USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 561 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: C 51 SER OG : rot 177:sc= 1.21 USER MOD Set 1.2: C 54 THR OG1 : rot 132:sc= 1.24 USER MOD Set 2.1: C 31 TYR OH : rot 180:sc= 0.97 USER MOD Set 2.2: C 59 LYS NZ :NH3+ -151:sc= 1.27 (180deg=-1.77!) USER MOD Single : C 13 TYR OH : rot 30:sc= -0.114 USER MOD Single : C 14 LYS NZ :NH3+ 169:sc= 1.25 (180deg=0.995) USER MOD Single : C 20 TYR OH : rot 180:sc= 0 USER MOD Single : C 22 SER OG : rot 180:sc= 0 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 30 LYS NZ :NH3+ -171:sc= -0.0192 (180deg=-0.149) USER MOD Single : C 33 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.075) USER MOD Single : C 36 SER OG : rot 84:sc= 1.13 USER MOD Single : C 38 ASN : amide:sc= -0.262 K(o=-0.26,f=-3.1) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 GLN : amide:sc= -0.0044 K(o=-0.0044,f=-0.76) USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 50 MET CE :methyl 160:sc= -0.165 (180deg=-0.705) USER MOD Single : C 53 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : C 65 TYR OH : rot 180:sc= 0 USER MOD Single : C 69 SER OG : rot 140:sc= -1.68! USER MOD Single : C 70 GLN :FLIP amide:sc= -0.0723 F(o=-1.9,f=-0.072) USER MOD Single : C 71 TYR OH : rot 18:sc= 1.13 USER MOD Single : C 76 TYR OH : rot 180:sc= -0.0277 USER MOD Single : C 77 MET CE :methyl 158:sc= -0.311 (180deg=-1.33!) USER MOD Single : C 78 SER OG : rot 32:sc= 0.0351 USER MOD Single : C 79 LYS NZ :NH3+ 166:sc= -0.0231 (180deg=-0.23) USER MOD Single : C 80 THR OG1 : rot 180:sc= 0.00986 USER MOD Single : C 85 ASN :FLIP amide:sc= -0.0441 F(o=-2.4!,f=-0.044) USER MOD Single : C 86 TYR OH : rot 180:sc= 0 USER MOD Single : C 87 THR OG1 : rot -24:sc= -0.499 USER MOD ----------------------------------------------------------------- ATOM 167 N LEU C 12 2.569 7.245 -2.349 1.00 0.00 N ATOM 168 CA LEU C 12 2.959 6.478 -1.179 1.00 0.00 C ATOM 169 C LEU C 12 1.715 5.899 -0.520 1.00 0.00 C ATOM 170 O LEU C 12 0.595 6.310 -0.830 1.00 0.00 O ATOM 171 CB LEU C 12 3.744 7.347 -0.185 1.00 0.00 C ATOM 172 CG LEU C 12 5.216 7.609 -0.548 1.00 0.00 C ATOM 173 CD1 LEU C 12 5.336 8.496 -1.778 1.00 0.00 C ATOM 174 CD2 LEU C 12 5.952 8.233 0.627 1.00 0.00 C ATOM 0 HA LEU C 12 3.614 5.665 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU C 12 3.236 8.307 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU C 12 3.710 6.869 0.794 1.00 0.00 H new ATOM 0 HG LEU C 12 5.675 6.649 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU C 12 6.389 8.661 -2.006 1.00 0.00 H new ATOM 0 HD12 LEU C 12 4.853 8.010 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU C 12 4.852 9.454 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU C 12 6.992 8.411 0.352 1.00 0.00 H new ATOM 0 HD22 LEU C 12 5.479 9.179 0.892 1.00 0.00 H new ATOM 0 HD23 LEU C 12 5.913 7.557 1.481 1.00 0.00 H new ATOM 186 N TYR C 13 1.905 4.960 0.395 1.00 0.00 N ATOM 187 CA TYR C 13 0.786 4.225 0.968 1.00 0.00 C ATOM 188 C TYR C 13 0.301 4.892 2.249 1.00 0.00 C ATOM 189 O TYR C 13 1.058 5.616 2.898 1.00 0.00 O ATOM 190 CB TYR C 13 1.185 2.777 1.240 1.00 0.00 C ATOM 191 CG TYR C 13 1.951 2.140 0.101 1.00 0.00 C ATOM 192 CD1 TYR C 13 3.290 1.809 0.247 1.00 0.00 C ATOM 193 CD2 TYR C 13 1.340 1.881 -1.122 1.00 0.00 C ATOM 194 CE1 TYR C 13 4.002 1.240 -0.787 1.00 0.00 C ATOM 195 CE2 TYR C 13 2.048 1.308 -2.162 1.00 0.00 C ATOM 196 CZ TYR C 13 3.378 0.991 -1.988 1.00 0.00 C ATOM 197 OH TYR C 13 4.091 0.429 -3.018 1.00 0.00 O ATOM 0 H TYR C 13 2.820 4.689 0.756 1.00 0.00 H new ATOM 0 HA TYR C 13 -0.033 4.232 0.248 1.00 0.00 H new ATOM 0 HB2 TYR C 13 1.794 2.739 2.143 1.00 0.00 H new ATOM 0 HB3 TYR C 13 0.287 2.191 1.436 1.00 0.00 H new ATOM 0 HD1 TYR C 13 3.784 2.001 1.188 1.00 0.00 H new ATOM 0 HD2 TYR C 13 0.299 2.131 -1.261 1.00 0.00 H new ATOM 0 HE1 TYR C 13 5.045 0.991 -0.655 1.00 0.00 H new ATOM 0 HE2 TYR C 13 1.562 1.110 -3.106 1.00 0.00 H new ATOM 0 HH TYR C 13 4.797 -0.145 -2.653 1.00 0.00 H new ATOM 207 N LYS C 14 -0.963 4.657 2.610 1.00 0.00 N ATOM 208 CA LYS C 14 -1.542 5.311 3.766 1.00 0.00 C ATOM 209 C LYS C 14 -2.094 4.285 4.730 1.00 0.00 C ATOM 210 O LYS C 14 -2.750 3.330 4.337 1.00 0.00 O ATOM 211 CB LYS C 14 -2.668 6.248 3.349 1.00 0.00 C ATOM 212 CG LYS C 14 -3.164 7.148 4.473 1.00 0.00 C ATOM 213 CD LYS C 14 -4.401 7.933 4.064 1.00 0.00 C ATOM 214 CE LYS C 14 -5.622 7.033 3.898 1.00 0.00 C ATOM 215 NZ LYS C 14 -6.035 6.400 5.182 1.00 0.00 N ATOM 0 H LYS C 14 -1.593 4.023 2.118 1.00 0.00 H new ATOM 0 HA LYS C 14 -0.754 5.887 4.252 1.00 0.00 H new ATOM 0 HB2 LYS C 14 -2.324 6.870 2.523 1.00 0.00 H new ATOM 0 HB3 LYS C 14 -3.503 5.655 2.975 1.00 0.00 H new ATOM 0 HG2 LYS C 14 -3.392 6.542 5.350 1.00 0.00 H new ATOM 0 HG3 LYS C 14 -2.373 7.840 4.760 1.00 0.00 H new ATOM 0 HD2 LYS C 14 -4.612 8.694 4.815 1.00 0.00 H new ATOM 0 HD3 LYS C 14 -4.206 8.455 3.127 1.00 0.00 H new ATOM 0 HE2 LYS C 14 -6.451 7.618 3.501 1.00 0.00 H new ATOM 0 HE3 LYS C 14 -5.401 6.256 3.166 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 -6.966 5.952 5.064 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 -5.336 5.680 5.455 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 -6.091 7.126 5.925 1.00 0.00 H new ATOM 229 N ASP C 15 -1.821 4.511 5.986 1.00 0.00 N ATOM 230 CA ASP C 15 -2.331 3.673 7.060 1.00 0.00 C ATOM 231 C ASP C 15 -3.768 4.096 7.390 1.00 0.00 C ATOM 232 O ASP C 15 -4.388 4.831 6.619 1.00 0.00 O ATOM 233 CB ASP C 15 -1.386 3.746 8.287 1.00 0.00 C ATOM 234 CG ASP C 15 -1.934 4.506 9.489 1.00 0.00 C ATOM 235 OD1 ASP C 15 -2.364 5.669 9.336 1.00 0.00 O ATOM 236 OD2 ASP C 15 -1.958 3.923 10.591 1.00 0.00 O ATOM 0 H ASP C 15 -1.236 5.283 6.305 1.00 0.00 H new ATOM 0 HA ASP C 15 -2.358 2.629 6.749 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -1.145 2.730 8.600 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -0.452 4.214 7.977 1.00 0.00 H new ATOM 241 N ALA C 16 -4.281 3.661 8.528 1.00 0.00 N ATOM 242 CA ALA C 16 -5.679 3.866 8.868 1.00 0.00 C ATOM 243 C ALA C 16 -6.003 5.347 9.088 1.00 0.00 C ATOM 244 O ALA C 16 -6.864 5.903 8.404 1.00 0.00 O ATOM 245 CB ALA C 16 -6.040 3.050 10.119 1.00 0.00 C ATOM 0 H ALA C 16 -3.746 3.160 9.237 1.00 0.00 H new ATOM 0 HA ALA C 16 -6.279 3.523 8.025 1.00 0.00 H new ATOM 0 HB1 ALA C 16 -7.089 3.209 10.367 1.00 0.00 H new ATOM 0 HB2 ALA C 16 -5.870 1.991 9.924 1.00 0.00 H new ATOM 0 HB3 ALA C 16 -5.417 3.370 10.954 1.00 0.00 H new ATOM 251 N ASP C 17 -5.292 6.002 10.005 1.00 0.00 N ATOM 252 CA ASP C 17 -5.702 7.329 10.454 1.00 0.00 C ATOM 253 C ASP C 17 -4.920 8.428 9.754 1.00 0.00 C ATOM 254 O ASP C 17 -5.168 9.613 9.989 1.00 0.00 O ATOM 255 CB ASP C 17 -5.567 7.478 11.974 1.00 0.00 C ATOM 256 CG ASP C 17 -4.157 7.792 12.433 1.00 0.00 C ATOM 257 OD1 ASP C 17 -3.907 8.946 12.850 1.00 0.00 O ATOM 258 OD2 ASP C 17 -3.299 6.893 12.394 1.00 0.00 O ATOM 0 H ASP C 17 -4.444 5.643 10.444 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.754 7.435 10.188 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -6.235 8.270 12.313 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -5.898 6.556 12.451 1.00 0.00 H new ATOM 263 N GLY C 18 -3.992 8.054 8.890 1.00 0.00 N ATOM 264 CA GLY C 18 -3.312 9.060 8.101 1.00 0.00 C ATOM 265 C GLY C 18 -1.800 8.995 8.188 1.00 0.00 C ATOM 266 O GLY C 18 -1.107 9.927 7.776 1.00 0.00 O ATOM 0 H GLY C 18 -3.700 7.091 8.721 1.00 0.00 H new ATOM 0 HA2 GLY C 18 -3.610 8.952 7.058 1.00 0.00 H new ATOM 0 HA3 GLY C 18 -3.642 10.046 8.426 1.00 0.00 H new ATOM 270 N VAL C 19 -1.290 7.901 8.712 1.00 0.00 N ATOM 271 CA VAL C 19 0.142 7.659 8.748 1.00 0.00 C ATOM 272 C VAL C 19 0.596 7.142 7.394 1.00 0.00 C ATOM 273 O VAL C 19 0.049 6.169 6.885 1.00 0.00 O ATOM 274 CB VAL C 19 0.503 6.631 9.844 1.00 0.00 C ATOM 275 CG1 VAL C 19 1.963 6.211 9.743 1.00 0.00 C ATOM 276 CG2 VAL C 19 0.214 7.203 11.222 1.00 0.00 C ATOM 0 H VAL C 19 -1.851 7.155 9.124 1.00 0.00 H new ATOM 0 HA VAL C 19 0.648 8.596 8.979 1.00 0.00 H new ATOM 0 HB VAL C 19 -0.115 5.746 9.692 1.00 0.00 H new ATOM 0 HG11 VAL C 19 2.188 5.487 10.526 1.00 0.00 H new ATOM 0 HG12 VAL C 19 2.145 5.759 8.768 1.00 0.00 H new ATOM 0 HG13 VAL C 19 2.602 7.086 9.862 1.00 0.00 H new ATOM 0 HG21 VAL C 19 0.473 6.467 11.983 1.00 0.00 H new ATOM 0 HG22 VAL C 19 0.806 8.105 11.373 1.00 0.00 H new ATOM 0 HG23 VAL C 19 -0.845 7.447 11.300 1.00 0.00 H new ATOM 286 N TYR C 20 1.573 7.793 6.792 1.00 0.00 N ATOM 287 CA TYR C 20 2.041 7.368 5.495 1.00 0.00 C ATOM 288 C TYR C 20 3.277 6.485 5.654 1.00 0.00 C ATOM 289 O TYR C 20 3.801 6.317 6.759 1.00 0.00 O ATOM 290 CB TYR C 20 2.334 8.575 4.594 1.00 0.00 C ATOM 291 CG TYR C 20 3.650 9.258 4.875 1.00 0.00 C ATOM 292 CD1 TYR C 20 4.801 8.852 4.220 1.00 0.00 C ATOM 293 CD2 TYR C 20 3.746 10.300 5.788 1.00 0.00 C ATOM 294 CE1 TYR C 20 6.010 9.454 4.462 1.00 0.00 C ATOM 295 CE2 TYR C 20 4.957 10.915 6.038 1.00 0.00 C ATOM 296 CZ TYR C 20 6.088 10.488 5.372 1.00 0.00 C ATOM 297 OH TYR C 20 7.297 11.100 5.618 1.00 0.00 O ATOM 0 H TYR C 20 2.050 8.608 7.178 1.00 0.00 H new ATOM 0 HA TYR C 20 1.257 6.784 5.013 1.00 0.00 H new ATOM 0 HB2 TYR C 20 2.323 8.248 3.554 1.00 0.00 H new ATOM 0 HB3 TYR C 20 1.530 9.302 4.708 1.00 0.00 H new ATOM 0 HD1 TYR C 20 4.746 8.045 3.504 1.00 0.00 H new ATOM 0 HD2 TYR C 20 2.861 10.634 6.310 1.00 0.00 H new ATOM 0 HE1 TYR C 20 6.896 9.120 3.943 1.00 0.00 H new ATOM 0 HE2 TYR C 20 5.019 11.725 6.750 1.00 0.00 H new ATOM 0 HH TYR C 20 7.175 11.809 6.284 1.00 0.00 H new ATOM 307 N VAL C 21 3.733 5.937 4.543 1.00 0.00 N ATOM 308 CA VAL C 21 4.839 4.987 4.524 1.00 0.00 C ATOM 309 C VAL C 21 5.591 5.153 3.209 1.00 0.00 C ATOM 310 O VAL C 21 4.979 5.379 2.159 1.00 0.00 O ATOM 311 CB VAL C 21 4.363 3.502 4.701 1.00 0.00 C ATOM 312 CG1 VAL C 21 3.048 3.393 5.472 1.00 0.00 C ATOM 313 CG2 VAL C 21 4.238 2.778 3.377 1.00 0.00 C ATOM 0 H VAL C 21 3.347 6.137 3.621 1.00 0.00 H new ATOM 0 HA VAL C 21 5.492 5.200 5.371 1.00 0.00 H new ATOM 0 HB VAL C 21 5.143 3.018 5.289 1.00 0.00 H new ATOM 0 HG11 VAL C 21 2.766 2.344 5.565 1.00 0.00 H new ATOM 0 HG12 VAL C 21 3.172 3.825 6.465 1.00 0.00 H new ATOM 0 HG13 VAL C 21 2.267 3.932 4.937 1.00 0.00 H new ATOM 0 HG21 VAL C 21 3.906 1.755 3.552 1.00 0.00 H new ATOM 0 HG22 VAL C 21 3.512 3.293 2.748 1.00 0.00 H new ATOM 0 HG23 VAL C 21 5.206 2.765 2.877 1.00 0.00 H new ATOM 323 N SER C 22 6.907 5.085 3.276 1.00 0.00 N ATOM 324 CA SER C 22 7.734 5.257 2.095 1.00 0.00 C ATOM 325 C SER C 22 7.731 3.988 1.254 1.00 0.00 C ATOM 326 O SER C 22 7.728 2.883 1.793 1.00 0.00 O ATOM 327 CB SER C 22 9.160 5.623 2.508 1.00 0.00 C ATOM 328 OG SER C 22 9.167 6.804 3.295 1.00 0.00 O ATOM 0 H SER C 22 7.427 4.912 4.136 1.00 0.00 H new ATOM 0 HA SER C 22 7.324 6.067 1.492 1.00 0.00 H new ATOM 0 HB2 SER C 22 9.603 4.802 3.072 1.00 0.00 H new ATOM 0 HB3 SER C 22 9.775 5.768 1.620 1.00 0.00 H new ATOM 0 HG SER C 22 10.088 7.021 3.551 1.00 0.00 H new ATOM 334 N ALA C 23 7.721 4.153 -0.061 1.00 0.00 N ATOM 335 CA ALA C 23 7.719 3.026 -0.971 1.00 0.00 C ATOM 336 C ALA C 23 9.081 2.888 -1.620 1.00 0.00 C ATOM 337 O ALA C 23 9.550 3.785 -2.324 1.00 0.00 O ATOM 338 CB ALA C 23 6.638 3.186 -2.025 1.00 0.00 C ATOM 0 H ALA C 23 7.714 5.064 -0.520 1.00 0.00 H new ATOM 0 HA ALA C 23 7.503 2.120 -0.405 1.00 0.00 H new ATOM 0 HB1 ALA C 23 6.655 2.328 -2.697 1.00 0.00 H new ATOM 0 HB2 ALA C 23 5.664 3.248 -1.540 1.00 0.00 H new ATOM 0 HB3 ALA C 23 6.818 4.097 -2.595 1.00 0.00 H new ATOM 344 N LEU C 24 9.715 1.766 -1.362 1.00 0.00 N ATOM 345 CA LEU C 24 11.055 1.504 -1.853 1.00 0.00 C ATOM 346 C LEU C 24 11.019 0.380 -2.884 1.00 0.00 C ATOM 347 O LEU C 24 10.978 -0.798 -2.527 1.00 0.00 O ATOM 348 CB LEU C 24 11.998 1.116 -0.697 1.00 0.00 C ATOM 349 CG LEU C 24 12.054 2.078 0.503 1.00 0.00 C ATOM 350 CD1 LEU C 24 12.154 3.522 0.038 1.00 0.00 C ATOM 351 CD2 LEU C 24 10.858 1.883 1.425 1.00 0.00 C ATOM 0 H LEU C 24 9.319 1.008 -0.806 1.00 0.00 H new ATOM 0 HA LEU C 24 11.433 2.415 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU C 24 11.701 0.133 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU C 24 13.006 1.015 -1.100 1.00 0.00 H new ATOM 0 HG LEU C 24 12.953 1.844 1.074 1.00 0.00 H new ATOM 0 HD11 LEU C 24 12.192 4.182 0.905 1.00 0.00 H new ATOM 0 HD12 LEU C 24 13.059 3.651 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU C 24 11.283 3.770 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU C 24 10.927 2.577 2.263 1.00 0.00 H new ATOM 0 HD22 LEU C 24 9.938 2.072 0.872 1.00 0.00 H new ATOM 0 HD23 LEU C 24 10.852 0.860 1.801 1.00 0.00 H new ATOM 363 N PRO C 25 11.012 0.723 -4.178 1.00 0.00 N ATOM 364 CA PRO C 25 11.000 -0.268 -5.255 1.00 0.00 C ATOM 365 C PRO C 25 12.291 -1.079 -5.293 1.00 0.00 C ATOM 366 O PRO C 25 13.333 -0.585 -5.729 1.00 0.00 O ATOM 367 CB PRO C 25 10.854 0.573 -6.532 1.00 0.00 C ATOM 368 CG PRO C 25 10.397 1.915 -6.066 1.00 0.00 C ATOM 369 CD PRO C 25 11.000 2.096 -4.704 1.00 0.00 C ATOM 0 HA PRO C 25 10.200 -0.998 -5.128 1.00 0.00 H new ATOM 0 HB2 PRO C 25 11.801 0.643 -7.068 1.00 0.00 H new ATOM 0 HB3 PRO C 25 10.133 0.127 -7.217 1.00 0.00 H new ATOM 0 HG2 PRO C 25 10.726 2.700 -6.748 1.00 0.00 H new ATOM 0 HG3 PRO C 25 9.309 1.965 -6.023 1.00 0.00 H new ATOM 0 HD2 PRO C 25 12.003 2.519 -4.757 1.00 0.00 H new ATOM 0 HD3 PRO C 25 10.405 2.764 -4.082 1.00 0.00 H new ATOM 377 N ILE C 26 12.220 -2.316 -4.819 1.00 0.00 N ATOM 378 CA ILE C 26 13.371 -3.205 -4.831 1.00 0.00 C ATOM 379 C ILE C 26 13.642 -3.644 -6.261 1.00 0.00 C ATOM 380 O ILE C 26 13.038 -4.602 -6.747 1.00 0.00 O ATOM 381 CB ILE C 26 13.143 -4.471 -3.976 1.00 0.00 C ATOM 382 CG1 ILE C 26 12.409 -4.137 -2.669 1.00 0.00 C ATOM 383 CG2 ILE C 26 14.479 -5.138 -3.680 1.00 0.00 C ATOM 384 CD1 ILE C 26 11.961 -5.364 -1.892 1.00 0.00 C ATOM 0 H ILE C 26 11.375 -2.726 -4.421 1.00 0.00 H new ATOM 0 HA ILE C 26 14.213 -2.655 -4.412 1.00 0.00 H new ATOM 0 HB ILE C 26 12.514 -5.159 -4.541 1.00 0.00 H new ATOM 0 HG12 ILE C 26 13.064 -3.537 -2.038 1.00 0.00 H new ATOM 0 HG13 ILE C 26 11.537 -3.524 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE C 26 14.314 -6.031 -3.077 1.00 0.00 H new ATOM 0 HG22 ILE C 26 14.962 -5.417 -4.617 1.00 0.00 H new ATOM 0 HG23 ILE C 26 15.119 -4.444 -3.135 1.00 0.00 H new ATOM 0 HD11 ILE C 26 11.450 -5.051 -0.981 1.00 0.00 H new ATOM 0 HD12 ILE C 26 11.280 -5.955 -2.505 1.00 0.00 H new ATOM 0 HD13 ILE C 26 12.831 -5.967 -1.631 1.00 0.00 H new ATOM 396 N LYS C 27 14.525 -2.936 -6.940 1.00 0.00 N ATOM 397 CA LYS C 27 14.767 -3.192 -8.343 1.00 0.00 C ATOM 398 C LYS C 27 15.596 -4.453 -8.536 1.00 0.00 C ATOM 399 O LYS C 27 15.146 -5.405 -9.173 1.00 0.00 O ATOM 400 CB LYS C 27 15.446 -1.988 -8.999 1.00 0.00 C ATOM 401 CG LYS C 27 15.637 -2.150 -10.498 1.00 0.00 C ATOM 402 CD LYS C 27 14.323 -2.470 -11.199 1.00 0.00 C ATOM 403 CE LYS C 27 13.273 -1.399 -10.953 1.00 0.00 C ATOM 404 NZ LYS C 27 11.948 -1.789 -11.500 1.00 0.00 N ATOM 0 H LYS C 27 15.084 -2.181 -6.542 1.00 0.00 H new ATOM 0 HA LYS C 27 13.804 -3.350 -8.829 1.00 0.00 H new ATOM 0 HB2 LYS C 27 14.850 -1.095 -8.810 1.00 0.00 H new ATOM 0 HB3 LYS C 27 16.417 -1.828 -8.531 1.00 0.00 H new ATOM 0 HG2 LYS C 27 16.058 -1.234 -10.913 1.00 0.00 H new ATOM 0 HG3 LYS C 27 16.356 -2.947 -10.690 1.00 0.00 H new ATOM 0 HD2 LYS C 27 14.498 -2.568 -12.270 1.00 0.00 H new ATOM 0 HD3 LYS C 27 13.949 -3.432 -10.848 1.00 0.00 H new ATOM 0 HE2 LYS C 27 13.184 -1.216 -9.882 1.00 0.00 H new ATOM 0 HE3 LYS C 27 13.594 -0.463 -11.411 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 11.259 -1.033 -11.312 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 12.027 -1.939 -12.526 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 11.630 -2.668 -11.045 1.00 0.00 H new ATOM 418 N ALA C 28 16.788 -4.472 -7.967 1.00 0.00 N ATOM 419 CA ALA C 28 17.696 -5.585 -8.175 1.00 0.00 C ATOM 420 C ALA C 28 18.690 -5.715 -7.035 1.00 0.00 C ATOM 421 O ALA C 28 19.069 -4.727 -6.412 1.00 0.00 O ATOM 422 CB ALA C 28 18.434 -5.425 -9.497 1.00 0.00 C ATOM 0 H ALA C 28 17.148 -3.735 -7.361 1.00 0.00 H new ATOM 0 HA ALA C 28 17.100 -6.497 -8.205 1.00 0.00 H new ATOM 0 HB1 ALA C 28 19.111 -6.267 -9.640 1.00 0.00 H new ATOM 0 HB2 ALA C 28 17.714 -5.396 -10.315 1.00 0.00 H new ATOM 0 HB3 ALA C 28 19.006 -4.497 -9.484 1.00 0.00 H new ATOM 428 N ILE C 29 19.083 -6.947 -6.763 1.00 0.00 N ATOM 429 CA ILE C 29 20.127 -7.243 -5.801 1.00 0.00 C ATOM 430 C ILE C 29 21.028 -8.324 -6.368 1.00 0.00 C ATOM 431 O ILE C 29 20.552 -9.339 -6.879 1.00 0.00 O ATOM 432 CB ILE C 29 19.544 -7.686 -4.432 1.00 0.00 C ATOM 433 CG1 ILE C 29 18.989 -6.482 -3.665 1.00 0.00 C ATOM 434 CG2 ILE C 29 20.597 -8.398 -3.592 1.00 0.00 C ATOM 435 CD1 ILE C 29 17.974 -6.855 -2.612 1.00 0.00 C ATOM 0 H ILE C 29 18.684 -7.774 -7.207 1.00 0.00 H new ATOM 0 HA ILE C 29 20.701 -6.334 -5.623 1.00 0.00 H new ATOM 0 HB ILE C 29 18.730 -8.384 -4.629 1.00 0.00 H new ATOM 0 HG12 ILE C 29 19.815 -5.951 -3.191 1.00 0.00 H new ATOM 0 HG13 ILE C 29 18.530 -5.791 -4.372 1.00 0.00 H new ATOM 0 HG21 ILE C 29 20.161 -8.697 -2.639 1.00 0.00 H new ATOM 0 HG22 ILE C 29 20.949 -9.282 -4.123 1.00 0.00 H new ATOM 0 HG23 ILE C 29 21.435 -7.725 -3.412 1.00 0.00 H new ATOM 0 HD11 ILE C 29 17.624 -5.954 -2.109 1.00 0.00 H new ATOM 0 HD12 ILE C 29 17.130 -7.359 -3.083 1.00 0.00 H new ATOM 0 HD13 ILE C 29 18.434 -7.522 -1.883 1.00 0.00 H new ATOM 447 N LYS C 30 22.323 -8.089 -6.296 1.00 0.00 N ATOM 448 CA LYS C 30 23.296 -8.985 -6.901 1.00 0.00 C ATOM 449 C LYS C 30 24.312 -9.457 -5.872 1.00 0.00 C ATOM 450 O LYS C 30 25.132 -8.675 -5.391 1.00 0.00 O ATOM 451 CB LYS C 30 24.025 -8.295 -8.062 1.00 0.00 C ATOM 452 CG LYS C 30 23.118 -7.851 -9.206 1.00 0.00 C ATOM 453 CD LYS C 30 22.388 -9.022 -9.856 1.00 0.00 C ATOM 454 CE LYS C 30 23.352 -10.041 -10.453 1.00 0.00 C ATOM 455 NZ LYS C 30 24.257 -9.437 -11.468 1.00 0.00 N ATOM 0 H LYS C 30 22.730 -7.282 -5.823 1.00 0.00 H new ATOM 0 HA LYS C 30 22.754 -9.849 -7.285 1.00 0.00 H new ATOM 0 HB2 LYS C 30 24.554 -7.424 -7.675 1.00 0.00 H new ATOM 0 HB3 LYS C 30 24.779 -8.976 -8.457 1.00 0.00 H new ATOM 0 HG2 LYS C 30 22.388 -7.134 -8.830 1.00 0.00 H new ATOM 0 HG3 LYS C 30 23.713 -7.334 -9.959 1.00 0.00 H new ATOM 0 HD2 LYS C 30 21.758 -9.512 -9.114 1.00 0.00 H new ATOM 0 HD3 LYS C 30 21.728 -8.647 -10.638 1.00 0.00 H new ATOM 0 HE2 LYS C 30 23.949 -10.484 -9.655 1.00 0.00 H new ATOM 0 HE3 LYS C 30 22.783 -10.850 -10.912 1.00 0.00 H new ATOM 0 HZ1 LYS C 30 24.786 -10.190 -11.953 1.00 0.00 H new ATOM 0 HZ2 LYS C 30 23.694 -8.906 -12.163 1.00 0.00 H new ATOM 0 HZ3 LYS C 30 24.924 -8.792 -10.998 1.00 0.00 H new ATOM 469 N TYR C 31 24.236 -10.734 -5.532 1.00 0.00 N ATOM 470 CA TYR C 31 25.186 -11.359 -4.629 1.00 0.00 C ATOM 471 C TYR C 31 26.560 -11.421 -5.275 1.00 0.00 C ATOM 472 O TYR C 31 26.756 -12.081 -6.300 1.00 0.00 O ATOM 473 CB TYR C 31 24.710 -12.759 -4.236 1.00 0.00 C ATOM 474 CG TYR C 31 23.497 -12.749 -3.330 1.00 0.00 C ATOM 475 CD1 TYR C 31 23.642 -12.786 -1.949 1.00 0.00 C ATOM 476 CD2 TYR C 31 22.209 -12.696 -3.852 1.00 0.00 C ATOM 477 CE1 TYR C 31 22.541 -12.773 -1.113 1.00 0.00 C ATOM 478 CE2 TYR C 31 21.103 -12.682 -3.023 1.00 0.00 C ATOM 479 CZ TYR C 31 21.275 -12.721 -1.655 1.00 0.00 C ATOM 480 OH TYR C 31 20.175 -12.705 -0.824 1.00 0.00 O ATOM 0 H TYR C 31 23.513 -11.366 -5.875 1.00 0.00 H new ATOM 0 HA TYR C 31 25.256 -10.757 -3.723 1.00 0.00 H new ATOM 0 HB2 TYR C 31 24.475 -13.322 -5.139 1.00 0.00 H new ATOM 0 HB3 TYR C 31 25.524 -13.284 -3.736 1.00 0.00 H new ATOM 0 HD1 TYR C 31 24.633 -12.826 -1.521 1.00 0.00 H new ATOM 0 HD2 TYR C 31 22.071 -12.665 -4.923 1.00 0.00 H new ATOM 0 HE1 TYR C 31 22.672 -12.803 -0.041 1.00 0.00 H new ATOM 0 HE2 TYR C 31 20.109 -12.641 -3.444 1.00 0.00 H new ATOM 0 HH TYR C 31 19.358 -12.666 -1.364 1.00 0.00 H new ATOM 490 N ALA C 32 27.498 -10.707 -4.681 1.00 0.00 N ATOM 491 CA ALA C 32 28.842 -10.621 -5.198 1.00 0.00 C ATOM 492 C ALA C 32 29.691 -11.784 -4.708 1.00 0.00 C ATOM 493 O ALA C 32 29.206 -12.682 -4.017 1.00 0.00 O ATOM 494 CB ALA C 32 29.471 -9.291 -4.810 1.00 0.00 C ATOM 0 H ALA C 32 27.345 -10.172 -3.826 1.00 0.00 H new ATOM 0 HA ALA C 32 28.796 -10.679 -6.285 1.00 0.00 H new ATOM 0 HB1 ALA C 32 30.485 -9.239 -5.206 1.00 0.00 H new ATOM 0 HB2 ALA C 32 28.878 -8.474 -5.222 1.00 0.00 H new ATOM 0 HB3 ALA C 32 29.501 -9.206 -3.724 1.00 0.00 H new ATOM 500 N ASN C 33 30.962 -11.738 -5.041 1.00 0.00 N ATOM 501 CA ASN C 33 31.874 -12.848 -4.775 1.00 0.00 C ATOM 502 C ASN C 33 32.302 -12.904 -3.311 1.00 0.00 C ATOM 503 O ASN C 33 32.635 -13.973 -2.800 1.00 0.00 O ATOM 504 CB ASN C 33 33.113 -12.774 -5.682 1.00 0.00 C ATOM 505 CG ASN C 33 33.911 -11.492 -5.510 1.00 0.00 C ATOM 506 OD1 ASN C 33 34.796 -11.400 -4.656 1.00 0.00 O ATOM 507 ND2 ASN C 33 33.617 -10.498 -6.333 1.00 0.00 N ATOM 0 H ASN C 33 31.398 -10.939 -5.501 1.00 0.00 H new ATOM 0 HA ASN C 33 31.325 -13.763 -4.997 1.00 0.00 H new ATOM 0 HB2 ASN C 33 33.759 -13.626 -5.472 1.00 0.00 H new ATOM 0 HB3 ASN C 33 32.799 -12.861 -6.722 1.00 0.00 H new ATOM 0 HD21 ASN C 33 34.130 -9.618 -6.274 1.00 0.00 H new ATOM 0 HD22 ASN C 33 32.878 -10.612 -7.027 1.00 0.00 H new ATOM 514 N ASP C 34 32.287 -11.764 -2.630 1.00 0.00 N ATOM 515 CA ASP C 34 32.729 -11.714 -1.237 1.00 0.00 C ATOM 516 C ASP C 34 31.599 -12.097 -0.288 1.00 0.00 C ATOM 517 O ASP C 34 31.839 -12.482 0.856 1.00 0.00 O ATOM 518 CB ASP C 34 33.256 -10.320 -0.875 1.00 0.00 C ATOM 519 CG ASP C 34 32.151 -9.298 -0.694 1.00 0.00 C ATOM 520 OD1 ASP C 34 31.678 -8.742 -1.702 1.00 0.00 O ATOM 521 OD2 ASP C 34 31.757 -9.041 0.464 1.00 0.00 O ATOM 0 H ASP C 34 31.978 -10.870 -3.012 1.00 0.00 H new ATOM 0 HA ASP C 34 33.539 -12.435 -1.128 1.00 0.00 H new ATOM 0 HB2 ASP C 34 33.838 -10.385 0.045 1.00 0.00 H new ATOM 0 HB3 ASP C 34 33.934 -9.979 -1.658 1.00 0.00 H new ATOM 526 N GLY C 35 30.369 -11.992 -0.767 1.00 0.00 N ATOM 527 CA GLY C 35 29.224 -12.295 0.066 1.00 0.00 C ATOM 528 C GLY C 35 28.255 -11.137 0.136 1.00 0.00 C ATOM 529 O GLY C 35 27.045 -11.336 0.257 1.00 0.00 O ATOM 0 H GLY C 35 30.143 -11.702 -1.718 1.00 0.00 H new ATOM 0 HA2 GLY C 35 28.712 -13.174 -0.327 1.00 0.00 H new ATOM 0 HA3 GLY C 35 29.563 -12.546 1.071 1.00 0.00 H new ATOM 533 N SER C 36 28.791 -9.924 0.070 1.00 0.00 N ATOM 534 CA SER C 36 27.972 -8.721 0.042 1.00 0.00 C ATOM 535 C SER C 36 27.143 -8.683 -1.239 1.00 0.00 C ATOM 536 O SER C 36 27.486 -9.333 -2.230 1.00 0.00 O ATOM 537 CB SER C 36 28.861 -7.481 0.132 1.00 0.00 C ATOM 538 OG SER C 36 29.750 -7.572 1.234 1.00 0.00 O ATOM 0 H SER C 36 29.795 -9.749 0.035 1.00 0.00 H new ATOM 0 HA SER C 36 27.296 -8.732 0.897 1.00 0.00 H new ATOM 0 HB2 SER C 36 29.430 -7.369 -0.791 1.00 0.00 H new ATOM 0 HB3 SER C 36 28.240 -6.591 0.233 1.00 0.00 H new ATOM 0 HG SER C 36 30.538 -8.094 0.976 1.00 0.00 H new ATOM 544 N ALA C 37 26.054 -7.933 -1.223 1.00 0.00 N ATOM 545 CA ALA C 37 25.177 -7.873 -2.378 1.00 0.00 C ATOM 546 C ALA C 37 24.904 -6.441 -2.799 1.00 0.00 C ATOM 547 O ALA C 37 24.571 -5.592 -1.974 1.00 0.00 O ATOM 548 CB ALA C 37 23.876 -8.601 -2.090 1.00 0.00 C ATOM 0 H ALA C 37 25.759 -7.363 -0.431 1.00 0.00 H new ATOM 0 HA ALA C 37 25.683 -8.368 -3.207 1.00 0.00 H new ATOM 0 HB1 ALA C 37 23.228 -8.548 -2.965 1.00 0.00 H new ATOM 0 HB2 ALA C 37 24.087 -9.645 -1.857 1.00 0.00 H new ATOM 0 HB3 ALA C 37 23.378 -8.134 -1.241 1.00 0.00 H new ATOM 554 N ASN C 38 25.057 -6.183 -4.090 1.00 0.00 N ATOM 555 CA ASN C 38 24.796 -4.863 -4.646 1.00 0.00 C ATOM 556 C ASN C 38 23.302 -4.653 -4.788 1.00 0.00 C ATOM 557 O ASN C 38 22.610 -5.478 -5.383 1.00 0.00 O ATOM 558 CB ASN C 38 25.460 -4.697 -6.015 1.00 0.00 C ATOM 559 CG ASN C 38 26.958 -4.916 -5.989 1.00 0.00 C ATOM 560 OD1 ASN C 38 27.624 -4.652 -4.990 1.00 0.00 O ATOM 561 ND2 ASN C 38 27.501 -5.390 -7.100 1.00 0.00 N ATOM 0 H ASN C 38 25.362 -6.874 -4.775 1.00 0.00 H new ATOM 0 HA ASN C 38 25.215 -4.122 -3.965 1.00 0.00 H new ATOM 0 HB2 ASN C 38 25.010 -5.400 -6.716 1.00 0.00 H new ATOM 0 HB3 ASN C 38 25.254 -3.695 -6.391 1.00 0.00 H new ATOM 0 HD21 ASN C 38 28.507 -5.549 -7.148 1.00 0.00 H new ATOM 0 HD22 ASN C 38 26.913 -5.596 -7.907 1.00 0.00 H new ATOM 568 N ALA C 39 22.807 -3.561 -4.235 1.00 0.00 N ATOM 569 CA ALA C 39 21.392 -3.258 -4.308 1.00 0.00 C ATOM 570 C ALA C 39 21.114 -2.149 -5.306 1.00 0.00 C ATOM 571 O ALA C 39 21.983 -1.326 -5.592 1.00 0.00 O ATOM 572 CB ALA C 39 20.847 -2.900 -2.937 1.00 0.00 C ATOM 0 H ALA C 39 23.364 -2.871 -3.731 1.00 0.00 H new ATOM 0 HA ALA C 39 20.878 -4.154 -4.658 1.00 0.00 H new ATOM 0 HB1 ALA C 39 19.783 -2.676 -3.015 1.00 0.00 H new ATOM 0 HB2 ALA C 39 20.992 -3.740 -2.257 1.00 0.00 H new ATOM 0 HB3 ALA C 39 21.374 -2.027 -2.553 1.00 0.00 H new ATOM 578 N GLU C 40 19.905 -2.154 -5.845 1.00 0.00 N ATOM 579 CA GLU C 40 19.475 -1.143 -6.792 1.00 0.00 C ATOM 580 C GLU C 40 18.056 -0.683 -6.453 1.00 0.00 C ATOM 581 O GLU C 40 17.134 -1.502 -6.389 1.00 0.00 O ATOM 582 CB GLU C 40 19.532 -1.702 -8.215 1.00 0.00 C ATOM 583 CG GLU C 40 19.248 -0.669 -9.290 1.00 0.00 C ATOM 584 CD GLU C 40 19.628 -1.160 -10.668 1.00 0.00 C ATOM 585 OE1 GLU C 40 20.840 -1.281 -10.940 1.00 0.00 O ATOM 586 OE2 GLU C 40 18.723 -1.425 -11.488 1.00 0.00 O ATOM 0 H GLU C 40 19.197 -2.858 -5.637 1.00 0.00 H new ATOM 0 HA GLU C 40 20.144 -0.285 -6.729 1.00 0.00 H new ATOM 0 HB2 GLU C 40 20.519 -2.131 -8.388 1.00 0.00 H new ATOM 0 HB3 GLU C 40 18.811 -2.515 -8.305 1.00 0.00 H new ATOM 0 HG2 GLU C 40 18.188 -0.415 -9.276 1.00 0.00 H new ATOM 0 HG3 GLU C 40 19.798 0.245 -9.067 1.00 0.00 H new ATOM 593 N PHE C 41 17.884 0.613 -6.212 1.00 0.00 N ATOM 594 CA PHE C 41 16.580 1.165 -5.883 1.00 0.00 C ATOM 595 C PHE C 41 16.200 2.254 -6.884 1.00 0.00 C ATOM 596 O PHE C 41 16.955 2.516 -7.823 1.00 0.00 O ATOM 597 CB PHE C 41 16.585 1.699 -4.443 1.00 0.00 C ATOM 598 CG PHE C 41 16.393 0.622 -3.411 1.00 0.00 C ATOM 599 CD1 PHE C 41 15.121 0.291 -2.969 1.00 0.00 C ATOM 600 CD2 PHE C 41 17.477 -0.062 -2.887 1.00 0.00 C ATOM 601 CE1 PHE C 41 14.935 -0.701 -2.026 1.00 0.00 C ATOM 602 CE2 PHE C 41 17.298 -1.054 -1.942 1.00 0.00 C ATOM 603 CZ PHE C 41 16.025 -1.374 -1.511 1.00 0.00 C ATOM 0 H PHE C 41 18.637 1.301 -6.239 1.00 0.00 H new ATOM 0 HA PHE C 41 15.828 0.379 -5.947 1.00 0.00 H new ATOM 0 HB2 PHE C 41 17.530 2.209 -4.255 1.00 0.00 H new ATOM 0 HB3 PHE C 41 15.795 2.442 -4.335 1.00 0.00 H new ATOM 0 HD1 PHE C 41 14.265 0.815 -3.367 1.00 0.00 H new ATOM 0 HD2 PHE C 41 18.474 0.183 -3.221 1.00 0.00 H new ATOM 0 HE1 PHE C 41 13.939 -0.950 -1.692 1.00 0.00 H new ATOM 0 HE2 PHE C 41 18.152 -1.579 -1.541 1.00 0.00 H new ATOM 0 HZ PHE C 41 15.883 -2.149 -0.773 1.00 0.00 H new ATOM 613 N ASP C 42 15.031 2.869 -6.706 1.00 0.00 N ATOM 614 CA ASP C 42 14.533 3.871 -7.650 1.00 0.00 C ATOM 615 C ASP C 42 15.524 5.014 -7.844 1.00 0.00 C ATOM 616 O ASP C 42 15.733 5.479 -8.966 1.00 0.00 O ATOM 617 CB ASP C 42 13.167 4.418 -7.194 1.00 0.00 C ATOM 618 CG ASP C 42 13.270 5.368 -6.016 1.00 0.00 C ATOM 619 OD1 ASP C 42 13.587 4.908 -4.900 1.00 0.00 O ATOM 620 OD2 ASP C 42 13.024 6.579 -6.205 1.00 0.00 O ATOM 0 H ASP C 42 14.410 2.691 -5.916 1.00 0.00 H new ATOM 0 HA ASP C 42 14.411 3.374 -8.612 1.00 0.00 H new ATOM 0 HB2 ASP C 42 12.692 4.934 -8.029 1.00 0.00 H new ATOM 0 HB3 ASP C 42 12.520 3.583 -6.925 1.00 0.00 H new ATOM 625 N GLY C 43 16.153 5.440 -6.770 1.00 0.00 N ATOM 626 CA GLY C 43 17.104 6.530 -6.866 1.00 0.00 C ATOM 627 C GLY C 43 17.746 6.899 -5.540 1.00 0.00 C ATOM 628 O GLY C 43 18.917 6.593 -5.314 1.00 0.00 O ATOM 0 H GLY C 43 16.027 5.057 -5.833 1.00 0.00 H new ATOM 0 HA2 GLY C 43 17.886 6.257 -7.575 1.00 0.00 H new ATOM 0 HA3 GLY C 43 16.599 7.407 -7.271 1.00 0.00 H new ATOM 632 N PRO C 44 17.002 7.553 -4.633 1.00 0.00 N ATOM 633 CA PRO C 44 17.558 8.088 -3.381 1.00 0.00 C ATOM 634 C PRO C 44 17.896 7.014 -2.343 1.00 0.00 C ATOM 635 O PRO C 44 18.124 7.326 -1.172 1.00 0.00 O ATOM 636 CB PRO C 44 16.439 8.993 -2.864 1.00 0.00 C ATOM 637 CG PRO C 44 15.188 8.414 -3.424 1.00 0.00 C ATOM 638 CD PRO C 44 15.559 7.840 -4.762 1.00 0.00 C ATOM 0 HA PRO C 44 18.508 8.593 -3.557 1.00 0.00 H new ATOM 0 HB2 PRO C 44 16.414 9.007 -1.774 1.00 0.00 H new ATOM 0 HB3 PRO C 44 16.580 10.023 -3.193 1.00 0.00 H new ATOM 0 HG2 PRO C 44 14.787 7.643 -2.766 1.00 0.00 H new ATOM 0 HG3 PRO C 44 14.417 9.178 -3.527 1.00 0.00 H new ATOM 0 HD2 PRO C 44 14.989 6.937 -4.982 1.00 0.00 H new ATOM 0 HD3 PRO C 44 15.362 8.546 -5.569 1.00 0.00 H new ATOM 646 N TYR C 45 17.949 5.761 -2.766 1.00 0.00 N ATOM 647 CA TYR C 45 18.258 4.669 -1.856 1.00 0.00 C ATOM 648 C TYR C 45 19.380 3.790 -2.397 1.00 0.00 C ATOM 649 O TYR C 45 19.965 4.103 -3.433 1.00 0.00 O ATOM 650 CB TYR C 45 17.003 3.852 -1.538 1.00 0.00 C ATOM 651 CG TYR C 45 16.147 4.501 -0.475 1.00 0.00 C ATOM 652 CD1 TYR C 45 16.241 4.099 0.850 1.00 0.00 C ATOM 653 CD2 TYR C 45 15.271 5.533 -0.786 1.00 0.00 C ATOM 654 CE1 TYR C 45 15.489 4.705 1.834 1.00 0.00 C ATOM 655 CE2 TYR C 45 14.511 6.144 0.194 1.00 0.00 C ATOM 656 CZ TYR C 45 14.626 5.726 1.503 1.00 0.00 C ATOM 657 OH TYR C 45 13.880 6.333 2.489 1.00 0.00 O ATOM 0 H TYR C 45 17.783 5.475 -3.731 1.00 0.00 H new ATOM 0 HA TYR C 45 18.616 5.103 -0.923 1.00 0.00 H new ATOM 0 HB2 TYR C 45 16.415 3.726 -2.447 1.00 0.00 H new ATOM 0 HB3 TYR C 45 17.296 2.856 -1.207 1.00 0.00 H new ATOM 0 HD1 TYR C 45 16.915 3.298 1.115 1.00 0.00 H new ATOM 0 HD2 TYR C 45 15.182 5.864 -1.810 1.00 0.00 H new ATOM 0 HE1 TYR C 45 15.576 4.380 2.860 1.00 0.00 H new ATOM 0 HE2 TYR C 45 13.832 6.943 -0.064 1.00 0.00 H new ATOM 0 HH TYR C 45 13.322 7.034 2.092 1.00 0.00 H new ATOM 667 N ALA C 46 19.675 2.712 -1.675 1.00 0.00 N ATOM 668 CA ALA C 46 20.846 1.866 -1.926 1.00 0.00 C ATOM 669 C ALA C 46 21.074 1.529 -3.402 1.00 0.00 C ATOM 670 O ALA C 46 20.229 0.928 -4.066 1.00 0.00 O ATOM 671 CB ALA C 46 20.741 0.579 -1.118 1.00 0.00 C ATOM 0 H ALA C 46 19.104 2.395 -0.891 1.00 0.00 H new ATOM 0 HA ALA C 46 21.709 2.452 -1.611 1.00 0.00 H new ATOM 0 HB1 ALA C 46 21.615 -0.044 -1.310 1.00 0.00 H new ATOM 0 HB2 ALA C 46 20.693 0.819 -0.056 1.00 0.00 H new ATOM 0 HB3 ALA C 46 19.840 0.039 -1.409 1.00 0.00 H new ATOM 677 N ASP C 47 22.235 1.942 -3.890 1.00 0.00 N ATOM 678 CA ASP C 47 22.745 1.525 -5.189 1.00 0.00 C ATOM 679 C ASP C 47 24.203 1.136 -5.025 1.00 0.00 C ATOM 680 O ASP C 47 25.103 1.748 -5.609 1.00 0.00 O ATOM 681 CB ASP C 47 22.599 2.631 -6.239 1.00 0.00 C ATOM 682 CG ASP C 47 21.358 2.470 -7.099 1.00 0.00 C ATOM 683 OD1 ASP C 47 20.278 2.952 -6.699 1.00 0.00 O ATOM 684 OD2 ASP C 47 21.464 1.884 -8.201 1.00 0.00 O ATOM 0 H ASP C 47 22.855 2.581 -3.392 1.00 0.00 H new ATOM 0 HA ASP C 47 22.163 0.675 -5.545 1.00 0.00 H new ATOM 0 HB2 ASP C 47 22.564 3.598 -5.738 1.00 0.00 H new ATOM 0 HB3 ASP C 47 23.481 2.635 -6.880 1.00 0.00 H new ATOM 689 N GLN C 48 24.431 0.115 -4.208 1.00 0.00 N ATOM 690 CA GLN C 48 25.765 -0.234 -3.762 1.00 0.00 C ATOM 691 C GLN C 48 25.758 -1.597 -3.099 1.00 0.00 C ATOM 692 O GLN C 48 24.698 -2.188 -2.904 1.00 0.00 O ATOM 693 CB GLN C 48 26.259 0.801 -2.761 1.00 0.00 C ATOM 694 CG GLN C 48 25.244 1.131 -1.678 1.00 0.00 C ATOM 695 CD GLN C 48 25.805 2.028 -0.596 1.00 0.00 C ATOM 696 OE1 GLN C 48 26.988 1.961 -0.262 1.00 0.00 O ATOM 697 NE2 GLN C 48 24.961 2.887 -0.054 1.00 0.00 N ATOM 0 H GLN C 48 23.696 -0.489 -3.840 1.00 0.00 H new ATOM 0 HA GLN C 48 26.426 -0.258 -4.628 1.00 0.00 H new ATOM 0 HB2 GLN C 48 27.172 0.434 -2.292 1.00 0.00 H new ATOM 0 HB3 GLN C 48 26.519 1.715 -3.294 1.00 0.00 H new ATOM 0 HG2 GLN C 48 24.380 1.616 -2.133 1.00 0.00 H new ATOM 0 HG3 GLN C 48 24.888 0.205 -1.226 1.00 0.00 H new ATOM 0 HE21 GLN C 48 23.988 2.909 -0.361 1.00 0.00 H new ATOM 0 HE22 GLN C 48 25.282 3.529 0.671 1.00 0.00 H new ATOM 706 N TYR C 49 26.936 -2.082 -2.735 1.00 0.00 N ATOM 707 CA TYR C 49 27.043 -3.339 -2.016 1.00 0.00 C ATOM 708 C TYR C 49 26.579 -3.151 -0.575 1.00 0.00 C ATOM 709 O TYR C 49 26.935 -2.171 0.078 1.00 0.00 O ATOM 710 CB TYR C 49 28.486 -3.869 -2.038 1.00 0.00 C ATOM 711 CG TYR C 49 29.459 -3.066 -1.199 1.00 0.00 C ATOM 712 CD1 TYR C 49 29.962 -1.849 -1.644 1.00 0.00 C ATOM 713 CD2 TYR C 49 29.872 -3.527 0.047 1.00 0.00 C ATOM 714 CE1 TYR C 49 30.844 -1.116 -0.874 1.00 0.00 C ATOM 715 CE2 TYR C 49 30.753 -2.799 0.821 1.00 0.00 C ATOM 716 CZ TYR C 49 31.237 -1.596 0.358 1.00 0.00 C ATOM 717 OH TYR C 49 32.115 -0.869 1.129 1.00 0.00 O ATOM 0 H TYR C 49 27.827 -1.625 -2.926 1.00 0.00 H new ATOM 0 HA TYR C 49 26.405 -4.072 -2.511 1.00 0.00 H new ATOM 0 HB2 TYR C 49 28.487 -4.901 -1.686 1.00 0.00 H new ATOM 0 HB3 TYR C 49 28.840 -3.883 -3.069 1.00 0.00 H new ATOM 0 HD1 TYR C 49 29.658 -1.470 -2.609 1.00 0.00 H new ATOM 0 HD2 TYR C 49 29.497 -4.471 0.415 1.00 0.00 H new ATOM 0 HE1 TYR C 49 31.224 -0.172 -1.235 1.00 0.00 H new ATOM 0 HE2 TYR C 49 31.062 -3.172 1.787 1.00 0.00 H new ATOM 0 HH TYR C 49 32.288 -1.347 1.967 1.00 0.00 H new ATOM 727 N MET C 50 25.756 -4.062 -0.102 1.00 0.00 N ATOM 728 CA MET C 50 25.336 -4.064 1.286 1.00 0.00 C ATOM 729 C MET C 50 25.993 -5.229 2.003 1.00 0.00 C ATOM 730 O MET C 50 26.185 -6.293 1.411 1.00 0.00 O ATOM 731 CB MET C 50 23.813 -4.169 1.391 1.00 0.00 C ATOM 732 CG MET C 50 23.075 -2.926 0.919 1.00 0.00 C ATOM 733 SD MET C 50 21.281 -3.101 0.998 1.00 0.00 S ATOM 734 CE MET C 50 21.043 -3.498 2.729 1.00 0.00 C ATOM 0 H MET C 50 25.361 -4.817 -0.662 1.00 0.00 H new ATOM 0 HA MET C 50 25.642 -3.128 1.753 1.00 0.00 H new ATOM 0 HB2 MET C 50 23.476 -5.024 0.805 1.00 0.00 H new ATOM 0 HB3 MET C 50 23.543 -4.368 2.428 1.00 0.00 H new ATOM 0 HG2 MET C 50 23.379 -2.076 1.529 1.00 0.00 H new ATOM 0 HG3 MET C 50 23.368 -2.703 -0.107 1.00 0.00 H new ATOM 0 HE1 MET C 50 20.011 -3.289 3.012 1.00 0.00 H new ATOM 0 HE2 MET C 50 21.258 -4.554 2.893 1.00 0.00 H new ATOM 0 HE3 MET C 50 21.715 -2.893 3.337 1.00 0.00 H new ATOM 744 N SER C 51 26.349 -5.015 3.264 1.00 0.00 N ATOM 745 CA SER C 51 27.009 -6.034 4.068 1.00 0.00 C ATOM 746 C SER C 51 26.196 -7.326 4.103 1.00 0.00 C ATOM 747 O SER C 51 24.975 -7.311 4.253 1.00 0.00 O ATOM 748 CB SER C 51 27.236 -5.493 5.478 1.00 0.00 C ATOM 749 OG SER C 51 26.425 -4.353 5.721 1.00 0.00 O ATOM 0 H SER C 51 26.189 -4.135 3.755 1.00 0.00 H new ATOM 0 HA SER C 51 27.971 -6.273 3.615 1.00 0.00 H new ATOM 0 HB2 SER C 51 27.009 -6.268 6.210 1.00 0.00 H new ATOM 0 HB3 SER C 51 28.286 -5.231 5.606 1.00 0.00 H new ATOM 0 HG SER C 51 26.550 -4.054 6.646 1.00 0.00 H new ATOM 755 N ALA C 52 26.907 -8.440 3.957 1.00 0.00 N ATOM 756 CA ALA C 52 26.305 -9.759 3.825 1.00 0.00 C ATOM 757 C ALA C 52 25.494 -10.147 5.047 1.00 0.00 C ATOM 758 O ALA C 52 24.474 -10.822 4.922 1.00 0.00 O ATOM 759 CB ALA C 52 27.381 -10.795 3.552 1.00 0.00 C ATOM 0 H ALA C 52 27.927 -8.451 3.927 1.00 0.00 H new ATOM 0 HA ALA C 52 25.614 -9.721 2.983 1.00 0.00 H new ATOM 0 HB1 ALA C 52 26.922 -11.779 3.455 1.00 0.00 H new ATOM 0 HB2 ALA C 52 27.901 -10.544 2.628 1.00 0.00 H new ATOM 0 HB3 ALA C 52 28.093 -10.807 4.377 1.00 0.00 H new ATOM 765 N GLN C 53 25.946 -9.730 6.224 1.00 0.00 N ATOM 766 CA GLN C 53 25.185 -9.954 7.445 1.00 0.00 C ATOM 767 C GLN C 53 23.867 -9.199 7.369 1.00 0.00 C ATOM 768 O GLN C 53 22.820 -9.685 7.803 1.00 0.00 O ATOM 769 CB GLN C 53 25.975 -9.494 8.672 1.00 0.00 C ATOM 770 CG GLN C 53 27.231 -10.303 8.933 1.00 0.00 C ATOM 771 CD GLN C 53 27.962 -9.850 10.181 1.00 0.00 C ATOM 772 OE1 GLN C 53 27.350 -9.351 11.126 1.00 0.00 O ATOM 773 NE2 GLN C 53 29.273 -10.019 10.198 1.00 0.00 N ATOM 0 H GLN C 53 26.830 -9.238 6.358 1.00 0.00 H new ATOM 0 HA GLN C 53 24.991 -11.022 7.542 1.00 0.00 H new ATOM 0 HB2 GLN C 53 26.249 -8.447 8.544 1.00 0.00 H new ATOM 0 HB3 GLN C 53 25.330 -9.550 9.549 1.00 0.00 H new ATOM 0 HG2 GLN C 53 26.967 -11.356 9.032 1.00 0.00 H new ATOM 0 HG3 GLN C 53 27.898 -10.220 8.075 1.00 0.00 H new ATOM 0 HE21 GLN C 53 29.744 -10.436 9.395 1.00 0.00 H new ATOM 0 HE22 GLN C 53 29.814 -9.732 11.014 1.00 0.00 H new ATOM 782 N THR C 54 23.926 -8.022 6.767 1.00 0.00 N ATOM 783 CA THR C 54 22.760 -7.174 6.631 1.00 0.00 C ATOM 784 C THR C 54 21.812 -7.766 5.597 1.00 0.00 C ATOM 785 O THR C 54 20.600 -7.817 5.793 1.00 0.00 O ATOM 786 CB THR C 54 23.164 -5.749 6.205 1.00 0.00 C ATOM 787 OG1 THR C 54 24.251 -5.292 7.021 1.00 0.00 O ATOM 788 CG2 THR C 54 21.993 -4.784 6.335 1.00 0.00 C ATOM 0 H THR C 54 24.778 -7.633 6.363 1.00 0.00 H new ATOM 0 HA THR C 54 22.261 -7.118 7.598 1.00 0.00 H new ATOM 0 HB THR C 54 23.471 -5.780 5.159 1.00 0.00 H new ATOM 0 HG1 THR C 54 24.954 -4.919 6.450 1.00 0.00 H new ATOM 0 HG21 THR C 54 22.308 -3.787 6.028 1.00 0.00 H new ATOM 0 HG22 THR C 54 21.174 -5.118 5.699 1.00 0.00 H new ATOM 0 HG23 THR C 54 21.658 -4.755 7.372 1.00 0.00 H new ATOM 796 N VAL C 55 22.388 -8.269 4.514 1.00 0.00 N ATOM 797 CA VAL C 55 21.613 -8.829 3.416 1.00 0.00 C ATOM 798 C VAL C 55 21.057 -10.195 3.803 1.00 0.00 C ATOM 799 O VAL C 55 20.125 -10.701 3.190 1.00 0.00 O ATOM 800 CB VAL C 55 22.484 -8.942 2.128 1.00 0.00 C ATOM 801 CG1 VAL C 55 21.791 -9.703 0.991 1.00 0.00 C ATOM 802 CG2 VAL C 55 22.894 -7.559 1.655 1.00 0.00 C ATOM 0 H VAL C 55 23.398 -8.300 4.372 1.00 0.00 H new ATOM 0 HA VAL C 55 20.779 -8.159 3.207 1.00 0.00 H new ATOM 0 HB VAL C 55 23.366 -9.523 2.398 1.00 0.00 H new ATOM 0 HG11 VAL C 55 22.452 -9.745 0.125 1.00 0.00 H new ATOM 0 HG12 VAL C 55 21.559 -10.716 1.320 1.00 0.00 H new ATOM 0 HG13 VAL C 55 20.869 -9.190 0.719 1.00 0.00 H new ATOM 0 HG21 VAL C 55 23.502 -7.648 0.755 1.00 0.00 H new ATOM 0 HG22 VAL C 55 22.003 -6.971 1.435 1.00 0.00 H new ATOM 0 HG23 VAL C 55 23.472 -7.064 2.436 1.00 0.00 H new ATOM 812 N ALA C 56 21.617 -10.779 4.846 1.00 0.00 N ATOM 813 CA ALA C 56 21.169 -12.078 5.309 1.00 0.00 C ATOM 814 C ALA C 56 19.818 -11.962 5.986 1.00 0.00 C ATOM 815 O ALA C 56 18.975 -12.849 5.866 1.00 0.00 O ATOM 816 CB ALA C 56 22.188 -12.703 6.248 1.00 0.00 C ATOM 0 H ALA C 56 22.381 -10.375 5.387 1.00 0.00 H new ATOM 0 HA ALA C 56 21.067 -12.731 4.442 1.00 0.00 H new ATOM 0 HB1 ALA C 56 21.827 -13.676 6.581 1.00 0.00 H new ATOM 0 HB2 ALA C 56 23.137 -12.827 5.725 1.00 0.00 H new ATOM 0 HB3 ALA C 56 22.332 -12.055 7.112 1.00 0.00 H new ATOM 822 N VAL C 57 19.607 -10.859 6.683 1.00 0.00 N ATOM 823 CA VAL C 57 18.330 -10.636 7.347 1.00 0.00 C ATOM 824 C VAL C 57 17.408 -9.828 6.448 1.00 0.00 C ATOM 825 O VAL C 57 16.194 -10.025 6.441 1.00 0.00 O ATOM 826 CB VAL C 57 18.484 -9.889 8.688 1.00 0.00 C ATOM 827 CG1 VAL C 57 17.239 -10.063 9.546 1.00 0.00 C ATOM 828 CG2 VAL C 57 19.726 -10.352 9.433 1.00 0.00 C ATOM 0 H VAL C 57 20.291 -10.112 6.804 1.00 0.00 H new ATOM 0 HA VAL C 57 17.908 -11.620 7.550 1.00 0.00 H new ATOM 0 HB VAL C 57 18.603 -8.827 8.471 1.00 0.00 H new ATOM 0 HG11 VAL C 57 17.368 -9.529 10.487 1.00 0.00 H new ATOM 0 HG12 VAL C 57 16.374 -9.663 9.017 1.00 0.00 H new ATOM 0 HG13 VAL C 57 17.082 -11.122 9.749 1.00 0.00 H new ATOM 0 HG21 VAL C 57 19.809 -9.809 10.374 1.00 0.00 H new ATOM 0 HG22 VAL C 57 19.651 -11.420 9.636 1.00 0.00 H new ATOM 0 HG23 VAL C 57 20.609 -10.159 8.824 1.00 0.00 H new ATOM 838 N PHE C 58 17.997 -8.937 5.664 1.00 0.00 N ATOM 839 CA PHE C 58 17.218 -7.986 4.887 1.00 0.00 C ATOM 840 C PHE C 58 17.126 -8.373 3.418 1.00 0.00 C ATOM 841 O PHE C 58 16.828 -7.531 2.577 1.00 0.00 O ATOM 842 CB PHE C 58 17.794 -6.579 5.017 1.00 0.00 C ATOM 843 CG PHE C 58 17.585 -5.963 6.371 1.00 0.00 C ATOM 844 CD1 PHE C 58 18.578 -6.019 7.335 1.00 0.00 C ATOM 845 CD2 PHE C 58 16.391 -5.331 6.682 1.00 0.00 C ATOM 846 CE1 PHE C 58 18.386 -5.457 8.582 1.00 0.00 C ATOM 847 CE2 PHE C 58 16.194 -4.766 7.928 1.00 0.00 C ATOM 848 CZ PHE C 58 17.192 -4.830 8.879 1.00 0.00 C ATOM 0 H PHE C 58 19.007 -8.853 5.550 1.00 0.00 H new ATOM 0 HA PHE C 58 16.208 -8.002 5.297 1.00 0.00 H new ATOM 0 HB2 PHE C 58 18.862 -6.612 4.804 1.00 0.00 H new ATOM 0 HB3 PHE C 58 17.338 -5.938 4.262 1.00 0.00 H new ATOM 0 HD1 PHE C 58 19.514 -6.508 7.109 1.00 0.00 H new ATOM 0 HD2 PHE C 58 15.606 -5.280 5.942 1.00 0.00 H new ATOM 0 HE1 PHE C 58 19.169 -5.508 9.324 1.00 0.00 H new ATOM 0 HE2 PHE C 58 15.260 -4.275 8.157 1.00 0.00 H new ATOM 0 HZ PHE C 58 17.040 -4.391 9.854 1.00 0.00 H new ATOM 858 N LYS C 59 17.409 -9.631 3.101 1.00 0.00 N ATOM 859 CA LYS C 59 17.156 -10.136 1.752 1.00 0.00 C ATOM 860 C LYS C 59 15.649 -10.274 1.516 1.00 0.00 C ATOM 861 O LYS C 59 14.990 -11.118 2.127 1.00 0.00 O ATOM 862 CB LYS C 59 17.854 -11.484 1.513 1.00 0.00 C ATOM 863 CG LYS C 59 17.493 -12.572 2.517 1.00 0.00 C ATOM 864 CD LYS C 59 18.062 -13.929 2.120 1.00 0.00 C ATOM 865 CE LYS C 59 19.519 -14.103 2.540 1.00 0.00 C ATOM 866 NZ LYS C 59 20.443 -13.158 1.852 1.00 0.00 N ATOM 0 H LYS C 59 17.808 -10.313 3.746 1.00 0.00 H new ATOM 0 HA LYS C 59 17.568 -9.417 1.044 1.00 0.00 H new ATOM 0 HB2 LYS C 59 17.605 -11.835 0.512 1.00 0.00 H new ATOM 0 HB3 LYS C 59 18.933 -11.329 1.537 1.00 0.00 H new ATOM 0 HG2 LYS C 59 17.869 -12.295 3.502 1.00 0.00 H new ATOM 0 HG3 LYS C 59 16.408 -12.644 2.599 1.00 0.00 H new ATOM 0 HD2 LYS C 59 17.461 -14.717 2.574 1.00 0.00 H new ATOM 0 HD3 LYS C 59 17.983 -14.050 1.040 1.00 0.00 H new ATOM 0 HE2 LYS C 59 19.600 -13.961 3.618 1.00 0.00 H new ATOM 0 HE3 LYS C 59 19.832 -15.126 2.329 1.00 0.00 H new ATOM 0 HZ1 LYS C 59 21.384 -13.592 1.768 1.00 0.00 H new ATOM 0 HZ2 LYS C 59 20.075 -12.942 0.904 1.00 0.00 H new ATOM 0 HZ3 LYS C 59 20.515 -12.279 2.404 1.00 0.00 H new ATOM 880 N PRO C 60 15.069 -9.423 0.658 1.00 0.00 N ATOM 881 CA PRO C 60 13.659 -9.468 0.347 1.00 0.00 C ATOM 882 C PRO C 60 13.377 -10.244 -0.940 1.00 0.00 C ATOM 883 O PRO C 60 13.390 -11.474 -0.941 1.00 0.00 O ATOM 884 CB PRO C 60 13.314 -7.985 0.196 1.00 0.00 C ATOM 885 CG PRO C 60 14.601 -7.309 -0.206 1.00 0.00 C ATOM 886 CD PRO C 60 15.715 -8.324 -0.060 1.00 0.00 C ATOM 0 HA PRO C 60 13.068 -9.983 1.104 1.00 0.00 H new ATOM 0 HB2 PRO C 60 12.541 -7.837 -0.558 1.00 0.00 H new ATOM 0 HB3 PRO C 60 12.931 -7.574 1.130 1.00 0.00 H new ATOM 0 HG2 PRO C 60 14.541 -6.951 -1.234 1.00 0.00 H new ATOM 0 HG3 PRO C 60 14.790 -6.440 0.424 1.00 0.00 H new ATOM 0 HD2 PRO C 60 16.098 -8.645 -1.029 1.00 0.00 H new ATOM 0 HD3 PRO C 60 16.559 -7.919 0.498 1.00 0.00 H new ATOM 894 N GLU C 61 13.169 -9.520 -2.035 1.00 0.00 N ATOM 895 CA GLU C 61 12.879 -10.127 -3.328 1.00 0.00 C ATOM 896 C GLU C 61 13.318 -9.213 -4.457 1.00 0.00 C ATOM 897 O GLU C 61 13.196 -7.991 -4.368 1.00 0.00 O ATOM 898 CB GLU C 61 11.387 -10.437 -3.472 1.00 0.00 C ATOM 899 CG GLU C 61 10.965 -11.721 -2.783 1.00 0.00 C ATOM 900 CD GLU C 61 11.524 -12.959 -3.453 1.00 0.00 C ATOM 901 OE1 GLU C 61 12.617 -13.417 -3.057 1.00 0.00 O ATOM 902 OE2 GLU C 61 10.871 -13.481 -4.380 1.00 0.00 O ATOM 0 H GLU C 61 13.197 -8.500 -2.051 1.00 0.00 H new ATOM 0 HA GLU C 61 13.436 -11.062 -3.384 1.00 0.00 H new ATOM 0 HB2 GLU C 61 10.811 -9.608 -3.062 1.00 0.00 H new ATOM 0 HB3 GLU C 61 11.139 -10.504 -4.531 1.00 0.00 H new ATOM 0 HG2 GLU C 61 11.295 -11.696 -1.744 1.00 0.00 H new ATOM 0 HG3 GLU C 61 9.877 -11.780 -2.771 1.00 0.00 H new ATOM 909 N VAL C 62 13.815 -9.819 -5.517 1.00 0.00 N ATOM 910 CA VAL C 62 14.289 -9.087 -6.673 1.00 0.00 C ATOM 911 C VAL C 62 13.121 -8.726 -7.576 1.00 0.00 C ATOM 912 O VAL C 62 12.499 -9.595 -8.190 1.00 0.00 O ATOM 913 CB VAL C 62 15.330 -9.902 -7.473 1.00 0.00 C ATOM 914 CG1 VAL C 62 15.810 -9.128 -8.691 1.00 0.00 C ATOM 915 CG2 VAL C 62 16.507 -10.283 -6.588 1.00 0.00 C ATOM 0 H VAL C 62 13.901 -10.832 -5.600 1.00 0.00 H new ATOM 0 HA VAL C 62 14.772 -8.178 -6.315 1.00 0.00 H new ATOM 0 HB VAL C 62 14.847 -10.815 -7.820 1.00 0.00 H new ATOM 0 HG11 VAL C 62 16.542 -9.724 -9.236 1.00 0.00 H new ATOM 0 HG12 VAL C 62 14.963 -8.911 -9.341 1.00 0.00 H new ATOM 0 HG13 VAL C 62 16.270 -8.193 -8.370 1.00 0.00 H new ATOM 0 HG21 VAL C 62 17.229 -10.856 -7.170 1.00 0.00 H new ATOM 0 HG22 VAL C 62 16.983 -9.380 -6.207 1.00 0.00 H new ATOM 0 HG23 VAL C 62 16.153 -10.887 -5.752 1.00 0.00 H new ATOM 925 N GLY C 63 12.814 -7.445 -7.620 1.00 0.00 N ATOM 926 CA GLY C 63 11.756 -6.960 -8.487 1.00 0.00 C ATOM 927 C GLY C 63 10.455 -6.655 -7.758 1.00 0.00 C ATOM 928 O GLY C 63 9.427 -6.430 -8.401 1.00 0.00 O ATOM 0 H GLY C 63 13.279 -6.723 -7.069 1.00 0.00 H new ATOM 0 HA2 GLY C 63 12.099 -6.057 -8.992 1.00 0.00 H new ATOM 0 HA3 GLY C 63 11.563 -7.704 -9.260 1.00 0.00 H new ATOM 932 N GLY C 64 10.483 -6.638 -6.428 1.00 0.00 N ATOM 933 CA GLY C 64 9.286 -6.346 -5.676 1.00 0.00 C ATOM 934 C GLY C 64 9.245 -4.908 -5.203 1.00 0.00 C ATOM 935 O GLY C 64 9.982 -4.056 -5.702 1.00 0.00 O ATOM 0 H GLY C 64 11.313 -6.821 -5.864 1.00 0.00 H new ATOM 0 HA2 GLY C 64 8.412 -6.548 -6.295 1.00 0.00 H new ATOM 0 HA3 GLY C 64 9.228 -7.012 -4.815 1.00 0.00 H new ATOM 939 N TYR C 65 8.381 -4.641 -4.241 1.00 0.00 N ATOM 940 CA TYR C 65 8.215 -3.301 -3.694 1.00 0.00 C ATOM 941 C TYR C 65 8.227 -3.354 -2.174 1.00 0.00 C ATOM 942 O TYR C 65 7.446 -4.087 -1.568 1.00 0.00 O ATOM 943 CB TYR C 65 6.903 -2.678 -4.182 1.00 0.00 C ATOM 944 CG TYR C 65 6.789 -2.622 -5.687 1.00 0.00 C ATOM 945 CD1 TYR C 65 6.086 -3.597 -6.382 1.00 0.00 C ATOM 946 CD2 TYR C 65 7.394 -1.603 -6.413 1.00 0.00 C ATOM 947 CE1 TYR C 65 5.988 -3.558 -7.757 1.00 0.00 C ATOM 948 CE2 TYR C 65 7.297 -1.559 -7.790 1.00 0.00 C ATOM 949 CZ TYR C 65 6.594 -2.539 -8.457 1.00 0.00 C ATOM 950 OH TYR C 65 6.498 -2.502 -9.826 1.00 0.00 O ATOM 0 H TYR C 65 7.775 -5.342 -3.816 1.00 0.00 H new ATOM 0 HA TYR C 65 9.044 -2.683 -4.039 1.00 0.00 H new ATOM 0 HB2 TYR C 65 6.066 -3.252 -3.783 1.00 0.00 H new ATOM 0 HB3 TYR C 65 6.818 -1.668 -3.781 1.00 0.00 H new ATOM 0 HD1 TYR C 65 5.609 -4.398 -5.837 1.00 0.00 H new ATOM 0 HD2 TYR C 65 7.948 -0.835 -5.893 1.00 0.00 H new ATOM 0 HE1 TYR C 65 5.438 -4.324 -8.283 1.00 0.00 H new ATOM 0 HE2 TYR C 65 7.770 -0.760 -8.342 1.00 0.00 H new ATOM 0 HH TYR C 65 6.979 -1.719 -10.167 1.00 0.00 H new ATOM 960 N LEU C 66 9.127 -2.600 -1.569 1.00 0.00 N ATOM 961 CA LEU C 66 9.233 -2.541 -0.120 1.00 0.00 C ATOM 962 C LEU C 66 8.552 -1.280 0.383 1.00 0.00 C ATOM 963 O LEU C 66 8.398 -0.316 -0.364 1.00 0.00 O ATOM 964 CB LEU C 66 10.710 -2.539 0.295 1.00 0.00 C ATOM 965 CG LEU C 66 10.990 -2.689 1.794 1.00 0.00 C ATOM 966 CD1 LEU C 66 10.833 -4.138 2.228 1.00 0.00 C ATOM 967 CD2 LEU C 66 12.381 -2.178 2.129 1.00 0.00 C ATOM 0 H LEU C 66 9.801 -2.015 -2.063 1.00 0.00 H new ATOM 0 HA LEU C 66 8.746 -3.414 0.316 1.00 0.00 H new ATOM 0 HB2 LEU C 66 11.215 -3.349 -0.231 1.00 0.00 H new ATOM 0 HB3 LEU C 66 11.161 -1.607 -0.047 1.00 0.00 H new ATOM 0 HG LEU C 66 10.262 -2.089 2.340 1.00 0.00 H new ATOM 0 HD11 LEU C 66 11.036 -4.222 3.296 1.00 0.00 H new ATOM 0 HD12 LEU C 66 9.815 -4.470 2.025 1.00 0.00 H new ATOM 0 HD13 LEU C 66 11.535 -4.762 1.675 1.00 0.00 H new ATOM 0 HD21 LEU C 66 12.563 -2.292 3.198 1.00 0.00 H new ATOM 0 HD22 LEU C 66 13.123 -2.750 1.571 1.00 0.00 H new ATOM 0 HD23 LEU C 66 12.457 -1.125 1.859 1.00 0.00 H new ATOM 979 N PHE C 67 8.130 -1.284 1.633 1.00 0.00 N ATOM 980 CA PHE C 67 7.554 -0.096 2.230 1.00 0.00 C ATOM 981 C PHE C 67 7.987 0.029 3.682 1.00 0.00 C ATOM 982 O PHE C 67 8.196 -0.978 4.363 1.00 0.00 O ATOM 983 CB PHE C 67 6.024 -0.108 2.115 1.00 0.00 C ATOM 984 CG PHE C 67 5.360 -1.351 2.645 1.00 0.00 C ATOM 985 CD1 PHE C 67 5.029 -1.461 3.986 1.00 0.00 C ATOM 986 CD2 PHE C 67 5.058 -2.402 1.795 1.00 0.00 C ATOM 987 CE1 PHE C 67 4.411 -2.598 4.469 1.00 0.00 C ATOM 988 CE2 PHE C 67 4.442 -3.541 2.272 1.00 0.00 C ATOM 989 CZ PHE C 67 4.116 -3.639 3.611 1.00 0.00 C ATOM 0 H PHE C 67 8.175 -2.093 2.252 1.00 0.00 H new ATOM 0 HA PHE C 67 7.921 0.773 1.684 1.00 0.00 H new ATOM 0 HB2 PHE C 67 5.627 0.755 2.649 1.00 0.00 H new ATOM 0 HB3 PHE C 67 5.752 0.013 1.067 1.00 0.00 H new ATOM 0 HD1 PHE C 67 5.257 -0.649 4.661 1.00 0.00 H new ATOM 0 HD2 PHE C 67 5.308 -2.329 0.747 1.00 0.00 H new ATOM 0 HE1 PHE C 67 4.159 -2.673 5.516 1.00 0.00 H new ATOM 0 HE2 PHE C 67 4.215 -4.355 1.599 1.00 0.00 H new ATOM 0 HZ PHE C 67 3.631 -4.528 3.986 1.00 0.00 H new ATOM 999 N ARG C 68 8.138 1.260 4.151 1.00 0.00 N ATOM 1000 CA ARG C 68 8.538 1.497 5.522 1.00 0.00 C ATOM 1001 C ARG C 68 7.582 2.474 6.168 1.00 0.00 C ATOM 1002 O ARG C 68 7.483 3.628 5.751 1.00 0.00 O ATOM 1003 CB ARG C 68 9.967 2.042 5.599 1.00 0.00 C ATOM 1004 CG ARG C 68 10.432 2.286 7.027 1.00 0.00 C ATOM 1005 CD ARG C 68 11.874 2.761 7.085 1.00 0.00 C ATOM 1006 NE ARG C 68 12.341 2.892 8.465 1.00 0.00 N ATOM 1007 CZ ARG C 68 13.589 3.203 8.805 1.00 0.00 C ATOM 1008 NH1 ARG C 68 14.497 3.457 7.869 1.00 0.00 N ATOM 1009 NH2 ARG C 68 13.927 3.273 10.085 1.00 0.00 N ATOM 0 H ARG C 68 7.989 2.105 3.600 1.00 0.00 H new ATOM 0 HA ARG C 68 8.510 0.546 6.054 1.00 0.00 H new ATOM 0 HB2 ARG C 68 10.645 1.338 5.117 1.00 0.00 H new ATOM 0 HB3 ARG C 68 10.025 2.975 5.039 1.00 0.00 H new ATOM 0 HG2 ARG C 68 9.787 3.029 7.496 1.00 0.00 H new ATOM 0 HG3 ARG C 68 10.330 1.366 7.603 1.00 0.00 H new ATOM 0 HD2 ARG C 68 12.512 2.058 6.549 1.00 0.00 H new ATOM 0 HD3 ARG C 68 11.962 3.721 6.577 1.00 0.00 H new ATOM 0 HE ARG C 68 11.667 2.735 9.214 1.00 0.00 H new ATOM 0 HH11 ARG C 68 14.239 3.414 6.883 1.00 0.00 H new ATOM 0 HH12 ARG C 68 15.452 3.695 8.136 1.00 0.00 H new ATOM 0 HH21 ARG C 68 13.231 3.089 10.807 1.00 0.00 H new ATOM 0 HH22 ARG C 68 14.883 3.511 10.348 1.00 0.00 H new ATOM 1023 N SER C 69 6.865 2.007 7.169 1.00 0.00 N ATOM 1024 CA SER C 69 5.925 2.846 7.869 1.00 0.00 C ATOM 1025 C SER C 69 6.557 3.398 9.128 1.00 0.00 C ATOM 1026 O SER C 69 7.577 2.897 9.608 1.00 0.00 O ATOM 1027 CB SER C 69 4.665 2.057 8.200 1.00 0.00 C ATOM 1028 OG SER C 69 4.987 0.819 8.804 1.00 0.00 O ATOM 0 H SER C 69 6.918 1.049 7.514 1.00 0.00 H new ATOM 0 HA SER C 69 5.649 3.683 7.227 1.00 0.00 H new ATOM 0 HB2 SER C 69 4.032 2.639 8.870 1.00 0.00 H new ATOM 0 HB3 SER C 69 4.091 1.883 7.290 1.00 0.00 H new ATOM 0 HG SER C 69 4.354 0.634 9.529 1.00 0.00 H new ATOM 1034 N GLN C 70 5.924 4.422 9.666 1.00 0.00 N ATOM 1035 CA GLN C 70 6.453 5.148 10.817 1.00 0.00 C ATOM 1036 C GLN C 70 6.320 4.339 12.103 1.00 0.00 C ATOM 1037 O GLN C 70 6.721 4.789 13.176 1.00 0.00 O ATOM 1038 CB GLN C 70 5.747 6.492 10.960 1.00 0.00 C ATOM 1039 CG GLN C 70 5.974 7.419 9.776 1.00 0.00 C ATOM 1040 CD GLN C 70 5.306 8.768 9.950 1.00 0.00 C ATOM 1041 OE1 GLN C 70 4.207 8.793 10.682 1.00 0.00 O flip ATOM 1042 NE2 GLN C 70 5.783 9.782 9.440 1.00 0.00 N flip ATOM 0 H GLN C 70 5.031 4.778 9.323 1.00 0.00 H new ATOM 0 HA GLN C 70 7.516 5.318 10.644 1.00 0.00 H new ATOM 0 HB2 GLN C 70 4.677 6.322 11.079 1.00 0.00 H new ATOM 0 HB3 GLN C 70 6.095 6.983 11.869 1.00 0.00 H new ATOM 0 HG2 GLN C 70 7.045 7.565 9.634 1.00 0.00 H new ATOM 0 HG3 GLN C 70 5.594 6.945 8.871 1.00 0.00 H new ATOM 0 HE21 GLN C 70 6.634 9.720 8.881 1.00 0.00 H new ATOM 0 HE22 GLN C 70 5.327 10.684 9.576 1.00 0.00 H new ATOM 1051 N TYR C 71 5.756 3.144 11.988 1.00 0.00 N ATOM 1052 CA TYR C 71 5.675 2.223 13.113 1.00 0.00 C ATOM 1053 C TYR C 71 6.921 1.350 13.146 1.00 0.00 C ATOM 1054 O TYR C 71 7.111 0.549 14.058 1.00 0.00 O ATOM 1055 CB TYR C 71 4.428 1.342 12.997 1.00 0.00 C ATOM 1056 CG TYR C 71 3.135 2.119 12.914 1.00 0.00 C ATOM 1057 CD1 TYR C 71 2.611 2.501 11.686 1.00 0.00 C ATOM 1058 CD2 TYR C 71 2.440 2.471 14.062 1.00 0.00 C ATOM 1059 CE1 TYR C 71 1.431 3.213 11.604 1.00 0.00 C ATOM 1060 CE2 TYR C 71 1.257 3.182 13.989 1.00 0.00 C ATOM 1061 CZ TYR C 71 0.758 3.553 12.758 1.00 0.00 C ATOM 1062 OH TYR C 71 -0.417 4.264 12.681 1.00 0.00 O ATOM 0 H TYR C 71 5.347 2.789 11.124 1.00 0.00 H new ATOM 0 HA TYR C 71 5.608 2.800 14.036 1.00 0.00 H new ATOM 0 HB2 TYR C 71 4.520 0.714 12.111 1.00 0.00 H new ATOM 0 HB3 TYR C 71 4.385 0.675 13.858 1.00 0.00 H new ATOM 0 HD1 TYR C 71 3.135 2.237 10.780 1.00 0.00 H new ATOM 0 HD2 TYR C 71 2.829 2.185 15.028 1.00 0.00 H new ATOM 0 HE1 TYR C 71 1.037 3.502 10.641 1.00 0.00 H new ATOM 0 HE2 TYR C 71 0.726 3.446 14.892 1.00 0.00 H new ATOM 0 HH TYR C 71 -0.779 4.200 11.773 1.00 0.00 H new ATOM 1072 N GLY C 72 7.764 1.516 12.133 1.00 0.00 N ATOM 1073 CA GLY C 72 8.969 0.717 12.029 1.00 0.00 C ATOM 1074 C GLY C 72 8.700 -0.606 11.352 1.00 0.00 C ATOM 1075 O GLY C 72 9.429 -1.576 11.546 1.00 0.00 O ATOM 0 H GLY C 72 7.633 2.192 11.380 1.00 0.00 H new ATOM 0 HA2 GLY C 72 9.724 1.267 11.468 1.00 0.00 H new ATOM 0 HA3 GLY C 72 9.377 0.541 13.024 1.00 0.00 H new ATOM 1079 N GLU C 73 7.646 -0.644 10.552 1.00 0.00 N ATOM 1080 CA GLU C 73 7.235 -1.865 9.885 1.00 0.00 C ATOM 1081 C GLU C 73 7.720 -1.867 8.438 1.00 0.00 C ATOM 1082 O GLU C 73 7.394 -0.960 7.666 1.00 0.00 O ATOM 1083 CB GLU C 73 5.711 -1.997 9.936 1.00 0.00 C ATOM 1084 CG GLU C 73 5.198 -3.350 9.488 1.00 0.00 C ATOM 1085 CD GLU C 73 5.629 -4.463 10.418 1.00 0.00 C ATOM 1086 OE1 GLU C 73 6.802 -4.876 10.359 1.00 0.00 O ATOM 1087 OE2 GLU C 73 4.794 -4.929 11.219 1.00 0.00 O ATOM 0 H GLU C 73 7.057 0.164 10.349 1.00 0.00 H new ATOM 0 HA GLU C 73 7.681 -2.717 10.399 1.00 0.00 H new ATOM 0 HB2 GLU C 73 5.374 -1.811 10.956 1.00 0.00 H new ATOM 0 HB3 GLU C 73 5.268 -1.225 9.307 1.00 0.00 H new ATOM 0 HG2 GLU C 73 4.110 -3.324 9.435 1.00 0.00 H new ATOM 0 HG3 GLU C 73 5.561 -3.559 8.482 1.00 0.00 H new ATOM 1094 N LEU C 74 8.511 -2.873 8.088 1.00 0.00 N ATOM 1095 CA LEU C 74 9.053 -2.998 6.739 1.00 0.00 C ATOM 1096 C LEU C 74 8.728 -4.356 6.137 1.00 0.00 C ATOM 1097 O LEU C 74 9.232 -5.386 6.586 1.00 0.00 O ATOM 1098 CB LEU C 74 10.573 -2.798 6.720 1.00 0.00 C ATOM 1099 CG LEU C 74 11.049 -1.368 6.949 1.00 0.00 C ATOM 1100 CD1 LEU C 74 11.070 -1.030 8.432 1.00 0.00 C ATOM 1101 CD2 LEU C 74 12.425 -1.159 6.333 1.00 0.00 C ATOM 0 H LEU C 74 8.794 -3.619 8.723 1.00 0.00 H new ATOM 0 HA LEU C 74 8.584 -2.216 6.142 1.00 0.00 H new ATOM 0 HB2 LEU C 74 11.016 -3.437 7.484 1.00 0.00 H new ATOM 0 HB3 LEU C 74 10.955 -3.140 5.758 1.00 0.00 H new ATOM 0 HG LEU C 74 10.344 -0.695 6.460 1.00 0.00 H new ATOM 0 HD11 LEU C 74 11.413 -0.004 8.567 1.00 0.00 H new ATOM 0 HD12 LEU C 74 10.066 -1.133 8.843 1.00 0.00 H new ATOM 0 HD13 LEU C 74 11.746 -1.710 8.951 1.00 0.00 H new ATOM 0 HD21 LEU C 74 12.749 -0.133 6.506 1.00 0.00 H new ATOM 0 HD22 LEU C 74 13.137 -1.846 6.790 1.00 0.00 H new ATOM 0 HD23 LEU C 74 12.376 -1.348 5.261 1.00 0.00 H new ATOM 1113 N LEU C 75 7.889 -4.348 5.118 1.00 0.00 N ATOM 1114 CA LEU C 75 7.543 -5.566 4.386 1.00 0.00 C ATOM 1115 C LEU C 75 7.583 -5.289 2.893 1.00 0.00 C ATOM 1116 O LEU C 75 7.686 -4.134 2.476 1.00 0.00 O ATOM 1117 CB LEU C 75 6.146 -6.096 4.759 1.00 0.00 C ATOM 1118 CG LEU C 75 6.013 -6.833 6.100 1.00 0.00 C ATOM 1119 CD1 LEU C 75 7.136 -7.841 6.291 1.00 0.00 C ATOM 1120 CD2 LEU C 75 5.961 -5.854 7.257 1.00 0.00 C ATOM 0 H LEU C 75 7.428 -3.507 4.771 1.00 0.00 H new ATOM 0 HA LEU C 75 8.274 -6.327 4.659 1.00 0.00 H new ATOM 0 HB2 LEU C 75 5.455 -5.253 4.766 1.00 0.00 H new ATOM 0 HB3 LEU C 75 5.818 -6.770 3.968 1.00 0.00 H new ATOM 0 HG LEU C 75 5.072 -7.383 6.082 1.00 0.00 H new ATOM 0 HD11 LEU C 75 7.013 -8.346 7.249 1.00 0.00 H new ATOM 0 HD12 LEU C 75 7.105 -8.576 5.487 1.00 0.00 H new ATOM 0 HD13 LEU C 75 8.096 -7.324 6.274 1.00 0.00 H new ATOM 0 HD21 LEU C 75 5.867 -6.403 8.194 1.00 0.00 H new ATOM 0 HD22 LEU C 75 6.876 -5.262 7.274 1.00 0.00 H new ATOM 0 HD23 LEU C 75 5.103 -5.193 7.136 1.00 0.00 H new ATOM 1132 N TYR C 76 7.500 -6.341 2.093 1.00 0.00 N ATOM 1133 CA TYR C 76 7.483 -6.194 0.648 1.00 0.00 C ATOM 1134 C TYR C 76 6.241 -6.867 0.084 1.00 0.00 C ATOM 1135 O TYR C 76 5.701 -7.788 0.699 1.00 0.00 O ATOM 1136 CB TYR C 76 8.740 -6.818 0.013 1.00 0.00 C ATOM 1137 CG TYR C 76 8.614 -8.306 -0.262 1.00 0.00 C ATOM 1138 CD1 TYR C 76 8.069 -8.761 -1.459 1.00 0.00 C ATOM 1139 CD2 TYR C 76 9.015 -9.249 0.676 1.00 0.00 C ATOM 1140 CE1 TYR C 76 7.923 -10.107 -1.714 1.00 0.00 C ATOM 1141 CE2 TYR C 76 8.879 -10.603 0.425 1.00 0.00 C ATOM 1142 CZ TYR C 76 8.330 -11.027 -0.769 1.00 0.00 C ATOM 1143 OH TYR C 76 8.188 -12.375 -1.016 1.00 0.00 O ATOM 0 H TYR C 76 7.443 -7.305 2.421 1.00 0.00 H new ATOM 0 HA TYR C 76 7.470 -5.130 0.411 1.00 0.00 H new ATOM 0 HB2 TYR C 76 8.957 -6.302 -0.922 1.00 0.00 H new ATOM 0 HB3 TYR C 76 9.591 -6.651 0.674 1.00 0.00 H new ATOM 0 HD1 TYR C 76 7.754 -8.044 -2.203 1.00 0.00 H new ATOM 0 HD2 TYR C 76 9.439 -8.921 1.614 1.00 0.00 H new ATOM 0 HE1 TYR C 76 7.493 -10.440 -2.647 1.00 0.00 H new ATOM 0 HE2 TYR C 76 9.201 -11.326 1.160 1.00 0.00 H new ATOM 0 HH TYR C 76 8.524 -12.885 -0.250 1.00 0.00 H new ATOM 1153 N MET C 77 5.798 -6.408 -1.077 1.00 0.00 N ATOM 1154 CA MET C 77 4.732 -7.069 -1.821 1.00 0.00 C ATOM 1155 C MET C 77 4.480 -6.339 -3.123 1.00 0.00 C ATOM 1156 O MET C 77 5.167 -5.369 -3.442 1.00 0.00 O ATOM 1157 CB MET C 77 3.431 -7.125 -1.011 1.00 0.00 C ATOM 1158 CG MET C 77 2.829 -5.763 -0.715 1.00 0.00 C ATOM 1159 SD MET C 77 1.365 -5.875 0.327 1.00 0.00 S ATOM 1160 CE MET C 77 2.053 -6.712 1.753 1.00 0.00 C ATOM 0 H MET C 77 6.164 -5.571 -1.530 1.00 0.00 H new ATOM 0 HA MET C 77 5.054 -8.090 -2.024 1.00 0.00 H new ATOM 0 HB2 MET C 77 2.701 -7.723 -1.557 1.00 0.00 H new ATOM 0 HB3 MET C 77 3.623 -7.638 -0.069 1.00 0.00 H new ATOM 0 HG2 MET C 77 3.575 -5.138 -0.224 1.00 0.00 H new ATOM 0 HG3 MET C 77 2.568 -5.272 -1.653 1.00 0.00 H new ATOM 0 HE1 MET C 77 1.426 -6.522 2.624 1.00 0.00 H new ATOM 0 HE2 MET C 77 2.092 -7.784 1.562 1.00 0.00 H new ATOM 0 HE3 MET C 77 3.060 -6.340 1.943 1.00 0.00 H new ATOM 1170 N SER C 78 3.516 -6.828 -3.879 1.00 0.00 N ATOM 1171 CA SER C 78 3.024 -6.110 -5.038 1.00 0.00 C ATOM 1172 C SER C 78 2.305 -4.844 -4.578 1.00 0.00 C ATOM 1173 O SER C 78 1.402 -4.896 -3.737 1.00 0.00 O ATOM 1174 CB SER C 78 2.087 -7.013 -5.845 1.00 0.00 C ATOM 1175 OG SER C 78 1.168 -7.682 -4.995 1.00 0.00 O ATOM 0 H SER C 78 3.057 -7.723 -3.710 1.00 0.00 H new ATOM 0 HA SER C 78 3.856 -5.823 -5.681 1.00 0.00 H new ATOM 0 HB2 SER C 78 1.543 -6.416 -6.577 1.00 0.00 H new ATOM 0 HB3 SER C 78 2.672 -7.745 -6.402 1.00 0.00 H new ATOM 0 HG SER C 78 0.961 -7.113 -4.225 1.00 0.00 H new ATOM 1181 N LYS C 79 2.725 -3.702 -5.116 1.00 0.00 N ATOM 1182 CA LYS C 79 2.198 -2.416 -4.677 1.00 0.00 C ATOM 1183 C LYS C 79 0.724 -2.285 -5.027 1.00 0.00 C ATOM 1184 O LYS C 79 -0.005 -1.533 -4.386 1.00 0.00 O ATOM 1185 CB LYS C 79 2.991 -1.252 -5.281 1.00 0.00 C ATOM 1186 CG LYS C 79 2.953 -1.172 -6.800 1.00 0.00 C ATOM 1187 CD LYS C 79 3.664 0.075 -7.303 1.00 0.00 C ATOM 1188 CE LYS C 79 3.574 0.207 -8.817 1.00 0.00 C ATOM 1189 NZ LYS C 79 2.170 0.340 -9.288 1.00 0.00 N ATOM 0 H LYS C 79 3.426 -3.642 -5.854 1.00 0.00 H new ATOM 0 HA LYS C 79 2.304 -2.373 -3.593 1.00 0.00 H new ATOM 0 HB2 LYS C 79 2.605 -0.318 -4.873 1.00 0.00 H new ATOM 0 HB3 LYS C 79 4.030 -1.335 -4.962 1.00 0.00 H new ATOM 0 HG2 LYS C 79 3.423 -2.059 -7.225 1.00 0.00 H new ATOM 0 HG3 LYS C 79 1.918 -1.166 -7.141 1.00 0.00 H new ATOM 0 HD2 LYS C 79 3.226 0.957 -6.835 1.00 0.00 H new ATOM 0 HD3 LYS C 79 4.711 0.042 -7.003 1.00 0.00 H new ATOM 0 HE2 LYS C 79 4.147 1.077 -9.139 1.00 0.00 H new ATOM 0 HE3 LYS C 79 4.031 -0.666 -9.284 1.00 0.00 H new ATOM 0 HZ1 LYS C 79 2.165 0.661 -10.277 1.00 0.00 H new ATOM 0 HZ2 LYS C 79 1.692 -0.581 -9.221 1.00 0.00 H new ATOM 0 HZ3 LYS C 79 1.670 1.033 -8.696 1.00 0.00 H new ATOM 1203 N THR C 80 0.296 -3.039 -6.028 1.00 0.00 N ATOM 1204 CA THR C 80 -1.093 -3.054 -6.449 1.00 0.00 C ATOM 1205 C THR C 80 -2.007 -3.493 -5.307 1.00 0.00 C ATOM 1206 O THR C 80 -3.086 -2.928 -5.102 1.00 0.00 O ATOM 1207 CB THR C 80 -1.265 -4.004 -7.644 1.00 0.00 C ATOM 1208 OG1 THR C 80 -0.526 -5.210 -7.404 1.00 0.00 O ATOM 1209 CG2 THR C 80 -0.785 -3.352 -8.932 1.00 0.00 C ATOM 0 H THR C 80 0.902 -3.656 -6.569 1.00 0.00 H new ATOM 0 HA THR C 80 -1.372 -2.042 -6.743 1.00 0.00 H new ATOM 0 HB THR C 80 -2.324 -4.236 -7.755 1.00 0.00 H new ATOM 0 HG1 THR C 80 -0.636 -5.818 -8.165 1.00 0.00 H new ATOM 0 HG21 THR C 80 -0.918 -4.046 -9.762 1.00 0.00 H new ATOM 0 HG22 THR C 80 -1.363 -2.447 -9.119 1.00 0.00 H new ATOM 0 HG23 THR C 80 0.270 -3.096 -8.839 1.00 0.00 H new ATOM 1217 N ALA C 81 -1.558 -4.490 -4.555 1.00 0.00 N ATOM 1218 CA ALA C 81 -2.335 -5.032 -3.454 1.00 0.00 C ATOM 1219 C ALA C 81 -2.365 -4.066 -2.277 1.00 0.00 C ATOM 1220 O ALA C 81 -3.424 -3.782 -1.714 1.00 0.00 O ATOM 1221 CB ALA C 81 -1.761 -6.374 -3.024 1.00 0.00 C ATOM 0 H ALA C 81 -0.653 -4.940 -4.691 1.00 0.00 H new ATOM 0 HA ALA C 81 -3.360 -5.176 -3.796 1.00 0.00 H new ATOM 0 HB1 ALA C 81 -2.349 -6.774 -2.198 1.00 0.00 H new ATOM 0 HB2 ALA C 81 -1.794 -7.069 -3.863 1.00 0.00 H new ATOM 0 HB3 ALA C 81 -0.728 -6.242 -2.703 1.00 0.00 H new ATOM 1227 N PHE C 82 -1.199 -3.542 -1.923 1.00 0.00 N ATOM 1228 CA PHE C 82 -1.077 -2.675 -0.760 1.00 0.00 C ATOM 1229 C PHE C 82 -1.791 -1.346 -1.002 1.00 0.00 C ATOM 1230 O PHE C 82 -2.491 -0.839 -0.130 1.00 0.00 O ATOM 1231 CB PHE C 82 0.398 -2.441 -0.426 1.00 0.00 C ATOM 1232 CG PHE C 82 0.636 -2.062 1.010 1.00 0.00 C ATOM 1233 CD1 PHE C 82 0.634 -3.029 2.002 1.00 0.00 C ATOM 1234 CD2 PHE C 82 0.867 -0.746 1.368 1.00 0.00 C ATOM 1235 CE1 PHE C 82 0.854 -2.689 3.322 1.00 0.00 C ATOM 1236 CE2 PHE C 82 1.088 -0.400 2.687 1.00 0.00 C ATOM 1237 CZ PHE C 82 1.083 -1.372 3.664 1.00 0.00 C ATOM 0 H PHE C 82 -0.325 -3.702 -2.424 1.00 0.00 H new ATOM 0 HA PHE C 82 -1.551 -3.166 0.090 1.00 0.00 H new ATOM 0 HB2 PHE C 82 0.962 -3.346 -0.653 1.00 0.00 H new ATOM 0 HB3 PHE C 82 0.788 -1.653 -1.071 1.00 0.00 H new ATOM 0 HD1 PHE C 82 0.458 -4.062 1.740 1.00 0.00 H new ATOM 0 HD2 PHE C 82 0.875 0.020 0.607 1.00 0.00 H new ATOM 0 HE1 PHE C 82 0.847 -3.453 4.086 1.00 0.00 H new ATOM 0 HE2 PHE C 82 1.265 0.632 2.952 1.00 0.00 H new ATOM 0 HZ PHE C 82 1.258 -1.103 4.695 1.00 0.00 H new ATOM 1247 N GLU C 83 -1.631 -0.798 -2.199 1.00 0.00 N ATOM 1248 CA GLU C 83 -2.293 0.451 -2.567 1.00 0.00 C ATOM 1249 C GLU C 83 -3.815 0.301 -2.523 1.00 0.00 C ATOM 1250 O GLU C 83 -4.540 1.248 -2.222 1.00 0.00 O ATOM 1251 CB GLU C 83 -1.839 0.879 -3.966 1.00 0.00 C ATOM 1252 CG GLU C 83 -2.678 1.985 -4.580 1.00 0.00 C ATOM 1253 CD GLU C 83 -2.146 2.447 -5.915 1.00 0.00 C ATOM 1254 OE1 GLU C 83 -1.289 3.355 -5.933 1.00 0.00 O ATOM 1255 OE2 GLU C 83 -2.576 1.910 -6.957 1.00 0.00 O ATOM 0 H GLU C 83 -1.048 -1.198 -2.934 1.00 0.00 H new ATOM 0 HA GLU C 83 -2.013 1.219 -1.846 1.00 0.00 H new ATOM 0 HB2 GLU C 83 -0.802 1.211 -3.914 1.00 0.00 H new ATOM 0 HB3 GLU C 83 -1.863 0.011 -4.625 1.00 0.00 H new ATOM 0 HG2 GLU C 83 -3.702 1.633 -4.704 1.00 0.00 H new ATOM 0 HG3 GLU C 83 -2.713 2.832 -3.895 1.00 0.00 H new ATOM 1262 N ALA C 84 -4.280 -0.916 -2.741 1.00 0.00 N ATOM 1263 CA ALA C 84 -5.696 -1.173 -2.951 1.00 0.00 C ATOM 1264 C ALA C 84 -6.470 -1.075 -1.650 1.00 0.00 C ATOM 1265 O ALA C 84 -7.618 -0.638 -1.632 1.00 0.00 O ATOM 1266 CB ALA C 84 -5.896 -2.546 -3.575 1.00 0.00 C ATOM 0 H ALA C 84 -3.693 -1.749 -2.778 1.00 0.00 H new ATOM 0 HA ALA C 84 -6.078 -0.412 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA C 84 -6.960 -2.725 -3.727 1.00 0.00 H new ATOM 0 HB2 ALA C 84 -5.381 -2.588 -4.535 1.00 0.00 H new ATOM 0 HB3 ALA C 84 -5.490 -3.310 -2.912 1.00 0.00 H new ATOM 1272 N ASN C 85 -5.841 -1.480 -0.562 1.00 0.00 N ATOM 1273 CA ASN C 85 -6.511 -1.481 0.727 1.00 0.00 C ATOM 1274 C ASN C 85 -6.170 -0.235 1.528 1.00 0.00 C ATOM 1275 O ASN C 85 -7.004 0.269 2.282 1.00 0.00 O ATOM 1276 CB ASN C 85 -6.136 -2.726 1.540 1.00 0.00 C ATOM 1277 CG ASN C 85 -6.772 -4.009 1.026 1.00 0.00 C ATOM 1278 OD1 ASN C 85 -7.003 -4.092 -0.274 1.00 0.00 O flip ATOM 1279 ND2 ASN C 85 -7.051 -4.923 1.800 1.00 0.00 N flip ATOM 0 H ASN C 85 -4.876 -1.810 -0.543 1.00 0.00 H new ATOM 0 HA ASN C 85 -7.583 -1.491 0.531 1.00 0.00 H new ATOM 0 HB2 ASN C 85 -5.052 -2.840 1.533 1.00 0.00 H new ATOM 0 HB3 ASN C 85 -6.433 -2.574 2.578 1.00 0.00 H new ATOM 0 HD21 ASN C 85 -6.859 -4.824 2.797 1.00 0.00 H new ATOM 0 HD22 ASN C 85 -7.475 -5.780 1.445 1.00 0.00 H new ATOM 1286 N TYR C 86 -4.949 0.265 1.372 1.00 0.00 N ATOM 1287 CA TYR C 86 -4.459 1.310 2.270 1.00 0.00 C ATOM 1288 C TYR C 86 -4.754 2.718 1.765 1.00 0.00 C ATOM 1289 O TYR C 86 -5.411 3.500 2.452 1.00 0.00 O ATOM 1290 CB TYR C 86 -2.970 1.098 2.533 1.00 0.00 C ATOM 1291 CG TYR C 86 -2.728 -0.190 3.277 1.00 0.00 C ATOM 1292 CD1 TYR C 86 -2.325 -0.204 4.605 1.00 0.00 C ATOM 1293 CD2 TYR C 86 -2.953 -1.399 2.650 1.00 0.00 C ATOM 1294 CE1 TYR C 86 -2.151 -1.399 5.278 1.00 0.00 C ATOM 1295 CE2 TYR C 86 -2.781 -2.587 3.299 1.00 0.00 C ATOM 1296 CZ TYR C 86 -2.381 -2.592 4.619 1.00 0.00 C ATOM 1297 OH TYR C 86 -2.215 -3.788 5.282 1.00 0.00 O ATOM 0 H TYR C 86 -4.291 -0.027 0.649 1.00 0.00 H new ATOM 0 HA TYR C 86 -5.003 1.225 3.211 1.00 0.00 H new ATOM 0 HB2 TYR C 86 -2.429 1.082 1.587 1.00 0.00 H new ATOM 0 HB3 TYR C 86 -2.577 1.935 3.111 1.00 0.00 H new ATOM 0 HD1 TYR C 86 -2.145 0.729 5.118 1.00 0.00 H new ATOM 0 HD2 TYR C 86 -3.274 -1.405 1.619 1.00 0.00 H new ATOM 0 HE1 TYR C 86 -1.838 -1.400 6.312 1.00 0.00 H new ATOM 0 HE2 TYR C 86 -2.957 -3.519 2.782 1.00 0.00 H new ATOM 0 HH TYR C 86 -2.418 -4.530 4.675 1.00 0.00 H new ATOM 1307 N THR C 87 -4.292 3.041 0.575 1.00 0.00 N ATOM 1308 CA THR C 87 -4.545 4.357 0.005 1.00 0.00 C ATOM 1309 C THR C 87 -5.901 4.416 -0.691 1.00 0.00 C ATOM 1310 O THR C 87 -6.604 5.425 -0.610 1.00 0.00 O ATOM 1311 CB THR C 87 -3.451 4.729 -1.011 1.00 0.00 C ATOM 1312 OG1 THR C 87 -3.520 3.878 -2.160 1.00 0.00 O ATOM 1313 CG2 THR C 87 -2.088 4.575 -0.386 1.00 0.00 C ATOM 0 H THR C 87 -3.742 2.418 -0.017 1.00 0.00 H new ATOM 0 HA THR C 87 -4.540 5.067 0.832 1.00 0.00 H new ATOM 0 HB THR C 87 -3.611 5.764 -1.311 1.00 0.00 H new ATOM 0 HG1 THR C 87 -3.959 3.036 -1.918 1.00 0.00 H new ATOM 0 HG21 THR C 87 -1.322 4.841 -1.114 1.00 0.00 H new ATOM 0 HG22 THR C 87 -2.009 5.232 0.480 1.00 0.00 H new ATOM 0 HG23 THR C 87 -1.947 3.541 -0.072 1.00 0.00 H new