USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=22 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 -150:sc= 0.358 USER MOD Set 1.2: C 54 THR OG1 : rot 140:sc= 0.253 USER MOD Set 2.1: C 20 TYR OH : rot 165:sc= 0.182 USER MOD Set 2.2: C 22 SER OG : rot -55:sc= 0.276 USER MOD Single : C 13 TYR OH : rot -120:sc=-0.00508 USER MOD Single : C 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 27 LYS NZ :NH3+ -160:sc= 1.15 (180deg=0.746) 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= -0.0606 K(o=-0.061,f=-0.77) USER MOD Single : C 36 SER OG : rot -83:sc= 1.23 USER MOD Single : C 38 ASN :FLIP amide:sc= -0.758 F(o=-2.4,f=-0.76) USER MOD Single : C 45 TYR OH : rot 30:sc= 0 USER MOD Single : C 48 GLN : amide:sc= 0.97 K(o=0.97,f=0) USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 59 LYS NZ :NH3+ -129:sc= 1.19 (180deg=-0.339) USER MOD Single : C 65 TYR OH : rot 180:sc= 0 USER MOD Single : C 69 SER OG : rot 170:sc= -0.736 USER MOD Single : C 70 GLN : amide:sc= -1.64 K(o=-1.6,f=-2.2) USER MOD Single : C 71 TYR OH : rot 180:sc= 0 USER MOD Single : C 76 TYR OH : rot 26:sc= 0.362 USER MOD Single : C 77 MET CE :methyl 146:sc= -0.15 (180deg=-0.814) USER MOD Single : C 78 SER OG : rot 180:sc= 0.0335 USER MOD Single : C 79 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.27) USER MOD Single : C 80 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : C 85 ASN : amide:sc= -0.0588 K(o=-0.059,f=-1.4!) USER MOD Single : C 86 TYR OH : rot 180:sc= 0 USER MOD Single : C 87 THR OG1 : rot -36:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 167 N LEU C 12 3.545 5.204 -2.766 1.00 0.00 N ATOM 168 CA LEU C 12 3.526 5.741 -1.412 1.00 0.00 C ATOM 169 C LEU C 12 2.321 5.170 -0.682 1.00 0.00 C ATOM 170 O LEU C 12 1.179 5.487 -1.012 1.00 0.00 O ATOM 171 CB LEU C 12 3.469 7.282 -1.408 1.00 0.00 C ATOM 172 CG LEU C 12 4.789 8.021 -1.702 1.00 0.00 C ATOM 173 CD1 LEU C 12 5.918 7.483 -0.837 1.00 0.00 C ATOM 174 CD2 LEU C 12 5.159 7.940 -3.174 1.00 0.00 C ATOM 0 HA LEU C 12 4.448 5.453 -0.908 1.00 0.00 H new ATOM 0 HB2 LEU C 12 2.730 7.598 -2.145 1.00 0.00 H new ATOM 0 HB3 LEU C 12 3.106 7.607 -0.433 1.00 0.00 H new ATOM 0 HG LEU C 12 4.636 9.071 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU C 12 6.838 8.021 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU C 12 5.667 7.620 0.215 1.00 0.00 H new ATOM 0 HD13 LEU C 12 6.059 6.422 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU C 12 6.095 8.472 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU C 12 5.278 6.896 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU C 12 4.370 8.394 -3.773 1.00 0.00 H new ATOM 186 N TYR C 13 2.577 4.321 0.301 1.00 0.00 N ATOM 187 CA TYR C 13 1.511 3.559 0.934 1.00 0.00 C ATOM 188 C TYR C 13 1.177 4.102 2.313 1.00 0.00 C ATOM 189 O TYR C 13 1.945 4.870 2.893 1.00 0.00 O ATOM 190 CB TYR C 13 1.912 2.095 1.079 1.00 0.00 C ATOM 191 CG TYR C 13 2.504 1.474 -0.164 1.00 0.00 C ATOM 192 CD1 TYR C 13 3.845 1.119 -0.203 1.00 0.00 C ATOM 193 CD2 TYR C 13 1.727 1.232 -1.289 1.00 0.00 C ATOM 194 CE1 TYR C 13 4.397 0.538 -1.325 1.00 0.00 C ATOM 195 CE2 TYR C 13 2.274 0.654 -2.418 1.00 0.00 C ATOM 196 CZ TYR C 13 3.609 0.309 -2.428 1.00 0.00 C ATOM 197 OH TYR C 13 4.158 -0.272 -3.544 1.00 0.00 O ATOM 0 H TYR C 13 3.508 4.142 0.677 1.00 0.00 H new ATOM 0 HA TYR C 13 0.634 3.648 0.292 1.00 0.00 H new ATOM 0 HB2 TYR C 13 2.635 2.010 1.890 1.00 0.00 H new ATOM 0 HB3 TYR C 13 1.034 1.520 1.373 1.00 0.00 H new ATOM 0 HD1 TYR C 13 4.467 1.301 0.661 1.00 0.00 H new ATOM 0 HD2 TYR C 13 0.681 1.499 -1.281 1.00 0.00 H new ATOM 0 HE1 TYR C 13 5.442 0.265 -1.337 1.00 0.00 H new ATOM 0 HE2 TYR C 13 1.660 0.473 -3.288 1.00 0.00 H new ATOM 0 HH TYR C 13 4.066 0.335 -4.308 1.00 0.00 H new ATOM 207 N LYS C 14 0.019 3.699 2.828 1.00 0.00 N ATOM 208 CA LYS C 14 -0.322 3.950 4.201 1.00 0.00 C ATOM 209 C LYS C 14 -0.236 2.638 4.956 1.00 0.00 C ATOM 210 O LYS C 14 0.140 1.611 4.390 1.00 0.00 O ATOM 211 CB LYS C 14 -1.728 4.551 4.315 1.00 0.00 C ATOM 212 CG LYS C 14 -1.817 5.989 3.830 1.00 0.00 C ATOM 213 CD LYS C 14 -3.199 6.573 4.075 1.00 0.00 C ATOM 214 CE LYS C 14 -3.249 8.050 3.722 1.00 0.00 C ATOM 215 NZ LYS C 14 -4.590 8.640 3.973 1.00 0.00 N ATOM 0 H LYS C 14 -0.695 3.195 2.301 1.00 0.00 H new ATOM 0 HA LYS C 14 0.373 4.673 4.629 1.00 0.00 H new ATOM 0 HB2 LYS C 14 -2.423 3.939 3.740 1.00 0.00 H new ATOM 0 HB3 LYS C 14 -2.050 4.507 5.356 1.00 0.00 H new ATOM 0 HG2 LYS C 14 -1.069 6.594 4.342 1.00 0.00 H new ATOM 0 HG3 LYS C 14 -1.586 6.030 2.765 1.00 0.00 H new ATOM 0 HD2 LYS C 14 -3.935 6.031 3.481 1.00 0.00 H new ATOM 0 HD3 LYS C 14 -3.472 6.438 5.122 1.00 0.00 H new ATOM 0 HE2 LYS C 14 -2.502 8.587 4.306 1.00 0.00 H new ATOM 0 HE3 LYS C 14 -2.987 8.180 2.672 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 -4.579 9.648 3.719 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 -5.300 8.145 3.397 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 -4.830 8.540 4.980 1.00 0.00 H new ATOM 229 N ASP C 15 -0.578 2.672 6.215 1.00 0.00 N ATOM 230 CA ASP C 15 -0.503 1.489 7.054 1.00 0.00 C ATOM 231 C ASP C 15 -1.888 1.165 7.623 1.00 0.00 C ATOM 232 O ASP C 15 -2.890 1.685 7.132 1.00 0.00 O ATOM 233 CB ASP C 15 0.572 1.686 8.145 1.00 0.00 C ATOM 234 CG ASP C 15 0.039 1.888 9.555 1.00 0.00 C ATOM 235 OD1 ASP C 15 0.481 1.152 10.461 1.00 0.00 O ATOM 236 OD2 ASP C 15 -0.839 2.750 9.757 1.00 0.00 O ATOM 0 H ASP C 15 -0.915 3.508 6.693 1.00 0.00 H new ATOM 0 HA ASP C 15 -0.196 0.626 6.463 1.00 0.00 H new ATOM 0 HB2 ASP C 15 1.230 0.817 8.144 1.00 0.00 H new ATOM 0 HB3 ASP C 15 1.183 2.549 7.878 1.00 0.00 H new ATOM 241 N ALA C 16 -1.948 0.324 8.646 1.00 0.00 N ATOM 242 CA ALA C 16 -3.218 -0.148 9.189 1.00 0.00 C ATOM 243 C ALA C 16 -4.070 1.004 9.736 1.00 0.00 C ATOM 244 O ALA C 16 -5.295 0.976 9.622 1.00 0.00 O ATOM 245 CB ALA C 16 -2.967 -1.193 10.284 1.00 0.00 C ATOM 0 H ALA C 16 -1.126 -0.049 9.121 1.00 0.00 H new ATOM 0 HA ALA C 16 -3.776 -0.607 8.373 1.00 0.00 H new ATOM 0 HB1 ALA C 16 -3.921 -1.539 10.683 1.00 0.00 H new ATOM 0 HB2 ALA C 16 -2.422 -2.038 9.863 1.00 0.00 H new ATOM 0 HB3 ALA C 16 -2.379 -0.746 11.086 1.00 0.00 H new ATOM 251 N ASP C 17 -3.437 2.013 10.331 1.00 0.00 N ATOM 252 CA ASP C 17 -4.187 3.138 10.896 1.00 0.00 C ATOM 253 C ASP C 17 -3.912 4.450 10.160 1.00 0.00 C ATOM 254 O ASP C 17 -4.623 5.436 10.357 1.00 0.00 O ATOM 255 CB ASP C 17 -3.901 3.303 12.394 1.00 0.00 C ATOM 256 CG ASP C 17 -2.472 3.701 12.708 1.00 0.00 C ATOM 257 OD1 ASP C 17 -1.688 2.819 13.118 1.00 0.00 O ATOM 258 OD2 ASP C 17 -2.136 4.899 12.587 1.00 0.00 O ATOM 0 H ASP C 17 -2.424 2.078 10.435 1.00 0.00 H new ATOM 0 HA ASP C 17 -5.243 2.900 10.764 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -4.575 4.056 12.801 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -4.126 2.365 12.902 1.00 0.00 H new ATOM 263 N GLY C 18 -2.896 4.462 9.312 1.00 0.00 N ATOM 264 CA GLY C 18 -2.609 5.648 8.527 1.00 0.00 C ATOM 265 C GLY C 18 -1.175 6.120 8.672 1.00 0.00 C ATOM 266 O GLY C 18 -0.864 7.278 8.391 1.00 0.00 O ATOM 0 H GLY C 18 -2.266 3.676 9.152 1.00 0.00 H new ATOM 0 HA2 GLY C 18 -2.813 5.440 7.477 1.00 0.00 H new ATOM 0 HA3 GLY C 18 -3.282 6.450 8.830 1.00 0.00 H new ATOM 270 N VAL C 19 -0.306 5.225 9.114 1.00 0.00 N ATOM 271 CA VAL C 19 1.124 5.505 9.186 1.00 0.00 C ATOM 272 C VAL C 19 1.711 5.585 7.778 1.00 0.00 C ATOM 273 O VAL C 19 1.457 4.719 6.943 1.00 0.00 O ATOM 274 CB VAL C 19 1.862 4.416 10.003 1.00 0.00 C ATOM 275 CG1 VAL C 19 3.374 4.549 9.870 1.00 0.00 C ATOM 276 CG2 VAL C 19 1.457 4.487 11.467 1.00 0.00 C ATOM 0 H VAL C 19 -0.566 4.291 9.431 1.00 0.00 H new ATOM 0 HA VAL C 19 1.260 6.462 9.690 1.00 0.00 H new ATOM 0 HB VAL C 19 1.573 3.445 9.600 1.00 0.00 H new ATOM 0 HG11 VAL C 19 3.861 3.769 10.456 1.00 0.00 H new ATOM 0 HG12 VAL C 19 3.658 4.446 8.823 1.00 0.00 H new ATOM 0 HG13 VAL C 19 3.687 5.527 10.236 1.00 0.00 H new ATOM 0 HG21 VAL C 19 1.984 3.715 12.028 1.00 0.00 H new ATOM 0 HG22 VAL C 19 1.714 5.467 11.869 1.00 0.00 H new ATOM 0 HG23 VAL C 19 0.382 4.329 11.555 1.00 0.00 H new ATOM 286 N TYR C 20 2.475 6.636 7.520 1.00 0.00 N ATOM 287 CA TYR C 20 3.070 6.847 6.216 1.00 0.00 C ATOM 288 C TYR C 20 4.344 6.042 6.064 1.00 0.00 C ATOM 289 O TYR C 20 5.146 5.913 6.993 1.00 0.00 O ATOM 290 CB TYR C 20 3.357 8.328 5.997 1.00 0.00 C ATOM 291 CG TYR C 20 4.236 8.634 4.804 1.00 0.00 C ATOM 292 CD1 TYR C 20 3.731 8.608 3.510 1.00 0.00 C ATOM 293 CD2 TYR C 20 5.576 8.953 4.980 1.00 0.00 C ATOM 294 CE1 TYR C 20 4.542 8.889 2.426 1.00 0.00 C ATOM 295 CE2 TYR C 20 6.390 9.236 3.904 1.00 0.00 C ATOM 296 CZ TYR C 20 5.872 9.202 2.631 1.00 0.00 C ATOM 297 OH TYR C 20 6.690 9.482 1.558 1.00 0.00 O ATOM 0 H TYR C 20 2.697 7.359 8.205 1.00 0.00 H new ATOM 0 HA TYR C 20 2.359 6.509 5.462 1.00 0.00 H new ATOM 0 HB2 TYR C 20 2.410 8.853 5.877 1.00 0.00 H new ATOM 0 HB3 TYR C 20 3.832 8.728 6.893 1.00 0.00 H new ATOM 0 HD1 TYR C 20 2.691 8.365 3.349 1.00 0.00 H new ATOM 0 HD2 TYR C 20 5.988 8.980 5.978 1.00 0.00 H new ATOM 0 HE1 TYR C 20 4.138 8.864 1.425 1.00 0.00 H new ATOM 0 HE2 TYR C 20 7.430 9.483 4.060 1.00 0.00 H new ATOM 0 HH TYR C 20 7.513 9.909 1.876 1.00 0.00 H new ATOM 307 N VAL C 21 4.508 5.525 4.872 1.00 0.00 N ATOM 308 CA VAL C 21 5.666 4.719 4.508 1.00 0.00 C ATOM 309 C VAL C 21 6.114 5.085 3.091 1.00 0.00 C ATOM 310 O VAL C 21 5.289 5.356 2.212 1.00 0.00 O ATOM 311 CB VAL C 21 5.377 3.181 4.599 1.00 0.00 C ATOM 312 CG1 VAL C 21 4.509 2.814 5.807 1.00 0.00 C ATOM 313 CG2 VAL C 21 4.731 2.661 3.330 1.00 0.00 C ATOM 0 H VAL C 21 3.838 5.648 4.112 1.00 0.00 H new ATOM 0 HA VAL C 21 6.460 4.937 5.223 1.00 0.00 H new ATOM 0 HB VAL C 21 6.348 2.702 4.727 1.00 0.00 H new ATOM 0 HG11 VAL C 21 4.341 1.737 5.820 1.00 0.00 H new ATOM 0 HG12 VAL C 21 5.017 3.113 6.724 1.00 0.00 H new ATOM 0 HG13 VAL C 21 3.551 3.330 5.737 1.00 0.00 H new ATOM 0 HG21 VAL C 21 4.545 1.592 3.428 1.00 0.00 H new ATOM 0 HG22 VAL C 21 3.787 3.180 3.163 1.00 0.00 H new ATOM 0 HG23 VAL C 21 5.396 2.837 2.485 1.00 0.00 H new ATOM 323 N SER C 22 7.418 5.135 2.891 1.00 0.00 N ATOM 324 CA SER C 22 7.983 5.431 1.587 1.00 0.00 C ATOM 325 C SER C 22 8.381 4.130 0.906 1.00 0.00 C ATOM 326 O SER C 22 8.836 3.201 1.570 1.00 0.00 O ATOM 327 CB SER C 22 9.197 6.350 1.740 1.00 0.00 C ATOM 328 OG SER C 22 8.866 7.508 2.493 1.00 0.00 O ATOM 0 H SER C 22 8.111 4.973 3.622 1.00 0.00 H new ATOM 0 HA SER C 22 7.241 5.942 0.973 1.00 0.00 H new ATOM 0 HB2 SER C 22 10.006 5.811 2.232 1.00 0.00 H new ATOM 0 HB3 SER C 22 9.562 6.644 0.756 1.00 0.00 H new ATOM 0 HG SER C 22 8.104 7.962 2.077 1.00 0.00 H new ATOM 334 N ALA C 23 8.205 4.047 -0.404 1.00 0.00 N ATOM 335 CA ALA C 23 8.480 2.815 -1.109 1.00 0.00 C ATOM 336 C ALA C 23 9.756 2.919 -1.919 1.00 0.00 C ATOM 337 O ALA C 23 9.986 3.889 -2.644 1.00 0.00 O ATOM 338 CB ALA C 23 7.315 2.420 -1.992 1.00 0.00 C ATOM 0 H ALA C 23 7.876 4.813 -0.992 1.00 0.00 H new ATOM 0 HA ALA C 23 8.619 2.033 -0.362 1.00 0.00 H new ATOM 0 HB1 ALA C 23 7.550 1.490 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA C 23 6.425 2.279 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA C 23 7.130 3.206 -2.724 1.00 0.00 H new ATOM 344 N LEU C 24 10.563 1.901 -1.770 1.00 0.00 N ATOM 345 CA LEU C 24 11.846 1.784 -2.433 1.00 0.00 C ATOM 346 C LEU C 24 11.701 0.835 -3.627 1.00 0.00 C ATOM 347 O LEU C 24 11.692 -0.384 -3.454 1.00 0.00 O ATOM 348 CB LEU C 24 12.908 1.235 -1.454 1.00 0.00 C ATOM 349 CG LEU C 24 13.173 2.051 -0.169 1.00 0.00 C ATOM 350 CD1 LEU C 24 11.981 2.020 0.777 1.00 0.00 C ATOM 351 CD2 LEU C 24 14.402 1.516 0.553 1.00 0.00 C ATOM 0 H LEU C 24 10.345 1.106 -1.169 1.00 0.00 H new ATOM 0 HA LEU C 24 12.168 2.767 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU C 24 12.608 0.229 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU C 24 13.850 1.141 -1.995 1.00 0.00 H new ATOM 0 HG LEU C 24 13.342 3.084 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU C 24 12.208 2.605 1.668 1.00 0.00 H new ATOM 0 HD12 LEU C 24 11.109 2.443 0.278 1.00 0.00 H new ATOM 0 HD13 LEU C 24 11.771 0.990 1.064 1.00 0.00 H new ATOM 0 HD21 LEU C 24 14.577 2.101 1.456 1.00 0.00 H new ATOM 0 HD22 LEU C 24 14.240 0.472 0.822 1.00 0.00 H new ATOM 0 HD23 LEU C 24 15.270 1.592 -0.102 1.00 0.00 H new ATOM 363 N PRO C 25 11.556 1.376 -4.850 1.00 0.00 N ATOM 364 CA PRO C 25 11.343 0.564 -6.058 1.00 0.00 C ATOM 365 C PRO C 25 12.545 -0.319 -6.384 1.00 0.00 C ATOM 366 O PRO C 25 13.569 0.171 -6.869 1.00 0.00 O ATOM 367 CB PRO C 25 11.133 1.602 -7.169 1.00 0.00 C ATOM 368 CG PRO C 25 10.848 2.885 -6.464 1.00 0.00 C ATOM 369 CD PRO C 25 11.585 2.812 -5.159 1.00 0.00 C ATOM 0 HA PRO C 25 10.504 -0.121 -5.935 1.00 0.00 H new ATOM 0 HB2 PRO C 25 12.019 1.688 -7.799 1.00 0.00 H new ATOM 0 HB3 PRO C 25 10.306 1.319 -7.820 1.00 0.00 H new ATOM 0 HG2 PRO C 25 11.183 3.738 -7.054 1.00 0.00 H new ATOM 0 HG3 PRO C 25 9.778 3.011 -6.301 1.00 0.00 H new ATOM 0 HD2 PRO C 25 12.605 3.186 -5.249 1.00 0.00 H new ATOM 0 HD3 PRO C 25 11.096 3.403 -4.384 1.00 0.00 H new ATOM 377 N ILE C 26 12.410 -1.617 -6.123 1.00 0.00 N ATOM 378 CA ILE C 26 13.505 -2.560 -6.318 1.00 0.00 C ATOM 379 C ILE C 26 13.735 -2.815 -7.803 1.00 0.00 C ATOM 380 O ILE C 26 12.904 -3.434 -8.472 1.00 0.00 O ATOM 381 CB ILE C 26 13.231 -3.915 -5.625 1.00 0.00 C ATOM 382 CG1 ILE C 26 12.675 -3.706 -4.209 1.00 0.00 C ATOM 383 CG2 ILE C 26 14.512 -4.740 -5.582 1.00 0.00 C ATOM 384 CD1 ILE C 26 12.221 -4.986 -3.529 1.00 0.00 C ATOM 0 H ILE C 26 11.549 -2.040 -5.775 1.00 0.00 H new ATOM 0 HA ILE C 26 14.390 -2.108 -5.871 1.00 0.00 H new ATOM 0 HB ILE C 26 12.479 -4.455 -6.201 1.00 0.00 H new ATOM 0 HG12 ILE C 26 13.441 -3.232 -3.595 1.00 0.00 H new ATOM 0 HG13 ILE C 26 11.834 -3.015 -4.258 1.00 0.00 H new ATOM 0 HG21 ILE C 26 14.314 -5.694 -5.093 1.00 0.00 H new ATOM 0 HG22 ILE C 26 14.864 -4.919 -6.598 1.00 0.00 H new ATOM 0 HG23 ILE C 26 15.275 -4.198 -5.024 1.00 0.00 H new ATOM 0 HD11 ILE C 26 11.842 -4.754 -2.534 1.00 0.00 H new ATOM 0 HD12 ILE C 26 11.431 -5.451 -4.119 1.00 0.00 H new ATOM 0 HD13 ILE C 26 13.064 -5.672 -3.445 1.00 0.00 H new ATOM 396 N LYS C 27 14.859 -2.335 -8.310 1.00 0.00 N ATOM 397 CA LYS C 27 15.199 -2.511 -9.712 1.00 0.00 C ATOM 398 C LYS C 27 16.155 -3.686 -9.898 1.00 0.00 C ATOM 399 O LYS C 27 15.988 -4.500 -10.807 1.00 0.00 O ATOM 400 CB LYS C 27 15.816 -1.223 -10.264 1.00 0.00 C ATOM 401 CG LYS C 27 16.360 -1.364 -11.675 1.00 0.00 C ATOM 402 CD LYS C 27 16.792 -0.018 -12.230 1.00 0.00 C ATOM 403 CE LYS C 27 17.356 -0.145 -13.633 1.00 0.00 C ATOM 404 NZ LYS C 27 18.565 -1.004 -13.664 1.00 0.00 N ATOM 0 H LYS C 27 15.553 -1.819 -7.769 1.00 0.00 H new ATOM 0 HA LYS C 27 14.286 -2.732 -10.265 1.00 0.00 H new ATOM 0 HB2 LYS C 27 15.063 -0.435 -10.251 1.00 0.00 H new ATOM 0 HB3 LYS C 27 16.622 -0.904 -9.603 1.00 0.00 H new ATOM 0 HG2 LYS C 27 17.207 -2.050 -11.675 1.00 0.00 H new ATOM 0 HG3 LYS C 27 15.597 -1.800 -12.321 1.00 0.00 H new ATOM 0 HD2 LYS C 27 15.940 0.662 -12.240 1.00 0.00 H new ATOM 0 HD3 LYS C 27 17.543 0.422 -11.574 1.00 0.00 H new ATOM 0 HE2 LYS C 27 16.596 -0.562 -14.294 1.00 0.00 H new ATOM 0 HE3 LYS C 27 17.603 0.845 -14.017 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 19.110 -0.806 -14.528 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 19.154 -0.805 -12.830 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 18.280 -2.004 -13.656 1.00 0.00 H new ATOM 418 N ALA C 28 17.151 -3.771 -9.028 1.00 0.00 N ATOM 419 CA ALA C 28 18.140 -4.835 -9.103 1.00 0.00 C ATOM 420 C ALA C 28 18.869 -4.979 -7.777 1.00 0.00 C ATOM 421 O ALA C 28 18.820 -4.080 -6.939 1.00 0.00 O ATOM 422 CB ALA C 28 19.134 -4.556 -10.221 1.00 0.00 C ATOM 0 H ALA C 28 17.295 -3.114 -8.261 1.00 0.00 H new ATOM 0 HA ALA C 28 17.624 -5.770 -9.319 1.00 0.00 H new ATOM 0 HB1 ALA C 28 19.868 -5.361 -10.265 1.00 0.00 H new ATOM 0 HB2 ALA C 28 18.605 -4.496 -11.172 1.00 0.00 H new ATOM 0 HB3 ALA C 28 19.643 -3.611 -10.028 1.00 0.00 H new ATOM 428 N ILE C 29 19.523 -6.115 -7.582 1.00 0.00 N ATOM 429 CA ILE C 29 20.339 -6.333 -6.398 1.00 0.00 C ATOM 430 C ILE C 29 21.621 -7.056 -6.770 1.00 0.00 C ATOM 431 O ILE C 29 21.612 -8.029 -7.518 1.00 0.00 O ATOM 432 CB ILE C 29 19.587 -7.137 -5.300 1.00 0.00 C ATOM 433 CG1 ILE C 29 18.451 -6.311 -4.693 1.00 0.00 C ATOM 434 CG2 ILE C 29 20.546 -7.574 -4.198 1.00 0.00 C ATOM 435 CD1 ILE C 29 17.425 -7.143 -3.958 1.00 0.00 C ATOM 0 H ILE C 29 19.504 -6.902 -8.231 1.00 0.00 H new ATOM 0 HA ILE C 29 20.572 -5.351 -5.987 1.00 0.00 H new ATOM 0 HB ILE C 29 19.162 -8.022 -5.774 1.00 0.00 H new ATOM 0 HG12 ILE C 29 18.873 -5.578 -4.005 1.00 0.00 H new ATOM 0 HG13 ILE C 29 17.954 -5.754 -5.487 1.00 0.00 H new ATOM 0 HG21 ILE C 29 19.998 -8.135 -3.441 1.00 0.00 H new ATOM 0 HG22 ILE C 29 21.326 -8.205 -4.624 1.00 0.00 H new ATOM 0 HG23 ILE C 29 21.000 -6.695 -3.741 1.00 0.00 H new ATOM 0 HD11 ILE C 29 16.650 -6.492 -3.554 1.00 0.00 H new ATOM 0 HD12 ILE C 29 16.975 -7.858 -4.647 1.00 0.00 H new ATOM 0 HD13 ILE C 29 17.909 -7.680 -3.142 1.00 0.00 H new ATOM 447 N LYS C 30 22.718 -6.560 -6.238 1.00 0.00 N ATOM 448 CA LYS C 30 24.027 -7.130 -6.519 1.00 0.00 C ATOM 449 C LYS C 30 24.373 -8.188 -5.483 1.00 0.00 C ATOM 450 O LYS C 30 24.953 -7.881 -4.444 1.00 0.00 O ATOM 451 CB LYS C 30 25.100 -6.038 -6.529 1.00 0.00 C ATOM 452 CG LYS C 30 24.930 -4.997 -7.634 1.00 0.00 C ATOM 453 CD LYS C 30 25.690 -5.365 -8.905 1.00 0.00 C ATOM 454 CE LYS C 30 25.128 -6.608 -9.573 1.00 0.00 C ATOM 455 NZ LYS C 30 25.805 -6.900 -10.861 1.00 0.00 N ATOM 0 H LYS C 30 22.733 -5.760 -5.605 1.00 0.00 H new ATOM 0 HA LYS C 30 23.994 -7.595 -7.504 1.00 0.00 H new ATOM 0 HB2 LYS C 30 25.094 -5.531 -5.564 1.00 0.00 H new ATOM 0 HB3 LYS C 30 26.078 -6.507 -6.636 1.00 0.00 H new ATOM 0 HG2 LYS C 30 23.871 -4.888 -7.867 1.00 0.00 H new ATOM 0 HG3 LYS C 30 25.278 -4.029 -7.274 1.00 0.00 H new ATOM 0 HD2 LYS C 30 25.650 -4.530 -9.604 1.00 0.00 H new ATOM 0 HD3 LYS C 30 26.740 -5.528 -8.663 1.00 0.00 H new ATOM 0 HE2 LYS C 30 25.239 -7.461 -8.904 1.00 0.00 H new ATOM 0 HE3 LYS C 30 24.060 -6.475 -9.746 1.00 0.00 H new ATOM 0 HZ1 LYS C 30 25.392 -7.756 -11.284 1.00 0.00 H new ATOM 0 HZ2 LYS C 30 25.678 -6.097 -11.510 1.00 0.00 H new ATOM 0 HZ3 LYS C 30 26.820 -7.052 -10.693 1.00 0.00 H new ATOM 469 N TYR C 31 24.000 -9.426 -5.764 1.00 0.00 N ATOM 470 CA TYR C 31 24.266 -10.534 -4.860 1.00 0.00 C ATOM 471 C TYR C 31 25.728 -10.950 -4.951 1.00 0.00 C ATOM 472 O TYR C 31 26.133 -11.650 -5.881 1.00 0.00 O ATOM 473 CB TYR C 31 23.359 -11.726 -5.182 1.00 0.00 C ATOM 474 CG TYR C 31 21.879 -11.440 -5.025 1.00 0.00 C ATOM 475 CD1 TYR C 31 21.094 -11.113 -6.123 1.00 0.00 C ATOM 476 CD2 TYR C 31 21.268 -11.502 -3.779 1.00 0.00 C ATOM 477 CE1 TYR C 31 19.742 -10.857 -5.985 1.00 0.00 C ATOM 478 CE2 TYR C 31 19.917 -11.247 -3.633 1.00 0.00 C ATOM 479 CZ TYR C 31 19.158 -10.925 -4.738 1.00 0.00 C ATOM 480 OH TYR C 31 17.812 -10.668 -4.595 1.00 0.00 O ATOM 0 H TYR C 31 23.508 -9.690 -6.618 1.00 0.00 H new ATOM 0 HA TYR C 31 24.055 -10.204 -3.843 1.00 0.00 H new ATOM 0 HB2 TYR C 31 23.549 -12.047 -6.206 1.00 0.00 H new ATOM 0 HB3 TYR C 31 23.628 -12.559 -4.532 1.00 0.00 H new ATOM 0 HD1 TYR C 31 21.547 -11.058 -7.102 1.00 0.00 H new ATOM 0 HD2 TYR C 31 21.858 -11.754 -2.910 1.00 0.00 H new ATOM 0 HE1 TYR C 31 19.146 -10.605 -6.850 1.00 0.00 H new ATOM 0 HE2 TYR C 31 19.458 -11.300 -2.657 1.00 0.00 H new ATOM 0 HH TYR C 31 17.560 -10.760 -3.652 1.00 0.00 H new ATOM 490 N ALA C 32 26.514 -10.516 -3.980 1.00 0.00 N ATOM 491 CA ALA C 32 27.925 -10.796 -3.948 1.00 0.00 C ATOM 492 C ALA C 32 28.189 -12.089 -3.199 1.00 0.00 C ATOM 493 O ALA C 32 27.568 -12.381 -2.175 1.00 0.00 O ATOM 494 CB ALA C 32 28.673 -9.640 -3.310 1.00 0.00 C ATOM 0 H ALA C 32 26.183 -9.958 -3.193 1.00 0.00 H new ATOM 0 HA ALA C 32 28.285 -10.915 -4.970 1.00 0.00 H new ATOM 0 HB1 ALA C 32 29.740 -9.863 -3.291 1.00 0.00 H new ATOM 0 HB2 ALA C 32 28.502 -8.732 -3.889 1.00 0.00 H new ATOM 0 HB3 ALA C 32 28.315 -9.493 -2.291 1.00 0.00 H new ATOM 500 N ASN C 33 29.120 -12.844 -3.734 1.00 0.00 N ATOM 501 CA ASN C 33 29.456 -14.179 -3.236 1.00 0.00 C ATOM 502 C ASN C 33 30.012 -14.161 -1.813 1.00 0.00 C ATOM 503 O ASN C 33 30.032 -15.195 -1.144 1.00 0.00 O ATOM 504 CB ASN C 33 30.461 -14.853 -4.174 1.00 0.00 C ATOM 505 CG ASN C 33 31.651 -13.980 -4.485 1.00 0.00 C ATOM 506 OD1 ASN C 33 31.620 -13.184 -5.423 1.00 0.00 O ATOM 507 ND2 ASN C 33 32.704 -14.120 -3.715 1.00 0.00 N ATOM 0 H ASN C 33 29.678 -12.555 -4.537 1.00 0.00 H new ATOM 0 HA ASN C 33 28.526 -14.747 -3.211 1.00 0.00 H new ATOM 0 HB2 ASN C 33 30.807 -15.782 -3.721 1.00 0.00 H new ATOM 0 HB3 ASN C 33 29.960 -15.120 -5.104 1.00 0.00 H new ATOM 0 HD21 ASN C 33 33.538 -13.557 -3.884 1.00 0.00 H new ATOM 0 HD22 ASN C 33 32.689 -14.792 -2.947 1.00 0.00 H new ATOM 514 N ASP C 34 30.465 -13.000 -1.350 1.00 0.00 N ATOM 515 CA ASP C 34 30.990 -12.881 0.012 1.00 0.00 C ATOM 516 C ASP C 34 29.866 -12.961 1.033 1.00 0.00 C ATOM 517 O ASP C 34 30.107 -13.209 2.215 1.00 0.00 O ATOM 518 CB ASP C 34 31.760 -11.570 0.206 1.00 0.00 C ATOM 519 CG ASP C 34 30.870 -10.343 0.164 1.00 0.00 C ATOM 520 OD1 ASP C 34 30.891 -9.632 -0.864 1.00 0.00 O ATOM 521 OD2 ASP C 34 30.155 -10.077 1.156 1.00 0.00 O ATOM 0 H ASP C 34 30.481 -12.134 -1.889 1.00 0.00 H new ATOM 0 HA ASP C 34 31.677 -13.714 0.164 1.00 0.00 H new ATOM 0 HB2 ASP C 34 32.281 -11.600 1.163 1.00 0.00 H new ATOM 0 HB3 ASP C 34 32.522 -11.485 -0.569 1.00 0.00 H new ATOM 526 N GLY C 35 28.644 -12.738 0.574 1.00 0.00 N ATOM 527 CA GLY C 35 27.502 -12.780 1.456 1.00 0.00 C ATOM 528 C GLY C 35 26.673 -11.519 1.372 1.00 0.00 C ATOM 529 O GLY C 35 25.448 -11.579 1.255 1.00 0.00 O ATOM 0 H GLY C 35 28.425 -12.528 -0.400 1.00 0.00 H new ATOM 0 HA2 GLY C 35 26.881 -13.639 1.204 1.00 0.00 H new ATOM 0 HA3 GLY C 35 27.842 -12.923 2.482 1.00 0.00 H new ATOM 533 N SER C 36 27.337 -10.373 1.440 1.00 0.00 N ATOM 534 CA SER C 36 26.656 -9.090 1.357 1.00 0.00 C ATOM 535 C SER C 36 26.131 -8.841 -0.053 1.00 0.00 C ATOM 536 O SER C 36 26.345 -9.640 -0.967 1.00 0.00 O ATOM 537 CB SER C 36 27.597 -7.960 1.780 1.00 0.00 C ATOM 538 OG SER C 36 28.763 -7.917 0.975 1.00 0.00 O ATOM 0 H SER C 36 28.349 -10.307 1.553 1.00 0.00 H new ATOM 0 HA SER C 36 25.805 -9.113 2.038 1.00 0.00 H new ATOM 0 HB2 SER C 36 27.073 -7.006 1.712 1.00 0.00 H new ATOM 0 HB3 SER C 36 27.881 -8.095 2.824 1.00 0.00 H new ATOM 0 HG SER C 36 29.415 -8.568 1.309 1.00 0.00 H new ATOM 544 N ALA C 37 25.438 -7.732 -0.215 1.00 0.00 N ATOM 545 CA ALA C 37 24.839 -7.372 -1.485 1.00 0.00 C ATOM 546 C ALA C 37 24.669 -5.869 -1.543 1.00 0.00 C ATOM 547 O ALA C 37 25.301 -5.154 -0.766 1.00 0.00 O ATOM 548 CB ALA C 37 23.497 -8.076 -1.648 1.00 0.00 C ATOM 0 H ALA C 37 25.274 -7.055 0.530 1.00 0.00 H new ATOM 0 HA ALA C 37 25.487 -7.688 -2.302 1.00 0.00 H new ATOM 0 HB1 ALA C 37 23.055 -7.799 -2.605 1.00 0.00 H new ATOM 0 HB2 ALA C 37 23.646 -9.155 -1.616 1.00 0.00 H new ATOM 0 HB3 ALA C 37 22.829 -7.778 -0.840 1.00 0.00 H new ATOM 554 N ASN C 38 23.860 -5.388 -2.478 1.00 0.00 N ATOM 555 CA ASN C 38 23.423 -4.001 -2.466 1.00 0.00 C ATOM 556 C ASN C 38 22.272 -3.807 -3.436 1.00 0.00 C ATOM 557 O ASN C 38 22.207 -4.468 -4.474 1.00 0.00 O ATOM 558 CB ASN C 38 24.575 -3.033 -2.749 1.00 0.00 C ATOM 559 CG ASN C 38 24.793 -2.730 -4.221 1.00 0.00 C ATOM 560 OD1 ASN C 38 25.745 -3.416 -4.829 1.00 0.00 O flip ATOM 561 ND2 ASN C 38 24.138 -1.860 -4.792 1.00 0.00 N flip ATOM 0 H ASN C 38 23.494 -5.939 -3.254 1.00 0.00 H new ATOM 0 HA ASN C 38 23.068 -3.767 -1.462 1.00 0.00 H new ATOM 0 HB2 ASN C 38 24.385 -2.098 -2.222 1.00 0.00 H new ATOM 0 HB3 ASN C 38 25.494 -3.450 -2.337 1.00 0.00 H new ATOM 0 HD21 ASN C 38 23.412 -1.354 -4.286 1.00 0.00 H new ATOM 0 HD22 ASN C 38 24.321 -1.645 -5.772 1.00 0.00 H new ATOM 568 N ALA C 39 21.347 -2.925 -3.075 1.00 0.00 N ATOM 569 CA ALA C 39 20.113 -2.776 -3.831 1.00 0.00 C ATOM 570 C ALA C 39 20.107 -1.540 -4.710 1.00 0.00 C ATOM 571 O ALA C 39 20.486 -0.460 -4.278 1.00 0.00 O ATOM 572 CB ALA C 39 18.915 -2.759 -2.897 1.00 0.00 C ATOM 0 H ALA C 39 21.429 -2.306 -2.268 1.00 0.00 H new ATOM 0 HA ALA C 39 20.047 -3.639 -4.493 1.00 0.00 H new ATOM 0 HB1 ALA C 39 18.001 -2.647 -3.480 1.00 0.00 H new ATOM 0 HB2 ALA C 39 18.876 -3.694 -2.338 1.00 0.00 H new ATOM 0 HB3 ALA C 39 19.007 -1.924 -2.202 1.00 0.00 H new ATOM 578 N GLU C 40 19.654 -1.721 -5.942 1.00 0.00 N ATOM 579 CA GLU C 40 19.515 -0.629 -6.892 1.00 0.00 C ATOM 580 C GLU C 40 18.042 -0.220 -6.988 1.00 0.00 C ATOM 581 O GLU C 40 17.191 -1.044 -7.337 1.00 0.00 O ATOM 582 CB GLU C 40 20.045 -1.059 -8.267 1.00 0.00 C ATOM 583 CG GLU C 40 20.002 0.042 -9.314 1.00 0.00 C ATOM 584 CD GLU C 40 20.724 -0.341 -10.591 1.00 0.00 C ATOM 585 OE1 GLU C 40 21.957 -0.155 -10.661 1.00 0.00 O ATOM 586 OE2 GLU C 40 20.065 -0.828 -11.530 1.00 0.00 O ATOM 0 H GLU C 40 19.373 -2.630 -6.310 1.00 0.00 H new ATOM 0 HA GLU C 40 20.098 0.226 -6.551 1.00 0.00 H new ATOM 0 HB2 GLU C 40 21.073 -1.403 -8.158 1.00 0.00 H new ATOM 0 HB3 GLU C 40 19.460 -1.908 -8.622 1.00 0.00 H new ATOM 0 HG2 GLU C 40 18.963 0.279 -9.545 1.00 0.00 H new ATOM 0 HG3 GLU C 40 20.451 0.946 -8.904 1.00 0.00 H new ATOM 593 N PHE C 41 17.732 1.032 -6.658 1.00 0.00 N ATOM 594 CA PHE C 41 16.356 1.507 -6.684 1.00 0.00 C ATOM 595 C PHE C 41 16.159 2.531 -7.797 1.00 0.00 C ATOM 596 O PHE C 41 17.050 3.325 -8.096 1.00 0.00 O ATOM 597 CB PHE C 41 15.973 2.117 -5.331 1.00 0.00 C ATOM 598 CG PHE C 41 16.031 1.140 -4.186 1.00 0.00 C ATOM 599 CD1 PHE C 41 16.867 1.366 -3.105 1.00 0.00 C ATOM 600 CD2 PHE C 41 15.253 -0.005 -4.194 1.00 0.00 C ATOM 601 CE1 PHE C 41 16.925 0.468 -2.056 1.00 0.00 C ATOM 602 CE2 PHE C 41 15.306 -0.906 -3.149 1.00 0.00 C ATOM 603 CZ PHE C 41 16.143 -0.669 -2.078 1.00 0.00 C ATOM 0 H PHE C 41 18.416 1.732 -6.370 1.00 0.00 H new ATOM 0 HA PHE C 41 15.706 0.654 -6.880 1.00 0.00 H new ATOM 0 HB2 PHE C 41 16.640 2.952 -5.118 1.00 0.00 H new ATOM 0 HB3 PHE C 41 14.964 2.524 -5.399 1.00 0.00 H new ATOM 0 HD1 PHE C 41 17.481 2.254 -3.082 1.00 0.00 H new ATOM 0 HD2 PHE C 41 14.595 -0.196 -5.029 1.00 0.00 H new ATOM 0 HE1 PHE C 41 17.582 0.656 -1.220 1.00 0.00 H new ATOM 0 HE2 PHE C 41 14.693 -1.795 -3.170 1.00 0.00 H new ATOM 0 HZ PHE C 41 16.186 -1.372 -1.259 1.00 0.00 H new ATOM 613 N ASP C 42 14.981 2.495 -8.408 1.00 0.00 N ATOM 614 CA ASP C 42 14.663 3.361 -9.543 1.00 0.00 C ATOM 615 C ASP C 42 14.312 4.770 -9.094 1.00 0.00 C ATOM 616 O ASP C 42 14.489 5.735 -9.836 1.00 0.00 O ATOM 617 CB ASP C 42 13.509 2.755 -10.350 1.00 0.00 C ATOM 618 CG ASP C 42 13.079 3.622 -11.516 1.00 0.00 C ATOM 619 OD1 ASP C 42 12.016 4.270 -11.420 1.00 0.00 O ATOM 620 OD2 ASP C 42 13.798 3.655 -12.537 1.00 0.00 O ATOM 0 H ASP C 42 14.222 1.870 -8.135 1.00 0.00 H new ATOM 0 HA ASP C 42 15.549 3.431 -10.173 1.00 0.00 H new ATOM 0 HB2 ASP C 42 13.810 1.776 -10.724 1.00 0.00 H new ATOM 0 HB3 ASP C 42 12.656 2.595 -9.690 1.00 0.00 H new ATOM 625 N GLY C 43 13.833 4.881 -7.874 1.00 0.00 N ATOM 626 CA GLY C 43 13.501 6.179 -7.329 1.00 0.00 C ATOM 627 C GLY C 43 14.701 6.831 -6.680 1.00 0.00 C ATOM 628 O GLY C 43 15.789 6.251 -6.687 1.00 0.00 O ATOM 0 H GLY C 43 13.666 4.095 -7.245 1.00 0.00 H new ATOM 0 HA2 GLY C 43 13.121 6.822 -8.123 1.00 0.00 H new ATOM 0 HA3 GLY C 43 12.702 6.073 -6.595 1.00 0.00 H new ATOM 632 N PRO C 44 14.540 8.034 -6.109 1.00 0.00 N ATOM 633 CA PRO C 44 15.622 8.725 -5.398 1.00 0.00 C ATOM 634 C PRO C 44 15.921 8.064 -4.054 1.00 0.00 C ATOM 635 O PRO C 44 15.666 8.630 -2.988 1.00 0.00 O ATOM 636 CB PRO C 44 15.066 10.135 -5.199 1.00 0.00 C ATOM 637 CG PRO C 44 13.588 9.952 -5.169 1.00 0.00 C ATOM 638 CD PRO C 44 13.292 8.820 -6.113 1.00 0.00 C ATOM 0 HA PRO C 44 16.564 8.705 -5.945 1.00 0.00 H new ATOM 0 HB2 PRO C 44 15.430 10.578 -4.272 1.00 0.00 H new ATOM 0 HB3 PRO C 44 15.367 10.799 -6.009 1.00 0.00 H new ATOM 0 HG2 PRO C 44 13.244 9.720 -4.161 1.00 0.00 H new ATOM 0 HG3 PRO C 44 13.076 10.863 -5.479 1.00 0.00 H new ATOM 0 HD2 PRO C 44 12.443 8.227 -5.774 1.00 0.00 H new ATOM 0 HD3 PRO C 44 13.049 9.183 -7.112 1.00 0.00 H new ATOM 646 N TYR C 45 16.445 6.851 -4.119 1.00 0.00 N ATOM 647 CA TYR C 45 16.679 6.047 -2.936 1.00 0.00 C ATOM 648 C TYR C 45 18.045 5.378 -3.000 1.00 0.00 C ATOM 649 O TYR C 45 18.827 5.646 -3.913 1.00 0.00 O ATOM 650 CB TYR C 45 15.573 4.999 -2.766 1.00 0.00 C ATOM 651 CG TYR C 45 14.215 5.592 -2.449 1.00 0.00 C ATOM 652 CD1 TYR C 45 13.314 5.897 -3.462 1.00 0.00 C ATOM 653 CD2 TYR C 45 13.840 5.861 -1.137 1.00 0.00 C ATOM 654 CE1 TYR C 45 12.083 6.454 -3.179 1.00 0.00 C ATOM 655 CE2 TYR C 45 12.608 6.415 -0.847 1.00 0.00 C ATOM 656 CZ TYR C 45 11.735 6.711 -1.871 1.00 0.00 C ATOM 657 OH TYR C 45 10.511 7.275 -1.586 1.00 0.00 O ATOM 0 H TYR C 45 16.719 6.399 -4.992 1.00 0.00 H new ATOM 0 HA TYR C 45 16.662 6.707 -2.068 1.00 0.00 H new ATOM 0 HB2 TYR C 45 15.498 4.411 -3.681 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.855 4.312 -1.968 1.00 0.00 H new ATOM 0 HD1 TYR C 45 13.581 5.695 -4.489 1.00 0.00 H new ATOM 0 HD2 TYR C 45 14.523 5.633 -0.332 1.00 0.00 H new ATOM 0 HE1 TYR C 45 11.396 6.687 -3.979 1.00 0.00 H new ATOM 0 HE2 TYR C 45 12.331 6.615 0.177 1.00 0.00 H new ATOM 0 HH TYR C 45 9.860 7.004 -2.266 1.00 0.00 H new ATOM 667 N ALA C 46 18.320 4.526 -2.024 1.00 0.00 N ATOM 668 CA ALA C 46 19.634 3.912 -1.861 1.00 0.00 C ATOM 669 C ALA C 46 20.091 3.098 -3.074 1.00 0.00 C ATOM 670 O ALA C 46 19.328 2.812 -4.005 1.00 0.00 O ATOM 671 CB ALA C 46 19.641 3.029 -0.621 1.00 0.00 C ATOM 0 H ALA C 46 17.639 4.239 -1.321 1.00 0.00 H new ATOM 0 HA ALA C 46 20.343 4.733 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA C 46 20.624 2.573 -0.504 1.00 0.00 H new ATOM 0 HB2 ALA C 46 19.415 3.633 0.257 1.00 0.00 H new ATOM 0 HB3 ALA C 46 18.889 2.247 -0.727 1.00 0.00 H new ATOM 677 N ASP C 47 21.364 2.743 -3.035 1.00 0.00 N ATOM 678 CA ASP C 47 21.996 1.912 -4.046 1.00 0.00 C ATOM 679 C ASP C 47 23.080 1.089 -3.368 1.00 0.00 C ATOM 680 O ASP C 47 24.222 1.029 -3.825 1.00 0.00 O ATOM 681 CB ASP C 47 22.591 2.779 -5.167 1.00 0.00 C ATOM 682 CG ASP C 47 23.710 3.697 -4.694 1.00 0.00 C ATOM 683 OD1 ASP C 47 23.520 4.419 -3.692 1.00 0.00 O ATOM 684 OD2 ASP C 47 24.781 3.719 -5.337 1.00 0.00 O ATOM 0 H ASP C 47 21.998 3.028 -2.288 1.00 0.00 H new ATOM 0 HA ASP C 47 21.258 1.253 -4.503 1.00 0.00 H new ATOM 0 HB2 ASP C 47 22.973 2.129 -5.954 1.00 0.00 H new ATOM 0 HB3 ASP C 47 21.798 3.383 -5.608 1.00 0.00 H new ATOM 689 N GLN C 48 22.703 0.416 -2.285 1.00 0.00 N ATOM 690 CA GLN C 48 23.682 0.002 -1.286 1.00 0.00 C ATOM 691 C GLN C 48 23.159 -1.068 -0.333 1.00 0.00 C ATOM 692 O GLN C 48 21.978 -1.091 0.015 1.00 0.00 O ATOM 693 CB GLN C 48 24.105 1.214 -0.453 1.00 0.00 C ATOM 694 CG GLN C 48 25.194 2.065 -1.083 1.00 0.00 C ATOM 695 CD GLN C 48 25.253 3.446 -0.471 1.00 0.00 C ATOM 696 OE1 GLN C 48 25.921 3.663 0.540 1.00 0.00 O ATOM 697 NE2 GLN C 48 24.572 4.392 -1.093 1.00 0.00 N ATOM 0 H GLN C 48 21.741 0.149 -2.078 1.00 0.00 H new ATOM 0 HA GLN C 48 24.521 -0.424 -1.837 1.00 0.00 H new ATOM 0 HB2 GLN C 48 23.230 1.840 -0.276 1.00 0.00 H new ATOM 0 HB3 GLN C 48 24.451 0.866 0.520 1.00 0.00 H new ATOM 0 HG2 GLN C 48 26.158 1.571 -0.959 1.00 0.00 H new ATOM 0 HG3 GLN C 48 25.014 2.150 -2.155 1.00 0.00 H new ATOM 0 HE21 GLN C 48 24.032 4.166 -1.928 1.00 0.00 H new ATOM 0 HE22 GLN C 48 24.586 5.348 -0.738 1.00 0.00 H new ATOM 706 N TYR C 49 24.063 -1.964 0.045 1.00 0.00 N ATOM 707 CA TYR C 49 23.927 -2.812 1.222 1.00 0.00 C ATOM 708 C TYR C 49 25.333 -3.057 1.761 1.00 0.00 C ATOM 709 O TYR C 49 26.274 -2.385 1.328 1.00 0.00 O ATOM 710 CB TYR C 49 23.233 -4.157 0.955 1.00 0.00 C ATOM 711 CG TYR C 49 21.721 -4.102 0.874 1.00 0.00 C ATOM 712 CD1 TYR C 49 21.038 -4.770 -0.134 1.00 0.00 C ATOM 713 CD2 TYR C 49 20.977 -3.403 1.817 1.00 0.00 C ATOM 714 CE1 TYR C 49 19.660 -4.740 -0.203 1.00 0.00 C ATOM 715 CE2 TYR C 49 19.597 -3.367 1.753 1.00 0.00 C ATOM 716 CZ TYR C 49 18.944 -4.036 0.741 1.00 0.00 C ATOM 717 OH TYR C 49 17.571 -4.006 0.671 1.00 0.00 O ATOM 0 H TYR C 49 24.929 -2.124 -0.469 1.00 0.00 H new ATOM 0 HA TYR C 49 23.286 -2.296 1.937 1.00 0.00 H new ATOM 0 HB2 TYR C 49 23.616 -4.565 0.019 1.00 0.00 H new ATOM 0 HB3 TYR C 49 23.513 -4.854 1.745 1.00 0.00 H new ATOM 0 HD1 TYR C 49 21.595 -5.322 -0.877 1.00 0.00 H new ATOM 0 HD2 TYR C 49 21.486 -2.879 2.613 1.00 0.00 H new ATOM 0 HE1 TYR C 49 19.145 -5.266 -0.993 1.00 0.00 H new ATOM 0 HE2 TYR C 49 19.033 -2.817 2.492 1.00 0.00 H new ATOM 0 HH TYR C 49 17.217 -3.468 1.410 1.00 0.00 H new ATOM 727 N MET C 50 25.493 -4.019 2.671 1.00 0.00 N ATOM 728 CA MET C 50 26.806 -4.295 3.260 1.00 0.00 C ATOM 729 C MET C 50 26.740 -5.446 4.249 1.00 0.00 C ATOM 730 O MET C 50 27.563 -6.352 4.214 1.00 0.00 O ATOM 731 CB MET C 50 27.377 -3.057 3.959 1.00 0.00 C ATOM 732 CG MET C 50 28.776 -3.276 4.511 1.00 0.00 C ATOM 733 SD MET C 50 29.487 -1.787 5.232 1.00 0.00 S ATOM 734 CE MET C 50 31.098 -2.391 5.731 1.00 0.00 C ATOM 0 H MET C 50 24.739 -4.615 3.014 1.00 0.00 H new ATOM 0 HA MET C 50 27.466 -4.573 2.438 1.00 0.00 H new ATOM 0 HB2 MET C 50 27.397 -2.226 3.254 1.00 0.00 H new ATOM 0 HB3 MET C 50 26.713 -2.768 4.773 1.00 0.00 H new ATOM 0 HG2 MET C 50 28.744 -4.060 5.268 1.00 0.00 H new ATOM 0 HG3 MET C 50 29.425 -3.632 3.711 1.00 0.00 H new ATOM 0 HE1 MET C 50 31.662 -1.582 6.196 1.00 0.00 H new ATOM 0 HE2 MET C 50 30.976 -3.206 6.445 1.00 0.00 H new ATOM 0 HE3 MET C 50 31.638 -2.753 4.856 1.00 0.00 H new ATOM 744 N SER C 51 25.767 -5.409 5.134 1.00 0.00 N ATOM 745 CA SER C 51 25.645 -6.440 6.147 1.00 0.00 C ATOM 746 C SER C 51 24.843 -7.635 5.635 1.00 0.00 C ATOM 747 O SER C 51 23.622 -7.573 5.496 1.00 0.00 O ATOM 748 CB SER C 51 25.015 -5.859 7.403 1.00 0.00 C ATOM 749 OG SER C 51 23.952 -4.981 7.080 1.00 0.00 O ATOM 0 H SER C 51 25.052 -4.682 5.175 1.00 0.00 H new ATOM 0 HA SER C 51 26.644 -6.803 6.389 1.00 0.00 H new ATOM 0 HB2 SER C 51 24.645 -6.666 8.035 1.00 0.00 H new ATOM 0 HB3 SER C 51 25.770 -5.324 7.979 1.00 0.00 H new ATOM 0 HG SER C 51 23.878 -4.289 7.770 1.00 0.00 H new ATOM 755 N ALA C 52 25.550 -8.718 5.350 1.00 0.00 N ATOM 756 CA ALA C 52 24.947 -9.945 4.854 1.00 0.00 C ATOM 757 C ALA C 52 23.933 -10.507 5.831 1.00 0.00 C ATOM 758 O ALA C 52 22.892 -11.009 5.423 1.00 0.00 O ATOM 759 CB ALA C 52 26.024 -10.977 4.576 1.00 0.00 C ATOM 0 H ALA C 52 26.563 -8.770 5.457 1.00 0.00 H new ATOM 0 HA ALA C 52 24.422 -9.706 3.929 1.00 0.00 H new ATOM 0 HB1 ALA C 52 25.563 -11.893 4.205 1.00 0.00 H new ATOM 0 HB2 ALA C 52 26.715 -10.589 3.827 1.00 0.00 H new ATOM 0 HB3 ALA C 52 26.568 -11.192 5.496 1.00 0.00 H new ATOM 765 N GLN C 53 24.242 -10.418 7.120 1.00 0.00 N ATOM 766 CA GLN C 53 23.324 -10.874 8.155 1.00 0.00 C ATOM 767 C GLN C 53 22.003 -10.118 8.057 1.00 0.00 C ATOM 768 O GLN C 53 20.923 -10.681 8.261 1.00 0.00 O ATOM 769 CB GLN C 53 23.953 -10.691 9.542 1.00 0.00 C ATOM 770 CG GLN C 53 24.337 -9.254 9.863 1.00 0.00 C ATOM 771 CD GLN C 53 25.086 -9.129 11.174 1.00 0.00 C ATOM 772 OE1 GLN C 53 24.486 -8.943 12.231 1.00 0.00 O ATOM 773 NE2 GLN C 53 26.403 -9.234 11.114 1.00 0.00 N ATOM 0 H GLN C 53 25.119 -10.035 7.472 1.00 0.00 H new ATOM 0 HA GLN C 53 23.125 -11.935 8.007 1.00 0.00 H new ATOM 0 HB2 GLN C 53 23.252 -11.046 10.297 1.00 0.00 H new ATOM 0 HB3 GLN C 53 24.842 -11.318 9.612 1.00 0.00 H new ATOM 0 HG2 GLN C 53 24.955 -8.858 9.057 1.00 0.00 H new ATOM 0 HG3 GLN C 53 23.436 -8.642 9.904 1.00 0.00 H new ATOM 0 HE21 GLN C 53 26.862 -9.388 10.216 1.00 0.00 H new ATOM 0 HE22 GLN C 53 26.960 -9.161 11.965 1.00 0.00 H new ATOM 782 N THR C 54 22.098 -8.850 7.689 1.00 0.00 N ATOM 783 CA THR C 54 20.931 -8.002 7.570 1.00 0.00 C ATOM 784 C THR C 54 20.188 -8.306 6.279 1.00 0.00 C ATOM 785 O THR C 54 18.962 -8.402 6.256 1.00 0.00 O ATOM 786 CB THR C 54 21.325 -6.517 7.611 1.00 0.00 C ATOM 787 OG1 THR C 54 22.090 -6.262 8.795 1.00 0.00 O ATOM 788 CG2 THR C 54 20.100 -5.614 7.591 1.00 0.00 C ATOM 0 H THR C 54 22.979 -8.387 7.467 1.00 0.00 H new ATOM 0 HA THR C 54 20.275 -8.208 8.416 1.00 0.00 H new ATOM 0 HB THR C 54 21.919 -6.297 6.724 1.00 0.00 H new ATOM 0 HG1 THR C 54 22.820 -5.643 8.586 1.00 0.00 H new ATOM 0 HG21 THR C 54 20.416 -4.571 7.621 1.00 0.00 H new ATOM 0 HG22 THR C 54 19.530 -5.794 6.680 1.00 0.00 H new ATOM 0 HG23 THR C 54 19.475 -5.829 8.458 1.00 0.00 H new ATOM 796 N VAL C 55 20.948 -8.512 5.214 1.00 0.00 N ATOM 797 CA VAL C 55 20.368 -8.756 3.904 1.00 0.00 C ATOM 798 C VAL C 55 19.808 -10.173 3.839 1.00 0.00 C ATOM 799 O VAL C 55 19.022 -10.505 2.966 1.00 0.00 O ATOM 800 CB VAL C 55 21.429 -8.533 2.781 1.00 0.00 C ATOM 801 CG1 VAL C 55 20.901 -8.836 1.373 1.00 0.00 C ATOM 802 CG2 VAL C 55 21.963 -7.111 2.842 1.00 0.00 C ATOM 0 H VAL C 55 21.968 -8.515 5.232 1.00 0.00 H new ATOM 0 HA VAL C 55 19.554 -8.049 3.745 1.00 0.00 H new ATOM 0 HB VAL C 55 22.233 -9.244 2.970 1.00 0.00 H new ATOM 0 HG11 VAL C 55 21.691 -8.660 0.643 1.00 0.00 H new ATOM 0 HG12 VAL C 55 20.583 -9.877 1.320 1.00 0.00 H new ATOM 0 HG13 VAL C 55 20.053 -8.187 1.155 1.00 0.00 H new ATOM 0 HG21 VAL C 55 22.702 -6.966 2.054 1.00 0.00 H new ATOM 0 HG22 VAL C 55 21.142 -6.408 2.703 1.00 0.00 H new ATOM 0 HG23 VAL C 55 22.428 -6.938 3.813 1.00 0.00 H new ATOM 812 N ALA C 56 20.196 -10.996 4.798 1.00 0.00 N ATOM 813 CA ALA C 56 19.725 -12.366 4.857 1.00 0.00 C ATOM 814 C ALA C 56 18.300 -12.423 5.372 1.00 0.00 C ATOM 815 O ALA C 56 17.497 -13.234 4.916 1.00 0.00 O ATOM 816 CB ALA C 56 20.637 -13.213 5.730 1.00 0.00 C ATOM 0 H ALA C 56 20.838 -10.737 5.547 1.00 0.00 H new ATOM 0 HA ALA C 56 19.742 -12.772 3.845 1.00 0.00 H new ATOM 0 HB1 ALA C 56 20.264 -14.237 5.760 1.00 0.00 H new ATOM 0 HB2 ALA C 56 21.646 -13.206 5.317 1.00 0.00 H new ATOM 0 HB3 ALA C 56 20.656 -12.804 6.740 1.00 0.00 H new ATOM 822 N VAL C 57 17.978 -11.551 6.314 1.00 0.00 N ATOM 823 CA VAL C 57 16.631 -11.545 6.879 1.00 0.00 C ATOM 824 C VAL C 57 15.742 -10.585 6.109 1.00 0.00 C ATOM 825 O VAL C 57 14.532 -10.792 5.996 1.00 0.00 O ATOM 826 CB VAL C 57 16.605 -11.139 8.367 1.00 0.00 C ATOM 827 CG1 VAL C 57 15.328 -11.624 9.030 1.00 0.00 C ATOM 828 CG2 VAL C 57 17.830 -11.658 9.103 1.00 0.00 C ATOM 0 H VAL C 57 18.612 -10.851 6.699 1.00 0.00 H new ATOM 0 HA VAL C 57 16.264 -12.568 6.798 1.00 0.00 H new ATOM 0 HB VAL C 57 16.627 -10.050 8.419 1.00 0.00 H new ATOM 0 HG11 VAL C 57 15.328 -11.328 10.079 1.00 0.00 H new ATOM 0 HG12 VAL C 57 14.467 -11.182 8.528 1.00 0.00 H new ATOM 0 HG13 VAL C 57 15.271 -12.710 8.959 1.00 0.00 H new ATOM 0 HG21 VAL C 57 17.782 -11.355 10.149 1.00 0.00 H new ATOM 0 HG22 VAL C 57 17.858 -12.746 9.041 1.00 0.00 H new ATOM 0 HG23 VAL C 57 18.730 -11.246 8.647 1.00 0.00 H new ATOM 838 N PHE C 58 16.346 -9.540 5.568 1.00 0.00 N ATOM 839 CA PHE C 58 15.587 -8.500 4.894 1.00 0.00 C ATOM 840 C PHE C 58 15.687 -8.617 3.380 1.00 0.00 C ATOM 841 O PHE C 58 15.351 -7.678 2.663 1.00 0.00 O ATOM 842 CB PHE C 58 16.056 -7.113 5.336 1.00 0.00 C ATOM 843 CG PHE C 58 15.664 -6.763 6.745 1.00 0.00 C ATOM 844 CD1 PHE C 58 16.614 -6.702 7.750 1.00 0.00 C ATOM 845 CD2 PHE C 58 14.343 -6.493 7.059 1.00 0.00 C ATOM 846 CE1 PHE C 58 16.254 -6.380 9.045 1.00 0.00 C ATOM 847 CE2 PHE C 58 13.976 -6.170 8.352 1.00 0.00 C ATOM 848 CZ PHE C 58 14.933 -6.113 9.346 1.00 0.00 C ATOM 0 H PHE C 58 17.355 -9.390 5.582 1.00 0.00 H new ATOM 0 HA PHE C 58 14.543 -8.633 5.177 1.00 0.00 H new ATOM 0 HB2 PHE C 58 17.141 -7.060 5.246 1.00 0.00 H new ATOM 0 HB3 PHE C 58 15.644 -6.366 4.657 1.00 0.00 H new ATOM 0 HD1 PHE C 58 17.649 -6.908 7.519 1.00 0.00 H new ATOM 0 HD2 PHE C 58 13.591 -6.535 6.285 1.00 0.00 H new ATOM 0 HE1 PHE C 58 17.005 -6.337 9.820 1.00 0.00 H new ATOM 0 HE2 PHE C 58 12.942 -5.962 8.585 1.00 0.00 H new ATOM 0 HZ PHE C 58 14.649 -5.860 10.357 1.00 0.00 H new ATOM 858 N LYS C 59 16.162 -9.760 2.899 1.00 0.00 N ATOM 859 CA LYS C 59 16.251 -9.995 1.461 1.00 0.00 C ATOM 860 C LYS C 59 14.874 -9.915 0.803 1.00 0.00 C ATOM 861 O LYS C 59 13.955 -10.660 1.157 1.00 0.00 O ATOM 862 CB LYS C 59 16.906 -11.350 1.148 1.00 0.00 C ATOM 863 CG LYS C 59 16.200 -12.557 1.743 1.00 0.00 C ATOM 864 CD LYS C 59 16.885 -13.847 1.327 1.00 0.00 C ATOM 865 CE LYS C 59 16.163 -15.071 1.867 1.00 0.00 C ATOM 866 NZ LYS C 59 16.139 -15.092 3.350 1.00 0.00 N ATOM 0 H LYS C 59 16.489 -10.534 3.478 1.00 0.00 H new ATOM 0 HA LYS C 59 16.882 -9.208 1.048 1.00 0.00 H new ATOM 0 HB2 LYS C 59 16.953 -11.472 0.066 1.00 0.00 H new ATOM 0 HB3 LYS C 59 17.933 -11.333 1.512 1.00 0.00 H new ATOM 0 HG2 LYS C 59 16.192 -12.479 2.830 1.00 0.00 H new ATOM 0 HG3 LYS C 59 15.160 -12.572 1.417 1.00 0.00 H new ATOM 0 HD2 LYS C 59 16.928 -13.901 0.239 1.00 0.00 H new ATOM 0 HD3 LYS C 59 17.914 -13.844 1.687 1.00 0.00 H new ATOM 0 HE2 LYS C 59 15.141 -15.086 1.488 1.00 0.00 H new ATOM 0 HE3 LYS C 59 16.653 -15.973 1.499 1.00 0.00 H new ATOM 0 HZ1 LYS C 59 16.479 -16.014 3.690 1.00 0.00 H new ATOM 0 HZ2 LYS C 59 16.755 -14.339 3.718 1.00 0.00 H new ATOM 0 HZ3 LYS C 59 15.166 -14.937 3.684 1.00 0.00 H new ATOM 880 N PRO C 60 14.703 -8.987 -0.144 1.00 0.00 N ATOM 881 CA PRO C 60 13.498 -8.863 -0.923 1.00 0.00 C ATOM 882 C PRO C 60 13.657 -9.559 -2.271 1.00 0.00 C ATOM 883 O PRO C 60 14.412 -10.527 -2.392 1.00 0.00 O ATOM 884 CB PRO C 60 13.383 -7.346 -1.090 1.00 0.00 C ATOM 885 CG PRO C 60 14.787 -6.820 -1.004 1.00 0.00 C ATOM 886 CD PRO C 60 15.666 -7.958 -0.543 1.00 0.00 C ATOM 0 HA PRO C 60 12.620 -9.318 -0.465 1.00 0.00 H new ATOM 0 HB2 PRO C 60 12.927 -7.091 -2.047 1.00 0.00 H new ATOM 0 HB3 PRO C 60 12.754 -6.913 -0.312 1.00 0.00 H new ATOM 0 HG2 PRO C 60 15.118 -6.448 -1.974 1.00 0.00 H new ATOM 0 HG3 PRO C 60 14.842 -5.985 -0.306 1.00 0.00 H new ATOM 0 HD2 PRO C 60 16.322 -8.308 -1.340 1.00 0.00 H new ATOM 0 HD3 PRO C 60 16.305 -7.661 0.288 1.00 0.00 H new ATOM 894 N GLU C 61 12.965 -9.063 -3.277 1.00 0.00 N ATOM 895 CA GLU C 61 13.027 -9.648 -4.609 1.00 0.00 C ATOM 896 C GLU C 61 13.161 -8.554 -5.648 1.00 0.00 C ATOM 897 O GLU C 61 12.770 -7.411 -5.419 1.00 0.00 O ATOM 898 CB GLU C 61 11.784 -10.481 -4.915 1.00 0.00 C ATOM 899 CG GLU C 61 11.474 -11.540 -3.871 1.00 0.00 C ATOM 900 CD GLU C 61 10.311 -12.420 -4.267 1.00 0.00 C ATOM 901 OE1 GLU C 61 10.549 -13.528 -4.788 1.00 0.00 O ATOM 902 OE2 GLU C 61 9.150 -12.005 -4.062 1.00 0.00 O ATOM 0 H GLU C 61 12.350 -8.253 -3.201 1.00 0.00 H new ATOM 0 HA GLU C 61 13.897 -10.304 -4.641 1.00 0.00 H new ATOM 0 HB2 GLU C 61 10.927 -9.814 -5.006 1.00 0.00 H new ATOM 0 HB3 GLU C 61 11.914 -10.967 -5.882 1.00 0.00 H new ATOM 0 HG2 GLU C 61 12.357 -12.159 -3.713 1.00 0.00 H new ATOM 0 HG3 GLU C 61 11.251 -11.055 -2.921 1.00 0.00 H new ATOM 909 N VAL C 62 13.676 -8.924 -6.799 1.00 0.00 N ATOM 910 CA VAL C 62 13.966 -7.978 -7.855 1.00 0.00 C ATOM 911 C VAL C 62 12.741 -7.778 -8.731 1.00 0.00 C ATOM 912 O VAL C 62 12.382 -8.645 -9.532 1.00 0.00 O ATOM 913 CB VAL C 62 15.154 -8.451 -8.719 1.00 0.00 C ATOM 914 CG1 VAL C 62 15.430 -7.469 -9.844 1.00 0.00 C ATOM 915 CG2 VAL C 62 16.396 -8.647 -7.859 1.00 0.00 C ATOM 0 H VAL C 62 13.906 -9.890 -7.030 1.00 0.00 H new ATOM 0 HA VAL C 62 14.237 -7.030 -7.390 1.00 0.00 H new ATOM 0 HB VAL C 62 14.890 -9.410 -9.165 1.00 0.00 H new ATOM 0 HG11 VAL C 62 16.271 -7.824 -10.439 1.00 0.00 H new ATOM 0 HG12 VAL C 62 14.547 -7.385 -10.478 1.00 0.00 H new ATOM 0 HG13 VAL C 62 15.670 -6.492 -9.424 1.00 0.00 H new ATOM 0 HG21 VAL C 62 17.223 -8.981 -8.485 1.00 0.00 H new ATOM 0 HG22 VAL C 62 16.660 -7.704 -7.381 1.00 0.00 H new ATOM 0 HG23 VAL C 62 16.194 -9.397 -7.094 1.00 0.00 H new ATOM 925 N GLY C 63 12.099 -6.637 -8.560 1.00 0.00 N ATOM 926 CA GLY C 63 10.909 -6.333 -9.325 1.00 0.00 C ATOM 927 C GLY C 63 9.741 -5.891 -8.461 1.00 0.00 C ATOM 928 O GLY C 63 8.799 -5.271 -8.960 1.00 0.00 O ATOM 0 H GLY C 63 12.381 -5.911 -7.902 1.00 0.00 H new ATOM 0 HA2 GLY C 63 11.138 -5.547 -10.045 1.00 0.00 H new ATOM 0 HA3 GLY C 63 10.617 -7.214 -9.897 1.00 0.00 H new ATOM 932 N GLY C 64 9.788 -6.209 -7.172 1.00 0.00 N ATOM 933 CA GLY C 64 8.724 -5.824 -6.285 1.00 0.00 C ATOM 934 C GLY C 64 8.931 -4.445 -5.706 1.00 0.00 C ATOM 935 O GLY C 64 9.848 -3.719 -6.097 1.00 0.00 O ATOM 0 H GLY C 64 10.548 -6.727 -6.732 1.00 0.00 H new ATOM 0 HA2 GLY C 64 7.777 -5.851 -6.824 1.00 0.00 H new ATOM 0 HA3 GLY C 64 8.650 -6.549 -5.474 1.00 0.00 H new ATOM 939 N TYR C 65 8.088 -4.098 -4.761 1.00 0.00 N ATOM 940 CA TYR C 65 8.128 -2.786 -4.141 1.00 0.00 C ATOM 941 C TYR C 65 8.458 -2.900 -2.662 1.00 0.00 C ATOM 942 O TYR C 65 7.644 -3.367 -1.865 1.00 0.00 O ATOM 943 CB TYR C 65 6.796 -2.059 -4.331 1.00 0.00 C ATOM 944 CG TYR C 65 6.549 -1.614 -5.755 1.00 0.00 C ATOM 945 CD1 TYR C 65 5.940 -2.458 -6.675 1.00 0.00 C ATOM 946 CD2 TYR C 65 6.931 -0.349 -6.178 1.00 0.00 C ATOM 947 CE1 TYR C 65 5.719 -2.051 -7.977 1.00 0.00 C ATOM 948 CE2 TYR C 65 6.712 0.066 -7.477 1.00 0.00 C ATOM 949 CZ TYR C 65 6.107 -0.789 -8.373 1.00 0.00 C ATOM 950 OH TYR C 65 5.887 -0.378 -9.669 1.00 0.00 O ATOM 0 H TYR C 65 7.357 -4.711 -4.399 1.00 0.00 H new ATOM 0 HA TYR C 65 8.913 -2.206 -4.627 1.00 0.00 H new ATOM 0 HB2 TYR C 65 5.985 -2.716 -4.018 1.00 0.00 H new ATOM 0 HB3 TYR C 65 6.770 -1.188 -3.677 1.00 0.00 H new ATOM 0 HD1 TYR C 65 5.635 -3.447 -6.368 1.00 0.00 H new ATOM 0 HD2 TYR C 65 7.408 0.323 -5.480 1.00 0.00 H new ATOM 0 HE1 TYR C 65 5.245 -2.719 -8.681 1.00 0.00 H new ATOM 0 HE2 TYR C 65 7.013 1.055 -7.789 1.00 0.00 H new ATOM 0 HH TYR C 65 6.219 0.537 -9.783 1.00 0.00 H new ATOM 960 N LEU C 66 9.668 -2.502 -2.310 1.00 0.00 N ATOM 961 CA LEU C 66 10.075 -2.432 -0.918 1.00 0.00 C ATOM 962 C LEU C 66 9.492 -1.162 -0.314 1.00 0.00 C ATOM 963 O LEU C 66 9.240 -0.204 -1.034 1.00 0.00 O ATOM 964 CB LEU C 66 11.608 -2.414 -0.826 1.00 0.00 C ATOM 965 CG LEU C 66 12.206 -2.463 0.584 1.00 0.00 C ATOM 966 CD1 LEU C 66 11.955 -3.815 1.231 1.00 0.00 C ATOM 967 CD2 LEU C 66 13.697 -2.171 0.535 1.00 0.00 C ATOM 0 H LEU C 66 10.390 -2.221 -2.974 1.00 0.00 H new ATOM 0 HA LEU C 66 9.710 -3.301 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU C 66 11.994 -3.263 -1.391 1.00 0.00 H new ATOM 0 HB3 LEU C 66 11.969 -1.512 -1.319 1.00 0.00 H new ATOM 0 HG LEU C 66 11.718 -1.699 1.189 1.00 0.00 H new ATOM 0 HD11 LEU C 66 12.389 -3.826 2.231 1.00 0.00 H new ATOM 0 HD12 LEU C 66 10.882 -3.992 1.299 1.00 0.00 H new ATOM 0 HD13 LEU C 66 12.415 -4.598 0.628 1.00 0.00 H new ATOM 0 HD21 LEU C 66 14.109 -2.209 1.544 1.00 0.00 H new ATOM 0 HD22 LEU C 66 14.193 -2.915 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU C 66 13.860 -1.179 0.114 1.00 0.00 H new ATOM 979 N PHE C 67 9.245 -1.151 0.979 1.00 0.00 N ATOM 980 CA PHE C 67 8.734 0.044 1.625 1.00 0.00 C ATOM 981 C PHE C 67 9.280 0.161 3.038 1.00 0.00 C ATOM 982 O PHE C 67 9.594 -0.846 3.670 1.00 0.00 O ATOM 983 CB PHE C 67 7.198 0.055 1.609 1.00 0.00 C ATOM 984 CG PHE C 67 6.552 -1.105 2.316 1.00 0.00 C ATOM 985 CD1 PHE C 67 6.310 -1.060 3.681 1.00 0.00 C ATOM 986 CD2 PHE C 67 6.174 -2.235 1.611 1.00 0.00 C ATOM 987 CE1 PHE C 67 5.706 -2.120 4.326 1.00 0.00 C ATOM 988 CE2 PHE C 67 5.571 -3.300 2.251 1.00 0.00 C ATOM 989 CZ PHE C 67 5.337 -3.242 3.612 1.00 0.00 C ATOM 0 H PHE C 67 9.387 -1.947 1.600 1.00 0.00 H new ATOM 0 HA PHE C 67 9.074 0.915 1.066 1.00 0.00 H new ATOM 0 HB2 PHE C 67 6.850 0.981 2.067 1.00 0.00 H new ATOM 0 HB3 PHE C 67 6.859 0.065 0.573 1.00 0.00 H new ATOM 0 HD1 PHE C 67 6.598 -0.185 4.246 1.00 0.00 H new ATOM 0 HD2 PHE C 67 6.353 -2.284 0.547 1.00 0.00 H new ATOM 0 HE1 PHE C 67 5.522 -2.072 5.389 1.00 0.00 H new ATOM 0 HE2 PHE C 67 5.283 -4.176 1.689 1.00 0.00 H new ATOM 0 HZ PHE C 67 4.866 -4.073 4.116 1.00 0.00 H new ATOM 999 N ARG C 68 9.405 1.390 3.521 1.00 0.00 N ATOM 1000 CA ARG C 68 10.019 1.646 4.810 1.00 0.00 C ATOM 1001 C ARG C 68 9.314 2.796 5.511 1.00 0.00 C ATOM 1002 O ARG C 68 8.938 3.783 4.876 1.00 0.00 O ATOM 1003 CB ARG C 68 11.505 1.977 4.625 1.00 0.00 C ATOM 1004 CG ARG C 68 12.200 2.421 5.904 1.00 0.00 C ATOM 1005 CD ARG C 68 13.647 2.814 5.650 1.00 0.00 C ATOM 1006 NE ARG C 68 14.479 1.664 5.297 1.00 0.00 N ATOM 1007 CZ ARG C 68 15.462 1.700 4.395 1.00 0.00 C ATOM 1008 NH1 ARG C 68 15.721 2.818 3.726 1.00 0.00 N ATOM 1009 NH2 ARG C 68 16.194 0.616 4.169 1.00 0.00 N ATOM 0 H ARG C 68 9.086 2.227 3.034 1.00 0.00 H new ATOM 0 HA ARG C 68 9.927 0.752 5.426 1.00 0.00 H new ATOM 0 HB2 ARG C 68 12.017 1.099 4.231 1.00 0.00 H new ATOM 0 HB3 ARG C 68 11.602 2.765 3.878 1.00 0.00 H new ATOM 0 HG2 ARG C 68 11.664 3.266 6.335 1.00 0.00 H new ATOM 0 HG3 ARG C 68 12.165 1.614 6.636 1.00 0.00 H new ATOM 0 HD2 ARG C 68 13.686 3.549 4.846 1.00 0.00 H new ATOM 0 HD3 ARG C 68 14.053 3.294 6.541 1.00 0.00 H new ATOM 0 HE ARG C 68 14.296 0.779 5.770 1.00 0.00 H new ATOM 0 HH11 ARG C 68 15.167 3.657 3.900 1.00 0.00 H new ATOM 0 HH12 ARG C 68 16.474 2.838 3.038 1.00 0.00 H new ATOM 0 HH21 ARG C 68 16.005 -0.244 4.685 1.00 0.00 H new ATOM 0 HH22 ARG C 68 16.945 0.643 3.480 1.00 0.00 H new ATOM 1023 N SER C 69 9.129 2.665 6.812 1.00 0.00 N ATOM 1024 CA SER C 69 8.514 3.716 7.590 1.00 0.00 C ATOM 1025 C SER C 69 9.559 4.476 8.377 1.00 0.00 C ATOM 1026 O SER C 69 10.717 4.064 8.464 1.00 0.00 O ATOM 1027 CB SER C 69 7.458 3.146 8.536 1.00 0.00 C ATOM 1028 OG SER C 69 8.009 2.139 9.368 1.00 0.00 O ATOM 0 H SER C 69 9.397 1.840 7.349 1.00 0.00 H new ATOM 0 HA SER C 69 8.025 4.403 6.899 1.00 0.00 H new ATOM 0 HB2 SER C 69 7.047 3.946 9.152 1.00 0.00 H new ATOM 0 HB3 SER C 69 6.632 2.732 7.957 1.00 0.00 H new ATOM 0 HG SER C 69 7.365 1.904 10.068 1.00 0.00 H new ATOM 1034 N GLN C 70 9.126 5.571 8.969 1.00 0.00 N ATOM 1035 CA GLN C 70 10.004 6.445 9.739 1.00 0.00 C ATOM 1036 C GLN C 70 10.512 5.726 10.981 1.00 0.00 C ATOM 1037 O GLN C 70 11.538 6.091 11.555 1.00 0.00 O ATOM 1038 CB GLN C 70 9.267 7.725 10.156 1.00 0.00 C ATOM 1039 CG GLN C 70 8.838 8.633 9.006 1.00 0.00 C ATOM 1040 CD GLN C 70 7.808 7.999 8.089 1.00 0.00 C ATOM 1041 OE1 GLN C 70 8.151 7.405 7.067 1.00 0.00 O ATOM 1042 NE2 GLN C 70 6.544 8.094 8.464 1.00 0.00 N ATOM 0 H GLN C 70 8.156 5.885 8.933 1.00 0.00 H new ATOM 0 HA GLN C 70 10.850 6.713 9.106 1.00 0.00 H new ATOM 0 HB2 GLN C 70 8.381 7.445 10.727 1.00 0.00 H new ATOM 0 HB3 GLN C 70 9.911 8.294 10.826 1.00 0.00 H new ATOM 0 HG2 GLN C 70 8.429 9.557 9.415 1.00 0.00 H new ATOM 0 HG3 GLN C 70 9.716 8.905 8.421 1.00 0.00 H new ATOM 0 HE21 GLN C 70 6.302 8.595 9.319 1.00 0.00 H new ATOM 0 HE22 GLN C 70 5.811 7.666 7.899 1.00 0.00 H new ATOM 1051 N TYR C 71 9.783 4.694 11.386 1.00 0.00 N ATOM 1052 CA TYR C 71 10.128 3.919 12.566 1.00 0.00 C ATOM 1053 C TYR C 71 11.209 2.893 12.236 1.00 0.00 C ATOM 1054 O TYR C 71 11.739 2.220 13.121 1.00 0.00 O ATOM 1055 CB TYR C 71 8.878 3.229 13.117 1.00 0.00 C ATOM 1056 CG TYR C 71 7.759 4.195 13.438 1.00 0.00 C ATOM 1057 CD1 TYR C 71 7.680 4.809 14.681 1.00 0.00 C ATOM 1058 CD2 TYR C 71 6.787 4.503 12.492 1.00 0.00 C ATOM 1059 CE1 TYR C 71 6.666 5.701 14.973 1.00 0.00 C ATOM 1060 CE2 TYR C 71 5.768 5.392 12.778 1.00 0.00 C ATOM 1061 CZ TYR C 71 5.712 5.989 14.019 1.00 0.00 C ATOM 1062 OH TYR C 71 4.701 6.879 14.310 1.00 0.00 O ATOM 0 H TYR C 71 8.941 4.374 10.908 1.00 0.00 H new ATOM 0 HA TYR C 71 10.523 4.591 13.328 1.00 0.00 H new ATOM 0 HB2 TYR C 71 8.522 2.500 12.389 1.00 0.00 H new ATOM 0 HB3 TYR C 71 9.143 2.677 14.019 1.00 0.00 H new ATOM 0 HD1 TYR C 71 8.423 4.586 15.432 1.00 0.00 H new ATOM 0 HD2 TYR C 71 6.829 4.040 11.517 1.00 0.00 H new ATOM 0 HE1 TYR C 71 6.620 6.171 15.944 1.00 0.00 H new ATOM 0 HE2 TYR C 71 5.020 5.618 12.033 1.00 0.00 H new ATOM 0 HH TYR C 71 4.113 6.972 13.531 1.00 0.00 H new ATOM 1072 N GLY C 72 11.531 2.786 10.954 1.00 0.00 N ATOM 1073 CA GLY C 72 12.585 1.891 10.522 1.00 0.00 C ATOM 1074 C GLY C 72 12.062 0.535 10.102 1.00 0.00 C ATOM 1075 O GLY C 72 12.835 -0.404 9.924 1.00 0.00 O ATOM 0 H GLY C 72 11.078 3.306 10.202 1.00 0.00 H new ATOM 0 HA2 GLY C 72 13.121 2.343 9.688 1.00 0.00 H new ATOM 0 HA3 GLY C 72 13.303 1.764 11.332 1.00 0.00 H new ATOM 1079 N GLU C 73 10.753 0.429 9.943 1.00 0.00 N ATOM 1080 CA GLU C 73 10.139 -0.822 9.530 1.00 0.00 C ATOM 1081 C GLU C 73 10.111 -0.910 8.013 1.00 0.00 C ATOM 1082 O GLU C 73 9.559 -0.037 7.346 1.00 0.00 O ATOM 1083 CB GLU C 73 8.724 -0.923 10.089 1.00 0.00 C ATOM 1084 CG GLU C 73 8.046 -2.253 9.809 1.00 0.00 C ATOM 1085 CD GLU C 73 6.704 -2.358 10.491 1.00 0.00 C ATOM 1086 OE1 GLU C 73 5.673 -2.145 9.824 1.00 0.00 O ATOM 1087 OE2 GLU C 73 6.674 -2.628 11.710 1.00 0.00 O ATOM 0 H GLU C 73 10.095 1.194 10.094 1.00 0.00 H new ATOM 0 HA GLU C 73 10.729 -1.651 9.921 1.00 0.00 H new ATOM 0 HB2 GLU C 73 8.757 -0.763 11.167 1.00 0.00 H new ATOM 0 HB3 GLU C 73 8.119 -0.121 9.666 1.00 0.00 H new ATOM 0 HG2 GLU C 73 7.917 -2.375 8.734 1.00 0.00 H new ATOM 0 HG3 GLU C 73 8.689 -3.066 10.147 1.00 0.00 H new ATOM 1094 N LEU C 74 10.732 -1.945 7.473 1.00 0.00 N ATOM 1095 CA LEU C 74 10.775 -2.135 6.033 1.00 0.00 C ATOM 1096 C LEU C 74 10.394 -3.558 5.653 1.00 0.00 C ATOM 1097 O LEU C 74 10.791 -4.521 6.313 1.00 0.00 O ATOM 1098 CB LEU C 74 12.155 -1.791 5.456 1.00 0.00 C ATOM 1099 CG LEU C 74 13.321 -2.626 5.985 1.00 0.00 C ATOM 1100 CD1 LEU C 74 14.482 -2.596 5.004 1.00 0.00 C ATOM 1101 CD2 LEU C 74 13.771 -2.112 7.343 1.00 0.00 C ATOM 0 H LEU C 74 11.213 -2.666 8.010 1.00 0.00 H new ATOM 0 HA LEU C 74 10.045 -1.450 5.602 1.00 0.00 H new ATOM 0 HB2 LEU C 74 12.114 -1.903 4.373 1.00 0.00 H new ATOM 0 HB3 LEU C 74 12.362 -0.741 5.660 1.00 0.00 H new ATOM 0 HG LEU C 74 12.983 -3.656 6.097 1.00 0.00 H new ATOM 0 HD11 LEU C 74 15.304 -3.195 5.395 1.00 0.00 H new ATOM 0 HD12 LEU C 74 14.159 -3.004 4.046 1.00 0.00 H new ATOM 0 HD13 LEU C 74 14.816 -1.567 4.867 1.00 0.00 H new ATOM 0 HD21 LEU C 74 14.602 -2.718 7.704 1.00 0.00 H new ATOM 0 HD22 LEU C 74 14.092 -1.074 7.251 1.00 0.00 H new ATOM 0 HD23 LEU C 74 12.942 -2.174 8.048 1.00 0.00 H new ATOM 1113 N LEU C 75 9.624 -3.661 4.584 1.00 0.00 N ATOM 1114 CA LEU C 75 9.171 -4.933 4.030 1.00 0.00 C ATOM 1115 C LEU C 75 8.921 -4.733 2.543 1.00 0.00 C ATOM 1116 O LEU C 75 8.927 -3.597 2.075 1.00 0.00 O ATOM 1117 CB LEU C 75 7.873 -5.395 4.705 1.00 0.00 C ATOM 1118 CG LEU C 75 7.980 -5.766 6.187 1.00 0.00 C ATOM 1119 CD1 LEU C 75 6.596 -5.987 6.774 1.00 0.00 C ATOM 1120 CD2 LEU C 75 8.835 -7.012 6.369 1.00 0.00 C ATOM 0 H LEU C 75 9.288 -2.850 4.064 1.00 0.00 H new ATOM 0 HA LEU C 75 9.931 -5.695 4.202 1.00 0.00 H new ATOM 0 HB2 LEU C 75 7.132 -4.602 4.602 1.00 0.00 H new ATOM 0 HB3 LEU C 75 7.492 -6.260 4.161 1.00 0.00 H new ATOM 0 HG LEU C 75 8.459 -4.941 6.715 1.00 0.00 H new ATOM 0 HD11 LEU C 75 6.686 -6.250 7.828 1.00 0.00 H new ATOM 0 HD12 LEU C 75 6.009 -5.073 6.677 1.00 0.00 H new ATOM 0 HD13 LEU C 75 6.099 -6.796 6.239 1.00 0.00 H new ATOM 0 HD21 LEU C 75 8.898 -7.258 7.429 1.00 0.00 H new ATOM 0 HD22 LEU C 75 8.384 -7.845 5.829 1.00 0.00 H new ATOM 0 HD23 LEU C 75 9.836 -6.827 5.979 1.00 0.00 H new ATOM 1132 N TYR C 76 8.711 -5.803 1.794 1.00 0.00 N ATOM 1133 CA TYR C 76 8.413 -5.654 0.377 1.00 0.00 C ATOM 1134 C TYR C 76 7.055 -6.260 0.054 1.00 0.00 C ATOM 1135 O TYR C 76 6.651 -7.263 0.648 1.00 0.00 O ATOM 1136 CB TYR C 76 9.514 -6.269 -0.504 1.00 0.00 C ATOM 1137 CG TYR C 76 9.462 -7.775 -0.641 1.00 0.00 C ATOM 1138 CD1 TYR C 76 8.671 -8.370 -1.618 1.00 0.00 C ATOM 1139 CD2 TYR C 76 10.207 -8.599 0.190 1.00 0.00 C ATOM 1140 CE1 TYR C 76 8.624 -9.739 -1.761 1.00 0.00 C ATOM 1141 CE2 TYR C 76 10.165 -9.973 0.053 1.00 0.00 C ATOM 1142 CZ TYR C 76 9.372 -10.537 -0.924 1.00 0.00 C ATOM 1143 OH TYR C 76 9.333 -11.904 -1.072 1.00 0.00 O ATOM 0 H TYR C 76 8.740 -6.765 2.132 1.00 0.00 H new ATOM 0 HA TYR C 76 8.380 -4.588 0.154 1.00 0.00 H new ATOM 0 HB2 TYR C 76 9.451 -5.827 -1.498 1.00 0.00 H new ATOM 0 HB3 TYR C 76 10.484 -5.991 -0.093 1.00 0.00 H new ATOM 0 HD1 TYR C 76 8.083 -7.747 -2.276 1.00 0.00 H new ATOM 0 HD2 TYR C 76 10.829 -8.160 0.956 1.00 0.00 H new ATOM 0 HE1 TYR C 76 8.004 -10.184 -2.525 1.00 0.00 H new ATOM 0 HE2 TYR C 76 10.750 -10.602 0.708 1.00 0.00 H new ATOM 0 HH TYR C 76 9.101 -12.126 -1.998 1.00 0.00 H new ATOM 1153 N MET C 77 6.359 -5.643 -0.887 1.00 0.00 N ATOM 1154 CA MET C 77 5.021 -6.070 -1.255 1.00 0.00 C ATOM 1155 C MET C 77 4.678 -5.590 -2.657 1.00 0.00 C ATOM 1156 O MET C 77 5.109 -4.514 -3.072 1.00 0.00 O ATOM 1157 CB MET C 77 4.007 -5.500 -0.257 1.00 0.00 C ATOM 1158 CG MET C 77 2.569 -5.920 -0.524 1.00 0.00 C ATOM 1159 SD MET C 77 2.323 -7.700 -0.376 1.00 0.00 S ATOM 1160 CE MET C 77 2.850 -7.974 1.315 1.00 0.00 C ATOM 0 H MET C 77 6.703 -4.839 -1.413 1.00 0.00 H new ATOM 0 HA MET C 77 4.983 -7.159 -1.236 1.00 0.00 H new ATOM 0 HB2 MET C 77 4.286 -5.816 0.748 1.00 0.00 H new ATOM 0 HB3 MET C 77 4.066 -4.412 -0.277 1.00 0.00 H new ATOM 0 HG2 MET C 77 1.909 -5.407 0.176 1.00 0.00 H new ATOM 0 HG3 MET C 77 2.282 -5.600 -1.526 1.00 0.00 H new ATOM 0 HE1 MET C 77 2.253 -8.772 1.757 1.00 0.00 H new ATOM 0 HE2 MET C 77 3.902 -8.259 1.327 1.00 0.00 H new ATOM 0 HE3 MET C 77 2.716 -7.058 1.891 1.00 0.00 H new ATOM 1170 N SER C 78 3.927 -6.399 -3.389 1.00 0.00 N ATOM 1171 CA SER C 78 3.368 -5.978 -4.658 1.00 0.00 C ATOM 1172 C SER C 78 2.388 -4.837 -4.413 1.00 0.00 C ATOM 1173 O SER C 78 1.506 -4.931 -3.552 1.00 0.00 O ATOM 1174 CB SER C 78 2.679 -7.165 -5.332 1.00 0.00 C ATOM 1175 OG SER C 78 1.951 -7.934 -4.387 1.00 0.00 O ATOM 0 H SER C 78 3.692 -7.355 -3.121 1.00 0.00 H new ATOM 0 HA SER C 78 4.157 -5.624 -5.322 1.00 0.00 H new ATOM 0 HB2 SER C 78 2.005 -6.805 -6.110 1.00 0.00 H new ATOM 0 HB3 SER C 78 3.424 -7.793 -5.821 1.00 0.00 H new ATOM 0 HG SER C 78 1.518 -8.686 -4.842 1.00 0.00 H new ATOM 1181 N LYS C 79 2.556 -3.753 -5.167 1.00 0.00 N ATOM 1182 CA LYS C 79 1.877 -2.502 -4.857 1.00 0.00 C ATOM 1183 C LYS C 79 0.367 -2.647 -4.936 1.00 0.00 C ATOM 1184 O LYS C 79 -0.353 -1.939 -4.250 1.00 0.00 O ATOM 1185 CB LYS C 79 2.340 -1.364 -5.774 1.00 0.00 C ATOM 1186 CG LYS C 79 1.623 -1.284 -7.112 1.00 0.00 C ATOM 1187 CD LYS C 79 1.490 0.163 -7.558 1.00 0.00 C ATOM 1188 CE LYS C 79 0.535 0.309 -8.728 1.00 0.00 C ATOM 1189 NZ LYS C 79 0.138 1.727 -8.935 1.00 0.00 N ATOM 0 H LYS C 79 3.154 -3.718 -5.993 1.00 0.00 H new ATOM 0 HA LYS C 79 2.146 -2.250 -3.831 1.00 0.00 H new ATOM 0 HB2 LYS C 79 2.206 -0.418 -5.250 1.00 0.00 H new ATOM 0 HB3 LYS C 79 3.408 -1.478 -5.958 1.00 0.00 H new ATOM 0 HG2 LYS C 79 2.174 -1.853 -7.861 1.00 0.00 H new ATOM 0 HG3 LYS C 79 0.635 -1.738 -7.030 1.00 0.00 H new ATOM 0 HD2 LYS C 79 1.137 0.769 -6.724 1.00 0.00 H new ATOM 0 HD3 LYS C 79 2.470 0.548 -7.839 1.00 0.00 H new ATOM 0 HE2 LYS C 79 1.006 -0.074 -9.633 1.00 0.00 H new ATOM 0 HE3 LYS C 79 -0.354 -0.296 -8.551 1.00 0.00 H new ATOM 0 HZ1 LYS C 79 -0.488 1.795 -9.763 1.00 0.00 H new ATOM 0 HZ2 LYS C 79 -0.364 2.074 -8.092 1.00 0.00 H new ATOM 0 HZ3 LYS C 79 0.987 2.306 -9.095 1.00 0.00 H new ATOM 1203 N THR C 80 -0.101 -3.571 -5.756 1.00 0.00 N ATOM 1204 CA THR C 80 -1.529 -3.782 -5.943 1.00 0.00 C ATOM 1205 C THR C 80 -2.241 -4.066 -4.620 1.00 0.00 C ATOM 1206 O THR C 80 -3.342 -3.565 -4.374 1.00 0.00 O ATOM 1207 CB THR C 80 -1.776 -4.937 -6.926 1.00 0.00 C ATOM 1208 OG1 THR C 80 -0.856 -6.005 -6.661 1.00 0.00 O ATOM 1209 CG2 THR C 80 -1.621 -4.468 -8.364 1.00 0.00 C ATOM 0 H THR C 80 0.491 -4.192 -6.308 1.00 0.00 H new ATOM 0 HA THR C 80 -1.941 -2.861 -6.355 1.00 0.00 H new ATOM 0 HB THR C 80 -2.797 -5.293 -6.789 1.00 0.00 H new ATOM 0 HG1 THR C 80 -1.018 -6.740 -7.289 1.00 0.00 H new ATOM 0 HG21 THR C 80 -1.801 -5.304 -9.041 1.00 0.00 H new ATOM 0 HG22 THR C 80 -2.341 -3.675 -8.568 1.00 0.00 H new ATOM 0 HG23 THR C 80 -0.610 -4.089 -8.516 1.00 0.00 H new ATOM 1217 N ALA C 81 -1.600 -4.841 -3.758 1.00 0.00 N ATOM 1218 CA ALA C 81 -2.197 -5.208 -2.485 1.00 0.00 C ATOM 1219 C ALA C 81 -2.067 -4.078 -1.469 1.00 0.00 C ATOM 1220 O ALA C 81 -3.028 -3.733 -0.776 1.00 0.00 O ATOM 1221 CB ALA C 81 -1.553 -6.478 -1.948 1.00 0.00 C ATOM 0 H ALA C 81 -0.669 -5.226 -3.917 1.00 0.00 H new ATOM 0 HA ALA C 81 -3.259 -5.392 -2.650 1.00 0.00 H new ATOM 0 HB1 ALA C 81 -2.009 -6.742 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA C 81 -1.703 -7.291 -2.659 1.00 0.00 H new ATOM 0 HB3 ALA C 81 -0.485 -6.312 -1.806 1.00 0.00 H new ATOM 1227 N PHE C 82 -0.887 -3.476 -1.410 1.00 0.00 N ATOM 1228 CA PHE C 82 -0.586 -2.498 -0.375 1.00 0.00 C ATOM 1229 C PHE C 82 -1.163 -1.120 -0.722 1.00 0.00 C ATOM 1230 O PHE C 82 -1.469 -0.324 0.163 1.00 0.00 O ATOM 1231 CB PHE C 82 0.926 -2.417 -0.157 1.00 0.00 C ATOM 1232 CG PHE C 82 1.319 -2.339 1.292 1.00 0.00 C ATOM 1233 CD1 PHE C 82 1.696 -1.137 1.860 1.00 0.00 C ATOM 1234 CD2 PHE C 82 1.306 -3.474 2.087 1.00 0.00 C ATOM 1235 CE1 PHE C 82 2.052 -1.063 3.193 1.00 0.00 C ATOM 1236 CE2 PHE C 82 1.662 -3.409 3.418 1.00 0.00 C ATOM 1237 CZ PHE C 82 2.034 -2.201 3.973 1.00 0.00 C ATOM 0 H PHE C 82 -0.124 -3.647 -2.065 1.00 0.00 H new ATOM 0 HA PHE C 82 -1.059 -2.824 0.552 1.00 0.00 H new ATOM 0 HB2 PHE C 82 1.397 -3.291 -0.607 1.00 0.00 H new ATOM 0 HB3 PHE C 82 1.314 -1.542 -0.678 1.00 0.00 H new ATOM 0 HD1 PHE C 82 1.713 -0.243 1.254 1.00 0.00 H new ATOM 0 HD2 PHE C 82 1.013 -4.421 1.659 1.00 0.00 H new ATOM 0 HE1 PHE C 82 2.344 -0.116 3.623 1.00 0.00 H new ATOM 0 HE2 PHE C 82 1.650 -4.302 4.025 1.00 0.00 H new ATOM 0 HZ PHE C 82 2.310 -2.147 5.016 1.00 0.00 H new ATOM 1247 N GLU C 83 -1.319 -0.840 -2.008 1.00 0.00 N ATOM 1248 CA GLU C 83 -1.925 0.413 -2.443 1.00 0.00 C ATOM 1249 C GLU C 83 -3.436 0.377 -2.211 1.00 0.00 C ATOM 1250 O GLU C 83 -4.048 1.387 -1.863 1.00 0.00 O ATOM 1251 CB GLU C 83 -1.610 0.675 -3.928 1.00 0.00 C ATOM 1252 CG GLU C 83 -2.249 1.936 -4.492 1.00 0.00 C ATOM 1253 CD GLU C 83 -2.179 2.006 -6.008 1.00 0.00 C ATOM 1254 OE1 GLU C 83 -3.242 1.901 -6.659 1.00 0.00 O ATOM 1255 OE2 GLU C 83 -1.072 2.167 -6.559 1.00 0.00 O ATOM 0 H GLU C 83 -1.036 -1.460 -2.767 1.00 0.00 H new ATOM 0 HA GLU C 83 -1.504 1.228 -1.855 1.00 0.00 H new ATOM 0 HB2 GLU C 83 -0.529 0.743 -4.051 1.00 0.00 H new ATOM 0 HB3 GLU C 83 -1.944 -0.181 -4.514 1.00 0.00 H new ATOM 0 HG2 GLU C 83 -3.292 1.980 -4.179 1.00 0.00 H new ATOM 0 HG3 GLU C 83 -1.752 2.809 -4.069 1.00 0.00 H new ATOM 1262 N ALA C 84 -4.016 -0.809 -2.329 1.00 0.00 N ATOM 1263 CA ALA C 84 -5.464 -0.963 -2.314 1.00 0.00 C ATOM 1264 C ALA C 84 -6.026 -0.801 -0.916 1.00 0.00 C ATOM 1265 O ALA C 84 -6.793 0.120 -0.647 1.00 0.00 O ATOM 1266 CB ALA C 84 -5.856 -2.317 -2.880 1.00 0.00 C ATOM 0 H ALA C 84 -3.502 -1.684 -2.437 1.00 0.00 H new ATOM 0 HA ALA C 84 -5.887 -0.177 -2.939 1.00 0.00 H new ATOM 0 HB1 ALA C 84 -6.941 -2.418 -2.863 1.00 0.00 H new ATOM 0 HB2 ALA C 84 -5.500 -2.399 -3.907 1.00 0.00 H new ATOM 0 HB3 ALA C 84 -5.408 -3.107 -2.277 1.00 0.00 H new ATOM 1272 N ASN C 85 -5.627 -1.677 -0.018 1.00 0.00 N ATOM 1273 CA ASN C 85 -6.211 -1.700 1.310 1.00 0.00 C ATOM 1274 C ASN C 85 -5.709 -0.557 2.180 1.00 0.00 C ATOM 1275 O ASN C 85 -6.399 -0.138 3.106 1.00 0.00 O ATOM 1276 CB ASN C 85 -5.946 -3.039 1.989 1.00 0.00 C ATOM 1277 CG ASN C 85 -6.790 -4.138 1.385 1.00 0.00 C ATOM 1278 OD1 ASN C 85 -7.898 -3.892 0.907 1.00 0.00 O ATOM 1279 ND2 ASN C 85 -6.280 -5.351 1.395 1.00 0.00 N ATOM 0 H ASN C 85 -4.905 -2.379 -0.180 1.00 0.00 H new ATOM 0 HA ASN C 85 -7.286 -1.568 1.189 1.00 0.00 H new ATOM 0 HB2 ASN C 85 -4.891 -3.294 1.894 1.00 0.00 H new ATOM 0 HB3 ASN C 85 -6.160 -2.957 3.055 1.00 0.00 H new ATOM 0 HD21 ASN C 85 -6.806 -6.129 0.997 1.00 0.00 H new ATOM 0 HD22 ASN C 85 -5.358 -5.513 1.801 1.00 0.00 H new ATOM 1286 N TYR C 86 -4.520 -0.041 1.887 1.00 0.00 N ATOM 1287 CA TYR C 86 -3.915 0.954 2.770 1.00 0.00 C ATOM 1288 C TYR C 86 -4.169 2.389 2.314 1.00 0.00 C ATOM 1289 O TYR C 86 -4.735 3.183 3.059 1.00 0.00 O ATOM 1290 CB TYR C 86 -2.426 0.675 2.915 1.00 0.00 C ATOM 1291 CG TYR C 86 -2.154 -0.716 3.439 1.00 0.00 C ATOM 1292 CD1 TYR C 86 -2.299 -1.816 2.613 1.00 0.00 C ATOM 1293 CD2 TYR C 86 -1.775 -0.931 4.755 1.00 0.00 C ATOM 1294 CE1 TYR C 86 -2.073 -3.088 3.070 1.00 0.00 C ATOM 1295 CE2 TYR C 86 -1.541 -2.208 5.228 1.00 0.00 C ATOM 1296 CZ TYR C 86 -1.693 -3.285 4.381 1.00 0.00 C ATOM 1297 OH TYR C 86 -1.458 -4.560 4.845 1.00 0.00 O ATOM 0 H TYR C 86 -3.966 -0.286 1.066 1.00 0.00 H new ATOM 0 HA TYR C 86 -4.395 0.863 3.744 1.00 0.00 H new ATOM 0 HB2 TYR C 86 -1.939 0.799 1.948 1.00 0.00 H new ATOM 0 HB3 TYR C 86 -1.985 1.408 3.590 1.00 0.00 H new ATOM 0 HD1 TYR C 86 -2.597 -1.669 1.585 1.00 0.00 H new ATOM 0 HD2 TYR C 86 -1.661 -0.088 5.420 1.00 0.00 H new ATOM 0 HE1 TYR C 86 -2.192 -3.932 2.407 1.00 0.00 H new ATOM 0 HE2 TYR C 86 -1.241 -2.361 6.254 1.00 0.00 H new ATOM 0 HH TYR C 86 -1.198 -4.522 5.789 1.00 0.00 H new ATOM 1307 N THR C 87 -3.768 2.731 1.099 1.00 0.00 N ATOM 1308 CA THR C 87 -3.968 4.098 0.613 1.00 0.00 C ATOM 1309 C THR C 87 -5.367 4.294 0.030 1.00 0.00 C ATOM 1310 O THR C 87 -6.020 5.303 0.300 1.00 0.00 O ATOM 1311 CB THR C 87 -2.920 4.493 -0.451 1.00 0.00 C ATOM 1312 OG1 THR C 87 -3.173 3.837 -1.702 1.00 0.00 O ATOM 1313 CG2 THR C 87 -1.529 4.129 0.013 1.00 0.00 C ATOM 0 H THR C 87 -3.311 2.100 0.440 1.00 0.00 H new ATOM 0 HA THR C 87 -3.850 4.745 1.482 1.00 0.00 H new ATOM 0 HB THR C 87 -2.995 5.571 -0.591 1.00 0.00 H new ATOM 0 HG1 THR C 87 -3.509 2.932 -1.535 1.00 0.00 H new ATOM 0 HG21 THR C 87 -0.805 4.415 -0.750 1.00 0.00 H new ATOM 0 HG22 THR C 87 -1.306 4.655 0.941 1.00 0.00 H new ATOM 0 HG23 THR C 87 -1.472 3.054 0.183 1.00 0.00 H new