USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=23 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 78 SER OG : rot 180:sc= 0.0432 USER MOD Set 1.2: C 80 THR OG1 : rot -82:sc= -0.0608 USER MOD Set 2.1: C 51 SER OG : rot 180:sc= 1.24 USER MOD Set 2.2: C 54 THR OG1 : rot 104:sc= 1.18 USER MOD Set 3.1: C 22 SER OG : rot 110:sc= 0.674 USER MOD Set 3.2: C 45 TYR OH : rot -148:sc= 0.756 USER MOD Single : C 13 TYR OH : rot 180:sc= 0 USER MOD Single : C 14 LYS NZ :NH3+ -157:sc= 1.08 (180deg=0.401) USER MOD Single : C 20 TYR OH : rot 180:sc= 0 USER MOD Single : C 27 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.035) USER MOD Single : C 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 31 TYR OH : rot 180:sc= 0 USER MOD Single : C 33 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.71) USER MOD Single : C 36 SER OG : rot 74:sc= 1.2 USER MOD Single : C 38 ASN :FLIP amide:sc= 1.07 F(o=-0.42,f=1.1) USER MOD Single : C 48 GLN : amide:sc= -0.643 X(o=-0.64,f=-0.45) USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 50 MET CE :methyl 161:sc= -0.158 (180deg=-1.1) USER MOD Single : C 53 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.6) USER MOD Single : C 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 65 TYR OH : rot 180:sc= 0 USER MOD Single : C 69 SER OG : rot 2:sc= 0.142 USER MOD Single : C 70 GLN : amide:sc= -1.43 K(o=-1.4,f=-2.5) USER MOD Single : C 71 TYR OH : rot 180:sc= 0 USER MOD Single : C 76 TYR OH : rot 180:sc= 0 USER MOD Single : C 77 MET CE :methyl 150:sc= -0.0299 (180deg=-0.897) USER MOD Single : C 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 85 ASN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : C 86 TYR OH : rot 15:sc= -0.654 USER MOD Single : C 87 THR OG1 : rot 6:sc= 0.976 USER MOD ----------------------------------------------------------------- ATOM 167 N LEU C 12 4.315 9.532 -2.038 1.00 0.00 N ATOM 168 CA LEU C 12 4.511 8.771 -0.814 1.00 0.00 C ATOM 169 C LEU C 12 3.311 7.870 -0.565 1.00 0.00 C ATOM 170 O LEU C 12 2.231 8.088 -1.121 1.00 0.00 O ATOM 171 CB LEU C 12 4.764 9.704 0.374 1.00 0.00 C ATOM 172 CG LEU C 12 6.226 9.783 0.847 1.00 0.00 C ATOM 173 CD1 LEU C 12 6.612 8.525 1.609 1.00 0.00 C ATOM 174 CD2 LEU C 12 7.172 9.979 -0.331 1.00 0.00 C ATOM 0 HA LEU C 12 5.394 8.142 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU C 12 4.432 10.707 0.105 1.00 0.00 H new ATOM 0 HB3 LEU C 12 4.146 9.377 1.210 1.00 0.00 H new ATOM 0 HG LEU C 12 6.312 10.643 1.511 1.00 0.00 H new ATOM 0 HD11 LEU C 12 7.649 8.601 1.935 1.00 0.00 H new ATOM 0 HD12 LEU C 12 5.965 8.414 2.480 1.00 0.00 H new ATOM 0 HD13 LEU C 12 6.498 7.657 0.960 1.00 0.00 H new ATOM 0 HD21 LEU C 12 8.199 10.032 0.032 1.00 0.00 H new ATOM 0 HD22 LEU C 12 7.073 9.141 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU C 12 6.922 10.905 -0.848 1.00 0.00 H new ATOM 186 N TYR C 13 3.499 6.862 0.269 1.00 0.00 N ATOM 187 CA TYR C 13 2.549 5.769 0.366 1.00 0.00 C ATOM 188 C TYR C 13 2.082 5.560 1.812 1.00 0.00 C ATOM 189 O TYR C 13 2.795 5.927 2.747 1.00 0.00 O ATOM 190 CB TYR C 13 3.209 4.523 -0.214 1.00 0.00 C ATOM 191 CG TYR C 13 3.589 4.675 -1.677 1.00 0.00 C ATOM 192 CD1 TYR C 13 2.640 4.526 -2.682 1.00 0.00 C ATOM 193 CD2 TYR C 13 4.894 4.961 -2.052 1.00 0.00 C ATOM 194 CE1 TYR C 13 2.981 4.657 -4.014 1.00 0.00 C ATOM 195 CE2 TYR C 13 5.243 5.094 -3.384 1.00 0.00 C ATOM 196 CZ TYR C 13 4.283 4.941 -4.360 1.00 0.00 C ATOM 197 OH TYR C 13 4.627 5.068 -5.688 1.00 0.00 O ATOM 0 H TYR C 13 4.304 6.778 0.890 1.00 0.00 H new ATOM 0 HA TYR C 13 1.649 5.999 -0.204 1.00 0.00 H new ATOM 0 HB2 TYR C 13 4.103 4.290 0.365 1.00 0.00 H new ATOM 0 HB3 TYR C 13 2.530 3.677 -0.107 1.00 0.00 H new ATOM 0 HD1 TYR C 13 1.617 4.304 -2.416 1.00 0.00 H new ATOM 0 HD2 TYR C 13 5.650 5.082 -1.291 1.00 0.00 H new ATOM 0 HE1 TYR C 13 2.230 4.537 -4.781 1.00 0.00 H new ATOM 0 HE2 TYR C 13 6.264 5.317 -3.658 1.00 0.00 H new ATOM 0 HH TYR C 13 5.583 5.270 -5.760 1.00 0.00 H new ATOM 207 N LYS C 14 0.891 4.966 2.003 1.00 0.00 N ATOM 208 CA LYS C 14 0.228 4.998 3.296 1.00 0.00 C ATOM 209 C LYS C 14 -0.741 3.838 3.425 1.00 0.00 C ATOM 210 O LYS C 14 -1.185 3.275 2.432 1.00 0.00 O ATOM 211 CB LYS C 14 -0.524 6.322 3.462 1.00 0.00 C ATOM 212 CG LYS C 14 -1.154 6.827 2.171 1.00 0.00 C ATOM 213 CD LYS C 14 -2.039 8.041 2.405 1.00 0.00 C ATOM 214 CE LYS C 14 -3.460 7.636 2.761 1.00 0.00 C ATOM 215 NZ LYS C 14 -4.132 6.944 1.626 1.00 0.00 N ATOM 0 H LYS C 14 0.380 4.464 1.277 1.00 0.00 H new ATOM 0 HA LYS C 14 0.983 4.911 4.077 1.00 0.00 H new ATOM 0 HB2 LYS C 14 -1.304 6.196 4.213 1.00 0.00 H new ATOM 0 HB3 LYS C 14 0.165 7.077 3.841 1.00 0.00 H new ATOM 0 HG2 LYS C 14 -0.368 7.083 1.460 1.00 0.00 H new ATOM 0 HG3 LYS C 14 -1.745 6.030 1.720 1.00 0.00 H new ATOM 0 HD2 LYS C 14 -1.621 8.648 3.208 1.00 0.00 H new ATOM 0 HD3 LYS C 14 -2.050 8.662 1.509 1.00 0.00 H new ATOM 0 HE2 LYS C 14 -3.445 6.979 3.631 1.00 0.00 H new ATOM 0 HE3 LYS C 14 -4.033 8.521 3.039 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 -5.163 7.027 1.731 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 -3.839 7.382 0.730 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 -3.864 5.939 1.624 1.00 0.00 H new ATOM 229 N ASP C 15 -1.063 3.493 4.649 1.00 0.00 N ATOM 230 CA ASP C 15 -1.952 2.370 4.917 1.00 0.00 C ATOM 231 C ASP C 15 -3.402 2.833 5.124 1.00 0.00 C ATOM 232 O ASP C 15 -3.846 3.798 4.503 1.00 0.00 O ATOM 233 CB ASP C 15 -1.441 1.552 6.120 1.00 0.00 C ATOM 234 CG ASP C 15 -1.750 2.157 7.482 1.00 0.00 C ATOM 235 OD1 ASP C 15 -2.098 3.356 7.562 1.00 0.00 O ATOM 236 OD2 ASP C 15 -1.674 1.410 8.478 1.00 0.00 O ATOM 0 H ASP C 15 -0.725 3.972 5.484 1.00 0.00 H new ATOM 0 HA ASP C 15 -1.949 1.721 4.041 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -1.877 0.554 6.074 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -0.361 1.433 6.028 1.00 0.00 H new ATOM 241 N ALA C 16 -4.120 2.159 6.015 1.00 0.00 N ATOM 242 CA ALA C 16 -5.557 2.360 6.170 1.00 0.00 C ATOM 243 C ALA C 16 -5.887 3.628 6.964 1.00 0.00 C ATOM 244 O ALA C 16 -6.817 4.355 6.611 1.00 0.00 O ATOM 245 CB ALA C 16 -6.189 1.132 6.846 1.00 0.00 C ATOM 0 H ALA C 16 -3.726 1.462 6.647 1.00 0.00 H new ATOM 0 HA ALA C 16 -5.977 2.487 5.172 1.00 0.00 H new ATOM 0 HB1 ALA C 16 -7.262 1.290 6.958 1.00 0.00 H new ATOM 0 HB2 ALA C 16 -6.015 0.249 6.232 1.00 0.00 H new ATOM 0 HB3 ALA C 16 -5.739 0.986 7.828 1.00 0.00 H new ATOM 251 N ASP C 17 -5.139 3.909 8.028 1.00 0.00 N ATOM 252 CA ASP C 17 -5.458 5.063 8.868 1.00 0.00 C ATOM 253 C ASP C 17 -4.569 6.243 8.516 1.00 0.00 C ATOM 254 O ASP C 17 -4.888 7.391 8.828 1.00 0.00 O ATOM 255 CB ASP C 17 -5.342 4.741 10.368 1.00 0.00 C ATOM 256 CG ASP C 17 -3.913 4.623 10.867 1.00 0.00 C ATOM 257 OD1 ASP C 17 -3.379 3.500 10.878 1.00 0.00 O ATOM 258 OD2 ASP C 17 -3.330 5.650 11.283 1.00 0.00 O ATOM 0 H ASP C 17 -4.326 3.369 8.325 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.497 5.325 8.668 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.851 5.519 10.936 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -5.864 3.806 10.570 1.00 0.00 H new ATOM 263 N GLY C 18 -3.466 5.963 7.842 1.00 0.00 N ATOM 264 CA GLY C 18 -2.576 7.026 7.442 1.00 0.00 C ATOM 265 C GLY C 18 -1.159 6.798 7.908 1.00 0.00 C ATOM 266 O GLY C 18 -0.383 7.744 8.036 1.00 0.00 O ATOM 0 H GLY C 18 -3.174 5.025 7.567 1.00 0.00 H new ATOM 0 HA2 GLY C 18 -2.588 7.116 6.356 1.00 0.00 H new ATOM 0 HA3 GLY C 18 -2.940 7.971 7.845 1.00 0.00 H new ATOM 270 N VAL C 19 -0.828 5.547 8.175 1.00 0.00 N ATOM 271 CA VAL C 19 0.535 5.170 8.509 1.00 0.00 C ATOM 272 C VAL C 19 1.416 5.379 7.288 1.00 0.00 C ATOM 273 O VAL C 19 1.317 4.642 6.307 1.00 0.00 O ATOM 274 CB VAL C 19 0.605 3.694 8.973 1.00 0.00 C ATOM 275 CG1 VAL C 19 2.043 3.198 9.029 1.00 0.00 C ATOM 276 CG2 VAL C 19 -0.052 3.535 10.336 1.00 0.00 C ATOM 0 H VAL C 19 -1.489 4.770 8.167 1.00 0.00 H new ATOM 0 HA VAL C 19 0.886 5.793 9.331 1.00 0.00 H new ATOM 0 HB VAL C 19 0.065 3.091 8.243 1.00 0.00 H new ATOM 0 HG11 VAL C 19 2.057 2.159 9.358 1.00 0.00 H new ATOM 0 HG12 VAL C 19 2.492 3.271 8.038 1.00 0.00 H new ATOM 0 HG13 VAL C 19 2.611 3.808 9.731 1.00 0.00 H new ATOM 0 HG21 VAL C 19 0.005 2.492 10.648 1.00 0.00 H new ATOM 0 HG22 VAL C 19 0.464 4.161 11.064 1.00 0.00 H new ATOM 0 HG23 VAL C 19 -1.097 3.838 10.274 1.00 0.00 H new ATOM 286 N TYR C 20 2.244 6.411 7.331 1.00 0.00 N ATOM 287 CA TYR C 20 3.080 6.740 6.203 1.00 0.00 C ATOM 288 C TYR C 20 4.347 5.936 6.195 1.00 0.00 C ATOM 289 O TYR C 20 4.953 5.653 7.233 1.00 0.00 O ATOM 290 CB TYR C 20 3.411 8.221 6.153 1.00 0.00 C ATOM 291 CG TYR C 20 2.573 8.959 5.147 1.00 0.00 C ATOM 292 CD1 TYR C 20 1.604 9.872 5.533 1.00 0.00 C ATOM 293 CD2 TYR C 20 2.746 8.712 3.798 1.00 0.00 C ATOM 294 CE1 TYR C 20 0.830 10.522 4.590 1.00 0.00 C ATOM 295 CE2 TYR C 20 1.985 9.352 2.853 1.00 0.00 C ATOM 296 CZ TYR C 20 1.024 10.257 3.250 1.00 0.00 C ATOM 297 OH TYR C 20 0.255 10.901 2.305 1.00 0.00 O ATOM 0 H TYR C 20 2.350 7.029 8.135 1.00 0.00 H new ATOM 0 HA TYR C 20 2.503 6.487 5.313 1.00 0.00 H new ATOM 0 HB2 TYR C 20 3.259 8.658 7.140 1.00 0.00 H new ATOM 0 HB3 TYR C 20 4.465 8.347 5.907 1.00 0.00 H new ATOM 0 HD1 TYR C 20 1.452 10.078 6.582 1.00 0.00 H new ATOM 0 HD2 TYR C 20 3.495 8.001 3.482 1.00 0.00 H new ATOM 0 HE1 TYR C 20 0.078 11.233 4.900 1.00 0.00 H new ATOM 0 HE2 TYR C 20 2.138 9.148 1.804 1.00 0.00 H new ATOM 0 HH TYR C 20 0.519 10.602 1.410 1.00 0.00 H new ATOM 307 N VAL C 21 4.734 5.591 4.997 1.00 0.00 N ATOM 308 CA VAL C 21 5.887 4.734 4.762 1.00 0.00 C ATOM 309 C VAL C 21 6.573 5.149 3.466 1.00 0.00 C ATOM 310 O VAL C 21 5.915 5.475 2.473 1.00 0.00 O ATOM 311 CB VAL C 21 5.498 3.213 4.714 1.00 0.00 C ATOM 312 CG1 VAL C 21 4.339 2.872 5.650 1.00 0.00 C ATOM 313 CG2 VAL C 21 5.155 2.744 3.314 1.00 0.00 C ATOM 0 H VAL C 21 4.262 5.893 4.145 1.00 0.00 H new ATOM 0 HA VAL C 21 6.573 4.859 5.600 1.00 0.00 H new ATOM 0 HB VAL C 21 6.390 2.686 5.053 1.00 0.00 H new ATOM 0 HG11 VAL C 21 4.113 1.808 5.576 1.00 0.00 H new ATOM 0 HG12 VAL C 21 4.617 3.113 6.676 1.00 0.00 H new ATOM 0 HG13 VAL C 21 3.460 3.451 5.366 1.00 0.00 H new ATOM 0 HG21 VAL C 21 4.894 1.686 3.338 1.00 0.00 H new ATOM 0 HG22 VAL C 21 4.309 3.318 2.935 1.00 0.00 H new ATOM 0 HG23 VAL C 21 6.015 2.890 2.660 1.00 0.00 H new ATOM 323 N SER C 22 7.895 5.192 3.496 1.00 0.00 N ATOM 324 CA SER C 22 8.660 5.488 2.302 1.00 0.00 C ATOM 325 C SER C 22 8.795 4.221 1.485 1.00 0.00 C ATOM 326 O SER C 22 8.919 3.127 2.043 1.00 0.00 O ATOM 327 CB SER C 22 10.040 6.049 2.659 1.00 0.00 C ATOM 328 OG SER C 22 10.748 6.466 1.501 1.00 0.00 O ATOM 0 H SER C 22 8.456 5.026 4.331 1.00 0.00 H new ATOM 0 HA SER C 22 8.140 6.248 1.719 1.00 0.00 H new ATOM 0 HB2 SER C 22 9.926 6.892 3.340 1.00 0.00 H new ATOM 0 HB3 SER C 22 10.617 5.289 3.186 1.00 0.00 H new ATOM 0 HG SER C 22 10.811 7.444 1.491 1.00 0.00 H new ATOM 334 N ALA C 23 8.770 4.362 0.177 1.00 0.00 N ATOM 335 CA ALA C 23 8.794 3.210 -0.695 1.00 0.00 C ATOM 336 C ALA C 23 10.144 3.057 -1.351 1.00 0.00 C ATOM 337 O ALA C 23 10.645 3.965 -2.016 1.00 0.00 O ATOM 338 CB ALA C 23 7.706 3.294 -1.746 1.00 0.00 C ATOM 0 H ALA C 23 8.733 5.261 -0.304 1.00 0.00 H new ATOM 0 HA ALA C 23 8.606 2.330 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA C 23 7.750 2.413 -2.386 1.00 0.00 H new ATOM 0 HB2 ALA C 23 6.732 3.340 -1.259 1.00 0.00 H new ATOM 0 HB3 ALA C 23 7.852 4.189 -2.350 1.00 0.00 H new ATOM 344 N LEU C 24 10.727 1.905 -1.132 1.00 0.00 N ATOM 345 CA LEU C 24 11.980 1.534 -1.748 1.00 0.00 C ATOM 346 C LEU C 24 11.686 0.589 -2.913 1.00 0.00 C ATOM 347 O LEU C 24 11.500 -0.614 -2.715 1.00 0.00 O ATOM 348 CB LEU C 24 12.899 0.838 -0.725 1.00 0.00 C ATOM 349 CG LEU C 24 13.411 1.692 0.452 1.00 0.00 C ATOM 350 CD1 LEU C 24 14.134 2.926 -0.051 1.00 0.00 C ATOM 351 CD2 LEU C 24 12.286 2.079 1.404 1.00 0.00 C ATOM 0 H LEU C 24 10.342 1.190 -0.515 1.00 0.00 H new ATOM 0 HA LEU C 24 12.489 2.428 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU C 24 12.362 -0.017 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU C 24 13.764 0.445 -1.259 1.00 0.00 H new ATOM 0 HG LEU C 24 14.118 1.080 1.012 1.00 0.00 H new ATOM 0 HD11 LEU C 24 14.486 3.513 0.798 1.00 0.00 H new ATOM 0 HD12 LEU C 24 14.985 2.625 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU C 24 13.452 3.528 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU C 24 12.690 2.680 2.219 1.00 0.00 H new ATOM 0 HD22 LEU C 24 11.535 2.657 0.864 1.00 0.00 H new ATOM 0 HD23 LEU C 24 11.827 1.178 1.811 1.00 0.00 H new ATOM 363 N PRO C 25 11.618 1.118 -4.143 1.00 0.00 N ATOM 364 CA PRO C 25 11.294 0.327 -5.327 1.00 0.00 C ATOM 365 C PRO C 25 12.479 -0.514 -5.778 1.00 0.00 C ATOM 366 O PRO C 25 13.433 0.006 -6.360 1.00 0.00 O ATOM 367 CB PRO C 25 10.940 1.379 -6.392 1.00 0.00 C ATOM 368 CG PRO C 25 10.959 2.700 -5.687 1.00 0.00 C ATOM 369 CD PRO C 25 11.841 2.524 -4.488 1.00 0.00 C ATOM 0 HA PRO C 25 10.485 -0.379 -5.140 1.00 0.00 H new ATOM 0 HB2 PRO C 25 11.659 1.363 -7.211 1.00 0.00 H new ATOM 0 HB3 PRO C 25 9.959 1.182 -6.825 1.00 0.00 H new ATOM 0 HG2 PRO C 25 11.343 3.484 -6.340 1.00 0.00 H new ATOM 0 HG3 PRO C 25 9.953 2.997 -5.390 1.00 0.00 H new ATOM 0 HD2 PRO C 25 12.887 2.725 -4.719 1.00 0.00 H new ATOM 0 HD3 PRO C 25 11.560 3.192 -3.674 1.00 0.00 H new ATOM 377 N ILE C 26 12.417 -1.808 -5.497 1.00 0.00 N ATOM 378 CA ILE C 26 13.518 -2.708 -5.800 1.00 0.00 C ATOM 379 C ILE C 26 13.634 -2.931 -7.303 1.00 0.00 C ATOM 380 O ILE C 26 13.005 -3.833 -7.864 1.00 0.00 O ATOM 381 CB ILE C 26 13.355 -4.073 -5.093 1.00 0.00 C ATOM 382 CG1 ILE C 26 13.087 -3.869 -3.596 1.00 0.00 C ATOM 383 CG2 ILE C 26 14.603 -4.924 -5.303 1.00 0.00 C ATOM 384 CD1 ILE C 26 12.812 -5.154 -2.838 1.00 0.00 C ATOM 0 H ILE C 26 11.613 -2.258 -5.059 1.00 0.00 H new ATOM 0 HA ILE C 26 14.427 -2.234 -5.430 1.00 0.00 H new ATOM 0 HB ILE C 26 12.502 -4.595 -5.526 1.00 0.00 H new ATOM 0 HG12 ILE C 26 13.947 -3.372 -3.148 1.00 0.00 H new ATOM 0 HG13 ILE C 26 12.235 -3.200 -3.478 1.00 0.00 H new ATOM 0 HG21 ILE C 26 14.478 -5.883 -4.801 1.00 0.00 H new ATOM 0 HG22 ILE C 26 14.755 -5.090 -6.370 1.00 0.00 H new ATOM 0 HG23 ILE C 26 15.469 -4.408 -4.889 1.00 0.00 H new ATOM 0 HD11 ILE C 26 12.633 -4.925 -1.787 1.00 0.00 H new ATOM 0 HD12 ILE C 26 11.933 -5.643 -3.258 1.00 0.00 H new ATOM 0 HD13 ILE C 26 13.672 -5.818 -2.923 1.00 0.00 H new ATOM 396 N LYS C 27 14.428 -2.088 -7.948 1.00 0.00 N ATOM 397 CA LYS C 27 14.694 -2.216 -9.366 1.00 0.00 C ATOM 398 C LYS C 27 15.486 -3.491 -9.630 1.00 0.00 C ATOM 399 O LYS C 27 15.108 -4.313 -10.465 1.00 0.00 O ATOM 400 CB LYS C 27 15.464 -0.991 -9.869 1.00 0.00 C ATOM 401 CG LYS C 27 15.795 -1.048 -11.351 1.00 0.00 C ATOM 402 CD LYS C 27 14.567 -0.766 -12.203 1.00 0.00 C ATOM 403 CE LYS C 27 14.923 -0.640 -13.675 1.00 0.00 C ATOM 404 NZ LYS C 27 15.489 -1.898 -14.224 1.00 0.00 N ATOM 0 H LYS C 27 14.901 -1.302 -7.503 1.00 0.00 H new ATOM 0 HA LYS C 27 13.748 -2.274 -9.904 1.00 0.00 H new ATOM 0 HB2 LYS C 27 14.875 -0.095 -9.671 1.00 0.00 H new ATOM 0 HB3 LYS C 27 16.390 -0.896 -9.302 1.00 0.00 H new ATOM 0 HG2 LYS C 27 16.574 -0.321 -11.580 1.00 0.00 H new ATOM 0 HG3 LYS C 27 16.194 -2.031 -11.599 1.00 0.00 H new ATOM 0 HD2 LYS C 27 13.840 -1.568 -12.071 1.00 0.00 H new ATOM 0 HD3 LYS C 27 14.091 0.154 -11.863 1.00 0.00 H new ATOM 0 HE2 LYS C 27 14.032 -0.367 -14.241 1.00 0.00 H new ATOM 0 HE3 LYS C 27 15.643 0.168 -13.805 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 15.654 -1.788 -15.245 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 16.389 -2.110 -13.749 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 14.821 -2.678 -14.064 1.00 0.00 H new ATOM 418 N ALA C 28 16.578 -3.648 -8.895 1.00 0.00 N ATOM 419 CA ALA C 28 17.416 -4.832 -8.988 1.00 0.00 C ATOM 420 C ALA C 28 18.371 -4.881 -7.808 1.00 0.00 C ATOM 421 O ALA C 28 18.503 -3.905 -7.079 1.00 0.00 O ATOM 422 CB ALA C 28 18.189 -4.837 -10.298 1.00 0.00 C ATOM 0 H ALA C 28 16.906 -2.959 -8.219 1.00 0.00 H new ATOM 0 HA ALA C 28 16.780 -5.717 -8.965 1.00 0.00 H new ATOM 0 HB1 ALA C 28 18.811 -5.731 -10.350 1.00 0.00 H new ATOM 0 HB2 ALA C 28 17.489 -4.833 -11.134 1.00 0.00 H new ATOM 0 HB3 ALA C 28 18.822 -3.951 -10.350 1.00 0.00 H new ATOM 428 N ILE C 29 19.007 -6.021 -7.599 1.00 0.00 N ATOM 429 CA ILE C 29 20.028 -6.144 -6.570 1.00 0.00 C ATOM 430 C ILE C 29 21.227 -6.897 -7.114 1.00 0.00 C ATOM 431 O ILE C 29 21.088 -7.840 -7.892 1.00 0.00 O ATOM 432 CB ILE C 29 19.500 -6.857 -5.291 1.00 0.00 C ATOM 433 CG1 ILE C 29 18.403 -6.036 -4.611 1.00 0.00 C ATOM 434 CG2 ILE C 29 20.633 -7.103 -4.299 1.00 0.00 C ATOM 435 CD1 ILE C 29 17.571 -6.835 -3.630 1.00 0.00 C ATOM 0 H ILE C 29 18.835 -6.876 -8.128 1.00 0.00 H new ATOM 0 HA ILE C 29 20.319 -5.133 -6.286 1.00 0.00 H new ATOM 0 HB ILE C 29 19.082 -7.814 -5.604 1.00 0.00 H new ATOM 0 HG12 ILE C 29 18.860 -5.196 -4.088 1.00 0.00 H new ATOM 0 HG13 ILE C 29 17.747 -5.617 -5.375 1.00 0.00 H new ATOM 0 HG21 ILE C 29 20.239 -7.602 -3.414 1.00 0.00 H new ATOM 0 HG22 ILE C 29 21.393 -7.732 -4.763 1.00 0.00 H new ATOM 0 HG23 ILE C 29 21.078 -6.150 -4.011 1.00 0.00 H new ATOM 0 HD11 ILE C 29 16.813 -6.190 -3.186 1.00 0.00 H new ATOM 0 HD12 ILE C 29 17.085 -7.659 -4.152 1.00 0.00 H new ATOM 0 HD13 ILE C 29 18.215 -7.232 -2.845 1.00 0.00 H new ATOM 447 N LYS C 30 22.395 -6.451 -6.711 1.00 0.00 N ATOM 448 CA LYS C 30 23.639 -7.073 -7.124 1.00 0.00 C ATOM 449 C LYS C 30 24.187 -7.901 -5.973 1.00 0.00 C ATOM 450 O LYS C 30 24.775 -7.365 -5.031 1.00 0.00 O ATOM 451 CB LYS C 30 24.662 -6.012 -7.550 1.00 0.00 C ATOM 452 CG LYS C 30 25.820 -6.553 -8.383 1.00 0.00 C ATOM 453 CD LYS C 30 25.530 -6.500 -9.880 1.00 0.00 C ATOM 454 CE LYS C 30 24.365 -7.394 -10.277 1.00 0.00 C ATOM 455 NZ LYS C 30 24.106 -7.363 -11.738 1.00 0.00 N ATOM 0 H LYS C 30 22.513 -5.650 -6.090 1.00 0.00 H new ATOM 0 HA LYS C 30 23.448 -7.719 -7.981 1.00 0.00 H new ATOM 0 HB2 LYS C 30 24.149 -5.239 -8.122 1.00 0.00 H new ATOM 0 HB3 LYS C 30 25.065 -5.534 -6.657 1.00 0.00 H new ATOM 0 HG2 LYS C 30 26.720 -5.976 -8.169 1.00 0.00 H new ATOM 0 HG3 LYS C 30 26.025 -7.583 -8.091 1.00 0.00 H new ATOM 0 HD2 LYS C 30 25.310 -5.472 -10.169 1.00 0.00 H new ATOM 0 HD3 LYS C 30 26.421 -6.802 -10.431 1.00 0.00 H new ATOM 0 HE2 LYS C 30 24.574 -8.418 -9.969 1.00 0.00 H new ATOM 0 HE3 LYS C 30 23.468 -7.077 -9.744 1.00 0.00 H new ATOM 0 HZ1 LYS C 30 23.304 -7.987 -11.962 1.00 0.00 H new ATOM 0 HZ2 LYS C 30 23.880 -6.391 -12.030 1.00 0.00 H new ATOM 0 HZ3 LYS C 30 24.952 -7.690 -12.247 1.00 0.00 H new ATOM 469 N TYR C 31 23.955 -9.198 -6.044 1.00 0.00 N ATOM 470 CA TYR C 31 24.390 -10.123 -5.015 1.00 0.00 C ATOM 471 C TYR C 31 25.863 -10.444 -5.198 1.00 0.00 C ATOM 472 O TYR C 31 26.244 -11.163 -6.124 1.00 0.00 O ATOM 473 CB TYR C 31 23.559 -11.408 -5.068 1.00 0.00 C ATOM 474 CG TYR C 31 22.073 -11.182 -4.884 1.00 0.00 C ATOM 475 CD1 TYR C 31 21.247 -10.941 -5.975 1.00 0.00 C ATOM 476 CD2 TYR C 31 21.498 -11.210 -3.620 1.00 0.00 C ATOM 477 CE1 TYR C 31 19.890 -10.737 -5.811 1.00 0.00 C ATOM 478 CE2 TYR C 31 20.140 -11.007 -3.448 1.00 0.00 C ATOM 479 CZ TYR C 31 19.342 -10.771 -4.547 1.00 0.00 C ATOM 480 OH TYR C 31 17.990 -10.569 -4.381 1.00 0.00 O ATOM 0 H TYR C 31 23.459 -9.640 -6.818 1.00 0.00 H new ATOM 0 HA TYR C 31 24.246 -9.657 -4.040 1.00 0.00 H new ATOM 0 HB2 TYR C 31 23.727 -11.899 -6.027 1.00 0.00 H new ATOM 0 HB3 TYR C 31 23.912 -12.090 -4.295 1.00 0.00 H new ATOM 0 HD1 TYR C 31 21.672 -10.913 -6.967 1.00 0.00 H new ATOM 0 HD2 TYR C 31 22.121 -11.393 -2.757 1.00 0.00 H new ATOM 0 HE1 TYR C 31 19.262 -10.552 -6.670 1.00 0.00 H new ATOM 0 HE2 TYR C 31 19.708 -11.033 -2.459 1.00 0.00 H new ATOM 0 HH TYR C 31 17.765 -10.626 -3.429 1.00 0.00 H new ATOM 490 N ALA C 32 26.686 -9.895 -4.324 1.00 0.00 N ATOM 491 CA ALA C 32 28.109 -10.077 -4.395 1.00 0.00 C ATOM 492 C ALA C 32 28.494 -11.435 -3.843 1.00 0.00 C ATOM 493 O ALA C 32 27.699 -12.124 -3.203 1.00 0.00 O ATOM 494 CB ALA C 32 28.819 -8.966 -3.637 1.00 0.00 C ATOM 0 H ALA C 32 26.378 -9.311 -3.547 1.00 0.00 H new ATOM 0 HA ALA C 32 28.418 -10.033 -5.439 1.00 0.00 H new ATOM 0 HB1 ALA C 32 29.897 -9.115 -3.698 1.00 0.00 H new ATOM 0 HB2 ALA C 32 28.560 -8.003 -4.077 1.00 0.00 H new ATOM 0 HB3 ALA C 32 28.509 -8.983 -2.592 1.00 0.00 H new ATOM 500 N ASN C 33 29.732 -11.787 -4.083 1.00 0.00 N ATOM 501 CA ASN C 33 30.231 -13.131 -3.809 1.00 0.00 C ATOM 502 C ASN C 33 30.618 -13.320 -2.349 1.00 0.00 C ATOM 503 O ASN C 33 30.878 -14.441 -1.917 1.00 0.00 O ATOM 504 CB ASN C 33 31.422 -13.445 -4.716 1.00 0.00 C ATOM 505 CG ASN C 33 32.526 -12.426 -4.605 1.00 0.00 C ATOM 506 OD1 ASN C 33 32.506 -11.393 -5.278 1.00 0.00 O ATOM 507 ND2 ASN C 33 33.503 -12.709 -3.779 1.00 0.00 N ATOM 0 H ASN C 33 30.431 -11.156 -4.474 1.00 0.00 H new ATOM 0 HA ASN C 33 29.418 -13.826 -4.019 1.00 0.00 H new ATOM 0 HB2 ASN C 33 31.816 -14.429 -4.463 1.00 0.00 H new ATOM 0 HB3 ASN C 33 31.082 -13.494 -5.750 1.00 0.00 H new ATOM 0 HD21 ASN C 33 34.286 -12.063 -3.674 1.00 0.00 H new ATOM 0 HD22 ASN C 33 33.481 -13.575 -3.240 1.00 0.00 H new ATOM 514 N ASP C 34 30.661 -12.232 -1.591 1.00 0.00 N ATOM 515 CA ASP C 34 30.973 -12.316 -0.166 1.00 0.00 C ATOM 516 C ASP C 34 29.703 -12.562 0.636 1.00 0.00 C ATOM 517 O ASP C 34 29.754 -12.940 1.808 1.00 0.00 O ATOM 518 CB ASP C 34 31.649 -11.034 0.329 1.00 0.00 C ATOM 519 CG ASP C 34 30.689 -9.863 0.408 1.00 0.00 C ATOM 520 OD1 ASP C 34 30.316 -9.329 -0.655 1.00 0.00 O ATOM 521 OD2 ASP C 34 30.305 -9.474 1.529 1.00 0.00 O ATOM 0 H ASP C 34 30.486 -11.287 -1.933 1.00 0.00 H new ATOM 0 HA ASP C 34 31.662 -13.149 -0.024 1.00 0.00 H new ATOM 0 HB2 ASP C 34 32.081 -11.212 1.314 1.00 0.00 H new ATOM 0 HB3 ASP C 34 32.472 -10.780 -0.339 1.00 0.00 H new ATOM 526 N GLY C 35 28.563 -12.339 -0.004 1.00 0.00 N ATOM 527 CA GLY C 35 27.291 -12.523 0.658 1.00 0.00 C ATOM 528 C GLY C 35 26.491 -11.239 0.715 1.00 0.00 C ATOM 529 O GLY C 35 25.260 -11.267 0.739 1.00 0.00 O ATOM 0 H GLY C 35 28.499 -12.032 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY C 35 26.716 -13.286 0.133 1.00 0.00 H new ATOM 0 HA3 GLY C 35 27.459 -12.891 1.670 1.00 0.00 H new ATOM 533 N SER C 36 27.191 -10.113 0.739 1.00 0.00 N ATOM 534 CA SER C 36 26.546 -8.809 0.776 1.00 0.00 C ATOM 535 C SER C 36 25.908 -8.493 -0.572 1.00 0.00 C ATOM 536 O SER C 36 26.284 -9.065 -1.597 1.00 0.00 O ATOM 537 CB SER C 36 27.565 -7.734 1.144 1.00 0.00 C ATOM 538 OG SER C 36 28.247 -8.077 2.338 1.00 0.00 O ATOM 0 H SER C 36 28.210 -10.077 0.733 1.00 0.00 H new ATOM 0 HA SER C 36 25.762 -8.827 1.533 1.00 0.00 H new ATOM 0 HB2 SER C 36 28.282 -7.613 0.332 1.00 0.00 H new ATOM 0 HB3 SER C 36 27.061 -6.776 1.270 1.00 0.00 H new ATOM 0 HG SER C 36 28.889 -8.794 2.154 1.00 0.00 H new ATOM 544 N ALA C 37 24.946 -7.589 -0.574 1.00 0.00 N ATOM 545 CA ALA C 37 24.236 -7.253 -1.793 1.00 0.00 C ATOM 546 C ALA C 37 24.103 -5.747 -1.953 1.00 0.00 C ATOM 547 O ALA C 37 24.280 -4.997 -0.997 1.00 0.00 O ATOM 548 CB ALA C 37 22.869 -7.916 -1.796 1.00 0.00 C ATOM 0 H ALA C 37 24.639 -7.076 0.252 1.00 0.00 H new ATOM 0 HA ALA C 37 24.811 -7.626 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA C 37 22.342 -7.659 -2.715 1.00 0.00 H new ATOM 0 HB2 ALA C 37 22.989 -8.998 -1.737 1.00 0.00 H new ATOM 0 HB3 ALA C 37 22.294 -7.568 -0.938 1.00 0.00 H new ATOM 554 N ASN C 38 23.811 -5.311 -3.168 1.00 0.00 N ATOM 555 CA ASN C 38 23.615 -3.896 -3.452 1.00 0.00 C ATOM 556 C ASN C 38 22.271 -3.694 -4.124 1.00 0.00 C ATOM 557 O ASN C 38 21.995 -4.307 -5.151 1.00 0.00 O ATOM 558 CB ASN C 38 24.717 -3.360 -4.367 1.00 0.00 C ATOM 559 CG ASN C 38 26.111 -3.606 -3.832 1.00 0.00 C ATOM 560 OD1 ASN C 38 26.698 -4.740 -4.189 1.00 0.00 O flip ATOM 561 ND2 ASN C 38 26.659 -2.782 -3.108 1.00 0.00 N flip ATOM 0 H ASN C 38 23.704 -5.920 -3.979 1.00 0.00 H new ATOM 0 HA ASN C 38 23.650 -3.352 -2.508 1.00 0.00 H new ATOM 0 HB2 ASN C 38 24.624 -3.826 -5.348 1.00 0.00 H new ATOM 0 HB3 ASN C 38 24.573 -2.289 -4.508 1.00 0.00 H new ATOM 0 HD21 ASN C 38 26.173 -1.921 -2.856 1.00 0.00 H new ATOM 0 HD22 ASN C 38 27.601 -2.957 -2.758 1.00 0.00 H new ATOM 568 N ALA C 39 21.435 -2.849 -3.549 1.00 0.00 N ATOM 569 CA ALA C 39 20.111 -2.622 -4.099 1.00 0.00 C ATOM 570 C ALA C 39 20.123 -1.487 -5.110 1.00 0.00 C ATOM 571 O ALA C 39 20.219 -0.313 -4.751 1.00 0.00 O ATOM 572 CB ALA C 39 19.106 -2.357 -2.995 1.00 0.00 C ATOM 0 H ALA C 39 21.647 -2.312 -2.708 1.00 0.00 H new ATOM 0 HA ALA C 39 19.806 -3.528 -4.622 1.00 0.00 H new ATOM 0 HB1 ALA C 39 18.121 -2.190 -3.432 1.00 0.00 H new ATOM 0 HB2 ALA C 39 19.065 -3.217 -2.326 1.00 0.00 H new ATOM 0 HB3 ALA C 39 19.408 -1.474 -2.432 1.00 0.00 H new ATOM 578 N GLU C 40 20.012 -1.857 -6.373 1.00 0.00 N ATOM 579 CA GLU C 40 20.051 -0.910 -7.469 1.00 0.00 C ATOM 580 C GLU C 40 18.712 -0.187 -7.595 1.00 0.00 C ATOM 581 O GLU C 40 17.812 -0.659 -8.278 1.00 0.00 O ATOM 582 CB GLU C 40 20.377 -1.643 -8.774 1.00 0.00 C ATOM 583 CG GLU C 40 21.560 -2.592 -8.648 1.00 0.00 C ATOM 584 CD GLU C 40 22.023 -3.146 -9.978 1.00 0.00 C ATOM 585 OE1 GLU C 40 23.018 -2.627 -10.527 1.00 0.00 O ATOM 586 OE2 GLU C 40 21.402 -4.106 -10.484 1.00 0.00 O ATOM 0 H GLU C 40 19.892 -2.826 -6.667 1.00 0.00 H new ATOM 0 HA GLU C 40 20.827 -0.171 -7.269 1.00 0.00 H new ATOM 0 HB2 GLU C 40 19.501 -2.206 -9.096 1.00 0.00 H new ATOM 0 HB3 GLU C 40 20.589 -0.910 -9.552 1.00 0.00 H new ATOM 0 HG2 GLU C 40 22.389 -2.068 -8.171 1.00 0.00 H new ATOM 0 HG3 GLU C 40 21.286 -3.419 -7.993 1.00 0.00 H new ATOM 593 N PHE C 41 18.575 0.932 -6.899 1.00 0.00 N ATOM 594 CA PHE C 41 17.408 1.789 -7.033 1.00 0.00 C ATOM 595 C PHE C 41 17.672 2.836 -8.106 1.00 0.00 C ATOM 596 O PHE C 41 18.788 3.345 -8.219 1.00 0.00 O ATOM 597 CB PHE C 41 17.084 2.491 -5.709 1.00 0.00 C ATOM 598 CG PHE C 41 16.811 1.565 -4.554 1.00 0.00 C ATOM 599 CD1 PHE C 41 15.690 0.754 -4.545 1.00 0.00 C ATOM 600 CD2 PHE C 41 17.670 1.521 -3.468 1.00 0.00 C ATOM 601 CE1 PHE C 41 15.429 -0.084 -3.477 1.00 0.00 C ATOM 602 CE2 PHE C 41 17.418 0.685 -2.398 1.00 0.00 C ATOM 603 CZ PHE C 41 16.295 -0.119 -2.403 1.00 0.00 C ATOM 0 H PHE C 41 19.266 1.270 -6.229 1.00 0.00 H new ATOM 0 HA PHE C 41 16.556 1.169 -7.312 1.00 0.00 H new ATOM 0 HB2 PHE C 41 17.918 3.142 -5.445 1.00 0.00 H new ATOM 0 HB3 PHE C 41 16.214 3.131 -5.857 1.00 0.00 H new ATOM 0 HD1 PHE C 41 15.010 0.776 -5.384 1.00 0.00 H new ATOM 0 HD2 PHE C 41 18.549 2.149 -3.458 1.00 0.00 H new ATOM 0 HE1 PHE C 41 14.549 -0.710 -3.483 1.00 0.00 H new ATOM 0 HE2 PHE C 41 18.098 0.660 -1.559 1.00 0.00 H new ATOM 0 HZ PHE C 41 16.095 -0.774 -1.568 1.00 0.00 H new ATOM 613 N ASP C 42 16.660 3.150 -8.896 1.00 0.00 N ATOM 614 CA ASP C 42 16.814 4.139 -9.955 1.00 0.00 C ATOM 615 C ASP C 42 15.848 5.294 -9.745 1.00 0.00 C ATOM 616 O ASP C 42 15.927 6.317 -10.426 1.00 0.00 O ATOM 617 CB ASP C 42 16.592 3.493 -11.331 1.00 0.00 C ATOM 618 CG ASP C 42 15.139 3.483 -11.771 1.00 0.00 C ATOM 619 OD1 ASP C 42 14.342 2.711 -11.200 1.00 0.00 O ATOM 620 OD2 ASP C 42 14.795 4.233 -12.714 1.00 0.00 O ATOM 0 H ASP C 42 15.729 2.740 -8.828 1.00 0.00 H new ATOM 0 HA ASP C 42 17.831 4.529 -9.920 1.00 0.00 H new ATOM 0 HB2 ASP C 42 17.184 4.028 -12.074 1.00 0.00 H new ATOM 0 HB3 ASP C 42 16.962 2.468 -11.306 1.00 0.00 H new ATOM 625 N GLY C 43 14.956 5.127 -8.782 1.00 0.00 N ATOM 626 CA GLY C 43 13.994 6.163 -8.463 1.00 0.00 C ATOM 627 C GLY C 43 14.579 7.240 -7.564 1.00 0.00 C ATOM 628 O GLY C 43 15.610 7.830 -7.888 1.00 0.00 O ATOM 0 H GLY C 43 14.880 4.286 -8.211 1.00 0.00 H new ATOM 0 HA2 GLY C 43 13.636 6.619 -9.386 1.00 0.00 H new ATOM 0 HA3 GLY C 43 13.130 5.714 -7.973 1.00 0.00 H new ATOM 632 N PRO C 44 13.950 7.508 -6.408 1.00 0.00 N ATOM 633 CA PRO C 44 14.395 8.557 -5.486 1.00 0.00 C ATOM 634 C PRO C 44 15.569 8.122 -4.606 1.00 0.00 C ATOM 635 O PRO C 44 15.924 8.805 -3.643 1.00 0.00 O ATOM 636 CB PRO C 44 13.154 8.816 -4.634 1.00 0.00 C ATOM 637 CG PRO C 44 12.413 7.520 -4.623 1.00 0.00 C ATOM 638 CD PRO C 44 12.741 6.815 -5.917 1.00 0.00 C ATOM 0 HA PRO C 44 14.764 9.434 -6.018 1.00 0.00 H new ATOM 0 HB2 PRO C 44 13.426 9.123 -3.624 1.00 0.00 H new ATOM 0 HB3 PRO C 44 12.545 9.615 -5.057 1.00 0.00 H new ATOM 0 HG2 PRO C 44 12.709 6.913 -3.767 1.00 0.00 H new ATOM 0 HG3 PRO C 44 11.340 7.690 -4.537 1.00 0.00 H new ATOM 0 HD2 PRO C 44 12.928 5.753 -5.756 1.00 0.00 H new ATOM 0 HD3 PRO C 44 11.921 6.890 -6.631 1.00 0.00 H new ATOM 646 N TYR C 45 16.164 6.984 -4.941 1.00 0.00 N ATOM 647 CA TYR C 45 17.291 6.448 -4.188 1.00 0.00 C ATOM 648 C TYR C 45 18.336 5.894 -5.145 1.00 0.00 C ATOM 649 O TYR C 45 18.041 5.641 -6.314 1.00 0.00 O ATOM 650 CB TYR C 45 16.824 5.349 -3.227 1.00 0.00 C ATOM 651 CG TYR C 45 15.902 5.844 -2.131 1.00 0.00 C ATOM 652 CD1 TYR C 45 16.413 6.306 -0.925 1.00 0.00 C ATOM 653 CD2 TYR C 45 14.524 5.859 -2.307 1.00 0.00 C ATOM 654 CE1 TYR C 45 15.577 6.768 0.074 1.00 0.00 C ATOM 655 CE2 TYR C 45 13.681 6.320 -1.313 1.00 0.00 C ATOM 656 CZ TYR C 45 14.213 6.773 -0.125 1.00 0.00 C ATOM 657 OH TYR C 45 13.378 7.238 0.867 1.00 0.00 O ATOM 0 H TYR C 45 15.882 6.410 -5.736 1.00 0.00 H new ATOM 0 HA TYR C 45 17.733 7.254 -3.602 1.00 0.00 H new ATOM 0 HB2 TYR C 45 16.311 4.575 -3.798 1.00 0.00 H new ATOM 0 HB3 TYR C 45 17.698 4.883 -2.771 1.00 0.00 H new ATOM 0 HD1 TYR C 45 17.481 6.304 -0.765 1.00 0.00 H new ATOM 0 HD2 TYR C 45 14.104 5.504 -3.237 1.00 0.00 H new ATOM 0 HE1 TYR C 45 15.991 7.123 1.006 1.00 0.00 H new ATOM 0 HE2 TYR C 45 12.612 6.325 -1.466 1.00 0.00 H new ATOM 0 HH TYR C 45 12.528 6.752 0.833 1.00 0.00 H new ATOM 667 N ALA C 46 19.554 5.724 -4.651 1.00 0.00 N ATOM 668 CA ALA C 46 20.646 5.204 -5.465 1.00 0.00 C ATOM 669 C ALA C 46 20.954 3.748 -5.116 1.00 0.00 C ATOM 670 O ALA C 46 20.159 3.080 -4.457 1.00 0.00 O ATOM 671 CB ALA C 46 21.884 6.076 -5.295 1.00 0.00 C ATOM 0 H ALA C 46 19.812 5.939 -3.688 1.00 0.00 H new ATOM 0 HA ALA C 46 20.338 5.231 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA C 46 22.695 5.680 -5.907 1.00 0.00 H new ATOM 0 HB2 ALA C 46 21.657 7.095 -5.609 1.00 0.00 H new ATOM 0 HB3 ALA C 46 22.187 6.078 -4.248 1.00 0.00 H new ATOM 677 N ASP C 47 22.107 3.266 -5.559 1.00 0.00 N ATOM 678 CA ASP C 47 22.556 1.911 -5.243 1.00 0.00 C ATOM 679 C ASP C 47 23.142 1.870 -3.830 1.00 0.00 C ATOM 680 O ASP C 47 23.931 2.742 -3.458 1.00 0.00 O ATOM 681 CB ASP C 47 23.590 1.464 -6.284 1.00 0.00 C ATOM 682 CG ASP C 47 24.199 0.110 -5.988 1.00 0.00 C ATOM 683 OD1 ASP C 47 25.330 0.070 -5.466 1.00 0.00 O ATOM 684 OD2 ASP C 47 23.566 -0.917 -6.301 1.00 0.00 O ATOM 0 H ASP C 47 22.755 3.795 -6.143 1.00 0.00 H new ATOM 0 HA ASP C 47 21.710 1.224 -5.275 1.00 0.00 H new ATOM 0 HB2 ASP C 47 23.116 1.434 -7.265 1.00 0.00 H new ATOM 0 HB3 ASP C 47 24.385 2.207 -6.337 1.00 0.00 H new ATOM 689 N GLN C 48 22.742 0.873 -3.038 1.00 0.00 N ATOM 690 CA GLN C 48 23.110 0.818 -1.619 1.00 0.00 C ATOM 691 C GLN C 48 23.614 -0.574 -1.241 1.00 0.00 C ATOM 692 O GLN C 48 23.044 -1.575 -1.670 1.00 0.00 O ATOM 693 CB GLN C 48 21.895 1.144 -0.735 1.00 0.00 C ATOM 694 CG GLN C 48 21.041 2.309 -1.218 1.00 0.00 C ATOM 695 CD GLN C 48 21.785 3.629 -1.256 1.00 0.00 C ATOM 696 OE1 GLN C 48 22.694 3.873 -0.462 1.00 0.00 O ATOM 697 NE2 GLN C 48 21.399 4.484 -2.189 1.00 0.00 N ATOM 0 H GLN C 48 22.164 0.094 -3.353 1.00 0.00 H new ATOM 0 HA GLN C 48 23.899 1.552 -1.458 1.00 0.00 H new ATOM 0 HB2 GLN C 48 21.266 0.256 -0.666 1.00 0.00 H new ATOM 0 HB3 GLN C 48 22.247 1.364 0.273 1.00 0.00 H new ATOM 0 HG2 GLN C 48 20.665 2.084 -2.216 1.00 0.00 H new ATOM 0 HG3 GLN C 48 20.174 2.408 -0.565 1.00 0.00 H new ATOM 0 HE21 GLN C 48 20.640 4.237 -2.825 1.00 0.00 H new ATOM 0 HE22 GLN C 48 21.860 5.390 -2.273 1.00 0.00 H new ATOM 706 N TYR C 49 24.665 -0.632 -0.426 1.00 0.00 N ATOM 707 CA TYR C 49 25.158 -1.904 0.106 1.00 0.00 C ATOM 708 C TYR C 49 24.241 -2.403 1.215 1.00 0.00 C ATOM 709 O TYR C 49 23.554 -1.614 1.873 1.00 0.00 O ATOM 710 CB TYR C 49 26.572 -1.763 0.696 1.00 0.00 C ATOM 711 CG TYR C 49 27.706 -1.658 -0.302 1.00 0.00 C ATOM 712 CD1 TYR C 49 28.106 -0.428 -0.807 1.00 0.00 C ATOM 713 CD2 TYR C 49 28.397 -2.791 -0.715 1.00 0.00 C ATOM 714 CE1 TYR C 49 29.157 -0.329 -1.699 1.00 0.00 C ATOM 715 CE2 TYR C 49 29.448 -2.700 -1.610 1.00 0.00 C ATOM 716 CZ TYR C 49 29.824 -1.467 -2.098 1.00 0.00 C ATOM 717 OH TYR C 49 30.873 -1.369 -2.987 1.00 0.00 O ATOM 0 H TYR C 49 25.192 0.185 -0.119 1.00 0.00 H new ATOM 0 HA TYR C 49 25.180 -2.608 -0.726 1.00 0.00 H new ATOM 0 HB2 TYR C 49 26.591 -0.877 1.331 1.00 0.00 H new ATOM 0 HB3 TYR C 49 26.761 -2.621 1.341 1.00 0.00 H new ATOM 0 HD1 TYR C 49 27.587 0.467 -0.497 1.00 0.00 H new ATOM 0 HD2 TYR C 49 28.109 -3.758 -0.331 1.00 0.00 H new ATOM 0 HE1 TYR C 49 29.454 0.636 -2.082 1.00 0.00 H new ATOM 0 HE2 TYR C 49 29.971 -3.591 -1.925 1.00 0.00 H new ATOM 0 HH TYR C 49 31.236 -2.262 -3.165 1.00 0.00 H new ATOM 727 N MET C 50 24.237 -3.710 1.416 1.00 0.00 N ATOM 728 CA MET C 50 23.545 -4.314 2.540 1.00 0.00 C ATOM 729 C MET C 50 24.258 -5.596 2.949 1.00 0.00 C ATOM 730 O MET C 50 24.543 -6.458 2.113 1.00 0.00 O ATOM 731 CB MET C 50 22.069 -4.581 2.210 1.00 0.00 C ATOM 732 CG MET C 50 21.846 -5.452 0.986 1.00 0.00 C ATOM 733 SD MET C 50 20.097 -5.716 0.630 1.00 0.00 S ATOM 734 CE MET C 50 19.551 -4.036 0.327 1.00 0.00 C ATOM 0 H MET C 50 24.711 -4.378 0.808 1.00 0.00 H new ATOM 0 HA MET C 50 23.564 -3.617 3.378 1.00 0.00 H new ATOM 0 HB2 MET C 50 21.598 -5.057 3.070 1.00 0.00 H new ATOM 0 HB3 MET C 50 21.565 -3.626 2.058 1.00 0.00 H new ATOM 0 HG2 MET C 50 22.322 -4.987 0.123 1.00 0.00 H new ATOM 0 HG3 MET C 50 22.331 -6.416 1.138 1.00 0.00 H new ATOM 0 HE1 MET C 50 18.610 -4.053 -0.223 1.00 0.00 H new ATOM 0 HE2 MET C 50 19.407 -3.523 1.278 1.00 0.00 H new ATOM 0 HE3 MET C 50 20.304 -3.509 -0.259 1.00 0.00 H new ATOM 744 N SER C 51 24.568 -5.690 4.233 1.00 0.00 N ATOM 745 CA SER C 51 25.311 -6.813 4.783 1.00 0.00 C ATOM 746 C SER C 51 24.534 -8.119 4.655 1.00 0.00 C ATOM 747 O SER C 51 23.304 -8.133 4.665 1.00 0.00 O ATOM 748 CB SER C 51 25.635 -6.520 6.245 1.00 0.00 C ATOM 749 OG SER C 51 24.828 -5.460 6.735 1.00 0.00 O ATOM 0 H SER C 51 24.310 -4.987 4.925 1.00 0.00 H new ATOM 0 HA SER C 51 26.234 -6.936 4.216 1.00 0.00 H new ATOM 0 HB2 SER C 51 25.472 -7.415 6.845 1.00 0.00 H new ATOM 0 HB3 SER C 51 26.688 -6.257 6.344 1.00 0.00 H new ATOM 0 HG SER C 51 25.049 -5.288 7.674 1.00 0.00 H new ATOM 755 N ALA C 52 25.277 -9.217 4.553 1.00 0.00 N ATOM 756 CA ALA C 52 24.704 -10.533 4.310 1.00 0.00 C ATOM 757 C ALA C 52 23.833 -10.992 5.462 1.00 0.00 C ATOM 758 O ALA C 52 22.840 -11.686 5.252 1.00 0.00 O ATOM 759 CB ALA C 52 25.805 -11.546 4.053 1.00 0.00 C ATOM 0 H ALA C 52 26.294 -9.217 4.637 1.00 0.00 H new ATOM 0 HA ALA C 52 24.070 -10.456 3.427 1.00 0.00 H new ATOM 0 HB1 ALA C 52 25.363 -12.526 3.873 1.00 0.00 H new ATOM 0 HB2 ALA C 52 26.382 -11.242 3.180 1.00 0.00 H new ATOM 0 HB3 ALA C 52 26.461 -11.598 4.922 1.00 0.00 H new ATOM 765 N GLN C 53 24.209 -10.616 6.674 1.00 0.00 N ATOM 766 CA GLN C 53 23.388 -10.904 7.838 1.00 0.00 C ATOM 767 C GLN C 53 22.075 -10.145 7.742 1.00 0.00 C ATOM 768 O GLN C 53 21.016 -10.645 8.121 1.00 0.00 O ATOM 769 CB GLN C 53 24.122 -10.534 9.126 1.00 0.00 C ATOM 770 CG GLN C 53 25.273 -11.467 9.457 1.00 0.00 C ATOM 771 CD GLN C 53 24.828 -12.910 9.554 1.00 0.00 C ATOM 772 OE1 GLN C 53 24.861 -13.651 8.570 1.00 0.00 O ATOM 773 NE2 GLN C 53 24.391 -13.314 10.733 1.00 0.00 N ATOM 0 H GLN C 53 25.073 -10.113 6.876 1.00 0.00 H new ATOM 0 HA GLN C 53 23.182 -11.974 7.862 1.00 0.00 H new ATOM 0 HB2 GLN C 53 24.503 -9.517 9.038 1.00 0.00 H new ATOM 0 HB3 GLN C 53 23.412 -10.538 9.953 1.00 0.00 H new ATOM 0 HG2 GLN C 53 26.044 -11.377 8.691 1.00 0.00 H new ATOM 0 HG3 GLN C 53 25.725 -11.163 10.401 1.00 0.00 H new ATOM 0 HE21 GLN C 53 24.381 -12.668 11.522 1.00 0.00 H new ATOM 0 HE22 GLN C 53 24.064 -14.272 10.855 1.00 0.00 H new ATOM 782 N THR C 54 22.150 -8.946 7.184 1.00 0.00 N ATOM 783 CA THR C 54 20.975 -8.122 7.005 1.00 0.00 C ATOM 784 C THR C 54 20.101 -8.723 5.912 1.00 0.00 C ATOM 785 O THR C 54 18.875 -8.734 6.002 1.00 0.00 O ATOM 786 CB THR C 54 21.362 -6.680 6.633 1.00 0.00 C ATOM 787 OG1 THR C 54 22.405 -6.226 7.508 1.00 0.00 O ATOM 788 CG2 THR C 54 20.164 -5.749 6.741 1.00 0.00 C ATOM 0 H THR C 54 23.017 -8.526 6.848 1.00 0.00 H new ATOM 0 HA THR C 54 20.424 -8.091 7.945 1.00 0.00 H new ATOM 0 HB THR C 54 21.712 -6.670 5.601 1.00 0.00 H new ATOM 0 HG1 THR C 54 23.260 -6.233 7.029 1.00 0.00 H new ATOM 0 HG21 THR C 54 20.465 -4.736 6.473 1.00 0.00 H new ATOM 0 HG22 THR C 54 19.379 -6.086 6.064 1.00 0.00 H new ATOM 0 HG23 THR C 54 19.788 -5.757 7.764 1.00 0.00 H new ATOM 796 N VAL C 55 20.762 -9.272 4.900 1.00 0.00 N ATOM 797 CA VAL C 55 20.080 -9.905 3.781 1.00 0.00 C ATOM 798 C VAL C 55 19.423 -11.210 4.226 1.00 0.00 C ATOM 799 O VAL C 55 18.455 -11.664 3.635 1.00 0.00 O ATOM 800 CB VAL C 55 21.074 -10.180 2.612 1.00 0.00 C ATOM 801 CG1 VAL C 55 20.478 -11.067 1.510 1.00 0.00 C ATOM 802 CG2 VAL C 55 21.566 -8.870 2.020 1.00 0.00 C ATOM 0 H VAL C 55 21.780 -9.290 4.833 1.00 0.00 H new ATOM 0 HA VAL C 55 19.307 -9.224 3.426 1.00 0.00 H new ATOM 0 HB VAL C 55 21.912 -10.730 3.039 1.00 0.00 H new ATOM 0 HG11 VAL C 55 21.219 -11.221 0.726 1.00 0.00 H new ATOM 0 HG12 VAL C 55 20.192 -12.030 1.933 1.00 0.00 H new ATOM 0 HG13 VAL C 55 19.599 -10.581 1.087 1.00 0.00 H new ATOM 0 HG21 VAL C 55 22.259 -9.077 1.205 1.00 0.00 H new ATOM 0 HG22 VAL C 55 20.718 -8.301 1.639 1.00 0.00 H new ATOM 0 HG23 VAL C 55 22.075 -8.291 2.791 1.00 0.00 H new ATOM 812 N ALA C 56 19.933 -11.791 5.294 1.00 0.00 N ATOM 813 CA ALA C 56 19.415 -13.057 5.780 1.00 0.00 C ATOM 814 C ALA C 56 18.042 -12.881 6.401 1.00 0.00 C ATOM 815 O ALA C 56 17.207 -13.786 6.352 1.00 0.00 O ATOM 816 CB ALA C 56 20.371 -13.682 6.776 1.00 0.00 C ATOM 0 H ALA C 56 20.704 -11.409 5.842 1.00 0.00 H new ATOM 0 HA ALA C 56 19.319 -13.728 4.927 1.00 0.00 H new ATOM 0 HB1 ALA C 56 19.963 -14.630 7.127 1.00 0.00 H new ATOM 0 HB2 ALA C 56 21.334 -13.857 6.296 1.00 0.00 H new ATOM 0 HB3 ALA C 56 20.505 -13.009 7.623 1.00 0.00 H new ATOM 822 N VAL C 57 17.806 -11.720 6.989 1.00 0.00 N ATOM 823 CA VAL C 57 16.507 -11.446 7.592 1.00 0.00 C ATOM 824 C VAL C 57 15.636 -10.638 6.644 1.00 0.00 C ATOM 825 O VAL C 57 14.414 -10.750 6.661 1.00 0.00 O ATOM 826 CB VAL C 57 16.616 -10.666 8.919 1.00 0.00 C ATOM 827 CG1 VAL C 57 15.384 -10.897 9.782 1.00 0.00 C ATOM 828 CG2 VAL C 57 17.886 -11.031 9.672 1.00 0.00 C ATOM 0 H VAL C 57 18.483 -10.961 7.063 1.00 0.00 H new ATOM 0 HA VAL C 57 16.062 -12.420 7.795 1.00 0.00 H new ATOM 0 HB VAL C 57 16.669 -9.604 8.680 1.00 0.00 H new ATOM 0 HG11 VAL C 57 15.482 -10.338 10.713 1.00 0.00 H new ATOM 0 HG12 VAL C 57 14.496 -10.559 9.247 1.00 0.00 H new ATOM 0 HG13 VAL C 57 15.290 -11.960 10.005 1.00 0.00 H new ATOM 0 HG21 VAL C 57 17.933 -10.465 10.602 1.00 0.00 H new ATOM 0 HG22 VAL C 57 17.882 -12.098 9.896 1.00 0.00 H new ATOM 0 HG23 VAL C 57 18.754 -10.793 9.058 1.00 0.00 H new ATOM 838 N PHE C 58 16.268 -9.827 5.808 1.00 0.00 N ATOM 839 CA PHE C 58 15.532 -8.883 4.984 1.00 0.00 C ATOM 840 C PHE C 58 15.679 -9.176 3.498 1.00 0.00 C ATOM 841 O PHE C 58 15.512 -8.282 2.671 1.00 0.00 O ATOM 842 CB PHE C 58 15.983 -7.456 5.279 1.00 0.00 C ATOM 843 CG PHE C 58 15.614 -6.989 6.660 1.00 0.00 C ATOM 844 CD1 PHE C 58 16.554 -6.973 7.678 1.00 0.00 C ATOM 845 CD2 PHE C 58 14.320 -6.575 6.940 1.00 0.00 C ATOM 846 CE1 PHE C 58 16.212 -6.554 8.949 1.00 0.00 C ATOM 847 CE2 PHE C 58 13.974 -6.155 8.210 1.00 0.00 C ATOM 848 CZ PHE C 58 14.920 -6.144 9.215 1.00 0.00 C ATOM 0 H PHE C 58 17.280 -9.804 5.684 1.00 0.00 H new ATOM 0 HA PHE C 58 14.478 -8.993 5.238 1.00 0.00 H new ATOM 0 HB2 PHE C 58 17.064 -7.392 5.158 1.00 0.00 H new ATOM 0 HB3 PHE C 58 15.540 -6.783 4.545 1.00 0.00 H new ATOM 0 HD1 PHE C 58 17.566 -7.292 7.475 1.00 0.00 H new ATOM 0 HD2 PHE C 58 13.576 -6.581 6.158 1.00 0.00 H new ATOM 0 HE1 PHE C 58 16.954 -6.547 9.734 1.00 0.00 H new ATOM 0 HE2 PHE C 58 12.963 -5.835 8.416 1.00 0.00 H new ATOM 0 HZ PHE C 58 14.650 -5.815 10.208 1.00 0.00 H new ATOM 858 N LYS C 59 16.026 -10.415 3.172 1.00 0.00 N ATOM 859 CA LYS C 59 16.038 -10.875 1.780 1.00 0.00 C ATOM 860 C LYS C 59 14.695 -10.594 1.096 1.00 0.00 C ATOM 861 O LYS C 59 13.675 -11.198 1.433 1.00 0.00 O ATOM 862 CB LYS C 59 16.366 -12.372 1.703 1.00 0.00 C ATOM 863 CG LYS C 59 15.504 -13.248 2.603 1.00 0.00 C ATOM 864 CD LYS C 59 15.913 -14.710 2.534 1.00 0.00 C ATOM 865 CE LYS C 59 15.641 -15.310 1.163 1.00 0.00 C ATOM 866 NZ LYS C 59 16.028 -16.743 1.105 1.00 0.00 N ATOM 0 H LYS C 59 16.304 -11.124 3.851 1.00 0.00 H new ATOM 0 HA LYS C 59 16.815 -10.320 1.255 1.00 0.00 H new ATOM 0 HB2 LYS C 59 16.250 -12.705 0.672 1.00 0.00 H new ATOM 0 HB3 LYS C 59 17.413 -12.517 1.969 1.00 0.00 H new ATOM 0 HG2 LYS C 59 15.582 -12.898 3.632 1.00 0.00 H new ATOM 0 HG3 LYS C 59 14.458 -13.150 2.311 1.00 0.00 H new ATOM 0 HD2 LYS C 59 16.974 -14.802 2.767 1.00 0.00 H new ATOM 0 HD3 LYS C 59 15.370 -15.275 3.292 1.00 0.00 H new ATOM 0 HE2 LYS C 59 14.582 -15.209 0.925 1.00 0.00 H new ATOM 0 HE3 LYS C 59 16.193 -14.753 0.406 1.00 0.00 H new ATOM 0 HZ1 LYS C 59 15.828 -17.118 0.156 1.00 0.00 H new ATOM 0 HZ2 LYS C 59 17.044 -16.837 1.308 1.00 0.00 H new ATOM 0 HZ3 LYS C 59 15.483 -17.279 1.811 1.00 0.00 H new ATOM 880 N PRO C 60 14.672 -9.657 0.136 1.00 0.00 N ATOM 881 CA PRO C 60 13.473 -9.264 -0.561 1.00 0.00 C ATOM 882 C PRO C 60 13.373 -9.927 -1.932 1.00 0.00 C ATOM 883 O PRO C 60 13.907 -11.017 -2.150 1.00 0.00 O ATOM 884 CB PRO C 60 13.686 -7.755 -0.693 1.00 0.00 C ATOM 885 CG PRO C 60 15.174 -7.565 -0.759 1.00 0.00 C ATOM 886 CD PRO C 60 15.810 -8.878 -0.362 1.00 0.00 C ATOM 0 HA PRO C 60 12.552 -9.548 -0.051 1.00 0.00 H new ATOM 0 HB2 PRO C 60 13.201 -7.367 -1.588 1.00 0.00 H new ATOM 0 HB3 PRO C 60 13.260 -7.222 0.157 1.00 0.00 H new ATOM 0 HG2 PRO C 60 15.481 -7.277 -1.765 1.00 0.00 H new ATOM 0 HG3 PRO C 60 15.490 -6.766 -0.088 1.00 0.00 H new ATOM 0 HD2 PRO C 60 16.293 -9.365 -1.209 1.00 0.00 H new ATOM 0 HD3 PRO C 60 16.573 -8.742 0.405 1.00 0.00 H new ATOM 894 N GLU C 61 12.701 -9.254 -2.852 1.00 0.00 N ATOM 895 CA GLU C 61 12.489 -9.774 -4.194 1.00 0.00 C ATOM 896 C GLU C 61 12.674 -8.671 -5.224 1.00 0.00 C ATOM 897 O GLU C 61 12.112 -7.583 -5.087 1.00 0.00 O ATOM 898 CB GLU C 61 11.086 -10.370 -4.336 1.00 0.00 C ATOM 899 CG GLU C 61 10.833 -11.577 -3.451 1.00 0.00 C ATOM 900 CD GLU C 61 9.481 -12.204 -3.711 1.00 0.00 C ATOM 901 OE1 GLU C 61 9.377 -13.040 -4.634 1.00 0.00 O ATOM 902 OE2 GLU C 61 8.516 -11.869 -2.995 1.00 0.00 O ATOM 0 H GLU C 61 12.288 -8.335 -2.691 1.00 0.00 H new ATOM 0 HA GLU C 61 13.224 -10.560 -4.367 1.00 0.00 H new ATOM 0 HB2 GLU C 61 10.351 -9.600 -4.102 1.00 0.00 H new ATOM 0 HB3 GLU C 61 10.928 -10.656 -5.376 1.00 0.00 H new ATOM 0 HG2 GLU C 61 11.614 -12.319 -3.619 1.00 0.00 H new ATOM 0 HG3 GLU C 61 10.898 -11.278 -2.405 1.00 0.00 H new ATOM 909 N VAL C 62 13.457 -8.958 -6.249 1.00 0.00 N ATOM 910 CA VAL C 62 13.694 -8.016 -7.321 1.00 0.00 C ATOM 911 C VAL C 62 12.456 -7.907 -8.192 1.00 0.00 C ATOM 912 O VAL C 62 12.138 -8.812 -8.966 1.00 0.00 O ATOM 913 CB VAL C 62 14.905 -8.427 -8.183 1.00 0.00 C ATOM 914 CG1 VAL C 62 15.073 -7.477 -9.360 1.00 0.00 C ATOM 915 CG2 VAL C 62 16.171 -8.470 -7.339 1.00 0.00 C ATOM 0 H VAL C 62 13.943 -9.848 -6.359 1.00 0.00 H new ATOM 0 HA VAL C 62 13.916 -7.048 -6.872 1.00 0.00 H new ATOM 0 HB VAL C 62 14.723 -9.427 -8.577 1.00 0.00 H new ATOM 0 HG11 VAL C 62 15.933 -7.784 -9.956 1.00 0.00 H new ATOM 0 HG12 VAL C 62 14.176 -7.501 -9.978 1.00 0.00 H new ATOM 0 HG13 VAL C 62 15.231 -6.464 -8.990 1.00 0.00 H new ATOM 0 HG21 VAL C 62 17.015 -8.762 -7.964 1.00 0.00 H new ATOM 0 HG22 VAL C 62 16.358 -7.484 -6.913 1.00 0.00 H new ATOM 0 HG23 VAL C 62 16.047 -9.195 -6.534 1.00 0.00 H new ATOM 925 N GLY C 63 11.753 -6.806 -8.041 1.00 0.00 N ATOM 926 CA GLY C 63 10.525 -6.604 -8.783 1.00 0.00 C ATOM 927 C GLY C 63 9.380 -6.165 -7.897 1.00 0.00 C ATOM 928 O GLY C 63 8.416 -5.563 -8.377 1.00 0.00 O ATOM 0 H GLY C 63 12.007 -6.041 -7.416 1.00 0.00 H new ATOM 0 HA2 GLY C 63 10.690 -5.854 -9.556 1.00 0.00 H new ATOM 0 HA3 GLY C 63 10.254 -7.530 -9.290 1.00 0.00 H new ATOM 932 N GLY C 64 9.470 -6.470 -6.609 1.00 0.00 N ATOM 933 CA GLY C 64 8.451 -6.051 -5.682 1.00 0.00 C ATOM 934 C GLY C 64 8.790 -4.730 -5.032 1.00 0.00 C ATOM 935 O GLY C 64 9.689 -4.012 -5.480 1.00 0.00 O ATOM 0 H GLY C 64 10.235 -7.002 -6.194 1.00 0.00 H new ATOM 0 HA2 GLY C 64 7.498 -5.965 -6.204 1.00 0.00 H new ATOM 0 HA3 GLY C 64 8.325 -6.813 -4.912 1.00 0.00 H new ATOM 939 N TYR C 65 8.086 -4.416 -3.966 1.00 0.00 N ATOM 940 CA TYR C 65 8.258 -3.144 -3.289 1.00 0.00 C ATOM 941 C TYR C 65 8.773 -3.346 -1.873 1.00 0.00 C ATOM 942 O TYR C 65 8.309 -4.228 -1.152 1.00 0.00 O ATOM 943 CB TYR C 65 6.935 -2.377 -3.251 1.00 0.00 C ATOM 944 CG TYR C 65 6.381 -2.049 -4.618 1.00 0.00 C ATOM 945 CD1 TYR C 65 6.891 -0.992 -5.359 1.00 0.00 C ATOM 946 CD2 TYR C 65 5.344 -2.795 -5.166 1.00 0.00 C ATOM 947 CE1 TYR C 65 6.387 -0.687 -6.607 1.00 0.00 C ATOM 948 CE2 TYR C 65 4.835 -2.496 -6.414 1.00 0.00 C ATOM 949 CZ TYR C 65 5.360 -1.441 -7.130 1.00 0.00 C ATOM 950 OH TYR C 65 4.852 -1.137 -8.373 1.00 0.00 O ATOM 0 H TYR C 65 7.385 -5.026 -3.546 1.00 0.00 H new ATOM 0 HA TYR C 65 8.993 -2.565 -3.848 1.00 0.00 H new ATOM 0 HB2 TYR C 65 6.200 -2.966 -2.703 1.00 0.00 H new ATOM 0 HB3 TYR C 65 7.079 -1.450 -2.696 1.00 0.00 H new ATOM 0 HD1 TYR C 65 7.696 -0.398 -4.952 1.00 0.00 H new ATOM 0 HD2 TYR C 65 4.930 -3.621 -4.607 1.00 0.00 H new ATOM 0 HE1 TYR C 65 6.796 0.139 -7.171 1.00 0.00 H new ATOM 0 HE2 TYR C 65 4.030 -3.085 -6.827 1.00 0.00 H new ATOM 0 HH TYR C 65 4.133 -1.765 -8.595 1.00 0.00 H new ATOM 960 N LEU C 66 9.751 -2.547 -1.494 1.00 0.00 N ATOM 961 CA LEU C 66 10.225 -2.500 -0.123 1.00 0.00 C ATOM 962 C LEU C 66 9.726 -1.204 0.503 1.00 0.00 C ATOM 963 O LEU C 66 9.517 -0.226 -0.208 1.00 0.00 O ATOM 964 CB LEU C 66 11.757 -2.573 -0.097 1.00 0.00 C ATOM 965 CG LEU C 66 12.421 -2.428 1.277 1.00 0.00 C ATOM 966 CD1 LEU C 66 12.171 -3.661 2.131 1.00 0.00 C ATOM 967 CD2 LEU C 66 13.915 -2.187 1.124 1.00 0.00 C ATOM 0 H LEU C 66 10.239 -1.913 -2.126 1.00 0.00 H new ATOM 0 HA LEU C 66 9.846 -3.349 0.446 1.00 0.00 H new ATOM 0 HB2 LEU C 66 12.061 -3.528 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU C 66 12.148 -1.792 -0.750 1.00 0.00 H new ATOM 0 HG LEU C 66 11.978 -1.568 1.778 1.00 0.00 H new ATOM 0 HD11 LEU C 66 12.652 -3.535 3.101 1.00 0.00 H new ATOM 0 HD12 LEU C 66 11.098 -3.795 2.272 1.00 0.00 H new ATOM 0 HD13 LEU C 66 12.583 -4.538 1.633 1.00 0.00 H new ATOM 0 HD21 LEU C 66 14.370 -2.086 2.109 1.00 0.00 H new ATOM 0 HD22 LEU C 66 14.367 -3.029 0.599 1.00 0.00 H new ATOM 0 HD23 LEU C 66 14.080 -1.273 0.553 1.00 0.00 H new ATOM 979 N PHE C 67 9.490 -1.188 1.800 1.00 0.00 N ATOM 980 CA PHE C 67 9.034 0.034 2.446 1.00 0.00 C ATOM 981 C PHE C 67 9.538 0.121 3.875 1.00 0.00 C ATOM 982 O PHE C 67 9.821 -0.896 4.503 1.00 0.00 O ATOM 983 CB PHE C 67 7.499 0.127 2.427 1.00 0.00 C ATOM 984 CG PHE C 67 6.804 -0.866 3.320 1.00 0.00 C ATOM 985 CD1 PHE C 67 6.491 -2.131 2.859 1.00 0.00 C ATOM 986 CD2 PHE C 67 6.460 -0.528 4.619 1.00 0.00 C ATOM 987 CE1 PHE C 67 5.850 -3.043 3.673 1.00 0.00 C ATOM 988 CE2 PHE C 67 5.819 -1.435 5.439 1.00 0.00 C ATOM 989 CZ PHE C 67 5.513 -2.694 4.966 1.00 0.00 C ATOM 0 H PHE C 67 9.603 -1.990 2.421 1.00 0.00 H new ATOM 0 HA PHE C 67 9.444 0.872 1.882 1.00 0.00 H new ATOM 0 HB2 PHE C 67 7.205 1.133 2.725 1.00 0.00 H new ATOM 0 HB3 PHE C 67 7.151 -0.017 1.404 1.00 0.00 H new ATOM 0 HD1 PHE C 67 6.751 -2.409 1.849 1.00 0.00 H new ATOM 0 HD2 PHE C 67 6.696 0.457 4.994 1.00 0.00 H new ATOM 0 HE1 PHE C 67 5.612 -4.028 3.299 1.00 0.00 H new ATOM 0 HE2 PHE C 67 5.557 -1.159 6.450 1.00 0.00 H new ATOM 0 HZ PHE C 67 5.011 -3.405 5.605 1.00 0.00 H new ATOM 999 N ARG C 68 9.643 1.341 4.379 1.00 0.00 N ATOM 1000 CA ARG C 68 9.996 1.567 5.769 1.00 0.00 C ATOM 1001 C ARG C 68 8.883 2.367 6.410 1.00 0.00 C ATOM 1002 O ARG C 68 8.562 3.463 5.953 1.00 0.00 O ATOM 1003 CB ARG C 68 11.319 2.319 5.891 1.00 0.00 C ATOM 1004 CG ARG C 68 11.760 2.533 7.330 1.00 0.00 C ATOM 1005 CD ARG C 68 12.955 3.466 7.409 1.00 0.00 C ATOM 1006 NE ARG C 68 12.639 4.790 6.882 1.00 0.00 N ATOM 1007 CZ ARG C 68 13.547 5.711 6.571 1.00 0.00 C ATOM 1008 NH1 ARG C 68 14.839 5.475 6.773 1.00 0.00 N ATOM 1009 NH2 ARG C 68 13.155 6.874 6.069 1.00 0.00 N ATOM 0 H ARG C 68 9.487 2.193 3.841 1.00 0.00 H new ATOM 0 HA ARG C 68 10.120 0.608 6.272 1.00 0.00 H new ATOM 0 HB2 ARG C 68 12.093 1.766 5.360 1.00 0.00 H new ATOM 0 HB3 ARG C 68 11.225 3.287 5.400 1.00 0.00 H new ATOM 0 HG2 ARG C 68 10.934 2.947 7.908 1.00 0.00 H new ATOM 0 HG3 ARG C 68 12.015 1.574 7.781 1.00 0.00 H new ATOM 0 HD2 ARG C 68 13.280 3.555 8.446 1.00 0.00 H new ATOM 0 HD3 ARG C 68 13.787 3.040 6.849 1.00 0.00 H new ATOM 0 HE ARG C 68 11.656 5.025 6.743 1.00 0.00 H new ATOM 0 HH11 ARG C 68 15.139 4.584 7.168 1.00 0.00 H new ATOM 0 HH12 ARG C 68 15.531 6.185 6.533 1.00 0.00 H new ATOM 0 HH21 ARG C 68 12.162 7.058 5.923 1.00 0.00 H new ATOM 0 HH22 ARG C 68 13.846 7.585 5.828 1.00 0.00 H new ATOM 1023 N SER C 69 8.292 1.830 7.457 1.00 0.00 N ATOM 1024 CA SER C 69 7.096 2.429 8.010 1.00 0.00 C ATOM 1025 C SER C 69 7.372 3.143 9.336 1.00 0.00 C ATOM 1026 O SER C 69 8.523 3.243 9.766 1.00 0.00 O ATOM 1027 CB SER C 69 5.993 1.371 8.118 1.00 0.00 C ATOM 1028 OG SER C 69 6.491 0.141 8.619 1.00 0.00 O ATOM 0 H SER C 69 8.615 0.990 7.937 1.00 0.00 H new ATOM 0 HA SER C 69 6.746 3.208 7.333 1.00 0.00 H new ATOM 0 HB2 SER C 69 5.202 1.736 8.772 1.00 0.00 H new ATOM 0 HB3 SER C 69 5.546 1.210 7.137 1.00 0.00 H new ATOM 0 HG SER C 69 7.444 0.235 8.828 1.00 0.00 H new ATOM 1034 N GLN C 70 6.316 3.644 9.967 1.00 0.00 N ATOM 1035 CA GLN C 70 6.441 4.596 11.073 1.00 0.00 C ATOM 1036 C GLN C 70 7.202 4.038 12.273 1.00 0.00 C ATOM 1037 O GLN C 70 8.097 4.701 12.797 1.00 0.00 O ATOM 1038 CB GLN C 70 5.061 5.077 11.505 1.00 0.00 C ATOM 1039 CG GLN C 70 4.308 5.784 10.390 1.00 0.00 C ATOM 1040 CD GLN C 70 2.974 6.357 10.827 1.00 0.00 C ATOM 1041 OE1 GLN C 70 2.512 7.349 10.270 1.00 0.00 O ATOM 1042 NE2 GLN C 70 2.351 5.749 11.823 1.00 0.00 N ATOM 0 H GLN C 70 5.353 3.406 9.731 1.00 0.00 H new ATOM 0 HA GLN C 70 7.030 5.433 10.697 1.00 0.00 H new ATOM 0 HB2 GLN C 70 4.475 4.224 11.849 1.00 0.00 H new ATOM 0 HB3 GLN C 70 5.166 5.754 12.353 1.00 0.00 H new ATOM 0 HG2 GLN C 70 4.929 6.589 9.997 1.00 0.00 H new ATOM 0 HG3 GLN C 70 4.142 5.082 9.573 1.00 0.00 H new ATOM 0 HE21 GLN C 70 2.768 4.927 12.260 1.00 0.00 H new ATOM 0 HE22 GLN C 70 1.453 6.102 12.154 1.00 0.00 H new ATOM 1051 N TYR C 71 6.870 2.825 12.702 1.00 0.00 N ATOM 1052 CA TYR C 71 7.504 2.242 13.886 1.00 0.00 C ATOM 1053 C TYR C 71 8.965 1.897 13.601 1.00 0.00 C ATOM 1054 O TYR C 71 9.724 1.555 14.504 1.00 0.00 O ATOM 1055 CB TYR C 71 6.759 0.986 14.354 1.00 0.00 C ATOM 1056 CG TYR C 71 5.291 1.207 14.645 1.00 0.00 C ATOM 1057 CD1 TYR C 71 4.858 1.582 15.910 1.00 0.00 C ATOM 1058 CD2 TYR C 71 4.337 1.028 13.653 1.00 0.00 C ATOM 1059 CE1 TYR C 71 3.515 1.772 16.177 1.00 0.00 C ATOM 1060 CE2 TYR C 71 2.994 1.218 13.910 1.00 0.00 C ATOM 1061 CZ TYR C 71 2.587 1.589 15.172 1.00 0.00 C ATOM 1062 OH TYR C 71 1.246 1.774 15.431 1.00 0.00 O ATOM 0 H TYR C 71 6.173 2.229 12.255 1.00 0.00 H new ATOM 0 HA TYR C 71 7.461 2.987 14.681 1.00 0.00 H new ATOM 0 HB2 TYR C 71 6.854 0.215 13.589 1.00 0.00 H new ATOM 0 HB3 TYR C 71 7.243 0.604 15.253 1.00 0.00 H new ATOM 0 HD1 TYR C 71 5.582 1.728 16.698 1.00 0.00 H new ATOM 0 HD2 TYR C 71 4.651 0.735 12.662 1.00 0.00 H new ATOM 0 HE1 TYR C 71 3.194 2.062 17.167 1.00 0.00 H new ATOM 0 HE2 TYR C 71 2.266 1.076 13.125 1.00 0.00 H new ATOM 0 HH TYR C 71 0.729 1.606 14.616 1.00 0.00 H new ATOM 1072 N GLY C 72 9.349 2.002 12.338 1.00 0.00 N ATOM 1073 CA GLY C 72 10.713 1.719 11.945 1.00 0.00 C ATOM 1074 C GLY C 72 10.827 0.398 11.225 1.00 0.00 C ATOM 1075 O GLY C 72 11.884 0.057 10.690 1.00 0.00 O ATOM 0 H GLY C 72 8.735 2.280 11.573 1.00 0.00 H new ATOM 0 HA2 GLY C 72 11.078 2.517 11.299 1.00 0.00 H new ATOM 0 HA3 GLY C 72 11.351 1.707 12.829 1.00 0.00 H new ATOM 1079 N GLU C 73 9.725 -0.338 11.205 1.00 0.00 N ATOM 1080 CA GLU C 73 9.674 -1.636 10.566 1.00 0.00 C ATOM 1081 C GLU C 73 9.730 -1.481 9.056 1.00 0.00 C ATOM 1082 O GLU C 73 9.080 -0.605 8.478 1.00 0.00 O ATOM 1083 CB GLU C 73 8.396 -2.367 10.972 1.00 0.00 C ATOM 1084 CG GLU C 73 8.256 -3.752 10.370 1.00 0.00 C ATOM 1085 CD GLU C 73 6.947 -4.410 10.744 1.00 0.00 C ATOM 1086 OE1 GLU C 73 6.954 -5.316 11.602 1.00 0.00 O ATOM 1087 OE2 GLU C 73 5.899 -4.017 10.190 1.00 0.00 O ATOM 0 H GLU C 73 8.845 -0.049 11.632 1.00 0.00 H new ATOM 0 HA GLU C 73 10.535 -2.221 10.889 1.00 0.00 H new ATOM 0 HB2 GLU C 73 8.368 -2.450 12.058 1.00 0.00 H new ATOM 0 HB3 GLU C 73 7.537 -1.765 10.676 1.00 0.00 H new ATOM 0 HG2 GLU C 73 8.328 -3.683 9.285 1.00 0.00 H new ATOM 0 HG3 GLU C 73 9.083 -4.377 10.706 1.00 0.00 H new ATOM 1094 N LEU C 74 10.518 -2.323 8.426 1.00 0.00 N ATOM 1095 CA LEU C 74 10.652 -2.313 6.984 1.00 0.00 C ATOM 1096 C LEU C 74 10.487 -3.720 6.432 1.00 0.00 C ATOM 1097 O LEU C 74 11.131 -4.663 6.888 1.00 0.00 O ATOM 1098 CB LEU C 74 12.003 -1.730 6.550 1.00 0.00 C ATOM 1099 CG LEU C 74 13.232 -2.489 7.041 1.00 0.00 C ATOM 1100 CD1 LEU C 74 14.430 -2.190 6.153 1.00 0.00 C ATOM 1101 CD2 LEU C 74 13.545 -2.120 8.484 1.00 0.00 C ATOM 0 H LEU C 74 11.082 -3.032 8.895 1.00 0.00 H new ATOM 0 HA LEU C 74 9.866 -1.675 6.580 1.00 0.00 H new ATOM 0 HB2 LEU C 74 12.031 -1.694 5.461 1.00 0.00 H new ATOM 0 HB3 LEU C 74 12.066 -0.701 6.905 1.00 0.00 H new ATOM 0 HG LEU C 74 13.018 -3.557 6.993 1.00 0.00 H new ATOM 0 HD11 LEU C 74 15.299 -2.739 6.517 1.00 0.00 H new ATOM 0 HD12 LEU C 74 14.210 -2.495 5.130 1.00 0.00 H new ATOM 0 HD13 LEU C 74 14.641 -1.121 6.175 1.00 0.00 H new ATOM 0 HD21 LEU C 74 14.424 -2.671 8.818 1.00 0.00 H new ATOM 0 HD22 LEU C 74 13.740 -1.050 8.552 1.00 0.00 H new ATOM 0 HD23 LEU C 74 12.695 -2.375 9.117 1.00 0.00 H new ATOM 1113 N LEU C 75 9.611 -3.846 5.457 1.00 0.00 N ATOM 1114 CA LEU C 75 9.296 -5.131 4.846 1.00 0.00 C ATOM 1115 C LEU C 75 9.165 -4.967 3.343 1.00 0.00 C ATOM 1116 O LEU C 75 9.132 -3.847 2.832 1.00 0.00 O ATOM 1117 CB LEU C 75 7.984 -5.708 5.404 1.00 0.00 C ATOM 1118 CG LEU C 75 8.113 -6.754 6.523 1.00 0.00 C ATOM 1119 CD1 LEU C 75 9.092 -7.852 6.135 1.00 0.00 C ATOM 1120 CD2 LEU C 75 8.519 -6.110 7.836 1.00 0.00 C ATOM 0 H LEU C 75 9.093 -3.061 5.061 1.00 0.00 H new ATOM 0 HA LEU C 75 10.107 -5.820 5.080 1.00 0.00 H new ATOM 0 HB2 LEU C 75 7.380 -4.881 5.778 1.00 0.00 H new ATOM 0 HB3 LEU C 75 7.432 -6.158 4.579 1.00 0.00 H new ATOM 0 HG LEU C 75 7.132 -7.208 6.663 1.00 0.00 H new ATOM 0 HD11 LEU C 75 9.164 -8.578 6.945 1.00 0.00 H new ATOM 0 HD12 LEU C 75 8.741 -8.350 5.231 1.00 0.00 H new ATOM 0 HD13 LEU C 75 10.074 -7.416 5.951 1.00 0.00 H new ATOM 0 HD21 LEU C 75 8.602 -6.876 8.607 1.00 0.00 H new ATOM 0 HD22 LEU C 75 9.481 -5.612 7.715 1.00 0.00 H new ATOM 0 HD23 LEU C 75 7.766 -5.379 8.131 1.00 0.00 H new ATOM 1132 N TYR C 76 9.094 -6.084 2.642 1.00 0.00 N ATOM 1133 CA TYR C 76 8.916 -6.071 1.204 1.00 0.00 C ATOM 1134 C TYR C 76 7.662 -6.851 0.850 1.00 0.00 C ATOM 1135 O TYR C 76 7.235 -7.710 1.627 1.00 0.00 O ATOM 1136 CB TYR C 76 10.124 -6.710 0.504 1.00 0.00 C ATOM 1137 CG TYR C 76 10.124 -8.222 0.587 1.00 0.00 C ATOM 1138 CD1 TYR C 76 9.520 -8.985 -0.406 1.00 0.00 C ATOM 1139 CD2 TYR C 76 10.695 -8.884 1.665 1.00 0.00 C ATOM 1140 CE1 TYR C 76 9.484 -10.359 -0.330 1.00 0.00 C ATOM 1141 CE2 TYR C 76 10.668 -10.264 1.747 1.00 0.00 C ATOM 1142 CZ TYR C 76 10.060 -10.997 0.749 1.00 0.00 C ATOM 1143 OH TYR C 76 10.029 -12.370 0.828 1.00 0.00 O ATOM 0 H TYR C 76 9.158 -7.017 3.050 1.00 0.00 H new ATOM 0 HA TYR C 76 8.824 -5.038 0.870 1.00 0.00 H new ATOM 0 HB2 TYR C 76 10.131 -6.409 -0.544 1.00 0.00 H new ATOM 0 HB3 TYR C 76 11.041 -6.327 0.952 1.00 0.00 H new ATOM 0 HD1 TYR C 76 9.070 -8.490 -1.254 1.00 0.00 H new ATOM 0 HD2 TYR C 76 11.167 -8.313 2.451 1.00 0.00 H new ATOM 0 HE1 TYR C 76 9.008 -10.934 -1.110 1.00 0.00 H new ATOM 0 HE2 TYR C 76 11.121 -10.766 2.589 1.00 0.00 H new ATOM 0 HH TYR C 76 10.479 -12.661 1.649 1.00 0.00 H new ATOM 1153 N MET C 77 7.087 -6.565 -0.309 1.00 0.00 N ATOM 1154 CA MET C 77 5.977 -7.351 -0.829 1.00 0.00 C ATOM 1155 C MET C 77 5.562 -6.840 -2.205 1.00 0.00 C ATOM 1156 O MET C 77 5.987 -5.765 -2.631 1.00 0.00 O ATOM 1157 CB MET C 77 4.790 -7.323 0.141 1.00 0.00 C ATOM 1158 CG MET C 77 3.693 -8.325 -0.187 1.00 0.00 C ATOM 1159 SD MET C 77 4.319 -10.005 -0.408 1.00 0.00 S ATOM 1160 CE MET C 77 5.089 -10.296 1.183 1.00 0.00 C ATOM 0 H MET C 77 7.372 -5.791 -0.909 1.00 0.00 H new ATOM 0 HA MET C 77 6.306 -8.385 -0.931 1.00 0.00 H new ATOM 0 HB2 MET C 77 5.155 -7.518 1.150 1.00 0.00 H new ATOM 0 HB3 MET C 77 4.362 -6.321 0.145 1.00 0.00 H new ATOM 0 HG2 MET C 77 2.953 -8.321 0.613 1.00 0.00 H new ATOM 0 HG3 MET C 77 3.181 -8.011 -1.097 1.00 0.00 H new ATOM 0 HE1 MET C 77 5.042 -11.359 1.421 1.00 0.00 H new ATOM 0 HE2 MET C 77 6.131 -9.978 1.147 1.00 0.00 H new ATOM 0 HE3 MET C 77 4.563 -9.729 1.951 1.00 0.00 H new ATOM 1170 N SER C 78 4.767 -7.633 -2.904 1.00 0.00 N ATOM 1171 CA SER C 78 4.244 -7.260 -4.211 1.00 0.00 C ATOM 1172 C SER C 78 3.081 -6.255 -4.094 1.00 0.00 C ATOM 1173 O SER C 78 3.045 -5.433 -3.171 1.00 0.00 O ATOM 1174 CB SER C 78 3.805 -8.530 -4.943 1.00 0.00 C ATOM 1175 OG SER C 78 2.948 -9.312 -4.128 1.00 0.00 O ATOM 0 H SER C 78 4.465 -8.553 -2.583 1.00 0.00 H new ATOM 0 HA SER C 78 5.028 -6.761 -4.780 1.00 0.00 H new ATOM 0 HB2 SER C 78 3.292 -8.263 -5.867 1.00 0.00 H new ATOM 0 HB3 SER C 78 4.681 -9.115 -5.223 1.00 0.00 H new ATOM 0 HG SER C 78 2.678 -10.118 -4.616 1.00 0.00 H new ATOM 1181 N LYS C 79 2.119 -6.334 -5.010 1.00 0.00 N ATOM 1182 CA LYS C 79 1.050 -5.337 -5.090 1.00 0.00 C ATOM 1183 C LYS C 79 0.050 -5.542 -3.976 1.00 0.00 C ATOM 1184 O LYS C 79 -0.665 -4.616 -3.588 1.00 0.00 O ATOM 1185 CB LYS C 79 0.315 -5.423 -6.418 1.00 0.00 C ATOM 1186 CG LYS C 79 1.224 -5.708 -7.592 1.00 0.00 C ATOM 1187 CD LYS C 79 0.460 -5.714 -8.906 1.00 0.00 C ATOM 1188 CE LYS C 79 -0.582 -6.823 -8.946 1.00 0.00 C ATOM 1189 NZ LYS C 79 -1.362 -6.798 -10.207 1.00 0.00 N ATOM 0 H LYS C 79 2.056 -7.076 -5.707 1.00 0.00 H new ATOM 0 HA LYS C 79 1.516 -4.356 -4.998 1.00 0.00 H new ATOM 0 HB2 LYS C 79 -0.441 -6.205 -6.356 1.00 0.00 H new ATOM 0 HB3 LYS C 79 -0.211 -4.485 -6.595 1.00 0.00 H new ATOM 0 HG2 LYS C 79 2.012 -4.956 -7.633 1.00 0.00 H new ATOM 0 HG3 LYS C 79 1.711 -6.673 -7.450 1.00 0.00 H new ATOM 0 HD2 LYS C 79 -0.029 -4.750 -9.047 1.00 0.00 H new ATOM 0 HD3 LYS C 79 1.159 -5.841 -9.733 1.00 0.00 H new ATOM 0 HE2 LYS C 79 -0.089 -7.790 -8.842 1.00 0.00 H new ATOM 0 HE3 LYS C 79 -1.258 -6.718 -8.098 1.00 0.00 H new ATOM 0 HZ1 LYS C 79 -2.062 -7.568 -10.198 1.00 0.00 H new ATOM 0 HZ2 LYS C 79 -1.853 -5.885 -10.294 1.00 0.00 H new ATOM 0 HZ3 LYS C 79 -0.720 -6.924 -11.015 1.00 0.00 H new ATOM 1203 N THR C 80 -0.011 -6.768 -3.491 1.00 0.00 N ATOM 1204 CA THR C 80 -0.851 -7.102 -2.354 1.00 0.00 C ATOM 1205 C THR C 80 -0.652 -6.094 -1.222 1.00 0.00 C ATOM 1206 O THR C 80 -1.615 -5.580 -0.646 1.00 0.00 O ATOM 1207 CB THR C 80 -0.539 -8.520 -1.847 1.00 0.00 C ATOM 1208 OG1 THR C 80 0.880 -8.687 -1.708 1.00 0.00 O ATOM 1209 CG2 THR C 80 -1.090 -9.573 -2.798 1.00 0.00 C ATOM 0 H THR C 80 0.515 -7.555 -3.870 1.00 0.00 H new ATOM 0 HA THR C 80 -1.890 -7.065 -2.682 1.00 0.00 H new ATOM 0 HB THR C 80 -1.018 -8.649 -0.877 1.00 0.00 H new ATOM 0 HG1 THR C 80 1.271 -8.900 -2.581 1.00 0.00 H new ATOM 0 HG21 THR C 80 -0.856 -10.567 -2.416 1.00 0.00 H new ATOM 0 HG22 THR C 80 -2.171 -9.461 -2.878 1.00 0.00 H new ATOM 0 HG23 THR C 80 -0.638 -9.447 -3.782 1.00 0.00 H new ATOM 1217 N ALA C 81 0.606 -5.782 -0.938 1.00 0.00 N ATOM 1218 CA ALA C 81 0.935 -4.795 0.073 1.00 0.00 C ATOM 1219 C ALA C 81 0.838 -3.391 -0.496 1.00 0.00 C ATOM 1220 O ALA C 81 0.471 -2.460 0.210 1.00 0.00 O ATOM 1221 CB ALA C 81 2.325 -5.029 0.624 1.00 0.00 C ATOM 0 H ALA C 81 1.415 -6.201 -1.397 1.00 0.00 H new ATOM 0 HA ALA C 81 0.215 -4.898 0.885 1.00 0.00 H new ATOM 0 HB1 ALA C 81 2.548 -4.276 1.380 1.00 0.00 H new ATOM 0 HB2 ALA C 81 2.376 -6.021 1.073 1.00 0.00 H new ATOM 0 HB3 ALA C 81 3.053 -4.959 -0.184 1.00 0.00 H new ATOM 1227 N PHE C 82 1.166 -3.247 -1.776 1.00 0.00 N ATOM 1228 CA PHE C 82 1.129 -1.946 -2.440 1.00 0.00 C ATOM 1229 C PHE C 82 -0.237 -1.289 -2.276 1.00 0.00 C ATOM 1230 O PHE C 82 -0.344 -0.090 -2.045 1.00 0.00 O ATOM 1231 CB PHE C 82 1.471 -2.086 -3.925 1.00 0.00 C ATOM 1232 CG PHE C 82 1.585 -0.770 -4.642 1.00 0.00 C ATOM 1233 CD1 PHE C 82 0.521 -0.272 -5.378 1.00 0.00 C ATOM 1234 CD2 PHE C 82 2.751 -0.028 -4.572 1.00 0.00 C ATOM 1235 CE1 PHE C 82 0.620 0.940 -6.030 1.00 0.00 C ATOM 1236 CE2 PHE C 82 2.856 1.185 -5.224 1.00 0.00 C ATOM 1237 CZ PHE C 82 1.788 1.669 -5.954 1.00 0.00 C ATOM 0 H PHE C 82 1.461 -4.017 -2.377 1.00 0.00 H new ATOM 0 HA PHE C 82 1.877 -1.309 -1.968 1.00 0.00 H new ATOM 0 HB2 PHE C 82 2.412 -2.627 -4.023 1.00 0.00 H new ATOM 0 HB3 PHE C 82 0.704 -2.690 -4.411 1.00 0.00 H new ATOM 0 HD1 PHE C 82 -0.396 -0.839 -5.442 1.00 0.00 H new ATOM 0 HD2 PHE C 82 3.588 -0.402 -4.001 1.00 0.00 H new ATOM 0 HE1 PHE C 82 -0.217 1.317 -6.599 1.00 0.00 H new ATOM 0 HE2 PHE C 82 3.772 1.754 -5.163 1.00 0.00 H new ATOM 0 HZ PHE C 82 1.868 2.617 -6.465 1.00 0.00 H new ATOM 1247 N GLU C 83 -1.283 -2.075 -2.383 1.00 0.00 N ATOM 1248 CA GLU C 83 -2.626 -1.545 -2.219 1.00 0.00 C ATOM 1249 C GLU C 83 -2.922 -1.252 -0.735 1.00 0.00 C ATOM 1250 O GLU C 83 -3.382 -0.161 -0.390 1.00 0.00 O ATOM 1251 CB GLU C 83 -3.638 -2.528 -2.841 1.00 0.00 C ATOM 1252 CG GLU C 83 -5.052 -1.984 -3.017 1.00 0.00 C ATOM 1253 CD GLU C 83 -5.843 -1.898 -1.727 1.00 0.00 C ATOM 1254 OE1 GLU C 83 -5.975 -2.929 -1.032 1.00 0.00 O ATOM 1255 OE2 GLU C 83 -6.362 -0.806 -1.417 1.00 0.00 O ATOM 0 H GLU C 83 -1.237 -3.075 -2.581 1.00 0.00 H new ATOM 0 HA GLU C 83 -2.715 -0.593 -2.742 1.00 0.00 H new ATOM 0 HB2 GLU C 83 -3.263 -2.841 -3.815 1.00 0.00 H new ATOM 0 HB3 GLU C 83 -3.685 -3.420 -2.216 1.00 0.00 H new ATOM 0 HG2 GLU C 83 -4.996 -0.991 -3.464 1.00 0.00 H new ATOM 0 HG3 GLU C 83 -5.590 -2.620 -3.720 1.00 0.00 H new ATOM 1262 N ALA C 84 -2.567 -2.183 0.143 1.00 0.00 N ATOM 1263 CA ALA C 84 -2.997 -2.126 1.546 1.00 0.00 C ATOM 1264 C ALA C 84 -2.111 -1.229 2.406 1.00 0.00 C ATOM 1265 O ALA C 84 -2.578 -0.644 3.380 1.00 0.00 O ATOM 1266 CB ALA C 84 -3.033 -3.529 2.132 1.00 0.00 C ATOM 0 H ALA C 84 -1.983 -2.988 -0.086 1.00 0.00 H new ATOM 0 HA ALA C 84 -3.995 -1.687 1.554 1.00 0.00 H new ATOM 0 HB1 ALA C 84 -3.353 -3.480 3.173 1.00 0.00 H new ATOM 0 HB2 ALA C 84 -3.734 -4.142 1.565 1.00 0.00 H new ATOM 0 HB3 ALA C 84 -2.038 -3.971 2.078 1.00 0.00 H new ATOM 1272 N ASN C 85 -0.838 -1.136 2.068 1.00 0.00 N ATOM 1273 CA ASN C 85 0.103 -0.379 2.885 1.00 0.00 C ATOM 1274 C ASN C 85 0.672 0.822 2.148 1.00 0.00 C ATOM 1275 O ASN C 85 1.301 1.678 2.761 1.00 0.00 O ATOM 1276 CB ASN C 85 1.251 -1.275 3.359 1.00 0.00 C ATOM 1277 CG ASN C 85 0.955 -1.990 4.667 1.00 0.00 C ATOM 1278 OD1 ASN C 85 -0.317 -2.232 4.951 1.00 0.00 O flip ATOM 1279 ND2 ASN C 85 1.869 -2.316 5.425 1.00 0.00 N flip ATOM 0 H ASN C 85 -0.430 -1.570 1.240 1.00 0.00 H new ATOM 0 HA ASN C 85 -0.457 -0.012 3.745 1.00 0.00 H new ATOM 0 HB2 ASN C 85 1.466 -2.016 2.589 1.00 0.00 H new ATOM 0 HB3 ASN C 85 2.149 -0.670 3.479 1.00 0.00 H new ATOM 0 HD21 ASN C 85 2.837 -2.114 5.174 1.00 0.00 H new ATOM 0 HD22 ASN C 85 1.658 -2.788 6.304 1.00 0.00 H new ATOM 1286 N TYR C 86 0.495 0.882 0.832 1.00 0.00 N ATOM 1287 CA TYR C 86 1.028 2.019 0.088 1.00 0.00 C ATOM 1288 C TYR C 86 -0.042 3.021 -0.337 1.00 0.00 C ATOM 1289 O TYR C 86 0.277 4.131 -0.760 1.00 0.00 O ATOM 1290 CB TYR C 86 1.792 1.569 -1.155 1.00 0.00 C ATOM 1291 CG TYR C 86 2.972 0.676 -0.871 1.00 0.00 C ATOM 1292 CD1 TYR C 86 2.801 -0.485 -0.151 1.00 0.00 C ATOM 1293 CD2 TYR C 86 4.244 0.977 -1.340 1.00 0.00 C ATOM 1294 CE1 TYR C 86 3.838 -1.332 0.103 1.00 0.00 C ATOM 1295 CE2 TYR C 86 5.307 0.131 -1.087 1.00 0.00 C ATOM 1296 CZ TYR C 86 5.099 -1.026 -0.364 1.00 0.00 C ATOM 1297 OH TYR C 86 6.147 -1.881 -0.122 1.00 0.00 O ATOM 0 H TYR C 86 0.004 0.183 0.274 1.00 0.00 H new ATOM 0 HA TYR C 86 1.703 2.517 0.784 1.00 0.00 H new ATOM 0 HB2 TYR C 86 1.105 1.043 -1.818 1.00 0.00 H new ATOM 0 HB3 TYR C 86 2.140 2.451 -1.692 1.00 0.00 H new ATOM 0 HD1 TYR C 86 1.818 -0.731 0.223 1.00 0.00 H new ATOM 0 HD2 TYR C 86 4.404 1.881 -1.908 1.00 0.00 H new ATOM 0 HE1 TYR C 86 3.673 -2.238 0.667 1.00 0.00 H new ATOM 0 HE2 TYR C 86 6.294 0.374 -1.453 1.00 0.00 H new ATOM 0 HH TYR C 86 5.800 -2.749 0.172 1.00 0.00 H new ATOM 1307 N THR C 87 -1.299 2.669 -0.215 1.00 0.00 N ATOM 1308 CA THR C 87 -2.350 3.546 -0.703 1.00 0.00 C ATOM 1309 C THR C 87 -3.552 3.576 0.251 1.00 0.00 C ATOM 1310 O THR C 87 -3.500 4.240 1.288 1.00 0.00 O ATOM 1311 CB THR C 87 -2.800 3.176 -2.141 1.00 0.00 C ATOM 1312 OG1 THR C 87 -3.176 1.795 -2.222 1.00 0.00 O ATOM 1313 CG2 THR C 87 -1.688 3.444 -3.145 1.00 0.00 C ATOM 0 H THR C 87 -1.621 1.799 0.209 1.00 0.00 H new ATOM 0 HA THR C 87 -1.923 4.548 -0.740 1.00 0.00 H new ATOM 0 HB THR C 87 -3.662 3.799 -2.380 1.00 0.00 H new ATOM 0 HG1 THR C 87 -3.162 1.399 -1.326 1.00 0.00 H new ATOM 0 HG21 THR C 87 -2.029 3.176 -4.145 1.00 0.00 H new ATOM 0 HG22 THR C 87 -1.424 4.501 -3.122 1.00 0.00 H new ATOM 0 HG23 THR C 87 -0.814 2.846 -2.888 1.00 0.00 H new