USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=27 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 111:sc= 0.992 USER MOD Set 1.2: C 80 THR OG1 : rot 180:sc= 0.888 USER MOD Set 2.1: C 51 SER OG : rot -170:sc= 1.2 USER MOD Set 2.2: C 54 THR OG1 : rot 151:sc= 1.31 USER MOD Single : C 13 TYR OH : rot 180:sc= 0 USER MOD Single : C 14 LYS NZ :NH3+ 175:sc=0.000709 (180deg=-0.034) USER MOD Single : C 20 TYR OH : rot 180:sc= -0.157 USER MOD Single : C 22 SER OG : rot 180:sc= 0.00618 USER MOD Single : C 27 LYS NZ :NH3+ 165:sc= -0.0411 (180deg=-0.26) USER MOD Single : C 30 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0962) USER MOD Single : C 31 TYR OH : rot 180:sc= 0 USER MOD Single : C 33 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : C 36 SER OG : rot 100:sc= 1.29 USER MOD Single : C 38 ASN :FLIP amide:sc= 1.01 F(o=0.23,f=1) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 GLN :FLIP amide:sc= -0.0257 F(o=-2.7!,f=-0.026) USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 50 MET CE :methyl 162:sc= -0.103 (180deg=-0.56) USER MOD Single : C 53 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.057) USER MOD Single : C 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 65 TYR OH : rot 180:sc= 0 USER MOD Single : C 69 SER OG : rot 173:sc= -1.53! USER MOD Single : C 70 GLN :FLIP amide:sc= -1.13 F(o=-2.5!,f=-1.1) USER MOD Single : C 71 TYR OH : rot 180:sc= 0 USER MOD Single : C 76 TYR OH : rot -150:sc= 1.23 USER MOD Single : C 77 MET CE :methyl -169:sc= -0.485 (180deg=-0.857) USER MOD Single : C 79 LYS NZ :NH3+ 166:sc= -0.0236 (180deg=-0.225) USER MOD Single : C 85 ASN :FLIP amide:sc= -0.0152 F(o=-3.2!,f=-0.015) USER MOD Single : C 86 TYR OH : rot -143:sc= -1.88! USER MOD Single : C 87 THR OG1 : rot -22:sc= 0.85 USER MOD ----------------------------------------------------------------- ATOM 167 N LEU C 12 1.638 6.975 -2.893 1.00 0.00 N ATOM 168 CA LEU C 12 1.857 6.842 -1.459 1.00 0.00 C ATOM 169 C LEU C 12 0.519 6.733 -0.740 1.00 0.00 C ATOM 170 O LEU C 12 -0.455 7.384 -1.124 1.00 0.00 O ATOM 171 CB LEU C 12 2.665 8.038 -0.942 1.00 0.00 C ATOM 172 CG LEU C 12 3.920 8.371 -1.764 1.00 0.00 C ATOM 173 CD1 LEU C 12 4.669 9.540 -1.154 1.00 0.00 C ATOM 174 CD2 LEU C 12 4.838 7.164 -1.875 1.00 0.00 C ATOM 0 HA LEU C 12 2.427 5.934 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU C 12 2.018 8.915 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU C 12 2.964 7.839 0.087 1.00 0.00 H new ATOM 0 HG LEU C 12 3.594 8.649 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU C 12 5.554 9.758 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU C 12 4.021 10.416 -1.132 1.00 0.00 H new ATOM 0 HD13 LEU C 12 4.972 9.288 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU C 12 5.718 7.429 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU C 12 5.148 6.850 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU C 12 4.308 6.347 -2.365 1.00 0.00 H new ATOM 186 N TYR C 13 0.470 5.913 0.303 1.00 0.00 N ATOM 187 CA TYR C 13 -0.801 5.543 0.923 1.00 0.00 C ATOM 188 C TYR C 13 -0.646 5.363 2.435 1.00 0.00 C ATOM 189 O TYR C 13 0.324 5.854 3.015 1.00 0.00 O ATOM 190 CB TYR C 13 -1.321 4.267 0.279 1.00 0.00 C ATOM 191 CG TYR C 13 -1.830 4.428 -1.138 1.00 0.00 C ATOM 192 CD1 TYR C 13 -3.122 4.868 -1.386 1.00 0.00 C ATOM 193 CD2 TYR C 13 -1.024 4.117 -2.227 1.00 0.00 C ATOM 194 CE1 TYR C 13 -3.598 4.993 -2.677 1.00 0.00 C ATOM 195 CE2 TYR C 13 -1.490 4.245 -3.520 1.00 0.00 C ATOM 196 CZ TYR C 13 -2.778 4.681 -3.741 1.00 0.00 C ATOM 197 OH TYR C 13 -3.249 4.798 -5.029 1.00 0.00 O ATOM 0 H TYR C 13 1.291 5.492 0.737 1.00 0.00 H new ATOM 0 HA TYR C 13 -1.520 6.347 0.763 1.00 0.00 H new ATOM 0 HB2 TYR C 13 -0.522 3.525 0.280 1.00 0.00 H new ATOM 0 HB3 TYR C 13 -2.127 3.869 0.896 1.00 0.00 H new ATOM 0 HD1 TYR C 13 -3.767 5.117 -0.556 1.00 0.00 H new ATOM 0 HD2 TYR C 13 -0.016 3.769 -2.058 1.00 0.00 H new ATOM 0 HE1 TYR C 13 -4.608 5.334 -2.852 1.00 0.00 H new ATOM 0 HE2 TYR C 13 -0.848 4.004 -4.354 1.00 0.00 H new ATOM 0 HH TYR C 13 -2.544 4.540 -5.660 1.00 0.00 H new ATOM 207 N LYS C 14 -1.596 4.665 3.085 1.00 0.00 N ATOM 208 CA LYS C 14 -1.655 4.660 4.541 1.00 0.00 C ATOM 209 C LYS C 14 -2.147 3.314 5.033 1.00 0.00 C ATOM 210 O LYS C 14 -3.000 2.674 4.406 1.00 0.00 O ATOM 211 CB LYS C 14 -2.579 5.755 5.095 1.00 0.00 C ATOM 212 CG LYS C 14 -2.188 7.188 4.753 1.00 0.00 C ATOM 213 CD LYS C 14 -2.803 7.651 3.439 1.00 0.00 C ATOM 214 CE LYS C 14 -2.527 9.125 3.176 1.00 0.00 C ATOM 215 NZ LYS C 14 -1.075 9.404 3.024 1.00 0.00 N ATOM 0 H LYS C 14 -2.317 4.109 2.626 1.00 0.00 H new ATOM 0 HA LYS C 14 -0.644 4.856 4.899 1.00 0.00 H new ATOM 0 HB2 LYS C 14 -3.588 5.575 4.724 1.00 0.00 H new ATOM 0 HB3 LYS C 14 -2.617 5.658 6.180 1.00 0.00 H new ATOM 0 HG2 LYS C 14 -2.507 7.852 5.556 1.00 0.00 H new ATOM 0 HG3 LYS C 14 -1.102 7.262 4.691 1.00 0.00 H new ATOM 0 HD2 LYS C 14 -2.403 7.054 2.620 1.00 0.00 H new ATOM 0 HD3 LYS C 14 -3.879 7.481 3.461 1.00 0.00 H new ATOM 0 HE2 LYS C 14 -3.052 9.436 2.273 1.00 0.00 H new ATOM 0 HE3 LYS C 14 -2.926 9.720 3.997 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 -0.939 10.401 2.763 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 -0.589 9.212 3.923 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 -0.680 8.794 2.280 1.00 0.00 H new ATOM 229 N ASP C 15 -1.616 2.916 6.167 1.00 0.00 N ATOM 230 CA ASP C 15 -1.878 1.604 6.736 1.00 0.00 C ATOM 231 C ASP C 15 -3.134 1.614 7.623 1.00 0.00 C ATOM 232 O ASP C 15 -3.927 2.558 7.575 1.00 0.00 O ATOM 233 CB ASP C 15 -0.617 1.115 7.488 1.00 0.00 C ATOM 234 CG ASP C 15 -0.719 1.110 9.005 1.00 0.00 C ATOM 235 OD1 ASP C 15 -1.215 2.095 9.595 1.00 0.00 O ATOM 236 OD2 ASP C 15 -0.311 0.102 9.609 1.00 0.00 O ATOM 0 H ASP C 15 -0.987 3.492 6.726 1.00 0.00 H new ATOM 0 HA ASP C 15 -2.091 0.896 5.935 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -0.386 0.104 7.154 1.00 0.00 H new ATOM 0 HB3 ASP C 15 0.224 1.746 7.200 1.00 0.00 H new ATOM 241 N ALA C 16 -3.293 0.570 8.427 1.00 0.00 N ATOM 242 CA ALA C 16 -4.512 0.332 9.190 1.00 0.00 C ATOM 243 C ALA C 16 -4.769 1.404 10.255 1.00 0.00 C ATOM 244 O ALA C 16 -5.853 1.986 10.297 1.00 0.00 O ATOM 245 CB ALA C 16 -4.447 -1.053 9.851 1.00 0.00 C ATOM 0 H ALA C 16 -2.575 -0.140 8.569 1.00 0.00 H new ATOM 0 HA ALA C 16 -5.343 0.378 8.486 1.00 0.00 H new ATOM 0 HB1 ALA C 16 -5.360 -1.228 10.421 1.00 0.00 H new ATOM 0 HB2 ALA C 16 -4.347 -1.819 9.082 1.00 0.00 H new ATOM 0 HB3 ALA C 16 -3.588 -1.097 10.520 1.00 0.00 H new ATOM 251 N ASP C 17 -3.785 1.681 11.108 1.00 0.00 N ATOM 252 CA ASP C 17 -4.034 2.540 12.265 1.00 0.00 C ATOM 253 C ASP C 17 -3.504 3.945 12.042 1.00 0.00 C ATOM 254 O ASP C 17 -3.748 4.839 12.852 1.00 0.00 O ATOM 255 CB ASP C 17 -3.443 1.949 13.553 1.00 0.00 C ATOM 256 CG ASP C 17 -1.930 2.037 13.632 1.00 0.00 C ATOM 257 OD1 ASP C 17 -1.257 1.044 13.288 1.00 0.00 O ATOM 258 OD2 ASP C 17 -1.406 3.082 14.073 1.00 0.00 O ATOM 0 H ASP C 17 -2.830 1.333 11.025 1.00 0.00 H new ATOM 0 HA ASP C 17 -5.116 2.596 12.384 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -3.873 2.468 14.410 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -3.741 0.903 13.632 1.00 0.00 H new ATOM 263 N GLY C 18 -2.793 4.149 10.945 1.00 0.00 N ATOM 264 CA GLY C 18 -2.330 5.483 10.623 1.00 0.00 C ATOM 265 C GLY C 18 -0.839 5.559 10.382 1.00 0.00 C ATOM 266 O GLY C 18 -0.222 6.610 10.570 1.00 0.00 O ATOM 0 H GLY C 18 -2.530 3.424 10.277 1.00 0.00 H new ATOM 0 HA2 GLY C 18 -2.853 5.836 9.734 1.00 0.00 H new ATOM 0 HA3 GLY C 18 -2.594 6.158 11.437 1.00 0.00 H new ATOM 270 N VAL C 19 -0.262 4.449 9.966 1.00 0.00 N ATOM 271 CA VAL C 19 1.141 4.403 9.603 1.00 0.00 C ATOM 272 C VAL C 19 1.327 4.870 8.167 1.00 0.00 C ATOM 273 O VAL C 19 0.789 4.275 7.230 1.00 0.00 O ATOM 274 CB VAL C 19 1.714 2.977 9.770 1.00 0.00 C ATOM 275 CG1 VAL C 19 3.109 2.870 9.172 1.00 0.00 C ATOM 276 CG2 VAL C 19 1.741 2.588 11.239 1.00 0.00 C ATOM 0 H VAL C 19 -0.749 3.558 9.870 1.00 0.00 H new ATOM 0 HA VAL C 19 1.684 5.070 10.272 1.00 0.00 H new ATOM 0 HB VAL C 19 1.062 2.288 9.232 1.00 0.00 H new ATOM 0 HG11 VAL C 19 3.485 1.856 9.305 1.00 0.00 H new ATOM 0 HG12 VAL C 19 3.068 3.105 8.108 1.00 0.00 H new ATOM 0 HG13 VAL C 19 3.775 3.572 9.674 1.00 0.00 H new ATOM 0 HG21 VAL C 19 2.147 1.582 11.341 1.00 0.00 H new ATOM 0 HG22 VAL C 19 2.367 3.290 11.790 1.00 0.00 H new ATOM 0 HG23 VAL C 19 0.728 2.613 11.641 1.00 0.00 H new ATOM 286 N TYR C 20 2.060 5.958 8.004 1.00 0.00 N ATOM 287 CA TYR C 20 2.384 6.460 6.688 1.00 0.00 C ATOM 288 C TYR C 20 3.644 5.798 6.191 1.00 0.00 C ATOM 289 O TYR C 20 4.649 5.698 6.902 1.00 0.00 O ATOM 290 CB TYR C 20 2.565 7.966 6.707 1.00 0.00 C ATOM 291 CG TYR C 20 2.892 8.585 5.367 1.00 0.00 C ATOM 292 CD1 TYR C 20 4.072 9.293 5.182 1.00 0.00 C ATOM 293 CD2 TYR C 20 2.018 8.475 4.295 1.00 0.00 C ATOM 294 CE1 TYR C 20 4.369 9.876 3.969 1.00 0.00 C ATOM 295 CE2 TYR C 20 2.311 9.052 3.076 1.00 0.00 C ATOM 296 CZ TYR C 20 3.486 9.754 2.920 1.00 0.00 C ATOM 297 OH TYR C 20 3.777 10.339 1.713 1.00 0.00 O ATOM 0 H TYR C 20 2.441 6.510 8.773 1.00 0.00 H new ATOM 0 HA TYR C 20 1.557 6.227 6.017 1.00 0.00 H new ATOM 0 HB2 TYR C 20 1.652 8.422 7.088 1.00 0.00 H new ATOM 0 HB3 TYR C 20 3.362 8.213 7.409 1.00 0.00 H new ATOM 0 HD1 TYR C 20 4.768 9.388 6.002 1.00 0.00 H new ATOM 0 HD2 TYR C 20 1.094 7.929 4.416 1.00 0.00 H new ATOM 0 HE1 TYR C 20 5.290 10.426 3.842 1.00 0.00 H new ATOM 0 HE2 TYR C 20 1.623 8.954 2.249 1.00 0.00 H new ATOM 0 HH TYR C 20 3.052 10.158 1.079 1.00 0.00 H new ATOM 307 N VAL C 21 3.564 5.355 4.974 1.00 0.00 N ATOM 308 CA VAL C 21 4.629 4.591 4.348 1.00 0.00 C ATOM 309 C VAL C 21 4.640 4.810 2.837 1.00 0.00 C ATOM 310 O VAL C 21 3.586 4.892 2.192 1.00 0.00 O ATOM 311 CB VAL C 21 4.517 3.077 4.707 1.00 0.00 C ATOM 312 CG1 VAL C 21 3.064 2.646 4.803 1.00 0.00 C ATOM 313 CG2 VAL C 21 5.251 2.186 3.707 1.00 0.00 C ATOM 0 H VAL C 21 2.755 5.509 4.372 1.00 0.00 H new ATOM 0 HA VAL C 21 5.581 4.950 4.740 1.00 0.00 H new ATOM 0 HB VAL C 21 4.995 2.955 5.679 1.00 0.00 H new ATOM 0 HG11 VAL C 21 3.015 1.587 5.054 1.00 0.00 H new ATOM 0 HG12 VAL C 21 2.563 3.226 5.578 1.00 0.00 H new ATOM 0 HG13 VAL C 21 2.570 2.815 3.846 1.00 0.00 H new ATOM 0 HG21 VAL C 21 5.143 1.142 4.002 1.00 0.00 H new ATOM 0 HG22 VAL C 21 4.827 2.328 2.713 1.00 0.00 H new ATOM 0 HG23 VAL C 21 6.308 2.451 3.691 1.00 0.00 H new ATOM 323 N SER C 22 5.838 4.933 2.291 1.00 0.00 N ATOM 324 CA SER C 22 6.024 5.163 0.874 1.00 0.00 C ATOM 325 C SER C 22 6.506 3.892 0.183 1.00 0.00 C ATOM 326 O SER C 22 6.961 2.955 0.843 1.00 0.00 O ATOM 327 CB SER C 22 7.034 6.292 0.681 1.00 0.00 C ATOM 328 OG SER C 22 8.186 6.079 1.480 1.00 0.00 O ATOM 0 H SER C 22 6.708 4.876 2.821 1.00 0.00 H new ATOM 0 HA SER C 22 5.072 5.447 0.426 1.00 0.00 H new ATOM 0 HB2 SER C 22 7.320 6.354 -0.369 1.00 0.00 H new ATOM 0 HB3 SER C 22 6.575 7.245 0.943 1.00 0.00 H new ATOM 0 HG SER C 22 8.821 6.812 1.340 1.00 0.00 H new ATOM 334 N ALA C 23 6.403 3.858 -1.140 1.00 0.00 N ATOM 335 CA ALA C 23 6.849 2.714 -1.912 1.00 0.00 C ATOM 336 C ALA C 23 8.110 3.059 -2.687 1.00 0.00 C ATOM 337 O ALA C 23 8.109 3.946 -3.544 1.00 0.00 O ATOM 338 CB ALA C 23 5.756 2.244 -2.858 1.00 0.00 C ATOM 0 H ALA C 23 6.012 4.616 -1.699 1.00 0.00 H new ATOM 0 HA ALA C 23 7.075 1.901 -1.222 1.00 0.00 H new ATOM 0 HB1 ALA C 23 6.112 1.385 -3.427 1.00 0.00 H new ATOM 0 HB2 ALA C 23 4.875 1.958 -2.283 1.00 0.00 H new ATOM 0 HB3 ALA C 23 5.496 3.051 -3.543 1.00 0.00 H new ATOM 344 N LEU C 24 9.178 2.363 -2.366 1.00 0.00 N ATOM 345 CA LEU C 24 10.459 2.553 -3.031 1.00 0.00 C ATOM 346 C LEU C 24 10.727 1.356 -3.941 1.00 0.00 C ATOM 347 O LEU C 24 10.877 0.240 -3.457 1.00 0.00 O ATOM 348 CB LEU C 24 11.594 2.686 -2.001 1.00 0.00 C ATOM 349 CG LEU C 24 11.502 3.866 -1.013 1.00 0.00 C ATOM 350 CD1 LEU C 24 10.400 3.659 0.019 1.00 0.00 C ATOM 351 CD2 LEU C 24 12.838 4.073 -0.319 1.00 0.00 C ATOM 0 H LEU C 24 9.189 1.649 -1.638 1.00 0.00 H new ATOM 0 HA LEU C 24 10.422 3.470 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU C 24 11.639 1.762 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU C 24 12.536 2.769 -2.543 1.00 0.00 H new ATOM 0 HG LEU C 24 11.251 4.757 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU C 24 10.370 4.513 0.695 1.00 0.00 H new ATOM 0 HD12 LEU C 24 9.440 3.563 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU C 24 10.601 2.752 0.589 1.00 0.00 H new ATOM 0 HD21 LEU C 24 12.761 4.909 0.376 1.00 0.00 H new ATOM 0 HD22 LEU C 24 13.108 3.170 0.228 1.00 0.00 H new ATOM 0 HD23 LEU C 24 13.605 4.289 -1.063 1.00 0.00 H new ATOM 363 N PRO C 25 10.788 1.547 -5.266 1.00 0.00 N ATOM 364 CA PRO C 25 10.911 0.428 -6.200 1.00 0.00 C ATOM 365 C PRO C 25 12.299 -0.204 -6.163 1.00 0.00 C ATOM 366 O PRO C 25 13.310 0.496 -6.085 1.00 0.00 O ATOM 367 CB PRO C 25 10.637 1.055 -7.575 1.00 0.00 C ATOM 368 CG PRO C 25 10.218 2.468 -7.311 1.00 0.00 C ATOM 369 CD PRO C 25 10.774 2.837 -5.967 1.00 0.00 C ATOM 0 HA PRO C 25 10.222 -0.380 -5.953 1.00 0.00 H new ATOM 0 HB2 PRO C 25 11.528 1.023 -8.202 1.00 0.00 H new ATOM 0 HB3 PRO C 25 9.856 0.509 -8.104 1.00 0.00 H new ATOM 0 HG2 PRO C 25 10.598 3.136 -8.084 1.00 0.00 H new ATOM 0 HG3 PRO C 25 9.132 2.558 -7.319 1.00 0.00 H new ATOM 0 HD2 PRO C 25 11.772 3.268 -6.045 1.00 0.00 H new ATOM 0 HD3 PRO C 25 10.149 3.570 -5.456 1.00 0.00 H new ATOM 377 N ILE C 26 12.343 -1.528 -6.207 1.00 0.00 N ATOM 378 CA ILE C 26 13.608 -2.249 -6.193 1.00 0.00 C ATOM 379 C ILE C 26 14.058 -2.534 -7.617 1.00 0.00 C ATOM 380 O ILE C 26 13.384 -3.251 -8.358 1.00 0.00 O ATOM 381 CB ILE C 26 13.500 -3.585 -5.426 1.00 0.00 C ATOM 382 CG1 ILE C 26 12.957 -3.349 -4.013 1.00 0.00 C ATOM 383 CG2 ILE C 26 14.862 -4.273 -5.374 1.00 0.00 C ATOM 384 CD1 ILE C 26 12.756 -4.619 -3.208 1.00 0.00 C ATOM 0 H ILE C 26 11.517 -2.125 -6.253 1.00 0.00 H new ATOM 0 HA ILE C 26 14.336 -1.618 -5.684 1.00 0.00 H new ATOM 0 HB ILE C 26 12.803 -4.237 -5.953 1.00 0.00 H new ATOM 0 HG12 ILE C 26 13.644 -2.696 -3.475 1.00 0.00 H new ATOM 0 HG13 ILE C 26 12.006 -2.822 -4.084 1.00 0.00 H new ATOM 0 HG21 ILE C 26 14.774 -5.214 -4.831 1.00 0.00 H new ATOM 0 HG22 ILE C 26 15.209 -4.471 -6.388 1.00 0.00 H new ATOM 0 HG23 ILE C 26 15.577 -3.626 -4.866 1.00 0.00 H new ATOM 0 HD11 ILE C 26 12.370 -4.367 -2.220 1.00 0.00 H new ATOM 0 HD12 ILE C 26 12.045 -5.266 -3.721 1.00 0.00 H new ATOM 0 HD13 ILE C 26 13.709 -5.138 -3.103 1.00 0.00 H new ATOM 396 N LYS C 27 15.203 -1.975 -7.987 1.00 0.00 N ATOM 397 CA LYS C 27 15.731 -2.129 -9.332 1.00 0.00 C ATOM 398 C LYS C 27 16.405 -3.485 -9.502 1.00 0.00 C ATOM 399 O LYS C 27 15.984 -4.296 -10.327 1.00 0.00 O ATOM 400 CB LYS C 27 16.717 -0.998 -9.650 1.00 0.00 C ATOM 401 CG LYS C 27 17.445 -1.174 -10.975 1.00 0.00 C ATOM 402 CD LYS C 27 18.398 -0.022 -11.241 1.00 0.00 C ATOM 403 CE LYS C 27 19.051 -0.144 -12.606 1.00 0.00 C ATOM 404 NZ LYS C 27 18.058 -0.073 -13.709 1.00 0.00 N ATOM 0 H LYS C 27 15.785 -1.409 -7.369 1.00 0.00 H new ATOM 0 HA LYS C 27 14.898 -2.075 -10.032 1.00 0.00 H new ATOM 0 HB2 LYS C 27 16.177 -0.051 -9.665 1.00 0.00 H new ATOM 0 HB3 LYS C 27 17.452 -0.933 -8.848 1.00 0.00 H new ATOM 0 HG2 LYS C 27 18.000 -2.112 -10.965 1.00 0.00 H new ATOM 0 HG3 LYS C 27 16.719 -1.242 -11.785 1.00 0.00 H new ATOM 0 HD2 LYS C 27 17.856 0.922 -11.179 1.00 0.00 H new ATOM 0 HD3 LYS C 27 19.167 0.001 -10.469 1.00 0.00 H new ATOM 0 HE2 LYS C 27 19.786 0.652 -12.728 1.00 0.00 H new ATOM 0 HE3 LYS C 27 19.592 -1.089 -12.666 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 18.551 0.095 -14.609 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 17.534 -0.970 -13.763 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 17.393 0.706 -13.528 1.00 0.00 H new ATOM 418 N ALA C 28 17.440 -3.734 -8.712 1.00 0.00 N ATOM 419 CA ALA C 28 18.212 -4.961 -8.832 1.00 0.00 C ATOM 420 C ALA C 28 19.092 -5.177 -7.610 1.00 0.00 C ATOM 421 O ALA C 28 19.506 -4.222 -6.955 1.00 0.00 O ATOM 422 CB ALA C 28 19.063 -4.929 -10.094 1.00 0.00 C ATOM 0 H ALA C 28 17.764 -3.101 -7.981 1.00 0.00 H new ATOM 0 HA ALA C 28 17.512 -5.794 -8.898 1.00 0.00 H new ATOM 0 HB1 ALA C 28 19.635 -5.854 -10.171 1.00 0.00 H new ATOM 0 HB2 ALA C 28 18.417 -4.829 -10.966 1.00 0.00 H new ATOM 0 HB3 ALA C 28 19.747 -4.082 -10.050 1.00 0.00 H new ATOM 428 N ILE C 29 19.364 -6.436 -7.309 1.00 0.00 N ATOM 429 CA ILE C 29 20.220 -6.800 -6.194 1.00 0.00 C ATOM 430 C ILE C 29 21.246 -7.827 -6.643 1.00 0.00 C ATOM 431 O ILE C 29 20.940 -8.724 -7.424 1.00 0.00 O ATOM 432 CB ILE C 29 19.393 -7.358 -5.003 1.00 0.00 C ATOM 433 CG1 ILE C 29 18.562 -6.252 -4.353 1.00 0.00 C ATOM 434 CG2 ILE C 29 20.297 -8.005 -3.964 1.00 0.00 C ATOM 435 CD1 ILE C 29 17.391 -6.772 -3.551 1.00 0.00 C ATOM 0 H ILE C 29 18.998 -7.233 -7.830 1.00 0.00 H new ATOM 0 HA ILE C 29 20.732 -5.900 -5.854 1.00 0.00 H new ATOM 0 HB ILE C 29 18.719 -8.118 -5.398 1.00 0.00 H new ATOM 0 HG12 ILE C 29 19.205 -5.660 -3.701 1.00 0.00 H new ATOM 0 HG13 ILE C 29 18.192 -5.582 -5.129 1.00 0.00 H new ATOM 0 HG21 ILE C 29 19.691 -8.387 -3.142 1.00 0.00 H new ATOM 0 HG22 ILE C 29 20.847 -8.827 -4.422 1.00 0.00 H new ATOM 0 HG23 ILE C 29 21.001 -7.265 -3.583 1.00 0.00 H new ATOM 0 HD11 ILE C 29 16.845 -5.933 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE C 29 16.727 -7.339 -4.203 1.00 0.00 H new ATOM 0 HD13 ILE C 29 17.755 -7.419 -2.753 1.00 0.00 H new ATOM 447 N LYS C 30 22.460 -7.687 -6.147 1.00 0.00 N ATOM 448 CA LYS C 30 23.551 -8.546 -6.574 1.00 0.00 C ATOM 449 C LYS C 30 24.280 -9.150 -5.383 1.00 0.00 C ATOM 450 O LYS C 30 24.899 -8.433 -4.593 1.00 0.00 O ATOM 451 CB LYS C 30 24.542 -7.766 -7.442 1.00 0.00 C ATOM 452 CG LYS C 30 25.700 -8.608 -7.961 1.00 0.00 C ATOM 453 CD LYS C 30 25.223 -9.691 -8.916 1.00 0.00 C ATOM 454 CE LYS C 30 26.359 -10.611 -9.337 1.00 0.00 C ATOM 455 NZ LYS C 30 27.457 -9.875 -10.019 1.00 0.00 N ATOM 0 H LYS C 30 22.717 -6.989 -5.449 1.00 0.00 H new ATOM 0 HA LYS C 30 23.119 -9.356 -7.161 1.00 0.00 H new ATOM 0 HB2 LYS C 30 24.008 -7.337 -8.290 1.00 0.00 H new ATOM 0 HB3 LYS C 30 24.941 -6.934 -6.862 1.00 0.00 H new ATOM 0 HG2 LYS C 30 26.419 -7.965 -8.469 1.00 0.00 H new ATOM 0 HG3 LYS C 30 26.221 -9.067 -7.121 1.00 0.00 H new ATOM 0 HD2 LYS C 30 24.438 -10.277 -8.438 1.00 0.00 H new ATOM 0 HD3 LYS C 30 24.783 -9.229 -9.800 1.00 0.00 H new ATOM 0 HE2 LYS C 30 26.756 -11.120 -8.459 1.00 0.00 H new ATOM 0 HE3 LYS C 30 25.972 -11.381 -10.004 1.00 0.00 H new ATOM 0 HZ1 LYS C 30 28.151 -10.554 -10.392 1.00 0.00 H new ATOM 0 HZ2 LYS C 30 27.065 -9.315 -10.803 1.00 0.00 H new ATOM 0 HZ3 LYS C 30 27.924 -9.241 -9.340 1.00 0.00 H new ATOM 469 N TYR C 31 24.184 -10.466 -5.260 1.00 0.00 N ATOM 470 CA TYR C 31 24.954 -11.212 -4.275 1.00 0.00 C ATOM 471 C TYR C 31 26.437 -11.120 -4.610 1.00 0.00 C ATOM 472 O TYR C 31 26.913 -11.766 -5.544 1.00 0.00 O ATOM 473 CB TYR C 31 24.517 -12.681 -4.234 1.00 0.00 C ATOM 474 CG TYR C 31 23.132 -12.903 -3.664 1.00 0.00 C ATOM 475 CD1 TYR C 31 22.929 -12.981 -2.292 1.00 0.00 C ATOM 476 CD2 TYR C 31 22.030 -13.047 -4.497 1.00 0.00 C ATOM 477 CE1 TYR C 31 21.668 -13.195 -1.767 1.00 0.00 C ATOM 478 CE2 TYR C 31 20.766 -13.258 -3.981 1.00 0.00 C ATOM 479 CZ TYR C 31 20.590 -13.332 -2.617 1.00 0.00 C ATOM 480 OH TYR C 31 19.329 -13.544 -2.101 1.00 0.00 O ATOM 0 H TYR C 31 23.573 -11.044 -5.837 1.00 0.00 H new ATOM 0 HA TYR C 31 24.774 -10.777 -3.292 1.00 0.00 H new ATOM 0 HB2 TYR C 31 24.550 -13.086 -5.245 1.00 0.00 H new ATOM 0 HB3 TYR C 31 25.236 -13.246 -3.641 1.00 0.00 H new ATOM 0 HD1 TYR C 31 23.771 -12.873 -1.624 1.00 0.00 H new ATOM 0 HD2 TYR C 31 22.164 -12.993 -5.567 1.00 0.00 H new ATOM 0 HE1 TYR C 31 21.528 -13.255 -0.698 1.00 0.00 H new ATOM 0 HE2 TYR C 31 19.920 -13.364 -4.644 1.00 0.00 H new ATOM 0 HH TYR C 31 18.683 -13.617 -2.835 1.00 0.00 H new ATOM 490 N ALA C 32 27.152 -10.301 -3.860 1.00 0.00 N ATOM 491 CA ALA C 32 28.563 -10.102 -4.072 1.00 0.00 C ATOM 492 C ALA C 32 29.344 -11.288 -3.548 1.00 0.00 C ATOM 493 O ALA C 32 28.810 -12.160 -2.860 1.00 0.00 O ATOM 494 CB ALA C 32 29.021 -8.821 -3.390 1.00 0.00 C ATOM 0 H ALA C 32 26.765 -9.758 -3.088 1.00 0.00 H new ATOM 0 HA ALA C 32 28.748 -10.011 -5.142 1.00 0.00 H new ATOM 0 HB1 ALA C 32 30.089 -8.682 -3.557 1.00 0.00 H new ATOM 0 HB2 ALA C 32 28.475 -7.973 -3.804 1.00 0.00 H new ATOM 0 HB3 ALA C 32 28.827 -8.889 -2.320 1.00 0.00 H new ATOM 500 N ASN C 33 30.617 -11.281 -3.863 1.00 0.00 N ATOM 501 CA ASN C 33 31.502 -12.418 -3.609 1.00 0.00 C ATOM 502 C ASN C 33 31.767 -12.616 -2.121 1.00 0.00 C ATOM 503 O ASN C 33 32.276 -13.660 -1.713 1.00 0.00 O ATOM 504 CB ASN C 33 32.833 -12.243 -4.352 1.00 0.00 C ATOM 505 CG ASN C 33 33.718 -11.166 -3.746 1.00 0.00 C ATOM 506 OD1 ASN C 33 34.514 -11.435 -2.848 1.00 0.00 O ATOM 507 ND2 ASN C 33 33.596 -9.945 -4.241 1.00 0.00 N ATOM 0 H ASN C 33 31.081 -10.488 -4.305 1.00 0.00 H new ATOM 0 HA ASN C 33 30.992 -13.307 -3.981 1.00 0.00 H new ATOM 0 HB2 ASN C 33 33.371 -13.191 -4.349 1.00 0.00 H new ATOM 0 HB3 ASN C 33 32.631 -11.995 -5.394 1.00 0.00 H new ATOM 0 HD21 ASN C 33 34.174 -9.187 -3.878 1.00 0.00 H new ATOM 0 HD22 ASN C 33 32.924 -9.762 -4.986 1.00 0.00 H new ATOM 514 N ASP C 34 31.432 -11.618 -1.312 1.00 0.00 N ATOM 515 CA ASP C 34 31.625 -11.717 0.131 1.00 0.00 C ATOM 516 C ASP C 34 30.350 -12.207 0.807 1.00 0.00 C ATOM 517 O ASP C 34 30.380 -12.678 1.945 1.00 0.00 O ATOM 518 CB ASP C 34 32.034 -10.365 0.727 1.00 0.00 C ATOM 519 CG ASP C 34 30.888 -9.373 0.783 1.00 0.00 C ATOM 520 OD1 ASP C 34 30.149 -9.365 1.789 1.00 0.00 O ATOM 521 OD2 ASP C 34 30.725 -8.590 -0.173 1.00 0.00 O ATOM 0 H ASP C 34 31.028 -10.736 -1.627 1.00 0.00 H new ATOM 0 HA ASP C 34 32.426 -12.434 0.310 1.00 0.00 H new ATOM 0 HB2 ASP C 34 32.423 -10.520 1.733 1.00 0.00 H new ATOM 0 HB3 ASP C 34 32.845 -9.942 0.134 1.00 0.00 H new ATOM 526 N GLY C 35 29.232 -12.095 0.104 1.00 0.00 N ATOM 527 CA GLY C 35 27.959 -12.489 0.669 1.00 0.00 C ATOM 528 C GLY C 35 26.963 -11.347 0.682 1.00 0.00 C ATOM 529 O GLY C 35 25.770 -11.554 0.455 1.00 0.00 O ATOM 0 H GLY C 35 29.185 -11.737 -0.850 1.00 0.00 H new ATOM 0 HA2 GLY C 35 27.550 -13.320 0.095 1.00 0.00 H new ATOM 0 HA3 GLY C 35 28.110 -12.849 1.687 1.00 0.00 H new ATOM 533 N SER C 36 27.453 -10.139 0.946 1.00 0.00 N ATOM 534 CA SER C 36 26.605 -8.952 0.962 1.00 0.00 C ATOM 535 C SER C 36 25.951 -8.747 -0.399 1.00 0.00 C ATOM 536 O SER C 36 26.538 -9.059 -1.435 1.00 0.00 O ATOM 537 CB SER C 36 27.428 -7.719 1.331 1.00 0.00 C ATOM 538 OG SER C 36 28.153 -7.929 2.531 1.00 0.00 O ATOM 0 H SER C 36 28.435 -9.957 1.152 1.00 0.00 H new ATOM 0 HA SER C 36 25.825 -9.096 1.710 1.00 0.00 H new ATOM 0 HB2 SER C 36 28.119 -7.484 0.522 1.00 0.00 H new ATOM 0 HB3 SER C 36 26.768 -6.859 1.447 1.00 0.00 H new ATOM 0 HG SER C 36 29.082 -8.154 2.317 1.00 0.00 H new ATOM 544 N ALA C 37 24.739 -8.227 -0.397 1.00 0.00 N ATOM 545 CA ALA C 37 24.008 -8.036 -1.633 1.00 0.00 C ATOM 546 C ALA C 37 23.824 -6.563 -1.937 1.00 0.00 C ATOM 547 O ALA C 37 23.246 -5.822 -1.146 1.00 0.00 O ATOM 548 CB ALA C 37 22.667 -8.750 -1.572 1.00 0.00 C ATOM 0 H ALA C 37 24.242 -7.931 0.443 1.00 0.00 H new ATOM 0 HA ALA C 37 24.592 -8.470 -2.444 1.00 0.00 H new ATOM 0 HB1 ALA C 37 22.130 -8.597 -2.508 1.00 0.00 H new ATOM 0 HB2 ALA C 37 22.829 -9.817 -1.417 1.00 0.00 H new ATOM 0 HB3 ALA C 37 22.079 -8.349 -0.747 1.00 0.00 H new ATOM 554 N ASN C 38 24.338 -6.139 -3.081 1.00 0.00 N ATOM 555 CA ASN C 38 24.206 -4.754 -3.510 1.00 0.00 C ATOM 556 C ASN C 38 22.775 -4.478 -3.923 1.00 0.00 C ATOM 557 O ASN C 38 22.273 -5.087 -4.867 1.00 0.00 O ATOM 558 CB ASN C 38 25.133 -4.437 -4.681 1.00 0.00 C ATOM 559 CG ASN C 38 26.596 -4.623 -4.355 1.00 0.00 C ATOM 560 OD1 ASN C 38 27.121 -5.813 -4.609 1.00 0.00 O flip ATOM 561 ND2 ASN C 38 27.257 -3.694 -3.895 1.00 0.00 N flip ATOM 0 H ASN C 38 24.851 -6.735 -3.731 1.00 0.00 H new ATOM 0 HA ASN C 38 24.485 -4.120 -2.669 1.00 0.00 H new ATOM 0 HB2 ASN C 38 24.872 -5.076 -5.525 1.00 0.00 H new ATOM 0 HB3 ASN C 38 24.967 -3.407 -4.998 1.00 0.00 H new ATOM 0 HD21 ASN C 38 26.814 -2.793 -3.714 1.00 0.00 H new ATOM 0 HD22 ASN C 38 28.249 -3.824 -3.694 1.00 0.00 H new ATOM 568 N ALA C 39 22.118 -3.574 -3.220 1.00 0.00 N ATOM 569 CA ALA C 39 20.727 -3.286 -3.499 1.00 0.00 C ATOM 570 C ALA C 39 20.549 -1.949 -4.193 1.00 0.00 C ATOM 571 O ALA C 39 20.712 -0.894 -3.586 1.00 0.00 O ATOM 572 CB ALA C 39 19.895 -3.358 -2.230 1.00 0.00 C ATOM 0 H ALA C 39 22.523 -3.031 -2.457 1.00 0.00 H new ATOM 0 HA ALA C 39 20.370 -4.052 -4.187 1.00 0.00 H new ATOM 0 HB1 ALA C 39 18.854 -3.138 -2.465 1.00 0.00 H new ATOM 0 HB2 ALA C 39 19.967 -4.359 -1.804 1.00 0.00 H new ATOM 0 HB3 ALA C 39 20.266 -2.629 -1.510 1.00 0.00 H new ATOM 578 N GLU C 40 20.216 -2.016 -5.474 1.00 0.00 N ATOM 579 CA GLU C 40 19.939 -0.832 -6.268 1.00 0.00 C ATOM 580 C GLU C 40 18.457 -0.477 -6.179 1.00 0.00 C ATOM 581 O GLU C 40 17.604 -1.245 -6.631 1.00 0.00 O ATOM 582 CB GLU C 40 20.326 -1.071 -7.729 1.00 0.00 C ATOM 583 CG GLU C 40 21.809 -1.329 -7.929 1.00 0.00 C ATOM 584 CD GLU C 40 22.159 -1.616 -9.370 1.00 0.00 C ATOM 585 OE1 GLU C 40 22.415 -2.791 -9.698 1.00 0.00 O ATOM 586 OE2 GLU C 40 22.182 -0.668 -10.183 1.00 0.00 O ATOM 0 H GLU C 40 20.131 -2.892 -5.990 1.00 0.00 H new ATOM 0 HA GLU C 40 20.530 -0.004 -5.876 1.00 0.00 H new ATOM 0 HB2 GLU C 40 19.763 -1.922 -8.111 1.00 0.00 H new ATOM 0 HB3 GLU C 40 20.033 -0.204 -8.321 1.00 0.00 H new ATOM 0 HG2 GLU C 40 22.374 -0.462 -7.587 1.00 0.00 H new ATOM 0 HG3 GLU C 40 22.114 -2.173 -7.310 1.00 0.00 H new ATOM 593 N PHE C 41 18.145 0.666 -5.582 1.00 0.00 N ATOM 594 CA PHE C 41 16.769 1.118 -5.476 1.00 0.00 C ATOM 595 C PHE C 41 16.469 2.147 -6.549 1.00 0.00 C ATOM 596 O PHE C 41 17.346 2.911 -6.955 1.00 0.00 O ATOM 597 CB PHE C 41 16.504 1.718 -4.096 1.00 0.00 C ATOM 598 CG PHE C 41 16.558 0.712 -2.985 1.00 0.00 C ATOM 599 CD1 PHE C 41 15.542 -0.216 -2.824 1.00 0.00 C ATOM 600 CD2 PHE C 41 17.626 0.691 -2.101 1.00 0.00 C ATOM 601 CE1 PHE C 41 15.589 -1.145 -1.805 1.00 0.00 C ATOM 602 CE2 PHE C 41 17.677 -0.236 -1.078 1.00 0.00 C ATOM 603 CZ PHE C 41 16.657 -1.155 -0.929 1.00 0.00 C ATOM 0 H PHE C 41 18.830 1.296 -5.164 1.00 0.00 H new ATOM 0 HA PHE C 41 16.116 0.257 -5.615 1.00 0.00 H new ATOM 0 HB2 PHE C 41 17.237 2.501 -3.902 1.00 0.00 H new ATOM 0 HB3 PHE C 41 15.523 2.193 -4.098 1.00 0.00 H new ATOM 0 HD1 PHE C 41 14.703 -0.212 -3.504 1.00 0.00 H new ATOM 0 HD2 PHE C 41 18.427 1.407 -2.213 1.00 0.00 H new ATOM 0 HE1 PHE C 41 14.791 -1.864 -1.692 1.00 0.00 H new ATOM 0 HE2 PHE C 41 18.514 -0.242 -0.395 1.00 0.00 H new ATOM 0 HZ PHE C 41 16.694 -1.880 -0.129 1.00 0.00 H new ATOM 613 N ASP C 42 15.227 2.160 -7.003 1.00 0.00 N ATOM 614 CA ASP C 42 14.802 3.094 -8.027 1.00 0.00 C ATOM 615 C ASP C 42 14.450 4.426 -7.397 1.00 0.00 C ATOM 616 O ASP C 42 13.631 4.508 -6.480 1.00 0.00 O ATOM 617 CB ASP C 42 13.607 2.543 -8.798 1.00 0.00 C ATOM 618 CG ASP C 42 13.260 3.371 -10.016 1.00 0.00 C ATOM 619 OD1 ASP C 42 12.329 4.201 -9.931 1.00 0.00 O ATOM 620 OD2 ASP C 42 13.907 3.187 -11.071 1.00 0.00 O ATOM 0 H ASP C 42 14.494 1.531 -6.676 1.00 0.00 H new ATOM 0 HA ASP C 42 15.624 3.238 -8.728 1.00 0.00 H new ATOM 0 HB2 ASP C 42 13.822 1.521 -9.109 1.00 0.00 H new ATOM 0 HB3 ASP C 42 12.742 2.500 -8.136 1.00 0.00 H new ATOM 625 N GLY C 43 15.074 5.459 -7.906 1.00 0.00 N ATOM 626 CA GLY C 43 14.940 6.781 -7.343 1.00 0.00 C ATOM 627 C GLY C 43 16.253 7.267 -6.769 1.00 0.00 C ATOM 628 O GLY C 43 17.265 6.567 -6.865 1.00 0.00 O ATOM 0 H GLY C 43 15.687 5.409 -8.719 1.00 0.00 H new ATOM 0 HA2 GLY C 43 14.598 7.474 -8.112 1.00 0.00 H new ATOM 0 HA3 GLY C 43 14.180 6.771 -6.562 1.00 0.00 H new ATOM 632 N PRO C 44 16.280 8.460 -6.166 1.00 0.00 N ATOM 633 CA PRO C 44 17.497 9.015 -5.573 1.00 0.00 C ATOM 634 C PRO C 44 17.810 8.388 -4.216 1.00 0.00 C ATOM 635 O PRO C 44 17.877 9.078 -3.199 1.00 0.00 O ATOM 636 CB PRO C 44 17.160 10.497 -5.423 1.00 0.00 C ATOM 637 CG PRO C 44 15.680 10.535 -5.246 1.00 0.00 C ATOM 638 CD PRO C 44 15.124 9.363 -6.011 1.00 0.00 C ATOM 0 HA PRO C 44 18.382 8.826 -6.180 1.00 0.00 H new ATOM 0 HB2 PRO C 44 17.672 10.934 -4.566 1.00 0.00 H new ATOM 0 HB3 PRO C 44 17.468 11.064 -6.302 1.00 0.00 H new ATOM 0 HG2 PRO C 44 15.414 10.470 -4.191 1.00 0.00 H new ATOM 0 HG3 PRO C 44 15.269 11.472 -5.621 1.00 0.00 H new ATOM 0 HD2 PRO C 44 14.311 8.881 -5.468 1.00 0.00 H new ATOM 0 HD3 PRO C 44 14.724 9.670 -6.978 1.00 0.00 H new ATOM 646 N TYR C 45 17.992 7.076 -4.206 1.00 0.00 N ATOM 647 CA TYR C 45 18.230 6.352 -2.969 1.00 0.00 C ATOM 648 C TYR C 45 19.519 5.545 -3.036 1.00 0.00 C ATOM 649 O TYR C 45 20.265 5.631 -4.015 1.00 0.00 O ATOM 650 CB TYR C 45 17.044 5.436 -2.640 1.00 0.00 C ATOM 651 CG TYR C 45 15.767 6.190 -2.337 1.00 0.00 C ATOM 652 CD1 TYR C 45 15.490 6.634 -1.049 1.00 0.00 C ATOM 653 CD2 TYR C 45 14.847 6.469 -3.340 1.00 0.00 C ATOM 654 CE1 TYR C 45 14.335 7.335 -0.772 1.00 0.00 C ATOM 655 CE2 TYR C 45 13.687 7.168 -3.068 1.00 0.00 C ATOM 656 CZ TYR C 45 13.437 7.598 -1.783 1.00 0.00 C ATOM 657 OH TYR C 45 12.287 8.305 -1.506 1.00 0.00 O ATOM 0 H TYR C 45 17.979 6.492 -5.042 1.00 0.00 H new ATOM 0 HA TYR C 45 18.335 7.088 -2.172 1.00 0.00 H new ATOM 0 HB2 TYR C 45 16.870 4.764 -3.480 1.00 0.00 H new ATOM 0 HB3 TYR C 45 17.302 4.814 -1.783 1.00 0.00 H new ATOM 0 HD1 TYR C 45 16.190 6.427 -0.253 1.00 0.00 H new ATOM 0 HD2 TYR C 45 15.042 6.134 -4.348 1.00 0.00 H new ATOM 0 HE1 TYR C 45 14.135 7.676 0.233 1.00 0.00 H new ATOM 0 HE2 TYR C 45 12.980 7.376 -3.858 1.00 0.00 H new ATOM 0 HH TYR C 45 11.760 8.407 -2.326 1.00 0.00 H new ATOM 667 N ALA C 46 19.772 4.783 -1.983 1.00 0.00 N ATOM 668 CA ALA C 46 20.993 3.999 -1.849 1.00 0.00 C ATOM 669 C ALA C 46 21.089 2.881 -2.887 1.00 0.00 C ATOM 670 O ALA C 46 20.078 2.390 -3.395 1.00 0.00 O ATOM 671 CB ALA C 46 21.059 3.403 -0.452 1.00 0.00 C ATOM 0 H ALA C 46 19.134 4.690 -1.193 1.00 0.00 H new ATOM 0 HA ALA C 46 21.834 4.672 -2.019 1.00 0.00 H new ATOM 0 HB1 ALA C 46 21.972 2.816 -0.350 1.00 0.00 H new ATOM 0 HB2 ALA C 46 21.059 4.205 0.286 1.00 0.00 H new ATOM 0 HB3 ALA C 46 20.194 2.760 -0.290 1.00 0.00 H new ATOM 677 N ASP C 47 22.322 2.512 -3.204 1.00 0.00 N ATOM 678 CA ASP C 47 22.610 1.316 -3.988 1.00 0.00 C ATOM 679 C ASP C 47 23.967 0.776 -3.555 1.00 0.00 C ATOM 680 O ASP C 47 25.016 1.179 -4.057 1.00 0.00 O ATOM 681 CB ASP C 47 22.554 1.589 -5.506 1.00 0.00 C ATOM 682 CG ASP C 47 23.616 2.550 -6.013 1.00 0.00 C ATOM 683 OD1 ASP C 47 23.505 3.769 -5.754 1.00 0.00 O ATOM 684 OD2 ASP C 47 24.561 2.095 -6.697 1.00 0.00 O ATOM 0 H ASP C 47 23.153 3.033 -2.925 1.00 0.00 H new ATOM 0 HA ASP C 47 21.842 0.566 -3.799 1.00 0.00 H new ATOM 0 HB2 ASP C 47 22.656 0.642 -6.037 1.00 0.00 H new ATOM 0 HB3 ASP C 47 21.571 1.990 -5.754 1.00 0.00 H new ATOM 689 N GLN C 48 23.947 -0.131 -2.590 1.00 0.00 N ATOM 690 CA GLN C 48 25.166 -0.472 -1.858 1.00 0.00 C ATOM 691 C GLN C 48 25.136 -1.915 -1.398 1.00 0.00 C ATOM 692 O GLN C 48 24.123 -2.598 -1.544 1.00 0.00 O ATOM 693 CB GLN C 48 25.323 0.433 -0.628 1.00 0.00 C ATOM 694 CG GLN C 48 25.297 1.922 -0.942 1.00 0.00 C ATOM 695 CD GLN C 48 25.333 2.789 0.296 1.00 0.00 C ATOM 696 OE1 GLN C 48 24.167 3.059 0.858 1.00 0.00 O flip ATOM 697 NE2 GLN C 48 26.398 3.197 0.755 1.00 0.00 N flip ATOM 0 H GLN C 48 23.114 -0.640 -2.295 1.00 0.00 H new ATOM 0 HA GLN C 48 26.008 -0.327 -2.535 1.00 0.00 H new ATOM 0 HB2 GLN C 48 24.524 0.208 0.079 1.00 0.00 H new ATOM 0 HB3 GLN C 48 26.264 0.194 -0.133 1.00 0.00 H new ATOM 0 HG2 GLN C 48 26.149 2.169 -1.576 1.00 0.00 H new ATOM 0 HG3 GLN C 48 24.397 2.151 -1.513 1.00 0.00 H new ATOM 0 HE21 GLN C 48 27.276 2.965 0.290 1.00 0.00 H new ATOM 0 HE22 GLN C 48 26.404 3.767 1.601 1.00 0.00 H new ATOM 706 N TYR C 49 26.243 -2.362 -0.817 1.00 0.00 N ATOM 707 CA TYR C 49 26.330 -3.713 -0.289 1.00 0.00 C ATOM 708 C TYR C 49 25.509 -3.824 0.989 1.00 0.00 C ATOM 709 O TYR C 49 25.848 -3.215 2.005 1.00 0.00 O ATOM 710 CB TYR C 49 27.783 -4.094 0.043 1.00 0.00 C ATOM 711 CG TYR C 49 28.734 -4.109 -1.131 1.00 0.00 C ATOM 712 CD1 TYR C 49 29.028 -5.291 -1.798 1.00 0.00 C ATOM 713 CD2 TYR C 49 29.348 -2.944 -1.561 1.00 0.00 C ATOM 714 CE1 TYR C 49 29.907 -5.306 -2.864 1.00 0.00 C ATOM 715 CE2 TYR C 49 30.226 -2.949 -2.626 1.00 0.00 C ATOM 716 CZ TYR C 49 30.502 -4.132 -3.275 1.00 0.00 C ATOM 717 OH TYR C 49 31.371 -4.141 -4.341 1.00 0.00 O ATOM 0 H TYR C 49 27.091 -1.807 -0.701 1.00 0.00 H new ATOM 0 HA TYR C 49 25.947 -4.388 -1.055 1.00 0.00 H new ATOM 0 HB2 TYR C 49 28.163 -3.394 0.788 1.00 0.00 H new ATOM 0 HB3 TYR C 49 27.785 -5.082 0.503 1.00 0.00 H new ATOM 0 HD1 TYR C 49 28.563 -6.212 -1.479 1.00 0.00 H new ATOM 0 HD2 TYR C 49 29.136 -2.015 -1.053 1.00 0.00 H new ATOM 0 HE1 TYR C 49 30.127 -6.233 -3.373 1.00 0.00 H new ATOM 0 HE2 TYR C 49 30.694 -2.031 -2.949 1.00 0.00 H new ATOM 0 HH TYR C 49 31.701 -3.232 -4.502 1.00 0.00 H new ATOM 727 N MET C 50 24.436 -4.587 0.942 1.00 0.00 N ATOM 728 CA MET C 50 23.639 -4.840 2.127 1.00 0.00 C ATOM 729 C MET C 50 24.159 -6.097 2.808 1.00 0.00 C ATOM 730 O MET C 50 24.358 -7.121 2.155 1.00 0.00 O ATOM 731 CB MET C 50 22.160 -4.998 1.755 1.00 0.00 C ATOM 732 CG MET C 50 21.237 -5.159 2.955 1.00 0.00 C ATOM 733 SD MET C 50 21.245 -3.721 4.045 1.00 0.00 S ATOM 734 CE MET C 50 20.611 -2.454 2.946 1.00 0.00 C ATOM 0 H MET C 50 24.095 -5.043 0.096 1.00 0.00 H new ATOM 0 HA MET C 50 23.721 -3.996 2.812 1.00 0.00 H new ATOM 0 HB2 MET C 50 21.845 -4.127 1.181 1.00 0.00 H new ATOM 0 HB3 MET C 50 22.050 -5.866 1.105 1.00 0.00 H new ATOM 0 HG2 MET C 50 20.221 -5.337 2.604 1.00 0.00 H new ATOM 0 HG3 MET C 50 21.537 -6.040 3.522 1.00 0.00 H new ATOM 0 HE1 MET C 50 20.258 -1.606 3.533 1.00 0.00 H new ATOM 0 HE2 MET C 50 21.404 -2.125 2.274 1.00 0.00 H new ATOM 0 HE3 MET C 50 19.785 -2.859 2.361 1.00 0.00 H new ATOM 744 N SER C 51 24.405 -5.998 4.108 1.00 0.00 N ATOM 745 CA SER C 51 24.958 -7.099 4.888 1.00 0.00 C ATOM 746 C SER C 51 24.153 -8.385 4.694 1.00 0.00 C ATOM 747 O SER C 51 22.925 -8.380 4.720 1.00 0.00 O ATOM 748 CB SER C 51 24.990 -6.694 6.360 1.00 0.00 C ATOM 749 OG SER C 51 24.056 -5.655 6.615 1.00 0.00 O ATOM 0 H SER C 51 24.227 -5.153 4.651 1.00 0.00 H new ATOM 0 HA SER C 51 25.971 -7.305 4.542 1.00 0.00 H new ATOM 0 HB2 SER C 51 24.761 -7.557 6.985 1.00 0.00 H new ATOM 0 HB3 SER C 51 25.993 -6.363 6.629 1.00 0.00 H new ATOM 0 HG SER C 51 24.199 -5.301 7.518 1.00 0.00 H new ATOM 755 N ALA C 52 24.883 -9.484 4.506 1.00 0.00 N ATOM 756 CA ALA C 52 24.310 -10.770 4.125 1.00 0.00 C ATOM 757 C ALA C 52 23.345 -11.308 5.165 1.00 0.00 C ATOM 758 O ALA C 52 22.307 -11.861 4.819 1.00 0.00 O ATOM 759 CB ALA C 52 25.419 -11.777 3.871 1.00 0.00 C ATOM 0 H ALA C 52 25.897 -9.505 4.615 1.00 0.00 H new ATOM 0 HA ALA C 52 23.739 -10.611 3.210 1.00 0.00 H new ATOM 0 HB1 ALA C 52 24.983 -12.735 3.587 1.00 0.00 H new ATOM 0 HB2 ALA C 52 26.060 -11.417 3.066 1.00 0.00 H new ATOM 0 HB3 ALA C 52 26.011 -11.903 4.778 1.00 0.00 H new ATOM 765 N GLN C 53 23.688 -11.156 6.436 1.00 0.00 N ATOM 766 CA GLN C 53 22.792 -11.566 7.509 1.00 0.00 C ATOM 767 C GLN C 53 21.518 -10.735 7.466 1.00 0.00 C ATOM 768 O GLN C 53 20.427 -11.213 7.790 1.00 0.00 O ATOM 769 CB GLN C 53 23.479 -11.418 8.864 1.00 0.00 C ATOM 770 CG GLN C 53 24.624 -12.394 9.073 1.00 0.00 C ATOM 771 CD GLN C 53 24.148 -13.825 9.228 1.00 0.00 C ATOM 772 OE1 GLN C 53 23.882 -14.281 10.338 1.00 0.00 O ATOM 773 NE2 GLN C 53 24.044 -14.549 8.125 1.00 0.00 N ATOM 0 H GLN C 53 24.572 -10.755 6.748 1.00 0.00 H new ATOM 0 HA GLN C 53 22.533 -12.616 7.369 1.00 0.00 H new ATOM 0 HB2 GLN C 53 23.857 -10.400 8.961 1.00 0.00 H new ATOM 0 HB3 GLN C 53 22.742 -11.561 9.654 1.00 0.00 H new ATOM 0 HG2 GLN C 53 25.309 -12.332 8.227 1.00 0.00 H new ATOM 0 HG3 GLN C 53 25.187 -12.104 9.960 1.00 0.00 H new ATOM 0 HE21 GLN C 53 24.273 -14.137 7.221 1.00 0.00 H new ATOM 0 HE22 GLN C 53 23.734 -15.519 8.179 1.00 0.00 H new ATOM 782 N THR C 54 21.663 -9.496 7.020 1.00 0.00 N ATOM 783 CA THR C 54 20.538 -8.595 6.894 1.00 0.00 C ATOM 784 C THR C 54 19.690 -8.997 5.691 1.00 0.00 C ATOM 785 O THR C 54 18.465 -9.026 5.758 1.00 0.00 O ATOM 786 CB THR C 54 21.012 -7.137 6.735 1.00 0.00 C ATOM 787 OG1 THR C 54 21.978 -6.833 7.752 1.00 0.00 O ATOM 788 CG2 THR C 54 19.845 -6.166 6.832 1.00 0.00 C ATOM 0 H THR C 54 22.557 -9.094 6.739 1.00 0.00 H new ATOM 0 HA THR C 54 19.940 -8.662 7.803 1.00 0.00 H new ATOM 0 HB THR C 54 21.464 -7.029 5.749 1.00 0.00 H new ATOM 0 HG1 THR C 54 22.597 -6.148 7.421 1.00 0.00 H new ATOM 0 HG21 THR C 54 20.210 -5.146 6.716 1.00 0.00 H new ATOM 0 HG22 THR C 54 19.123 -6.385 6.045 1.00 0.00 H new ATOM 0 HG23 THR C 54 19.364 -6.271 7.805 1.00 0.00 H new ATOM 796 N VAL C 55 20.362 -9.362 4.606 1.00 0.00 N ATOM 797 CA VAL C 55 19.690 -9.753 3.371 1.00 0.00 C ATOM 798 C VAL C 55 19.003 -11.099 3.547 1.00 0.00 C ATOM 799 O VAL C 55 18.075 -11.442 2.824 1.00 0.00 O ATOM 800 CB VAL C 55 20.701 -9.832 2.187 1.00 0.00 C ATOM 801 CG1 VAL C 55 20.087 -10.409 0.906 1.00 0.00 C ATOM 802 CG2 VAL C 55 21.294 -8.465 1.910 1.00 0.00 C ATOM 0 H VAL C 55 21.380 -9.396 4.556 1.00 0.00 H new ATOM 0 HA VAL C 55 18.942 -8.994 3.141 1.00 0.00 H new ATOM 0 HB VAL C 55 21.487 -10.521 2.496 1.00 0.00 H new ATOM 0 HG11 VAL C 55 20.843 -10.437 0.121 1.00 0.00 H new ATOM 0 HG12 VAL C 55 19.726 -11.419 1.099 1.00 0.00 H new ATOM 0 HG13 VAL C 55 19.255 -9.781 0.587 1.00 0.00 H new ATOM 0 HG21 VAL C 55 21.998 -8.535 1.081 1.00 0.00 H new ATOM 0 HG22 VAL C 55 20.497 -7.768 1.651 1.00 0.00 H new ATOM 0 HG23 VAL C 55 21.814 -8.107 2.799 1.00 0.00 H new ATOM 812 N ALA C 56 19.449 -11.850 4.530 1.00 0.00 N ATOM 813 CA ALA C 56 18.884 -13.154 4.795 1.00 0.00 C ATOM 814 C ALA C 56 17.484 -13.029 5.366 1.00 0.00 C ATOM 815 O ALA C 56 16.603 -13.829 5.054 1.00 0.00 O ATOM 816 CB ALA C 56 19.781 -13.936 5.737 1.00 0.00 C ATOM 0 H ALA C 56 20.204 -11.579 5.160 1.00 0.00 H new ATOM 0 HA ALA C 56 18.816 -13.697 3.853 1.00 0.00 H new ATOM 0 HB1 ALA C 56 19.343 -14.916 5.927 1.00 0.00 H new ATOM 0 HB2 ALA C 56 20.764 -14.060 5.284 1.00 0.00 H new ATOM 0 HB3 ALA C 56 19.881 -13.394 6.678 1.00 0.00 H new ATOM 822 N VAL C 57 17.271 -12.014 6.189 1.00 0.00 N ATOM 823 CA VAL C 57 15.954 -11.821 6.794 1.00 0.00 C ATOM 824 C VAL C 57 15.143 -10.805 6.003 1.00 0.00 C ATOM 825 O VAL C 57 13.916 -10.860 5.972 1.00 0.00 O ATOM 826 CB VAL C 57 16.032 -11.339 8.257 1.00 0.00 C ATOM 827 CG1 VAL C 57 14.737 -11.651 8.991 1.00 0.00 C ATOM 828 CG2 VAL C 57 17.229 -11.945 8.974 1.00 0.00 C ATOM 0 H VAL C 57 17.973 -11.323 6.452 1.00 0.00 H new ATOM 0 HA VAL C 57 15.472 -12.798 6.777 1.00 0.00 H new ATOM 0 HB VAL C 57 16.168 -10.258 8.251 1.00 0.00 H new ATOM 0 HG11 VAL C 57 14.810 -11.304 10.022 1.00 0.00 H new ATOM 0 HG12 VAL C 57 13.907 -11.146 8.496 1.00 0.00 H new ATOM 0 HG13 VAL C 57 14.564 -12.727 8.982 1.00 0.00 H new ATOM 0 HG21 VAL C 57 17.257 -11.586 10.003 1.00 0.00 H new ATOM 0 HG22 VAL C 57 17.143 -13.032 8.971 1.00 0.00 H new ATOM 0 HG23 VAL C 57 18.146 -11.652 8.463 1.00 0.00 H new ATOM 838 N PHE C 58 15.836 -9.889 5.347 1.00 0.00 N ATOM 839 CA PHE C 58 15.175 -8.784 4.671 1.00 0.00 C ATOM 840 C PHE C 58 15.188 -8.975 3.163 1.00 0.00 C ATOM 841 O PHE C 58 14.945 -8.033 2.410 1.00 0.00 O ATOM 842 CB PHE C 58 15.839 -7.455 5.034 1.00 0.00 C ATOM 843 CG PHE C 58 15.614 -7.036 6.460 1.00 0.00 C ATOM 844 CD1 PHE C 58 14.575 -6.183 6.785 1.00 0.00 C ATOM 845 CD2 PHE C 58 16.440 -7.495 7.475 1.00 0.00 C ATOM 846 CE1 PHE C 58 14.361 -5.796 8.092 1.00 0.00 C ATOM 847 CE2 PHE C 58 16.232 -7.111 8.785 1.00 0.00 C ATOM 848 CZ PHE C 58 15.191 -6.260 9.093 1.00 0.00 C ATOM 0 H PHE C 58 16.853 -9.888 5.268 1.00 0.00 H new ATOM 0 HA PHE C 58 14.138 -8.765 5.006 1.00 0.00 H new ATOM 0 HB2 PHE C 58 16.911 -7.533 4.853 1.00 0.00 H new ATOM 0 HB3 PHE C 58 15.460 -6.677 4.372 1.00 0.00 H new ATOM 0 HD1 PHE C 58 13.923 -5.815 6.006 1.00 0.00 H new ATOM 0 HD2 PHE C 58 17.256 -8.161 7.238 1.00 0.00 H new ATOM 0 HE1 PHE C 58 13.545 -5.131 8.332 1.00 0.00 H new ATOM 0 HE2 PHE C 58 16.882 -7.476 9.566 1.00 0.00 H new ATOM 0 HZ PHE C 58 15.025 -5.957 10.116 1.00 0.00 H new ATOM 858 N LYS C 59 15.489 -10.194 2.737 1.00 0.00 N ATOM 859 CA LYS C 59 15.479 -10.557 1.318 1.00 0.00 C ATOM 860 C LYS C 59 14.164 -10.166 0.635 1.00 0.00 C ATOM 861 O LYS C 59 13.094 -10.668 0.980 1.00 0.00 O ATOM 862 CB LYS C 59 15.726 -12.058 1.153 1.00 0.00 C ATOM 863 CG LYS C 59 14.803 -12.935 1.984 1.00 0.00 C ATOM 864 CD LYS C 59 15.034 -14.408 1.698 1.00 0.00 C ATOM 865 CE LYS C 59 14.087 -15.285 2.498 1.00 0.00 C ATOM 866 NZ LYS C 59 14.238 -16.721 2.149 1.00 0.00 N ATOM 0 H LYS C 59 15.747 -10.960 3.359 1.00 0.00 H new ATOM 0 HA LYS C 59 16.282 -10.001 0.835 1.00 0.00 H new ATOM 0 HB2 LYS C 59 15.610 -12.321 0.102 1.00 0.00 H new ATOM 0 HB3 LYS C 59 16.759 -12.277 1.424 1.00 0.00 H new ATOM 0 HG2 LYS C 59 14.968 -12.738 3.043 1.00 0.00 H new ATOM 0 HG3 LYS C 59 13.765 -12.679 1.770 1.00 0.00 H new ATOM 0 HD2 LYS C 59 14.897 -14.599 0.634 1.00 0.00 H new ATOM 0 HD3 LYS C 59 16.064 -14.669 1.939 1.00 0.00 H new ATOM 0 HE2 LYS C 59 14.276 -15.148 3.563 1.00 0.00 H new ATOM 0 HE3 LYS C 59 13.059 -14.972 2.314 1.00 0.00 H new ATOM 0 HZ1 LYS C 59 13.575 -17.288 2.716 1.00 0.00 H new ATOM 0 HZ2 LYS C 59 14.033 -16.856 1.138 1.00 0.00 H new ATOM 0 HZ3 LYS C 59 15.212 -17.026 2.348 1.00 0.00 H new ATOM 880 N PRO C 60 14.225 -9.232 -0.322 1.00 0.00 N ATOM 881 CA PRO C 60 13.093 -8.822 -1.119 1.00 0.00 C ATOM 882 C PRO C 60 13.152 -9.437 -2.517 1.00 0.00 C ATOM 883 O PRO C 60 13.728 -10.507 -2.710 1.00 0.00 O ATOM 884 CB PRO C 60 13.308 -7.310 -1.176 1.00 0.00 C ATOM 885 CG PRO C 60 14.796 -7.116 -1.091 1.00 0.00 C ATOM 886 CD PRO C 60 15.400 -8.449 -0.708 1.00 0.00 C ATOM 0 HA PRO C 60 12.126 -9.126 -0.718 1.00 0.00 H new ATOM 0 HB2 PRO C 60 12.909 -6.891 -2.100 1.00 0.00 H new ATOM 0 HB3 PRO C 60 12.799 -6.809 -0.353 1.00 0.00 H new ATOM 0 HG2 PRO C 60 15.194 -6.773 -2.046 1.00 0.00 H new ATOM 0 HG3 PRO C 60 15.043 -6.355 -0.351 1.00 0.00 H new ATOM 0 HD2 PRO C 60 15.936 -8.905 -1.540 1.00 0.00 H new ATOM 0 HD3 PRO C 60 16.110 -8.352 0.113 1.00 0.00 H new ATOM 894 N GLU C 61 12.573 -8.753 -3.488 1.00 0.00 N ATOM 895 CA GLU C 61 12.565 -9.228 -4.866 1.00 0.00 C ATOM 896 C GLU C 61 12.832 -8.076 -5.816 1.00 0.00 C ATOM 897 O GLU C 61 12.369 -6.956 -5.591 1.00 0.00 O ATOM 898 CB GLU C 61 11.226 -9.878 -5.218 1.00 0.00 C ATOM 899 CG GLU C 61 10.937 -11.155 -4.451 1.00 0.00 C ATOM 900 CD GLU C 61 9.705 -11.863 -4.965 1.00 0.00 C ATOM 901 OE1 GLU C 61 9.847 -12.927 -5.605 1.00 0.00 O ATOM 902 OE2 GLU C 61 8.587 -11.355 -4.747 1.00 0.00 O ATOM 0 H GLU C 61 12.099 -7.861 -3.349 1.00 0.00 H new ATOM 0 HA GLU C 61 13.351 -9.976 -4.967 1.00 0.00 H new ATOM 0 HB2 GLU C 61 10.426 -9.163 -5.027 1.00 0.00 H new ATOM 0 HB3 GLU C 61 11.210 -10.097 -6.286 1.00 0.00 H new ATOM 0 HG2 GLU C 61 11.795 -11.823 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU C 61 10.805 -10.920 -3.395 1.00 0.00 H new ATOM 909 N VAL C 62 13.569 -8.353 -6.879 1.00 0.00 N ATOM 910 CA VAL C 62 13.918 -7.339 -7.843 1.00 0.00 C ATOM 911 C VAL C 62 12.752 -7.104 -8.789 1.00 0.00 C ATOM 912 O VAL C 62 12.270 -8.006 -9.476 1.00 0.00 O ATOM 913 CB VAL C 62 15.202 -7.692 -8.630 1.00 0.00 C ATOM 914 CG1 VAL C 62 16.370 -7.882 -7.677 1.00 0.00 C ATOM 915 CG2 VAL C 62 15.009 -8.933 -9.483 1.00 0.00 C ATOM 0 H VAL C 62 13.936 -9.281 -7.091 1.00 0.00 H new ATOM 0 HA VAL C 62 14.130 -6.420 -7.296 1.00 0.00 H new ATOM 0 HB VAL C 62 15.422 -6.860 -9.299 1.00 0.00 H new ATOM 0 HG11 VAL C 62 17.267 -8.130 -8.245 1.00 0.00 H new ATOM 0 HG12 VAL C 62 16.537 -6.961 -7.119 1.00 0.00 H new ATOM 0 HG13 VAL C 62 16.145 -8.692 -6.983 1.00 0.00 H new ATOM 0 HG21 VAL C 62 15.931 -9.151 -10.022 1.00 0.00 H new ATOM 0 HG22 VAL C 62 14.754 -9.778 -8.844 1.00 0.00 H new ATOM 0 HG23 VAL C 62 14.203 -8.762 -10.197 1.00 0.00 H new ATOM 925 N GLY C 63 12.277 -5.891 -8.768 1.00 0.00 N ATOM 926 CA GLY C 63 11.132 -5.517 -9.567 1.00 0.00 C ATOM 927 C GLY C 63 9.935 -5.170 -8.707 1.00 0.00 C ATOM 928 O GLY C 63 8.996 -4.520 -9.172 1.00 0.00 O ATOM 0 H GLY C 63 12.665 -5.135 -8.203 1.00 0.00 H new ATOM 0 HA2 GLY C 63 11.389 -4.663 -10.193 1.00 0.00 H new ATOM 0 HA3 GLY C 63 10.873 -6.337 -10.237 1.00 0.00 H new ATOM 932 N GLY C 64 9.969 -5.603 -7.450 1.00 0.00 N ATOM 933 CA GLY C 64 8.899 -5.296 -6.527 1.00 0.00 C ATOM 934 C GLY C 64 9.150 -3.994 -5.797 1.00 0.00 C ATOM 935 O GLY C 64 9.881 -3.131 -6.289 1.00 0.00 O ATOM 0 H GLY C 64 10.724 -6.164 -7.056 1.00 0.00 H new ATOM 0 HA2 GLY C 64 7.956 -5.234 -7.070 1.00 0.00 H new ATOM 0 HA3 GLY C 64 8.798 -6.106 -5.804 1.00 0.00 H new ATOM 939 N TYR C 65 8.567 -3.845 -4.619 1.00 0.00 N ATOM 940 CA TYR C 65 8.721 -2.607 -3.870 1.00 0.00 C ATOM 941 C TYR C 65 9.321 -2.846 -2.486 1.00 0.00 C ATOM 942 O TYR C 65 9.110 -3.891 -1.869 1.00 0.00 O ATOM 943 CB TYR C 65 7.380 -1.879 -3.748 1.00 0.00 C ATOM 944 CG TYR C 65 6.977 -1.122 -4.995 1.00 0.00 C ATOM 945 CD1 TYR C 65 6.190 -1.714 -5.976 1.00 0.00 C ATOM 946 CD2 TYR C 65 7.381 0.192 -5.187 1.00 0.00 C ATOM 947 CE1 TYR C 65 5.820 -1.015 -7.111 1.00 0.00 C ATOM 948 CE2 TYR C 65 7.016 0.895 -6.318 1.00 0.00 C ATOM 949 CZ TYR C 65 6.237 0.289 -7.275 1.00 0.00 C ATOM 950 OH TYR C 65 5.871 0.990 -8.404 1.00 0.00 O ATOM 0 H TYR C 65 7.991 -4.554 -4.165 1.00 0.00 H new ATOM 0 HA TYR C 65 9.417 -1.979 -4.426 1.00 0.00 H new ATOM 0 HB2 TYR C 65 6.604 -2.606 -3.509 1.00 0.00 H new ATOM 0 HB3 TYR C 65 7.431 -1.181 -2.912 1.00 0.00 H new ATOM 0 HD1 TYR C 65 5.862 -2.735 -5.850 1.00 0.00 H new ATOM 0 HD2 TYR C 65 7.992 0.673 -4.438 1.00 0.00 H new ATOM 0 HE1 TYR C 65 5.208 -1.488 -7.865 1.00 0.00 H new ATOM 0 HE2 TYR C 65 7.341 1.916 -6.450 1.00 0.00 H new ATOM 0 HH TYR C 65 6.246 1.894 -8.363 1.00 0.00 H new ATOM 960 N LEU C 66 10.097 -1.874 -2.041 1.00 0.00 N ATOM 961 CA LEU C 66 10.634 -1.828 -0.691 1.00 0.00 C ATOM 962 C LEU C 66 10.012 -0.608 -0.020 1.00 0.00 C ATOM 963 O LEU C 66 9.912 0.441 -0.645 1.00 0.00 O ATOM 964 CB LEU C 66 12.164 -1.683 -0.752 1.00 0.00 C ATOM 965 CG LEU C 66 12.977 -2.259 0.422 1.00 0.00 C ATOM 966 CD1 LEU C 66 12.614 -1.594 1.741 1.00 0.00 C ATOM 967 CD2 LEU C 66 12.801 -3.768 0.513 1.00 0.00 C ATOM 0 H LEU C 66 10.377 -1.080 -2.617 1.00 0.00 H new ATOM 0 HA LEU C 66 10.405 -2.737 -0.134 1.00 0.00 H new ATOM 0 HB2 LEU C 66 12.511 -2.160 -1.669 1.00 0.00 H new ATOM 0 HB3 LEU C 66 12.399 -0.622 -0.836 1.00 0.00 H new ATOM 0 HG LEU C 66 14.028 -2.044 0.226 1.00 0.00 H new ATOM 0 HD11 LEU C 66 13.210 -2.029 2.544 1.00 0.00 H new ATOM 0 HD12 LEU C 66 12.816 -0.525 1.677 1.00 0.00 H new ATOM 0 HD13 LEU C 66 11.556 -1.751 1.949 1.00 0.00 H new ATOM 0 HD21 LEU C 66 13.385 -4.153 1.349 1.00 0.00 H new ATOM 0 HD22 LEU C 66 11.748 -4.003 0.667 1.00 0.00 H new ATOM 0 HD23 LEU C 66 13.144 -4.231 -0.412 1.00 0.00 H new ATOM 979 N PHE C 67 9.570 -0.720 1.214 1.00 0.00 N ATOM 980 CA PHE C 67 8.885 0.406 1.832 1.00 0.00 C ATOM 981 C PHE C 67 9.562 0.871 3.105 1.00 0.00 C ATOM 982 O PHE C 67 10.326 0.132 3.718 1.00 0.00 O ATOM 983 CB PHE C 67 7.426 0.066 2.111 1.00 0.00 C ATOM 984 CG PHE C 67 7.206 -1.081 3.052 1.00 0.00 C ATOM 985 CD1 PHE C 67 7.067 -0.865 4.412 1.00 0.00 C ATOM 986 CD2 PHE C 67 7.109 -2.369 2.567 1.00 0.00 C ATOM 987 CE1 PHE C 67 6.836 -1.919 5.274 1.00 0.00 C ATOM 988 CE2 PHE C 67 6.883 -3.429 3.422 1.00 0.00 C ATOM 989 CZ PHE C 67 6.744 -3.203 4.778 1.00 0.00 C ATOM 0 H PHE C 67 9.666 -1.550 1.799 1.00 0.00 H new ATOM 0 HA PHE C 67 8.933 1.228 1.118 1.00 0.00 H new ATOM 0 HB2 PHE C 67 6.935 0.949 2.520 1.00 0.00 H new ATOM 0 HB3 PHE C 67 6.935 -0.162 1.165 1.00 0.00 H new ATOM 0 HD1 PHE C 67 7.140 0.139 4.803 1.00 0.00 H new ATOM 0 HD2 PHE C 67 7.211 -2.550 1.507 1.00 0.00 H new ATOM 0 HE1 PHE C 67 6.728 -1.739 6.333 1.00 0.00 H new ATOM 0 HE2 PHE C 67 6.815 -4.434 3.032 1.00 0.00 H new ATOM 0 HZ PHE C 67 6.564 -4.030 5.449 1.00 0.00 H new ATOM 999 N ARG C 68 9.274 2.108 3.488 1.00 0.00 N ATOM 1000 CA ARG C 68 9.763 2.665 4.737 1.00 0.00 C ATOM 1001 C ARG C 68 8.630 3.388 5.447 1.00 0.00 C ATOM 1002 O ARG C 68 7.953 4.231 4.850 1.00 0.00 O ATOM 1003 CB ARG C 68 10.920 3.632 4.487 1.00 0.00 C ATOM 1004 CG ARG C 68 11.480 4.233 5.765 1.00 0.00 C ATOM 1005 CD ARG C 68 12.430 5.381 5.475 1.00 0.00 C ATOM 1006 NE ARG C 68 11.768 6.458 4.739 1.00 0.00 N ATOM 1007 CZ ARG C 68 11.322 7.583 5.295 1.00 0.00 C ATOM 1008 NH1 ARG C 68 11.464 7.794 6.598 1.00 0.00 N ATOM 1009 NH2 ARG C 68 10.726 8.499 4.543 1.00 0.00 N ATOM 0 H ARG C 68 8.697 2.749 2.943 1.00 0.00 H new ATOM 0 HA ARG C 68 10.128 1.850 5.362 1.00 0.00 H new ATOM 0 HB2 ARG C 68 11.717 3.107 3.960 1.00 0.00 H new ATOM 0 HB3 ARG C 68 10.580 4.435 3.833 1.00 0.00 H new ATOM 0 HG2 ARG C 68 10.661 4.588 6.390 1.00 0.00 H new ATOM 0 HG3 ARG C 68 12.003 3.462 6.331 1.00 0.00 H new ATOM 0 HD2 ARG C 68 12.826 5.771 6.412 1.00 0.00 H new ATOM 0 HD3 ARG C 68 13.279 5.014 4.898 1.00 0.00 H new ATOM 0 HE ARG C 68 11.640 6.340 3.734 1.00 0.00 H new ATOM 0 HH11 ARG C 68 11.918 7.092 7.182 1.00 0.00 H new ATOM 0 HH12 ARG C 68 11.119 8.659 7.015 1.00 0.00 H new ATOM 0 HH21 ARG C 68 10.610 8.341 3.542 1.00 0.00 H new ATOM 0 HH22 ARG C 68 10.383 9.362 4.966 1.00 0.00 H new ATOM 1023 N SER C 69 8.415 3.055 6.709 1.00 0.00 N ATOM 1024 CA SER C 69 7.334 3.658 7.471 1.00 0.00 C ATOM 1025 C SER C 69 7.862 4.718 8.436 1.00 0.00 C ATOM 1026 O SER C 69 9.038 5.085 8.386 1.00 0.00 O ATOM 1027 CB SER C 69 6.563 2.582 8.233 1.00 0.00 C ATOM 1028 OG SER C 69 7.391 1.948 9.185 1.00 0.00 O ATOM 0 H SER C 69 8.972 2.374 7.225 1.00 0.00 H new ATOM 0 HA SER C 69 6.659 4.149 6.771 1.00 0.00 H new ATOM 0 HB2 SER C 69 5.704 3.030 8.733 1.00 0.00 H new ATOM 0 HB3 SER C 69 6.175 1.842 7.533 1.00 0.00 H new ATOM 0 HG SER C 69 6.852 1.344 9.737 1.00 0.00 H new ATOM 1034 N GLN C 70 6.993 5.190 9.323 1.00 0.00 N ATOM 1035 CA GLN C 70 7.326 6.280 10.234 1.00 0.00 C ATOM 1036 C GLN C 70 8.423 5.872 11.215 1.00 0.00 C ATOM 1037 O GLN C 70 9.387 6.609 11.419 1.00 0.00 O ATOM 1038 CB GLN C 70 6.083 6.720 11.005 1.00 0.00 C ATOM 1039 CG GLN C 70 4.884 7.002 10.117 1.00 0.00 C ATOM 1040 CD GLN C 70 3.680 7.484 10.899 1.00 0.00 C ATOM 1041 OE1 GLN C 70 2.891 6.547 11.400 1.00 0.00 O flip ATOM 1042 NE2 GLN C 70 3.473 8.684 11.066 1.00 0.00 N flip ATOM 0 H GLN C 70 6.044 4.831 9.431 1.00 0.00 H new ATOM 0 HA GLN C 70 7.697 7.112 9.635 1.00 0.00 H new ATOM 0 HB2 GLN C 70 5.818 5.944 11.723 1.00 0.00 H new ATOM 0 HB3 GLN C 70 6.319 7.617 11.577 1.00 0.00 H new ATOM 0 HG2 GLN C 70 5.155 7.753 9.375 1.00 0.00 H new ATOM 0 HG3 GLN C 70 4.619 6.096 9.572 1.00 0.00 H new ATOM 0 HE21 GLN C 70 4.108 9.372 10.661 1.00 0.00 H new ATOM 0 HE22 GLN C 70 2.666 8.992 11.609 1.00 0.00 H new ATOM 1051 N TYR C 71 8.284 4.687 11.798 1.00 0.00 N ATOM 1052 CA TYR C 71 9.233 4.210 12.804 1.00 0.00 C ATOM 1053 C TYR C 71 10.469 3.607 12.153 1.00 0.00 C ATOM 1054 O TYR C 71 11.217 2.853 12.780 1.00 0.00 O ATOM 1055 CB TYR C 71 8.574 3.178 13.723 1.00 0.00 C ATOM 1056 CG TYR C 71 7.565 3.769 14.682 1.00 0.00 C ATOM 1057 CD1 TYR C 71 7.695 3.592 16.051 1.00 0.00 C ATOM 1058 CD2 TYR C 71 6.487 4.507 14.216 1.00 0.00 C ATOM 1059 CE1 TYR C 71 6.775 4.129 16.931 1.00 0.00 C ATOM 1060 CE2 TYR C 71 5.562 5.050 15.087 1.00 0.00 C ATOM 1061 CZ TYR C 71 5.710 4.856 16.443 1.00 0.00 C ATOM 1062 OH TYR C 71 4.789 5.391 17.316 1.00 0.00 O ATOM 0 H TYR C 71 7.525 4.037 11.593 1.00 0.00 H new ATOM 0 HA TYR C 71 9.541 5.070 13.399 1.00 0.00 H new ATOM 0 HB2 TYR C 71 8.080 2.423 13.111 1.00 0.00 H new ATOM 0 HB3 TYR C 71 9.349 2.668 14.295 1.00 0.00 H new ATOM 0 HD1 TYR C 71 8.530 3.025 16.436 1.00 0.00 H new ATOM 0 HD2 TYR C 71 6.369 4.660 13.153 1.00 0.00 H new ATOM 0 HE1 TYR C 71 6.889 3.980 17.995 1.00 0.00 H new ATOM 0 HE2 TYR C 71 4.729 5.623 14.707 1.00 0.00 H new ATOM 0 HH TYR C 71 4.102 5.875 16.811 1.00 0.00 H new ATOM 1072 N GLY C 72 10.670 3.942 10.890 1.00 0.00 N ATOM 1073 CA GLY C 72 11.832 3.469 10.169 1.00 0.00 C ATOM 1074 C GLY C 72 11.767 1.985 9.885 1.00 0.00 C ATOM 1075 O GLY C 72 12.787 1.296 9.891 1.00 0.00 O ATOM 0 H GLY C 72 10.045 4.537 10.347 1.00 0.00 H new ATOM 0 HA2 GLY C 72 11.919 4.013 9.229 1.00 0.00 H new ATOM 0 HA3 GLY C 72 12.729 3.687 10.748 1.00 0.00 H new ATOM 1079 N GLU C 73 10.563 1.487 9.653 1.00 0.00 N ATOM 1080 CA GLU C 73 10.374 0.084 9.329 1.00 0.00 C ATOM 1081 C GLU C 73 10.459 -0.102 7.826 1.00 0.00 C ATOM 1082 O GLU C 73 9.735 0.548 7.073 1.00 0.00 O ATOM 1083 CB GLU C 73 9.018 -0.410 9.829 1.00 0.00 C ATOM 1084 CG GLU C 73 8.749 -0.092 11.288 1.00 0.00 C ATOM 1085 CD GLU C 73 7.362 -0.515 11.716 1.00 0.00 C ATOM 1086 OE1 GLU C 73 6.386 0.176 11.351 1.00 0.00 O ATOM 1087 OE2 GLU C 73 7.242 -1.547 12.410 1.00 0.00 O ATOM 0 H GLU C 73 9.703 2.034 9.683 1.00 0.00 H new ATOM 0 HA GLU C 73 11.156 -0.496 9.820 1.00 0.00 H new ATOM 0 HB2 GLU C 73 8.232 0.036 9.219 1.00 0.00 H new ATOM 0 HB3 GLU C 73 8.960 -1.489 9.685 1.00 0.00 H new ATOM 0 HG2 GLU C 73 9.489 -0.595 11.911 1.00 0.00 H new ATOM 0 HG3 GLU C 73 8.868 0.979 11.453 1.00 0.00 H new ATOM 1094 N LEU C 74 11.354 -0.966 7.395 1.00 0.00 N ATOM 1095 CA LEU C 74 11.520 -1.241 5.982 1.00 0.00 C ATOM 1096 C LEU C 74 11.524 -2.741 5.737 1.00 0.00 C ATOM 1097 O LEU C 74 12.208 -3.495 6.428 1.00 0.00 O ATOM 1098 CB LEU C 74 12.802 -0.604 5.428 1.00 0.00 C ATOM 1099 CG LEU C 74 14.096 -1.047 6.100 1.00 0.00 C ATOM 1100 CD1 LEU C 74 15.281 -0.812 5.176 1.00 0.00 C ATOM 1101 CD2 LEU C 74 14.299 -0.296 7.408 1.00 0.00 C ATOM 0 H LEU C 74 11.980 -1.492 8.005 1.00 0.00 H new ATOM 0 HA LEU C 74 10.677 -0.796 5.454 1.00 0.00 H new ATOM 0 HB2 LEU C 74 12.869 -0.830 4.364 1.00 0.00 H new ATOM 0 HB3 LEU C 74 12.718 0.479 5.519 1.00 0.00 H new ATOM 0 HG LEU C 74 14.024 -2.113 6.315 1.00 0.00 H new ATOM 0 HD11 LEU C 74 16.198 -1.134 5.671 1.00 0.00 H new ATOM 0 HD12 LEU C 74 15.145 -1.383 4.257 1.00 0.00 H new ATOM 0 HD13 LEU C 74 15.351 0.249 4.937 1.00 0.00 H new ATOM 0 HD21 LEU C 74 15.227 -0.624 7.876 1.00 0.00 H new ATOM 0 HD22 LEU C 74 14.351 0.774 7.209 1.00 0.00 H new ATOM 0 HD23 LEU C 74 13.464 -0.500 8.078 1.00 0.00 H new ATOM 1113 N LEU C 75 10.749 -3.153 4.754 1.00 0.00 N ATOM 1114 CA LEU C 75 10.559 -4.563 4.433 1.00 0.00 C ATOM 1115 C LEU C 75 10.200 -4.711 2.960 1.00 0.00 C ATOM 1116 O LEU C 75 10.226 -3.737 2.208 1.00 0.00 O ATOM 1117 CB LEU C 75 9.436 -5.172 5.286 1.00 0.00 C ATOM 1118 CG LEU C 75 9.723 -5.313 6.784 1.00 0.00 C ATOM 1119 CD1 LEU C 75 8.456 -5.720 7.522 1.00 0.00 C ATOM 1120 CD2 LEU C 75 10.823 -6.335 7.025 1.00 0.00 C ATOM 0 H LEU C 75 10.228 -2.519 4.148 1.00 0.00 H new ATOM 0 HA LEU C 75 11.489 -5.089 4.646 1.00 0.00 H new ATOM 0 HB2 LEU C 75 8.543 -4.559 5.165 1.00 0.00 H new ATOM 0 HB3 LEU C 75 9.201 -6.159 4.888 1.00 0.00 H new ATOM 0 HG LEU C 75 10.060 -4.349 7.165 1.00 0.00 H new ATOM 0 HD11 LEU C 75 8.670 -5.818 8.586 1.00 0.00 H new ATOM 0 HD12 LEU C 75 7.689 -4.960 7.375 1.00 0.00 H new ATOM 0 HD13 LEU C 75 8.100 -6.675 7.134 1.00 0.00 H new ATOM 0 HD21 LEU C 75 11.012 -6.421 8.095 1.00 0.00 H new ATOM 0 HD22 LEU C 75 10.512 -7.303 6.633 1.00 0.00 H new ATOM 0 HD23 LEU C 75 11.734 -6.015 6.520 1.00 0.00 H new ATOM 1132 N TYR C 76 9.822 -5.916 2.569 1.00 0.00 N ATOM 1133 CA TYR C 76 9.469 -6.206 1.187 1.00 0.00 C ATOM 1134 C TYR C 76 7.973 -6.016 0.975 1.00 0.00 C ATOM 1135 O TYR C 76 7.159 -6.448 1.796 1.00 0.00 O ATOM 1136 CB TYR C 76 9.891 -7.642 0.845 1.00 0.00 C ATOM 1137 CG TYR C 76 9.093 -8.285 -0.268 1.00 0.00 C ATOM 1138 CD1 TYR C 76 8.065 -9.170 0.027 1.00 0.00 C ATOM 1139 CD2 TYR C 76 9.364 -8.013 -1.603 1.00 0.00 C ATOM 1140 CE1 TYR C 76 7.329 -9.767 -0.973 1.00 0.00 C ATOM 1141 CE2 TYR C 76 8.629 -8.607 -2.611 1.00 0.00 C ATOM 1142 CZ TYR C 76 7.611 -9.483 -2.289 1.00 0.00 C ATOM 1143 OH TYR C 76 6.878 -10.084 -3.287 1.00 0.00 O ATOM 0 H TYR C 76 9.751 -6.718 3.195 1.00 0.00 H new ATOM 0 HA TYR C 76 9.993 -5.517 0.525 1.00 0.00 H new ATOM 0 HB2 TYR C 76 10.944 -7.640 0.565 1.00 0.00 H new ATOM 0 HB3 TYR C 76 9.801 -8.256 1.741 1.00 0.00 H new ATOM 0 HD1 TYR C 76 7.838 -9.395 1.059 1.00 0.00 H new ATOM 0 HD2 TYR C 76 10.160 -7.328 -1.856 1.00 0.00 H new ATOM 0 HE1 TYR C 76 6.534 -10.455 -0.725 1.00 0.00 H new ATOM 0 HE2 TYR C 76 8.849 -8.387 -3.645 1.00 0.00 H new ATOM 0 HH TYR C 76 7.438 -10.194 -4.084 1.00 0.00 H new ATOM 1153 N MET C 77 7.608 -5.364 -0.122 1.00 0.00 N ATOM 1154 CA MET C 77 6.210 -5.091 -0.401 1.00 0.00 C ATOM 1155 C MET C 77 5.661 -6.024 -1.471 1.00 0.00 C ATOM 1156 O MET C 77 6.144 -6.040 -2.611 1.00 0.00 O ATOM 1157 CB MET C 77 6.003 -3.649 -0.863 1.00 0.00 C ATOM 1158 CG MET C 77 4.541 -3.223 -0.864 1.00 0.00 C ATOM 1159 SD MET C 77 4.095 -2.209 -2.290 1.00 0.00 S ATOM 1160 CE MET C 77 4.058 -3.444 -3.589 1.00 0.00 C ATOM 0 H MET C 77 8.259 -5.018 -0.827 1.00 0.00 H new ATOM 0 HA MET C 77 5.673 -5.255 0.533 1.00 0.00 H new ATOM 0 HB2 MET C 77 6.569 -2.981 -0.213 1.00 0.00 H new ATOM 0 HB3 MET C 77 6.409 -3.535 -1.868 1.00 0.00 H new ATOM 0 HG2 MET C 77 3.910 -4.112 -0.847 1.00 0.00 H new ATOM 0 HG3 MET C 77 4.331 -2.666 0.049 1.00 0.00 H new ATOM 0 HE1 MET C 77 3.991 -2.950 -4.559 1.00 0.00 H new ATOM 0 HE2 MET C 77 4.968 -4.042 -3.549 1.00 0.00 H new ATOM 0 HE3 MET C 77 3.192 -4.092 -3.451 1.00 0.00 H new ATOM 1170 N SER C 78 4.670 -6.809 -1.075 1.00 0.00 N ATOM 1171 CA SER C 78 3.845 -7.571 -1.998 1.00 0.00 C ATOM 1172 C SER C 78 2.473 -6.899 -2.081 1.00 0.00 C ATOM 1173 O SER C 78 2.312 -5.799 -1.554 1.00 0.00 O ATOM 1174 CB SER C 78 3.723 -9.014 -1.507 1.00 0.00 C ATOM 1175 OG SER C 78 3.345 -9.050 -0.137 1.00 0.00 O ATOM 0 H SER C 78 4.414 -6.935 -0.096 1.00 0.00 H new ATOM 0 HA SER C 78 4.295 -7.593 -2.990 1.00 0.00 H new ATOM 0 HB2 SER C 78 2.985 -9.546 -2.107 1.00 0.00 H new ATOM 0 HB3 SER C 78 4.674 -9.530 -1.640 1.00 0.00 H new ATOM 0 HG SER C 78 2.433 -9.399 -0.058 1.00 0.00 H new ATOM 1181 N LYS C 79 1.478 -7.519 -2.705 1.00 0.00 N ATOM 1182 CA LYS C 79 0.163 -6.884 -2.763 1.00 0.00 C ATOM 1183 C LYS C 79 -0.568 -7.019 -1.434 1.00 0.00 C ATOM 1184 O LYS C 79 -1.342 -6.140 -1.055 1.00 0.00 O ATOM 1185 CB LYS C 79 -0.707 -7.418 -3.898 1.00 0.00 C ATOM 1186 CG LYS C 79 -0.960 -8.915 -3.848 1.00 0.00 C ATOM 1187 CD LYS C 79 -1.920 -9.355 -4.941 1.00 0.00 C ATOM 1188 CE LYS C 79 -1.304 -9.220 -6.322 1.00 0.00 C ATOM 1189 NZ LYS C 79 -0.152 -10.142 -6.505 1.00 0.00 N ATOM 0 H LYS C 79 1.548 -8.428 -3.163 1.00 0.00 H new ATOM 0 HA LYS C 79 0.345 -5.829 -2.967 1.00 0.00 H new ATOM 0 HB2 LYS C 79 -1.666 -6.900 -3.879 1.00 0.00 H new ATOM 0 HB3 LYS C 79 -0.232 -7.174 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS C 79 -0.016 -9.448 -3.956 1.00 0.00 H new ATOM 0 HG3 LYS C 79 -1.369 -9.184 -2.874 1.00 0.00 H new ATOM 0 HD2 LYS C 79 -2.211 -10.392 -4.773 1.00 0.00 H new ATOM 0 HD3 LYS C 79 -2.829 -8.756 -4.889 1.00 0.00 H new ATOM 0 HE2 LYS C 79 -2.060 -9.428 -7.079 1.00 0.00 H new ATOM 0 HE3 LYS C 79 -0.975 -8.192 -6.474 1.00 0.00 H new ATOM 0 HZ1 LYS C 79 0.091 -10.198 -7.515 1.00 0.00 H new ATOM 0 HZ2 LYS C 79 0.666 -9.786 -5.971 1.00 0.00 H new ATOM 0 HZ3 LYS C 79 -0.406 -11.089 -6.158 1.00 0.00 H new ATOM 1203 N THR C 80 -0.306 -8.105 -0.716 1.00 0.00 N ATOM 1204 CA THR C 80 -0.847 -8.276 0.621 1.00 0.00 C ATOM 1205 C THR C 80 -0.352 -7.155 1.528 1.00 0.00 C ATOM 1206 O THR C 80 -1.040 -6.717 2.452 1.00 0.00 O ATOM 1207 CB THR C 80 -0.443 -9.639 1.200 1.00 0.00 C ATOM 1208 OG1 THR C 80 0.934 -9.911 0.893 1.00 0.00 O ATOM 1209 CG2 THR C 80 -1.324 -10.748 0.649 1.00 0.00 C ATOM 0 H THR C 80 0.277 -8.877 -1.039 1.00 0.00 H new ATOM 0 HA THR C 80 -1.935 -8.236 0.563 1.00 0.00 H new ATOM 0 HB THR C 80 -0.574 -9.604 2.282 1.00 0.00 H new ATOM 0 HG1 THR C 80 1.187 -10.781 1.266 1.00 0.00 H new ATOM 0 HG21 THR C 80 -1.016 -11.703 1.075 1.00 0.00 H new ATOM 0 HG22 THR C 80 -2.363 -10.551 0.912 1.00 0.00 H new ATOM 0 HG23 THR C 80 -1.225 -10.786 -0.436 1.00 0.00 H new ATOM 1217 N ALA C 81 0.854 -6.690 1.239 1.00 0.00 N ATOM 1218 CA ALA C 81 1.426 -5.548 1.924 1.00 0.00 C ATOM 1219 C ALA C 81 0.847 -4.259 1.365 1.00 0.00 C ATOM 1220 O ALA C 81 0.559 -3.322 2.108 1.00 0.00 O ATOM 1221 CB ALA C 81 2.930 -5.552 1.769 1.00 0.00 C ATOM 0 H ALA C 81 1.460 -7.094 0.525 1.00 0.00 H new ATOM 0 HA ALA C 81 1.180 -5.613 2.984 1.00 0.00 H new ATOM 0 HB1 ALA C 81 3.351 -4.690 2.287 1.00 0.00 H new ATOM 0 HB2 ALA C 81 3.337 -6.468 2.197 1.00 0.00 H new ATOM 0 HB3 ALA C 81 3.187 -5.501 0.711 1.00 0.00 H new ATOM 1227 N PHE C 82 0.674 -4.231 0.044 1.00 0.00 N ATOM 1228 CA PHE C 82 0.118 -3.072 -0.643 1.00 0.00 C ATOM 1229 C PHE C 82 -1.250 -2.722 -0.070 1.00 0.00 C ATOM 1230 O PHE C 82 -1.576 -1.566 0.108 1.00 0.00 O ATOM 1231 CB PHE C 82 0.010 -3.334 -2.148 1.00 0.00 C ATOM 1232 CG PHE C 82 -0.381 -2.120 -2.945 1.00 0.00 C ATOM 1233 CD1 PHE C 82 -1.700 -1.910 -3.318 1.00 0.00 C ATOM 1234 CD2 PHE C 82 0.573 -1.185 -3.315 1.00 0.00 C ATOM 1235 CE1 PHE C 82 -2.058 -0.791 -4.046 1.00 0.00 C ATOM 1236 CE2 PHE C 82 0.220 -0.065 -4.043 1.00 0.00 C ATOM 1237 CZ PHE C 82 -1.097 0.132 -4.409 1.00 0.00 C ATOM 0 H PHE C 82 0.914 -5.006 -0.574 1.00 0.00 H new ATOM 0 HA PHE C 82 0.790 -2.228 -0.488 1.00 0.00 H new ATOM 0 HB2 PHE C 82 0.968 -3.705 -2.513 1.00 0.00 H new ATOM 0 HB3 PHE C 82 -0.723 -4.122 -2.319 1.00 0.00 H new ATOM 0 HD1 PHE C 82 -2.456 -2.629 -3.037 1.00 0.00 H new ATOM 0 HD2 PHE C 82 1.604 -1.334 -3.031 1.00 0.00 H new ATOM 0 HE1 PHE C 82 -3.089 -0.639 -4.331 1.00 0.00 H new ATOM 0 HE2 PHE C 82 0.973 0.656 -4.326 1.00 0.00 H new ATOM 0 HZ PHE C 82 -1.375 1.007 -4.978 1.00 0.00 H new ATOM 1247 N GLU C 83 -2.053 -3.722 0.217 1.00 0.00 N ATOM 1248 CA GLU C 83 -3.329 -3.482 0.881 1.00 0.00 C ATOM 1249 C GLU C 83 -3.134 -2.964 2.312 1.00 0.00 C ATOM 1250 O GLU C 83 -3.685 -1.923 2.689 1.00 0.00 O ATOM 1251 CB GLU C 83 -4.167 -4.764 0.875 1.00 0.00 C ATOM 1252 CG GLU C 83 -5.436 -4.668 1.699 1.00 0.00 C ATOM 1253 CD GLU C 83 -6.213 -5.963 1.725 1.00 0.00 C ATOM 1254 OE1 GLU C 83 -5.902 -6.832 2.566 1.00 0.00 O ATOM 1255 OE2 GLU C 83 -7.147 -6.116 0.912 1.00 0.00 O ATOM 0 H GLU C 83 -1.855 -4.700 0.007 1.00 0.00 H new ATOM 0 HA GLU C 83 -3.860 -2.707 0.328 1.00 0.00 H new ATOM 0 HB2 GLU C 83 -4.430 -5.010 -0.154 1.00 0.00 H new ATOM 0 HB3 GLU C 83 -3.560 -5.586 1.254 1.00 0.00 H new ATOM 0 HG2 GLU C 83 -5.181 -4.381 2.719 1.00 0.00 H new ATOM 0 HG3 GLU C 83 -6.068 -3.878 1.294 1.00 0.00 H new ATOM 1262 N ALA C 84 -2.300 -3.638 3.080 1.00 0.00 N ATOM 1263 CA ALA C 84 -2.205 -3.367 4.509 1.00 0.00 C ATOM 1264 C ALA C 84 -1.583 -2.007 4.763 1.00 0.00 C ATOM 1265 O ALA C 84 -1.977 -1.296 5.684 1.00 0.00 O ATOM 1266 CB ALA C 84 -1.407 -4.454 5.211 1.00 0.00 C ATOM 0 H ALA C 84 -1.679 -4.375 2.744 1.00 0.00 H new ATOM 0 HA ALA C 84 -3.216 -3.362 4.917 1.00 0.00 H new ATOM 0 HB1 ALA C 84 -1.349 -4.232 6.277 1.00 0.00 H new ATOM 0 HB2 ALA C 84 -1.898 -5.416 5.067 1.00 0.00 H new ATOM 0 HB3 ALA C 84 -0.401 -4.494 4.793 1.00 0.00 H new ATOM 1272 N ASN C 85 -0.624 -1.642 3.931 1.00 0.00 N ATOM 1273 CA ASN C 85 0.088 -0.395 4.113 1.00 0.00 C ATOM 1274 C ASN C 85 -0.351 0.662 3.103 1.00 0.00 C ATOM 1275 O ASN C 85 -0.205 1.853 3.357 1.00 0.00 O ATOM 1276 CB ASN C 85 1.598 -0.636 4.009 1.00 0.00 C ATOM 1277 CG ASN C 85 2.144 -1.506 5.132 1.00 0.00 C ATOM 1278 OD1 ASN C 85 1.566 -1.387 6.320 1.00 0.00 O flip ATOM 1279 ND2 ASN C 85 3.086 -2.275 4.935 1.00 0.00 N flip ATOM 0 H ASN C 85 -0.323 -2.191 3.126 1.00 0.00 H new ATOM 0 HA ASN C 85 -0.151 -0.016 5.107 1.00 0.00 H new ATOM 0 HB2 ASN C 85 1.819 -1.108 3.052 1.00 0.00 H new ATOM 0 HB3 ASN C 85 2.114 0.324 4.018 1.00 0.00 H new ATOM 0 HD21 ASN C 85 3.506 -2.340 4.008 1.00 0.00 H new ATOM 0 HD22 ASN C 85 3.446 -2.847 5.699 1.00 0.00 H new ATOM 1286 N TYR C 86 -0.873 0.248 1.949 1.00 0.00 N ATOM 1287 CA TYR C 86 -1.212 1.234 0.909 1.00 0.00 C ATOM 1288 C TYR C 86 -2.674 1.259 0.476 1.00 0.00 C ATOM 1289 O TYR C 86 -2.950 1.569 -0.680 1.00 0.00 O ATOM 1290 CB TYR C 86 -0.395 1.014 -0.355 1.00 0.00 C ATOM 1291 CG TYR C 86 1.080 0.937 -0.125 1.00 0.00 C ATOM 1292 CD1 TYR C 86 1.613 -0.151 0.530 1.00 0.00 C ATOM 1293 CD2 TYR C 86 1.936 1.932 -0.564 1.00 0.00 C ATOM 1294 CE1 TYR C 86 2.950 -0.262 0.750 1.00 0.00 C ATOM 1295 CE2 TYR C 86 3.291 1.836 -0.348 1.00 0.00 C ATOM 1296 CZ TYR C 86 3.796 0.736 0.308 1.00 0.00 C ATOM 1297 OH TYR C 86 5.146 0.630 0.510 1.00 0.00 O ATOM 0 H TYR C 86 -1.067 -0.724 1.710 1.00 0.00 H new ATOM 0 HA TYR C 86 -0.984 2.183 1.395 1.00 0.00 H new ATOM 0 HB2 TYR C 86 -0.726 0.091 -0.832 1.00 0.00 H new ATOM 0 HB3 TYR C 86 -0.601 1.825 -1.053 1.00 0.00 H new ATOM 0 HD1 TYR C 86 0.954 -0.933 0.877 1.00 0.00 H new ATOM 0 HD2 TYR C 86 1.536 2.792 -1.081 1.00 0.00 H new ATOM 0 HE1 TYR C 86 3.347 -1.124 1.266 1.00 0.00 H new ATOM 0 HE2 TYR C 86 3.953 2.617 -0.690 1.00 0.00 H new ATOM 0 HH TYR C 86 5.517 1.515 0.710 1.00 0.00 H new ATOM 1307 N THR C 87 -3.609 0.994 1.361 1.00 0.00 N ATOM 1308 CA THR C 87 -5.022 1.055 0.958 1.00 0.00 C ATOM 1309 C THR C 87 -5.918 1.332 2.151 1.00 0.00 C ATOM 1310 O THR C 87 -6.881 2.088 2.044 1.00 0.00 O ATOM 1311 CB THR C 87 -5.572 -0.229 0.257 1.00 0.00 C ATOM 1312 OG1 THR C 87 -5.598 -1.332 1.162 1.00 0.00 O ATOM 1313 CG2 THR C 87 -4.780 -0.620 -0.984 1.00 0.00 C ATOM 0 H THR C 87 -3.441 0.741 2.335 1.00 0.00 H new ATOM 0 HA THR C 87 -5.044 1.865 0.229 1.00 0.00 H new ATOM 0 HB THR C 87 -6.585 0.018 -0.061 1.00 0.00 H new ATOM 0 HG1 THR C 87 -4.968 -1.169 1.895 1.00 0.00 H new ATOM 0 HG21 THR C 87 -5.213 -1.519 -1.424 1.00 0.00 H new ATOM 0 HG22 THR C 87 -4.816 0.192 -1.710 1.00 0.00 H new ATOM 0 HG23 THR C 87 -3.744 -0.814 -0.708 1.00 0.00 H new