819 6.413 1.00 0.00 C ATOM 619 C LEU A 45 10.946 4.158 7.142 1.00 0.00 C ATOM 620 O LEU A 45 10.255 4.335 8.146 1.00 0.00 O ATOM 621 CB LEU A 45 9.516 2.478 5.964 1.00 0.00 C ATOM 622 CG LEU A 45 9.394 1.694 4.657 1.00 0.00 C ATOM 623 CD1 LEU A 45 7.979 1.166 4.481 1.00 0.00 C ATOM 624 CD2 LEU A 45 9.792 2.564 3.474 1.00 0.00 C ATOM 0 H LEU A 45 10.761 1.271 7.816 1.00 0.00 H new ATOM 0 HA LEU A 45 11.580 2.901 5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.035 1.903 6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.957 3.408 5.860 1.00 0.00 H new ATOM 0 HG LEU A 45 10.074 0.843 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.912 0.611 3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.731 0.507 5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.279 2.001 4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.699 1.990 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.138 3.435 3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.824 2.892 3.595 1.00 0.00 H new ATOM 636 N VAL A 46 11.731 5.101 6.630 1.00 0.00 N ATOM 637 CA VAL A 46 11.827 6.426 7.230 1.00 0.00 C ATOM 638 C VAL A 46 11.358 7.504 6.260 1.00 0.00 C ATOM 639 O VAL A 46 11.679 7.467 5.071 1.00 0.00 O ATOM 640 CB VAL A 46 13.269 6.739 7.672 1.00 0.00 C ATOM 641 CG1 VAL A 46 13.358 8.145 8.245 1.00 0.00 C ATOM 642 CG2 VAL A 46 13.752 5.710 8.683 1.00 0.00 C ATOM 0 H VAL A 46 12.310 4.971 5.800 1.00 0.00 H new ATOM 0 HA VAL A 46 11.179 6.424 8.107 1.00 0.00 H new ATOM 0 HB VAL A 46 13.918 6.687 6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.384 8.349 8.552 1.00 0.00 H new ATOM 0 HG12 VAL A 46 13.056 8.867 7.486 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.698 8.229 9.108 1.00 0.00 H new ATOM 0 HG21 VAL A 46 14.772 5.947 8.984 1.00 0.00 H new ATOM 0 HG22 VAL A 46 13.102 5.727 9.558 1.00 0.00 H new ATOM 0 HG23 VAL A 46 13.728 4.718 8.232 1.00 0.00 H new ATOM 652 N LEU A 47 10.598 8.465 6.774 1.00 0.00 N ATOM 653 CA LEU A 47 10.085 9.556 5.952 1.00 0.00 C ATOM 654 C LEU A 47 10.915 10.820 6.146 1.00 0.00 C ATOM 655 O LEU A 47 11.431 11.077 7.234 1.00 0.00 O ATOM 656 CB LEU A 47 8.621 9.836 6.298 1.00 0.00 C ATOM 657 CG LEU A 47 7.593 8.886 5.683 1.00 0.00 C ATOM 658 CD1 LEU A 47 6.204 9.174 6.233 1.00 0.00 C ATOM 659 CD2 LEU A 47 7.602 9.000 4.165 1.00 0.00 C ATOM 0 H LEU A 47 10.323 8.511 7.755 1.00 0.00 H new ATOM 0 HA LEU A 47 10.154 9.255 4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.512 9.805 7.382 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.382 10.852 5.983 1.00 0.00 H new ATOM 0 HG LEU A 47 7.864 7.865 5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.485 8.488 5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.206 9.040 7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.924 10.200 5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.864 8.317 3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.357 10.022 3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.591 8.743 3.787 1.00 0.00 H new ATOM 671 N HIS A 48 11.040 11.609 5.083 1.00 0.00 N ATOM 672 CA HIS A 48 11.806 12.849 5.136 1.00 0.00 C ATOM 673 C HIS A 48 10.922 14.048 4.808 1.00 0.00 C ATOM 674 O HIS A 48 10.396 14.160 3.700 1.00 0.00 O ATOM 675 CB HIS A 48 12.984 12.788 4.164 1.00 0.00 C ATOM 676 CG HIS A 48 14.019 11.772 4.539 1.00 0.00 C ATOM 677 ND1 HIS A 48 14.853 11.914 5.627 1.00 0.00 N ATOM 678 CD2 HIS A 48 14.350 10.592 3.964 1.00 0.00 C ATOM 679 CE1 HIS A 48 15.654 10.866 5.705 1.00 0.00 C ATOM 680 NE2 HIS A 48 15.369 10.049 4.707 1.00 0.00 N ATOM 0 H HIS A 48 10.620 11.411 4.175 1.00 0.00 H new ATOM 0 HA HIS A 48 12.188 12.968 6.150 1.00 0.00 H new ATOM 0 HB2 HIS A 48 12.609 12.561 3.166 1.00 0.00 H new ATOM 0 HB3 HIS A 48 13.453 13.771 4.113 1.00 0.00 H new ATOM 0 HD2 HIS A 48 13.897 10.158 3.085 1.00 0.00 H new ATOM 0 HE1 HIS A 48 16.413 10.705 6.457 1.00 0.00 H new ATOM 0 HE2 HIS A 48 15.831 9.159 4.519 1.00 0.00 H new ATOM 689 N LEU A 49 10.762 14.942 5.778 1.00 0.00 N ATOM 690 CA LEU A 49 9.941 16.133 5.593 1.00 0.00 C ATOM 691 C LEU A 49 10.787 17.399 5.693 1.00 0.00 C ATOM 692 O LEU A 49 12.011 17.332 5.812 1.00 0.00 O ATOM 693 CB LEU A 49 8.820 16.171 6.634 1.00 0.00 C ATOM 694 CG LEU A 49 7.626 15.254 6.367 1.00 0.00 C ATOM 695 CD1 LEU A 49 7.982 13.809 6.680 1.00 0.00 C ATOM 696 CD2 LEU A 49 6.421 15.697 7.184 1.00 0.00 C ATOM 0 H LEU A 49 11.190 14.864 6.701 1.00 0.00 H new ATOM 0 HA LEU A 49 9.502 16.090 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 49 9.243 15.910 7.604 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.456 17.196 6.710 1.00 0.00 H new ATOM 0 HG LEU A 49 7.369 15.322 5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.120 13.171 6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.816 13.495 6.052 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.266 13.723 7.729 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.580 15.033 6.982 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.667 15.658 8.245 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.152 16.717 6.911 1.00 0.00 H new ATOM 789 N ALA A 54 10.435 13.100 11.804 1.00 0.00 N ATOM 790 CA ALA A 54 10.669 11.936 10.959 1.00 0.00 C ATOM 791 C ALA A 54 10.004 10.693 11.540 1.00 0.00 C ATOM 792 O ALA A 54 10.337 10.255 12.641 1.00 0.00 O ATOM 793 CB ALA A 54 12.162 11.704 10.782 1.00 0.00 C ATOM 0 HA ALA A 54 10.224 12.131 9.983 1.00 0.00 H new ATOM 0 HB1 ALA A 54 12.322 10.831 10.149 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.613 12.579 10.315 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.622 11.535 11.756 1.00 0.00 H new ATOM 799 N VAL A 55 9.060 10.129 10.792 1.00 0.00 N ATOM 800 CA VAL A 55 8.348 8.935 11.233 1.00 0.00 C ATOM 801 C VAL A 55 9.014 7.671 10.703 1.00 0.00 C ATOM 802 O VAL A 55 9.511 7.644 9.577 1.00 0.00 O ATOM 803 CB VAL A 55 6.878 8.958 10.776 1.00 0.00 C ATOM 804 CG1 VAL A 55 6.081 7.874 11.486 1.00 0.00 C ATOM 805 CG2 VAL A 55 6.265 10.329 11.022 1.00 0.00 C ATOM 0 H VAL A 55 8.771 10.480 9.879 1.00 0.00 H new ATOM 0 HA VAL A 55 8.382 8.930 12.322 1.00 0.00 H new ATOM 0 HB VAL A 55 6.845 8.757 9.705 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.044 7.906 11.150 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.508 6.898 11.255 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.119 8.041 12.563 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.226 10.327 10.693 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.308 10.561 12.086 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.821 11.082 10.463 1.00 0.00 H new ATOM 815 N ARG A 56 9.020 6.624 11.521 1.00 0.00 N ATOM 816 CA ARG A 56 9.625 5.355 11.135 1.00 0.00 C ATOM 817 C ARG A 56 8.638 4.205 11.312 1.00 0.00 C ATOM 818 O ARG A 56 7.773 4.246 12.186 1.00 0.00 O ATOM 819 CB ARG A 56 10.884 5.093 11.963 1.00 0.00 C ATOM 820 CG ARG A 56 11.921 6.200 11.863 1.00 0.00 C ATOM 821 CD ARG A 56 12.979 6.072 12.948 1.00 0.00 C ATOM 822 NE ARG A 56 14.256 6.650 12.537 1.00 0.00 N ATOM 823 CZ ARG A 56 15.271 6.853 13.369 1.00 0.00 C ATOM 824 NH1 ARG A 56 15.160 6.527 14.649 1.00 0.00 N ATOM 825 NH2 ARG A 56 16.402 7.384 12.920 1.00 0.00 N ATOM 0 H ARG A 56 8.612 6.629 12.456 1.00 0.00 H new ATOM 0 HA ARG A 56 9.898 5.417 10.082 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.601 4.965 13.008 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.334 4.155 11.638 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.397 6.166 10.883 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.429 7.169 11.945 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.631 6.568 13.854 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.120 5.020 13.195 1.00 0.00 H new ATOM 0 HE ARG A 56 14.375 6.912 11.558 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.293 6.119 14.998 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.942 6.684 15.285 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.492 7.636 11.936 1.00 0.00 H new ATOM 0 HH22 ARG A 56 17.181 7.540 13.559 1.00 0.00 H new ATOM 839 N TRP A 57 8.774 3.182 10.477 1.00 0.00 N ATOM 840 CA TRP A 57 7.894 2.021 10.541 1.00 0.00 C ATOM 841 C TRP A 57 8.682 0.728 10.360 1.00 0.00 C ATOM 842 O TRP A 57 9.219 0.446 9.288 1.00 0.00 O ATOM 843 CB TRP A 57 6.804 2.121 9.472 1.00 0.00 C ATOM 844 CG TRP A 57 5.747 3.134 9.795 1.00 0.00 C ATOM 845 CD1 TRP A 57 4.696 2.976 10.653 1.00 0.00 C ATOM 846 CD2 TRP A 57 5.638 4.459 9.264 1.00 0.00 C ATOM 847 NE1 TRP A 57 3.940 4.123 10.686 1.00 0.00 N ATOM 848 CE2 TRP A 57 4.498 5.048 9.844 1.00 0.00 C ATOM 849 CE3 TRP A 57 6.395 5.206 8.357 1.00 0.00 C ATOM 850 CZ2 TRP A 57 4.097 6.347 9.544 1.00 0.00 C ATOM 851 CZ3 TRP A 57 5.996 6.495 8.060 1.00 0.00 C ATOM 852 CH2 TRP A 57 4.856 7.056 8.652 1.00 0.00 C ATOM 0 H TRP A 57 9.485 3.133 9.747 1.00 0.00 H new ATOM 0 HA TRP A 57 7.428 2.005 11.526 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.264 2.378 8.517 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.336 1.145 9.348 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.490 2.081 11.222 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.099 4.263 11.247 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.276 4.783 7.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.218 6.780 9.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 6.573 7.081 7.359 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.571 8.067 8.400 1.00 0.00 H new ATOM 863 N PRO A 58 8.756 -0.077 11.430 1.00 0.00 N ATOM 864 CA PRO A 58 9.477 -1.353 11.413 1.00 0.00 C ATOM 865 C PRO A 58 8.781 -2.400 10.550 1.00 0.00 C ATOM 866 O PRO A 58 7.603 -2.698 10.748 1.00 0.00 O ATOM 867 CB PRO A 58 9.473 -1.782 12.882 1.00 0.00 C ATOM 868 CG PRO A 58 8.281 -1.110 13.470 1.00 0.00 C ATOM 869 CD PRO A 58 8.140 0.197 12.739 1.00 0.00 C ATOM 0 HA PRO A 58 10.475 -1.252 10.987 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.404 -2.866 12.978 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.389 -1.475 13.386 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.388 -1.723 13.349 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.413 -0.947 14.540 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.095 0.490 12.638 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.649 1.007 13.261 1.00 0.00 H new ATOM 877 N TYR A 59 9.516 -2.956 9.594 1.00 0.00 N ATOM 878 CA TYR A 59 8.969 -3.969 8.699 1.00 0.00 C ATOM 879 C TYR A 59 8.205 -5.032 9.483 1.00 0.00 C ATOM 880 O TYR A 59 7.349 -5.729 8.936 1.00 0.00 O ATOM 881 CB TYR A 59 10.089 -4.623 7.889 1.00 0.00 C ATOM 882 CG TYR A 59 10.768 -3.679 6.922 1.00 0.00 C ATOM 883 CD1 TYR A 59 10.024 -2.867 6.076 1.00 0.00 C ATOM 884 CD2 TYR A 59 12.154 -3.599 6.857 1.00 0.00 C ATOM 885 CE1 TYR A 59 10.640 -2.004 5.190 1.00 0.00 C ATOM 886 CE2 TYR A 59 12.779 -2.738 5.976 1.00 0.00 C ATOM 887 CZ TYR A 59 12.018 -1.943 5.144 1.00 0.00 C ATOM 888 OH TYR A 59 12.635 -1.083 4.265 1.00 0.00 O ATOM 0 H TYR A 59 10.493 -2.722 9.419 1.00 0.00 H new ATOM 0 HA TYR A 59 8.276 -3.478 8.016 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.835 -5.025 8.575 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.679 -5.466 7.333 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.945 -2.911 6.111 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.753 -4.221 7.506 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.047 -1.381 4.537 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.857 -2.687 5.939 1.00 0.00 H new ATOM 0 HH TYR A 59 13.508 -0.820 4.623 1.00 0.00 H new ATOM 898 N LEU A 60 8.520 -5.150 10.768 1.00 0.00 N ATOM 899 CA LEU A 60 7.864 -6.128 11.630 1.00 0.00 C ATOM 900 C LEU A 60 6.381 -5.807 11.787 1.00 0.00 C ATOM 901 O LEU A 60 5.528 -6.682 11.639 1.00 0.00 O ATOM 902 CB LEU A 60 8.539 -6.160 13.003 1.00 0.00 C ATOM 903 CG LEU A 60 9.655 -7.191 13.178 1.00 0.00 C ATOM 904 CD1 LEU A 60 10.718 -6.669 14.132 1.00 0.00 C ATOM 905 CD2 LEU A 60 9.088 -8.511 13.679 1.00 0.00 C ATOM 0 H LEU A 60 9.225 -4.581 11.236 1.00 0.00 H new ATOM 0 HA LEU A 60 7.957 -7.108 11.163 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.950 -5.171 13.207 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.775 -6.349 13.757 1.00 0.00 H new ATOM 0 HG LEU A 60 10.120 -7.364 12.207 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.504 -7.416 14.245 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.146 -5.749 13.732 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.267 -6.467 15.104 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.896 -9.233 13.798 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.597 -8.355 14.640 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.364 -8.893 12.959 1.00 0.00 H new ATOM 917 N CYS A 61 6.082 -4.547 12.084 1.00 0.00 N ATOM 918 CA CYS A 61 4.702 -4.110 12.259 1.00 0.00 C ATOM 919 C CYS A 61 3.943 -4.163 10.937 1.00 0.00 C ATOM 920 O CYS A 61 2.744 -4.444 10.908 1.00 0.00 O ATOM 921 CB CYS A 61 4.663 -2.691 12.828 1.00 0.00 C ATOM 922 SG CYS A 61 4.771 -1.391 11.576 1.00 0.00 S ATOM 0 H CYS A 61 6.777 -3.811 12.209 1.00 0.00 H new ATOM 0 HA CYS A 61 4.218 -4.788 12.962 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.739 -2.562 13.391 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.486 -2.571 13.533 1.00 0.00 H new ATOM 0 HG CYS A 61 5.880 -1.521 10.910 1.00 0.00 H new ATOM 928 N LEU A 62 4.648 -3.889 9.845 1.00 0.00 N ATOM 929 CA LEU A 62 4.041 -3.903 8.519 1.00 0.00 C ATOM 930 C LEU A 62 3.412 -5.261 8.222 1.00 0.00 C ATOM 931 O LEU A 62 4.068 -6.156 7.689 1.00 0.00 O ATOM 932 CB LEU A 62 5.087 -3.569 7.454 1.00 0.00 C ATOM 933 CG LEU A 62 5.299 -2.083 7.165 1.00 0.00 C ATOM 934 CD1 LEU A 62 6.182 -1.898 5.940 1.00 0.00 C ATOM 935 CD2 LEU A 62 3.963 -1.381 6.972 1.00 0.00 C ATOM 0 H LEU A 62 5.641 -3.654 9.852 1.00 0.00 H new ATOM 0 HA LEU A 62 3.256 -3.147 8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.040 -3.998 7.762 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.801 -4.062 6.525 1.00 0.00 H new ATOM 0 HG LEU A 62 5.802 -1.634 8.022 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.322 -0.834 5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.151 -2.366 6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.707 -2.362 5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.134 -0.324 6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.433 -1.832 6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.364 -1.483 7.877 1.00 0.00 H new ATOM 947 N ARG A 63 2.138 -5.405 8.570 1.00 0.00 N ATOM 948 CA ARG A 63 1.420 -6.653 8.340 1.00 0.00 C ATOM 949 C ARG A 63 0.944 -6.748 6.893 1.00 0.00 C ATOM 950 O ARG A 63 1.225 -7.726 6.200 1.00 0.00 O ATOM 951 CB ARG A 63 0.225 -6.762 9.289 1.00 0.00 C ATOM 952 CG ARG A 63 0.613 -7.095 10.720 1.00 0.00 C ATOM 953 CD ARG A 63 -0.596 -7.079 11.643 1.00 0.00 C ATOM 954 NE ARG A 63 -1.326 -8.344 11.611 1.00 0.00 N ATOM 955 CZ ARG A 63 -2.602 -8.465 11.959 1.00 0.00 C ATOM 956 NH1 ARG A 63 -3.286 -7.403 12.363 1.00 0.00 N ATOM 957 NH2 ARG A 63 -3.197 -9.649 11.903 1.00 0.00 N ATOM 0 H ARG A 63 1.582 -4.673 9.012 1.00 0.00 H new ATOM 0 HA ARG A 63 2.106 -7.478 8.534 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.323 -5.820 9.280 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.454 -7.529 8.918 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.083 -8.078 10.751 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.352 -6.377 11.074 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.271 -6.874 12.663 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.263 -6.268 11.352 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.828 -9.180 11.305 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.832 -6.491 12.407 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.266 -7.499 12.630 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.675 -10.468 11.592 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.177 -9.740 12.171 1.00 0.00 H new ATOM 971 N ARG A 64 0.222 -5.727 6.445 1.00 0.00 N ATOM 972 CA ARG A 64 -0.294 -5.696 5.082 1.00 0.00 C ATOM 973 C ARG A 64 0.237 -4.480 4.327 1.00 0.00 C ATOM 974 O ARG A 64 0.128 -3.348 4.798 1.00 0.00 O ATOM 975 CB ARG A 64 -1.823 -5.675 5.093 1.00 0.00 C ATOM 976 CG ARG A 64 -2.442 -5.595 3.707 1.00 0.00 C ATOM 977 CD ARG A 64 -3.952 -5.429 3.779 1.00 0.00 C ATOM 978 NE ARG A 64 -4.335 -4.204 4.476 1.00 0.00 N ATOM 979 CZ ARG A 64 -5.581 -3.924 4.840 1.00 0.00 C ATOM 980 NH1 ARG A 64 -6.560 -4.778 4.574 1.00 0.00 N ATOM 981 NH2 ARG A 64 -5.851 -2.788 5.470 1.00 0.00 N ATOM 0 H ARG A 64 -0.019 -4.910 7.006 1.00 0.00 H new ATOM 0 HA ARG A 64 0.046 -6.597 4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.186 -6.573 5.592 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.162 -4.823 5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.008 -4.757 3.162 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.201 -6.498 3.147 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.364 -5.416 2.770 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.387 -6.288 4.290 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.605 -3.526 4.695 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.357 -5.652 4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.516 -4.561 4.855 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.101 -2.128 5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.809 -2.575 5.749 1.00 0.00 H new ATOM 995 N TYR A 65 0.811 -4.723 3.154 1.00 0.00 N ATOM 996 CA TYR A 65 1.361 -3.649 2.335 1.00 0.00 C ATOM 997 C TYR A 65 1.046 -3.873 0.859 1.00 0.00 C ATOM 998 O TYR A 65 1.479 -4.858 0.263 1.00 0.00 O ATOM 999 CB TYR A 65 2.874 -3.551 2.536 1.00 0.00 C ATOM 1000 CG TYR A 65 3.603 -4.854 2.296 1.00 0.00 C ATOM 1001 CD1 TYR A 65 3.587 -5.866 3.247 1.00 0.00 C ATOM 1002 CD2 TYR A 65 4.308 -5.072 1.119 1.00 0.00 C ATOM 1003 CE1 TYR A 65 4.251 -7.058 3.033 1.00 0.00 C ATOM 1004 CE2 TYR A 65 4.975 -6.261 0.895 1.00 0.00 C ATOM 1005 CZ TYR A 65 4.944 -7.251 1.855 1.00 0.00 C ATOM 1006 OH TYR A 65 5.607 -8.436 1.637 1.00 0.00 O ATOM 0 H TYR A 65 0.908 -5.654 2.749 1.00 0.00 H new ATOM 0 HA TYR A 65 0.898 -2.713 2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.273 -2.792 1.863 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.076 -3.213 3.553 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.046 -5.718 4.170 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.335 -4.298 0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.228 -7.835 3.783 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.517 -6.414 -0.026 1.00 0.00 H new ATOM 0 HH TYR A 65 5.012 -9.064 1.177 1.00 0.00 H new ATOM 1016 N GLY A 66 0.287 -2.950 0.276 1.00 0.00 N ATOM 1017 CA GLY A 66 -0.074 -3.063 -1.125 1.00 0.00 C ATOM 1018 C GLY A 66 0.575 -1.992 -1.979 1.00 0.00 C ATOM 1019 O GLY A 66 1.521 -1.333 -1.548 1.00 0.00 O ATOM 0 H GLY A 66 -0.084 -2.126 0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.220 -4.045 -1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.157 -2.996 -1.224 1.00 0.00 H new ATOM 1023 N TYR A 67 0.067 -1.819 -3.194 1.00 0.00 N ATOM 1024 CA TYR A 67 0.605 -0.823 -4.113 1.00 0.00 C ATOM 1025 C TYR A 67 -0.351 -0.582 -5.277 1.00 0.00 C ATOM 1026 O TYR A 67 -1.076 -1.484 -5.696 1.00 0.00 O ATOM 1027 CB TYR A 67 1.969 -1.271 -4.642 1.00 0.00 C ATOM 1028 CG TYR A 67 1.880 -2.223 -5.813 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.789 -3.595 -5.614 1.00 0.00 C ATOM 1030 CD2 TYR A 67 1.887 -1.750 -7.120 1.00 0.00 C ATOM 1031 CE1 TYR A 67 1.709 -4.468 -6.681 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.806 -2.616 -8.193 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.718 -3.974 -7.969 1.00 0.00 C ATOM 1034 OH TYR A 67 1.637 -4.841 -9.034 1.00 0.00 O ATOM 0 H TYR A 67 -0.717 -2.356 -3.566 1.00 0.00 H new ATOM 0 HA TYR A 67 0.724 0.112 -3.566 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.540 -0.392 -4.941 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.523 -1.751 -3.835 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.781 -3.986 -4.607 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.957 -0.687 -7.300 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.640 -5.532 -6.508 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.812 -2.232 -9.202 1.00 0.00 H new ATOM 0 HH TYR A 67 1.655 -4.333 -9.872 1.00 0.00 H new ATOM 1044 N ASP A 68 -0.345 0.641 -5.796 1.00 0.00 N ATOM 1045 CA ASP A 68 -1.209 1.002 -6.913 1.00 0.00 C ATOM 1046 C ASP A 68 -0.485 1.932 -7.882 1.00 0.00 C ATOM 1047 O ASP A 68 0.596 2.437 -7.582 1.00 0.00 O ATOM 1048 CB ASP A 68 -2.486 1.672 -6.402 1.00 0.00 C ATOM 1049 CG ASP A 68 -3.621 1.596 -7.405 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -3.642 0.638 -8.206 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -4.488 2.494 -7.388 1.00 0.00 O ATOM 0 H ASP A 68 0.249 1.399 -5.461 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.475 0.088 -7.445 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.795 1.196 -5.471 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.278 2.717 -6.172 1.00 0.00 H new ATOM 1056 N SER A 69 -1.089 2.151 -9.046 1.00 0.00 N ATOM 1057 CA SER A 69 -0.499 3.016 -10.062 1.00 0.00 C ATOM 1058 C SER A 69 0.062 4.288 -9.433 1.00 0.00 C ATOM 1059 O SER A 69 1.269 4.523 -9.453 1.00 0.00 O ATOM 1060 CB SER A 69 -1.541 3.374 -11.123 1.00 0.00 C ATOM 1061 OG SER A 69 -1.766 2.287 -12.004 1.00 0.00 O ATOM 0 H SER A 69 -1.986 1.742 -9.309 1.00 0.00 H new ATOM 0 HA SER A 69 0.320 2.474 -10.535 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.477 3.653 -10.639 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.204 4.242 -11.690 1.00 0.00 H new ATOM 0 HG SER A 69 -2.437 2.541 -12.672 1.00 0.00 H new ATOM 1067 N ASN A 70 -0.826 5.106 -8.876 1.00 0.00 N ATOM 1068 CA ASN A 70 -0.421 6.355 -8.241 1.00 0.00 C ATOM 1069 C ASN A 70 -0.927 6.424 -6.804 1.00 0.00 C ATOM 1070 O ASN A 70 -1.321 7.488 -6.324 1.00 0.00 O ATOM 1071 CB ASN A 70 -0.948 7.550 -9.038 1.00 0.00 C ATOM 1072 CG ASN A 70 -0.337 8.862 -8.584 1.00 0.00 C ATOM 1073 OD1 ASN A 70 -1.167 9.893 -8.472 1.00 0.00 O flip ATOM 1074 ND2 ASN A 70 0.866 8.947 -8.338 1.00 0.00 N flip ATOM 0 H ASN A 70 -1.830 4.926 -8.852 1.00 0.00 H new ATOM 0 HA ASN A 70 0.668 6.389 -8.225 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.735 7.400 -10.096 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.032 7.602 -8.935 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.466 8.128 -8.438 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.263 9.836 -8.034 1.00 0.00 H new ATOM 1081 N LEU A 71 -0.914 5.284 -6.122 1.00 0.00 N ATOM 1082 CA LEU A 71 -1.372 5.215 -4.739 1.00 0.00 C ATOM 1083 C LEU A 71 -0.661 4.095 -3.986 1.00 0.00 C ATOM 1084 O LEU A 71 -0.744 2.927 -4.365 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.885 4.996 -4.692 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.589 5.445 -3.411 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -3.036 4.697 -2.207 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -3.441 6.948 -3.221 1.00 0.00 C ATOM 0 H LEU A 71 -0.591 4.395 -6.504 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.133 6.162 -4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.334 5.523 -5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.083 3.934 -4.838 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.650 5.212 -3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.549 5.030 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.193 3.627 -2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.969 4.898 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.948 7.251 -2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.384 7.204 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.885 7.468 -4.070 1.00 0.00 H new ATOM 1100 N PHE A 72 0.038 4.459 -2.915 1.00 0.00 N ATOM 1101 CA PHE A 72 0.763 3.486 -2.107 1.00 0.00 C ATOM 1102 C PHE A 72 0.457 3.674 -0.624 1.00 0.00 C ATOM 1103 O PHE A 72 0.932 4.620 0.003 1.00 0.00 O ATOM 1104 CB PHE A 72 2.268 3.610 -2.349 1.00 0.00 C ATOM 1105 CG PHE A 72 3.099 2.838 -1.365 1.00 0.00 C ATOM 1106 CD1 PHE A 72 2.823 1.506 -1.099 1.00 0.00 C ATOM 1107 CD2 PHE A 72 4.158 3.443 -0.706 1.00 0.00 C ATOM 1108 CE1 PHE A 72 3.586 0.794 -0.194 1.00 0.00 C ATOM 1109 CE2 PHE A 72 4.924 2.735 0.200 1.00 0.00 C ATOM 1110 CZ PHE A 72 4.639 1.409 0.456 1.00 0.00 C ATOM 0 H PHE A 72 0.117 5.422 -2.587 1.00 0.00 H new ATOM 0 HA PHE A 72 0.436 2.489 -2.404 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.496 3.262 -3.357 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.550 4.662 -2.304 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.002 1.019 -1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.387 4.480 -0.903 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.360 -0.243 0.005 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.745 3.219 0.708 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.238 0.853 1.163 1.00 0.00 H new ATOM 1120 N SER A 73 -0.340 2.766 -0.071 1.00 0.00 N ATOM 1121 CA SER A 73 -0.714 2.833 1.337 1.00 0.00 C ATOM 1122 C SER A 73 -0.241 1.590 2.085 1.00 0.00 C ATOM 1123 O SER A 73 0.035 0.555 1.479 1.00 0.00 O ATOM 1124 CB SER A 73 -2.230 2.981 1.478 1.00 0.00 C ATOM 1125 OG SER A 73 -2.609 3.078 2.840 1.00 0.00 O ATOM 0 H SER A 73 -0.739 1.975 -0.576 1.00 0.00 H new ATOM 0 HA SER A 73 -0.229 3.706 1.775 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.563 3.869 0.941 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.726 2.126 1.019 1.00 0.00 H new ATOM 0 HG SER A 73 -3.319 3.747 2.935 1.00 0.00 H new ATOM 1131 N PHE A 74 -0.150 1.701 3.406 1.00 0.00 N ATOM 1132 CA PHE A 74 0.291 0.587 4.238 1.00 0.00 C ATOM 1133 C PHE A 74 -0.322 0.675 5.633 1.00 0.00 C ATOM 1134 O PHE A 74 -0.422 1.757 6.210 1.00 0.00 O ATOM 1135 CB PHE A 74 1.817 0.571 4.339 1.00 0.00 C ATOM 1136 CG PHE A 74 2.381 1.750 5.080 1.00 0.00 C ATOM 1137 CD1 PHE A 74 2.323 1.808 6.463 1.00 0.00 C ATOM 1138 CD2 PHE A 74 2.970 2.799 4.394 1.00 0.00 C ATOM 1139 CE1 PHE A 74 2.841 2.891 7.148 1.00 0.00 C ATOM 1140 CE2 PHE A 74 3.491 3.884 5.073 1.00 0.00 C ATOM 1141 CZ PHE A 74 3.425 3.931 6.452 1.00 0.00 C ATOM 0 H PHE A 74 -0.376 2.551 3.923 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.044 -0.339 3.770 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.131 -0.346 4.838 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.239 0.547 3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.868 0.997 7.012 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.023 2.769 3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.789 2.924 8.226 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.949 4.695 4.526 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.829 4.779 6.985 1.00 0.00 H new ATOM 1151 N GLU A 75 -0.730 -0.472 6.167 1.00 0.00 N ATOM 1152 CA GLU A 75 -1.334 -0.524 7.493 1.00 0.00 C ATOM 1153 C GLU A 75 -0.304 -0.926 8.545 1.00 0.00 C ATOM 1154 O GLU A 75 0.711 -1.548 8.229 1.00 0.00 O ATOM 1155 CB GLU A 75 -2.504 -1.511 7.506 1.00 0.00 C ATOM 1156 CG GLU A 75 -3.339 -1.447 8.774 1.00 0.00 C ATOM 1157 CD GLU A 75 -4.712 -2.068 8.600 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -4.796 -3.169 8.016 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -5.702 -1.453 9.048 1.00 0.00 O ATOM 0 H GLU A 75 -0.653 -1.377 5.702 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.705 0.472 7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.146 -1.312 6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.116 -2.523 7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.812 -1.960 9.578 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.451 -0.407 9.079 1.00 0.00 H new ATOM 1166 N SER A 76 -0.572 -0.565 9.795 1.00 0.00 N ATOM 1167 CA SER A 76 0.333 -0.883 10.894 1.00 0.00 C ATOM 1168 C SER A 76 -0.428 -0.993 12.211 1.00 0.00 C ATOM 1169 O SER A 76 -1.471 -0.365 12.392 1.00 0.00 O ATOM 1170 CB SER A 76 1.424 0.184 11.009 1.00 0.00 C ATOM 1171 OG SER A 76 2.086 0.374 9.771 1.00 0.00 O ATOM 0 H SER A 76 -1.409 -0.052 10.073 1.00 0.00 H new ATOM 0 HA SER A 76 0.797 -1.846 10.682 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.983 1.125 11.337 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.147 -0.111 11.770 1.00 0.00 H new ATOM 0 HG SER A 76 2.777 1.062 9.872 1.00 0.00 H new ATOM 1177 N GLY A 77 0.101 -1.796 13.128 1.00 0.00 N ATOM 1178 CA GLY A 77 -0.541 -1.975 14.417 1.00 0.00 C ATOM 1179 C GLY A 77 -0.467 -0.731 15.280 1.00 0.00 C ATOM 1180 O GLY A 77 -0.430 0.387 14.765 1.00 0.00 O ATOM 0 H GLY A 77 0.963 -2.326 13.002 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.586 -2.246 14.264 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.070 -2.806 14.942 1.00 0.00 H new ATOM 1184 N ARG A 78 -0.447 -0.924 16.594 1.00 0.00 N ATOM 1185 CA ARG A 78 -0.381 0.192 17.530 1.00 0.00 C ATOM 1186 C ARG A 78 1.024 0.334 18.108 1.00 0.00 C ATOM 1187 O ARG A 78 1.470 1.439 18.418 1.00 0.00 O ATOM 1188 CB ARG A 78 -1.392 -0.001 18.661 1.00 0.00 C ATOM 1189 CG ARG A 78 -0.996 -1.082 19.654 1.00 0.00 C ATOM 1190 CD ARG A 78 -0.156 -0.515 20.788 1.00 0.00 C ATOM 1191 NE ARG A 78 -0.278 -1.308 22.008 1.00 0.00 N ATOM 1192 CZ ARG A 78 -0.011 -0.837 23.221 1.00 0.00 C ATOM 1193 NH1 ARG A 78 0.390 0.418 23.374 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -0.145 -1.620 24.283 1.00 0.00 N ATOM 0 H ARG A 78 -0.476 -1.843 17.035 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.626 1.104 16.986 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.514 0.942 19.193 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.362 -0.252 18.231 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.892 -1.549 20.062 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.436 -1.863 19.140 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.890 -0.479 20.482 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.464 0.511 20.990 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.585 -2.277 21.924 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.494 1.023 22.559 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.595 0.778 24.306 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.453 -2.586 24.169 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.060 -1.257 25.214 1.00 0.00 H new ATOM 1208 N ARG A 79 1.716 -0.791 18.250 1.00 0.00 N ATOM 1209 CA ARG A 79 3.069 -0.793 18.793 1.00 0.00 C ATOM 1210 C ARG A 79 3.931 0.264 18.108 1.00 0.00 C ATOM 1211 O ARG A 79 4.897 0.762 18.686 1.00 0.00 O ATOM 1212 CB ARG A 79 3.707 -2.173 18.626 1.00 0.00 C ATOM 1213 CG ARG A 79 3.847 -2.608 17.176 1.00 0.00 C ATOM 1214 CD ARG A 79 4.770 -3.809 17.041 1.00 0.00 C ATOM 1215 NE ARG A 79 4.104 -5.056 17.409 1.00 0.00 N ATOM 1216 CZ ARG A 79 4.501 -6.252 16.990 1.00 0.00 C ATOM 1217 NH1 ARG A 79 5.555 -6.363 16.193 1.00 0.00 N ATOM 1218 NH2 ARG A 79 3.843 -7.341 17.368 1.00 0.00 N ATOM 0 H ARG A 79 1.362 -1.713 17.997 1.00 0.00 H new ATOM 0 HA ARG A 79 3.008 -0.555 19.855 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.693 -2.167 19.091 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.106 -2.909 19.161 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.865 -2.855 16.773 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.236 -1.780 16.583 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.127 -3.878 16.013 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.646 -3.666 17.673 1.00 0.00 H new ATOM 0 HE ARG A 79 3.290 -5.005 18.021 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.063 -5.528 15.900 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.858 -7.283 15.873 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.032 -7.260 17.981 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.149 -8.259 17.046 1.00 0.00 H new ATOM 1232 N CYS A 80 3.575 0.600 16.873 1.00 0.00 N ATOM 1233 CA CYS A 80 4.316 1.597 16.108 1.00 0.00 C ATOM 1234 C CYS A 80 4.154 2.984 16.721 1.00 0.00 C ATOM 1235 O CYS A 80 3.288 3.200 17.569 1.00 0.00 O ATOM 1236 CB CYS A 80 3.842 1.609 14.654 1.00 0.00 C ATOM 1237 SG CYS A 80 2.058 1.829 14.460 1.00 0.00 S ATOM 0 H CYS A 80 2.778 0.197 16.380 1.00 0.00 H new ATOM 0 HA CYS A 80 5.372 1.330 16.136 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.356 2.410 14.122 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.135 0.672 14.180 1.00 0.00 H new ATOM 0 HG CYS A 80 1.449 0.720 14.759 1.00 0.00 H new ATOM 1243 N GLN A 81 4.992 3.919 16.286 1.00 0.00 N ATOM 1244 CA GLN A 81 4.943 5.285 16.794 1.00 0.00 C ATOM 1245 C GLN A 81 3.573 5.908 16.547 1.00 0.00 C ATOM 1246 O GLN A 81 2.818 6.168 17.485 1.00 0.00 O ATOM 1247 CB GLN A 81 6.030 6.136 16.136 1.00 0.00 C ATOM 1248 CG GLN A 81 5.819 7.631 16.310 1.00 0.00 C ATOM 1249 CD GLN A 81 7.123 8.405 16.333 1.00 0.00 C ATOM 1250 OE1 GLN A 81 8.088 7.999 16.981 1.00 0.00 O ATOM 1251 NE2 GLN A 81 7.158 9.527 15.624 1.00 0.00 N ATOM 0 H GLN A 81 5.713 3.756 15.583 1.00 0.00 H new ATOM 0 HA GLN A 81 5.119 5.253 17.869 1.00 0.00 H new ATOM 0 HB2 GLN A 81 6.998 5.863 16.556 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.067 5.904 15.072 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.194 8.003 15.498 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.277 7.812 17.238 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.335 9.826 15.102 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.008 10.090 15.602 1.00 0.00 H new ATOM 1260 N THR A 82 3.257 6.147 15.278 1.00 0.00 N ATOM 1261 CA THR A 82 1.979 6.741 14.907 1.00 0.00 C ATOM 1262 C THR A 82 0.819 6.011 15.574 1.00 0.00 C ATOM 1263 O THR A 82 -0.085 6.635 16.126 1.00 0.00 O ATOM 1264 CB THR A 82 1.773 6.723 13.381 1.00 0.00 C ATOM 1265 OG1 THR A 82 1.553 5.381 12.932 1.00 0.00 O ATOM 1266 CG2 THR A 82 2.979 7.312 12.665 1.00 0.00 C ATOM 0 H THR A 82 3.869 5.938 14.489 1.00 0.00 H new ATOM 0 HA THR A 82 2.000 7.775 15.251 1.00 0.00 H new ATOM 0 HB THR A 82 0.899 7.331 13.147 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.748 5.350 12.374 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.810 7.289 11.588 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.126 8.343 12.987 1.00 0.00 H new ATOM 0 HG23 THR A 82 3.867 6.727 12.906 1.00 0.00 H new ATOM 1274 N GLY A 83 0.852 4.682 15.519 1.00 0.00 N ATOM 1275 CA GLY A 83 -0.203 3.889 16.122 1.00 0.00 C ATOM 1276 C GLY A 83 -1.112 3.252 15.090 1.00 0.00 C ATOM 1277 O GLY A 83 -0.914 3.426 13.888 1.00 0.00 O ATOM 0 H GLY A 83 1.590 4.142 15.068 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.241 3.109 16.741 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.796 4.521 16.783 1.00 0.00 H new ATOM 1281 N GLN A 84 -2.110 2.511 15.559 1.00 0.00 N ATOM 1282 CA GLN A 84 -3.051 1.844 14.667 1.00 0.00 C ATOM 1283 C GLN A 84 -3.577 2.809 13.610 1.00 0.00 C ATOM 1284 O GLN A 84 -3.534 4.025 13.790 1.00 0.00 O ATOM 1285 CB GLN A 84 -4.217 1.259 15.466 1.00 0.00 C ATOM 1286 CG GLN A 84 -3.982 -0.170 15.928 1.00 0.00 C ATOM 1287 CD GLN A 84 -4.468 -1.196 14.923 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -4.566 -0.913 13.728 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -4.775 -2.396 15.402 1.00 0.00 N ATOM 0 H GLN A 84 -2.288 2.357 16.551 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.523 1.035 14.163 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.401 1.888 16.337 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.118 1.290 14.854 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.917 -0.319 16.108 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.491 -0.329 16.879 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.679 -2.587 16.399 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.107 -3.127 14.773 1.00 0.00 H new ATOM 1298 N GLY A 85 -4.073 2.258 12.507 1.00 0.00 N ATOM 1299 CA GLY A 85 -4.600 3.085 11.437 1.00 0.00 C ATOM 1300 C GLY A 85 -3.821 2.928 10.146 1.00 0.00 C ATOM 1301 O GLY A 85 -2.620 2.654 10.167 1.00 0.00 O ATOM 0 H GLY A 85 -4.119 1.254 12.335 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.644 2.825 11.262 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.579 4.130 11.746 1.00 0.00 H new ATOM 1305 N ILE A 86 -4.504 3.100 9.019 1.00 0.00 N ATOM 1306 CA ILE A 86 -3.868 2.976 7.714 1.00 0.00 C ATOM 1307 C ILE A 86 -3.329 4.319 7.234 1.00 0.00 C ATOM 1308 O ILE A 86 -3.919 5.367 7.500 1.00 0.00 O ATOM 1309 CB ILE A 86 -4.847 2.422 6.661 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -5.294 1.010 7.042 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -4.200 2.426 5.284 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -6.466 0.507 6.228 1.00 0.00 C ATOM 0 H ILE A 86 -5.498 3.326 8.984 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.040 2.277 7.832 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.727 3.065 6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.455 0.326 6.917 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.563 0.995 8.098 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.903 2.032 4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.927 3.446 5.013 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.306 1.803 5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.729 -0.500 6.552 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.320 1.169 6.372 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.195 0.489 5.172 1.00 0.00 H new ATOM 1324 N PHE A 87 -2.206 4.281 6.525 1.00 0.00 N ATOM 1325 CA PHE A 87 -1.588 5.496 6.007 1.00 0.00 C ATOM 1326 C PHE A 87 -1.341 5.383 4.506 1.00 0.00 C ATOM 1327 O PHE A 87 -0.593 4.517 4.053 1.00 0.00 O ATOM 1328 CB PHE A 87 -0.270 5.772 6.733 1.00 0.00 C ATOM 1329 CG PHE A 87 -0.426 5.939 8.217 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -0.968 7.100 8.744 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -0.031 4.934 9.086 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -1.114 7.256 10.110 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -0.174 5.085 10.452 1.00 0.00 C ATOM 1334 CZ PHE A 87 -0.716 6.248 10.965 1.00 0.00 C ATOM 0 H PHE A 87 -1.705 3.422 6.296 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.273 6.326 6.183 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.421 4.952 6.539 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.181 6.674 6.320 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.280 7.893 8.080 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.393 4.023 8.691 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.539 8.166 10.508 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.138 4.294 11.118 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.828 6.368 12.032 1.00 0.00 H new ATOM 1344 N ALA A 88 -1.975 6.264 3.739 1.00 0.00 N ATOM 1345 CA ALA A 88 -1.823 6.265 2.290 1.00 0.00 C ATOM 1346 C ALA A 88 -0.824 7.326 1.842 1.00 0.00 C ATOM 1347 O ALA A 88 -0.577 8.300 2.554 1.00 0.00 O ATOM 1348 CB ALA A 88 -3.170 6.489 1.618 1.00 0.00 C ATOM 0 H ALA A 88 -2.599 6.987 4.098 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.437 5.291 1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.041 6.487 0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.856 5.691 1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.579 7.449 1.933 1.00 0.00 H new ATOM 1354 N PHE A 89 -0.251 7.131 0.659 1.00 0.00 N ATOM 1355 CA PHE A 89 0.723 8.071 0.118 1.00 0.00 C ATOM 1356 C PHE A 89 0.731 8.029 -1.407 1.00 0.00 C ATOM 1357 O PHE A 89 0.707 6.956 -2.011 1.00 0.00 O ATOM 1358 CB PHE A 89 2.121 7.756 0.655 1.00 0.00 C ATOM 1359 CG PHE A 89 2.195 7.729 2.155 1.00 0.00 C ATOM 1360 CD1 PHE A 89 1.886 6.575 2.856 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.575 8.858 2.863 1.00 0.00 C ATOM 1362 CE1 PHE A 89 1.952 6.548 4.237 1.00 0.00 C ATOM 1363 CE2 PHE A 89 2.644 8.836 4.243 1.00 0.00 C ATOM 1364 CZ PHE A 89 2.333 7.680 4.931 1.00 0.00 C ATOM 0 H PHE A 89 -0.444 6.331 0.057 1.00 0.00 H new ATOM 0 HA PHE A 89 0.437 9.074 0.435 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.442 6.790 0.266 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.823 8.500 0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.590 5.686 2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.820 9.765 2.330 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.706 5.643 4.772 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.941 9.723 4.783 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.387 7.661 6.009 1.00 0.00 H new ATOM 1374 N LYS A 90 0.763 9.205 -2.026 1.00 0.00 N ATOM 1375 CA LYS A 90 0.774 9.305 -3.480 1.00 0.00 C ATOM 1376 C LYS A 90 2.197 9.212 -4.021 1.00 0.00 C ATOM 1377 O LYS A 90 3.050 10.039 -3.697 1.00 0.00 O ATOM 1378 CB LYS A 90 0.133 10.621 -3.926 1.00 0.00 C ATOM 1379 CG LYS A 90 -1.364 10.518 -4.166 1.00 0.00 C ATOM 1380 CD LYS A 90 -1.918 11.789 -4.787 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.377 11.625 -5.183 1.00 0.00 C ATOM 1382 NZ LYS A 90 -3.522 10.993 -6.523 1.00 0.00 N ATOM 0 H LYS A 90 0.782 10.103 -1.542 1.00 0.00 H new ATOM 0 HA LYS A 90 0.196 8.472 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.319 11.382 -3.168 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.617 10.959 -4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.571 9.672 -4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.872 10.322 -3.222 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.822 12.613 -4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.329 12.053 -5.665 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.889 11.017 -4.438 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.864 12.600 -5.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.986 11.659 -7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.582 10.746 -6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.099 10.132 -6.440 1.00 0.00 H new ATOM 1396 N CYS A 91 2.446 8.202 -4.847 1.00 0.00 N ATOM 1397 CA CYS A 91 3.766 8.001 -5.434 1.00 0.00 C ATOM 1398 C CYS A 91 3.654 7.604 -6.902 1.00 0.00 C ATOM 1399 O CYS A 91 2.571 7.275 -7.386 1.00 0.00 O ATOM 1400 CB CYS A 91 4.533 6.928 -4.660 1.00 0.00 C ATOM 1401 SG CYS A 91 6.329 7.020 -4.854 1.00 0.00 S ATOM 0 H CYS A 91 1.751 7.509 -5.125 1.00 0.00 H new ATOM 0 HA CYS A 91 4.311 8.943 -5.372 1.00 0.00 H new ATOM 0 HB2 CYS A 91 4.288 7.014 -3.601 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.193 5.946 -4.988 1.00 0.00 H new ATOM 0 HG CYS A 91 6.814 7.876 -4.004 1.00 0.00 H new ATOM 1407 N SER A 92 4.780 7.640 -7.607 1.00 0.00 N ATOM 1408 CA SER A 92 4.808 7.290 -9.022 1.00 0.00 C ATOM 1409 C SER A 92 5.328 5.869 -9.220 1.00 0.00 C ATOM 1410 O SER A 92 4.741 5.080 -9.961 1.00 0.00 O ATOM 1411 CB SER A 92 5.683 8.277 -9.797 1.00 0.00 C ATOM 1412 OG SER A 92 5.515 8.120 -11.195 1.00 0.00 O ATOM 0 H SER A 92 5.685 7.908 -7.221 1.00 0.00 H new ATOM 0 HA SER A 92 3.788 7.342 -9.403 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.428 9.297 -9.509 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.730 8.124 -9.534 1.00 0.00 H new ATOM 0 HG SER A 92 6.084 8.763 -11.667 1.00 0.00 H new ATOM 1418 N ARG A 93 6.432 5.551 -8.552 1.00 0.00 N ATOM 1419 CA ARG A 93 7.032 4.227 -8.655 1.00 0.00 C ATOM 1420 C ARG A 93 6.614 3.348 -7.479 1.00 0.00 C ATOM 1421 O ARG A 93 7.457 2.786 -6.781 1.00 0.00 O ATOM 1422 CB ARG A 93 8.557 4.337 -8.706 1.00 0.00 C ATOM 1423 CG ARG A 93 9.097 4.681 -10.084 1.00 0.00 C ATOM 1424 CD ARG A 93 10.387 5.480 -9.994 1.00 0.00 C ATOM 1425 NE ARG A 93 10.138 6.918 -9.939 1.00 0.00 N ATOM 1426 CZ ARG A 93 9.821 7.650 -11.002 1.00 0.00 C ATOM 1427 NH1 ARG A 93 9.714 7.081 -12.194 1.00 0.00 N ATOM 1428 NH2 ARG A 93 9.609 8.953 -10.872 1.00 0.00 N ATOM 0 H ARG A 93 6.929 6.192 -7.934 1.00 0.00 H new ATOM 0 HA ARG A 93 6.677 3.765 -9.576 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.882 5.099 -7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.992 3.392 -8.380 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.274 3.764 -10.646 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.351 5.253 -10.636 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.942 5.174 -9.107 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.014 5.254 -10.856 1.00 0.00 H new ATOM 0 HE ARG A 93 10.211 7.386 -9.036 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.875 6.079 -12.297 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.471 7.645 -13.008 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.689 9.394 -9.956 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.366 9.514 -11.688 1.00 0.00 H new ATOM 1442 N ALA A 94 5.307 3.235 -7.267 1.00 0.00 N ATOM 1443 CA ALA A 94 4.777 2.424 -6.178 1.00 0.00 C ATOM 1444 C ALA A 94 5.299 0.993 -6.255 1.00 0.00 C ATOM 1445 O ALA A 94 6.034 0.543 -5.377 1.00 0.00 O ATOM 1446 CB ALA A 94 3.256 2.436 -6.203 1.00 0.00 C ATOM 0 H ALA A 94 4.596 3.695 -7.835 1.00 0.00 H new ATOM 0 HA ALA A 94 5.117 2.856 -5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.874 1.826 -5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.898 3.460 -6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.904 2.031 -7.152 1.00 0.00 H new ATOM 1452 N GLU A 95 4.912 0.283 -7.311 1.00 0.00 N ATOM 1453 CA GLU A 95 5.341 -1.097 -7.500 1.00 0.00 C ATOM 1454 C GLU A 95 6.766 -1.299 -6.994 1.00 0.00 C ATOM 1455 O GLU A 95 7.003 -2.080 -6.073 1.00 0.00 O ATOM 1456 CB GLU A 95 5.253 -1.484 -8.978 1.00 0.00 C ATOM 1457 CG GLU A 95 5.201 -2.984 -9.213 1.00 0.00 C ATOM 1458 CD GLU A 95 4.424 -3.353 -10.462 1.00 0.00 C ATOM 1459 OE1 GLU A 95 3.655 -2.501 -10.954 1.00 0.00 O ATOM 1460 OE2 GLU A 95 4.585 -4.492 -10.946 1.00 0.00 O ATOM 0 H GLU A 95 4.303 0.641 -8.047 1.00 0.00 H new ATOM 0 HA GLU A 95 4.675 -1.739 -6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.364 -1.026 -9.412 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.114 -1.072 -9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.217 -3.371 -9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.744 -3.468 -8.349 1.00 0.00 H new ATOM 1467 N GLU A 96 7.710 -0.589 -7.603 1.00 0.00 N ATOM 1468 CA GLU A 96 9.112 -0.692 -7.215 1.00 0.00 C ATOM 1469 C GLU A 96 9.248 -0.850 -5.704 1.00 0.00 C ATOM 1470 O GLU A 96 9.826 -1.824 -5.220 1.00 0.00 O ATOM 1471 CB GLU A 96 9.885 0.544 -7.681 1.00 0.00 C ATOM 1472 CG GLU A 96 9.969 0.675 -9.193 1.00 0.00 C ATOM 1473 CD GLU A 96 11.085 -0.159 -9.790 1.00 0.00 C ATOM 1474 OE1 GLU A 96 10.954 -1.400 -9.811 1.00 0.00 O ATOM 1475 OE2 GLU A 96 12.091 0.431 -10.237 1.00 0.00 O ATOM 0 H GLU A 96 7.530 0.063 -8.366 1.00 0.00 H new ATOM 0 HA GLU A 96 9.531 -1.576 -7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.408 1.435 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.894 0.507 -7.271 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.019 0.372 -9.633 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.123 1.722 -9.455 1.00 0.00 H new ATOM 1482 N ILE A 97 8.713 0.115 -4.963 1.00 0.00 N ATOM 1483 CA ILE A 97 8.774 0.083 -3.507 1.00 0.00 C ATOM 1484 C ILE A 97 8.117 -1.179 -2.957 1.00 0.00 C ATOM 1485 O ILE A 97 8.528 -1.705 -1.923 1.00 0.00 O ATOM 1486 CB ILE A 97 8.090 1.316 -2.888 1.00 0.00 C ATOM 1487 CG1 ILE A 97 8.668 2.601 -3.485 1.00 0.00 C ATOM 1488 CG2 ILE A 97 8.252 1.308 -1.375 1.00 0.00 C ATOM 1489 CD1 ILE A 97 7.703 3.765 -3.462 1.00 0.00 C ATOM 0 H ILE A 97 8.232 0.929 -5.347 1.00 0.00 H new ATOM 0 HA ILE A 97 9.829 0.088 -3.235 1.00 0.00 H new ATOM 0 HB ILE A 97 7.026 1.277 -3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.568 2.875 -2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.970 2.410 -4.515 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.763 2.186 -0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.797 0.406 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.312 1.326 -1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.180 4.642 -3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.812 3.511 -4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.420 3.983 -2.432 1.00 0.00 H new ATOM 1501 N PHE A 98 7.096 -1.660 -3.657 1.00 0.00 N ATOM 1502 CA PHE A 98 6.382 -2.862 -3.240 1.00 0.00 C ATOM 1503 C PHE A 98 7.204 -4.113 -3.534 1.00 0.00 C ATOM 1504 O PHE A 98 7.131 -5.102 -2.806 1.00 0.00 O ATOM 1505 CB PHE A 98 5.029 -2.949 -3.948 1.00 0.00 C ATOM 1506 CG PHE A 98 4.641 -4.349 -4.331 1.00 0.00 C ATOM 1507 CD1 PHE A 98 3.975 -5.167 -3.433 1.00 0.00 C ATOM 1508 CD2 PHE A 98 4.943 -4.846 -5.588 1.00 0.00 C ATOM 1509 CE1 PHE A 98 3.618 -6.456 -3.782 1.00 0.00 C ATOM 1510 CE2 PHE A 98 4.588 -6.134 -5.943 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.924 -6.939 -5.039 1.00 0.00 C ATOM 0 H PHE A 98 6.744 -1.237 -4.516 1.00 0.00 H new ATOM 0 HA PHE A 98 6.218 -2.801 -2.164 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.260 -2.533 -3.297 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.057 -2.330 -4.845 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.732 -4.793 -2.449 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.462 -4.220 -6.299 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.100 -7.085 -3.072 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.830 -6.510 -6.926 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.644 -7.945 -5.315 1.00 0.00 H new ATOM 1521 N ASN A 99 7.986 -4.061 -4.607 1.00 0.00 N ATOM 1522 CA ASN A 99 8.822 -5.190 -5.000 1.00 0.00 C ATOM 1523 C ASN A 99 10.136 -5.190 -4.224 1.00 0.00 C ATOM 1524 O ASN A 99 10.752 -6.237 -4.025 1.00 0.00 O ATOM 1525 CB ASN A 99 9.105 -5.144 -6.503 1.00 0.00 C ATOM 1526 CG ASN A 99 8.063 -5.894 -7.310 1.00 0.00 C ATOM 1527 OD1 ASN A 99 7.586 -6.952 -6.898 1.00 0.00 O ATOM 1528 ND2 ASN A 99 7.705 -5.349 -8.466 1.00 0.00 N ATOM 0 H ASN A 99 8.059 -3.249 -5.220 1.00 0.00 H new ATOM 0 HA ASN A 99 8.282 -6.108 -4.767 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.138 -4.105 -6.832 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.089 -5.571 -6.698 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.008 -5.808 -9.052 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.127 -4.471 -8.768 1.00 0.00 H new ATOM 1535 N LEU A 100 10.558 -4.008 -3.787 1.00 0.00 N ATOM 1536 CA LEU A 100 11.799 -3.871 -3.032 1.00 0.00 C ATOM 1537 C LEU A 100 11.561 -4.116 -1.545 1.00 0.00 C ATOM 1538 O LEU A 100 12.403 -4.696 -0.858 1.00 0.00 O ATOM 1539 CB LEU A 100 12.395 -2.478 -3.242 1.00 0.00 C ATOM 1540 CG LEU A 100 13.920 -2.383 -3.169 1.00 0.00 C ATOM 1541 CD1 LEU A 100 14.388 -0.998 -3.588 1.00 0.00 C ATOM 1542 CD2 LEU A 100 14.408 -2.712 -1.766 1.00 0.00 C ATOM 0 H LEU A 100 10.060 -3.132 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 100 12.503 -4.619 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.074 -2.110 -4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 100 11.973 -1.807 -2.494 1.00 0.00 H new ATOM 0 HG LEU A 100 14.345 -3.112 -3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.475 -0.948 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 100 14.070 -0.801 -4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 100 13.955 -0.251 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 100 15.495 -2.639 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 100 13.975 -2.007 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.104 -3.725 -1.503 1.00 0.00 H new ATOM 1554 N LEU A 101 10.409 -3.672 -1.055 1.00 0.00 N ATOM 1555 CA LEU A 101 10.058 -3.845 0.351 1.00 0.00 C ATOM 1556 C LEU A 101 10.315 -5.279 0.804 1.00 0.00 C ATOM 1557 O LEU A 101 11.215 -5.535 1.603 1.00 0.00 O ATOM 1558 CB LEU A 101 8.590 -3.482 0.579 1.00 0.00 C ATOM 1559 CG LEU A 101 8.309 -2.025 0.948 1.00 0.00 C ATOM 1560 CD1 LEU A 101 6.817 -1.737 0.886 1.00 0.00 C ATOM 1561 CD2 LEU A 101 8.857 -1.709 2.332 1.00 0.00 C ATOM 0 H LEU A 101 9.702 -3.190 -1.610 1.00 0.00 H new ATOM 0 HA LEU A 101 10.687 -3.179 0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.032 -3.721 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.198 -4.119 1.372 1.00 0.00 H new ATOM 0 HG LEU A 101 8.813 -1.384 0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.636 -0.695 1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.452 -1.922 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.292 -2.387 1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.648 -0.668 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.382 -2.358 3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.934 -1.875 2.343 1.00 0.00 H new ATOM 1573 N GLN A 102 9.520 -6.209 0.285 1.00 0.00 N ATOM 1574 CA GLN A 102 9.664 -7.617 0.636 1.00 0.00 C ATOM 1575 C GLN A 102 11.125 -8.049 0.570 1.00 0.00 C ATOM 1576 O GLN A 102 11.596 -8.811 1.414 1.00 0.00 O ATOM 1577 CB GLN A 102 8.821 -8.486 -0.300 1.00 0.00 C ATOM 1578 CG GLN A 102 9.102 -8.243 -1.774 1.00 0.00 C ATOM 1579 CD GLN A 102 8.234 -9.092 -2.681 1.00 0.00 C ATOM 1580 OE1 GLN A 102 7.596 -8.582 -3.603 1.00 0.00 O ATOM 1581 NE2 GLN A 102 8.205 -10.394 -2.425 1.00 0.00 N ATOM 0 H GLN A 102 8.771 -6.013 -0.379 1.00 0.00 H new ATOM 0 HA GLN A 102 9.312 -7.748 1.659 1.00 0.00 H new ATOM 0 HB2 GLN A 102 9.005 -9.536 -0.072 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.765 -8.298 -0.104 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.938 -7.190 -2.002 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.151 -8.454 -1.980 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.750 -10.774 -1.651 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.638 -11.015 -3.003 1.00 0.00 H new ATOM 1590 N ASP A 103 11.837 -7.557 -0.438 1.00 0.00 N ATOM 1591 CA ASP A 103 13.246 -7.891 -0.613 1.00 0.00 C ATOM 1592 C ASP A 103 14.052 -7.517 0.627 1.00 0.00 C ATOM 1593 O ASP A 103 14.981 -8.226 1.014 1.00 0.00 O ATOM 1594 CB ASP A 103 13.812 -7.175 -1.840 1.00 0.00 C ATOM 1595 CG ASP A 103 14.927 -7.959 -2.504 1.00 0.00 C ATOM 1596 OD1 ASP A 103 15.779 -8.513 -1.777 1.00 0.00 O ATOM 1597 OD2 ASP A 103 14.948 -8.021 -3.751 1.00 0.00 O ATOM 0 H ASP A 103 11.462 -6.926 -1.146 1.00 0.00 H new ATOM 0 HA ASP A 103 13.323 -8.968 -0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.011 -7.006 -2.560 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.187 -6.195 -1.545 1.00 0.00 H new ATOM 1602 N LEU A 104 13.691 -6.397 1.244 1.00 0.00 N ATOM 1603 CA LEU A 104 14.381 -5.927 2.441 1.00 0.00 C ATOM 1604 C LEU A 104 13.801 -6.575 3.694 1.00 0.00 C ATOM 1605 O LEU A 104 14.521 -6.843 4.656 1.00 0.00 O ATOM 1606 CB LEU A 104 14.280 -4.404 2.547 1.00 0.00 C ATOM 1607 CG LEU A 104 14.629 -3.619 1.282 1.00 0.00 C ATOM 1608 CD1 LEU A 104 14.455 -2.126 1.515 1.00 0.00 C ATOM 1609 CD2 LEU A 104 16.051 -3.929 0.837 1.00 0.00 C ATOM 0 H LEU A 104 12.925 -5.798 0.936 1.00 0.00 H new ATOM 0 HA LEU A 104 15.430 -6.211 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 104 13.262 -4.147 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.938 -4.071 3.350 1.00 0.00 H new ATOM 0 HG LEU A 104 13.947 -3.924 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.708 -1.584 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 104 13.420 -1.918 1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 104 15.113 -1.805 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.282 -3.362 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.748 -3.653 1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.143 -4.995 0.628 1.00 0.00 H new ATOM 1621 N MET A 105 12.497 -6.826 3.674 1.00 0.00 N ATOM 1622 CA MET A 105 11.821 -7.447 4.808 1.00 0.00 C ATOM 1623 C MET A 105 12.561 -8.701 5.262 1.00 0.00 C ATOM 1624 O MET A 105 12.614 -9.003 6.454 1.00 0.00 O ATOM 1625 CB MET A 105 10.378 -7.797 4.440 1.00 0.00 C ATOM 1626 CG MET A 105 9.484 -6.580 4.264 1.00 0.00 C ATOM 1627 SD MET A 105 7.750 -7.020 4.033 1.00 0.00 S ATOM 1628 CE MET A 105 7.050 -6.467 5.586 1.00 0.00 C ATOM 0 H MET A 105 11.887 -6.609 2.886 1.00 0.00 H new ATOM 0 HA MET A 105 11.815 -6.732 5.631 1.00 0.00 H new ATOM 0 HB2 MET A 105 10.377 -8.375 3.516 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.958 -8.437 5.216 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.578 -5.935 5.138 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.826 -6.004 3.404 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.979 -6.671 5.596 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.528 -6.997 6.410 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.216 -5.396 5.699 1.00 0.00 H new ATOM 2275 N PHE B 2 -2.708 10.705 8.946 1.00 0.00 N ATOM 2276 CA PHE B 2 -4.140 10.688 8.672 1.00 0.00 C ATOM 2277 C PHE B 2 -4.723 9.298 8.909 1.00 0.00 C ATOM 2278 O PHE B 2 -3.996 8.305 8.938 1.00 0.00 O ATOM 2279 CB PHE B 2 -4.409 11.127 7.231 1.00 0.00 C ATOM 2280 CG PHE B 2 -5.840 10.950 6.808 1.00 0.00 C ATOM 2281 CD1 PHE B 2 -6.768 11.956 7.021 1.00 0.00 C ATOM 2282 CD2 PHE B 2 -6.256 9.778 6.198 1.00 0.00 C ATOM 2283 CE1 PHE B 2 -8.085 11.797 6.633 1.00 0.00 C ATOM 2284 CE2 PHE B 2 -7.571 9.613 5.807 1.00 0.00 C ATOM 2285 CZ PHE B 2 -8.487 10.624 6.026 1.00 0.00 C ATOM 0 HA PHE B 2 -4.624 11.387 9.355 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -4.133 12.176 7.122 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -3.767 10.557 6.560 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -6.459 12.875 7.496 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -5.544 8.984 6.026 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -8.799 12.589 6.804 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -7.882 8.695 5.331 1.00 0.00 H new ATOM 0 HZ PHE B 2 -9.516 10.497 5.723 1.00 0.00 H new ATOM 2295 N ARG B 3 -6.040 9.237 9.079 1.00 0.00 N ATOM 2296 CA ARG B 3 -6.721 7.970 9.316 1.00 0.00 C ATOM 2297 C ARG B 3 -7.629 7.613 8.143 1.00 0.00 C ATOM 2298 O ARG B 3 -8.554 8.356 7.811 1.00 0.00 O ATOM 2299 CB ARG B 3 -7.541 8.041 10.606 1.00 0.00 C ATOM 2300 CG ARG B 3 -8.185 9.397 10.844 1.00 0.00 C ATOM 2301 CD ARG B 3 -7.311 10.283 11.718 1.00 0.00 C ATOM 2302 NE ARG B 3 -5.892 9.975 11.564 1.00 0.00 N ATOM 2303 CZ ARG B 3 -4.926 10.614 12.214 1.00 0.00 C ATOM 2304 NH1 ARG B 3 -5.225 11.591 13.059 1.00 0.00 N ATOM 2305 NH2 ARG B 3 -3.658 10.276 12.020 1.00 0.00 N ATOM 0 H ARG B 3 -6.656 10.050 9.057 1.00 0.00 H new ATOM 0 HA ARG B 3 -5.964 7.193 9.417 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -8.320 7.279 10.574 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -6.895 7.802 11.451 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -8.363 9.889 9.888 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -9.157 9.261 11.318 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -7.485 11.328 11.463 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -7.598 10.158 12.762 1.00 0.00 H new ATOM 0 HE ARG B 3 -5.628 9.228 10.922 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -6.199 11.853 13.211 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -4.481 12.080 13.557 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -3.424 9.525 11.371 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -2.917 10.767 12.520 1.00 0.00 H new ATOM 2319 N LEU B 4 -7.358 6.472 7.518 1.00 0.00 N ATOM 2320 CA LEU B 4 -8.150 6.016 6.381 1.00 0.00 C ATOM 2321 C LEU B 4 -9.297 5.122 6.839 1.00 0.00 C ATOM 2322 O LEU B 4 -9.335 4.685 7.990 1.00 0.00 O ATOM 2323 CB LEU B 4 -7.264 5.261 5.388 1.00 0.00 C ATOM 2324 CG LEU B 4 -6.624 6.103 4.284 1.00 0.00 C ATOM 2325 CD1 LEU B 4 -5.778 5.231 3.370 1.00 0.00 C ATOM 2326 CD2 LEU B 4 -7.692 6.837 3.486 1.00 0.00 C ATOM 0 H LEU B 4 -6.596 5.846 7.779 1.00 0.00 H new ATOM 0 HA LEU B 4 -8.572 6.892 5.889 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -6.470 4.765 5.945 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.862 4.479 4.920 1.00 0.00 H new ATOM 0 HG LEU B 4 -5.974 6.844 4.749 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -5.331 5.848 2.590 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -4.990 4.752 3.951 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.406 4.467 2.912 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.218 7.431 2.705 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.368 6.113 3.032 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.255 7.493 4.150 1.00 0.00 H new ATOM 2338 N ARG B 5 -10.229 4.852 5.932 1.00 0.00 N ATOM 2339 CA ARG B 5 -11.376 4.008 6.243 1.00 0.00 C ATOM 2340 C ARG B 5 -11.213 2.620 5.630 1.00 0.00 C ATOM 2341 O ARG B 5 -11.509 1.609 6.268 1.00 0.00 O ATOM 2342 CB ARG B 5 -12.665 4.654 5.731 1.00 0.00 C ATOM 2343 CG ARG B 5 -13.303 5.610 6.726 1.00 0.00 C ATOM 2344 CD ARG B 5 -14.811 5.685 6.538 1.00 0.00 C ATOM 2345 NE ARG B 5 -15.443 6.553 7.529 1.00 0.00 N ATOM 2346 CZ ARG B 5 -15.577 6.229 8.810 1.00 0.00 C ATOM 2347 NH1 ARG B 5 -15.124 5.065 9.254 1.00 0.00 N ATOM 2348 NH2 ARG B 5 -16.164 7.072 9.650 1.00 0.00 N ATOM 0 H ARG B 5 -10.213 5.206 4.975 1.00 0.00 H new ATOM 0 HA ARG B 5 -11.434 3.903 7.326 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -12.450 5.193 4.808 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -13.381 3.870 5.483 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -13.078 5.284 7.741 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -12.870 6.603 6.607 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -15.034 6.055 5.537 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -15.236 4.684 6.610 1.00 0.00 H new ATOM 0 HE ARG B 5 -15.801 7.457 7.220 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -14.671 4.415 8.611 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -15.228 4.819 10.238 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -16.512 7.969 9.312 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -16.267 6.823 10.634 1.00 0.00 H new ATOM 2362 N HIS B 6 -10.741 2.579 4.388 1.00 0.00 N ATOM 2363 CA HIS B 6 -10.538 1.315 3.689 1.00 0.00 C ATOM 2364 C HIS B 6 -9.216 1.323 2.926 1.00 0.00 C ATOM 2365 O HIS B 6 -8.678 2.383 2.606 1.00 0.00 O ATOM 2366 CB HIS B 6 -11.695 1.050 2.725 1.00 0.00 C ATOM 2367 CG HIS B 6 -12.042 2.227 1.867 1.00 0.00 C ATOM 2368 ND1 HIS B 6 -11.599 2.370 0.569 1.00 0.00 N ATOM 2369 CD2 HIS B 6 -12.796 3.321 2.128 1.00 0.00 C ATOM 2370 CE1 HIS B 6 -12.064 3.501 0.069 1.00 0.00 C ATOM 2371 NE2 HIS B 6 -12.794 4.097 0.995 1.00 0.00 N ATOM 0 H HIS B 6 -10.492 3.406 3.845 1.00 0.00 H new ATOM 0 HA HIS B 6 -10.504 0.518 4.432 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -11.437 0.207 2.084 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -12.575 0.757 3.298 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -13.304 3.542 3.055 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -11.879 3.875 -0.927 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -13.277 4.989 0.886 1.00 0.00 H new ATOM 2380 N PHE B 7 -8.699 0.133 2.637 1.00 0.00 N ATOM 2381 CA PHE B 7 -7.440 0.003 1.913 1.00 0.00 C ATOM 2382 C PHE B 7 -7.635 0.287 0.427 1.00 0.00 C ATOM 2383 O PHE B 7 -8.358 -0.419 -0.277 1.00 0.00 O ATOM 2384 CB PHE B 7 -6.860 -1.401 2.104 1.00 0.00 C ATOM 2385 CG PHE B 7 -5.361 -1.445 2.033 1.00 0.00 C ATOM 2386 CD1 PHE B 7 -4.593 -0.537 2.745 1.00 0.00 C ATOM 2387 CD2 PHE B 7 -4.719 -2.394 1.254 1.00 0.00 C ATOM 2388 CE1 PHE B 7 -3.213 -0.576 2.682 1.00 0.00 C ATOM 2389 CE2 PHE B 7 -3.339 -2.437 1.188 1.00 0.00 C ATOM 2390 CZ PHE B 7 -2.585 -1.526 1.902 1.00 0.00 C ATOM 0 H PHE B 7 -9.132 -0.754 2.893 1.00 0.00 H new ATOM 0 HA PHE B 7 -6.741 0.736 2.316 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -7.182 -1.790 3.070 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -7.271 -2.062 1.341 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -5.079 0.210 3.356 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -5.303 -3.108 0.692 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -2.626 0.136 3.243 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.850 -3.183 0.578 1.00 0.00 H new ATOM 0 HZ PHE B 7 -1.507 -1.557 1.850 1.00 0.00 H new ATOM 2400 N PRO B 8 -6.975 1.347 -0.064 1.00 0.00 N ATOM 2401 CA PRO B 8 -7.060 1.750 -1.471 1.00 0.00 C ATOM 2402 C PRO B 8 -6.362 0.762 -2.400 1.00 0.00 C ATOM 2403 O PRO B 8 -6.914 0.365 -3.427 1.00 0.00 O ATOM 2404 CB PRO B 8 -6.345 3.103 -1.496 1.00 0.00 C ATOM 2405 CG PRO B 8 -5.411 3.060 -0.336 1.00 0.00 C ATOM 2406 CD PRO B 8 -6.096 2.233 0.717 1.00 0.00 C ATOM 0 HA PRO B 8 -8.091 1.791 -1.822 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -5.807 3.249 -2.432 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -7.053 3.927 -1.404 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -4.456 2.617 -0.620 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -5.200 4.064 0.032 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -5.380 1.666 1.312 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -6.664 2.854 1.409 1.00 0.00 H new ATOM 2414 N CYS B 9 -5.147 0.369 -2.033 1.00 0.00 N ATOM 2415 CA CYS B 9 -4.374 -0.573 -2.834 1.00 0.00 C ATOM 2416 C CYS B 9 -5.067 -1.930 -2.898 1.00 0.00 C ATOM 2417 O CYS B 9 -5.855 -2.278 -2.019 1.00 0.00 O ATOM 2418 CB CYS B 9 -2.967 -0.731 -2.256 1.00 0.00 C ATOM 2419 SG CYS B 9 -1.950 0.760 -2.369 1.00 0.00 S ATOM 0 H CYS B 9 -4.676 0.688 -1.186 1.00 0.00 H new ATOM 0 HA CYS B 9 -4.300 -0.176 -3.846 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.047 -1.025 -1.209 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -2.461 -1.543 -2.777 1.00 0.00 H new ATOM 0 HG CYS B 9 -1.729 1.041 -3.619 1.00 0.00 H new ATOM 2425 N GLY B 10 -4.769 -2.692 -3.945 1.00 0.00 N ATOM 2426 CA GLY B 10 -5.373 -4.002 -4.105 1.00 0.00 C ATOM 2427 C GLY B 10 -4.363 -5.126 -3.981 1.00 0.00 C ATOM 2428 O GLY B 10 -4.408 -5.908 -3.033 1.00 0.00 O ATOM 0 H GLY B 10 -4.120 -2.426 -4.686 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -6.152 -4.133 -3.354 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -5.857 -4.059 -5.080 1.00 0.00 H new ATOM 2432 N ASN B 11 -3.450 -5.207 -4.944 1.00 0.00 N ATOM 2433 CA ASN B 11 -2.426 -6.245 -4.939 1.00 0.00 C ATOM 2434 C ASN B 11 -1.495 -6.086 -3.741 1.00 0.00 C ATOM 2435 O ASN B 11 -0.561 -5.284 -3.768 1.00 0.00 O ATOM 2436 CB ASN B 11 -1.617 -6.198 -6.237 1.00 0.00 C ATOM 2437 CG ASN B 11 -1.091 -7.562 -6.640 1.00 0.00 C ATOM 2438 OD1 ASN B 11 -0.012 -7.975 -6.214 1.00 0.00 O ATOM 2439 ND2 ASN B 11 -1.853 -8.270 -7.466 1.00 0.00 N ATOM 0 H ASN B 11 -3.399 -4.567 -5.737 1.00 0.00 H new ATOM 0 HA ASN B 11 -2.924 -7.211 -4.863 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -2.242 -5.802 -7.037 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -0.780 -5.510 -6.116 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -1.551 -9.195 -7.772 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -2.740 -7.889 -7.794 1.00 0.00 H new ATOM 2446 N VAL B 12 -1.756 -6.856 -2.689 1.00 0.00 N ATOM 2447 CA VAL B 12 -0.942 -6.802 -1.481 1.00 0.00 C ATOM 2448 C VAL B 12 -0.322 -8.161 -1.175 1.00 0.00 C ATOM 2449 O VAL B 12 -1.002 -9.186 -1.208 1.00 0.00 O ATOM 2450 CB VAL B 12 -1.769 -6.343 -0.266 1.00 0.00 C ATOM 2451 CG1 VAL B 12 -3.058 -7.144 -0.164 1.00 0.00 C ATOM 2452 CG2 VAL B 12 -0.953 -6.465 1.011 1.00 0.00 C ATOM 0 H VAL B 12 -2.525 -7.525 -2.649 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.149 -6.077 -1.666 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.031 -5.294 -0.403 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.629 -6.806 0.700 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.649 -6.999 -1.069 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.821 -8.202 -0.051 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.553 -6.136 1.859 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.658 -7.504 1.156 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.062 -5.842 0.934 1.00 0.00 H new ATOM 2462 N ASN B 13 0.973 -8.161 -0.877 1.00 0.00 N ATOM 2463 CA ASN B 13 1.686 -9.395 -0.564 1.00 0.00 C ATOM 2464 C ASN B 13 2.082 -9.436 0.908 1.00 0.00 C ATOM 2465 O ASN B 13 3.225 -9.144 1.263 1.00 0.00 O ATOM 2466 CB ASN B 13 2.931 -9.526 -1.443 1.00 0.00 C ATOM 2467 CG ASN B 13 3.947 -10.493 -0.867 1.00 0.00 C ATOM 2468 OD1 ASN B 13 3.585 -11.496 -0.251 1.00 0.00 O ATOM 2469 ND2 ASN B 13 5.226 -10.195 -1.064 1.00 0.00 N ATOM 0 H ASN B 13 1.550 -7.321 -0.846 1.00 0.00 H new ATOM 0 HA ASN B 13 1.018 -10.232 -0.765 1.00 0.00 H new ATOM 0 HB2 ASN B 13 2.637 -9.862 -2.437 1.00 0.00 H new ATOM 0 HB3 ASN B 13 3.393 -8.546 -1.562 1.00 0.00 H new ATOM 0 HD21 ASN B 13 5.955 -10.808 -0.699 1.00 0.00 H new ATOM 0 HD22 ASN B 13 5.480 -9.353 -1.581 1.00 0.00 H new ATOM 2476 N TYR B 14 1.132 -9.801 1.761 1.00 0.00 N ATOM 2477 CA TYR B 14 1.381 -9.879 3.196 1.00 0.00 C ATOM 2478 C TYR B 14 2.798 -10.369 3.477 1.00 0.00 C ATOM 2479 O TYR B 14 3.331 -11.210 2.754 1.00 0.00 O ATOM 2480 CB TYR B 14 0.366 -10.811 3.861 1.00 0.00 C ATOM 2481 CG TYR B 14 -1.067 -10.521 3.473 1.00 0.00 C ATOM 2482 CD1 TYR B 14 -1.667 -9.313 3.804 1.00 0.00 C ATOM 2483 CD2 TYR B 14 -1.820 -11.457 2.774 1.00 0.00 C ATOM 2484 CE1 TYR B 14 -2.975 -9.045 3.452 1.00 0.00 C ATOM 2485 CE2 TYR B 14 -3.129 -11.197 2.416 1.00 0.00 C ATOM 2486 CZ TYR B 14 -3.702 -9.989 2.758 1.00 0.00 C ATOM 2487 OH TYR B 14 -5.006 -9.726 2.404 1.00 0.00 O ATOM 0 H TYR B 14 0.182 -10.048 1.484 1.00 0.00 H new ATOM 0 HA TYR B 14 1.273 -8.878 3.613 1.00 0.00 H new ATOM 0 HB2 TYR B 14 0.604 -11.841 3.597 1.00 0.00 H new ATOM 0 HB3 TYR B 14 0.464 -10.729 4.943 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -1.101 -8.570 4.346 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -1.374 -12.404 2.506 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -3.426 -8.101 3.719 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.700 -11.935 1.872 1.00 0.00 H new ATOM 0 HH TYR B 14 -5.375 -10.494 1.919 1.00 0.00 H new ATOM 2497 N GLY B 15 3.402 -9.837 4.535 1.00 0.00 N ATOM 2498 CA GLY B 15 4.752 -10.231 4.894 1.00 0.00 C ATOM 2499 C GLY B 15 4.829 -10.834 6.283 1.00 0.00 C ATOM 2500 O GLY B 15 4.596 -12.030 6.462 1.00 0.00 O ATOM 0 H GLY B 15 2.981 -9.140 5.150 1.00 0.00 H new ATOM 0 HA2 GLY B 15 5.122 -10.953 4.166 1.00 0.00 H new ATOM 0 HA3 GLY B 15 5.407 -9.361 4.842 1.00 0.00 H new