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 64:sc= 0.157 USER MOD Set 1.2: C 80 THR OG1 : rot 180:sc= 0.16 USER MOD Set 2.1: C 77 MET CE :methyl 176:sc= -2.11 (180deg=-2.15!) USER MOD Set 2.2: C 86 TYR OH : rot 104:sc= 0.832 USER MOD Set 3.1: C 51 SER OG : rot 180:sc= 1.18 USER MOD Set 3.2: C 54 THR OG1 : rot 98:sc= 1.22 USER MOD Set 4.1: C 27 LYS NZ :NH3+ 137:sc= 1.48 (180deg=-2.25!) USER MOD Set 4.2: C 48 GLN : amide:sc= 0.0778 K(o=1.6,f=-7.9!) USER MOD Single : C 13 TYR OH : rot 180:sc= 0 USER MOD Single : C 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 20 TYR OH : rot 180:sc= -1.75! USER MOD Single : C 22 SER OG : rot 180:sc= 0 USER MOD Single : C 30 LYS NZ :NH3+ -164:sc= -0.0635 (180deg=-0.322) USER MOD Single : C 31 TYR OH : rot 180:sc= 0 USER MOD Single : C 33 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.27) USER MOD Single : C 36 SER OG : rot -117:sc= 0.177 USER MOD Single : C 38 ASN : amide:sc= -0.487 X(o=-0.49,f=-0.87) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 50 MET CE :methyl 164:sc= -0.106 (180deg=-0.475) USER MOD Single : C 53 GLN : amide:sc= -1.5! C(o=-1.5!,f=-5.1!) USER MOD Single : C 59 LYS NZ :NH3+ -164:sc= -0.0736 (180deg=-0.351) USER MOD Single : C 65 TYR OH : rot 180:sc= 0 USER MOD Single : C 69 SER OG : rot 180:sc= 0 USER MOD Single : C 70 GLN : amide:sc= 0.24 K(o=0.24,f=-3.8!) USER MOD Single : C 71 TYR OH : rot 180:sc= 0 USER MOD Single : C 76 TYR OH : rot -98:sc= 1.31 USER MOD Single : C 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 85 ASN :FLIP amide:sc= 0.346 F(o=-2!,f=0.35) USER MOD Single : C 87 THR OG1 : rot 97:sc= -3.57! USER MOD ----------------------------------------------------------------- ATOM 167 N LEU C 12 3.495 9.709 -1.917 1.00 0.00 N ATOM 168 CA LEU C 12 3.731 8.587 -1.024 1.00 0.00 C ATOM 169 C LEU C 12 2.463 8.289 -0.235 1.00 0.00 C ATOM 170 O LEU C 12 1.688 9.195 0.079 1.00 0.00 O ATOM 171 CB LEU C 12 4.920 8.883 -0.106 1.00 0.00 C ATOM 172 CG LEU C 12 6.247 9.122 -0.842 1.00 0.00 C ATOM 173 CD1 LEU C 12 7.350 9.491 0.135 1.00 0.00 C ATOM 174 CD2 LEU C 12 6.648 7.892 -1.647 1.00 0.00 C ATOM 0 HA LEU C 12 3.983 7.699 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU C 12 4.689 9.762 0.495 1.00 0.00 H new ATOM 0 HB3 LEU C 12 5.047 8.049 0.584 1.00 0.00 H new ATOM 0 HG LEU C 12 6.102 9.955 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU C 12 8.279 9.655 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU C 12 7.075 10.402 0.667 1.00 0.00 H new ATOM 0 HD13 LEU C 12 7.488 8.681 0.851 1.00 0.00 H new ATOM 0 HD21 LEU C 12 7.590 8.084 -2.160 1.00 0.00 H new ATOM 0 HD22 LEU C 12 6.767 7.041 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU C 12 5.874 7.670 -2.382 1.00 0.00 H new ATOM 186 N TYR C 13 2.246 7.021 0.076 1.00 0.00 N ATOM 187 CA TYR C 13 0.935 6.570 0.518 1.00 0.00 C ATOM 188 C TYR C 13 0.933 6.166 1.991 1.00 0.00 C ATOM 189 O TYR C 13 1.882 6.452 2.720 1.00 0.00 O ATOM 190 CB TYR C 13 0.471 5.414 -0.357 1.00 0.00 C ATOM 191 CG TYR C 13 0.392 5.742 -1.831 1.00 0.00 C ATOM 192 CD1 TYR C 13 -0.644 6.515 -2.337 1.00 0.00 C ATOM 193 CD2 TYR C 13 1.353 5.270 -2.717 1.00 0.00 C ATOM 194 CE1 TYR C 13 -0.721 6.808 -3.687 1.00 0.00 C ATOM 195 CE2 TYR C 13 1.284 5.560 -4.065 1.00 0.00 C ATOM 196 CZ TYR C 13 0.246 6.328 -4.546 1.00 0.00 C ATOM 197 OH TYR C 13 0.175 6.618 -5.892 1.00 0.00 O ATOM 0 H TYR C 13 2.955 6.289 0.031 1.00 0.00 H new ATOM 0 HA TYR C 13 0.240 7.404 0.418 1.00 0.00 H new ATOM 0 HB2 TYR C 13 1.152 4.574 -0.220 1.00 0.00 H new ATOM 0 HB3 TYR C 13 -0.511 5.087 -0.016 1.00 0.00 H new ATOM 0 HD1 TYR C 13 -1.401 6.893 -1.667 1.00 0.00 H new ATOM 0 HD2 TYR C 13 2.167 4.666 -2.345 1.00 0.00 H new ATOM 0 HE1 TYR C 13 -1.534 7.409 -4.066 1.00 0.00 H new ATOM 0 HE2 TYR C 13 2.040 5.187 -4.740 1.00 0.00 H new ATOM 0 HH TYR C 13 0.933 6.205 -6.356 1.00 0.00 H new ATOM 207 N LYS C 14 -0.142 5.502 2.430 1.00 0.00 N ATOM 208 CA LYS C 14 -0.381 5.305 3.843 1.00 0.00 C ATOM 209 C LYS C 14 -1.317 4.128 4.053 1.00 0.00 C ATOM 210 O LYS C 14 -1.986 3.674 3.121 1.00 0.00 O ATOM 211 CB LYS C 14 -0.968 6.581 4.476 1.00 0.00 C ATOM 212 CG LYS C 14 -2.406 6.915 4.068 1.00 0.00 C ATOM 213 CD LYS C 14 -2.573 7.110 2.563 1.00 0.00 C ATOM 214 CE LYS C 14 -1.798 8.305 2.035 1.00 0.00 C ATOM 215 NZ LYS C 14 -2.422 9.591 2.422 1.00 0.00 N ATOM 0 H LYS C 14 -0.852 5.097 1.820 1.00 0.00 H new ATOM 0 HA LYS C 14 0.569 5.089 4.331 1.00 0.00 H new ATOM 0 HB2 LYS C 14 -0.931 6.478 5.561 1.00 0.00 H new ATOM 0 HB3 LYS C 14 -0.329 7.424 4.213 1.00 0.00 H new ATOM 0 HG2 LYS C 14 -3.067 6.114 4.400 1.00 0.00 H new ATOM 0 HG3 LYS C 14 -2.722 7.822 4.583 1.00 0.00 H new ATOM 0 HD2 LYS C 14 -2.241 6.210 2.046 1.00 0.00 H new ATOM 0 HD3 LYS C 14 -3.631 7.238 2.333 1.00 0.00 H new ATOM 0 HE2 LYS C 14 -0.777 8.270 2.414 1.00 0.00 H new ATOM 0 HE3 LYS C 14 -1.737 8.245 0.948 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 -1.860 10.378 2.040 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 -3.388 9.637 2.039 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 -2.457 9.662 3.459 1.00 0.00 H new ATOM 229 N ASP C 15 -1.357 3.651 5.278 1.00 0.00 N ATOM 230 CA ASP C 15 -2.182 2.502 5.636 1.00 0.00 C ATOM 231 C ASP C 15 -3.460 2.918 6.378 1.00 0.00 C ATOM 232 O ASP C 15 -4.082 3.923 6.035 1.00 0.00 O ATOM 233 CB ASP C 15 -1.375 1.468 6.444 1.00 0.00 C ATOM 234 CG ASP C 15 -0.717 2.032 7.688 1.00 0.00 C ATOM 235 OD1 ASP C 15 -1.439 2.485 8.600 1.00 0.00 O ATOM 236 OD2 ASP C 15 0.528 1.991 7.767 1.00 0.00 O ATOM 0 H ASP C 15 -0.824 4.041 6.055 1.00 0.00 H new ATOM 0 HA ASP C 15 -2.495 2.029 4.705 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -2.037 0.652 6.734 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -0.606 1.040 5.801 1.00 0.00 H new ATOM 241 N ALA C 16 -3.823 2.154 7.406 1.00 0.00 N ATOM 242 CA ALA C 16 -5.177 2.158 7.961 1.00 0.00 C ATOM 243 C ALA C 16 -5.571 3.508 8.552 1.00 0.00 C ATOM 244 O ALA C 16 -6.541 4.125 8.109 1.00 0.00 O ATOM 245 CB ALA C 16 -5.304 1.062 9.029 1.00 0.00 C ATOM 0 H ALA C 16 -3.186 1.513 7.879 1.00 0.00 H new ATOM 0 HA ALA C 16 -5.862 1.961 7.136 1.00 0.00 H new ATOM 0 HB1 ALA C 16 -6.314 1.069 9.439 1.00 0.00 H new ATOM 0 HB2 ALA C 16 -5.102 0.090 8.579 1.00 0.00 H new ATOM 0 HB3 ALA C 16 -4.586 1.248 9.828 1.00 0.00 H new ATOM 251 N ASP C 17 -4.831 3.966 9.552 1.00 0.00 N ATOM 252 CA ASP C 17 -5.175 5.208 10.235 1.00 0.00 C ATOM 253 C ASP C 17 -4.435 6.364 9.600 1.00 0.00 C ATOM 254 O ASP C 17 -4.652 7.526 9.941 1.00 0.00 O ATOM 255 CB ASP C 17 -4.855 5.128 11.732 1.00 0.00 C ATOM 256 CG ASP C 17 -3.371 5.026 12.023 1.00 0.00 C ATOM 257 OD1 ASP C 17 -2.731 6.071 12.277 1.00 0.00 O ATOM 258 OD2 ASP C 17 -2.842 3.896 12.020 1.00 0.00 O ATOM 0 H ASP C 17 -3.995 3.502 9.907 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.248 5.368 10.133 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.256 6.011 12.230 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -5.362 4.263 12.159 1.00 0.00 H new ATOM 263 N GLY C 18 -3.573 6.034 8.658 1.00 0.00 N ATOM 264 CA GLY C 18 -2.829 7.051 7.968 1.00 0.00 C ATOM 265 C GLY C 18 -1.362 7.047 8.327 1.00 0.00 C ATOM 266 O GLY C 18 -0.704 8.087 8.272 1.00 0.00 O ATOM 0 H GLY C 18 -3.377 5.078 8.360 1.00 0.00 H new ATOM 0 HA2 GLY C 18 -2.936 6.907 6.893 1.00 0.00 H new ATOM 0 HA3 GLY C 18 -3.253 8.027 8.202 1.00 0.00 H new ATOM 270 N VAL C 19 -0.847 5.882 8.704 1.00 0.00 N ATOM 271 CA VAL C 19 0.576 5.743 8.991 1.00 0.00 C ATOM 272 C VAL C 19 1.371 5.984 7.715 1.00 0.00 C ATOM 273 O VAL C 19 1.093 5.382 6.678 1.00 0.00 O ATOM 274 CB VAL C 19 0.904 4.350 9.572 1.00 0.00 C ATOM 275 CG1 VAL C 19 2.409 4.134 9.667 1.00 0.00 C ATOM 276 CG2 VAL C 19 0.262 4.182 10.939 1.00 0.00 C ATOM 0 H VAL C 19 -1.389 5.026 8.817 1.00 0.00 H new ATOM 0 HA VAL C 19 0.851 6.483 9.743 1.00 0.00 H new ATOM 0 HB VAL C 19 0.496 3.599 8.895 1.00 0.00 H new ATOM 0 HG11 VAL C 19 2.609 3.145 10.079 1.00 0.00 H new ATOM 0 HG12 VAL C 19 2.851 4.209 8.673 1.00 0.00 H new ATOM 0 HG13 VAL C 19 2.845 4.893 10.316 1.00 0.00 H new ATOM 0 HG21 VAL C 19 0.502 3.195 11.335 1.00 0.00 H new ATOM 0 HG22 VAL C 19 0.642 4.947 11.616 1.00 0.00 H new ATOM 0 HG23 VAL C 19 -0.820 4.283 10.848 1.00 0.00 H new ATOM 286 N TYR C 20 2.340 6.881 7.794 1.00 0.00 N ATOM 287 CA TYR C 20 3.062 7.323 6.620 1.00 0.00 C ATOM 288 C TYR C 20 4.155 6.346 6.254 1.00 0.00 C ATOM 289 O TYR C 20 4.908 5.858 7.102 1.00 0.00 O ATOM 290 CB TYR C 20 3.648 8.703 6.854 1.00 0.00 C ATOM 291 CG TYR C 20 4.308 9.336 5.650 1.00 0.00 C ATOM 292 CD1 TYR C 20 3.576 9.643 4.511 1.00 0.00 C ATOM 293 CD2 TYR C 20 5.660 9.655 5.669 1.00 0.00 C ATOM 294 CE1 TYR C 20 4.173 10.249 3.422 1.00 0.00 C ATOM 295 CE2 TYR C 20 6.265 10.256 4.584 1.00 0.00 C ATOM 296 CZ TYR C 20 5.517 10.553 3.465 1.00 0.00 C ATOM 297 OH TYR C 20 6.114 11.165 2.389 1.00 0.00 O ATOM 0 H TYR C 20 2.643 7.317 8.665 1.00 0.00 H new ATOM 0 HA TYR C 20 2.359 7.372 5.788 1.00 0.00 H new ATOM 0 HB2 TYR C 20 2.853 9.363 7.201 1.00 0.00 H new ATOM 0 HB3 TYR C 20 4.382 8.637 7.657 1.00 0.00 H new ATOM 0 HD1 TYR C 20 2.523 9.404 4.475 1.00 0.00 H new ATOM 0 HD2 TYR C 20 6.247 9.429 6.547 1.00 0.00 H new ATOM 0 HE1 TYR C 20 3.591 10.483 2.543 1.00 0.00 H new ATOM 0 HE2 TYR C 20 7.318 10.492 4.612 1.00 0.00 H new ATOM 0 HH TYR C 20 7.064 11.311 2.581 1.00 0.00 H new ATOM 307 N VAL C 21 4.208 6.072 4.978 1.00 0.00 N ATOM 308 CA VAL C 21 5.142 5.105 4.418 1.00 0.00 C ATOM 309 C VAL C 21 5.521 5.455 2.979 1.00 0.00 C ATOM 310 O VAL C 21 4.665 5.753 2.140 1.00 0.00 O ATOM 311 CB VAL C 21 4.590 3.649 4.518 1.00 0.00 C ATOM 312 CG1 VAL C 21 3.073 3.638 4.614 1.00 0.00 C ATOM 313 CG2 VAL C 21 5.032 2.788 3.342 1.00 0.00 C ATOM 0 H VAL C 21 3.603 6.512 4.284 1.00 0.00 H new ATOM 0 HA VAL C 21 6.051 5.154 5.017 1.00 0.00 H new ATOM 0 HB VAL C 21 5.008 3.223 5.430 1.00 0.00 H new ATOM 0 HG11 VAL C 21 2.720 2.609 4.682 1.00 0.00 H new ATOM 0 HG12 VAL C 21 2.761 4.188 5.501 1.00 0.00 H new ATOM 0 HG13 VAL C 21 2.649 4.109 3.727 1.00 0.00 H new ATOM 0 HG21 VAL C 21 4.625 1.783 3.453 1.00 0.00 H new ATOM 0 HG22 VAL C 21 4.668 3.226 2.413 1.00 0.00 H new ATOM 0 HG23 VAL C 21 6.121 2.738 3.317 1.00 0.00 H new ATOM 323 N SER C 22 6.818 5.429 2.712 1.00 0.00 N ATOM 324 CA SER C 22 7.339 5.668 1.382 1.00 0.00 C ATOM 325 C SER C 22 7.453 4.345 0.630 1.00 0.00 C ATOM 326 O SER C 22 7.639 3.291 1.243 1.00 0.00 O ATOM 327 CB SER C 22 8.712 6.344 1.479 1.00 0.00 C ATOM 328 OG SER C 22 9.219 6.682 0.199 1.00 0.00 O ATOM 0 H SER C 22 7.535 5.242 3.413 1.00 0.00 H new ATOM 0 HA SER C 22 6.660 6.325 0.838 1.00 0.00 H new ATOM 0 HB2 SER C 22 8.633 7.244 2.089 1.00 0.00 H new ATOM 0 HB3 SER C 22 9.411 5.678 1.984 1.00 0.00 H new ATOM 0 HG SER C 22 10.094 7.112 0.297 1.00 0.00 H new ATOM 334 N ALA C 23 7.352 4.401 -0.690 1.00 0.00 N ATOM 335 CA ALA C 23 7.456 3.205 -1.502 1.00 0.00 C ATOM 336 C ALA C 23 8.793 3.183 -2.208 1.00 0.00 C ATOM 337 O ALA C 23 9.100 4.051 -3.027 1.00 0.00 O ATOM 338 CB ALA C 23 6.324 3.123 -2.509 1.00 0.00 C ATOM 0 H ALA C 23 7.199 5.261 -1.217 1.00 0.00 H new ATOM 0 HA ALA C 23 7.380 2.337 -0.848 1.00 0.00 H new ATOM 0 HB1 ALA C 23 6.430 2.215 -3.103 1.00 0.00 H new ATOM 0 HB2 ALA C 23 5.370 3.103 -1.983 1.00 0.00 H new ATOM 0 HB3 ALA C 23 6.358 3.992 -3.166 1.00 0.00 H new ATOM 344 N LEU C 24 9.583 2.195 -1.868 1.00 0.00 N ATOM 345 CA LEU C 24 10.918 2.053 -2.412 1.00 0.00 C ATOM 346 C LEU C 24 11.008 0.744 -3.183 1.00 0.00 C ATOM 347 O LEU C 24 11.190 -0.306 -2.583 1.00 0.00 O ATOM 348 CB LEU C 24 11.928 2.077 -1.264 1.00 0.00 C ATOM 349 CG LEU C 24 11.761 3.253 -0.294 1.00 0.00 C ATOM 350 CD1 LEU C 24 12.519 2.996 0.996 1.00 0.00 C ATOM 351 CD2 LEU C 24 12.231 4.552 -0.934 1.00 0.00 C ATOM 0 H LEU C 24 9.322 1.464 -1.206 1.00 0.00 H new ATOM 0 HA LEU C 24 11.140 2.874 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU C 24 11.844 1.146 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU C 24 12.934 2.108 -1.683 1.00 0.00 H new ATOM 0 HG LEU C 24 10.701 3.349 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU C 24 12.387 3.842 1.670 1.00 0.00 H new ATOM 0 HD12 LEU C 24 12.136 2.092 1.469 1.00 0.00 H new ATOM 0 HD13 LEU C 24 13.579 2.869 0.776 1.00 0.00 H new ATOM 0 HD21 LEU C 24 12.103 5.373 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU C 24 13.284 4.465 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU C 24 11.643 4.750 -1.830 1.00 0.00 H new ATOM 363 N PRO C 25 10.884 0.773 -4.518 1.00 0.00 N ATOM 364 CA PRO C 25 10.809 -0.457 -5.310 1.00 0.00 C ATOM 365 C PRO C 25 12.117 -1.232 -5.251 1.00 0.00 C ATOM 366 O PRO C 25 13.178 -0.648 -5.041 1.00 0.00 O ATOM 367 CB PRO C 25 10.539 0.043 -6.738 1.00 0.00 C ATOM 368 CG PRO C 25 10.124 1.469 -6.586 1.00 0.00 C ATOM 369 CD PRO C 25 10.846 1.973 -5.373 1.00 0.00 C ATOM 0 HA PRO C 25 10.042 -1.141 -4.945 1.00 0.00 H new ATOM 0 HB2 PRO C 25 11.430 -0.043 -7.360 1.00 0.00 H new ATOM 0 HB3 PRO C 25 9.757 -0.545 -7.219 1.00 0.00 H new ATOM 0 HG2 PRO C 25 10.389 2.050 -7.469 1.00 0.00 H new ATOM 0 HG3 PRO C 25 9.044 1.552 -6.462 1.00 0.00 H new ATOM 0 HD2 PRO C 25 11.846 2.334 -5.614 1.00 0.00 H new ATOM 0 HD3 PRO C 25 10.316 2.797 -4.896 1.00 0.00 H new ATOM 377 N ILE C 26 12.049 -2.546 -5.404 1.00 0.00 N ATOM 378 CA ILE C 26 13.263 -3.337 -5.468 1.00 0.00 C ATOM 379 C ILE C 26 13.798 -3.285 -6.885 1.00 0.00 C ATOM 380 O ILE C 26 13.358 -4.022 -7.771 1.00 0.00 O ATOM 381 CB ILE C 26 13.052 -4.793 -5.022 1.00 0.00 C ATOM 382 CG1 ILE C 26 12.383 -4.817 -3.643 1.00 0.00 C ATOM 383 CG2 ILE C 26 14.393 -5.516 -4.985 1.00 0.00 C ATOM 384 CD1 ILE C 26 12.102 -6.205 -3.114 1.00 0.00 C ATOM 0 H ILE C 26 11.182 -3.077 -5.485 1.00 0.00 H new ATOM 0 HA ILE C 26 13.984 -2.911 -4.771 1.00 0.00 H new ATOM 0 HB ILE C 26 12.402 -5.305 -5.732 1.00 0.00 H new ATOM 0 HG12 ILE C 26 13.022 -4.292 -2.933 1.00 0.00 H new ATOM 0 HG13 ILE C 26 11.445 -4.264 -3.697 1.00 0.00 H new ATOM 0 HG21 ILE C 26 14.241 -6.548 -4.669 1.00 0.00 H new ATOM 0 HG22 ILE C 26 14.841 -5.503 -5.979 1.00 0.00 H new ATOM 0 HG23 ILE C 26 15.057 -5.015 -4.281 1.00 0.00 H new ATOM 0 HD11 ILE C 26 11.629 -6.132 -2.135 1.00 0.00 H new ATOM 0 HD12 ILE C 26 11.437 -6.728 -3.801 1.00 0.00 H new ATOM 0 HD13 ILE C 26 13.038 -6.757 -3.024 1.00 0.00 H new ATOM 396 N LYS C 27 14.758 -2.404 -7.069 1.00 0.00 N ATOM 397 CA LYS C 27 15.165 -1.954 -8.378 1.00 0.00 C ATOM 398 C LYS C 27 16.202 -2.897 -8.967 1.00 0.00 C ATOM 399 O LYS C 27 15.984 -3.511 -10.012 1.00 0.00 O ATOM 400 CB LYS C 27 15.713 -0.528 -8.239 1.00 0.00 C ATOM 401 CG LYS C 27 15.364 0.123 -6.892 1.00 0.00 C ATOM 402 CD LYS C 27 16.378 -0.230 -5.799 1.00 0.00 C ATOM 403 CE LYS C 27 15.965 0.339 -4.451 1.00 0.00 C ATOM 404 NZ LYS C 27 17.005 0.128 -3.407 1.00 0.00 N ATOM 0 H LYS C 27 15.282 -1.977 -6.305 1.00 0.00 H new ATOM 0 HA LYS C 27 14.316 -1.951 -9.062 1.00 0.00 H new ATOM 0 HB2 LYS C 27 16.797 -0.549 -8.356 1.00 0.00 H new ATOM 0 HB3 LYS C 27 15.317 0.087 -9.047 1.00 0.00 H new ATOM 0 HG2 LYS C 27 15.325 1.206 -7.013 1.00 0.00 H new ATOM 0 HG3 LYS C 27 14.370 -0.199 -6.581 1.00 0.00 H new ATOM 0 HD2 LYS C 27 16.472 -1.313 -5.724 1.00 0.00 H new ATOM 0 HD3 LYS C 27 17.359 0.157 -6.073 1.00 0.00 H new ATOM 0 HE2 LYS C 27 15.768 1.406 -4.554 1.00 0.00 H new ATOM 0 HE3 LYS C 27 15.033 -0.128 -4.132 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 17.112 0.996 -2.844 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 16.719 -0.655 -2.785 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 17.911 -0.104 -3.862 1.00 0.00 H new ATOM 418 N ALA C 28 17.319 -3.013 -8.281 1.00 0.00 N ATOM 419 CA ALA C 28 18.361 -3.944 -8.659 1.00 0.00 C ATOM 420 C ALA C 28 19.173 -4.313 -7.435 1.00 0.00 C ATOM 421 O ALA C 28 19.213 -3.550 -6.471 1.00 0.00 O ATOM 422 CB ALA C 28 19.258 -3.333 -9.720 1.00 0.00 C ATOM 0 H ALA C 28 17.530 -2.466 -7.447 1.00 0.00 H new ATOM 0 HA ALA C 28 17.905 -4.843 -9.074 1.00 0.00 H new ATOM 0 HB1 ALA C 28 20.036 -4.046 -9.993 1.00 0.00 H new ATOM 0 HB2 ALA C 28 18.665 -3.088 -10.601 1.00 0.00 H new ATOM 0 HB3 ALA C 28 19.718 -2.426 -9.329 1.00 0.00 H new ATOM 428 N ILE C 29 19.793 -5.480 -7.454 1.00 0.00 N ATOM 429 CA ILE C 29 20.653 -5.896 -6.356 1.00 0.00 C ATOM 430 C ILE C 29 21.882 -6.614 -6.884 1.00 0.00 C ATOM 431 O ILE C 29 21.821 -7.357 -7.864 1.00 0.00 O ATOM 432 CB ILE C 29 19.921 -6.808 -5.332 1.00 0.00 C ATOM 433 CG1 ILE C 29 18.770 -6.065 -4.646 1.00 0.00 C ATOM 434 CG2 ILE C 29 20.893 -7.316 -4.275 1.00 0.00 C ATOM 435 CD1 ILE C 29 17.780 -6.981 -3.961 1.00 0.00 C ATOM 0 H ILE C 29 19.719 -6.156 -8.214 1.00 0.00 H new ATOM 0 HA ILE C 29 20.950 -4.986 -5.835 1.00 0.00 H new ATOM 0 HB ILE C 29 19.511 -7.653 -5.885 1.00 0.00 H new ATOM 0 HG12 ILE C 29 19.182 -5.374 -3.910 1.00 0.00 H new ATOM 0 HG13 ILE C 29 18.243 -5.464 -5.388 1.00 0.00 H new ATOM 0 HG21 ILE C 29 20.361 -7.952 -3.568 1.00 0.00 H new ATOM 0 HG22 ILE C 29 21.685 -7.890 -4.755 1.00 0.00 H new ATOM 0 HG23 ILE C 29 21.329 -6.469 -3.745 1.00 0.00 H new ATOM 0 HD11 ILE C 29 16.994 -6.385 -3.498 1.00 0.00 H new ATOM 0 HD12 ILE C 29 17.340 -7.655 -4.696 1.00 0.00 H new ATOM 0 HD13 ILE C 29 18.293 -7.564 -3.196 1.00 0.00 H new ATOM 447 N LYS C 30 22.993 -6.370 -6.217 1.00 0.00 N ATOM 448 CA LYS C 30 24.268 -6.957 -6.574 1.00 0.00 C ATOM 449 C LYS C 30 24.967 -7.441 -5.315 1.00 0.00 C ATOM 450 O LYS C 30 25.143 -6.677 -4.370 1.00 0.00 O ATOM 451 CB LYS C 30 25.152 -5.933 -7.295 1.00 0.00 C ATOM 452 CG LYS C 30 24.590 -5.448 -8.626 1.00 0.00 C ATOM 453 CD LYS C 30 24.586 -6.548 -9.680 1.00 0.00 C ATOM 454 CE LYS C 30 25.998 -6.920 -10.112 1.00 0.00 C ATOM 455 NZ LYS C 30 26.713 -5.773 -10.737 1.00 0.00 N ATOM 0 H LYS C 30 23.036 -5.754 -5.405 1.00 0.00 H new ATOM 0 HA LYS C 30 24.094 -7.797 -7.247 1.00 0.00 H new ATOM 0 HB2 LYS C 30 25.300 -5.073 -6.641 1.00 0.00 H new ATOM 0 HB3 LYS C 30 26.133 -6.375 -7.467 1.00 0.00 H new ATOM 0 HG2 LYS C 30 23.573 -5.084 -8.479 1.00 0.00 H new ATOM 0 HG3 LYS C 30 25.182 -4.606 -8.984 1.00 0.00 H new ATOM 0 HD2 LYS C 30 24.083 -7.430 -9.284 1.00 0.00 H new ATOM 0 HD3 LYS C 30 24.015 -6.218 -10.548 1.00 0.00 H new ATOM 0 HE2 LYS C 30 26.561 -7.270 -9.247 1.00 0.00 H new ATOM 0 HE3 LYS C 30 25.954 -7.748 -10.819 1.00 0.00 H new ATOM 0 HZ1 LYS C 30 27.545 -6.123 -11.253 1.00 0.00 H new ATOM 0 HZ2 LYS C 30 26.075 -5.285 -11.398 1.00 0.00 H new ATOM 0 HZ3 LYS C 30 27.018 -5.109 -9.997 1.00 0.00 H new ATOM 469 N TYR C 31 25.330 -8.706 -5.296 1.00 0.00 N ATOM 470 CA TYR C 31 26.028 -9.293 -4.166 1.00 0.00 C ATOM 471 C TYR C 31 27.520 -9.053 -4.296 1.00 0.00 C ATOM 472 O TYR C 31 28.152 -9.483 -5.262 1.00 0.00 O ATOM 473 CB TYR C 31 25.733 -10.790 -4.061 1.00 0.00 C ATOM 474 CG TYR C 31 24.273 -11.102 -3.817 1.00 0.00 C ATOM 475 CD1 TYR C 31 23.460 -11.564 -4.842 1.00 0.00 C ATOM 476 CD2 TYR C 31 23.706 -10.926 -2.559 1.00 0.00 C ATOM 477 CE1 TYR C 31 22.126 -11.846 -4.624 1.00 0.00 C ATOM 478 CE2 TYR C 31 22.372 -11.206 -2.334 1.00 0.00 C ATOM 479 CZ TYR C 31 21.586 -11.666 -3.370 1.00 0.00 C ATOM 480 OH TYR C 31 20.257 -11.950 -3.152 1.00 0.00 O ATOM 0 H TYR C 31 25.151 -9.357 -6.060 1.00 0.00 H new ATOM 0 HA TYR C 31 25.672 -8.815 -3.253 1.00 0.00 H new ATOM 0 HB2 TYR C 31 26.052 -11.280 -4.981 1.00 0.00 H new ATOM 0 HB3 TYR C 31 26.327 -11.213 -3.251 1.00 0.00 H new ATOM 0 HD1 TYR C 31 23.878 -11.706 -5.828 1.00 0.00 H new ATOM 0 HD2 TYR C 31 24.318 -10.565 -1.746 1.00 0.00 H new ATOM 0 HE1 TYR C 31 21.509 -12.206 -5.434 1.00 0.00 H new ATOM 0 HE2 TYR C 31 21.946 -11.065 -1.351 1.00 0.00 H new ATOM 0 HH TYR C 31 20.034 -11.771 -2.215 1.00 0.00 H new ATOM 490 N ALA C 32 28.066 -8.346 -3.326 1.00 0.00 N ATOM 491 CA ALA C 32 29.467 -7.978 -3.328 1.00 0.00 C ATOM 492 C ALA C 32 30.334 -9.068 -2.704 1.00 0.00 C ATOM 493 O ALA C 32 29.889 -10.205 -2.528 1.00 0.00 O ATOM 494 CB ALA C 32 29.650 -6.654 -2.598 1.00 0.00 C ATOM 0 H ALA C 32 27.549 -8.010 -2.513 1.00 0.00 H new ATOM 0 HA ALA C 32 29.791 -7.863 -4.362 1.00 0.00 H new ATOM 0 HB1 ALA C 32 30.705 -6.380 -2.601 1.00 0.00 H new ATOM 0 HB2 ALA C 32 29.072 -5.879 -3.101 1.00 0.00 H new ATOM 0 HB3 ALA C 32 29.304 -6.755 -1.569 1.00 0.00 H new ATOM 500 N ASN C 33 31.557 -8.708 -2.351 1.00 0.00 N ATOM 501 CA ASN C 33 32.552 -9.675 -1.879 1.00 0.00 C ATOM 502 C ASN C 33 32.147 -10.325 -0.555 1.00 0.00 C ATOM 503 O ASN C 33 32.363 -11.523 -0.355 1.00 0.00 O ATOM 504 CB ASN C 33 33.934 -9.012 -1.735 1.00 0.00 C ATOM 505 CG ASN C 33 33.986 -7.947 -0.650 1.00 0.00 C ATOM 506 OD1 ASN C 33 34.248 -8.243 0.514 1.00 0.00 O ATOM 507 ND2 ASN C 33 33.756 -6.699 -1.027 1.00 0.00 N ATOM 0 H ASN C 33 31.893 -7.745 -2.381 1.00 0.00 H new ATOM 0 HA ASN C 33 32.606 -10.461 -2.632 1.00 0.00 H new ATOM 0 HB2 ASN C 33 34.675 -9.780 -1.515 1.00 0.00 H new ATOM 0 HB3 ASN C 33 34.214 -8.563 -2.688 1.00 0.00 H new ATOM 0 HD21 ASN C 33 33.793 -5.944 -0.342 1.00 0.00 H new ATOM 0 HD22 ASN C 33 33.542 -6.492 -2.003 1.00 0.00 H new ATOM 514 N ASP C 34 31.549 -9.549 0.339 1.00 0.00 N ATOM 515 CA ASP C 34 31.229 -10.042 1.673 1.00 0.00 C ATOM 516 C ASP C 34 29.776 -10.492 1.759 1.00 0.00 C ATOM 517 O ASP C 34 29.222 -10.643 2.850 1.00 0.00 O ATOM 518 CB ASP C 34 31.520 -8.968 2.729 1.00 0.00 C ATOM 519 CG ASP C 34 30.590 -7.773 2.645 1.00 0.00 C ATOM 520 OD1 ASP C 34 30.339 -7.282 1.524 1.00 0.00 O ATOM 521 OD2 ASP C 34 30.119 -7.307 3.704 1.00 0.00 O ATOM 0 H ASP C 34 31.277 -8.581 0.167 1.00 0.00 H new ATOM 0 HA ASP C 34 31.863 -10.907 1.871 1.00 0.00 H new ATOM 0 HB2 ASP C 34 31.439 -9.413 3.721 1.00 0.00 H new ATOM 0 HB3 ASP C 34 32.549 -8.627 2.616 1.00 0.00 H new ATOM 526 N GLY C 35 29.164 -10.707 0.602 1.00 0.00 N ATOM 527 CA GLY C 35 27.798 -11.191 0.563 1.00 0.00 C ATOM 528 C GLY C 35 26.781 -10.085 0.744 1.00 0.00 C ATOM 529 O GLY C 35 25.586 -10.347 0.883 1.00 0.00 O ATOM 0 H GLY C 35 29.590 -10.554 -0.312 1.00 0.00 H new ATOM 0 HA2 GLY C 35 27.621 -11.690 -0.390 1.00 0.00 H new ATOM 0 HA3 GLY C 35 27.659 -11.938 1.344 1.00 0.00 H new ATOM 533 N SER C 36 27.252 -8.847 0.742 1.00 0.00 N ATOM 534 CA SER C 36 26.372 -7.706 0.889 1.00 0.00 C ATOM 535 C SER C 36 25.567 -7.490 -0.385 1.00 0.00 C ATOM 536 O SER C 36 26.091 -7.617 -1.493 1.00 0.00 O ATOM 537 CB SER C 36 27.181 -6.451 1.233 1.00 0.00 C ATOM 538 OG SER C 36 28.274 -6.285 0.343 1.00 0.00 O ATOM 0 H SER C 36 28.239 -8.611 0.640 1.00 0.00 H new ATOM 0 HA SER C 36 25.678 -7.904 1.706 1.00 0.00 H new ATOM 0 HB2 SER C 36 26.535 -5.575 1.187 1.00 0.00 H new ATOM 0 HB3 SER C 36 27.549 -6.522 2.256 1.00 0.00 H new ATOM 0 HG SER C 36 29.115 -6.344 0.843 1.00 0.00 H new ATOM 544 N ALA C 37 24.297 -7.178 -0.219 1.00 0.00 N ATOM 545 CA ALA C 37 23.417 -6.939 -1.341 1.00 0.00 C ATOM 546 C ALA C 37 23.245 -5.447 -1.560 1.00 0.00 C ATOM 547 O ALA C 37 22.703 -4.737 -0.712 1.00 0.00 O ATOM 548 CB ALA C 37 22.072 -7.609 -1.111 1.00 0.00 C ATOM 0 H ALA C 37 23.850 -7.084 0.693 1.00 0.00 H new ATOM 0 HA ALA C 37 23.863 -7.370 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA C 37 21.421 -7.420 -1.964 1.00 0.00 H new ATOM 0 HB2 ALA C 37 22.216 -8.683 -0.995 1.00 0.00 H new ATOM 0 HB3 ALA C 37 21.614 -7.205 -0.208 1.00 0.00 H new ATOM 554 N ASN C 38 23.743 -4.977 -2.687 1.00 0.00 N ATOM 555 CA ASN C 38 23.649 -3.572 -3.042 1.00 0.00 C ATOM 556 C ASN C 38 22.369 -3.325 -3.824 1.00 0.00 C ATOM 557 O ASN C 38 22.252 -3.742 -4.976 1.00 0.00 O ATOM 558 CB ASN C 38 24.851 -3.151 -3.890 1.00 0.00 C ATOM 559 CG ASN C 38 26.183 -3.473 -3.242 1.00 0.00 C ATOM 560 OD1 ASN C 38 26.763 -2.643 -2.563 1.00 0.00 O ATOM 561 ND2 ASN C 38 26.682 -4.679 -3.450 1.00 0.00 N ATOM 0 H ASN C 38 24.222 -5.553 -3.379 1.00 0.00 H new ATOM 0 HA ASN C 38 23.640 -2.983 -2.125 1.00 0.00 H new ATOM 0 HB2 ASN C 38 24.796 -3.648 -4.858 1.00 0.00 H new ATOM 0 HB3 ASN C 38 24.796 -2.079 -4.079 1.00 0.00 H new ATOM 0 HD21 ASN C 38 27.578 -4.938 -3.037 1.00 0.00 H new ATOM 0 HD22 ASN C 38 26.171 -5.350 -4.023 1.00 0.00 H new ATOM 568 N ALA C 39 21.409 -2.663 -3.197 1.00 0.00 N ATOM 569 CA ALA C 39 20.124 -2.414 -3.834 1.00 0.00 C ATOM 570 C ALA C 39 20.152 -1.125 -4.649 1.00 0.00 C ATOM 571 O ALA C 39 19.771 -0.055 -4.165 1.00 0.00 O ATOM 572 CB ALA C 39 19.020 -2.371 -2.788 1.00 0.00 C ATOM 0 H ALA C 39 21.494 -2.290 -2.252 1.00 0.00 H new ATOM 0 HA ALA C 39 19.919 -3.233 -4.523 1.00 0.00 H new ATOM 0 HB1 ALA C 39 18.063 -2.184 -3.276 1.00 0.00 H new ATOM 0 HB2 ALA C 39 18.979 -3.325 -2.263 1.00 0.00 H new ATOM 0 HB3 ALA C 39 19.225 -1.573 -2.075 1.00 0.00 H new ATOM 578 N GLU C 40 20.537 -1.253 -5.910 1.00 0.00 N ATOM 579 CA GLU C 40 20.739 -0.107 -6.785 1.00 0.00 C ATOM 580 C GLU C 40 19.410 0.473 -7.276 1.00 0.00 C ATOM 581 O GLU C 40 18.730 -0.136 -8.099 1.00 0.00 O ATOM 582 CB GLU C 40 21.595 -0.509 -7.989 1.00 0.00 C ATOM 583 CG GLU C 40 22.883 -1.224 -7.616 1.00 0.00 C ATOM 584 CD GLU C 40 23.763 -1.490 -8.818 1.00 0.00 C ATOM 585 OE1 GLU C 40 23.309 -2.171 -9.759 1.00 0.00 O ATOM 586 OE2 GLU C 40 24.917 -1.016 -8.830 1.00 0.00 O ATOM 0 H GLU C 40 20.718 -2.153 -6.355 1.00 0.00 H new ATOM 0 HA GLU C 40 21.252 0.661 -6.206 1.00 0.00 H new ATOM 0 HB2 GLU C 40 21.007 -1.156 -8.641 1.00 0.00 H new ATOM 0 HB3 GLU C 40 21.840 0.385 -8.563 1.00 0.00 H new ATOM 0 HG2 GLU C 40 23.433 -0.622 -6.892 1.00 0.00 H new ATOM 0 HG3 GLU C 40 22.643 -2.169 -7.128 1.00 0.00 H new ATOM 593 N PHE C 41 19.031 1.631 -6.736 1.00 0.00 N ATOM 594 CA PHE C 41 17.885 2.389 -7.230 1.00 0.00 C ATOM 595 C PHE C 41 18.042 2.779 -8.691 1.00 0.00 C ATOM 596 O PHE C 41 19.119 3.180 -9.140 1.00 0.00 O ATOM 597 CB PHE C 41 17.698 3.674 -6.419 1.00 0.00 C ATOM 598 CG PHE C 41 16.595 3.620 -5.403 1.00 0.00 C ATOM 599 CD1 PHE C 41 15.274 3.741 -5.796 1.00 0.00 C ATOM 600 CD2 PHE C 41 16.878 3.476 -4.053 1.00 0.00 C ATOM 601 CE1 PHE C 41 14.255 3.714 -4.867 1.00 0.00 C ATOM 602 CE2 PHE C 41 15.860 3.447 -3.119 1.00 0.00 C ATOM 603 CZ PHE C 41 14.548 3.568 -3.527 1.00 0.00 C ATOM 0 H PHE C 41 19.508 2.067 -5.947 1.00 0.00 H new ATOM 0 HA PHE C 41 17.018 1.736 -7.125 1.00 0.00 H new ATOM 0 HB2 PHE C 41 18.633 3.904 -5.908 1.00 0.00 H new ATOM 0 HB3 PHE C 41 17.500 4.496 -7.107 1.00 0.00 H new ATOM 0 HD1 PHE C 41 15.038 3.858 -6.843 1.00 0.00 H new ATOM 0 HD2 PHE C 41 17.904 3.386 -3.728 1.00 0.00 H new ATOM 0 HE1 PHE C 41 13.228 3.807 -5.189 1.00 0.00 H new ATOM 0 HE2 PHE C 41 16.091 3.330 -2.071 1.00 0.00 H new ATOM 0 HZ PHE C 41 13.751 3.548 -2.798 1.00 0.00 H new ATOM 613 N ASP C 42 16.943 2.654 -9.414 1.00 0.00 N ATOM 614 CA ASP C 42 16.848 3.131 -10.783 1.00 0.00 C ATOM 615 C ASP C 42 16.377 4.570 -10.762 1.00 0.00 C ATOM 616 O ASP C 42 16.781 5.383 -11.593 1.00 0.00 O ATOM 617 CB ASP C 42 15.877 2.266 -11.588 1.00 0.00 C ATOM 618 CG ASP C 42 15.743 2.725 -13.024 1.00 0.00 C ATOM 619 OD1 ASP C 42 16.516 2.246 -13.877 1.00 0.00 O ATOM 620 OD2 ASP C 42 14.865 3.563 -13.311 1.00 0.00 O ATOM 0 H ASP C 42 16.089 2.218 -9.067 1.00 0.00 H new ATOM 0 HA ASP C 42 17.826 3.068 -11.260 1.00 0.00 H new ATOM 0 HB2 ASP C 42 16.219 1.231 -11.571 1.00 0.00 H new ATOM 0 HB3 ASP C 42 14.897 2.286 -11.111 1.00 0.00 H new ATOM 625 N GLY C 43 15.536 4.871 -9.781 1.00 0.00 N ATOM 626 CA GLY C 43 15.091 6.233 -9.568 1.00 0.00 C ATOM 627 C GLY C 43 16.195 7.103 -8.996 1.00 0.00 C ATOM 628 O GLY C 43 17.302 6.615 -8.745 1.00 0.00 O ATOM 0 H GLY C 43 15.152 4.190 -9.125 1.00 0.00 H new ATOM 0 HA2 GLY C 43 14.748 6.655 -10.512 1.00 0.00 H new ATOM 0 HA3 GLY C 43 14.238 6.235 -8.889 1.00 0.00 H new ATOM 632 N PRO C 44 15.922 8.394 -8.759 1.00 0.00 N ATOM 633 CA PRO C 44 16.927 9.348 -8.276 1.00 0.00 C ATOM 634 C PRO C 44 17.268 9.163 -6.795 1.00 0.00 C ATOM 635 O PRO C 44 17.147 10.091 -5.993 1.00 0.00 O ATOM 636 CB PRO C 44 16.257 10.702 -8.506 1.00 0.00 C ATOM 637 CG PRO C 44 14.799 10.419 -8.401 1.00 0.00 C ATOM 638 CD PRO C 44 14.605 9.032 -8.953 1.00 0.00 C ATOM 0 HA PRO C 44 17.879 9.226 -8.792 1.00 0.00 H new ATOM 0 HB2 PRO C 44 16.574 11.433 -7.762 1.00 0.00 H new ATOM 0 HB3 PRO C 44 16.513 11.110 -9.484 1.00 0.00 H new ATOM 0 HG2 PRO C 44 14.464 10.477 -7.365 1.00 0.00 H new ATOM 0 HG3 PRO C 44 14.218 11.148 -8.966 1.00 0.00 H new ATOM 0 HD2 PRO C 44 13.818 8.496 -8.423 1.00 0.00 H new ATOM 0 HD3 PRO C 44 14.322 9.055 -10.005 1.00 0.00 H new ATOM 646 N TYR C 45 17.699 7.964 -6.439 1.00 0.00 N ATOM 647 CA TYR C 45 18.089 7.660 -5.070 1.00 0.00 C ATOM 648 C TYR C 45 19.442 6.954 -5.056 1.00 0.00 C ATOM 649 O TYR C 45 20.052 6.748 -6.109 1.00 0.00 O ATOM 650 CB TYR C 45 17.042 6.777 -4.383 1.00 0.00 C ATOM 651 CG TYR C 45 15.682 7.417 -4.201 1.00 0.00 C ATOM 652 CD1 TYR C 45 14.741 7.406 -5.225 1.00 0.00 C ATOM 653 CD2 TYR C 45 15.332 8.011 -2.996 1.00 0.00 C ATOM 654 CE1 TYR C 45 13.493 7.971 -5.051 1.00 0.00 C ATOM 655 CE2 TYR C 45 14.087 8.580 -2.816 1.00 0.00 C ATOM 656 CZ TYR C 45 13.172 8.558 -3.845 1.00 0.00 C ATOM 657 OH TYR C 45 11.928 9.116 -3.667 1.00 0.00 O ATOM 0 H TYR C 45 17.788 7.179 -7.084 1.00 0.00 H new ATOM 0 HA TYR C 45 18.162 8.600 -4.523 1.00 0.00 H new ATOM 0 HB2 TYR C 45 16.921 5.863 -4.965 1.00 0.00 H new ATOM 0 HB3 TYR C 45 17.422 6.484 -3.404 1.00 0.00 H new ATOM 0 HD1 TYR C 45 14.990 6.948 -6.171 1.00 0.00 H new ATOM 0 HD2 TYR C 45 16.046 8.028 -2.186 1.00 0.00 H new ATOM 0 HE1 TYR C 45 12.772 7.953 -5.855 1.00 0.00 H new ATOM 0 HE2 TYR C 45 13.832 9.040 -1.873 1.00 0.00 H new ATOM 0 HH TYR C 45 11.862 9.486 -2.762 1.00 0.00 H new ATOM 667 N ALA C 46 19.899 6.581 -3.873 1.00 0.00 N ATOM 668 CA ALA C 46 21.184 5.913 -3.713 1.00 0.00 C ATOM 669 C ALA C 46 21.051 4.403 -3.859 1.00 0.00 C ATOM 670 O ALA C 46 19.963 3.878 -4.114 1.00 0.00 O ATOM 671 CB ALA C 46 21.775 6.261 -2.355 1.00 0.00 C ATOM 0 H ALA C 46 19.395 6.731 -2.999 1.00 0.00 H new ATOM 0 HA ALA C 46 21.851 6.262 -4.501 1.00 0.00 H new ATOM 0 HB1 ALA C 46 22.736 5.760 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA C 46 21.917 7.340 -2.285 1.00 0.00 H new ATOM 0 HB3 ALA C 46 21.096 5.933 -1.568 1.00 0.00 H new ATOM 677 N ASP C 47 22.168 3.710 -3.708 1.00 0.00 N ATOM 678 CA ASP C 47 22.176 2.257 -3.662 1.00 0.00 C ATOM 679 C ASP C 47 22.548 1.805 -2.256 1.00 0.00 C ATOM 680 O ASP C 47 23.543 2.252 -1.689 1.00 0.00 O ATOM 681 CB ASP C 47 23.130 1.664 -4.711 1.00 0.00 C ATOM 682 CG ASP C 47 24.541 2.207 -4.625 1.00 0.00 C ATOM 683 OD1 ASP C 47 24.775 3.333 -5.112 1.00 0.00 O ATOM 684 OD2 ASP C 47 25.426 1.510 -4.094 1.00 0.00 O ATOM 0 H ASP C 47 23.090 4.136 -3.614 1.00 0.00 H new ATOM 0 HA ASP C 47 21.179 1.889 -3.904 1.00 0.00 H new ATOM 0 HB2 ASP C 47 23.159 0.581 -4.592 1.00 0.00 H new ATOM 0 HB3 ASP C 47 22.733 1.865 -5.706 1.00 0.00 H new ATOM 689 N GLN C 48 21.719 0.946 -1.685 1.00 0.00 N ATOM 690 CA GLN C 48 21.852 0.571 -0.289 1.00 0.00 C ATOM 691 C GLN C 48 22.619 -0.737 -0.157 1.00 0.00 C ATOM 692 O GLN C 48 22.242 -1.741 -0.758 1.00 0.00 O ATOM 693 CB GLN C 48 20.474 0.411 0.370 1.00 0.00 C ATOM 694 CG GLN C 48 19.622 1.680 0.447 1.00 0.00 C ATOM 695 CD GLN C 48 19.087 2.142 -0.901 1.00 0.00 C ATOM 696 OE1 GLN C 48 18.073 1.629 -1.383 1.00 0.00 O ATOM 697 NE2 GLN C 48 19.715 3.149 -1.492 1.00 0.00 N ATOM 0 H GLN C 48 20.944 0.494 -2.170 1.00 0.00 H new ATOM 0 HA GLN C 48 22.400 1.368 0.215 1.00 0.00 H new ATOM 0 HB2 GLN C 48 19.915 -0.347 -0.179 1.00 0.00 H new ATOM 0 HB3 GLN C 48 20.618 0.030 1.381 1.00 0.00 H new ATOM 0 HG2 GLN C 48 18.783 1.503 1.119 1.00 0.00 H new ATOM 0 HG3 GLN C 48 20.218 2.481 0.885 1.00 0.00 H new ATOM 0 HE21 GLN C 48 20.551 3.549 -1.066 1.00 0.00 H new ATOM 0 HE22 GLN C 48 19.362 3.523 -2.373 1.00 0.00 H new ATOM 706 N TYR C 49 23.689 -0.716 0.619 1.00 0.00 N ATOM 707 CA TYR C 49 24.446 -1.925 0.915 1.00 0.00 C ATOM 708 C TYR C 49 23.832 -2.616 2.128 1.00 0.00 C ATOM 709 O TYR C 49 23.904 -2.090 3.239 1.00 0.00 O ATOM 710 CB TYR C 49 25.905 -1.592 1.270 1.00 0.00 C ATOM 711 CG TYR C 49 26.773 -1.064 0.147 1.00 0.00 C ATOM 712 CD1 TYR C 49 26.347 -0.040 -0.689 1.00 0.00 C ATOM 713 CD2 TYR C 49 28.046 -1.586 -0.054 1.00 0.00 C ATOM 714 CE1 TYR C 49 27.163 0.447 -1.692 1.00 0.00 C ATOM 715 CE2 TYR C 49 28.866 -1.105 -1.056 1.00 0.00 C ATOM 716 CZ TYR C 49 28.421 -0.090 -1.873 1.00 0.00 C ATOM 717 OH TYR C 49 29.240 0.392 -2.871 1.00 0.00 O ATOM 0 H TYR C 49 24.056 0.128 1.058 1.00 0.00 H new ATOM 0 HA TYR C 49 24.418 -2.562 0.031 1.00 0.00 H new ATOM 0 HB2 TYR C 49 25.900 -0.854 2.073 1.00 0.00 H new ATOM 0 HB3 TYR C 49 26.373 -2.493 1.668 1.00 0.00 H new ATOM 0 HD1 TYR C 49 25.362 0.382 -0.553 1.00 0.00 H new ATOM 0 HD2 TYR C 49 28.400 -2.382 0.585 1.00 0.00 H new ATOM 0 HE1 TYR C 49 26.817 1.245 -2.332 1.00 0.00 H new ATOM 0 HE2 TYR C 49 29.852 -1.523 -1.198 1.00 0.00 H new ATOM 0 HH TYR C 49 30.090 -0.095 -2.860 1.00 0.00 H new ATOM 727 N MET C 50 23.238 -3.778 1.935 1.00 0.00 N ATOM 728 CA MET C 50 22.730 -4.544 3.065 1.00 0.00 C ATOM 729 C MET C 50 23.577 -5.794 3.262 1.00 0.00 C ATOM 730 O MET C 50 23.842 -6.531 2.316 1.00 0.00 O ATOM 731 CB MET C 50 21.249 -4.905 2.879 1.00 0.00 C ATOM 732 CG MET C 50 20.960 -5.766 1.662 1.00 0.00 C ATOM 733 SD MET C 50 19.233 -6.283 1.556 1.00 0.00 S ATOM 734 CE MET C 50 18.407 -4.701 1.411 1.00 0.00 C ATOM 0 H MET C 50 23.095 -4.210 1.022 1.00 0.00 H new ATOM 0 HA MET C 50 22.799 -3.926 3.960 1.00 0.00 H new ATOM 0 HB2 MET C 50 20.901 -5.428 3.770 1.00 0.00 H new ATOM 0 HB3 MET C 50 20.670 -3.984 2.803 1.00 0.00 H new ATOM 0 HG2 MET C 50 21.223 -5.212 0.761 1.00 0.00 H new ATOM 0 HG3 MET C 50 21.597 -6.650 1.690 1.00 0.00 H new ATOM 0 HE1 MET C 50 17.388 -4.854 1.056 1.00 0.00 H new ATOM 0 HE2 MET C 50 18.383 -4.213 2.385 1.00 0.00 H new ATOM 0 HE3 MET C 50 18.947 -4.072 0.703 1.00 0.00 H new ATOM 744 N SER C 51 24.022 -6.004 4.491 1.00 0.00 N ATOM 745 CA SER C 51 24.897 -7.122 4.820 1.00 0.00 C ATOM 746 C SER C 51 24.229 -8.465 4.564 1.00 0.00 C ATOM 747 O SER C 51 23.007 -8.557 4.527 1.00 0.00 O ATOM 748 CB SER C 51 25.305 -7.035 6.282 1.00 0.00 C ATOM 749 OG SER C 51 24.293 -6.407 7.051 1.00 0.00 O ATOM 0 H SER C 51 23.789 -5.409 5.286 1.00 0.00 H new ATOM 0 HA SER C 51 25.773 -7.056 4.175 1.00 0.00 H new ATOM 0 HB2 SER C 51 25.496 -8.035 6.671 1.00 0.00 H new ATOM 0 HB3 SER C 51 26.236 -6.475 6.372 1.00 0.00 H new ATOM 0 HG SER C 51 24.575 -6.363 7.989 1.00 0.00 H new ATOM 755 N ALA C 52 25.039 -9.508 4.421 1.00 0.00 N ATOM 756 CA ALA C 52 24.530 -10.856 4.201 1.00 0.00 C ATOM 757 C ALA C 52 23.699 -11.321 5.388 1.00 0.00 C ATOM 758 O ALA C 52 22.719 -12.040 5.229 1.00 0.00 O ATOM 759 CB ALA C 52 25.673 -11.823 3.937 1.00 0.00 C ATOM 0 H ALA C 52 26.056 -9.445 4.454 1.00 0.00 H new ATOM 0 HA ALA C 52 23.886 -10.836 3.322 1.00 0.00 H new ATOM 0 HB1 ALA C 52 25.273 -12.824 3.775 1.00 0.00 H new ATOM 0 HB2 ALA C 52 26.222 -11.504 3.051 1.00 0.00 H new ATOM 0 HB3 ALA C 52 26.345 -11.835 4.795 1.00 0.00 H new ATOM 765 N GLN C 53 24.099 -10.896 6.579 1.00 0.00 N ATOM 766 CA GLN C 53 23.326 -11.149 7.787 1.00 0.00 C ATOM 767 C GLN C 53 21.932 -10.555 7.622 1.00 0.00 C ATOM 768 O GLN C 53 20.922 -11.160 7.995 1.00 0.00 O ATOM 769 CB GLN C 53 23.998 -10.524 9.019 1.00 0.00 C ATOM 770 CG GLN C 53 25.487 -10.819 9.159 1.00 0.00 C ATOM 771 CD GLN C 53 26.350 -9.934 8.276 1.00 0.00 C ATOM 772 OE1 GLN C 53 26.676 -10.285 7.142 1.00 0.00 O ATOM 773 NE2 GLN C 53 26.704 -8.767 8.779 1.00 0.00 N ATOM 0 H GLN C 53 24.960 -10.371 6.734 1.00 0.00 H new ATOM 0 HA GLN C 53 23.266 -12.227 7.938 1.00 0.00 H new ATOM 0 HB2 GLN C 53 23.859 -9.444 8.981 1.00 0.00 H new ATOM 0 HB3 GLN C 53 23.487 -10.880 9.913 1.00 0.00 H new ATOM 0 HG2 GLN C 53 25.783 -10.684 10.199 1.00 0.00 H new ATOM 0 HG3 GLN C 53 25.671 -11.864 8.908 1.00 0.00 H new ATOM 0 HE21 GLN C 53 26.415 -8.510 9.723 1.00 0.00 H new ATOM 0 HE22 GLN C 53 27.266 -8.122 8.224 1.00 0.00 H new ATOM 782 N THR C 54 21.894 -9.374 7.020 1.00 0.00 N ATOM 783 CA THR C 54 20.647 -8.673 6.785 1.00 0.00 C ATOM 784 C THR C 54 19.874 -9.363 5.669 1.00 0.00 C ATOM 785 O THR C 54 18.660 -9.541 5.749 1.00 0.00 O ATOM 786 CB THR C 54 20.901 -7.197 6.417 1.00 0.00 C ATOM 787 OG1 THR C 54 21.675 -6.570 7.447 1.00 0.00 O ATOM 788 CG2 THR C 54 19.591 -6.439 6.235 1.00 0.00 C ATOM 0 H THR C 54 22.722 -8.881 6.685 1.00 0.00 H new ATOM 0 HA THR C 54 20.060 -8.696 7.703 1.00 0.00 H new ATOM 0 HB THR C 54 21.446 -7.172 5.473 1.00 0.00 H new ATOM 0 HG1 THR C 54 22.619 -6.556 7.184 1.00 0.00 H new ATOM 0 HG21 THR C 54 19.804 -5.402 5.976 1.00 0.00 H new ATOM 0 HG22 THR C 54 19.011 -6.901 5.436 1.00 0.00 H new ATOM 0 HG23 THR C 54 19.020 -6.472 7.163 1.00 0.00 H new ATOM 796 N VAL C 55 20.605 -9.791 4.648 1.00 0.00 N ATOM 797 CA VAL C 55 20.014 -10.472 3.500 1.00 0.00 C ATOM 798 C VAL C 55 19.470 -11.834 3.916 1.00 0.00 C ATOM 799 O VAL C 55 18.588 -12.391 3.277 1.00 0.00 O ATOM 800 CB VAL C 55 21.058 -10.650 2.357 1.00 0.00 C ATOM 801 CG1 VAL C 55 20.529 -11.479 1.180 1.00 0.00 C ATOM 802 CG2 VAL C 55 21.535 -9.295 1.869 1.00 0.00 C ATOM 0 H VAL C 55 21.617 -9.678 4.590 1.00 0.00 H new ATOM 0 HA VAL C 55 19.196 -9.855 3.129 1.00 0.00 H new ATOM 0 HB VAL C 55 21.894 -11.207 2.781 1.00 0.00 H new ATOM 0 HG11 VAL C 55 21.304 -11.566 0.418 1.00 0.00 H new ATOM 0 HG12 VAL C 55 20.252 -12.473 1.531 1.00 0.00 H new ATOM 0 HG13 VAL C 55 19.654 -10.988 0.753 1.00 0.00 H new ATOM 0 HG21 VAL C 55 22.264 -9.432 1.070 1.00 0.00 H new ATOM 0 HG22 VAL C 55 20.686 -8.725 1.492 1.00 0.00 H new ATOM 0 HG23 VAL C 55 21.998 -8.753 2.694 1.00 0.00 H new ATOM 812 N ALA C 56 19.990 -12.357 5.006 1.00 0.00 N ATOM 813 CA ALA C 56 19.552 -13.641 5.511 1.00 0.00 C ATOM 814 C ALA C 56 18.140 -13.552 6.054 1.00 0.00 C ATOM 815 O ALA C 56 17.362 -14.495 5.934 1.00 0.00 O ATOM 816 CB ALA C 56 20.503 -14.148 6.576 1.00 0.00 C ATOM 0 H ALA C 56 20.720 -11.911 5.562 1.00 0.00 H new ATOM 0 HA ALA C 56 19.554 -14.351 4.684 1.00 0.00 H new ATOM 0 HB1 ALA C 56 20.157 -15.114 6.943 1.00 0.00 H new ATOM 0 HB2 ALA C 56 21.501 -14.258 6.151 1.00 0.00 H new ATOM 0 HB3 ALA C 56 20.537 -13.437 7.402 1.00 0.00 H new ATOM 822 N VAL C 57 17.805 -12.414 6.644 1.00 0.00 N ATOM 823 CA VAL C 57 16.459 -12.235 7.179 1.00 0.00 C ATOM 824 C VAL C 57 15.564 -11.553 6.153 1.00 0.00 C ATOM 825 O VAL C 57 14.363 -11.806 6.096 1.00 0.00 O ATOM 826 CB VAL C 57 16.433 -11.393 8.474 1.00 0.00 C ATOM 827 CG1 VAL C 57 15.242 -11.778 9.339 1.00 0.00 C ATOM 828 CG2 VAL C 57 17.734 -11.524 9.251 1.00 0.00 C ATOM 0 H VAL C 57 18.429 -11.616 6.764 1.00 0.00 H new ATOM 0 HA VAL C 57 16.094 -13.235 7.411 1.00 0.00 H new ATOM 0 HB VAL C 57 16.327 -10.346 8.189 1.00 0.00 H new ATOM 0 HG11 VAL C 57 15.241 -11.174 10.246 1.00 0.00 H new ATOM 0 HG12 VAL C 57 14.319 -11.603 8.786 1.00 0.00 H new ATOM 0 HG13 VAL C 57 15.311 -12.833 9.605 1.00 0.00 H new ATOM 0 HG21 VAL C 57 17.680 -10.918 10.156 1.00 0.00 H new ATOM 0 HG22 VAL C 57 17.892 -12.568 9.522 1.00 0.00 H new ATOM 0 HG23 VAL C 57 18.563 -11.180 8.633 1.00 0.00 H new ATOM 838 N PHE C 58 16.159 -10.700 5.332 1.00 0.00 N ATOM 839 CA PHE C 58 15.386 -9.851 4.434 1.00 0.00 C ATOM 840 C PHE C 58 15.599 -10.205 2.970 1.00 0.00 C ATOM 841 O PHE C 58 15.344 -9.374 2.101 1.00 0.00 O ATOM 842 CB PHE C 58 15.743 -8.380 4.651 1.00 0.00 C ATOM 843 CG PHE C 58 15.191 -7.795 5.919 1.00 0.00 C ATOM 844 CD1 PHE C 58 15.914 -7.850 7.099 1.00 0.00 C ATOM 845 CD2 PHE C 58 13.948 -7.184 5.927 1.00 0.00 C ATOM 846 CE1 PHE C 58 15.408 -7.307 8.262 1.00 0.00 C ATOM 847 CE2 PHE C 58 13.435 -6.639 7.088 1.00 0.00 C ATOM 848 CZ PHE C 58 14.166 -6.700 8.257 1.00 0.00 C ATOM 0 H PHE C 58 17.170 -10.577 5.268 1.00 0.00 H new ATOM 0 HA PHE C 58 14.336 -10.022 4.672 1.00 0.00 H new ATOM 0 HB2 PHE C 58 16.828 -8.278 4.659 1.00 0.00 H new ATOM 0 HB3 PHE C 58 15.375 -7.799 3.805 1.00 0.00 H new ATOM 0 HD1 PHE C 58 16.885 -8.323 7.109 1.00 0.00 H new ATOM 0 HD2 PHE C 58 13.373 -7.133 5.014 1.00 0.00 H new ATOM 0 HE1 PHE C 58 15.982 -7.356 9.176 1.00 0.00 H new ATOM 0 HE2 PHE C 58 12.464 -6.166 7.081 1.00 0.00 H new ATOM 0 HZ PHE C 58 13.768 -6.274 9.166 1.00 0.00 H new ATOM 858 N LYS C 59 16.083 -11.417 2.708 1.00 0.00 N ATOM 859 CA LYS C 59 16.273 -11.908 1.341 1.00 0.00 C ATOM 860 C LYS C 59 15.024 -11.680 0.483 1.00 0.00 C ATOM 861 O LYS C 59 14.005 -12.351 0.668 1.00 0.00 O ATOM 862 CB LYS C 59 16.602 -13.403 1.372 1.00 0.00 C ATOM 863 CG LYS C 59 16.962 -13.986 0.017 1.00 0.00 C ATOM 864 CD LYS C 59 17.047 -15.502 0.067 1.00 0.00 C ATOM 865 CE LYS C 59 17.370 -16.085 -1.299 1.00 0.00 C ATOM 866 NZ LYS C 59 16.381 -15.666 -2.328 1.00 0.00 N ATOM 0 H LYS C 59 16.354 -12.084 3.431 1.00 0.00 H new ATOM 0 HA LYS C 59 17.098 -11.351 0.896 1.00 0.00 H new ATOM 0 HB2 LYS C 59 17.432 -13.567 2.059 1.00 0.00 H new ATOM 0 HB3 LYS C 59 15.745 -13.945 1.773 1.00 0.00 H new ATOM 0 HG2 LYS C 59 16.216 -13.687 -0.719 1.00 0.00 H new ATOM 0 HG3 LYS C 59 17.917 -13.578 -0.314 1.00 0.00 H new ATOM 0 HD2 LYS C 59 17.813 -15.802 0.782 1.00 0.00 H new ATOM 0 HD3 LYS C 59 16.101 -15.909 0.424 1.00 0.00 H new ATOM 0 HE2 LYS C 59 18.367 -15.767 -1.603 1.00 0.00 H new ATOM 0 HE3 LYS C 59 17.388 -17.173 -1.234 1.00 0.00 H new ATOM 0 HZ1 LYS C 59 16.466 -16.281 -3.162 1.00 0.00 H new ATOM 0 HZ2 LYS C 59 15.420 -15.743 -1.938 1.00 0.00 H new ATOM 0 HZ3 LYS C 59 16.564 -14.680 -2.604 1.00 0.00 H new ATOM 880 N PRO C 60 15.079 -10.720 -0.455 1.00 0.00 N ATOM 881 CA PRO C 60 13.979 -10.383 -1.323 1.00 0.00 C ATOM 882 C PRO C 60 14.203 -10.889 -2.746 1.00 0.00 C ATOM 883 O PRO C 60 14.944 -11.846 -2.976 1.00 0.00 O ATOM 884 CB PRO C 60 14.047 -8.856 -1.283 1.00 0.00 C ATOM 885 CG PRO C 60 15.508 -8.535 -1.109 1.00 0.00 C ATOM 886 CD PRO C 60 16.203 -9.830 -0.748 1.00 0.00 C ATOM 0 HA PRO C 60 13.026 -10.816 -1.020 1.00 0.00 H new ATOM 0 HB2 PRO C 60 13.654 -8.419 -2.201 1.00 0.00 H new ATOM 0 HB3 PRO C 60 13.454 -8.456 -0.460 1.00 0.00 H new ATOM 0 HG2 PRO C 60 15.923 -8.117 -2.026 1.00 0.00 H new ATOM 0 HG3 PRO C 60 15.649 -7.790 -0.326 1.00 0.00 H new ATOM 0 HD2 PRO C 60 16.815 -10.205 -1.569 1.00 0.00 H new ATOM 0 HD3 PRO C 60 16.862 -9.711 0.112 1.00 0.00 H new ATOM 894 N GLU C 61 13.572 -10.216 -3.690 1.00 0.00 N ATOM 895 CA GLU C 61 13.694 -10.545 -5.104 1.00 0.00 C ATOM 896 C GLU C 61 13.733 -9.256 -5.901 1.00 0.00 C ATOM 897 O GLU C 61 13.170 -8.248 -5.480 1.00 0.00 O ATOM 898 CB GLU C 61 12.511 -11.378 -5.595 1.00 0.00 C ATOM 899 CG GLU C 61 12.143 -12.552 -4.705 1.00 0.00 C ATOM 900 CD GLU C 61 10.984 -13.342 -5.268 1.00 0.00 C ATOM 901 OE1 GLU C 61 9.825 -12.953 -5.024 1.00 0.00 O ATOM 902 OE2 GLU C 61 11.225 -14.336 -5.982 1.00 0.00 O ATOM 0 H GLU C 61 12.958 -9.424 -3.501 1.00 0.00 H new ATOM 0 HA GLU C 61 14.606 -11.127 -5.239 1.00 0.00 H new ATOM 0 HB2 GLU C 61 11.642 -10.727 -5.691 1.00 0.00 H new ATOM 0 HB3 GLU C 61 12.739 -11.754 -6.592 1.00 0.00 H new ATOM 0 HG2 GLU C 61 13.007 -13.206 -4.591 1.00 0.00 H new ATOM 0 HG3 GLU C 61 11.885 -12.187 -3.711 1.00 0.00 H new ATOM 909 N VAL C 62 14.350 -9.298 -7.064 1.00 0.00 N ATOM 910 CA VAL C 62 14.508 -8.118 -7.878 1.00 0.00 C ATOM 911 C VAL C 62 13.331 -7.986 -8.822 1.00 0.00 C ATOM 912 O VAL C 62 12.991 -8.903 -9.572 1.00 0.00 O ATOM 913 CB VAL C 62 15.835 -8.108 -8.671 1.00 0.00 C ATOM 914 CG1 VAL C 62 17.019 -8.072 -7.719 1.00 0.00 C ATOM 915 CG2 VAL C 62 15.934 -9.308 -9.595 1.00 0.00 C ATOM 0 H VAL C 62 14.752 -10.145 -7.466 1.00 0.00 H new ATOM 0 HA VAL C 62 14.541 -7.263 -7.203 1.00 0.00 H new ATOM 0 HB VAL C 62 15.851 -7.209 -9.288 1.00 0.00 H new ATOM 0 HG11 VAL C 62 17.946 -8.065 -8.292 1.00 0.00 H new ATOM 0 HG12 VAL C 62 16.965 -7.173 -7.105 1.00 0.00 H new ATOM 0 HG13 VAL C 62 16.996 -8.952 -7.076 1.00 0.00 H new ATOM 0 HG21 VAL C 62 16.878 -9.272 -10.138 1.00 0.00 H new ATOM 0 HG22 VAL C 62 15.889 -10.225 -9.007 1.00 0.00 H new ATOM 0 HG23 VAL C 62 15.106 -9.290 -10.304 1.00 0.00 H new ATOM 925 N GLY C 63 12.705 -6.846 -8.748 1.00 0.00 N ATOM 926 CA GLY C 63 11.517 -6.588 -9.533 1.00 0.00 C ATOM 927 C GLY C 63 10.269 -6.488 -8.678 1.00 0.00 C ATOM 928 O GLY C 63 9.209 -6.092 -9.166 1.00 0.00 O ATOM 0 H GLY C 63 12.995 -6.072 -8.150 1.00 0.00 H new ATOM 0 HA2 GLY C 63 11.648 -5.660 -10.090 1.00 0.00 H new ATOM 0 HA3 GLY C 63 11.389 -7.385 -10.266 1.00 0.00 H new ATOM 932 N GLY C 64 10.385 -6.852 -7.404 1.00 0.00 N ATOM 933 CA GLY C 64 9.259 -6.756 -6.504 1.00 0.00 C ATOM 934 C GLY C 64 9.120 -5.369 -5.914 1.00 0.00 C ATOM 935 O GLY C 64 9.635 -4.392 -6.466 1.00 0.00 O ATOM 0 H GLY C 64 11.241 -7.212 -6.983 1.00 0.00 H new ATOM 0 HA2 GLY C 64 8.345 -7.016 -7.038 1.00 0.00 H new ATOM 0 HA3 GLY C 64 9.375 -7.482 -5.699 1.00 0.00 H new ATOM 939 N TYR C 65 8.441 -5.283 -4.787 1.00 0.00 N ATOM 940 CA TYR C 65 8.194 -4.004 -4.140 1.00 0.00 C ATOM 941 C TYR C 65 8.717 -4.002 -2.711 1.00 0.00 C ATOM 942 O TYR C 65 8.882 -5.058 -2.095 1.00 0.00 O ATOM 943 CB TYR C 65 6.699 -3.674 -4.147 1.00 0.00 C ATOM 944 CG TYR C 65 6.151 -3.375 -5.524 1.00 0.00 C ATOM 945 CD1 TYR C 65 5.397 -4.315 -6.215 1.00 0.00 C ATOM 946 CD2 TYR C 65 6.389 -2.150 -6.133 1.00 0.00 C ATOM 947 CE1 TYR C 65 4.896 -4.041 -7.474 1.00 0.00 C ATOM 948 CE2 TYR C 65 5.893 -1.868 -7.391 1.00 0.00 C ATOM 949 CZ TYR C 65 5.147 -2.816 -8.056 1.00 0.00 C ATOM 950 OH TYR C 65 4.650 -2.536 -9.309 1.00 0.00 O ATOM 0 H TYR C 65 8.048 -6.086 -4.296 1.00 0.00 H new ATOM 0 HA TYR C 65 8.728 -3.240 -4.705 1.00 0.00 H new ATOM 0 HB2 TYR C 65 6.149 -4.512 -3.720 1.00 0.00 H new ATOM 0 HB3 TYR C 65 6.522 -2.815 -3.500 1.00 0.00 H new ATOM 0 HD1 TYR C 65 5.199 -5.275 -5.762 1.00 0.00 H new ATOM 0 HD2 TYR C 65 6.972 -1.404 -5.614 1.00 0.00 H new ATOM 0 HE1 TYR C 65 4.311 -4.782 -7.999 1.00 0.00 H new ATOM 0 HE2 TYR C 65 6.089 -0.910 -7.850 1.00 0.00 H new ATOM 0 HH TYR C 65 4.917 -1.630 -9.572 1.00 0.00 H new ATOM 960 N LEU C 66 8.980 -2.807 -2.204 1.00 0.00 N ATOM 961 CA LEU C 66 9.460 -2.621 -0.847 1.00 0.00 C ATOM 962 C LEU C 66 8.916 -1.307 -0.301 1.00 0.00 C ATOM 963 O LEU C 66 8.588 -0.398 -1.071 1.00 0.00 O ATOM 964 CB LEU C 66 10.994 -2.629 -0.828 1.00 0.00 C ATOM 965 CG LEU C 66 11.656 -2.377 0.531 1.00 0.00 C ATOM 966 CD1 LEU C 66 11.549 -3.603 1.419 1.00 0.00 C ATOM 967 CD2 LEU C 66 13.111 -1.977 0.345 1.00 0.00 C ATOM 0 H LEU C 66 8.866 -1.938 -2.725 1.00 0.00 H new ATOM 0 HA LEU C 66 9.111 -3.438 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU C 66 11.336 -3.594 -1.202 1.00 0.00 H new ATOM 0 HB3 LEU C 66 11.349 -1.872 -1.527 1.00 0.00 H new ATOM 0 HG LEU C 66 11.131 -1.557 1.021 1.00 0.00 H new ATOM 0 HD11 LEU C 66 12.026 -3.400 2.378 1.00 0.00 H new ATOM 0 HD12 LEU C 66 10.498 -3.845 1.580 1.00 0.00 H new ATOM 0 HD13 LEU C 66 12.046 -4.445 0.938 1.00 0.00 H new ATOM 0 HD21 LEU C 66 13.567 -1.801 1.319 1.00 0.00 H new ATOM 0 HD22 LEU C 66 13.646 -2.777 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU C 66 13.165 -1.065 -0.250 1.00 0.00 H new ATOM 979 N PHE C 67 8.788 -1.209 1.012 1.00 0.00 N ATOM 980 CA PHE C 67 8.280 0.005 1.633 1.00 0.00 C ATOM 981 C PHE C 67 8.857 0.156 3.031 1.00 0.00 C ATOM 982 O PHE C 67 9.365 -0.807 3.597 1.00 0.00 O ATOM 983 CB PHE C 67 6.749 -0.019 1.690 1.00 0.00 C ATOM 984 CG PHE C 67 6.183 -0.942 2.736 1.00 0.00 C ATOM 985 CD1 PHE C 67 5.903 -0.478 4.011 1.00 0.00 C ATOM 986 CD2 PHE C 67 5.934 -2.267 2.442 1.00 0.00 C ATOM 987 CE1 PHE C 67 5.384 -1.320 4.973 1.00 0.00 C ATOM 988 CE2 PHE C 67 5.415 -3.117 3.400 1.00 0.00 C ATOM 989 CZ PHE C 67 5.140 -2.644 4.668 1.00 0.00 C ATOM 0 H PHE C 67 9.028 -1.953 1.668 1.00 0.00 H new ATOM 0 HA PHE C 67 8.588 0.859 1.030 1.00 0.00 H new ATOM 0 HB2 PHE C 67 6.388 0.992 1.880 1.00 0.00 H new ATOM 0 HB3 PHE C 67 6.365 -0.316 0.714 1.00 0.00 H new ATOM 0 HD1 PHE C 67 6.094 0.557 4.255 1.00 0.00 H new ATOM 0 HD2 PHE C 67 6.147 -2.644 1.453 1.00 0.00 H new ATOM 0 HE1 PHE C 67 5.169 -0.944 5.962 1.00 0.00 H new ATOM 0 HE2 PHE C 67 5.224 -4.152 3.157 1.00 0.00 H new ATOM 0 HZ PHE C 67 4.736 -3.307 5.418 1.00 0.00 H new ATOM 999 N ARG C 68 8.760 1.355 3.585 1.00 0.00 N ATOM 1000 CA ARG C 68 9.267 1.628 4.921 1.00 0.00 C ATOM 1001 C ARG C 68 8.335 2.599 5.624 1.00 0.00 C ATOM 1002 O ARG C 68 7.939 3.608 5.042 1.00 0.00 O ATOM 1003 CB ARG C 68 10.683 2.208 4.843 1.00 0.00 C ATOM 1004 CG ARG C 68 11.277 2.574 6.196 1.00 0.00 C ATOM 1005 CD ARG C 68 12.692 3.113 6.055 1.00 0.00 C ATOM 1006 NE ARG C 68 12.757 4.279 5.171 1.00 0.00 N ATOM 1007 CZ ARG C 68 13.794 4.555 4.378 1.00 0.00 C ATOM 1008 NH1 ARG C 68 14.862 3.766 4.376 1.00 0.00 N ATOM 1009 NH2 ARG C 68 13.767 5.627 3.597 1.00 0.00 N ATOM 0 H ARG C 68 8.332 2.159 3.126 1.00 0.00 H new ATOM 0 HA ARG C 68 9.310 0.698 5.488 1.00 0.00 H new ATOM 0 HB2 ARG C 68 11.335 1.483 4.355 1.00 0.00 H new ATOM 0 HB3 ARG C 68 10.666 3.097 4.212 1.00 0.00 H new ATOM 0 HG2 ARG C 68 10.648 3.321 6.681 1.00 0.00 H new ATOM 0 HG3 ARG C 68 11.284 1.696 6.841 1.00 0.00 H new ATOM 0 HD2 ARG C 68 13.075 3.384 7.039 1.00 0.00 H new ATOM 0 HD3 ARG C 68 13.340 2.328 5.666 1.00 0.00 H new ATOM 0 HE ARG C 68 11.962 4.918 5.161 1.00 0.00 H new ATOM 0 HH11 ARG C 68 14.891 2.946 4.982 1.00 0.00 H new ATOM 0 HH12 ARG C 68 15.653 3.980 3.769 1.00 0.00 H new ATOM 0 HH21 ARG C 68 12.953 6.241 3.602 1.00 0.00 H new ATOM 0 HH22 ARG C 68 14.560 5.837 2.991 1.00 0.00 H new ATOM 1023 N SER C 69 7.976 2.301 6.863 1.00 0.00 N ATOM 1024 CA SER C 69 7.031 3.135 7.580 1.00 0.00 C ATOM 1025 C SER C 69 7.735 4.035 8.587 1.00 0.00 C ATOM 1026 O SER C 69 8.959 3.973 8.734 1.00 0.00 O ATOM 1027 CB SER C 69 5.972 2.279 8.271 1.00 0.00 C ATOM 1028 OG SER C 69 6.574 1.274 9.065 1.00 0.00 O ATOM 0 H SER C 69 8.321 1.497 7.386 1.00 0.00 H new ATOM 0 HA SER C 69 6.536 3.776 6.851 1.00 0.00 H new ATOM 0 HB2 SER C 69 5.339 2.910 8.895 1.00 0.00 H new ATOM 0 HB3 SER C 69 5.326 1.819 7.523 1.00 0.00 H new ATOM 0 HG SER C 69 5.877 0.739 9.499 1.00 0.00 H new ATOM 1034 N GLN C 70 6.961 4.864 9.271 1.00 0.00 N ATOM 1035 CA GLN C 70 7.498 5.816 10.245 1.00 0.00 C ATOM 1036 C GLN C 70 8.343 5.123 11.313 1.00 0.00 C ATOM 1037 O GLN C 70 9.344 5.669 11.776 1.00 0.00 O ATOM 1038 CB GLN C 70 6.349 6.574 10.909 1.00 0.00 C ATOM 1039 CG GLN C 70 5.478 7.328 9.921 1.00 0.00 C ATOM 1040 CD GLN C 70 4.299 8.005 10.585 1.00 0.00 C ATOM 1041 OE1 GLN C 70 3.218 7.429 10.702 1.00 0.00 O ATOM 1042 NE2 GLN C 70 4.499 9.233 11.019 1.00 0.00 N ATOM 0 H GLN C 70 5.947 4.900 9.171 1.00 0.00 H new ATOM 0 HA GLN C 70 8.145 6.511 9.710 1.00 0.00 H new ATOM 0 HB2 GLN C 70 5.730 5.869 11.464 1.00 0.00 H new ATOM 0 HB3 GLN C 70 6.758 7.278 11.634 1.00 0.00 H new ATOM 0 HG2 GLN C 70 6.081 8.077 9.408 1.00 0.00 H new ATOM 0 HG3 GLN C 70 5.115 6.636 9.161 1.00 0.00 H new ATOM 0 HE21 GLN C 70 5.412 9.673 10.902 1.00 0.00 H new ATOM 0 HE22 GLN C 70 3.741 9.743 11.472 1.00 0.00 H new ATOM 1051 N TYR C 71 7.961 3.902 11.669 1.00 0.00 N ATOM 1052 CA TYR C 71 8.631 3.166 12.737 1.00 0.00 C ATOM 1053 C TYR C 71 10.012 2.682 12.296 1.00 0.00 C ATOM 1054 O TYR C 71 10.764 2.118 13.088 1.00 0.00 O ATOM 1055 CB TYR C 71 7.778 1.974 13.171 1.00 0.00 C ATOM 1056 CG TYR C 71 6.342 2.332 13.474 1.00 0.00 C ATOM 1057 CD1 TYR C 71 5.353 2.182 12.509 1.00 0.00 C ATOM 1058 CD2 TYR C 71 5.974 2.823 14.720 1.00 0.00 C ATOM 1059 CE1 TYR C 71 4.040 2.511 12.776 1.00 0.00 C ATOM 1060 CE2 TYR C 71 4.661 3.152 14.995 1.00 0.00 C ATOM 1061 CZ TYR C 71 3.698 2.995 14.020 1.00 0.00 C ATOM 1062 OH TYR C 71 2.391 3.324 14.289 1.00 0.00 O ATOM 0 H TYR C 71 7.189 3.399 11.233 1.00 0.00 H new ATOM 0 HA TYR C 71 8.761 3.844 13.580 1.00 0.00 H new ATOM 0 HB2 TYR C 71 7.797 1.220 12.384 1.00 0.00 H new ATOM 0 HB3 TYR C 71 8.225 1.522 14.057 1.00 0.00 H new ATOM 0 HD1 TYR C 71 5.617 1.801 11.533 1.00 0.00 H new ATOM 0 HD2 TYR C 71 6.726 2.949 15.485 1.00 0.00 H new ATOM 0 HE1 TYR C 71 3.284 2.390 12.014 1.00 0.00 H new ATOM 0 HE2 TYR C 71 4.389 3.531 15.969 1.00 0.00 H new ATOM 0 HH TYR C 71 2.318 3.649 15.211 1.00 0.00 H new ATOM 1072 N GLY C 72 10.330 2.888 11.023 1.00 0.00 N ATOM 1073 CA GLY C 72 11.631 2.503 10.511 1.00 0.00 C ATOM 1074 C GLY C 72 11.661 1.068 10.036 1.00 0.00 C ATOM 1075 O GLY C 72 12.697 0.570 9.599 1.00 0.00 O ATOM 0 H GLY C 72 9.709 3.315 10.336 1.00 0.00 H new ATOM 0 HA2 GLY C 72 11.904 3.162 9.686 1.00 0.00 H new ATOM 0 HA3 GLY C 72 12.381 2.641 11.290 1.00 0.00 H new ATOM 1079 N GLU C 73 10.519 0.403 10.116 1.00 0.00 N ATOM 1080 CA GLU C 73 10.421 -0.984 9.705 1.00 0.00 C ATOM 1081 C GLU C 73 10.024 -1.078 8.240 1.00 0.00 C ATOM 1082 O GLU C 73 9.209 -0.293 7.745 1.00 0.00 O ATOM 1083 CB GLU C 73 9.430 -1.744 10.593 1.00 0.00 C ATOM 1084 CG GLU C 73 8.076 -1.069 10.724 1.00 0.00 C ATOM 1085 CD GLU C 73 7.157 -1.782 11.693 1.00 0.00 C ATOM 1086 OE1 GLU C 73 7.551 -1.980 12.862 1.00 0.00 O ATOM 1087 OE2 GLU C 73 6.027 -2.132 11.298 1.00 0.00 O ATOM 0 H GLU C 73 9.648 0.804 10.463 1.00 0.00 H new ATOM 0 HA GLU C 73 11.400 -1.449 9.822 1.00 0.00 H new ATOM 0 HB2 GLU C 73 9.288 -2.745 10.187 1.00 0.00 H new ATOM 0 HB3 GLU C 73 9.864 -1.862 11.586 1.00 0.00 H new ATOM 0 HG2 GLU C 73 8.218 -0.040 11.055 1.00 0.00 H new ATOM 0 HG3 GLU C 73 7.600 -1.025 9.744 1.00 0.00 H new ATOM 1094 N LEU C 74 10.636 -2.022 7.553 1.00 0.00 N ATOM 1095 CA LEU C 74 10.393 -2.241 6.139 1.00 0.00 C ATOM 1096 C LEU C 74 10.134 -3.717 5.881 1.00 0.00 C ATOM 1097 O LEU C 74 10.571 -4.570 6.657 1.00 0.00 O ATOM 1098 CB LEU C 74 11.579 -1.749 5.291 1.00 0.00 C ATOM 1099 CG LEU C 74 12.965 -2.230 5.728 1.00 0.00 C ATOM 1100 CD1 LEU C 74 13.939 -2.160 4.561 1.00 0.00 C ATOM 1101 CD2 LEU C 74 13.481 -1.381 6.885 1.00 0.00 C ATOM 0 H LEU C 74 11.318 -2.662 7.960 1.00 0.00 H new ATOM 0 HA LEU C 74 9.513 -1.668 5.848 1.00 0.00 H new ATOM 0 HB2 LEU C 74 11.417 -2.062 4.260 1.00 0.00 H new ATOM 0 HB3 LEU C 74 11.576 -0.659 5.297 1.00 0.00 H new ATOM 0 HG LEU C 74 12.883 -3.265 6.060 1.00 0.00 H new ATOM 0 HD11 LEU C 74 14.921 -2.505 4.885 1.00 0.00 H new ATOM 0 HD12 LEU C 74 13.581 -2.794 3.750 1.00 0.00 H new ATOM 0 HD13 LEU C 74 14.014 -1.131 4.211 1.00 0.00 H new ATOM 0 HD21 LEU C 74 14.467 -1.735 7.185 1.00 0.00 H new ATOM 0 HD22 LEU C 74 13.550 -0.340 6.570 1.00 0.00 H new ATOM 0 HD23 LEU C 74 12.795 -1.460 7.729 1.00 0.00 H new ATOM 1113 N LEU C 75 9.423 -4.013 4.801 1.00 0.00 N ATOM 1114 CA LEU C 75 9.049 -5.386 4.471 1.00 0.00 C ATOM 1115 C LEU C 75 8.964 -5.585 2.964 1.00 0.00 C ATOM 1116 O LEU C 75 8.761 -4.629 2.210 1.00 0.00 O ATOM 1117 CB LEU C 75 7.694 -5.746 5.091 1.00 0.00 C ATOM 1118 CG LEU C 75 7.675 -5.943 6.608 1.00 0.00 C ATOM 1119 CD1 LEU C 75 6.254 -6.196 7.084 1.00 0.00 C ATOM 1120 CD2 LEU C 75 8.579 -7.098 7.010 1.00 0.00 C ATOM 0 H LEU C 75 9.091 -3.317 4.133 1.00 0.00 H new ATOM 0 HA LEU C 75 9.823 -6.036 4.878 1.00 0.00 H new ATOM 0 HB2 LEU C 75 6.982 -4.960 4.839 1.00 0.00 H new ATOM 0 HB3 LEU C 75 7.336 -6.662 4.622 1.00 0.00 H new ATOM 0 HG LEU C 75 8.049 -5.034 7.080 1.00 0.00 H new ATOM 0 HD11 LEU C 75 6.252 -6.335 8.165 1.00 0.00 H new ATOM 0 HD12 LEU C 75 5.627 -5.343 6.826 1.00 0.00 H new ATOM 0 HD13 LEU C 75 5.863 -7.092 6.602 1.00 0.00 H new ATOM 0 HD21 LEU C 75 8.552 -7.222 8.093 1.00 0.00 H new ATOM 0 HD22 LEU C 75 8.233 -8.014 6.531 1.00 0.00 H new ATOM 0 HD23 LEU C 75 9.601 -6.887 6.695 1.00 0.00 H new ATOM 1132 N TYR C 76 9.100 -6.839 2.545 1.00 0.00 N ATOM 1133 CA TYR C 76 8.919 -7.219 1.152 1.00 0.00 C ATOM 1134 C TYR C 76 7.471 -7.622 0.933 1.00 0.00 C ATOM 1135 O TYR C 76 6.880 -8.315 1.767 1.00 0.00 O ATOM 1136 CB TYR C 76 9.844 -8.393 0.783 1.00 0.00 C ATOM 1137 CG TYR C 76 9.599 -8.979 -0.601 1.00 0.00 C ATOM 1138 CD1 TYR C 76 8.517 -9.820 -0.848 1.00 0.00 C ATOM 1139 CD2 TYR C 76 10.447 -8.688 -1.660 1.00 0.00 C ATOM 1140 CE1 TYR C 76 8.285 -10.344 -2.102 1.00 0.00 C ATOM 1141 CE2 TYR C 76 10.223 -9.214 -2.921 1.00 0.00 C ATOM 1142 CZ TYR C 76 9.139 -10.037 -3.136 1.00 0.00 C ATOM 1143 OH TYR C 76 8.907 -10.558 -4.386 1.00 0.00 O ATOM 0 H TYR C 76 9.338 -7.617 3.161 1.00 0.00 H new ATOM 0 HA TYR C 76 9.172 -6.370 0.517 1.00 0.00 H new ATOM 0 HB2 TYR C 76 10.879 -8.056 0.843 1.00 0.00 H new ATOM 0 HB3 TYR C 76 9.722 -9.182 1.525 1.00 0.00 H new ATOM 0 HD1 TYR C 76 7.845 -10.067 -0.040 1.00 0.00 H new ATOM 0 HD2 TYR C 76 11.296 -8.040 -1.498 1.00 0.00 H new ATOM 0 HE1 TYR C 76 7.438 -10.992 -2.272 1.00 0.00 H new ATOM 0 HE2 TYR C 76 10.895 -8.980 -3.733 1.00 0.00 H new ATOM 0 HH TYR C 76 9.468 -11.351 -4.519 1.00 0.00 H new ATOM 1153 N MET C 77 6.901 -7.193 -0.180 1.00 0.00 N ATOM 1154 CA MET C 77 5.512 -7.495 -0.487 1.00 0.00 C ATOM 1155 C MET C 77 5.206 -7.288 -1.965 1.00 0.00 C ATOM 1156 O MET C 77 6.083 -6.928 -2.755 1.00 0.00 O ATOM 1157 CB MET C 77 4.575 -6.629 0.364 1.00 0.00 C ATOM 1158 CG MET C 77 5.154 -5.277 0.768 1.00 0.00 C ATOM 1159 SD MET C 77 5.706 -4.279 -0.630 1.00 0.00 S ATOM 1160 CE MET C 77 4.164 -4.030 -1.495 1.00 0.00 C ATOM 0 H MET C 77 7.378 -6.634 -0.887 1.00 0.00 H new ATOM 0 HA MET C 77 5.346 -8.546 -0.251 1.00 0.00 H new ATOM 0 HB2 MET C 77 3.651 -6.463 -0.190 1.00 0.00 H new ATOM 0 HB3 MET C 77 4.311 -7.181 1.266 1.00 0.00 H new ATOM 0 HG2 MET C 77 4.400 -4.721 1.325 1.00 0.00 H new ATOM 0 HG3 MET C 77 5.995 -5.438 1.443 1.00 0.00 H new ATOM 0 HE1 MET C 77 4.327 -3.370 -2.347 1.00 0.00 H new ATOM 0 HE2 MET C 77 3.785 -4.990 -1.847 1.00 0.00 H new ATOM 0 HE3 MET C 77 3.437 -3.579 -0.820 1.00 0.00 H new ATOM 1170 N SER C 78 3.954 -7.540 -2.324 1.00 0.00 N ATOM 1171 CA SER C 78 3.466 -7.332 -3.676 1.00 0.00 C ATOM 1172 C SER C 78 2.276 -6.364 -3.663 1.00 0.00 C ATOM 1173 O SER C 78 1.935 -5.833 -2.602 1.00 0.00 O ATOM 1174 CB SER C 78 3.081 -8.678 -4.290 1.00 0.00 C ATOM 1175 OG SER C 78 2.361 -9.472 -3.358 1.00 0.00 O ATOM 0 H SER C 78 3.247 -7.896 -1.681 1.00 0.00 H new ATOM 0 HA SER C 78 4.251 -6.886 -4.287 1.00 0.00 H new ATOM 0 HB2 SER C 78 2.474 -8.516 -5.181 1.00 0.00 H new ATOM 0 HB3 SER C 78 3.979 -9.208 -4.608 1.00 0.00 H new ATOM 0 HG SER C 78 1.511 -9.034 -3.143 1.00 0.00 H new ATOM 1181 N LYS C 79 1.636 -6.139 -4.810 1.00 0.00 N ATOM 1182 CA LYS C 79 0.573 -5.132 -4.907 1.00 0.00 C ATOM 1183 C LYS C 79 -0.566 -5.376 -3.917 1.00 0.00 C ATOM 1184 O LYS C 79 -1.227 -4.429 -3.484 1.00 0.00 O ATOM 1185 CB LYS C 79 0.006 -5.045 -6.321 1.00 0.00 C ATOM 1186 CG LYS C 79 -0.510 -6.366 -6.873 1.00 0.00 C ATOM 1187 CD LYS C 79 -1.181 -6.183 -8.228 1.00 0.00 C ATOM 1188 CE LYS C 79 -0.228 -5.601 -9.260 1.00 0.00 C ATOM 1189 NZ LYS C 79 -0.890 -5.391 -10.574 1.00 0.00 N ATOM 0 H LYS C 79 1.831 -6.634 -5.680 1.00 0.00 H new ATOM 0 HA LYS C 79 1.045 -4.183 -4.651 1.00 0.00 H new ATOM 0 HB2 LYS C 79 -0.807 -4.319 -6.329 1.00 0.00 H new ATOM 0 HB3 LYS C 79 0.780 -4.664 -6.987 1.00 0.00 H new ATOM 0 HG2 LYS C 79 0.317 -7.069 -6.968 1.00 0.00 H new ATOM 0 HG3 LYS C 79 -1.220 -6.802 -6.170 1.00 0.00 H new ATOM 0 HD2 LYS C 79 -1.555 -7.144 -8.581 1.00 0.00 H new ATOM 0 HD3 LYS C 79 -2.044 -5.526 -8.120 1.00 0.00 H new ATOM 0 HE2 LYS C 79 0.164 -4.651 -8.896 1.00 0.00 H new ATOM 0 HE3 LYS C 79 0.623 -6.270 -9.386 1.00 0.00 H new ATOM 0 HZ1 LYS C 79 -0.205 -4.993 -11.248 1.00 0.00 H new ATOM 0 HZ2 LYS C 79 -1.242 -6.301 -10.935 1.00 0.00 H new ATOM 0 HZ3 LYS C 79 -1.686 -4.732 -10.460 1.00 0.00 H new ATOM 1203 N THR C 80 -0.788 -6.634 -3.554 1.00 0.00 N ATOM 1204 CA THR C 80 -1.813 -6.981 -2.586 1.00 0.00 C ATOM 1205 C THR C 80 -1.616 -6.190 -1.297 1.00 0.00 C ATOM 1206 O THR C 80 -2.510 -5.470 -0.842 1.00 0.00 O ATOM 1207 CB THR C 80 -1.771 -8.487 -2.280 1.00 0.00 C ATOM 1208 OG1 THR C 80 -0.409 -8.902 -2.112 1.00 0.00 O ATOM 1209 CG2 THR C 80 -2.417 -9.294 -3.394 1.00 0.00 C ATOM 0 H THR C 80 -0.267 -7.431 -3.919 1.00 0.00 H new ATOM 0 HA THR C 80 -2.785 -6.731 -3.011 1.00 0.00 H new ATOM 0 HB THR C 80 -2.331 -8.666 -1.362 1.00 0.00 H new ATOM 0 HG1 THR C 80 -0.381 -9.862 -1.915 1.00 0.00 H new ATOM 0 HG21 THR C 80 -2.372 -10.355 -3.148 1.00 0.00 H new ATOM 0 HG22 THR C 80 -3.458 -8.992 -3.506 1.00 0.00 H new ATOM 0 HG23 THR C 80 -1.885 -9.115 -4.328 1.00 0.00 H new ATOM 1217 N ALA C 81 -0.421 -6.300 -0.738 1.00 0.00 N ATOM 1218 CA ALA C 81 -0.072 -5.573 0.466 1.00 0.00 C ATOM 1219 C ALA C 81 0.157 -4.104 0.164 1.00 0.00 C ATOM 1220 O ALA C 81 -0.130 -3.253 0.994 1.00 0.00 O ATOM 1221 CB ALA C 81 1.164 -6.165 1.102 1.00 0.00 C ATOM 0 H ALA C 81 0.326 -6.891 -1.104 1.00 0.00 H new ATOM 0 HA ALA C 81 -0.906 -5.659 1.163 1.00 0.00 H new ATOM 0 HB1 ALA C 81 1.412 -5.607 2.005 1.00 0.00 H new ATOM 0 HB2 ALA C 81 0.977 -7.207 1.360 1.00 0.00 H new ATOM 0 HB3 ALA C 81 1.997 -6.109 0.401 1.00 0.00 H new ATOM 1227 N PHE C 82 0.679 -3.817 -1.026 1.00 0.00 N ATOM 1228 CA PHE C 82 0.912 -2.441 -1.464 1.00 0.00 C ATOM 1229 C PHE C 82 -0.353 -1.619 -1.253 1.00 0.00 C ATOM 1230 O PHE C 82 -0.327 -0.553 -0.645 1.00 0.00 O ATOM 1231 CB PHE C 82 1.305 -2.424 -2.949 1.00 0.00 C ATOM 1232 CG PHE C 82 1.960 -1.152 -3.425 1.00 0.00 C ATOM 1233 CD1 PHE C 82 1.286 0.059 -3.390 1.00 0.00 C ATOM 1234 CD2 PHE C 82 3.253 -1.176 -3.924 1.00 0.00 C ATOM 1235 CE1 PHE C 82 1.888 1.219 -3.838 1.00 0.00 C ATOM 1236 CE2 PHE C 82 3.861 -0.019 -4.373 1.00 0.00 C ATOM 1237 CZ PHE C 82 3.178 1.180 -4.329 1.00 0.00 C ATOM 0 H PHE C 82 0.951 -4.524 -1.709 1.00 0.00 H new ATOM 0 HA PHE C 82 1.724 -2.009 -0.879 1.00 0.00 H new ATOM 0 HB2 PHE C 82 1.983 -3.256 -3.138 1.00 0.00 H new ATOM 0 HB3 PHE C 82 0.411 -2.599 -3.547 1.00 0.00 H new ATOM 0 HD1 PHE C 82 0.277 0.096 -3.007 1.00 0.00 H new ATOM 0 HD2 PHE C 82 3.792 -2.111 -3.962 1.00 0.00 H new ATOM 0 HE1 PHE C 82 1.350 2.155 -3.804 1.00 0.00 H new ATOM 0 HE2 PHE C 82 4.870 -0.053 -4.758 1.00 0.00 H new ATOM 0 HZ PHE C 82 3.652 2.086 -4.678 1.00 0.00 H new ATOM 1247 N GLU C 83 -1.458 -2.164 -1.730 1.00 0.00 N ATOM 1248 CA GLU C 83 -2.758 -1.511 -1.645 1.00 0.00 C ATOM 1249 C GLU C 83 -3.188 -1.259 -0.188 1.00 0.00 C ATOM 1250 O GLU C 83 -3.614 -0.153 0.172 1.00 0.00 O ATOM 1251 CB GLU C 83 -3.786 -2.384 -2.377 1.00 0.00 C ATOM 1252 CG GLU C 83 -5.160 -1.757 -2.528 1.00 0.00 C ATOM 1253 CD GLU C 83 -5.170 -0.641 -3.546 1.00 0.00 C ATOM 1254 OE1 GLU C 83 -4.989 -0.926 -4.749 1.00 0.00 O ATOM 1255 OE2 GLU C 83 -5.368 0.527 -3.158 1.00 0.00 O ATOM 0 H GLU C 83 -1.482 -3.075 -2.189 1.00 0.00 H new ATOM 0 HA GLU C 83 -2.692 -0.531 -2.117 1.00 0.00 H new ATOM 0 HB2 GLU C 83 -3.400 -2.622 -3.368 1.00 0.00 H new ATOM 0 HB3 GLU C 83 -3.889 -3.327 -1.840 1.00 0.00 H new ATOM 0 HG2 GLU C 83 -5.876 -2.523 -2.825 1.00 0.00 H new ATOM 0 HG3 GLU C 83 -5.489 -1.370 -1.564 1.00 0.00 H new ATOM 1262 N ALA C 84 -3.017 -2.263 0.653 1.00 0.00 N ATOM 1263 CA ALA C 84 -3.571 -2.229 2.002 1.00 0.00 C ATOM 1264 C ALA C 84 -2.612 -1.564 2.968 1.00 0.00 C ATOM 1265 O ALA C 84 -3.026 -1.009 3.986 1.00 0.00 O ATOM 1266 CB ALA C 84 -3.900 -3.638 2.465 1.00 0.00 C ATOM 0 H ALA C 84 -2.500 -3.113 0.430 1.00 0.00 H new ATOM 0 HA ALA C 84 -4.488 -1.640 1.982 1.00 0.00 H new ATOM 0 HB1 ALA C 84 -4.313 -3.603 3.473 1.00 0.00 H new ATOM 0 HB2 ALA C 84 -4.631 -4.082 1.789 1.00 0.00 H new ATOM 0 HB3 ALA C 84 -2.993 -4.242 2.466 1.00 0.00 H new ATOM 1272 N ASN C 85 -1.330 -1.615 2.648 1.00 0.00 N ATOM 1273 CA ASN C 85 -0.320 -1.044 3.514 1.00 0.00 C ATOM 1274 C ASN C 85 -0.036 0.393 3.128 1.00 0.00 C ATOM 1275 O ASN C 85 0.384 1.181 3.970 1.00 0.00 O ATOM 1276 CB ASN C 85 0.975 -1.868 3.477 1.00 0.00 C ATOM 1277 CG ASN C 85 0.875 -3.187 4.228 1.00 0.00 C ATOM 1278 OD1 ASN C 85 -0.317 -3.764 4.282 1.00 0.00 O flip ATOM 1279 ND2 ASN C 85 1.867 -3.689 4.756 1.00 0.00 N flip ATOM 0 H ASN C 85 -0.968 -2.045 1.797 1.00 0.00 H new ATOM 0 HA ASN C 85 -0.707 -1.064 4.533 1.00 0.00 H new ATOM 0 HB2 ASN C 85 1.239 -2.069 2.439 1.00 0.00 H new ATOM 0 HB3 ASN C 85 1.785 -1.277 3.903 1.00 0.00 H new ATOM 0 HD21 ASN C 85 2.770 -3.219 4.696 1.00 0.00 H new ATOM 0 HD22 ASN C 85 1.786 -4.576 5.254 1.00 0.00 H new ATOM 1286 N TYR C 86 -0.241 0.745 1.853 1.00 0.00 N ATOM 1287 CA TYR C 86 0.016 2.119 1.433 1.00 0.00 C ATOM 1288 C TYR C 86 -0.532 2.452 0.043 1.00 0.00 C ATOM 1289 O TYR C 86 0.215 2.491 -0.929 1.00 0.00 O ATOM 1290 CB TYR C 86 1.522 2.446 1.521 1.00 0.00 C ATOM 1291 CG TYR C 86 2.435 1.493 0.775 1.00 0.00 C ATOM 1292 CD1 TYR C 86 2.374 0.129 1.004 1.00 0.00 C ATOM 1293 CD2 TYR C 86 3.360 1.959 -0.144 1.00 0.00 C ATOM 1294 CE1 TYR C 86 3.196 -0.745 0.348 1.00 0.00 C ATOM 1295 CE2 TYR C 86 4.195 1.088 -0.812 1.00 0.00 C ATOM 1296 CZ TYR C 86 4.110 -0.264 -0.566 1.00 0.00 C ATOM 1297 OH TYR C 86 4.946 -1.129 -1.229 1.00 0.00 O ATOM 0 H TYR C 86 -0.573 0.119 1.119 1.00 0.00 H new ATOM 0 HA TYR C 86 -0.531 2.753 2.131 1.00 0.00 H new ATOM 0 HB2 TYR C 86 1.682 3.453 1.136 1.00 0.00 H new ATOM 0 HB3 TYR C 86 1.814 2.456 2.571 1.00 0.00 H new ATOM 0 HD1 TYR C 86 1.660 -0.254 1.718 1.00 0.00 H new ATOM 0 HD2 TYR C 86 3.429 3.019 -0.340 1.00 0.00 H new ATOM 0 HE1 TYR C 86 3.130 -1.805 0.544 1.00 0.00 H new ATOM 0 HE2 TYR C 86 4.913 1.465 -1.525 1.00 0.00 H new ATOM 0 HH TYR C 86 4.633 -1.245 -2.150 1.00 0.00 H new ATOM 1307 N THR C 87 -1.842 2.693 -0.017 1.00 0.00 N ATOM 1308 CA THR C 87 -2.509 3.378 -1.145 1.00 0.00 C ATOM 1309 C THR C 87 -3.908 3.812 -0.722 1.00 0.00 C ATOM 1310 O THR C 87 -4.460 4.783 -1.247 1.00 0.00 O ATOM 1311 CB THR C 87 -2.647 2.533 -2.436 1.00 0.00 C ATOM 1312 OG1 THR C 87 -3.040 1.207 -2.120 1.00 0.00 O ATOM 1313 CG2 THR C 87 -1.370 2.511 -3.252 1.00 0.00 C ATOM 0 H THR C 87 -2.487 2.417 0.724 1.00 0.00 H new ATOM 0 HA THR C 87 -1.862 4.221 -1.386 1.00 0.00 H new ATOM 0 HB THR C 87 -3.417 3.008 -3.045 1.00 0.00 H new ATOM 0 HG1 THR C 87 -4.010 1.119 -2.227 1.00 0.00 H new ATOM 0 HG21 THR C 87 -1.520 1.906 -4.146 1.00 0.00 H new ATOM 0 HG22 THR C 87 -1.106 3.528 -3.543 1.00 0.00 H new ATOM 0 HG23 THR C 87 -0.564 2.084 -2.655 1.00 0.00 H new