USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 78 SER OG : rot 180:sc= 0.00103 USER MOD Set 1.2: C 80 THR OG1 : rot -93:sc= 0.053 USER MOD Set 2.1: C 51 SER OG : rot -175:sc= 1.1 USER MOD Set 2.2: C 54 THR OG1 : rot 131:sc= 1.28 USER MOD Single : C 13 TYR OH : rot 180:sc= 0 USER MOD Single : C 14 LYS NZ :NH3+ 156:sc= -1.37 (180deg=-2.73!) USER MOD Single : C 20 TYR OH : rot 120:sc= -0.427 USER MOD Single : C 22 SER OG : rot 180:sc= -0.066 USER MOD Single : C 27 LYS NZ :NH3+ -156:sc= 1.21 (180deg=0.959) USER MOD Single : C 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 31 TYR OH : rot 30:sc=-0.00556 USER MOD Single : C 33 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : C 36 SER OG : rot 180:sc= -0.0968 USER MOD Single : C 38 ASN : amide:sc= -0.278 K(o=-0.28,f=-0.9) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 GLN : amide:sc= -0.367 K(o=-0.37,f=-1.8) USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 50 MET CE :methyl -174:sc= -0.221 (180deg=-0.41) USER MOD Single : C 53 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : C 59 LYS NZ :NH3+ 173:sc= 0.197 (180deg=0.167) USER MOD Single : C 65 TYR OH : rot 180:sc= 0 USER MOD Single : C 69 SER OG : rot 156:sc= -1.38 USER MOD Single : C 70 GLN : amide:sc= -0.895 X(o=-0.89,f=-1.1) USER MOD Single : C 71 TYR OH : rot 180:sc= 0 USER MOD Single : C 76 TYR OH : rot 180:sc= 0 USER MOD Single : C 77 MET CE :methyl 164:sc= -2.51! (180deg=-3.48!) USER MOD Single : C 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 85 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : C 86 TYR OH : rot 150:sc= -0.0597 USER MOD Single : C 87 THR OG1 : rot -18:sc= -1.28! USER MOD ----------------------------------------------------------------- ATOM 167 N LEU C 12 3.707 7.766 -2.452 1.00 0.00 N ATOM 168 CA LEU C 12 3.537 7.624 -1.017 1.00 0.00 C ATOM 169 C LEU C 12 2.135 7.113 -0.730 1.00 0.00 C ATOM 170 O LEU C 12 1.170 7.557 -1.353 1.00 0.00 O ATOM 171 CB LEU C 12 3.788 8.953 -0.302 1.00 0.00 C ATOM 172 CG LEU C 12 5.042 9.721 -0.745 1.00 0.00 C ATOM 173 CD1 LEU C 12 5.289 10.902 0.171 1.00 0.00 C ATOM 174 CD2 LEU C 12 6.266 8.820 -0.770 1.00 0.00 C ATOM 0 HA LEU C 12 4.266 6.907 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU C 12 2.920 9.595 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU C 12 3.861 8.760 0.768 1.00 0.00 H new ATOM 0 HG LEU C 12 4.867 10.083 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU C 12 6.181 11.436 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU C 12 4.431 11.574 0.138 1.00 0.00 H new ATOM 0 HD13 LEU C 12 5.432 10.547 1.192 1.00 0.00 H new ATOM 0 HD21 LEU C 12 7.135 9.396 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU C 12 6.442 8.418 0.228 1.00 0.00 H new ATOM 0 HD23 LEU C 12 6.100 7.999 -1.468 1.00 0.00 H new ATOM 186 N TYR C 13 2.020 6.183 0.205 1.00 0.00 N ATOM 187 CA TYR C 13 0.777 5.449 0.395 1.00 0.00 C ATOM 188 C TYR C 13 0.368 5.379 1.863 1.00 0.00 C ATOM 189 O TYR C 13 0.961 6.056 2.709 1.00 0.00 O ATOM 190 CB TYR C 13 0.931 4.051 -0.185 1.00 0.00 C ATOM 191 CG TYR C 13 1.066 4.043 -1.691 1.00 0.00 C ATOM 192 CD1 TYR C 13 2.221 3.579 -2.301 1.00 0.00 C ATOM 193 CD2 TYR C 13 0.041 4.516 -2.501 1.00 0.00 C ATOM 194 CE1 TYR C 13 2.353 3.584 -3.676 1.00 0.00 C ATOM 195 CE2 TYR C 13 0.163 4.522 -3.875 1.00 0.00 C ATOM 196 CZ TYR C 13 1.320 4.056 -4.459 1.00 0.00 C ATOM 197 OH TYR C 13 1.447 4.065 -5.829 1.00 0.00 O ATOM 0 H TYR C 13 2.770 5.918 0.843 1.00 0.00 H new ATOM 0 HA TYR C 13 -0.018 5.982 -0.126 1.00 0.00 H new ATOM 0 HB2 TYR C 13 1.809 3.577 0.255 1.00 0.00 H new ATOM 0 HB3 TYR C 13 0.068 3.449 0.099 1.00 0.00 H new ATOM 0 HD1 TYR C 13 3.031 3.207 -1.691 1.00 0.00 H new ATOM 0 HD2 TYR C 13 -0.867 4.885 -2.047 1.00 0.00 H new ATOM 0 HE1 TYR C 13 3.260 3.220 -4.136 1.00 0.00 H new ATOM 0 HE2 TYR C 13 -0.645 4.890 -4.490 1.00 0.00 H new ATOM 0 HH TYR C 13 0.630 4.427 -6.231 1.00 0.00 H new ATOM 207 N LYS C 14 -0.639 4.553 2.169 1.00 0.00 N ATOM 208 CA LYS C 14 -1.242 4.558 3.489 1.00 0.00 C ATOM 209 C LYS C 14 -1.569 3.145 3.916 1.00 0.00 C ATOM 210 O LYS C 14 -2.096 2.355 3.131 1.00 0.00 O ATOM 211 CB LYS C 14 -2.516 5.406 3.494 1.00 0.00 C ATOM 212 CG LYS C 14 -2.268 6.897 3.307 1.00 0.00 C ATOM 213 CD LYS C 14 -3.564 7.696 3.260 1.00 0.00 C ATOM 214 CE LYS C 14 -4.193 7.705 1.870 1.00 0.00 C ATOM 215 NZ LYS C 14 -4.639 6.355 1.432 1.00 0.00 N ATOM 0 H LYS C 14 -1.045 3.880 1.519 1.00 0.00 H new ATOM 0 HA LYS C 14 -0.529 4.990 4.191 1.00 0.00 H new ATOM 0 HB2 LYS C 14 -3.177 5.056 2.701 1.00 0.00 H new ATOM 0 HB3 LYS C 14 -3.040 5.251 4.437 1.00 0.00 H new ATOM 0 HG2 LYS C 14 -1.646 7.265 4.123 1.00 0.00 H new ATOM 0 HG3 LYS C 14 -1.711 7.058 2.384 1.00 0.00 H new ATOM 0 HD2 LYS C 14 -4.273 7.276 3.974 1.00 0.00 H new ATOM 0 HD3 LYS C 14 -3.367 8.721 3.573 1.00 0.00 H new ATOM 0 HE2 LYS C 14 -5.046 8.384 1.866 1.00 0.00 H new ATOM 0 HE3 LYS C 14 -3.472 8.095 1.152 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 -5.389 6.452 0.718 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 -3.834 5.840 1.021 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 -5.006 5.828 2.250 1.00 0.00 H new ATOM 229 N ASP C 15 -1.239 2.839 5.157 1.00 0.00 N ATOM 230 CA ASP C 15 -1.471 1.516 5.710 1.00 0.00 C ATOM 231 C ASP C 15 -2.947 1.343 6.092 1.00 0.00 C ATOM 232 O ASP C 15 -3.783 2.192 5.772 1.00 0.00 O ATOM 233 CB ASP C 15 -0.517 1.256 6.903 1.00 0.00 C ATOM 234 CG ASP C 15 -1.182 1.212 8.274 1.00 0.00 C ATOM 235 OD1 ASP C 15 -1.946 2.137 8.621 1.00 0.00 O ATOM 236 OD2 ASP C 15 -0.946 0.223 9.006 1.00 0.00 O ATOM 0 H ASP C 15 -0.806 3.495 5.807 1.00 0.00 H new ATOM 0 HA ASP C 15 -1.249 0.766 4.951 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -0.004 0.309 6.736 1.00 0.00 H new ATOM 0 HB3 ASP C 15 0.246 2.035 6.913 1.00 0.00 H new ATOM 241 N ALA C 16 -3.248 0.263 6.796 1.00 0.00 N ATOM 242 CA ALA C 16 -4.623 -0.143 7.069 1.00 0.00 C ATOM 243 C ALA C 16 -5.416 0.940 7.807 1.00 0.00 C ATOM 244 O ALA C 16 -6.552 1.246 7.430 1.00 0.00 O ATOM 245 CB ALA C 16 -4.632 -1.445 7.884 1.00 0.00 C ATOM 0 H ALA C 16 -2.546 -0.360 7.196 1.00 0.00 H new ATOM 0 HA ALA C 16 -5.111 -0.303 6.107 1.00 0.00 H new ATOM 0 HB1 ALA C 16 -5.662 -1.742 8.084 1.00 0.00 H new ATOM 0 HB2 ALA C 16 -4.131 -2.231 7.319 1.00 0.00 H new ATOM 0 HB3 ALA C 16 -4.110 -1.287 8.828 1.00 0.00 H new ATOM 251 N ASP C 17 -4.827 1.536 8.840 1.00 0.00 N ATOM 252 CA ASP C 17 -5.566 2.483 9.670 1.00 0.00 C ATOM 253 C ASP C 17 -5.200 3.917 9.326 1.00 0.00 C ATOM 254 O ASP C 17 -5.849 4.858 9.784 1.00 0.00 O ATOM 255 CB ASP C 17 -5.352 2.221 11.169 1.00 0.00 C ATOM 256 CG ASP C 17 -3.955 2.551 11.660 1.00 0.00 C ATOM 257 OD1 ASP C 17 -3.656 3.743 11.879 1.00 0.00 O ATOM 258 OD2 ASP C 17 -3.163 1.611 11.878 1.00 0.00 O ATOM 0 H ASP C 17 -3.858 1.384 9.119 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.624 2.334 9.454 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -6.074 2.808 11.737 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -5.561 1.172 11.377 1.00 0.00 H new ATOM 263 N GLY C 18 -4.172 4.085 8.510 1.00 0.00 N ATOM 264 CA GLY C 18 -3.803 5.412 8.069 1.00 0.00 C ATOM 265 C GLY C 18 -2.353 5.750 8.342 1.00 0.00 C ATOM 266 O GLY C 18 -1.969 6.919 8.311 1.00 0.00 O ATOM 0 H GLY C 18 -3.589 3.331 8.147 1.00 0.00 H new ATOM 0 HA2 GLY C 18 -3.994 5.499 6.999 1.00 0.00 H new ATOM 0 HA3 GLY C 18 -4.440 6.143 8.567 1.00 0.00 H new ATOM 270 N VAL C 19 -1.546 4.738 8.611 1.00 0.00 N ATOM 271 CA VAL C 19 -0.113 4.935 8.785 1.00 0.00 C ATOM 272 C VAL C 19 0.508 5.335 7.453 1.00 0.00 C ATOM 273 O VAL C 19 0.465 4.578 6.484 1.00 0.00 O ATOM 274 CB VAL C 19 0.567 3.656 9.331 1.00 0.00 C ATOM 275 CG1 VAL C 19 2.085 3.750 9.232 1.00 0.00 C ATOM 276 CG2 VAL C 19 0.148 3.416 10.774 1.00 0.00 C ATOM 0 H VAL C 19 -1.856 3.772 8.714 1.00 0.00 H new ATOM 0 HA VAL C 19 0.042 5.730 9.514 1.00 0.00 H new ATOM 0 HB VAL C 19 0.243 2.814 8.719 1.00 0.00 H new ATOM 0 HG11 VAL C 19 2.532 2.836 9.623 1.00 0.00 H new ATOM 0 HG12 VAL C 19 2.374 3.878 8.189 1.00 0.00 H new ATOM 0 HG13 VAL C 19 2.435 4.603 9.813 1.00 0.00 H new ATOM 0 HG21 VAL C 19 0.632 2.514 11.148 1.00 0.00 H new ATOM 0 HG22 VAL C 19 0.445 4.268 11.386 1.00 0.00 H new ATOM 0 HG23 VAL C 19 -0.934 3.294 10.823 1.00 0.00 H new ATOM 286 N TYR C 20 1.053 6.541 7.398 1.00 0.00 N ATOM 287 CA TYR C 20 1.609 7.061 6.170 1.00 0.00 C ATOM 288 C TYR C 20 2.991 6.497 5.944 1.00 0.00 C ATOM 289 O TYR C 20 3.830 6.454 6.846 1.00 0.00 O ATOM 290 CB TYR C 20 1.655 8.580 6.199 1.00 0.00 C ATOM 291 CG TYR C 20 1.750 9.230 4.839 1.00 0.00 C ATOM 292 CD1 TYR C 20 0.598 9.584 4.149 1.00 0.00 C ATOM 293 CD2 TYR C 20 2.976 9.504 4.252 1.00 0.00 C ATOM 294 CE1 TYR C 20 0.666 10.191 2.913 1.00 0.00 C ATOM 295 CE2 TYR C 20 3.052 10.109 3.013 1.00 0.00 C ATOM 296 CZ TYR C 20 1.893 10.453 2.349 1.00 0.00 C ATOM 297 OH TYR C 20 1.961 11.062 1.118 1.00 0.00 O ATOM 0 H TYR C 20 1.119 7.175 8.194 1.00 0.00 H new ATOM 0 HA TYR C 20 0.966 6.756 5.345 1.00 0.00 H new ATOM 0 HB2 TYR C 20 0.761 8.948 6.702 1.00 0.00 H new ATOM 0 HB3 TYR C 20 2.510 8.894 6.798 1.00 0.00 H new ATOM 0 HD1 TYR C 20 -0.367 9.380 4.588 1.00 0.00 H new ATOM 0 HD2 TYR C 20 3.885 9.240 4.772 1.00 0.00 H new ATOM 0 HE1 TYR C 20 -0.240 10.460 2.390 1.00 0.00 H new ATOM 0 HE2 TYR C 20 4.014 10.312 2.566 1.00 0.00 H new ATOM 0 HH TYR C 20 2.448 11.909 1.198 1.00 0.00 H new ATOM 307 N VAL C 21 3.207 6.087 4.728 1.00 0.00 N ATOM 308 CA VAL C 21 4.410 5.355 4.359 1.00 0.00 C ATOM 309 C VAL C 21 4.820 5.640 2.917 1.00 0.00 C ATOM 310 O VAL C 21 3.983 5.704 2.018 1.00 0.00 O ATOM 311 CB VAL C 21 4.207 3.826 4.587 1.00 0.00 C ATOM 312 CG1 VAL C 21 2.837 3.382 4.099 1.00 0.00 C ATOM 313 CG2 VAL C 21 5.286 2.988 3.909 1.00 0.00 C ATOM 0 H VAL C 21 2.561 6.245 3.955 1.00 0.00 H new ATOM 0 HA VAL C 21 5.221 5.698 5.002 1.00 0.00 H new ATOM 0 HB VAL C 21 4.282 3.662 5.662 1.00 0.00 H new ATOM 0 HG11 VAL C 21 2.719 2.312 4.269 1.00 0.00 H new ATOM 0 HG12 VAL C 21 2.064 3.923 4.644 1.00 0.00 H new ATOM 0 HG13 VAL C 21 2.744 3.592 3.034 1.00 0.00 H new ATOM 0 HG21 VAL C 21 5.099 1.931 4.098 1.00 0.00 H new ATOM 0 HG22 VAL C 21 5.269 3.173 2.835 1.00 0.00 H new ATOM 0 HG23 VAL C 21 6.263 3.260 4.308 1.00 0.00 H new ATOM 323 N SER C 22 6.114 5.838 2.717 1.00 0.00 N ATOM 324 CA SER C 22 6.662 6.099 1.399 1.00 0.00 C ATOM 325 C SER C 22 6.964 4.788 0.684 1.00 0.00 C ATOM 326 O SER C 22 7.392 3.823 1.317 1.00 0.00 O ATOM 327 CB SER C 22 7.943 6.926 1.528 1.00 0.00 C ATOM 328 OG SER C 22 7.724 8.097 2.301 1.00 0.00 O ATOM 0 H SER C 22 6.810 5.822 3.462 1.00 0.00 H new ATOM 0 HA SER C 22 5.929 6.656 0.816 1.00 0.00 H new ATOM 0 HB2 SER C 22 8.723 6.322 1.991 1.00 0.00 H new ATOM 0 HB3 SER C 22 8.301 7.203 0.537 1.00 0.00 H new ATOM 0 HG SER C 22 8.559 8.605 2.369 1.00 0.00 H new ATOM 334 N ALA C 23 6.758 4.758 -0.626 1.00 0.00 N ATOM 335 CA ALA C 23 7.032 3.573 -1.411 1.00 0.00 C ATOM 336 C ALA C 23 8.297 3.770 -2.221 1.00 0.00 C ATOM 337 O ALA C 23 8.386 4.655 -3.072 1.00 0.00 O ATOM 338 CB ALA C 23 5.864 3.245 -2.325 1.00 0.00 C ATOM 0 H ALA C 23 6.400 5.547 -1.165 1.00 0.00 H new ATOM 0 HA ALA C 23 7.173 2.733 -0.730 1.00 0.00 H new ATOM 0 HB1 ALA C 23 6.095 2.351 -2.904 1.00 0.00 H new ATOM 0 HB2 ALA C 23 4.971 3.068 -1.725 1.00 0.00 H new ATOM 0 HB3 ALA C 23 5.687 4.080 -3.003 1.00 0.00 H new ATOM 344 N LEU C 24 9.273 2.945 -1.929 1.00 0.00 N ATOM 345 CA LEU C 24 10.566 3.009 -2.575 1.00 0.00 C ATOM 346 C LEU C 24 10.727 1.822 -3.523 1.00 0.00 C ATOM 347 O LEU C 24 10.934 0.690 -3.085 1.00 0.00 O ATOM 348 CB LEU C 24 11.690 3.019 -1.524 1.00 0.00 C ATOM 349 CG LEU C 24 11.874 4.331 -0.734 1.00 0.00 C ATOM 350 CD1 LEU C 24 12.136 5.493 -1.677 1.00 0.00 C ATOM 351 CD2 LEU C 24 10.670 4.631 0.152 1.00 0.00 C ATOM 0 H LEU C 24 9.194 2.204 -1.232 1.00 0.00 H new ATOM 0 HA LEU C 24 10.632 3.932 -3.151 1.00 0.00 H new ATOM 0 HB2 LEU C 24 11.501 2.215 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU C 24 12.630 2.787 -2.025 1.00 0.00 H new ATOM 0 HG LEU C 24 12.740 4.200 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU C 24 12.263 6.409 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU C 24 13.041 5.298 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU C 24 11.292 5.607 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU C 24 10.839 5.563 0.692 1.00 0.00 H new ATOM 0 HD22 LEU C 24 9.778 4.726 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU C 24 10.532 3.819 0.865 1.00 0.00 H new ATOM 363 N PRO C 25 10.611 2.064 -4.835 1.00 0.00 N ATOM 364 CA PRO C 25 10.687 1.001 -5.837 1.00 0.00 C ATOM 365 C PRO C 25 12.094 0.429 -5.967 1.00 0.00 C ATOM 366 O PRO C 25 13.053 1.155 -6.241 1.00 0.00 O ATOM 367 CB PRO C 25 10.259 1.695 -7.132 1.00 0.00 C ATOM 368 CG PRO C 25 10.558 3.139 -6.917 1.00 0.00 C ATOM 369 CD PRO C 25 10.410 3.392 -5.443 1.00 0.00 C ATOM 0 HA PRO C 25 10.060 0.148 -5.576 1.00 0.00 H new ATOM 0 HB2 PRO C 25 10.807 1.303 -7.989 1.00 0.00 H new ATOM 0 HB3 PRO C 25 9.199 1.538 -7.332 1.00 0.00 H new ATOM 0 HG2 PRO C 25 11.567 3.380 -7.252 1.00 0.00 H new ATOM 0 HG3 PRO C 25 9.874 3.766 -7.489 1.00 0.00 H new ATOM 0 HD2 PRO C 25 11.147 4.111 -5.085 1.00 0.00 H new ATOM 0 HD3 PRO C 25 9.427 3.797 -5.204 1.00 0.00 H new ATOM 377 N ILE C 26 12.214 -0.875 -5.763 1.00 0.00 N ATOM 378 CA ILE C 26 13.502 -1.540 -5.844 1.00 0.00 C ATOM 379 C ILE C 26 13.876 -1.753 -7.304 1.00 0.00 C ATOM 380 O ILE C 26 13.254 -2.556 -8.003 1.00 0.00 O ATOM 381 CB ILE C 26 13.487 -2.902 -5.114 1.00 0.00 C ATOM 382 CG1 ILE C 26 12.910 -2.741 -3.698 1.00 0.00 C ATOM 383 CG2 ILE C 26 14.897 -3.476 -5.059 1.00 0.00 C ATOM 384 CD1 ILE C 26 12.777 -4.039 -2.925 1.00 0.00 C ATOM 0 H ILE C 26 11.433 -1.492 -5.540 1.00 0.00 H new ATOM 0 HA ILE C 26 14.239 -0.902 -5.356 1.00 0.00 H new ATOM 0 HB ILE C 26 12.851 -3.594 -5.665 1.00 0.00 H new ATOM 0 HG12 ILE C 26 13.548 -2.060 -3.134 1.00 0.00 H new ATOM 0 HG13 ILE C 26 11.928 -2.273 -3.770 1.00 0.00 H new ATOM 0 HG21 ILE C 26 14.879 -4.436 -4.543 1.00 0.00 H new ATOM 0 HG22 ILE C 26 15.273 -3.616 -6.073 1.00 0.00 H new ATOM 0 HG23 ILE C 26 15.549 -2.788 -4.522 1.00 0.00 H new ATOM 0 HD11 ILE C 26 12.363 -3.834 -1.938 1.00 0.00 H new ATOM 0 HD12 ILE C 26 12.114 -4.717 -3.463 1.00 0.00 H new ATOM 0 HD13 ILE C 26 13.759 -4.501 -2.818 1.00 0.00 H new ATOM 396 N LYS C 27 14.882 -1.025 -7.763 1.00 0.00 N ATOM 397 CA LYS C 27 15.263 -1.058 -9.165 1.00 0.00 C ATOM 398 C LYS C 27 16.057 -2.316 -9.492 1.00 0.00 C ATOM 399 O LYS C 27 15.777 -2.993 -10.482 1.00 0.00 O ATOM 400 CB LYS C 27 16.059 0.198 -9.532 1.00 0.00 C ATOM 401 CG LYS C 27 16.496 0.233 -10.990 1.00 0.00 C ATOM 402 CD LYS C 27 17.026 1.600 -11.390 1.00 0.00 C ATOM 403 CE LYS C 27 15.945 2.664 -11.292 1.00 0.00 C ATOM 404 NZ LYS C 27 16.408 3.987 -11.780 1.00 0.00 N ATOM 0 H LYS C 27 15.449 -0.405 -7.185 1.00 0.00 H new ATOM 0 HA LYS C 27 14.352 -1.078 -9.762 1.00 0.00 H new ATOM 0 HB2 LYS C 27 15.452 1.078 -9.321 1.00 0.00 H new ATOM 0 HB3 LYS C 27 16.941 0.259 -8.895 1.00 0.00 H new ATOM 0 HG2 LYS C 27 17.268 -0.518 -11.156 1.00 0.00 H new ATOM 0 HG3 LYS C 27 15.653 -0.030 -11.628 1.00 0.00 H new ATOM 0 HD2 LYS C 27 17.864 1.870 -10.747 1.00 0.00 H new ATOM 0 HD3 LYS C 27 17.408 1.560 -12.410 1.00 0.00 H new ATOM 0 HE2 LYS C 27 15.076 2.350 -11.871 1.00 0.00 H new ATOM 0 HE3 LYS C 27 15.621 2.755 -10.255 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 15.836 4.738 -11.343 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 17.408 4.120 -11.526 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 16.305 4.031 -12.814 1.00 0.00 H new ATOM 418 N ALA C 28 17.040 -2.636 -8.662 1.00 0.00 N ATOM 419 CA ALA C 28 17.856 -3.817 -8.889 1.00 0.00 C ATOM 420 C ALA C 28 18.512 -4.307 -7.605 1.00 0.00 C ATOM 421 O ALA C 28 18.616 -3.570 -6.626 1.00 0.00 O ATOM 422 CB ALA C 28 18.915 -3.536 -9.943 1.00 0.00 C ATOM 0 H ALA C 28 17.289 -2.098 -7.832 1.00 0.00 H new ATOM 0 HA ALA C 28 17.195 -4.606 -9.247 1.00 0.00 H new ATOM 0 HB1 ALA C 28 19.517 -4.431 -10.101 1.00 0.00 H new ATOM 0 HB2 ALA C 28 18.432 -3.254 -10.878 1.00 0.00 H new ATOM 0 HB3 ALA C 28 19.556 -2.722 -9.606 1.00 0.00 H new ATOM 428 N ILE C 29 18.928 -5.567 -7.629 1.00 0.00 N ATOM 429 CA ILE C 29 19.670 -6.188 -6.541 1.00 0.00 C ATOM 430 C ILE C 29 20.647 -7.193 -7.130 1.00 0.00 C ATOM 431 O ILE C 29 20.343 -7.848 -8.126 1.00 0.00 O ATOM 432 CB ILE C 29 18.734 -6.916 -5.530 1.00 0.00 C ATOM 433 CG1 ILE C 29 17.915 -5.924 -4.702 1.00 0.00 C ATOM 434 CG2 ILE C 29 19.529 -7.820 -4.597 1.00 0.00 C ATOM 435 CD1 ILE C 29 16.716 -6.554 -4.029 1.00 0.00 C ATOM 0 H ILE C 29 18.757 -6.194 -8.415 1.00 0.00 H new ATOM 0 HA ILE C 29 20.194 -5.402 -5.997 1.00 0.00 H new ATOM 0 HB ILE C 29 18.049 -7.525 -6.119 1.00 0.00 H new ATOM 0 HG12 ILE C 29 18.557 -5.478 -3.942 1.00 0.00 H new ATOM 0 HG13 ILE C 29 17.576 -5.114 -5.348 1.00 0.00 H new ATOM 0 HG21 ILE C 29 18.849 -8.314 -3.903 1.00 0.00 H new ATOM 0 HG22 ILE C 29 20.059 -8.571 -5.183 1.00 0.00 H new ATOM 0 HG23 ILE C 29 20.248 -7.222 -4.037 1.00 0.00 H new ATOM 0 HD11 ILE C 29 16.179 -5.796 -3.458 1.00 0.00 H new ATOM 0 HD12 ILE C 29 16.054 -6.975 -4.785 1.00 0.00 H new ATOM 0 HD13 ILE C 29 17.050 -7.345 -3.357 1.00 0.00 H new ATOM 447 N LYS C 30 21.819 -7.293 -6.530 1.00 0.00 N ATOM 448 CA LYS C 30 22.838 -8.228 -6.985 1.00 0.00 C ATOM 449 C LYS C 30 23.371 -9.042 -5.816 1.00 0.00 C ATOM 450 O LYS C 30 24.030 -8.505 -4.924 1.00 0.00 O ATOM 451 CB LYS C 30 23.998 -7.498 -7.667 1.00 0.00 C ATOM 452 CG LYS C 30 23.602 -6.702 -8.902 1.00 0.00 C ATOM 453 CD LYS C 30 23.135 -7.602 -10.038 1.00 0.00 C ATOM 454 CE LYS C 30 24.253 -8.504 -10.539 1.00 0.00 C ATOM 455 NZ LYS C 30 23.860 -9.244 -11.766 1.00 0.00 N ATOM 0 H LYS C 30 22.092 -6.735 -5.721 1.00 0.00 H new ATOM 0 HA LYS C 30 22.372 -8.895 -7.711 1.00 0.00 H new ATOM 0 HB2 LYS C 30 24.459 -6.822 -6.947 1.00 0.00 H new ATOM 0 HB3 LYS C 30 24.756 -8.229 -7.949 1.00 0.00 H new ATOM 0 HG2 LYS C 30 22.806 -6.004 -8.643 1.00 0.00 H new ATOM 0 HG3 LYS C 30 24.452 -6.107 -9.237 1.00 0.00 H new ATOM 0 HD2 LYS C 30 22.299 -8.213 -9.697 1.00 0.00 H new ATOM 0 HD3 LYS C 30 22.767 -6.988 -10.860 1.00 0.00 H new ATOM 0 HE2 LYS C 30 25.139 -7.904 -10.745 1.00 0.00 H new ATOM 0 HE3 LYS C 30 24.524 -9.214 -9.758 1.00 0.00 H new ATOM 0 HZ1 LYS C 30 24.649 -9.847 -12.075 1.00 0.00 H new ATOM 0 HZ2 LYS C 30 23.030 -9.837 -11.563 1.00 0.00 H new ATOM 0 HZ3 LYS C 30 23.626 -8.567 -12.520 1.00 0.00 H new ATOM 469 N TYR C 31 23.069 -10.329 -5.826 1.00 0.00 N ATOM 470 CA TYR C 31 23.554 -11.245 -4.808 1.00 0.00 C ATOM 471 C TYR C 31 24.965 -11.702 -5.140 1.00 0.00 C ATOM 472 O TYR C 31 25.170 -12.519 -6.039 1.00 0.00 O ATOM 473 CB TYR C 31 22.616 -12.448 -4.672 1.00 0.00 C ATOM 474 CG TYR C 31 21.288 -12.101 -4.038 1.00 0.00 C ATOM 475 CD1 TYR C 31 20.205 -11.700 -4.811 1.00 0.00 C ATOM 476 CD2 TYR C 31 21.123 -12.164 -2.660 1.00 0.00 C ATOM 477 CE1 TYR C 31 18.998 -11.370 -4.226 1.00 0.00 C ATOM 478 CE2 TYR C 31 19.918 -11.839 -2.071 1.00 0.00 C ATOM 479 CZ TYR C 31 18.860 -11.441 -2.856 1.00 0.00 C ATOM 480 OH TYR C 31 17.662 -11.110 -2.270 1.00 0.00 O ATOM 0 H TYR C 31 22.483 -10.767 -6.537 1.00 0.00 H new ATOM 0 HA TYR C 31 23.575 -10.721 -3.853 1.00 0.00 H new ATOM 0 HB2 TYR C 31 22.439 -12.876 -5.659 1.00 0.00 H new ATOM 0 HB3 TYR C 31 23.106 -13.217 -4.075 1.00 0.00 H new ATOM 0 HD1 TYR C 31 20.309 -11.646 -5.885 1.00 0.00 H new ATOM 0 HD2 TYR C 31 21.951 -12.472 -2.039 1.00 0.00 H new ATOM 0 HE1 TYR C 31 18.166 -11.058 -4.839 1.00 0.00 H new ATOM 0 HE2 TYR C 31 19.806 -11.897 -0.998 1.00 0.00 H new ATOM 0 HH TYR C 31 16.929 -11.311 -2.888 1.00 0.00 H new ATOM 490 N ALA C 32 25.932 -11.154 -4.422 1.00 0.00 N ATOM 491 CA ALA C 32 27.321 -11.462 -4.638 1.00 0.00 C ATOM 492 C ALA C 32 27.657 -12.818 -4.054 1.00 0.00 C ATOM 493 O ALA C 32 26.913 -13.379 -3.247 1.00 0.00 O ATOM 494 CB ALA C 32 28.197 -10.385 -4.017 1.00 0.00 C ATOM 0 H ALA C 32 25.767 -10.482 -3.673 1.00 0.00 H new ATOM 0 HA ALA C 32 27.511 -11.492 -5.711 1.00 0.00 H new ATOM 0 HB1 ALA C 32 29.246 -10.627 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA C 32 27.969 -9.422 -4.474 1.00 0.00 H new ATOM 0 HB3 ALA C 32 28.005 -10.333 -2.945 1.00 0.00 H new ATOM 500 N ASN C 33 28.801 -13.311 -4.466 1.00 0.00 N ATOM 501 CA ASN C 33 29.235 -14.675 -4.165 1.00 0.00 C ATOM 502 C ASN C 33 29.517 -14.875 -2.681 1.00 0.00 C ATOM 503 O ASN C 33 29.548 -16.007 -2.201 1.00 0.00 O ATOM 504 CB ASN C 33 30.481 -15.040 -4.983 1.00 0.00 C ATOM 505 CG ASN C 33 31.725 -14.279 -4.553 1.00 0.00 C ATOM 506 OD1 ASN C 33 32.456 -14.716 -3.665 1.00 0.00 O ATOM 507 ND2 ASN C 33 31.984 -13.150 -5.193 1.00 0.00 N ATOM 0 H ASN C 33 29.470 -12.781 -5.025 1.00 0.00 H new ATOM 0 HA ASN C 33 28.413 -15.336 -4.441 1.00 0.00 H new ATOM 0 HB2 ASN C 33 30.668 -16.110 -4.891 1.00 0.00 H new ATOM 0 HB3 ASN C 33 30.287 -14.840 -6.037 1.00 0.00 H new ATOM 0 HD21 ASN C 33 32.815 -12.608 -4.956 1.00 0.00 H new ATOM 0 HD22 ASN C 33 31.353 -12.822 -5.924 1.00 0.00 H new ATOM 514 N ASP C 34 29.727 -13.785 -1.959 1.00 0.00 N ATOM 515 CA ASP C 34 29.987 -13.864 -0.526 1.00 0.00 C ATOM 516 C ASP C 34 28.674 -13.924 0.248 1.00 0.00 C ATOM 517 O ASP C 34 28.631 -14.398 1.385 1.00 0.00 O ATOM 518 CB ASP C 34 30.817 -12.665 -0.055 1.00 0.00 C ATOM 519 CG ASP C 34 30.074 -11.353 -0.195 1.00 0.00 C ATOM 520 OD1 ASP C 34 29.377 -10.955 0.761 1.00 0.00 O ATOM 521 OD2 ASP C 34 30.173 -10.721 -1.266 1.00 0.00 O ATOM 0 H ASP C 34 29.723 -12.838 -2.338 1.00 0.00 H new ATOM 0 HA ASP C 34 30.555 -14.774 -0.334 1.00 0.00 H new ATOM 0 HB2 ASP C 34 31.098 -12.810 0.988 1.00 0.00 H new ATOM 0 HB3 ASP C 34 31.741 -12.618 -0.631 1.00 0.00 H new ATOM 526 N GLY C 35 27.603 -13.454 -0.376 1.00 0.00 N ATOM 527 CA GLY C 35 26.307 -13.470 0.266 1.00 0.00 C ATOM 528 C GLY C 35 25.677 -12.094 0.338 1.00 0.00 C ATOM 529 O GLY C 35 24.455 -11.972 0.404 1.00 0.00 O ATOM 0 H GLY C 35 27.610 -13.061 -1.317 1.00 0.00 H new ATOM 0 HA2 GLY C 35 25.644 -14.141 -0.279 1.00 0.00 H new ATOM 0 HA3 GLY C 35 26.410 -13.872 1.274 1.00 0.00 H new ATOM 533 N SER C 36 26.507 -11.057 0.335 1.00 0.00 N ATOM 534 CA SER C 36 26.010 -9.691 0.395 1.00 0.00 C ATOM 535 C SER C 36 25.238 -9.340 -0.873 1.00 0.00 C ATOM 536 O SER C 36 25.533 -9.849 -1.958 1.00 0.00 O ATOM 537 CB SER C 36 27.163 -8.707 0.602 1.00 0.00 C ATOM 538 OG SER C 36 28.147 -8.846 -0.408 1.00 0.00 O ATOM 0 H SER C 36 27.523 -11.137 0.292 1.00 0.00 H new ATOM 0 HA SER C 36 25.331 -9.615 1.244 1.00 0.00 H new ATOM 0 HB2 SER C 36 26.778 -7.687 0.600 1.00 0.00 H new ATOM 0 HB3 SER C 36 27.616 -8.875 1.579 1.00 0.00 H new ATOM 0 HG SER C 36 28.870 -8.204 -0.251 1.00 0.00 H new ATOM 544 N ALA C 37 24.247 -8.479 -0.732 1.00 0.00 N ATOM 545 CA ALA C 37 23.440 -8.073 -1.863 1.00 0.00 C ATOM 546 C ALA C 37 23.526 -6.576 -2.077 1.00 0.00 C ATOM 547 O ALA C 37 23.257 -5.793 -1.166 1.00 0.00 O ATOM 548 CB ALA C 37 21.994 -8.506 -1.677 1.00 0.00 C ATOM 0 H ALA C 37 23.983 -8.049 0.154 1.00 0.00 H new ATOM 0 HA ALA C 37 23.832 -8.567 -2.752 1.00 0.00 H new ATOM 0 HB1 ALA C 37 21.406 -8.190 -2.539 1.00 0.00 H new ATOM 0 HB2 ALA C 37 21.948 -9.591 -1.584 1.00 0.00 H new ATOM 0 HB3 ALA C 37 21.590 -8.047 -0.775 1.00 0.00 H new ATOM 554 N ASN C 38 23.923 -6.186 -3.277 1.00 0.00 N ATOM 555 CA ASN C 38 23.972 -4.783 -3.639 1.00 0.00 C ATOM 556 C ASN C 38 22.624 -4.349 -4.165 1.00 0.00 C ATOM 557 O ASN C 38 22.126 -4.910 -5.140 1.00 0.00 O ATOM 558 CB ASN C 38 25.046 -4.524 -4.694 1.00 0.00 C ATOM 559 CG ASN C 38 25.066 -3.083 -5.162 1.00 0.00 C ATOM 560 OD1 ASN C 38 25.793 -2.254 -4.623 1.00 0.00 O ATOM 561 ND2 ASN C 38 24.264 -2.777 -6.166 1.00 0.00 N ATOM 0 H ASN C 38 24.216 -6.824 -4.017 1.00 0.00 H new ATOM 0 HA ASN C 38 24.224 -4.207 -2.749 1.00 0.00 H new ATOM 0 HB2 ASN C 38 26.022 -4.783 -4.285 1.00 0.00 H new ATOM 0 HB3 ASN C 38 24.875 -5.178 -5.549 1.00 0.00 H new ATOM 0 HD21 ASN C 38 24.233 -1.821 -6.521 1.00 0.00 H new ATOM 0 HD22 ASN C 38 23.675 -3.496 -6.586 1.00 0.00 H new ATOM 568 N ALA C 39 22.031 -3.370 -3.518 1.00 0.00 N ATOM 569 CA ALA C 39 20.747 -2.863 -3.954 1.00 0.00 C ATOM 570 C ALA C 39 20.917 -1.629 -4.816 1.00 0.00 C ATOM 571 O ALA C 39 21.969 -0.993 -4.803 1.00 0.00 O ATOM 572 CB ALA C 39 19.844 -2.572 -2.767 1.00 0.00 C ATOM 0 H ALA C 39 22.414 -2.910 -2.692 1.00 0.00 H new ATOM 0 HA ALA C 39 20.270 -3.635 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA C 39 18.886 -2.192 -3.123 1.00 0.00 H new ATOM 0 HB2 ALA C 39 19.683 -3.488 -2.199 1.00 0.00 H new ATOM 0 HB3 ALA C 39 20.314 -1.826 -2.126 1.00 0.00 H new ATOM 578 N GLU C 40 19.886 -1.321 -5.583 1.00 0.00 N ATOM 579 CA GLU C 40 19.868 -0.132 -6.412 1.00 0.00 C ATOM 580 C GLU C 40 18.468 0.484 -6.404 1.00 0.00 C ATOM 581 O GLU C 40 17.499 -0.169 -6.801 1.00 0.00 O ATOM 582 CB GLU C 40 20.288 -0.474 -7.845 1.00 0.00 C ATOM 583 CG GLU C 40 20.212 0.706 -8.801 1.00 0.00 C ATOM 584 CD GLU C 40 20.790 0.399 -10.167 1.00 0.00 C ATOM 585 OE1 GLU C 40 21.860 0.955 -10.499 1.00 0.00 O ATOM 586 OE2 GLU C 40 20.182 -0.391 -10.919 1.00 0.00 O ATOM 0 H GLU C 40 19.040 -1.888 -5.648 1.00 0.00 H new ATOM 0 HA GLU C 40 20.577 0.591 -6.008 1.00 0.00 H new ATOM 0 HB2 GLU C 40 21.309 -0.856 -7.834 1.00 0.00 H new ATOM 0 HB3 GLU C 40 19.651 -1.276 -8.220 1.00 0.00 H new ATOM 0 HG2 GLU C 40 19.171 1.009 -8.913 1.00 0.00 H new ATOM 0 HG3 GLU C 40 20.746 1.552 -8.368 1.00 0.00 H new ATOM 593 N PHE C 41 18.353 1.716 -5.921 1.00 0.00 N ATOM 594 CA PHE C 41 17.086 2.434 -5.939 1.00 0.00 C ATOM 595 C PHE C 41 17.202 3.682 -6.802 1.00 0.00 C ATOM 596 O PHE C 41 18.299 4.028 -7.248 1.00 0.00 O ATOM 597 CB PHE C 41 16.654 2.813 -4.519 1.00 0.00 C ATOM 598 CG PHE C 41 16.155 1.653 -3.702 1.00 0.00 C ATOM 599 CD1 PHE C 41 14.798 1.476 -3.494 1.00 0.00 C ATOM 600 CD2 PHE C 41 17.037 0.742 -3.145 1.00 0.00 C ATOM 601 CE1 PHE C 41 14.331 0.415 -2.744 1.00 0.00 C ATOM 602 CE2 PHE C 41 16.576 -0.322 -2.396 1.00 0.00 C ATOM 603 CZ PHE C 41 15.221 -0.486 -2.195 1.00 0.00 C ATOM 0 H PHE C 41 19.126 2.239 -5.511 1.00 0.00 H new ATOM 0 HA PHE C 41 16.327 1.777 -6.364 1.00 0.00 H new ATOM 0 HB2 PHE C 41 17.498 3.271 -4.003 1.00 0.00 H new ATOM 0 HB3 PHE C 41 15.869 3.567 -4.578 1.00 0.00 H new ATOM 0 HD1 PHE C 41 14.096 2.176 -3.923 1.00 0.00 H new ATOM 0 HD2 PHE C 41 18.099 0.866 -3.299 1.00 0.00 H new ATOM 0 HE1 PHE C 41 13.270 0.290 -2.587 1.00 0.00 H new ATOM 0 HE2 PHE C 41 17.275 -1.025 -1.968 1.00 0.00 H new ATOM 0 HZ PHE C 41 14.857 -1.317 -1.609 1.00 0.00 H new ATOM 613 N ASP C 42 16.085 4.350 -7.050 1.00 0.00 N ATOM 614 CA ASP C 42 16.089 5.552 -7.878 1.00 0.00 C ATOM 615 C ASP C 42 16.778 6.708 -7.176 1.00 0.00 C ATOM 616 O ASP C 42 17.754 7.270 -7.681 1.00 0.00 O ATOM 617 CB ASP C 42 14.663 5.949 -8.272 1.00 0.00 C ATOM 618 CG ASP C 42 14.066 5.012 -9.300 1.00 0.00 C ATOM 619 OD1 ASP C 42 14.326 5.205 -10.506 1.00 0.00 O ATOM 620 OD2 ASP C 42 13.337 4.078 -8.912 1.00 0.00 O ATOM 0 H ASP C 42 15.167 4.084 -6.693 1.00 0.00 H new ATOM 0 HA ASP C 42 16.651 5.321 -8.783 1.00 0.00 H new ATOM 0 HB2 ASP C 42 14.032 5.958 -7.383 1.00 0.00 H new ATOM 0 HB3 ASP C 42 14.668 6.964 -8.669 1.00 0.00 H new ATOM 625 N GLY C 43 16.267 7.047 -6.012 1.00 0.00 N ATOM 626 CA GLY C 43 16.806 8.156 -5.245 1.00 0.00 C ATOM 627 C GLY C 43 18.078 7.795 -4.499 1.00 0.00 C ATOM 628 O GLY C 43 18.654 6.730 -4.730 1.00 0.00 O ATOM 0 H GLY C 43 15.478 6.572 -5.573 1.00 0.00 H new ATOM 0 HA2 GLY C 43 17.009 8.991 -5.916 1.00 0.00 H new ATOM 0 HA3 GLY C 43 16.056 8.496 -4.531 1.00 0.00 H new ATOM 632 N PRO C 44 18.526 8.659 -3.570 1.00 0.00 N ATOM 633 CA PRO C 44 19.762 8.447 -2.796 1.00 0.00 C ATOM 634 C PRO C 44 19.595 7.387 -1.705 1.00 0.00 C ATOM 635 O PRO C 44 20.087 7.535 -0.585 1.00 0.00 O ATOM 636 CB PRO C 44 20.015 9.820 -2.175 1.00 0.00 C ATOM 637 CG PRO C 44 18.659 10.411 -2.022 1.00 0.00 C ATOM 638 CD PRO C 44 17.861 9.926 -3.201 1.00 0.00 C ATOM 0 HA PRO C 44 20.580 8.081 -3.417 1.00 0.00 H new ATOM 0 HB2 PRO C 44 20.522 9.734 -1.214 1.00 0.00 H new ATOM 0 HB3 PRO C 44 20.647 10.436 -2.815 1.00 0.00 H new ATOM 0 HG2 PRO C 44 18.200 10.097 -1.084 1.00 0.00 H new ATOM 0 HG3 PRO C 44 18.707 11.500 -2.005 1.00 0.00 H new ATOM 0 HD2 PRO C 44 16.814 9.769 -2.940 1.00 0.00 H new ATOM 0 HD3 PRO C 44 17.881 10.643 -4.021 1.00 0.00 H new ATOM 646 N TYR C 45 18.898 6.320 -2.047 1.00 0.00 N ATOM 647 CA TYR C 45 18.627 5.240 -1.118 1.00 0.00 C ATOM 648 C TYR C 45 19.582 4.084 -1.369 1.00 0.00 C ATOM 649 O TYR C 45 20.528 4.234 -2.147 1.00 0.00 O ATOM 650 CB TYR C 45 17.166 4.795 -1.228 1.00 0.00 C ATOM 651 CG TYR C 45 16.192 5.860 -0.775 1.00 0.00 C ATOM 652 CD1 TYR C 45 15.804 6.886 -1.628 1.00 0.00 C ATOM 653 CD2 TYR C 45 15.675 5.850 0.515 1.00 0.00 C ATOM 654 CE1 TYR C 45 14.930 7.871 -1.211 1.00 0.00 C ATOM 655 CE2 TYR C 45 14.797 6.829 0.939 1.00 0.00 C ATOM 656 CZ TYR C 45 14.430 7.839 0.074 1.00 0.00 C ATOM 657 OH TYR C 45 13.562 8.820 0.496 1.00 0.00 O ATOM 0 H TYR C 45 18.504 6.178 -2.977 1.00 0.00 H new ATOM 0 HA TYR C 45 18.788 5.595 -0.100 1.00 0.00 H new ATOM 0 HB2 TYR C 45 16.950 4.528 -2.262 1.00 0.00 H new ATOM 0 HB3 TYR C 45 17.019 3.896 -0.629 1.00 0.00 H new ATOM 0 HD1 TYR C 45 16.193 6.914 -2.635 1.00 0.00 H new ATOM 0 HD2 TYR C 45 15.964 5.064 1.197 1.00 0.00 H new ATOM 0 HE1 TYR C 45 14.640 8.662 -1.887 1.00 0.00 H new ATOM 0 HE2 TYR C 45 14.400 6.804 1.943 1.00 0.00 H new ATOM 0 HH TYR C 45 13.303 8.650 1.426 1.00 0.00 H new ATOM 667 N ALA C 46 19.355 2.968 -0.676 1.00 0.00 N ATOM 668 CA ALA C 46 20.220 1.790 -0.750 1.00 0.00 C ATOM 669 C ALA C 46 20.789 1.552 -2.151 1.00 0.00 C ATOM 670 O ALA C 46 20.058 1.292 -3.109 1.00 0.00 O ATOM 671 CB ALA C 46 19.463 0.558 -0.272 1.00 0.00 C ATOM 0 H ALA C 46 18.562 2.855 -0.044 1.00 0.00 H new ATOM 0 HA ALA C 46 21.071 1.979 -0.096 1.00 0.00 H new ATOM 0 HB1 ALA C 46 20.114 -0.314 -0.330 1.00 0.00 H new ATOM 0 HB2 ALA C 46 19.144 0.705 0.760 1.00 0.00 H new ATOM 0 HB3 ALA C 46 18.588 0.401 -0.903 1.00 0.00 H new ATOM 677 N ASP C 47 22.103 1.677 -2.248 1.00 0.00 N ATOM 678 CA ASP C 47 22.831 1.427 -3.486 1.00 0.00 C ATOM 679 C ASP C 47 24.215 0.908 -3.128 1.00 0.00 C ATOM 680 O ASP C 47 25.233 1.567 -3.346 1.00 0.00 O ATOM 681 CB ASP C 47 22.908 2.711 -4.329 1.00 0.00 C ATOM 682 CG ASP C 47 23.683 2.546 -5.627 1.00 0.00 C ATOM 683 OD1 ASP C 47 24.730 3.214 -5.782 1.00 0.00 O ATOM 684 OD2 ASP C 47 23.248 1.775 -6.506 1.00 0.00 O ATOM 0 H ASP C 47 22.699 1.956 -1.468 1.00 0.00 H new ATOM 0 HA ASP C 47 22.314 0.680 -4.088 1.00 0.00 H new ATOM 0 HB2 ASP C 47 21.896 3.044 -4.560 1.00 0.00 H new ATOM 0 HB3 ASP C 47 23.374 3.497 -3.735 1.00 0.00 H new ATOM 689 N GLN C 48 24.235 -0.282 -2.539 1.00 0.00 N ATOM 690 CA GLN C 48 25.436 -0.814 -1.919 1.00 0.00 C ATOM 691 C GLN C 48 25.264 -2.284 -1.568 1.00 0.00 C ATOM 692 O GLN C 48 24.140 -2.785 -1.522 1.00 0.00 O ATOM 693 CB GLN C 48 25.756 -0.017 -0.653 1.00 0.00 C ATOM 694 CG GLN C 48 24.534 0.379 0.176 1.00 0.00 C ATOM 695 CD GLN C 48 23.906 -0.776 0.933 1.00 0.00 C ATOM 696 OE1 GLN C 48 24.586 -1.708 1.353 1.00 0.00 O ATOM 697 NE2 GLN C 48 22.596 -0.721 1.115 1.00 0.00 N ATOM 0 H GLN C 48 23.425 -0.899 -2.479 1.00 0.00 H new ATOM 0 HA GLN C 48 26.258 -0.725 -2.629 1.00 0.00 H new ATOM 0 HB2 GLN C 48 26.427 -0.607 -0.028 1.00 0.00 H new ATOM 0 HB3 GLN C 48 26.296 0.887 -0.935 1.00 0.00 H new ATOM 0 HG2 GLN C 48 24.824 1.152 0.887 1.00 0.00 H new ATOM 0 HG3 GLN C 48 23.786 0.818 -0.484 1.00 0.00 H new ATOM 0 HE21 GLN C 48 22.063 0.069 0.752 1.00 0.00 H new ATOM 0 HE22 GLN C 48 22.119 -1.469 1.619 1.00 0.00 H new ATOM 706 N TYR C 49 26.378 -2.967 -1.320 1.00 0.00 N ATOM 707 CA TYR C 49 26.340 -4.349 -0.863 1.00 0.00 C ATOM 708 C TYR C 49 26.054 -4.382 0.628 1.00 0.00 C ATOM 709 O TYR C 49 26.888 -3.969 1.434 1.00 0.00 O ATOM 710 CB TYR C 49 27.670 -5.058 -1.128 1.00 0.00 C ATOM 711 CG TYR C 49 28.015 -5.233 -2.588 1.00 0.00 C ATOM 712 CD1 TYR C 49 28.718 -4.253 -3.278 1.00 0.00 C ATOM 713 CD2 TYR C 49 27.659 -6.388 -3.271 1.00 0.00 C ATOM 714 CE1 TYR C 49 29.052 -4.420 -4.606 1.00 0.00 C ATOM 715 CE2 TYR C 49 27.987 -6.560 -4.601 1.00 0.00 C ATOM 716 CZ TYR C 49 28.685 -5.573 -5.262 1.00 0.00 C ATOM 717 OH TYR C 49 29.027 -5.742 -6.582 1.00 0.00 O ATOM 0 H TYR C 49 27.317 -2.584 -1.428 1.00 0.00 H new ATOM 0 HA TYR C 49 25.554 -4.865 -1.414 1.00 0.00 H new ATOM 0 HB2 TYR C 49 28.468 -4.494 -0.646 1.00 0.00 H new ATOM 0 HB3 TYR C 49 27.643 -6.040 -0.655 1.00 0.00 H new ATOM 0 HD1 TYR C 49 29.007 -3.347 -2.767 1.00 0.00 H new ATOM 0 HD2 TYR C 49 27.116 -7.165 -2.753 1.00 0.00 H new ATOM 0 HE1 TYR C 49 29.599 -3.649 -5.129 1.00 0.00 H new ATOM 0 HE2 TYR C 49 27.698 -7.462 -5.120 1.00 0.00 H new ATOM 0 HH TYR C 49 28.695 -6.608 -6.898 1.00 0.00 H new ATOM 727 N MET C 50 24.884 -4.871 0.994 1.00 0.00 N ATOM 728 CA MET C 50 24.504 -4.933 2.394 1.00 0.00 C ATOM 729 C MET C 50 25.023 -6.225 3.007 1.00 0.00 C ATOM 730 O MET C 50 25.090 -7.250 2.326 1.00 0.00 O ATOM 731 CB MET C 50 22.983 -4.843 2.541 1.00 0.00 C ATOM 732 CG MET C 50 22.519 -4.617 3.972 1.00 0.00 C ATOM 733 SD MET C 50 23.168 -3.086 4.672 1.00 0.00 S ATOM 734 CE MET C 50 22.411 -3.113 6.294 1.00 0.00 C ATOM 0 H MET C 50 24.183 -5.230 0.346 1.00 0.00 H new ATOM 0 HA MET C 50 24.946 -4.087 2.920 1.00 0.00 H new ATOM 0 HB2 MET C 50 22.614 -4.030 1.916 1.00 0.00 H new ATOM 0 HB3 MET C 50 22.535 -5.763 2.164 1.00 0.00 H new ATOM 0 HG2 MET C 50 21.430 -4.592 3.998 1.00 0.00 H new ATOM 0 HG3 MET C 50 22.834 -5.458 4.590 1.00 0.00 H new ATOM 0 HE1 MET C 50 22.629 -2.179 6.813 1.00 0.00 H new ATOM 0 HE2 MET C 50 21.332 -3.227 6.190 1.00 0.00 H new ATOM 0 HE3 MET C 50 22.811 -3.949 6.868 1.00 0.00 H new ATOM 744 N SER C 51 25.398 -6.158 4.280 1.00 0.00 N ATOM 745 CA SER C 51 25.935 -7.300 5.006 1.00 0.00 C ATOM 746 C SER C 51 25.071 -8.546 4.819 1.00 0.00 C ATOM 747 O SER C 51 23.849 -8.499 4.954 1.00 0.00 O ATOM 748 CB SER C 51 26.037 -6.938 6.486 1.00 0.00 C ATOM 749 OG SER C 51 25.119 -5.905 6.811 1.00 0.00 O ATOM 0 H SER C 51 25.337 -5.306 4.838 1.00 0.00 H new ATOM 0 HA SER C 51 26.923 -7.534 4.610 1.00 0.00 H new ATOM 0 HB2 SER C 51 25.834 -7.818 7.096 1.00 0.00 H new ATOM 0 HB3 SER C 51 27.052 -6.616 6.718 1.00 0.00 H new ATOM 0 HG SER C 51 25.251 -5.631 7.743 1.00 0.00 H new ATOM 755 N ALA C 52 25.735 -9.657 4.506 1.00 0.00 N ATOM 756 CA ALA C 52 25.067 -10.906 4.160 1.00 0.00 C ATOM 757 C ALA C 52 24.217 -11.433 5.300 1.00 0.00 C ATOM 758 O ALA C 52 23.161 -12.016 5.068 1.00 0.00 O ATOM 759 CB ALA C 52 26.092 -11.949 3.746 1.00 0.00 C ATOM 0 H ALA C 52 26.753 -9.715 4.486 1.00 0.00 H new ATOM 0 HA ALA C 52 24.399 -10.699 3.324 1.00 0.00 H new ATOM 0 HB1 ALA C 52 25.583 -12.878 3.490 1.00 0.00 H new ATOM 0 HB2 ALA C 52 26.648 -11.589 2.880 1.00 0.00 H new ATOM 0 HB3 ALA C 52 26.782 -12.129 4.571 1.00 0.00 H new ATOM 765 N GLN C 53 24.676 -11.228 6.527 1.00 0.00 N ATOM 766 CA GLN C 53 23.903 -11.616 7.697 1.00 0.00 C ATOM 767 C GLN C 53 22.591 -10.839 7.725 1.00 0.00 C ATOM 768 O GLN C 53 21.534 -11.365 8.090 1.00 0.00 O ATOM 769 CB GLN C 53 24.710 -11.372 8.977 1.00 0.00 C ATOM 770 CG GLN C 53 25.065 -9.912 9.219 1.00 0.00 C ATOM 771 CD GLN C 53 25.977 -9.715 10.413 1.00 0.00 C ATOM 772 OE1 GLN C 53 25.878 -10.596 11.395 1.00 0.00 O flip ATOM 773 NE2 GLN C 53 26.768 -8.774 10.451 1.00 0.00 N flip ATOM 0 H GLN C 53 25.576 -10.797 6.737 1.00 0.00 H new ATOM 0 HA GLN C 53 23.678 -12.681 7.641 1.00 0.00 H new ATOM 0 HB2 GLN C 53 24.140 -11.742 9.829 1.00 0.00 H new ATOM 0 HB3 GLN C 53 25.630 -11.956 8.931 1.00 0.00 H new ATOM 0 HG2 GLN C 53 25.548 -9.509 8.329 1.00 0.00 H new ATOM 0 HG3 GLN C 53 24.149 -9.341 9.370 1.00 0.00 H new ATOM 0 HE21 GLN C 53 26.815 -8.115 9.674 1.00 0.00 H new ATOM 0 HE22 GLN C 53 27.377 -8.652 11.260 1.00 0.00 H new ATOM 782 N THR C 54 22.663 -9.593 7.281 1.00 0.00 N ATOM 783 CA THR C 54 21.501 -8.736 7.236 1.00 0.00 C ATOM 784 C THR C 54 20.605 -9.152 6.078 1.00 0.00 C ATOM 785 O THR C 54 19.390 -9.214 6.208 1.00 0.00 O ATOM 786 CB THR C 54 21.909 -7.261 7.081 1.00 0.00 C ATOM 787 OG1 THR C 54 22.927 -6.943 8.041 1.00 0.00 O ATOM 788 CG2 THR C 54 20.715 -6.339 7.281 1.00 0.00 C ATOM 0 H THR C 54 23.522 -9.156 6.946 1.00 0.00 H new ATOM 0 HA THR C 54 20.957 -8.840 8.175 1.00 0.00 H new ATOM 0 HB THR C 54 22.291 -7.114 6.071 1.00 0.00 H new ATOM 0 HG1 THR C 54 23.668 -6.485 7.592 1.00 0.00 H new ATOM 0 HG21 THR C 54 21.032 -5.303 7.166 1.00 0.00 H new ATOM 0 HG22 THR C 54 19.950 -6.569 6.540 1.00 0.00 H new ATOM 0 HG23 THR C 54 20.307 -6.484 8.281 1.00 0.00 H new ATOM 796 N VAL C 55 21.228 -9.488 4.957 1.00 0.00 N ATOM 797 CA VAL C 55 20.501 -9.896 3.763 1.00 0.00 C ATOM 798 C VAL C 55 19.839 -11.253 3.983 1.00 0.00 C ATOM 799 O VAL C 55 18.823 -11.572 3.380 1.00 0.00 O ATOM 800 CB VAL C 55 21.451 -9.950 2.532 1.00 0.00 C ATOM 801 CG1 VAL C 55 20.826 -10.654 1.322 1.00 0.00 C ATOM 802 CG2 VAL C 55 21.895 -8.548 2.152 1.00 0.00 C ATOM 0 H VAL C 55 22.242 -9.486 4.850 1.00 0.00 H new ATOM 0 HA VAL C 55 19.725 -9.157 3.564 1.00 0.00 H new ATOM 0 HB VAL C 55 22.316 -10.544 2.828 1.00 0.00 H new ATOM 0 HG11 VAL C 55 21.538 -10.659 0.496 1.00 0.00 H new ATOM 0 HG12 VAL C 55 20.572 -11.680 1.589 1.00 0.00 H new ATOM 0 HG13 VAL C 55 19.923 -10.124 1.019 1.00 0.00 H new ATOM 0 HG21 VAL C 55 22.559 -8.598 1.289 1.00 0.00 H new ATOM 0 HG22 VAL C 55 21.022 -7.945 1.903 1.00 0.00 H new ATOM 0 HG23 VAL C 55 22.423 -8.094 2.991 1.00 0.00 H new ATOM 812 N ALA C 56 20.405 -12.035 4.879 1.00 0.00 N ATOM 813 CA ALA C 56 19.857 -13.336 5.200 1.00 0.00 C ATOM 814 C ALA C 56 18.464 -13.205 5.787 1.00 0.00 C ATOM 815 O ALA C 56 17.573 -13.997 5.477 1.00 0.00 O ATOM 816 CB ALA C 56 20.768 -14.074 6.161 1.00 0.00 C ATOM 0 H ALA C 56 21.248 -11.791 5.399 1.00 0.00 H new ATOM 0 HA ALA C 56 19.786 -13.911 4.277 1.00 0.00 H new ATOM 0 HB1 ALA C 56 20.340 -15.050 6.391 1.00 0.00 H new ATOM 0 HB2 ALA C 56 21.749 -14.206 5.704 1.00 0.00 H new ATOM 0 HB3 ALA C 56 20.871 -13.497 7.080 1.00 0.00 H new ATOM 822 N VAL C 57 18.266 -12.191 6.615 1.00 0.00 N ATOM 823 CA VAL C 57 16.961 -11.994 7.240 1.00 0.00 C ATOM 824 C VAL C 57 16.149 -10.940 6.495 1.00 0.00 C ATOM 825 O VAL C 57 14.922 -10.945 6.541 1.00 0.00 O ATOM 826 CB VAL C 57 17.076 -11.557 8.714 1.00 0.00 C ATOM 827 CG1 VAL C 57 15.807 -11.906 9.478 1.00 0.00 C ATOM 828 CG2 VAL C 57 18.297 -12.177 9.376 1.00 0.00 C ATOM 0 H VAL C 57 18.975 -11.502 6.868 1.00 0.00 H new ATOM 0 HA VAL C 57 16.459 -12.961 7.195 1.00 0.00 H new ATOM 0 HB VAL C 57 17.200 -10.474 8.736 1.00 0.00 H new ATOM 0 HG11 VAL C 57 15.909 -11.589 10.516 1.00 0.00 H new ATOM 0 HG12 VAL C 57 14.957 -11.396 9.024 1.00 0.00 H new ATOM 0 HG13 VAL C 57 15.645 -12.983 9.441 1.00 0.00 H new ATOM 0 HG21 VAL C 57 18.353 -11.851 10.415 1.00 0.00 H new ATOM 0 HG22 VAL C 57 18.218 -13.264 9.340 1.00 0.00 H new ATOM 0 HG23 VAL C 57 19.197 -11.861 8.848 1.00 0.00 H new ATOM 838 N PHE C 58 16.836 -10.047 5.799 1.00 0.00 N ATOM 839 CA PHE C 58 16.183 -8.879 5.216 1.00 0.00 C ATOM 840 C PHE C 58 16.240 -8.872 3.691 1.00 0.00 C ATOM 841 O PHE C 58 16.008 -7.833 3.073 1.00 0.00 O ATOM 842 CB PHE C 58 16.812 -7.589 5.751 1.00 0.00 C ATOM 843 CG PHE C 58 16.522 -7.314 7.200 1.00 0.00 C ATOM 844 CD1 PHE C 58 17.305 -7.871 8.199 1.00 0.00 C ATOM 845 CD2 PHE C 58 15.469 -6.490 7.562 1.00 0.00 C ATOM 846 CE1 PHE C 58 17.042 -7.612 9.530 1.00 0.00 C ATOM 847 CE2 PHE C 58 15.201 -6.229 8.891 1.00 0.00 C ATOM 848 CZ PHE C 58 15.988 -6.790 9.876 1.00 0.00 C ATOM 0 H PHE C 58 17.839 -10.105 5.623 1.00 0.00 H new ATOM 0 HA PHE C 58 15.135 -8.934 5.509 1.00 0.00 H new ATOM 0 HB2 PHE C 58 17.892 -7.640 5.612 1.00 0.00 H new ATOM 0 HB3 PHE C 58 16.454 -6.750 5.155 1.00 0.00 H new ATOM 0 HD1 PHE C 58 18.130 -8.515 7.934 1.00 0.00 H new ATOM 0 HD2 PHE C 58 14.850 -6.047 6.796 1.00 0.00 H new ATOM 0 HE1 PHE C 58 17.660 -8.052 10.299 1.00 0.00 H new ATOM 0 HE2 PHE C 58 14.376 -5.586 9.160 1.00 0.00 H new ATOM 0 HZ PHE C 58 15.780 -6.586 10.916 1.00 0.00 H new ATOM 858 N LYS C 59 16.575 -10.009 3.087 1.00 0.00 N ATOM 859 CA LYS C 59 16.571 -10.123 1.621 1.00 0.00 C ATOM 860 C LYS C 59 15.227 -9.678 1.027 1.00 0.00 C ATOM 861 O LYS C 59 14.187 -10.282 1.297 1.00 0.00 O ATOM 862 CB LYS C 59 16.887 -11.557 1.170 1.00 0.00 C ATOM 863 CG LYS C 59 15.979 -12.623 1.770 1.00 0.00 C ATOM 864 CD LYS C 59 16.180 -13.970 1.093 1.00 0.00 C ATOM 865 CE LYS C 59 17.575 -14.527 1.332 1.00 0.00 C ATOM 866 NZ LYS C 59 17.791 -14.901 2.755 1.00 0.00 N ATOM 0 H LYS C 59 16.851 -10.859 3.579 1.00 0.00 H new ATOM 0 HA LYS C 59 17.352 -9.460 1.250 1.00 0.00 H new ATOM 0 HB2 LYS C 59 16.816 -11.607 0.083 1.00 0.00 H new ATOM 0 HB3 LYS C 59 17.919 -11.788 1.432 1.00 0.00 H new ATOM 0 HG2 LYS C 59 16.182 -12.717 2.837 1.00 0.00 H new ATOM 0 HG3 LYS C 59 14.938 -12.315 1.669 1.00 0.00 H new ATOM 0 HD2 LYS C 59 15.439 -14.677 1.466 1.00 0.00 H new ATOM 0 HD3 LYS C 59 16.010 -13.866 0.021 1.00 0.00 H new ATOM 0 HE2 LYS C 59 17.729 -15.402 0.700 1.00 0.00 H new ATOM 0 HE3 LYS C 59 18.317 -13.785 1.036 1.00 0.00 H new ATOM 0 HZ1 LYS C 59 18.707 -15.384 2.852 1.00 0.00 H new ATOM 0 HZ2 LYS C 59 17.788 -14.044 3.344 1.00 0.00 H new ATOM 0 HZ3 LYS C 59 17.030 -15.538 3.066 1.00 0.00 H new ATOM 880 N PRO C 60 15.226 -8.607 0.213 1.00 0.00 N ATOM 881 CA PRO C 60 14.027 -8.099 -0.431 1.00 0.00 C ATOM 882 C PRO C 60 13.782 -8.781 -1.771 1.00 0.00 C ATOM 883 O PRO C 60 14.153 -9.939 -1.969 1.00 0.00 O ATOM 884 CB PRO C 60 14.341 -6.602 -0.632 1.00 0.00 C ATOM 885 CG PRO C 60 15.782 -6.419 -0.261 1.00 0.00 C ATOM 886 CD PRO C 60 16.381 -7.792 -0.157 1.00 0.00 C ATOM 0 HA PRO C 60 13.127 -8.278 0.157 1.00 0.00 H new ATOM 0 HB2 PRO C 60 14.165 -6.303 -1.665 1.00 0.00 H new ATOM 0 HB3 PRO C 60 13.697 -5.983 -0.007 1.00 0.00 H new ATOM 0 HG2 PRO C 60 16.303 -5.826 -1.013 1.00 0.00 H new ATOM 0 HG3 PRO C 60 15.873 -5.885 0.685 1.00 0.00 H new ATOM 0 HD2 PRO C 60 16.822 -8.116 -1.100 1.00 0.00 H new ATOM 0 HD3 PRO C 60 17.168 -7.837 0.596 1.00 0.00 H new ATOM 894 N GLU C 61 13.165 -8.054 -2.688 1.00 0.00 N ATOM 895 CA GLU C 61 12.835 -8.588 -4.001 1.00 0.00 C ATOM 896 C GLU C 61 13.347 -7.659 -5.092 1.00 0.00 C ATOM 897 O GLU C 61 13.137 -6.446 -5.035 1.00 0.00 O ATOM 898 CB GLU C 61 11.323 -8.778 -4.150 1.00 0.00 C ATOM 899 CG GLU C 61 10.738 -9.807 -3.197 1.00 0.00 C ATOM 900 CD GLU C 61 9.278 -10.093 -3.477 1.00 0.00 C ATOM 901 OE1 GLU C 61 8.996 -10.926 -4.363 1.00 0.00 O ATOM 902 OE2 GLU C 61 8.409 -9.496 -2.807 1.00 0.00 O ATOM 0 H GLU C 61 12.880 -7.085 -2.546 1.00 0.00 H new ATOM 0 HA GLU C 61 13.318 -9.560 -4.101 1.00 0.00 H new ATOM 0 HB2 GLU C 61 10.828 -7.821 -3.985 1.00 0.00 H new ATOM 0 HB3 GLU C 61 11.103 -9.079 -5.174 1.00 0.00 H new ATOM 0 HG2 GLU C 61 11.307 -10.733 -3.274 1.00 0.00 H new ATOM 0 HG3 GLU C 61 10.845 -9.451 -2.172 1.00 0.00 H new ATOM 909 N VAL C 62 14.018 -8.229 -6.081 1.00 0.00 N ATOM 910 CA VAL C 62 14.560 -7.459 -7.179 1.00 0.00 C ATOM 911 C VAL C 62 13.441 -7.047 -8.128 1.00 0.00 C ATOM 912 O VAL C 62 12.873 -7.860 -8.858 1.00 0.00 O ATOM 913 CB VAL C 62 15.681 -8.229 -7.930 1.00 0.00 C ATOM 914 CG1 VAL C 62 15.227 -9.620 -8.349 1.00 0.00 C ATOM 915 CG2 VAL C 62 16.170 -7.434 -9.132 1.00 0.00 C ATOM 0 H VAL C 62 14.199 -9.231 -6.141 1.00 0.00 H new ATOM 0 HA VAL C 62 15.020 -6.560 -6.767 1.00 0.00 H new ATOM 0 HB VAL C 62 16.513 -8.353 -7.237 1.00 0.00 H new ATOM 0 HG11 VAL C 62 16.039 -10.126 -8.871 1.00 0.00 H new ATOM 0 HG12 VAL C 62 14.951 -10.194 -7.465 1.00 0.00 H new ATOM 0 HG13 VAL C 62 14.366 -9.537 -9.012 1.00 0.00 H new ATOM 0 HG21 VAL C 62 16.955 -7.992 -9.643 1.00 0.00 H new ATOM 0 HG22 VAL C 62 15.340 -7.264 -9.818 1.00 0.00 H new ATOM 0 HG23 VAL C 62 16.566 -6.475 -8.797 1.00 0.00 H new ATOM 925 N GLY C 63 13.109 -5.776 -8.072 1.00 0.00 N ATOM 926 CA GLY C 63 12.034 -5.249 -8.888 1.00 0.00 C ATOM 927 C GLY C 63 10.714 -5.152 -8.143 1.00 0.00 C ATOM 928 O GLY C 63 9.658 -5.028 -8.764 1.00 0.00 O ATOM 0 H GLY C 63 13.566 -5.089 -7.472 1.00 0.00 H new ATOM 0 HA2 GLY C 63 12.313 -4.260 -9.251 1.00 0.00 H new ATOM 0 HA3 GLY C 63 11.905 -5.885 -9.763 1.00 0.00 H new ATOM 932 N GLY C 64 10.764 -5.212 -6.816 1.00 0.00 N ATOM 933 CA GLY C 64 9.559 -5.109 -6.030 1.00 0.00 C ATOM 934 C GLY C 64 9.404 -3.747 -5.396 1.00 0.00 C ATOM 935 O GLY C 64 10.019 -2.772 -5.835 1.00 0.00 O ATOM 0 H GLY C 64 11.621 -5.330 -6.275 1.00 0.00 H new ATOM 0 HA2 GLY C 64 8.696 -5.313 -6.664 1.00 0.00 H new ATOM 0 HA3 GLY C 64 9.570 -5.871 -5.251 1.00 0.00 H new ATOM 939 N TYR C 65 8.599 -3.679 -4.352 1.00 0.00 N ATOM 940 CA TYR C 65 8.330 -2.419 -3.683 1.00 0.00 C ATOM 941 C TYR C 65 8.786 -2.453 -2.231 1.00 0.00 C ATOM 942 O TYR C 65 8.357 -3.304 -1.449 1.00 0.00 O ATOM 943 CB TYR C 65 6.840 -2.075 -3.755 1.00 0.00 C ATOM 944 CG TYR C 65 6.380 -1.645 -5.131 1.00 0.00 C ATOM 945 CD1 TYR C 65 6.605 -0.350 -5.583 1.00 0.00 C ATOM 946 CD2 TYR C 65 5.716 -2.528 -5.973 1.00 0.00 C ATOM 947 CE1 TYR C 65 6.183 0.053 -6.836 1.00 0.00 C ATOM 948 CE2 TYR C 65 5.292 -2.132 -7.228 1.00 0.00 C ATOM 949 CZ TYR C 65 5.527 -0.842 -7.654 1.00 0.00 C ATOM 950 OH TYR C 65 5.102 -0.445 -8.904 1.00 0.00 O ATOM 0 H TYR C 65 8.119 -4.483 -3.948 1.00 0.00 H new ATOM 0 HA TYR C 65 8.897 -1.646 -4.201 1.00 0.00 H new ATOM 0 HB2 TYR C 65 6.260 -2.944 -3.443 1.00 0.00 H new ATOM 0 HB3 TYR C 65 6.626 -1.277 -3.044 1.00 0.00 H new ATOM 0 HD1 TYR C 65 7.118 0.353 -4.944 1.00 0.00 H new ATOM 0 HD2 TYR C 65 5.528 -3.539 -5.642 1.00 0.00 H new ATOM 0 HE1 TYR C 65 6.366 1.063 -7.172 1.00 0.00 H new ATOM 0 HE2 TYR C 65 4.779 -2.831 -7.872 1.00 0.00 H new ATOM 0 HH TYR C 65 4.659 -1.195 -9.352 1.00 0.00 H new ATOM 960 N LEU C 66 9.677 -1.537 -1.893 1.00 0.00 N ATOM 961 CA LEU C 66 10.077 -1.317 -0.515 1.00 0.00 C ATOM 962 C LEU C 66 9.252 -0.160 0.028 1.00 0.00 C ATOM 963 O LEU C 66 8.734 0.641 -0.746 1.00 0.00 O ATOM 964 CB LEU C 66 11.572 -0.977 -0.440 1.00 0.00 C ATOM 965 CG LEU C 66 12.159 -0.864 0.971 1.00 0.00 C ATOM 966 CD1 LEU C 66 12.397 -2.242 1.567 1.00 0.00 C ATOM 967 CD2 LEU C 66 13.449 -0.057 0.955 1.00 0.00 C ATOM 0 H LEU C 66 10.142 -0.926 -2.565 1.00 0.00 H new ATOM 0 HA LEU C 66 9.908 -2.218 0.075 1.00 0.00 H new ATOM 0 HB2 LEU C 66 12.127 -1.741 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU C 66 11.737 -0.033 -0.959 1.00 0.00 H new ATOM 0 HG LEU C 66 11.437 -0.341 1.598 1.00 0.00 H new ATOM 0 HD11 LEU C 66 12.814 -2.138 2.569 1.00 0.00 H new ATOM 0 HD12 LEU C 66 11.452 -2.783 1.621 1.00 0.00 H new ATOM 0 HD13 LEU C 66 13.096 -2.794 0.939 1.00 0.00 H new ATOM 0 HD21 LEU C 66 13.848 0.011 1.967 1.00 0.00 H new ATOM 0 HD22 LEU C 66 14.177 -0.548 0.309 1.00 0.00 H new ATOM 0 HD23 LEU C 66 13.247 0.945 0.577 1.00 0.00 H new ATOM 979 N PHE C 67 9.106 -0.067 1.334 1.00 0.00 N ATOM 980 CA PHE C 67 8.371 1.043 1.916 1.00 0.00 C ATOM 981 C PHE C 67 8.926 1.397 3.285 1.00 0.00 C ATOM 982 O PHE C 67 9.509 0.549 3.954 1.00 0.00 O ATOM 983 CB PHE C 67 6.875 0.718 2.000 1.00 0.00 C ATOM 984 CG PHE C 67 6.539 -0.492 2.827 1.00 0.00 C ATOM 985 CD1 PHE C 67 6.384 -0.391 4.202 1.00 0.00 C ATOM 986 CD2 PHE C 67 6.363 -1.727 2.227 1.00 0.00 C ATOM 987 CE1 PHE C 67 6.066 -1.499 4.959 1.00 0.00 C ATOM 988 CE2 PHE C 67 6.046 -2.838 2.980 1.00 0.00 C ATOM 989 CZ PHE C 67 5.896 -2.724 4.348 1.00 0.00 C ATOM 0 H PHE C 67 9.480 -0.736 2.007 1.00 0.00 H new ATOM 0 HA PHE C 67 8.493 1.910 1.267 1.00 0.00 H new ATOM 0 HB2 PHE C 67 6.353 1.580 2.414 1.00 0.00 H new ATOM 0 HB3 PHE C 67 6.493 0.568 0.990 1.00 0.00 H new ATOM 0 HD1 PHE C 67 6.514 0.566 4.685 1.00 0.00 H new ATOM 0 HD2 PHE C 67 6.475 -1.822 1.157 1.00 0.00 H new ATOM 0 HE1 PHE C 67 5.950 -1.408 6.029 1.00 0.00 H new ATOM 0 HE2 PHE C 67 5.915 -3.797 2.500 1.00 0.00 H new ATOM 0 HZ PHE C 67 5.646 -3.593 4.939 1.00 0.00 H new ATOM 999 N ARG C 68 8.749 2.650 3.690 1.00 0.00 N ATOM 1000 CA ARG C 68 9.247 3.112 4.977 1.00 0.00 C ATOM 1001 C ARG C 68 8.347 4.211 5.527 1.00 0.00 C ATOM 1002 O ARG C 68 7.839 5.040 4.774 1.00 0.00 O ATOM 1003 CB ARG C 68 10.675 3.641 4.835 1.00 0.00 C ATOM 1004 CG ARG C 68 11.300 4.070 6.152 1.00 0.00 C ATOM 1005 CD ARG C 68 12.575 4.858 5.923 1.00 0.00 C ATOM 1006 NE ARG C 68 12.309 6.094 5.189 1.00 0.00 N ATOM 1007 CZ ARG C 68 13.252 6.885 4.690 1.00 0.00 C ATOM 1008 NH1 ARG C 68 14.532 6.565 4.819 1.00 0.00 N ATOM 1009 NH2 ARG C 68 12.908 7.994 4.050 1.00 0.00 N ATOM 0 H ARG C 68 8.264 3.363 3.144 1.00 0.00 H new ATOM 0 HA ARG C 68 9.246 2.270 5.669 1.00 0.00 H new ATOM 0 HB2 ARG C 68 11.296 2.868 4.383 1.00 0.00 H new ATOM 0 HB3 ARG C 68 10.673 4.489 4.150 1.00 0.00 H new ATOM 0 HG2 ARG C 68 10.590 4.677 6.714 1.00 0.00 H new ATOM 0 HG3 ARG C 68 11.517 3.190 6.758 1.00 0.00 H new ATOM 0 HD2 ARG C 68 13.037 5.094 6.882 1.00 0.00 H new ATOM 0 HD3 ARG C 68 13.287 4.248 5.367 1.00 0.00 H new ATOM 0 HE ARG C 68 11.336 6.367 5.051 1.00 0.00 H new ATOM 0 HH11 ARG C 68 14.797 5.707 5.304 1.00 0.00 H new ATOM 0 HH12 ARG C 68 15.252 7.176 4.434 1.00 0.00 H new ATOM 0 HH21 ARG C 68 11.923 8.236 3.943 1.00 0.00 H new ATOM 0 HH22 ARG C 68 13.628 8.605 3.665 1.00 0.00 H new ATOM 1023 N SER C 69 8.150 4.213 6.834 1.00 0.00 N ATOM 1024 CA SER C 69 7.315 5.215 7.470 1.00 0.00 C ATOM 1025 C SER C 69 8.130 6.103 8.402 1.00 0.00 C ATOM 1026 O SER C 69 9.352 5.960 8.497 1.00 0.00 O ATOM 1027 CB SER C 69 6.181 4.535 8.233 1.00 0.00 C ATOM 1028 OG SER C 69 6.689 3.514 9.072 1.00 0.00 O ATOM 0 H SER C 69 8.557 3.532 7.475 1.00 0.00 H new ATOM 0 HA SER C 69 6.891 5.853 6.694 1.00 0.00 H new ATOM 0 HB2 SER C 69 5.644 5.272 8.831 1.00 0.00 H new ATOM 0 HB3 SER C 69 5.464 4.112 7.529 1.00 0.00 H new ATOM 0 HG SER C 69 6.063 3.354 9.809 1.00 0.00 H new ATOM 1034 N GLN C 70 7.455 7.001 9.104 1.00 0.00 N ATOM 1035 CA GLN C 70 8.133 7.939 9.992 1.00 0.00 C ATOM 1036 C GLN C 70 8.706 7.195 11.192 1.00 0.00 C ATOM 1037 O GLN C 70 9.798 7.504 11.669 1.00 0.00 O ATOM 1038 CB GLN C 70 7.179 9.041 10.476 1.00 0.00 C ATOM 1039 CG GLN C 70 6.638 9.962 9.383 1.00 0.00 C ATOM 1040 CD GLN C 70 5.524 9.337 8.562 1.00 0.00 C ATOM 1041 OE1 GLN C 70 4.357 9.378 8.954 1.00 0.00 O ATOM 1042 NE2 GLN C 70 5.861 8.804 7.397 1.00 0.00 N ATOM 0 H GLN C 70 6.440 7.102 9.078 1.00 0.00 H new ATOM 0 HA GLN C 70 8.940 8.409 9.430 1.00 0.00 H new ATOM 0 HB2 GLN C 70 6.336 8.572 10.983 1.00 0.00 H new ATOM 0 HB3 GLN C 70 7.698 9.649 11.217 1.00 0.00 H new ATOM 0 HG2 GLN C 70 6.270 10.880 9.841 1.00 0.00 H new ATOM 0 HG3 GLN C 70 7.455 10.243 8.718 1.00 0.00 H new ATOM 0 HE21 GLN C 70 6.839 8.789 7.107 1.00 0.00 H new ATOM 0 HE22 GLN C 70 5.143 8.409 6.790 1.00 0.00 H new ATOM 1051 N TYR C 71 7.973 6.179 11.640 1.00 0.00 N ATOM 1052 CA TYR C 71 8.354 5.396 12.813 1.00 0.00 C ATOM 1053 C TYR C 71 9.554 4.506 12.514 1.00 0.00 C ATOM 1054 O TYR C 71 10.070 3.822 13.397 1.00 0.00 O ATOM 1055 CB TYR C 71 7.180 4.530 13.274 1.00 0.00 C ATOM 1056 CG TYR C 71 5.920 5.312 13.562 1.00 0.00 C ATOM 1057 CD1 TYR C 71 5.678 5.839 14.825 1.00 0.00 C ATOM 1058 CD2 TYR C 71 4.968 5.519 12.572 1.00 0.00 C ATOM 1059 CE1 TYR C 71 4.524 6.548 15.093 1.00 0.00 C ATOM 1060 CE2 TYR C 71 3.812 6.230 12.832 1.00 0.00 C ATOM 1061 CZ TYR C 71 3.595 6.741 14.094 1.00 0.00 C ATOM 1062 OH TYR C 71 2.443 7.446 14.359 1.00 0.00 O ATOM 0 H TYR C 71 7.103 5.876 11.203 1.00 0.00 H new ATOM 0 HA TYR C 71 8.627 6.093 13.605 1.00 0.00 H new ATOM 0 HB2 TYR C 71 6.967 3.786 12.507 1.00 0.00 H new ATOM 0 HB3 TYR C 71 7.472 3.987 14.173 1.00 0.00 H new ATOM 0 HD1 TYR C 71 6.405 5.691 15.610 1.00 0.00 H new ATOM 0 HD2 TYR C 71 5.134 5.118 11.583 1.00 0.00 H new ATOM 0 HE1 TYR C 71 4.350 6.949 16.081 1.00 0.00 H new ATOM 0 HE2 TYR C 71 3.082 6.385 12.051 1.00 0.00 H new ATOM 0 HH TYR C 71 1.894 7.493 13.548 1.00 0.00 H new ATOM 1072 N GLY C 72 9.981 4.509 11.260 1.00 0.00 N ATOM 1073 CA GLY C 72 11.117 3.707 10.861 1.00 0.00 C ATOM 1074 C GLY C 72 10.712 2.297 10.505 1.00 0.00 C ATOM 1075 O GLY C 72 11.535 1.383 10.505 1.00 0.00 O ATOM 0 H GLY C 72 9.558 5.055 10.509 1.00 0.00 H new ATOM 0 HA2 GLY C 72 11.607 4.171 10.005 1.00 0.00 H new ATOM 0 HA3 GLY C 72 11.846 3.682 11.671 1.00 0.00 H new ATOM 1079 N GLU C 73 9.432 2.115 10.217 1.00 0.00 N ATOM 1080 CA GLU C 73 8.927 0.820 9.807 1.00 0.00 C ATOM 1081 C GLU C 73 9.096 0.651 8.314 1.00 0.00 C ATOM 1082 O GLU C 73 8.427 1.314 7.520 1.00 0.00 O ATOM 1083 CB GLU C 73 7.463 0.661 10.202 1.00 0.00 C ATOM 1084 CG GLU C 73 7.271 0.678 11.701 1.00 0.00 C ATOM 1085 CD GLU C 73 7.831 -0.557 12.371 1.00 0.00 C ATOM 1086 OE1 GLU C 73 8.921 -0.467 12.973 1.00 0.00 O ATOM 1087 OE2 GLU C 73 7.191 -1.624 12.291 1.00 0.00 O ATOM 0 H GLU C 73 8.726 2.850 10.261 1.00 0.00 H new ATOM 0 HA GLU C 73 9.499 0.045 10.317 1.00 0.00 H new ATOM 0 HB2 GLU C 73 6.878 1.464 9.753 1.00 0.00 H new ATOM 0 HB3 GLU C 73 7.079 -0.276 9.799 1.00 0.00 H new ATOM 0 HG2 GLU C 73 7.754 1.563 12.116 1.00 0.00 H new ATOM 0 HG3 GLU C 73 6.208 0.759 11.927 1.00 0.00 H new ATOM 1094 N LEU C 74 10.016 -0.215 7.953 1.00 0.00 N ATOM 1095 CA LEU C 74 10.320 -0.471 6.554 1.00 0.00 C ATOM 1096 C LEU C 74 10.325 -1.964 6.266 1.00 0.00 C ATOM 1097 O LEU C 74 10.805 -2.760 7.074 1.00 0.00 O ATOM 1098 CB LEU C 74 11.670 0.145 6.141 1.00 0.00 C ATOM 1099 CG LEU C 74 12.925 -0.471 6.773 1.00 0.00 C ATOM 1100 CD1 LEU C 74 14.156 -0.121 5.950 1.00 0.00 C ATOM 1101 CD2 LEU C 74 13.105 0.016 8.200 1.00 0.00 C ATOM 0 H LEU C 74 10.573 -0.760 8.611 1.00 0.00 H new ATOM 0 HA LEU C 74 9.536 0.004 5.964 1.00 0.00 H new ATOM 0 HB2 LEU C 74 11.762 0.070 5.057 1.00 0.00 H new ATOM 0 HB3 LEU C 74 11.650 1.207 6.387 1.00 0.00 H new ATOM 0 HG LEU C 74 12.800 -1.554 6.788 1.00 0.00 H new ATOM 0 HD11 LEU C 74 15.039 -0.564 6.410 1.00 0.00 H new ATOM 0 HD12 LEU C 74 14.040 -0.510 4.938 1.00 0.00 H new ATOM 0 HD13 LEU C 74 14.272 0.962 5.912 1.00 0.00 H new ATOM 0 HD21 LEU C 74 14.001 -0.434 8.628 1.00 0.00 H new ATOM 0 HD22 LEU C 74 13.207 1.101 8.204 1.00 0.00 H new ATOM 0 HD23 LEU C 74 12.237 -0.269 8.794 1.00 0.00 H new ATOM 1113 N LEU C 75 9.774 -2.325 5.116 1.00 0.00 N ATOM 1114 CA LEU C 75 9.720 -3.710 4.657 1.00 0.00 C ATOM 1115 C LEU C 75 9.548 -3.730 3.148 1.00 0.00 C ATOM 1116 O LEU C 75 9.424 -2.680 2.520 1.00 0.00 O ATOM 1117 CB LEU C 75 8.548 -4.467 5.301 1.00 0.00 C ATOM 1118 CG LEU C 75 8.713 -4.850 6.772 1.00 0.00 C ATOM 1119 CD1 LEU C 75 7.410 -5.408 7.322 1.00 0.00 C ATOM 1120 CD2 LEU C 75 9.835 -5.864 6.939 1.00 0.00 C ATOM 0 H LEU C 75 9.348 -1.662 4.469 1.00 0.00 H new ATOM 0 HA LEU C 75 10.650 -4.201 4.945 1.00 0.00 H new ATOM 0 HB2 LEU C 75 7.652 -3.854 5.206 1.00 0.00 H new ATOM 0 HB3 LEU C 75 8.373 -5.378 4.728 1.00 0.00 H new ATOM 0 HG LEU C 75 8.974 -3.953 7.334 1.00 0.00 H new ATOM 0 HD11 LEU C 75 7.543 -5.676 8.370 1.00 0.00 H new ATOM 0 HD12 LEU C 75 6.627 -4.655 7.237 1.00 0.00 H new ATOM 0 HD13 LEU C 75 7.125 -6.294 6.754 1.00 0.00 H new ATOM 0 HD21 LEU C 75 9.937 -6.124 7.993 1.00 0.00 H new ATOM 0 HD22 LEU C 75 9.603 -6.761 6.365 1.00 0.00 H new ATOM 0 HD23 LEU C 75 10.770 -5.435 6.579 1.00 0.00 H new ATOM 1132 N TYR C 76 9.539 -4.920 2.574 1.00 0.00 N ATOM 1133 CA TYR C 76 9.289 -5.080 1.152 1.00 0.00 C ATOM 1134 C TYR C 76 8.039 -5.926 0.964 1.00 0.00 C ATOM 1135 O TYR C 76 7.792 -6.846 1.747 1.00 0.00 O ATOM 1136 CB TYR C 76 10.485 -5.747 0.459 1.00 0.00 C ATOM 1137 CG TYR C 76 10.644 -7.211 0.811 1.00 0.00 C ATOM 1138 CD1 TYR C 76 10.084 -8.198 0.008 1.00 0.00 C ATOM 1139 CD2 TYR C 76 11.330 -7.606 1.952 1.00 0.00 C ATOM 1140 CE1 TYR C 76 10.202 -9.532 0.331 1.00 0.00 C ATOM 1141 CE2 TYR C 76 11.457 -8.940 2.279 1.00 0.00 C ATOM 1142 CZ TYR C 76 10.889 -9.900 1.466 1.00 0.00 C ATOM 1143 OH TYR C 76 11.006 -11.231 1.794 1.00 0.00 O ATOM 0 H TYR C 76 9.703 -5.794 3.074 1.00 0.00 H new ATOM 0 HA TYR C 76 9.145 -4.098 0.702 1.00 0.00 H new ATOM 0 HB2 TYR C 76 10.370 -5.651 -0.621 1.00 0.00 H new ATOM 0 HB3 TYR C 76 11.396 -5.214 0.731 1.00 0.00 H new ATOM 0 HD1 TYR C 76 9.547 -7.914 -0.885 1.00 0.00 H new ATOM 0 HD2 TYR C 76 11.771 -6.857 2.593 1.00 0.00 H new ATOM 0 HE1 TYR C 76 9.758 -10.285 -0.303 1.00 0.00 H new ATOM 0 HE2 TYR C 76 11.998 -9.232 3.167 1.00 0.00 H new ATOM 0 HH TYR C 76 11.521 -11.320 2.623 1.00 0.00 H new ATOM 1153 N MET C 77 7.253 -5.621 -0.052 1.00 0.00 N ATOM 1154 CA MET C 77 6.036 -6.375 -0.324 1.00 0.00 C ATOM 1155 C MET C 77 5.762 -6.434 -1.816 1.00 0.00 C ATOM 1156 O MET C 77 6.090 -5.503 -2.554 1.00 0.00 O ATOM 1157 CB MET C 77 4.834 -5.744 0.392 1.00 0.00 C ATOM 1158 CG MET C 77 4.785 -5.989 1.897 1.00 0.00 C ATOM 1159 SD MET C 77 3.979 -7.543 2.353 1.00 0.00 S ATOM 1160 CE MET C 77 5.146 -8.764 1.758 1.00 0.00 C ATOM 0 H MET C 77 7.432 -4.857 -0.704 1.00 0.00 H new ATOM 0 HA MET C 77 6.182 -7.388 0.051 1.00 0.00 H new ATOM 0 HB2 MET C 77 4.846 -4.669 0.213 1.00 0.00 H new ATOM 0 HB3 MET C 77 3.918 -6.131 -0.055 1.00 0.00 H new ATOM 0 HG2 MET C 77 5.802 -5.988 2.290 1.00 0.00 H new ATOM 0 HG3 MET C 77 4.258 -5.163 2.374 1.00 0.00 H new ATOM 0 HE1 MET C 77 4.926 -9.730 2.213 1.00 0.00 H new ATOM 0 HE2 MET C 77 5.065 -8.847 0.674 1.00 0.00 H new ATOM 0 HE3 MET C 77 6.158 -8.460 2.024 1.00 0.00 H new ATOM 1170 N SER C 78 5.201 -7.549 -2.261 1.00 0.00 N ATOM 1171 CA SER C 78 4.722 -7.667 -3.626 1.00 0.00 C ATOM 1172 C SER C 78 3.442 -6.855 -3.777 1.00 0.00 C ATOM 1173 O SER C 78 2.650 -6.750 -2.838 1.00 0.00 O ATOM 1174 CB SER C 78 4.477 -9.138 -3.972 1.00 0.00 C ATOM 1175 OG SER C 78 3.651 -9.759 -3.003 1.00 0.00 O ATOM 0 H SER C 78 5.067 -8.386 -1.693 1.00 0.00 H new ATOM 0 HA SER C 78 5.472 -7.279 -4.315 1.00 0.00 H new ATOM 0 HB2 SER C 78 4.009 -9.211 -4.954 1.00 0.00 H new ATOM 0 HB3 SER C 78 5.430 -9.664 -4.033 1.00 0.00 H new ATOM 0 HG SER C 78 3.508 -10.697 -3.248 1.00 0.00 H new ATOM 1181 N LYS C 79 3.265 -6.269 -4.962 1.00 0.00 N ATOM 1182 CA LYS C 79 2.242 -5.247 -5.199 1.00 0.00 C ATOM 1183 C LYS C 79 0.845 -5.654 -4.741 1.00 0.00 C ATOM 1184 O LYS C 79 0.069 -4.795 -4.336 1.00 0.00 O ATOM 1185 CB LYS C 79 2.199 -4.860 -6.672 1.00 0.00 C ATOM 1186 CG LYS C 79 1.951 -6.033 -7.611 1.00 0.00 C ATOM 1187 CD LYS C 79 2.076 -5.626 -9.071 1.00 0.00 C ATOM 1188 CE LYS C 79 3.498 -5.212 -9.416 1.00 0.00 C ATOM 1189 NZ LYS C 79 3.646 -4.872 -10.853 1.00 0.00 N ATOM 0 H LYS C 79 3.826 -6.489 -5.785 1.00 0.00 H new ATOM 0 HA LYS C 79 2.538 -4.392 -4.591 1.00 0.00 H new ATOM 0 HB2 LYS C 79 1.415 -4.117 -6.820 1.00 0.00 H new ATOM 0 HB3 LYS C 79 3.143 -4.385 -6.941 1.00 0.00 H new ATOM 0 HG2 LYS C 79 2.663 -6.829 -7.394 1.00 0.00 H new ATOM 0 HG3 LYS C 79 0.955 -6.438 -7.431 1.00 0.00 H new ATOM 0 HD2 LYS C 79 1.773 -6.457 -9.708 1.00 0.00 H new ATOM 0 HD3 LYS C 79 1.395 -4.800 -9.279 1.00 0.00 H new ATOM 0 HE2 LYS C 79 3.782 -4.352 -8.809 1.00 0.00 H new ATOM 0 HE3 LYS C 79 4.183 -6.022 -9.163 1.00 0.00 H new ATOM 0 HZ1 LYS C 79 4.630 -4.595 -11.045 1.00 0.00 H new ATOM 0 HZ2 LYS C 79 3.400 -5.700 -11.433 1.00 0.00 H new ATOM 0 HZ3 LYS C 79 3.012 -4.082 -11.090 1.00 0.00 H new ATOM 1203 N THR C 80 0.526 -6.941 -4.807 1.00 0.00 N ATOM 1204 CA THR C 80 -0.785 -7.423 -4.396 1.00 0.00 C ATOM 1205 C THR C 80 -1.059 -7.098 -2.928 1.00 0.00 C ATOM 1206 O THR C 80 -2.035 -6.415 -2.604 1.00 0.00 O ATOM 1207 CB THR C 80 -0.899 -8.939 -4.626 1.00 0.00 C ATOM 1208 OG1 THR C 80 0.369 -9.563 -4.372 1.00 0.00 O ATOM 1209 CG2 THR C 80 -1.349 -9.244 -6.047 1.00 0.00 C ATOM 0 H THR C 80 1.158 -7.669 -5.141 1.00 0.00 H new ATOM 0 HA THR C 80 -1.531 -6.913 -5.006 1.00 0.00 H new ATOM 0 HB THR C 80 -1.647 -9.336 -3.939 1.00 0.00 H new ATOM 0 HG1 THR C 80 0.873 -9.633 -5.210 1.00 0.00 H new ATOM 0 HG21 THR C 80 -1.421 -10.323 -6.182 1.00 0.00 H new ATOM 0 HG22 THR C 80 -2.324 -8.790 -6.225 1.00 0.00 H new ATOM 0 HG23 THR C 80 -0.625 -8.838 -6.753 1.00 0.00 H new ATOM 1217 N ALA C 81 -0.182 -7.567 -2.051 1.00 0.00 N ATOM 1218 CA ALA C 81 -0.307 -7.294 -0.626 1.00 0.00 C ATOM 1219 C ALA C 81 0.036 -5.845 -0.335 1.00 0.00 C ATOM 1220 O ALA C 81 -0.610 -5.193 0.488 1.00 0.00 O ATOM 1221 CB ALA C 81 0.599 -8.213 0.169 1.00 0.00 C ATOM 0 H ALA C 81 0.625 -8.139 -2.302 1.00 0.00 H new ATOM 0 HA ALA C 81 -1.339 -7.477 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA C 81 0.494 -7.997 1.232 1.00 0.00 H new ATOM 0 HB2 ALA C 81 0.321 -9.250 -0.019 1.00 0.00 H new ATOM 0 HB3 ALA C 81 1.634 -8.054 -0.133 1.00 0.00 H new ATOM 1227 N PHE C 82 1.050 -5.345 -1.036 1.00 0.00 N ATOM 1228 CA PHE C 82 1.493 -3.969 -0.885 1.00 0.00 C ATOM 1229 C PHE C 82 0.329 -3.011 -1.096 1.00 0.00 C ATOM 1230 O PHE C 82 0.143 -2.070 -0.333 1.00 0.00 O ATOM 1231 CB PHE C 82 2.614 -3.666 -1.881 1.00 0.00 C ATOM 1232 CG PHE C 82 3.166 -2.278 -1.767 1.00 0.00 C ATOM 1233 CD1 PHE C 82 2.974 -1.356 -2.783 1.00 0.00 C ATOM 1234 CD2 PHE C 82 3.874 -1.895 -0.643 1.00 0.00 C ATOM 1235 CE1 PHE C 82 3.479 -0.075 -2.676 1.00 0.00 C ATOM 1236 CE2 PHE C 82 4.379 -0.617 -0.530 1.00 0.00 C ATOM 1237 CZ PHE C 82 4.183 0.293 -1.546 1.00 0.00 C ATOM 0 H PHE C 82 1.583 -5.882 -1.720 1.00 0.00 H new ATOM 0 HA PHE C 82 1.874 -3.834 0.127 1.00 0.00 H new ATOM 0 HB2 PHE C 82 3.423 -4.382 -1.732 1.00 0.00 H new ATOM 0 HB3 PHE C 82 2.238 -3.815 -2.893 1.00 0.00 H new ATOM 0 HD1 PHE C 82 2.424 -1.642 -3.667 1.00 0.00 H new ATOM 0 HD2 PHE C 82 4.033 -2.605 0.155 1.00 0.00 H new ATOM 0 HE1 PHE C 82 3.324 0.637 -3.473 1.00 0.00 H new ATOM 0 HE2 PHE C 82 4.928 -0.329 0.354 1.00 0.00 H new ATOM 0 HZ PHE C 82 4.580 1.294 -1.459 1.00 0.00 H new ATOM 1247 N GLU C 83 -0.459 -3.270 -2.125 1.00 0.00 N ATOM 1248 CA GLU C 83 -1.642 -2.471 -2.408 1.00 0.00 C ATOM 1249 C GLU C 83 -2.604 -2.433 -1.217 1.00 0.00 C ATOM 1250 O GLU C 83 -2.976 -1.359 -0.740 1.00 0.00 O ATOM 1251 CB GLU C 83 -2.353 -3.024 -3.648 1.00 0.00 C ATOM 1252 CG GLU C 83 -3.692 -2.370 -3.941 1.00 0.00 C ATOM 1253 CD GLU C 83 -4.455 -3.075 -5.038 1.00 0.00 C ATOM 1254 OE1 GLU C 83 -5.400 -3.827 -4.716 1.00 0.00 O ATOM 1255 OE2 GLU C 83 -4.114 -2.888 -6.225 1.00 0.00 O ATOM 0 H GLU C 83 -0.300 -4.033 -2.784 1.00 0.00 H new ATOM 0 HA GLU C 83 -1.319 -1.447 -2.597 1.00 0.00 H new ATOM 0 HB2 GLU C 83 -1.702 -2.897 -4.513 1.00 0.00 H new ATOM 0 HB3 GLU C 83 -2.505 -4.095 -3.518 1.00 0.00 H new ATOM 0 HG2 GLU C 83 -4.294 -2.361 -3.033 1.00 0.00 H new ATOM 0 HG3 GLU C 83 -3.530 -1.331 -4.226 1.00 0.00 H new ATOM 1262 N ALA C 84 -2.942 -3.594 -0.695 1.00 0.00 N ATOM 1263 CA ALA C 84 -4.050 -3.713 0.245 1.00 0.00 C ATOM 1264 C ALA C 84 -3.623 -3.285 1.631 1.00 0.00 C ATOM 1265 O ALA C 84 -4.444 -2.847 2.439 1.00 0.00 O ATOM 1266 CB ALA C 84 -4.575 -5.140 0.265 1.00 0.00 C ATOM 0 H ALA C 84 -2.468 -4.473 -0.903 1.00 0.00 H new ATOM 0 HA ALA C 84 -4.853 -3.052 -0.083 1.00 0.00 H new ATOM 0 HB1 ALA C 84 -5.402 -5.214 0.971 1.00 0.00 H new ATOM 0 HB2 ALA C 84 -4.923 -5.414 -0.731 1.00 0.00 H new ATOM 0 HB3 ALA C 84 -3.777 -5.817 0.569 1.00 0.00 H new ATOM 1272 N ASN C 85 -2.339 -3.409 1.911 1.00 0.00 N ATOM 1273 CA ASN C 85 -1.826 -3.014 3.200 1.00 0.00 C ATOM 1274 C ASN C 85 -1.324 -1.579 3.171 1.00 0.00 C ATOM 1275 O ASN C 85 -1.426 -0.880 4.169 1.00 0.00 O ATOM 1276 CB ASN C 85 -0.712 -3.954 3.666 1.00 0.00 C ATOM 1277 CG ASN C 85 -1.178 -5.385 3.884 1.00 0.00 C ATOM 1278 OD1 ASN C 85 -2.435 -5.561 4.267 1.00 0.00 O flip ATOM 1279 ND2 ASN C 85 -0.405 -6.328 3.722 1.00 0.00 N flip ATOM 0 H ASN C 85 -1.640 -3.778 1.266 1.00 0.00 H new ATOM 0 HA ASN C 85 -2.649 -3.079 3.912 1.00 0.00 H new ATOM 0 HB2 ASN C 85 0.089 -3.950 2.927 1.00 0.00 H new ATOM 0 HB3 ASN C 85 -0.290 -3.572 4.596 1.00 0.00 H new ATOM 0 HD21 ASN C 85 0.556 -6.155 3.427 1.00 0.00 H new ATOM 0 HD22 ASN C 85 -0.725 -7.283 3.883 1.00 0.00 H new ATOM 1286 N TYR C 86 -0.776 -1.132 2.034 1.00 0.00 N ATOM 1287 CA TYR C 86 -0.202 0.226 1.968 1.00 0.00 C ATOM 1288 C TYR C 86 -0.313 0.870 0.583 1.00 0.00 C ATOM 1289 O TYR C 86 0.702 1.122 -0.052 1.00 0.00 O ATOM 1290 CB TYR C 86 1.279 0.237 2.369 1.00 0.00 C ATOM 1291 CG TYR C 86 1.778 -1.066 2.950 1.00 0.00 C ATOM 1292 CD1 TYR C 86 2.047 -1.193 4.306 1.00 0.00 C ATOM 1293 CD2 TYR C 86 1.958 -2.172 2.138 1.00 0.00 C ATOM 1294 CE1 TYR C 86 2.485 -2.393 4.833 1.00 0.00 C ATOM 1295 CE2 TYR C 86 2.391 -3.370 2.651 1.00 0.00 C ATOM 1296 CZ TYR C 86 2.653 -3.481 4.001 1.00 0.00 C ATOM 1297 OH TYR C 86 3.090 -4.679 4.518 1.00 0.00 O ATOM 0 H TYR C 86 -0.716 -1.669 1.169 1.00 0.00 H new ATOM 0 HA TYR C 86 -0.796 0.807 2.674 1.00 0.00 H new ATOM 0 HB2 TYR C 86 1.878 0.483 1.492 1.00 0.00 H new ATOM 0 HB3 TYR C 86 1.440 1.031 3.098 1.00 0.00 H new ATOM 0 HD1 TYR C 86 1.912 -0.342 4.958 1.00 0.00 H new ATOM 0 HD2 TYR C 86 1.754 -2.091 1.080 1.00 0.00 H new ATOM 0 HE1 TYR C 86 2.694 -2.479 5.889 1.00 0.00 H new ATOM 0 HE2 TYR C 86 2.526 -4.222 2.001 1.00 0.00 H new ATOM 0 HH TYR C 86 2.726 -5.417 3.986 1.00 0.00 H new ATOM 1307 N THR C 87 -1.543 1.155 0.159 1.00 0.00 N ATOM 1308 CA THR C 87 -1.857 1.962 -1.036 1.00 0.00 C ATOM 1309 C THR C 87 -3.352 2.268 -0.996 1.00 0.00 C ATOM 1310 O THR C 87 -3.802 3.354 -1.367 1.00 0.00 O ATOM 1311 CB THR C 87 -1.585 1.319 -2.442 1.00 0.00 C ATOM 1312 OG1 THR C 87 -2.500 0.257 -2.701 1.00 0.00 O ATOM 1313 CG2 THR C 87 -0.168 0.804 -2.633 1.00 0.00 C ATOM 0 H THR C 87 -2.377 0.825 0.645 1.00 0.00 H new ATOM 0 HA THR C 87 -1.185 2.818 -0.968 1.00 0.00 H new ATOM 0 HB THR C 87 -1.727 2.133 -3.153 1.00 0.00 H new ATOM 0 HG1 THR C 87 -2.910 -0.034 -1.860 1.00 0.00 H new ATOM 0 HG21 THR C 87 -0.068 0.376 -3.631 1.00 0.00 H new ATOM 0 HG22 THR C 87 0.537 1.627 -2.519 1.00 0.00 H new ATOM 0 HG23 THR C 87 0.044 0.038 -1.887 1.00 0.00 H new