USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 77 MET CE :methyl -151:sc= -0.5 (180deg=-1.85!) USER MOD Set 1.2: C 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: C 31 TYR OH : rot 180:sc= 0.291 USER MOD Set 2.2: C 59 LYS NZ :NH3+ -116:sc= 0.168 (180deg=-0.186) USER MOD Set 3.1: C 51 SER OG : rot -160:sc= 1.16 USER MOD Set 3.2: C 54 THR OG1 : rot 140:sc= 1.06 USER MOD Single : C 13 TYR OH : rot 180:sc= 0 USER MOD Single : C 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 20 TYR OH : rot -56:sc= 1.13 USER MOD Single : C 22 SER OG : rot 180:sc= -0.0825 USER MOD Single : C 27 LYS NZ :NH3+ 150:sc= 1.04 (180deg=0.789) USER MOD Single : C 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 36 SER OG : rot 98:sc= 1.25 USER MOD Single : C 38 ASN : amide:sc= -1.92 K(o=-1.9,f=-4.1!) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 53 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : C 65 TYR OH : rot 180:sc= 0 USER MOD Single : C 69 SER OG : rot -173:sc= 0.876 USER MOD Single : C 70 GLN :FLIP amide:sc= -0.204 F(o=-1.2!,f=-0.2) 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 78 SER OG : rot 180:sc= 0.0112 USER MOD Single : C 79 LYS NZ :NH3+ 165:sc= -0.0394 (180deg=-0.216) USER MOD Single : C 80 THR OG1 : rot 180:sc= 0.00668 USER MOD Single : C 85 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : C 87 THR OG1 : rot -21:sc= -0.0733 USER MOD ----------------------------------------------------------------- ATOM 167 N LEU C 12 3.794 10.017 -0.847 1.00 0.00 N ATOM 168 CA LEU C 12 3.907 8.640 -0.408 1.00 0.00 C ATOM 169 C LEU C 12 2.534 8.094 -0.027 1.00 0.00 C ATOM 170 O LEU C 12 1.538 8.819 -0.064 1.00 0.00 O ATOM 171 CB LEU C 12 4.914 8.496 0.741 1.00 0.00 C ATOM 172 CG LEU C 12 6.391 8.704 0.357 1.00 0.00 C ATOM 173 CD1 LEU C 12 6.695 8.082 -0.998 1.00 0.00 C ATOM 174 CD2 LEU C 12 6.767 10.176 0.357 1.00 0.00 C ATOM 0 HA LEU C 12 4.290 8.046 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU C 12 4.655 9.213 1.520 1.00 0.00 H new ATOM 0 HB3 LEU C 12 4.806 7.501 1.174 1.00 0.00 H new ATOM 0 HG LEU C 12 6.995 8.203 1.113 1.00 0.00 H new ATOM 0 HD11 LEU C 12 7.744 8.243 -1.245 1.00 0.00 H new ATOM 0 HD12 LEU C 12 6.491 7.012 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU C 12 6.068 8.545 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU C 12 7.816 10.284 0.082 1.00 0.00 H new ATOM 0 HD22 LEU C 12 6.146 10.710 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU C 12 6.609 10.592 1.352 1.00 0.00 H new ATOM 186 N TYR C 13 2.485 6.825 0.342 1.00 0.00 N ATOM 187 CA TYR C 13 1.220 6.114 0.457 1.00 0.00 C ATOM 188 C TYR C 13 0.689 6.115 1.885 1.00 0.00 C ATOM 189 O TYR C 13 1.314 6.678 2.788 1.00 0.00 O ATOM 190 CB TYR C 13 1.390 4.694 -0.062 1.00 0.00 C ATOM 191 CG TYR C 13 1.747 4.643 -1.530 1.00 0.00 C ATOM 192 CD1 TYR C 13 1.011 5.354 -2.472 1.00 0.00 C ATOM 193 CD2 TYR C 13 2.816 3.883 -1.975 1.00 0.00 C ATOM 194 CE1 TYR C 13 1.334 5.306 -3.815 1.00 0.00 C ATOM 195 CE2 TYR C 13 3.146 3.831 -3.316 1.00 0.00 C ATOM 196 CZ TYR C 13 2.403 4.543 -4.230 1.00 0.00 C ATOM 197 OH TYR C 13 2.731 4.493 -5.564 1.00 0.00 O ATOM 0 H TYR C 13 3.307 6.264 0.568 1.00 0.00 H new ATOM 0 HA TYR C 13 0.479 6.635 -0.149 1.00 0.00 H new ATOM 0 HB2 TYR C 13 2.168 4.193 0.514 1.00 0.00 H new ATOM 0 HB3 TYR C 13 0.466 4.140 0.101 1.00 0.00 H new ATOM 0 HD1 TYR C 13 0.173 5.954 -2.149 1.00 0.00 H new ATOM 0 HD2 TYR C 13 3.402 3.322 -1.262 1.00 0.00 H new ATOM 0 HE1 TYR C 13 0.752 5.863 -4.534 1.00 0.00 H new ATOM 0 HE2 TYR C 13 3.984 3.234 -3.645 1.00 0.00 H new ATOM 0 HH TYR C 13 3.510 3.911 -5.688 1.00 0.00 H new ATOM 207 N LYS C 14 -0.466 5.476 2.089 1.00 0.00 N ATOM 208 CA LYS C 14 -1.176 5.577 3.350 1.00 0.00 C ATOM 209 C LYS C 14 -1.751 4.225 3.728 1.00 0.00 C ATOM 210 O LYS C 14 -2.383 3.562 2.905 1.00 0.00 O ATOM 211 CB LYS C 14 -2.310 6.595 3.229 1.00 0.00 C ATOM 212 CG LYS C 14 -1.852 7.997 2.863 1.00 0.00 C ATOM 213 CD LYS C 14 -3.035 8.894 2.550 1.00 0.00 C ATOM 214 CE LYS C 14 -2.589 10.298 2.180 1.00 0.00 C ATOM 215 NZ LYS C 14 -3.741 11.160 1.804 1.00 0.00 N ATOM 0 H LYS C 14 -0.922 4.886 1.393 1.00 0.00 H new ATOM 0 HA LYS C 14 -0.479 5.903 4.122 1.00 0.00 H new ATOM 0 HB2 LYS C 14 -3.016 6.247 2.475 1.00 0.00 H new ATOM 0 HB3 LYS C 14 -2.849 6.636 4.176 1.00 0.00 H new ATOM 0 HG2 LYS C 14 -1.277 8.422 3.686 1.00 0.00 H new ATOM 0 HG3 LYS C 14 -1.187 7.952 2.000 1.00 0.00 H new ATOM 0 HD2 LYS C 14 -3.610 8.466 1.729 1.00 0.00 H new ATOM 0 HD3 LYS C 14 -3.698 8.938 3.414 1.00 0.00 H new ATOM 0 HE2 LYS C 14 -2.059 10.745 3.021 1.00 0.00 H new ATOM 0 HE3 LYS C 14 -1.885 10.249 1.349 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 -3.398 12.110 1.558 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 -4.232 10.746 0.986 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 -4.401 11.227 2.605 1.00 0.00 H new ATOM 229 N ASP C 15 -1.524 3.828 4.968 1.00 0.00 N ATOM 230 CA ASP C 15 -1.983 2.537 5.462 1.00 0.00 C ATOM 231 C ASP C 15 -3.488 2.577 5.773 1.00 0.00 C ATOM 232 O ASP C 15 -4.172 3.539 5.419 1.00 0.00 O ATOM 233 CB ASP C 15 -1.140 2.103 6.683 1.00 0.00 C ATOM 234 CG ASP C 15 -1.873 2.141 8.017 1.00 0.00 C ATOM 235 OD1 ASP C 15 -1.889 1.097 8.701 1.00 0.00 O ATOM 236 OD2 ASP C 15 -2.469 3.178 8.361 1.00 0.00 O ATOM 0 H ASP C 15 -1.020 4.385 5.658 1.00 0.00 H new ATOM 0 HA ASP C 15 -1.842 1.786 4.685 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -0.778 1.089 6.513 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -0.264 2.748 6.748 1.00 0.00 H new ATOM 241 N ALA C 16 -3.992 1.557 6.446 1.00 0.00 N ATOM 242 CA ALA C 16 -5.427 1.392 6.632 1.00 0.00 C ATOM 243 C ALA C 16 -6.031 2.493 7.514 1.00 0.00 C ATOM 244 O ALA C 16 -7.134 2.967 7.241 1.00 0.00 O ATOM 245 CB ALA C 16 -5.727 0.007 7.223 1.00 0.00 C ATOM 0 H ALA C 16 -3.426 0.825 6.876 1.00 0.00 H new ATOM 0 HA ALA C 16 -5.894 1.476 5.651 1.00 0.00 H new ATOM 0 HB1 ALA C 16 -6.803 -0.106 7.358 1.00 0.00 H new ATOM 0 HB2 ALA C 16 -5.364 -0.765 6.544 1.00 0.00 H new ATOM 0 HB3 ALA C 16 -5.228 -0.093 8.187 1.00 0.00 H new ATOM 251 N ASP C 17 -5.322 2.921 8.555 1.00 0.00 N ATOM 252 CA ASP C 17 -5.892 3.901 9.478 1.00 0.00 C ATOM 253 C ASP C 17 -5.275 5.274 9.274 1.00 0.00 C ATOM 254 O ASP C 17 -5.632 6.237 9.955 1.00 0.00 O ATOM 255 CB ASP C 17 -5.759 3.463 10.945 1.00 0.00 C ATOM 256 CG ASP C 17 -4.353 3.571 11.508 1.00 0.00 C ATOM 257 OD1 ASP C 17 -3.982 4.662 11.989 1.00 0.00 O ATOM 258 OD2 ASP C 17 -3.637 2.552 11.528 1.00 0.00 O ATOM 0 H ASP C 17 -4.375 2.615 8.779 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.956 3.963 9.250 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -6.429 4.070 11.555 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -6.095 2.430 11.035 1.00 0.00 H new ATOM 263 N GLY C 18 -4.351 5.365 8.337 1.00 0.00 N ATOM 264 CA GLY C 18 -3.812 6.656 7.973 1.00 0.00 C ATOM 265 C GLY C 18 -2.325 6.775 8.222 1.00 0.00 C ATOM 266 O GLY C 18 -1.770 7.876 8.191 1.00 0.00 O ATOM 0 H GLY C 18 -3.965 4.573 7.823 1.00 0.00 H new ATOM 0 HA2 GLY C 18 -4.013 6.841 6.918 1.00 0.00 H new ATOM 0 HA3 GLY C 18 -4.331 7.431 8.537 1.00 0.00 H new ATOM 270 N VAL C 19 -1.678 5.651 8.465 1.00 0.00 N ATOM 271 CA VAL C 19 -0.238 5.628 8.675 1.00 0.00 C ATOM 272 C VAL C 19 0.492 5.923 7.369 1.00 0.00 C ATOM 273 O VAL C 19 0.331 5.215 6.378 1.00 0.00 O ATOM 274 CB VAL C 19 0.221 4.267 9.245 1.00 0.00 C ATOM 275 CG1 VAL C 19 1.737 4.144 9.207 1.00 0.00 C ATOM 276 CG2 VAL C 19 -0.284 4.097 10.670 1.00 0.00 C ATOM 0 H VAL C 19 -2.127 4.737 8.523 1.00 0.00 H new ATOM 0 HA VAL C 19 0.008 6.401 9.403 1.00 0.00 H new ATOM 0 HB VAL C 19 -0.200 3.478 8.622 1.00 0.00 H new ATOM 0 HG11 VAL C 19 2.034 3.177 9.614 1.00 0.00 H new ATOM 0 HG12 VAL C 19 2.083 4.226 8.177 1.00 0.00 H new ATOM 0 HG13 VAL C 19 2.182 4.941 9.803 1.00 0.00 H new ATOM 0 HG21 VAL C 19 0.046 3.134 11.061 1.00 0.00 H new ATOM 0 HG22 VAL C 19 0.113 4.897 11.295 1.00 0.00 H new ATOM 0 HG23 VAL C 19 -1.373 4.137 10.677 1.00 0.00 H new ATOM 286 N TYR C 20 1.272 6.992 7.374 1.00 0.00 N ATOM 287 CA TYR C 20 2.007 7.411 6.203 1.00 0.00 C ATOM 288 C TYR C 20 3.229 6.540 6.029 1.00 0.00 C ATOM 289 O TYR C 20 3.940 6.226 6.989 1.00 0.00 O ATOM 290 CB TYR C 20 2.403 8.871 6.338 1.00 0.00 C ATOM 291 CG TYR C 20 2.870 9.541 5.067 1.00 0.00 C ATOM 292 CD1 TYR C 20 1.980 9.802 4.034 1.00 0.00 C ATOM 293 CD2 TYR C 20 4.186 9.956 4.921 1.00 0.00 C ATOM 294 CE1 TYR C 20 2.390 10.458 2.892 1.00 0.00 C ATOM 295 CE2 TYR C 20 4.605 10.606 3.778 1.00 0.00 C ATOM 296 CZ TYR C 20 3.703 10.858 2.768 1.00 0.00 C ATOM 297 OH TYR C 20 4.116 11.528 1.637 1.00 0.00 O ATOM 0 H TYR C 20 1.410 7.589 8.190 1.00 0.00 H new ATOM 0 HA TYR C 20 1.376 7.304 5.321 1.00 0.00 H new ATOM 0 HB2 TYR C 20 1.549 9.426 6.727 1.00 0.00 H new ATOM 0 HB3 TYR C 20 3.198 8.946 7.080 1.00 0.00 H new ATOM 0 HD1 TYR C 20 0.951 9.487 4.126 1.00 0.00 H new ATOM 0 HD2 TYR C 20 4.894 9.767 5.715 1.00 0.00 H new ATOM 0 HE1 TYR C 20 1.685 10.657 2.098 1.00 0.00 H new ATOM 0 HE2 TYR C 20 5.635 10.915 3.676 1.00 0.00 H new ATOM 0 HH TYR C 20 3.905 10.992 0.844 1.00 0.00 H new ATOM 307 N VAL C 21 3.460 6.175 4.800 1.00 0.00 N ATOM 308 CA VAL C 21 4.480 5.185 4.463 1.00 0.00 C ATOM 309 C VAL C 21 5.094 5.458 3.098 1.00 0.00 C ATOM 310 O VAL C 21 4.391 5.696 2.114 1.00 0.00 O ATOM 311 CB VAL C 21 3.895 3.742 4.526 1.00 0.00 C ATOM 312 CG1 VAL C 21 2.522 3.684 3.880 1.00 0.00 C ATOM 313 CG2 VAL C 21 4.812 2.709 3.869 1.00 0.00 C ATOM 0 H VAL C 21 2.955 6.546 3.995 1.00 0.00 H new ATOM 0 HA VAL C 21 5.274 5.267 5.205 1.00 0.00 H new ATOM 0 HB VAL C 21 3.811 3.491 5.583 1.00 0.00 H new ATOM 0 HG11 VAL C 21 2.136 2.666 3.937 1.00 0.00 H new ATOM 0 HG12 VAL C 21 1.845 4.359 4.403 1.00 0.00 H new ATOM 0 HG13 VAL C 21 2.598 3.985 2.835 1.00 0.00 H new ATOM 0 HG21 VAL C 21 4.357 1.721 3.941 1.00 0.00 H new ATOM 0 HG22 VAL C 21 4.957 2.966 2.820 1.00 0.00 H new ATOM 0 HG23 VAL C 21 5.776 2.702 4.378 1.00 0.00 H new ATOM 323 N SER C 22 6.415 5.435 3.055 1.00 0.00 N ATOM 324 CA SER C 22 7.149 5.678 1.832 1.00 0.00 C ATOM 325 C SER C 22 7.365 4.373 1.080 1.00 0.00 C ATOM 326 O SER C 22 7.622 3.336 1.692 1.00 0.00 O ATOM 327 CB SER C 22 8.489 6.331 2.167 1.00 0.00 C ATOM 328 OG SER C 22 8.304 7.430 3.046 1.00 0.00 O ATOM 0 H SER C 22 7.005 5.248 3.866 1.00 0.00 H new ATOM 0 HA SER C 22 6.575 6.349 1.193 1.00 0.00 H new ATOM 0 HB2 SER C 22 9.152 5.598 2.627 1.00 0.00 H new ATOM 0 HB3 SER C 22 8.974 6.669 1.251 1.00 0.00 H new ATOM 0 HG SER C 22 9.173 7.835 3.251 1.00 0.00 H new ATOM 334 N ALA C 23 7.266 4.428 -0.242 1.00 0.00 N ATOM 335 CA ALA C 23 7.406 3.246 -1.066 1.00 0.00 C ATOM 336 C ALA C 23 8.735 3.256 -1.793 1.00 0.00 C ATOM 337 O ALA C 23 9.023 4.141 -2.601 1.00 0.00 O ATOM 338 CB ALA C 23 6.267 3.140 -2.062 1.00 0.00 C ATOM 0 H ALA C 23 7.088 5.286 -0.764 1.00 0.00 H new ATOM 0 HA ALA C 23 7.372 2.376 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA C 23 6.396 2.244 -2.668 1.00 0.00 H new ATOM 0 HB2 ALA C 23 5.319 3.082 -1.526 1.00 0.00 H new ATOM 0 HB3 ALA C 23 6.266 4.018 -2.708 1.00 0.00 H new ATOM 344 N LEU C 24 9.534 2.268 -1.480 1.00 0.00 N ATOM 345 CA LEU C 24 10.847 2.106 -2.060 1.00 0.00 C ATOM 346 C LEU C 24 10.846 0.844 -2.916 1.00 0.00 C ATOM 347 O LEU C 24 10.929 -0.262 -2.386 1.00 0.00 O ATOM 348 CB LEU C 24 11.909 1.987 -0.950 1.00 0.00 C ATOM 349 CG LEU C 24 12.038 3.180 0.020 1.00 0.00 C ATOM 350 CD1 LEU C 24 12.179 4.489 -0.737 1.00 0.00 C ATOM 351 CD2 LEU C 24 10.865 3.249 0.989 1.00 0.00 C ATOM 0 H LEU C 24 9.289 1.542 -0.806 1.00 0.00 H new ATOM 0 HA LEU C 24 11.088 2.974 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU C 24 11.689 1.095 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU C 24 12.878 1.827 -1.423 1.00 0.00 H new ATOM 0 HG LEU C 24 12.944 3.020 0.605 1.00 0.00 H new ATOM 0 HD11 LEU C 24 12.268 5.312 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU C 24 13.070 4.453 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU C 24 11.300 4.643 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU C 24 10.993 4.102 1.655 1.00 0.00 H new ATOM 0 HD22 LEU C 24 9.937 3.362 0.429 1.00 0.00 H new ATOM 0 HD23 LEU C 24 10.825 2.332 1.577 1.00 0.00 H new ATOM 363 N PRO C 25 10.739 0.974 -4.247 1.00 0.00 N ATOM 364 CA PRO C 25 10.607 -0.190 -5.125 1.00 0.00 C ATOM 365 C PRO C 25 11.847 -1.064 -5.051 1.00 0.00 C ATOM 366 O PRO C 25 12.945 -0.550 -4.909 1.00 0.00 O ATOM 367 CB PRO C 25 10.458 0.419 -6.526 1.00 0.00 C ATOM 368 CG PRO C 25 10.112 1.852 -6.296 1.00 0.00 C ATOM 369 CD PRO C 25 10.784 2.233 -5.010 1.00 0.00 C ATOM 0 HA PRO C 25 9.768 -0.829 -4.851 1.00 0.00 H new ATOM 0 HB2 PRO C 25 11.382 0.324 -7.097 1.00 0.00 H new ATOM 0 HB3 PRO C 25 9.678 -0.088 -7.095 1.00 0.00 H new ATOM 0 HG2 PRO C 25 10.461 2.476 -7.119 1.00 0.00 H new ATOM 0 HG3 PRO C 25 9.033 1.988 -6.228 1.00 0.00 H new ATOM 0 HD2 PRO C 25 11.807 2.574 -5.171 1.00 0.00 H new ATOM 0 HD3 PRO C 25 10.256 3.038 -4.498 1.00 0.00 H new ATOM 377 N ILE C 26 11.681 -2.378 -5.110 1.00 0.00 N ATOM 378 CA ILE C 26 12.836 -3.264 -5.095 1.00 0.00 C ATOM 379 C ILE C 26 13.464 -3.285 -6.479 1.00 0.00 C ATOM 380 O ILE C 26 12.931 -3.883 -7.418 1.00 0.00 O ATOM 381 CB ILE C 26 12.477 -4.690 -4.640 1.00 0.00 C ATOM 382 CG1 ILE C 26 11.824 -4.640 -3.250 1.00 0.00 C ATOM 383 CG2 ILE C 26 13.735 -5.553 -4.614 1.00 0.00 C ATOM 384 CD1 ILE C 26 11.226 -5.954 -2.789 1.00 0.00 C ATOM 0 H ILE C 26 10.777 -2.847 -5.168 1.00 0.00 H new ATOM 0 HA ILE C 26 13.550 -2.878 -4.367 1.00 0.00 H new ATOM 0 HB ILE C 26 11.768 -5.131 -5.341 1.00 0.00 H new ATOM 0 HG12 ILE C 26 12.571 -4.320 -2.523 1.00 0.00 H new ATOM 0 HG13 ILE C 26 11.041 -3.882 -3.257 1.00 0.00 H new ATOM 0 HG21 ILE C 26 13.478 -6.562 -4.291 1.00 0.00 H new ATOM 0 HG22 ILE C 26 14.171 -5.591 -5.612 1.00 0.00 H new ATOM 0 HG23 ILE C 26 14.457 -5.123 -3.919 1.00 0.00 H new ATOM 0 HD11 ILE C 26 10.787 -5.827 -1.799 1.00 0.00 H new ATOM 0 HD12 ILE C 26 10.453 -6.268 -3.491 1.00 0.00 H new ATOM 0 HD13 ILE C 26 12.007 -6.713 -2.745 1.00 0.00 H new ATOM 396 N LYS C 27 14.605 -2.625 -6.582 1.00 0.00 N ATOM 397 CA LYS C 27 15.151 -2.214 -7.853 1.00 0.00 C ATOM 398 C LYS C 27 16.080 -3.271 -8.434 1.00 0.00 C ATOM 399 O LYS C 27 15.705 -3.980 -9.365 1.00 0.00 O ATOM 400 CB LYS C 27 15.850 -0.864 -7.641 1.00 0.00 C ATOM 401 CG LYS C 27 15.431 -0.212 -6.322 1.00 0.00 C ATOM 402 CD LYS C 27 16.288 -0.683 -5.142 1.00 0.00 C ATOM 403 CE LYS C 27 15.612 -0.379 -3.812 1.00 0.00 C ATOM 404 NZ LYS C 27 16.241 -1.100 -2.677 1.00 0.00 N ATOM 0 H LYS C 27 15.177 -2.361 -5.780 1.00 0.00 H new ATOM 0 HA LYS C 27 14.356 -2.099 -8.590 1.00 0.00 H new ATOM 0 HB2 LYS C 27 16.930 -1.008 -7.649 1.00 0.00 H new ATOM 0 HB3 LYS C 27 15.612 -0.196 -8.469 1.00 0.00 H new ATOM 0 HG2 LYS C 27 15.508 0.871 -6.414 1.00 0.00 H new ATOM 0 HG3 LYS C 27 14.384 -0.441 -6.122 1.00 0.00 H new ATOM 0 HD2 LYS C 27 16.467 -1.755 -5.225 1.00 0.00 H new ATOM 0 HD3 LYS C 27 17.261 -0.193 -5.178 1.00 0.00 H new ATOM 0 HE2 LYS C 27 15.653 0.694 -3.624 1.00 0.00 H new ATOM 0 HE3 LYS C 27 14.559 -0.652 -3.873 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 16.137 -0.538 -1.808 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 15.776 -2.022 -2.551 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 17.251 -1.246 -2.876 1.00 0.00 H new ATOM 418 N ALA C 28 17.269 -3.406 -7.872 1.00 0.00 N ATOM 419 CA ALA C 28 18.224 -4.388 -8.372 1.00 0.00 C ATOM 420 C ALA C 28 19.220 -4.784 -7.294 1.00 0.00 C ATOM 421 O ALA C 28 19.608 -3.962 -6.463 1.00 0.00 O ATOM 422 CB ALA C 28 18.950 -3.848 -9.597 1.00 0.00 C ATOM 0 H ALA C 28 17.597 -2.856 -7.078 1.00 0.00 H new ATOM 0 HA ALA C 28 17.669 -5.281 -8.660 1.00 0.00 H new ATOM 0 HB1 ALA C 28 19.659 -4.593 -9.958 1.00 0.00 H new ATOM 0 HB2 ALA C 28 18.226 -3.627 -10.381 1.00 0.00 H new ATOM 0 HB3 ALA C 28 19.486 -2.937 -9.330 1.00 0.00 H new ATOM 428 N ILE C 29 19.607 -6.053 -7.308 1.00 0.00 N ATOM 429 CA ILE C 29 20.574 -6.591 -6.358 1.00 0.00 C ATOM 430 C ILE C 29 21.469 -7.606 -7.060 1.00 0.00 C ATOM 431 O ILE C 29 21.075 -8.207 -8.059 1.00 0.00 O ATOM 432 CB ILE C 29 19.866 -7.262 -5.138 1.00 0.00 C ATOM 433 CG1 ILE C 29 19.080 -6.235 -4.319 1.00 0.00 C ATOM 434 CG2 ILE C 29 20.867 -7.968 -4.232 1.00 0.00 C ATOM 435 CD1 ILE C 29 18.029 -6.851 -3.420 1.00 0.00 C ATOM 0 H ILE C 29 19.260 -6.739 -7.978 1.00 0.00 H new ATOM 0 HA ILE C 29 21.176 -5.764 -5.981 1.00 0.00 H new ATOM 0 HB ILE C 29 19.174 -8.001 -5.542 1.00 0.00 H new ATOM 0 HG12 ILE C 29 19.776 -5.660 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE C 29 18.598 -5.533 -4.999 1.00 0.00 H new ATOM 0 HG21 ILE C 29 20.340 -8.424 -3.393 1.00 0.00 H new ATOM 0 HG22 ILE C 29 21.387 -8.741 -4.797 1.00 0.00 H new ATOM 0 HG23 ILE C 29 21.591 -7.245 -3.856 1.00 0.00 H new ATOM 0 HD11 ILE C 29 17.513 -6.063 -2.871 1.00 0.00 H new ATOM 0 HD12 ILE C 29 17.310 -7.402 -4.026 1.00 0.00 H new ATOM 0 HD13 ILE C 29 18.507 -7.531 -2.715 1.00 0.00 H new ATOM 447 N LYS C 30 22.671 -7.780 -6.544 1.00 0.00 N ATOM 448 CA LYS C 30 23.631 -8.697 -7.113 1.00 0.00 C ATOM 449 C LYS C 30 24.466 -9.292 -5.995 1.00 0.00 C ATOM 450 O LYS C 30 24.782 -8.620 -5.022 1.00 0.00 O ATOM 451 CB LYS C 30 24.540 -7.986 -8.114 1.00 0.00 C ATOM 452 CG LYS C 30 25.422 -8.939 -8.907 1.00 0.00 C ATOM 453 CD LYS C 30 26.609 -8.224 -9.528 1.00 0.00 C ATOM 454 CE LYS C 30 27.587 -7.755 -8.465 1.00 0.00 C ATOM 455 NZ LYS C 30 28.804 -7.142 -9.057 1.00 0.00 N ATOM 0 H LYS C 30 23.007 -7.287 -5.717 1.00 0.00 H new ATOM 0 HA LYS C 30 23.096 -9.485 -7.643 1.00 0.00 H new ATOM 0 HB2 LYS C 30 23.926 -7.409 -8.806 1.00 0.00 H new ATOM 0 HB3 LYS C 30 25.172 -7.276 -7.580 1.00 0.00 H new ATOM 0 HG2 LYS C 30 25.779 -9.734 -8.252 1.00 0.00 H new ATOM 0 HG3 LYS C 30 24.832 -9.413 -9.692 1.00 0.00 H new ATOM 0 HD2 LYS C 30 27.117 -8.893 -10.223 1.00 0.00 H new ATOM 0 HD3 LYS C 30 26.259 -7.369 -10.107 1.00 0.00 H new ATOM 0 HE2 LYS C 30 27.096 -7.030 -7.816 1.00 0.00 H new ATOM 0 HE3 LYS C 30 27.875 -8.600 -7.840 1.00 0.00 H new ATOM 0 HZ1 LYS C 30 29.444 -6.836 -8.296 1.00 0.00 H new ATOM 0 HZ2 LYS C 30 29.288 -7.840 -9.657 1.00 0.00 H new ATOM 0 HZ3 LYS C 30 28.533 -6.320 -9.633 1.00 0.00 H new ATOM 469 N TYR C 31 24.815 -10.542 -6.147 1.00 0.00 N ATOM 470 CA TYR C 31 25.581 -11.257 -5.148 1.00 0.00 C ATOM 471 C TYR C 31 27.064 -11.168 -5.464 1.00 0.00 C ATOM 472 O TYR C 31 27.499 -11.477 -6.577 1.00 0.00 O ATOM 473 CB TYR C 31 25.141 -12.720 -5.080 1.00 0.00 C ATOM 474 CG TYR C 31 23.673 -12.899 -4.756 1.00 0.00 C ATOM 475 CD1 TYR C 31 23.222 -12.880 -3.443 1.00 0.00 C ATOM 476 CD2 TYR C 31 22.741 -13.086 -5.767 1.00 0.00 C ATOM 477 CE1 TYR C 31 21.882 -13.046 -3.148 1.00 0.00 C ATOM 478 CE2 TYR C 31 21.401 -13.251 -5.480 1.00 0.00 C ATOM 479 CZ TYR C 31 20.977 -13.231 -4.171 1.00 0.00 C ATOM 480 OH TYR C 31 19.643 -13.397 -3.886 1.00 0.00 O ATOM 0 H TYR C 31 24.578 -11.099 -6.968 1.00 0.00 H new ATOM 0 HA TYR C 31 25.399 -10.797 -4.177 1.00 0.00 H new ATOM 0 HB2 TYR C 31 25.354 -13.199 -6.035 1.00 0.00 H new ATOM 0 HB3 TYR C 31 25.736 -13.235 -4.325 1.00 0.00 H new ATOM 0 HD1 TYR C 31 23.929 -12.733 -2.640 1.00 0.00 H new ATOM 0 HD2 TYR C 31 23.070 -13.103 -6.796 1.00 0.00 H new ATOM 0 HE1 TYR C 31 21.546 -13.031 -2.122 1.00 0.00 H new ATOM 0 HE2 TYR C 31 20.689 -13.395 -6.279 1.00 0.00 H new ATOM 0 HH TYR C 31 19.142 -13.514 -4.720 1.00 0.00 H new ATOM 490 N ALA C 32 27.827 -10.718 -4.493 1.00 0.00 N ATOM 491 CA ALA C 32 29.254 -10.594 -4.637 1.00 0.00 C ATOM 492 C ALA C 32 29.944 -11.870 -4.190 1.00 0.00 C ATOM 493 O ALA C 32 29.298 -12.799 -3.702 1.00 0.00 O ATOM 494 CB ALA C 32 29.763 -9.400 -3.842 1.00 0.00 C ATOM 0 H ALA C 32 27.472 -10.428 -3.582 1.00 0.00 H new ATOM 0 HA ALA C 32 29.486 -10.431 -5.689 1.00 0.00 H new ATOM 0 HB1 ALA C 32 30.844 -9.318 -3.960 1.00 0.00 H new ATOM 0 HB2 ALA C 32 29.288 -8.490 -4.208 1.00 0.00 H new ATOM 0 HB3 ALA C 32 29.522 -9.536 -2.788 1.00 0.00 H new ATOM 500 N ASN C 33 31.250 -11.894 -4.337 1.00 0.00 N ATOM 501 CA ASN C 33 32.048 -13.085 -4.037 1.00 0.00 C ATOM 502 C ASN C 33 31.913 -13.492 -2.575 1.00 0.00 C ATOM 503 O ASN C 33 31.572 -14.633 -2.263 1.00 0.00 O ATOM 504 CB ASN C 33 33.527 -12.847 -4.364 1.00 0.00 C ATOM 505 CG ASN C 33 33.818 -12.863 -5.852 1.00 0.00 C ATOM 506 OD1 ASN C 33 34.129 -13.908 -6.422 1.00 0.00 O ATOM 507 ND2 ASN C 33 33.737 -11.708 -6.488 1.00 0.00 N ATOM 0 H ASN C 33 31.796 -11.098 -4.666 1.00 0.00 H new ATOM 0 HA ASN C 33 31.666 -13.893 -4.661 1.00 0.00 H new ATOM 0 HB2 ASN C 33 33.834 -11.887 -3.950 1.00 0.00 H new ATOM 0 HB3 ASN C 33 34.129 -13.612 -3.874 1.00 0.00 H new ATOM 0 HD21 ASN C 33 33.936 -11.661 -7.487 1.00 0.00 H new ATOM 0 HD22 ASN C 33 33.476 -10.863 -5.980 1.00 0.00 H new ATOM 514 N ASP C 34 32.158 -12.539 -1.685 1.00 0.00 N ATOM 515 CA ASP C 34 32.171 -12.804 -0.251 1.00 0.00 C ATOM 516 C ASP C 34 30.781 -13.158 0.269 1.00 0.00 C ATOM 517 O ASP C 34 30.648 -13.895 1.246 1.00 0.00 O ATOM 518 CB ASP C 34 32.706 -11.587 0.507 1.00 0.00 C ATOM 519 CG ASP C 34 31.752 -10.413 0.468 1.00 0.00 C ATOM 520 OD1 ASP C 34 31.066 -10.169 1.480 1.00 0.00 O ATOM 521 OD2 ASP C 34 31.676 -9.733 -0.577 1.00 0.00 O ATOM 0 H ASP C 34 32.352 -11.569 -1.933 1.00 0.00 H new ATOM 0 HA ASP C 34 32.826 -13.659 -0.082 1.00 0.00 H new ATOM 0 HB2 ASP C 34 32.894 -11.863 1.544 1.00 0.00 H new ATOM 0 HB3 ASP C 34 33.662 -11.288 0.078 1.00 0.00 H new ATOM 526 N GLY C 35 29.753 -12.638 -0.382 1.00 0.00 N ATOM 527 CA GLY C 35 28.397 -12.901 0.054 1.00 0.00 C ATOM 528 C GLY C 35 27.561 -11.643 0.121 1.00 0.00 C ATOM 529 O GLY C 35 26.335 -11.703 0.023 1.00 0.00 O ATOM 0 H GLY C 35 29.832 -12.039 -1.204 1.00 0.00 H new ATOM 0 HA2 GLY C 35 27.929 -13.609 -0.630 1.00 0.00 H new ATOM 0 HA3 GLY C 35 28.419 -13.373 1.036 1.00 0.00 H new ATOM 533 N SER C 36 28.225 -10.506 0.298 1.00 0.00 N ATOM 534 CA SER C 36 27.543 -9.219 0.341 1.00 0.00 C ATOM 535 C SER C 36 26.744 -8.993 -0.938 1.00 0.00 C ATOM 536 O SER C 36 27.154 -9.410 -2.023 1.00 0.00 O ATOM 537 CB SER C 36 28.559 -8.092 0.528 1.00 0.00 C ATOM 538 OG SER C 36 29.330 -8.292 1.700 1.00 0.00 O ATOM 0 H SER C 36 29.237 -10.450 0.414 1.00 0.00 H new ATOM 0 HA SER C 36 26.854 -9.221 1.186 1.00 0.00 H new ATOM 0 HB2 SER C 36 29.216 -8.043 -0.340 1.00 0.00 H new ATOM 0 HB3 SER C 36 28.039 -7.136 0.589 1.00 0.00 H new ATOM 0 HG SER C 36 30.189 -8.698 1.461 1.00 0.00 H new ATOM 544 N ALA C 37 25.602 -8.343 -0.806 1.00 0.00 N ATOM 545 CA ALA C 37 24.757 -8.071 -1.954 1.00 0.00 C ATOM 546 C ALA C 37 24.848 -6.609 -2.353 1.00 0.00 C ATOM 547 O ALA C 37 24.759 -5.718 -1.511 1.00 0.00 O ATOM 548 CB ALA C 37 23.317 -8.462 -1.667 1.00 0.00 C ATOM 0 H ALA C 37 25.239 -7.995 0.081 1.00 0.00 H new ATOM 0 HA ALA C 37 25.113 -8.674 -2.789 1.00 0.00 H new ATOM 0 HB1 ALA C 37 22.701 -8.250 -2.541 1.00 0.00 H new ATOM 0 HB2 ALA C 37 23.268 -9.527 -1.438 1.00 0.00 H new ATOM 0 HB3 ALA C 37 22.948 -7.891 -0.815 1.00 0.00 H new ATOM 554 N ASN C 38 25.046 -6.373 -3.636 1.00 0.00 N ATOM 555 CA ASN C 38 25.143 -5.024 -4.164 1.00 0.00 C ATOM 556 C ASN C 38 23.768 -4.539 -4.596 1.00 0.00 C ATOM 557 O ASN C 38 23.317 -4.826 -5.705 1.00 0.00 O ATOM 558 CB ASN C 38 26.107 -4.973 -5.355 1.00 0.00 C ATOM 559 CG ASN C 38 27.487 -5.528 -5.043 1.00 0.00 C ATOM 560 OD1 ASN C 38 28.143 -6.100 -5.909 1.00 0.00 O ATOM 561 ND2 ASN C 38 27.940 -5.365 -3.809 1.00 0.00 N ATOM 0 H ASN C 38 25.144 -7.106 -4.339 1.00 0.00 H new ATOM 0 HA ASN C 38 25.529 -4.374 -3.378 1.00 0.00 H new ATOM 0 HB2 ASN C 38 25.677 -5.535 -6.184 1.00 0.00 H new ATOM 0 HB3 ASN C 38 26.206 -3.940 -5.688 1.00 0.00 H new ATOM 0 HD21 ASN C 38 28.861 -5.720 -3.553 1.00 0.00 H new ATOM 0 HD22 ASN C 38 27.368 -4.885 -3.115 1.00 0.00 H new ATOM 568 N ALA C 39 23.098 -3.829 -3.705 1.00 0.00 N ATOM 569 CA ALA C 39 21.784 -3.280 -3.991 1.00 0.00 C ATOM 570 C ALA C 39 21.919 -1.960 -4.733 1.00 0.00 C ATOM 571 O ALA C 39 22.970 -1.330 -4.677 1.00 0.00 O ATOM 572 CB ALA C 39 21.003 -3.102 -2.699 1.00 0.00 C ATOM 0 H ALA C 39 23.446 -3.618 -2.770 1.00 0.00 H new ATOM 0 HA ALA C 39 21.236 -3.974 -4.629 1.00 0.00 H new ATOM 0 HB1 ALA C 39 20.019 -2.690 -2.923 1.00 0.00 H new ATOM 0 HB2 ALA C 39 20.889 -4.068 -2.207 1.00 0.00 H new ATOM 0 HB3 ALA C 39 21.541 -2.420 -2.040 1.00 0.00 H new ATOM 578 N GLU C 40 20.890 -1.562 -5.468 1.00 0.00 N ATOM 579 CA GLU C 40 20.916 -0.270 -6.143 1.00 0.00 C ATOM 580 C GLU C 40 19.516 0.204 -6.572 1.00 0.00 C ATOM 581 O GLU C 40 18.848 -0.457 -7.377 1.00 0.00 O ATOM 582 CB GLU C 40 21.842 -0.331 -7.363 1.00 0.00 C ATOM 583 CG GLU C 40 21.634 -1.567 -8.222 1.00 0.00 C ATOM 584 CD GLU C 40 22.565 -1.617 -9.410 1.00 0.00 C ATOM 585 OE1 GLU C 40 22.081 -1.482 -10.555 1.00 0.00 O ATOM 586 OE2 GLU C 40 23.787 -1.788 -9.202 1.00 0.00 O ATOM 0 H GLU C 40 20.038 -2.105 -5.612 1.00 0.00 H new ATOM 0 HA GLU C 40 21.296 0.456 -5.424 1.00 0.00 H new ATOM 0 HB2 GLU C 40 21.683 0.557 -7.974 1.00 0.00 H new ATOM 0 HB3 GLU C 40 22.878 -0.304 -7.025 1.00 0.00 H new ATOM 0 HG2 GLU C 40 21.783 -2.458 -7.611 1.00 0.00 H new ATOM 0 HG3 GLU C 40 20.602 -1.590 -8.573 1.00 0.00 H new ATOM 593 N PHE C 41 19.063 1.319 -5.992 1.00 0.00 N ATOM 594 CA PHE C 41 17.916 2.074 -6.498 1.00 0.00 C ATOM 595 C PHE C 41 18.130 2.588 -7.921 1.00 0.00 C ATOM 596 O PHE C 41 19.261 2.793 -8.370 1.00 0.00 O ATOM 597 CB PHE C 41 17.642 3.291 -5.608 1.00 0.00 C ATOM 598 CG PHE C 41 16.822 3.027 -4.376 1.00 0.00 C ATOM 599 CD1 PHE C 41 15.440 3.126 -4.417 1.00 0.00 C ATOM 600 CD2 PHE C 41 17.431 2.716 -3.173 1.00 0.00 C ATOM 601 CE1 PHE C 41 14.684 2.919 -3.280 1.00 0.00 C ATOM 602 CE2 PHE C 41 16.681 2.503 -2.035 1.00 0.00 C ATOM 603 CZ PHE C 41 15.306 2.606 -2.087 1.00 0.00 C ATOM 0 H PHE C 41 19.484 1.724 -5.156 1.00 0.00 H new ATOM 0 HA PHE C 41 17.075 1.380 -6.493 1.00 0.00 H new ATOM 0 HB2 PHE C 41 18.598 3.716 -5.302 1.00 0.00 H new ATOM 0 HB3 PHE C 41 17.133 4.048 -6.205 1.00 0.00 H new ATOM 0 HD1 PHE C 41 14.949 3.368 -5.348 1.00 0.00 H new ATOM 0 HD2 PHE C 41 18.507 2.639 -3.124 1.00 0.00 H new ATOM 0 HE1 PHE C 41 13.608 3.002 -3.323 1.00 0.00 H new ATOM 0 HE2 PHE C 41 17.170 2.256 -1.104 1.00 0.00 H new ATOM 0 HZ PHE C 41 14.717 2.442 -1.197 1.00 0.00 H new ATOM 613 N ASP C 42 17.013 2.788 -8.619 1.00 0.00 N ATOM 614 CA ASP C 42 17.007 3.469 -9.909 1.00 0.00 C ATOM 615 C ASP C 42 16.752 4.945 -9.692 1.00 0.00 C ATOM 616 O ASP C 42 17.168 5.789 -10.487 1.00 0.00 O ATOM 617 CB ASP C 42 15.933 2.894 -10.836 1.00 0.00 C ATOM 618 CG ASP C 42 16.208 1.464 -11.245 1.00 0.00 C ATOM 619 OD1 ASP C 42 15.684 0.541 -10.589 1.00 0.00 O ATOM 620 OD2 ASP C 42 16.946 1.258 -12.231 1.00 0.00 O ATOM 0 H ASP C 42 16.091 2.483 -8.306 1.00 0.00 H new ATOM 0 HA ASP C 42 17.978 3.320 -10.382 1.00 0.00 H new ATOM 0 HB2 ASP C 42 14.966 2.943 -10.336 1.00 0.00 H new ATOM 0 HB3 ASP C 42 15.862 3.514 -11.730 1.00 0.00 H new ATOM 625 N GLY C 43 16.050 5.242 -8.612 1.00 0.00 N ATOM 626 CA GLY C 43 15.843 6.618 -8.213 1.00 0.00 C ATOM 627 C GLY C 43 17.041 7.162 -7.458 1.00 0.00 C ATOM 628 O GLY C 43 17.944 6.399 -7.106 1.00 0.00 O ATOM 0 H GLY C 43 15.617 4.550 -8.000 1.00 0.00 H new ATOM 0 HA2 GLY C 43 15.659 7.230 -9.096 1.00 0.00 H new ATOM 0 HA3 GLY C 43 14.954 6.687 -7.586 1.00 0.00 H new ATOM 632 N PRO C 44 17.082 8.477 -7.200 1.00 0.00 N ATOM 633 CA PRO C 44 18.186 9.110 -6.464 1.00 0.00 C ATOM 634 C PRO C 44 18.176 8.751 -4.978 1.00 0.00 C ATOM 635 O PRO C 44 17.941 9.599 -4.117 1.00 0.00 O ATOM 636 CB PRO C 44 17.925 10.607 -6.658 1.00 0.00 C ATOM 637 CG PRO C 44 16.458 10.712 -6.894 1.00 0.00 C ATOM 638 CD PRO C 44 16.062 9.456 -7.618 1.00 0.00 C ATOM 0 HA PRO C 44 19.161 8.783 -6.826 1.00 0.00 H new ATOM 0 HB2 PRO C 44 18.226 11.178 -5.779 1.00 0.00 H new ATOM 0 HB3 PRO C 44 18.490 11.001 -7.503 1.00 0.00 H new ATOM 0 HG2 PRO C 44 15.917 10.806 -5.952 1.00 0.00 H new ATOM 0 HG3 PRO C 44 16.221 11.595 -7.487 1.00 0.00 H new ATOM 0 HD2 PRO C 44 15.059 9.133 -7.340 1.00 0.00 H new ATOM 0 HD3 PRO C 44 16.063 9.599 -8.699 1.00 0.00 H new ATOM 646 N TYR C 45 18.432 7.488 -4.678 1.00 0.00 N ATOM 647 CA TYR C 45 18.391 7.003 -3.310 1.00 0.00 C ATOM 648 C TYR C 45 19.617 6.155 -2.986 1.00 0.00 C ATOM 649 O TYR C 45 20.539 6.041 -3.796 1.00 0.00 O ATOM 650 CB TYR C 45 17.115 6.191 -3.060 1.00 0.00 C ATOM 651 CG TYR C 45 15.845 7.012 -3.060 1.00 0.00 C ATOM 652 CD1 TYR C 45 15.373 7.589 -1.889 1.00 0.00 C ATOM 653 CD2 TYR C 45 15.119 7.213 -4.229 1.00 0.00 C ATOM 654 CE1 TYR C 45 14.218 8.343 -1.880 1.00 0.00 C ATOM 655 CE2 TYR C 45 13.961 7.967 -4.226 1.00 0.00 C ATOM 656 CZ TYR C 45 13.517 8.529 -3.049 1.00 0.00 C ATOM 657 OH TYR C 45 12.372 9.290 -3.041 1.00 0.00 O ATOM 0 H TYR C 45 18.672 6.777 -5.369 1.00 0.00 H new ATOM 0 HA TYR C 45 18.392 7.873 -2.654 1.00 0.00 H new ATOM 0 HB2 TYR C 45 17.034 5.418 -3.825 1.00 0.00 H new ATOM 0 HB3 TYR C 45 17.205 5.682 -2.100 1.00 0.00 H new ATOM 0 HD1 TYR C 45 15.920 7.445 -0.969 1.00 0.00 H new ATOM 0 HD2 TYR C 45 15.465 6.773 -5.153 1.00 0.00 H new ATOM 0 HE1 TYR C 45 13.866 8.785 -0.960 1.00 0.00 H new ATOM 0 HE2 TYR C 45 13.407 8.115 -5.141 1.00 0.00 H new ATOM 0 HH TYR C 45 11.996 9.325 -3.945 1.00 0.00 H new ATOM 667 N ALA C 46 19.608 5.586 -1.789 1.00 0.00 N ATOM 668 CA ALA C 46 20.682 4.731 -1.287 1.00 0.00 C ATOM 669 C ALA C 46 20.803 3.423 -2.081 1.00 0.00 C ATOM 670 O ALA C 46 20.368 3.347 -3.236 1.00 0.00 O ATOM 671 CB ALA C 46 20.444 4.443 0.190 1.00 0.00 C ATOM 0 H ALA C 46 18.842 5.706 -1.126 1.00 0.00 H new ATOM 0 HA ALA C 46 21.626 5.261 -1.413 1.00 0.00 H new ATOM 0 HB1 ALA C 46 21.242 3.805 0.570 1.00 0.00 H new ATOM 0 HB2 ALA C 46 20.433 5.380 0.746 1.00 0.00 H new ATOM 0 HB3 ALA C 46 19.486 3.937 0.312 1.00 0.00 H new ATOM 677 N ASP C 47 21.464 2.435 -1.454 1.00 0.00 N ATOM 678 CA ASP C 47 21.654 1.079 -1.998 1.00 0.00 C ATOM 679 C ASP C 47 23.028 0.910 -2.606 1.00 0.00 C ATOM 680 O ASP C 47 23.501 1.755 -3.367 1.00 0.00 O ATOM 681 CB ASP C 47 20.571 0.658 -2.985 1.00 0.00 C ATOM 682 CG ASP C 47 19.381 0.012 -2.312 1.00 0.00 C ATOM 683 OD1 ASP C 47 19.059 0.373 -1.159 1.00 0.00 O ATOM 684 OD2 ASP C 47 18.754 -0.858 -2.946 1.00 0.00 O ATOM 0 H ASP C 47 21.890 2.559 -0.536 1.00 0.00 H new ATOM 0 HA ASP C 47 21.567 0.409 -1.142 1.00 0.00 H new ATOM 0 HB2 ASP C 47 20.236 1.532 -3.544 1.00 0.00 H new ATOM 0 HB3 ASP C 47 20.996 -0.039 -3.708 1.00 0.00 H new ATOM 689 N GLN C 48 23.655 -0.201 -2.242 1.00 0.00 N ATOM 690 CA GLN C 48 25.017 -0.512 -2.597 1.00 0.00 C ATOM 691 C GLN C 48 25.384 -1.844 -1.954 1.00 0.00 C ATOM 692 O GLN C 48 24.497 -2.658 -1.697 1.00 0.00 O ATOM 693 CB GLN C 48 25.956 0.600 -2.143 1.00 0.00 C ATOM 694 CG GLN C 48 25.750 1.051 -0.707 1.00 0.00 C ATOM 695 CD GLN C 48 26.298 2.441 -0.464 1.00 0.00 C ATOM 696 OE1 GLN C 48 27.463 2.610 -0.108 1.00 0.00 O ATOM 697 NE2 GLN C 48 25.461 3.446 -0.670 1.00 0.00 N ATOM 0 H GLN C 48 23.211 -0.925 -1.677 1.00 0.00 H new ATOM 0 HA GLN C 48 25.116 -0.592 -3.680 1.00 0.00 H new ATOM 0 HB2 GLN C 48 26.985 0.260 -2.260 1.00 0.00 H new ATOM 0 HB3 GLN C 48 25.828 1.459 -2.802 1.00 0.00 H new ATOM 0 HG2 GLN C 48 24.686 1.035 -0.471 1.00 0.00 H new ATOM 0 HG3 GLN C 48 26.237 0.347 -0.033 1.00 0.00 H new ATOM 0 HE21 GLN C 48 24.503 3.259 -0.965 1.00 0.00 H new ATOM 0 HE22 GLN C 48 25.775 4.407 -0.534 1.00 0.00 H new ATOM 706 N TYR C 49 26.656 -2.069 -1.663 1.00 0.00 N ATOM 707 CA TYR C 49 27.070 -3.336 -1.078 1.00 0.00 C ATOM 708 C TYR C 49 26.596 -3.426 0.377 1.00 0.00 C ATOM 709 O TYR C 49 26.907 -2.568 1.201 1.00 0.00 O ATOM 710 CB TYR C 49 28.596 -3.510 -1.170 1.00 0.00 C ATOM 711 CG TYR C 49 29.400 -2.532 -0.338 1.00 0.00 C ATOM 712 CD1 TYR C 49 30.002 -2.937 0.848 1.00 0.00 C ATOM 713 CD2 TYR C 49 29.554 -1.208 -0.732 1.00 0.00 C ATOM 714 CE1 TYR C 49 30.732 -2.052 1.614 1.00 0.00 C ATOM 715 CE2 TYR C 49 30.284 -0.319 0.032 1.00 0.00 C ATOM 716 CZ TYR C 49 30.870 -0.744 1.202 1.00 0.00 C ATOM 717 OH TYR C 49 31.597 0.140 1.965 1.00 0.00 O ATOM 0 H TYR C 49 27.411 -1.401 -1.819 1.00 0.00 H new ATOM 0 HA TYR C 49 26.608 -4.146 -1.643 1.00 0.00 H new ATOM 0 HB2 TYR C 49 28.851 -4.524 -0.860 1.00 0.00 H new ATOM 0 HB3 TYR C 49 28.896 -3.410 -2.213 1.00 0.00 H new ATOM 0 HD1 TYR C 49 29.896 -3.961 1.175 1.00 0.00 H new ATOM 0 HD2 TYR C 49 29.096 -0.869 -1.650 1.00 0.00 H new ATOM 0 HE1 TYR C 49 31.193 -2.383 2.533 1.00 0.00 H new ATOM 0 HE2 TYR C 49 30.395 0.707 -0.288 1.00 0.00 H new ATOM 0 HH TYR C 49 31.598 1.020 1.534 1.00 0.00 H new ATOM 727 N MET C 50 25.805 -4.448 0.672 1.00 0.00 N ATOM 728 CA MET C 50 25.258 -4.634 2.008 1.00 0.00 C ATOM 729 C MET C 50 25.731 -5.956 2.593 1.00 0.00 C ATOM 730 O MET C 50 25.916 -6.932 1.863 1.00 0.00 O ATOM 731 CB MET C 50 23.727 -4.603 1.964 1.00 0.00 C ATOM 732 CG MET C 50 23.153 -3.283 1.476 1.00 0.00 C ATOM 733 SD MET C 50 23.600 -1.893 2.536 1.00 0.00 S ATOM 734 CE MET C 50 22.826 -0.538 1.657 1.00 0.00 C ATOM 0 H MET C 50 25.527 -5.164 0.001 1.00 0.00 H new ATOM 0 HA MET C 50 25.611 -3.820 2.642 1.00 0.00 H new ATOM 0 HB2 MET C 50 23.375 -5.404 1.313 1.00 0.00 H new ATOM 0 HB3 MET C 50 23.340 -4.810 2.962 1.00 0.00 H new ATOM 0 HG2 MET C 50 23.507 -3.090 0.463 1.00 0.00 H new ATOM 0 HG3 MET C 50 22.067 -3.361 1.425 1.00 0.00 H new ATOM 0 HE1 MET C 50 23.013 0.395 2.189 1.00 0.00 H new ATOM 0 HE2 MET C 50 23.242 -0.472 0.652 1.00 0.00 H new ATOM 0 HE3 MET C 50 21.752 -0.711 1.594 1.00 0.00 H new ATOM 744 N SER C 51 25.922 -5.971 3.907 1.00 0.00 N ATOM 745 CA SER C 51 26.381 -7.153 4.623 1.00 0.00 C ATOM 746 C SER C 51 25.468 -8.353 4.374 1.00 0.00 C ATOM 747 O SER C 51 24.243 -8.241 4.402 1.00 0.00 O ATOM 748 CB SER C 51 26.455 -6.831 6.114 1.00 0.00 C ATOM 749 OG SER C 51 25.536 -5.802 6.454 1.00 0.00 O ATOM 0 H SER C 51 25.762 -5.161 4.506 1.00 0.00 H new ATOM 0 HA SER C 51 27.370 -7.425 4.255 1.00 0.00 H new ATOM 0 HB2 SER C 51 26.236 -7.727 6.695 1.00 0.00 H new ATOM 0 HB3 SER C 51 27.467 -6.521 6.374 1.00 0.00 H new ATOM 0 HG SER C 51 25.804 -5.392 7.303 1.00 0.00 H new ATOM 755 N ALA C 52 26.096 -9.503 4.147 1.00 0.00 N ATOM 756 CA ALA C 52 25.409 -10.718 3.730 1.00 0.00 C ATOM 757 C ALA C 52 24.472 -11.242 4.799 1.00 0.00 C ATOM 758 O ALA C 52 23.375 -11.703 4.492 1.00 0.00 O ATOM 759 CB ALA C 52 26.420 -11.786 3.355 1.00 0.00 C ATOM 0 H ALA C 52 27.104 -9.617 4.249 1.00 0.00 H new ATOM 0 HA ALA C 52 24.802 -10.466 2.860 1.00 0.00 H new ATOM 0 HB1 ALA C 52 25.896 -12.690 3.045 1.00 0.00 H new ATOM 0 HB2 ALA C 52 27.041 -11.427 2.534 1.00 0.00 H new ATOM 0 HB3 ALA C 52 27.050 -12.009 4.216 1.00 0.00 H new ATOM 765 N GLN C 53 24.902 -11.179 6.052 1.00 0.00 N ATOM 766 CA GLN C 53 24.049 -11.595 7.156 1.00 0.00 C ATOM 767 C GLN C 53 22.816 -10.702 7.211 1.00 0.00 C ATOM 768 O GLN C 53 21.716 -11.142 7.552 1.00 0.00 O ATOM 769 CB GLN C 53 24.804 -11.536 8.485 1.00 0.00 C ATOM 770 CG GLN C 53 25.997 -12.477 8.558 1.00 0.00 C ATOM 771 CD GLN C 53 26.626 -12.533 9.939 1.00 0.00 C ATOM 772 OE1 GLN C 53 26.545 -11.440 10.682 1.00 0.00 O flip ATOM 773 NE2 GLN C 53 27.184 -13.558 10.337 1.00 0.00 N flip ATOM 0 H GLN C 53 25.826 -10.847 6.327 1.00 0.00 H new ATOM 0 HA GLN C 53 23.743 -12.628 6.990 1.00 0.00 H new ATOM 0 HB2 GLN C 53 25.148 -10.515 8.651 1.00 0.00 H new ATOM 0 HB3 GLN C 53 24.114 -11.776 9.294 1.00 0.00 H new ATOM 0 HG2 GLN C 53 25.680 -13.479 8.268 1.00 0.00 H new ATOM 0 HG3 GLN C 53 26.748 -12.159 7.835 1.00 0.00 H new ATOM 0 HE21 GLN C 53 27.227 -14.381 9.736 1.00 0.00 H new ATOM 0 HE22 GLN C 53 27.603 -13.583 11.267 1.00 0.00 H new ATOM 782 N THR C 54 23.010 -9.450 6.829 1.00 0.00 N ATOM 783 CA THR C 54 21.932 -8.483 6.814 1.00 0.00 C ATOM 784 C THR C 54 20.996 -8.777 5.649 1.00 0.00 C ATOM 785 O THR C 54 19.775 -8.769 5.797 1.00 0.00 O ATOM 786 CB THR C 54 22.485 -7.052 6.696 1.00 0.00 C ATOM 787 OG1 THR C 54 23.486 -6.844 7.699 1.00 0.00 O ATOM 788 CG2 THR C 54 21.383 -6.016 6.856 1.00 0.00 C ATOM 0 H THR C 54 23.911 -9.081 6.524 1.00 0.00 H new ATOM 0 HA THR C 54 21.381 -8.561 7.751 1.00 0.00 H new ATOM 0 HB THR C 54 22.919 -6.935 5.703 1.00 0.00 H new ATOM 0 HG1 THR C 54 24.226 -6.325 7.320 1.00 0.00 H new ATOM 0 HG21 THR C 54 21.808 -5.016 6.767 1.00 0.00 H new ATOM 0 HG22 THR C 54 20.632 -6.161 6.080 1.00 0.00 H new ATOM 0 HG23 THR C 54 20.919 -6.127 7.836 1.00 0.00 H new ATOM 796 N VAL C 55 21.586 -9.088 4.503 1.00 0.00 N ATOM 797 CA VAL C 55 20.819 -9.365 3.298 1.00 0.00 C ATOM 798 C VAL C 55 20.037 -10.663 3.443 1.00 0.00 C ATOM 799 O VAL C 55 19.003 -10.841 2.824 1.00 0.00 O ATOM 800 CB VAL C 55 21.743 -9.448 2.053 1.00 0.00 C ATOM 801 CG1 VAL C 55 21.009 -9.957 0.804 1.00 0.00 C ATOM 802 CG2 VAL C 55 22.371 -8.092 1.782 1.00 0.00 C ATOM 0 H VAL C 55 22.597 -9.155 4.383 1.00 0.00 H new ATOM 0 HA VAL C 55 20.119 -8.541 3.158 1.00 0.00 H new ATOM 0 HB VAL C 55 22.523 -10.175 2.278 1.00 0.00 H new ATOM 0 HG11 VAL C 55 21.703 -9.995 -0.036 1.00 0.00 H new ATOM 0 HG12 VAL C 55 20.615 -10.955 0.995 1.00 0.00 H new ATOM 0 HG13 VAL C 55 20.187 -9.283 0.565 1.00 0.00 H new ATOM 0 HG21 VAL C 55 23.018 -8.159 0.907 1.00 0.00 H new ATOM 0 HG22 VAL C 55 21.587 -7.358 1.598 1.00 0.00 H new ATOM 0 HG23 VAL C 55 22.960 -7.785 2.646 1.00 0.00 H new ATOM 812 N ALA C 56 20.530 -11.556 4.279 1.00 0.00 N ATOM 813 CA ALA C 56 19.878 -12.836 4.488 1.00 0.00 C ATOM 814 C ALA C 56 18.543 -12.661 5.191 1.00 0.00 C ATOM 815 O ALA C 56 17.601 -13.407 4.936 1.00 0.00 O ATOM 816 CB ALA C 56 20.780 -13.774 5.274 1.00 0.00 C ATOM 0 H ALA C 56 21.380 -11.419 4.825 1.00 0.00 H new ATOM 0 HA ALA C 56 19.687 -13.280 3.511 1.00 0.00 H new ATOM 0 HB1 ALA C 56 20.274 -14.728 5.420 1.00 0.00 H new ATOM 0 HB2 ALA C 56 21.706 -13.936 4.722 1.00 0.00 H new ATOM 0 HB3 ALA C 56 21.008 -13.332 6.244 1.00 0.00 H new ATOM 822 N VAL C 57 18.452 -11.672 6.069 1.00 0.00 N ATOM 823 CA VAL C 57 17.196 -11.430 6.775 1.00 0.00 C ATOM 824 C VAL C 57 16.348 -10.423 6.011 1.00 0.00 C ATOM 825 O VAL C 57 15.117 -10.460 6.061 1.00 0.00 O ATOM 826 CB VAL C 57 17.404 -10.908 8.209 1.00 0.00 C ATOM 827 CG1 VAL C 57 16.198 -11.233 9.076 1.00 0.00 C ATOM 828 CG2 VAL C 57 18.678 -11.469 8.823 1.00 0.00 C ATOM 0 H VAL C 57 19.212 -11.036 6.308 1.00 0.00 H new ATOM 0 HA VAL C 57 16.691 -12.394 6.837 1.00 0.00 H new ATOM 0 HB VAL C 57 17.511 -9.824 8.159 1.00 0.00 H new ATOM 0 HG11 VAL C 57 16.363 -10.856 10.085 1.00 0.00 H new ATOM 0 HG12 VAL C 57 15.310 -10.763 8.654 1.00 0.00 H new ATOM 0 HG13 VAL C 57 16.055 -12.313 9.111 1.00 0.00 H new ATOM 0 HG21 VAL C 57 18.796 -11.081 9.835 1.00 0.00 H new ATOM 0 HG22 VAL C 57 18.618 -12.557 8.856 1.00 0.00 H new ATOM 0 HG23 VAL C 57 19.535 -11.171 8.219 1.00 0.00 H new ATOM 838 N PHE C 58 17.012 -9.521 5.299 1.00 0.00 N ATOM 839 CA PHE C 58 16.315 -8.488 4.542 1.00 0.00 C ATOM 840 C PHE C 58 16.090 -8.914 3.097 1.00 0.00 C ATOM 841 O PHE C 58 15.651 -8.115 2.273 1.00 0.00 O ATOM 842 CB PHE C 58 17.086 -7.166 4.574 1.00 0.00 C ATOM 843 CG PHE C 58 16.967 -6.421 5.874 1.00 0.00 C ATOM 844 CD1 PHE C 58 15.949 -5.501 6.065 1.00 0.00 C ATOM 845 CD2 PHE C 58 17.869 -6.638 6.901 1.00 0.00 C ATOM 846 CE1 PHE C 58 15.836 -4.810 7.256 1.00 0.00 C ATOM 847 CE2 PHE C 58 17.761 -5.951 8.093 1.00 0.00 C ATOM 848 CZ PHE C 58 16.743 -5.037 8.271 1.00 0.00 C ATOM 0 H PHE C 58 18.029 -9.483 5.230 1.00 0.00 H new ATOM 0 HA PHE C 58 15.345 -8.343 5.017 1.00 0.00 H new ATOM 0 HB2 PHE C 58 18.139 -7.366 4.377 1.00 0.00 H new ATOM 0 HB3 PHE C 58 16.726 -6.528 3.767 1.00 0.00 H new ATOM 0 HD1 PHE C 58 15.236 -5.322 5.274 1.00 0.00 H new ATOM 0 HD2 PHE C 58 18.667 -7.354 6.768 1.00 0.00 H new ATOM 0 HE1 PHE C 58 15.039 -4.094 7.392 1.00 0.00 H new ATOM 0 HE2 PHE C 58 18.473 -6.129 8.886 1.00 0.00 H new ATOM 0 HZ PHE C 58 16.656 -4.500 9.204 1.00 0.00 H new ATOM 858 N LYS C 59 16.408 -10.172 2.800 1.00 0.00 N ATOM 859 CA LYS C 59 16.249 -10.733 1.463 1.00 0.00 C ATOM 860 C LYS C 59 14.798 -10.642 0.983 1.00 0.00 C ATOM 861 O LYS C 59 13.918 -11.349 1.484 1.00 0.00 O ATOM 862 CB LYS C 59 16.731 -12.186 1.475 1.00 0.00 C ATOM 863 CG LYS C 59 16.466 -12.950 0.194 1.00 0.00 C ATOM 864 CD LYS C 59 17.186 -12.336 -0.996 1.00 0.00 C ATOM 865 CE LYS C 59 16.933 -13.134 -2.266 1.00 0.00 C ATOM 866 NZ LYS C 59 17.509 -14.503 -2.183 1.00 0.00 N ATOM 0 H LYS C 59 16.784 -10.831 3.482 1.00 0.00 H new ATOM 0 HA LYS C 59 16.850 -10.154 0.762 1.00 0.00 H new ATOM 0 HB2 LYS C 59 17.803 -12.198 1.674 1.00 0.00 H new ATOM 0 HB3 LYS C 59 16.248 -12.708 2.301 1.00 0.00 H new ATOM 0 HG2 LYS C 59 16.786 -13.985 0.317 1.00 0.00 H new ATOM 0 HG3 LYS C 59 15.394 -12.969 -0.001 1.00 0.00 H new ATOM 0 HD2 LYS C 59 16.850 -11.309 -1.136 1.00 0.00 H new ATOM 0 HD3 LYS C 59 18.257 -12.297 -0.796 1.00 0.00 H new ATOM 0 HE2 LYS C 59 15.860 -13.202 -2.445 1.00 0.00 H new ATOM 0 HE3 LYS C 59 17.366 -12.609 -3.117 1.00 0.00 H new ATOM 0 HZ1 LYS C 59 18.257 -14.609 -2.898 1.00 0.00 H new ATOM 0 HZ2 LYS C 59 17.911 -14.653 -1.236 1.00 0.00 H new ATOM 0 HZ3 LYS C 59 16.762 -15.205 -2.357 1.00 0.00 H new ATOM 880 N PRO C 60 14.529 -9.755 0.010 1.00 0.00 N ATOM 881 CA PRO C 60 13.214 -9.538 -0.546 1.00 0.00 C ATOM 882 C PRO C 60 13.071 -10.167 -1.936 1.00 0.00 C ATOM 883 O PRO C 60 13.702 -11.182 -2.235 1.00 0.00 O ATOM 884 CB PRO C 60 13.206 -8.013 -0.631 1.00 0.00 C ATOM 885 CG PRO C 60 14.623 -7.641 -0.964 1.00 0.00 C ATOM 886 CD PRO C 60 15.484 -8.840 -0.628 1.00 0.00 C ATOM 0 HA PRO C 60 12.401 -9.976 0.033 1.00 0.00 H new ATOM 0 HB2 PRO C 60 12.514 -7.663 -1.397 1.00 0.00 H new ATOM 0 HB3 PRO C 60 12.890 -7.566 0.312 1.00 0.00 H new ATOM 0 HG2 PRO C 60 14.716 -7.382 -2.019 1.00 0.00 H new ATOM 0 HG3 PRO C 60 14.937 -6.768 -0.392 1.00 0.00 H new ATOM 0 HD2 PRO C 60 15.932 -9.279 -1.519 1.00 0.00 H new ATOM 0 HD3 PRO C 60 16.302 -8.576 0.043 1.00 0.00 H new ATOM 894 N GLU C 61 12.253 -9.550 -2.778 1.00 0.00 N ATOM 895 CA GLU C 61 12.004 -10.047 -4.127 1.00 0.00 C ATOM 896 C GLU C 61 12.111 -8.922 -5.144 1.00 0.00 C ATOM 897 O GLU C 61 11.419 -7.912 -5.032 1.00 0.00 O ATOM 898 CB GLU C 61 10.617 -10.670 -4.228 1.00 0.00 C ATOM 899 CG GLU C 61 10.456 -11.950 -3.435 1.00 0.00 C ATOM 900 CD GLU C 61 9.169 -12.663 -3.773 1.00 0.00 C ATOM 901 OE1 GLU C 61 8.106 -12.245 -3.276 1.00 0.00 O ATOM 902 OE2 GLU C 61 9.214 -13.640 -4.549 1.00 0.00 O ATOM 0 H GLU C 61 11.745 -8.696 -2.548 1.00 0.00 H new ATOM 0 HA GLU C 61 12.758 -10.804 -4.340 1.00 0.00 H new ATOM 0 HB2 GLU C 61 9.879 -9.946 -3.883 1.00 0.00 H new ATOM 0 HB3 GLU C 61 10.397 -10.874 -5.276 1.00 0.00 H new ATOM 0 HG2 GLU C 61 11.300 -12.610 -3.635 1.00 0.00 H new ATOM 0 HG3 GLU C 61 10.476 -11.722 -2.369 1.00 0.00 H new ATOM 909 N VAL C 62 12.972 -9.101 -6.135 1.00 0.00 N ATOM 910 CA VAL C 62 13.143 -8.121 -7.181 1.00 0.00 C ATOM 911 C VAL C 62 11.836 -7.905 -7.926 1.00 0.00 C ATOM 912 O VAL C 62 11.213 -8.833 -8.452 1.00 0.00 O ATOM 913 CB VAL C 62 14.264 -8.505 -8.170 1.00 0.00 C ATOM 914 CG1 VAL C 62 15.599 -8.611 -7.447 1.00 0.00 C ATOM 915 CG2 VAL C 62 13.933 -9.803 -8.882 1.00 0.00 C ATOM 0 H VAL C 62 13.565 -9.926 -6.231 1.00 0.00 H new ATOM 0 HA VAL C 62 13.442 -7.190 -6.699 1.00 0.00 H new ATOM 0 HB VAL C 62 14.342 -7.719 -8.921 1.00 0.00 H new ATOM 0 HG11 VAL C 62 16.378 -8.883 -8.159 1.00 0.00 H new ATOM 0 HG12 VAL C 62 15.843 -7.652 -6.991 1.00 0.00 H new ATOM 0 HG13 VAL C 62 15.534 -9.375 -6.672 1.00 0.00 H new ATOM 0 HG21 VAL C 62 14.737 -10.054 -9.574 1.00 0.00 H new ATOM 0 HG22 VAL C 62 13.823 -10.602 -8.149 1.00 0.00 H new ATOM 0 HG23 VAL C 62 13.001 -9.687 -9.435 1.00 0.00 H new ATOM 925 N GLY C 63 11.408 -6.675 -7.901 1.00 0.00 N ATOM 926 CA GLY C 63 10.180 -6.291 -8.562 1.00 0.00 C ATOM 927 C GLY C 63 9.084 -5.944 -7.578 1.00 0.00 C ATOM 928 O GLY C 63 8.083 -5.324 -7.948 1.00 0.00 O ATOM 0 H GLY C 63 11.891 -5.911 -7.428 1.00 0.00 H new ATOM 0 HA2 GLY C 63 10.370 -5.434 -9.208 1.00 0.00 H new ATOM 0 HA3 GLY C 63 9.845 -7.106 -9.204 1.00 0.00 H new ATOM 932 N GLY C 64 9.264 -6.340 -6.322 1.00 0.00 N ATOM 933 CA GLY C 64 8.293 -6.029 -5.307 1.00 0.00 C ATOM 934 C GLY C 64 8.434 -4.610 -4.806 1.00 0.00 C ATOM 935 O GLY C 64 9.215 -3.819 -5.341 1.00 0.00 O ATOM 0 H GLY C 64 10.070 -6.872 -5.995 1.00 0.00 H new ATOM 0 HA2 GLY C 64 7.290 -6.174 -5.708 1.00 0.00 H new ATOM 0 HA3 GLY C 64 8.406 -6.721 -4.473 1.00 0.00 H new ATOM 939 N TYR C 65 7.694 -4.297 -3.769 1.00 0.00 N ATOM 940 CA TYR C 65 7.652 -2.945 -3.238 1.00 0.00 C ATOM 941 C TYR C 65 8.006 -2.935 -1.760 1.00 0.00 C ATOM 942 O TYR C 65 7.269 -3.467 -0.928 1.00 0.00 O ATOM 943 CB TYR C 65 6.268 -2.331 -3.465 1.00 0.00 C ATOM 944 CG TYR C 65 5.906 -2.209 -4.928 1.00 0.00 C ATOM 945 CD1 TYR C 65 6.200 -1.055 -5.643 1.00 0.00 C ATOM 946 CD2 TYR C 65 5.286 -3.256 -5.598 1.00 0.00 C ATOM 947 CE1 TYR C 65 5.884 -0.948 -6.984 1.00 0.00 C ATOM 948 CE2 TYR C 65 4.966 -3.155 -6.937 1.00 0.00 C ATOM 949 CZ TYR C 65 5.268 -2.001 -7.626 1.00 0.00 C ATOM 950 OH TYR C 65 4.954 -1.903 -8.963 1.00 0.00 O ATOM 0 H TYR C 65 7.106 -4.963 -3.269 1.00 0.00 H new ATOM 0 HA TYR C 65 8.391 -2.343 -3.766 1.00 0.00 H new ATOM 0 HB2 TYR C 65 5.519 -2.942 -2.961 1.00 0.00 H new ATOM 0 HB3 TYR C 65 6.235 -1.343 -3.005 1.00 0.00 H new ATOM 0 HD1 TYR C 65 6.683 -0.228 -5.143 1.00 0.00 H new ATOM 0 HD2 TYR C 65 5.050 -4.164 -5.063 1.00 0.00 H new ATOM 0 HE1 TYR C 65 6.118 -0.044 -7.526 1.00 0.00 H new ATOM 0 HE2 TYR C 65 4.481 -3.977 -7.442 1.00 0.00 H new ATOM 0 HH TYR C 65 4.525 -2.733 -9.260 1.00 0.00 H new ATOM 960 N LEU C 66 9.152 -2.352 -1.451 1.00 0.00 N ATOM 961 CA LEU C 66 9.589 -2.183 -0.076 1.00 0.00 C ATOM 962 C LEU C 66 8.980 -0.898 0.467 1.00 0.00 C ATOM 963 O LEU C 66 8.767 0.048 -0.286 1.00 0.00 O ATOM 964 CB LEU C 66 11.120 -2.115 -0.022 1.00 0.00 C ATOM 965 CG LEU C 66 11.741 -2.123 1.375 1.00 0.00 C ATOM 966 CD1 LEU C 66 11.641 -3.508 1.995 1.00 0.00 C ATOM 967 CD2 LEU C 66 13.192 -1.666 1.315 1.00 0.00 C ATOM 0 H LEU C 66 9.804 -1.984 -2.144 1.00 0.00 H new ATOM 0 HA LEU C 66 9.264 -3.028 0.531 1.00 0.00 H new ATOM 0 HB2 LEU C 66 11.522 -2.960 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU C 66 11.442 -1.210 -0.536 1.00 0.00 H new ATOM 0 HG LEU C 66 11.187 -1.426 2.003 1.00 0.00 H new ATOM 0 HD11 LEU C 66 12.088 -3.495 2.989 1.00 0.00 H new ATOM 0 HD12 LEU C 66 10.593 -3.797 2.072 1.00 0.00 H new ATOM 0 HD13 LEU C 66 12.170 -4.226 1.369 1.00 0.00 H new ATOM 0 HD21 LEU C 66 13.619 -1.678 2.318 1.00 0.00 H new ATOM 0 HD22 LEU C 66 13.759 -2.339 0.671 1.00 0.00 H new ATOM 0 HD23 LEU C 66 13.238 -0.654 0.913 1.00 0.00 H new ATOM 979 N PHE C 67 8.675 -0.854 1.748 1.00 0.00 N ATOM 980 CA PHE C 67 8.079 0.338 2.321 1.00 0.00 C ATOM 981 C PHE C 67 8.519 0.544 3.765 1.00 0.00 C ATOM 982 O PHE C 67 8.868 -0.413 4.458 1.00 0.00 O ATOM 983 CB PHE C 67 6.549 0.277 2.214 1.00 0.00 C ATOM 984 CG PHE C 67 5.917 -0.946 2.828 1.00 0.00 C ATOM 985 CD1 PHE C 67 5.604 -2.043 2.042 1.00 0.00 C ATOM 986 CD2 PHE C 67 5.621 -0.990 4.181 1.00 0.00 C ATOM 987 CE1 PHE C 67 5.012 -3.161 2.594 1.00 0.00 C ATOM 988 CE2 PHE C 67 5.030 -2.108 4.737 1.00 0.00 C ATOM 989 CZ PHE C 67 4.723 -3.194 3.942 1.00 0.00 C ATOM 0 H PHE C 67 8.827 -1.619 2.406 1.00 0.00 H new ATOM 0 HA PHE C 67 8.430 1.197 1.750 1.00 0.00 H new ATOM 0 HB2 PHE C 67 6.131 1.163 2.692 1.00 0.00 H new ATOM 0 HB3 PHE C 67 6.271 0.322 1.161 1.00 0.00 H new ATOM 0 HD1 PHE C 67 5.826 -2.023 0.985 1.00 0.00 H new ATOM 0 HD2 PHE C 67 5.855 -0.142 4.807 1.00 0.00 H new ATOM 0 HE1 PHE C 67 4.775 -4.010 1.970 1.00 0.00 H new ATOM 0 HE2 PHE C 67 4.808 -2.132 5.794 1.00 0.00 H new ATOM 0 HZ PHE C 67 4.258 -4.067 4.375 1.00 0.00 H new ATOM 999 N ARG C 68 8.515 1.799 4.201 1.00 0.00 N ATOM 1000 CA ARG C 68 8.891 2.144 5.565 1.00 0.00 C ATOM 1001 C ARG C 68 8.089 3.337 6.044 1.00 0.00 C ATOM 1002 O ARG C 68 7.766 4.235 5.262 1.00 0.00 O ATOM 1003 CB ARG C 68 10.390 2.443 5.672 1.00 0.00 C ATOM 1004 CG ARG C 68 10.914 3.402 4.616 1.00 0.00 C ATOM 1005 CD ARG C 68 12.339 3.844 4.920 1.00 0.00 C ATOM 1006 NE ARG C 68 13.205 2.717 5.277 1.00 0.00 N ATOM 1007 CZ ARG C 68 14.265 2.323 4.568 1.00 0.00 C ATOM 1008 NH1 ARG C 68 14.576 2.931 3.429 1.00 0.00 N ATOM 1009 NH2 ARG C 68 15.015 1.316 5.001 1.00 0.00 N ATOM 0 H ARG C 68 8.253 2.598 3.624 1.00 0.00 H new ATOM 0 HA ARG C 68 8.671 1.285 6.199 1.00 0.00 H new ATOM 0 HB2 ARG C 68 10.596 2.859 6.658 1.00 0.00 H new ATOM 0 HB3 ARG C 68 10.941 1.506 5.600 1.00 0.00 H new ATOM 0 HG2 ARG C 68 10.882 2.921 3.638 1.00 0.00 H new ATOM 0 HG3 ARG C 68 10.265 4.276 4.563 1.00 0.00 H new ATOM 0 HD2 ARG C 68 12.752 4.356 4.051 1.00 0.00 H new ATOM 0 HD3 ARG C 68 12.327 4.564 5.738 1.00 0.00 H new ATOM 0 HE ARG C 68 12.982 2.198 6.126 1.00 0.00 H new ATOM 0 HH11 ARG C 68 14.003 3.704 3.091 1.00 0.00 H new ATOM 0 HH12 ARG C 68 15.388 2.625 2.892 1.00 0.00 H new ATOM 0 HH21 ARG C 68 14.781 0.844 5.875 1.00 0.00 H new ATOM 0 HH22 ARG C 68 15.825 1.014 4.460 1.00 0.00 H new ATOM 1023 N SER C 69 7.756 3.343 7.322 1.00 0.00 N ATOM 1024 CA SER C 69 6.961 4.421 7.883 1.00 0.00 C ATOM 1025 C SER C 69 7.748 5.217 8.912 1.00 0.00 C ATOM 1026 O SER C 69 8.929 4.956 9.149 1.00 0.00 O ATOM 1027 CB SER C 69 5.681 3.873 8.519 1.00 0.00 C ATOM 1028 OG SER C 69 5.983 2.993 9.591 1.00 0.00 O ATOM 0 H SER C 69 8.022 2.618 7.988 1.00 0.00 H new ATOM 0 HA SER C 69 6.696 5.090 7.064 1.00 0.00 H new ATOM 0 HB2 SER C 69 5.069 4.698 8.883 1.00 0.00 H new ATOM 0 HB3 SER C 69 5.093 3.347 7.767 1.00 0.00 H new ATOM 0 HG SER C 69 5.158 2.573 9.911 1.00 0.00 H new ATOM 1034 N GLN C 70 7.077 6.186 9.512 1.00 0.00 N ATOM 1035 CA GLN C 70 7.660 7.027 10.552 1.00 0.00 C ATOM 1036 C GLN C 70 8.177 6.181 11.704 1.00 0.00 C ATOM 1037 O GLN C 70 9.263 6.409 12.238 1.00 0.00 O ATOM 1038 CB GLN C 70 6.593 7.960 11.095 1.00 0.00 C ATOM 1039 CG GLN C 70 5.901 8.786 10.030 1.00 0.00 C ATOM 1040 CD GLN C 70 4.638 9.446 10.540 1.00 0.00 C ATOM 1041 OE1 GLN C 70 3.676 9.615 9.652 1.00 0.00 O flip ATOM 1042 NE2 GLN C 70 4.524 9.784 11.717 1.00 0.00 N flip ATOM 0 H GLN C 70 6.108 6.415 9.292 1.00 0.00 H new ATOM 0 HA GLN C 70 8.486 7.589 10.116 1.00 0.00 H new ATOM 0 HB2 GLN C 70 5.846 7.371 11.627 1.00 0.00 H new ATOM 0 HB3 GLN C 70 7.048 8.631 11.823 1.00 0.00 H new ATOM 0 HG2 GLN C 70 6.586 9.552 9.666 1.00 0.00 H new ATOM 0 HG3 GLN C 70 5.656 8.148 9.181 1.00 0.00 H new ATOM 0 HE21 GLN C 70 5.295 9.633 12.368 1.00 0.00 H new ATOM 0 HE22 GLN C 70 3.659 10.215 12.042 1.00 0.00 H new ATOM 1051 N TYR C 71 7.381 5.186 12.062 1.00 0.00 N ATOM 1052 CA TYR C 71 7.649 4.342 13.214 1.00 0.00 C ATOM 1053 C TYR C 71 8.708 3.307 12.867 1.00 0.00 C ATOM 1054 O TYR C 71 9.034 2.433 13.666 1.00 0.00 O ATOM 1055 CB TYR C 71 6.348 3.669 13.657 1.00 0.00 C ATOM 1056 CG TYR C 71 5.174 4.627 13.663 1.00 0.00 C ATOM 1057 CD1 TYR C 71 4.339 4.738 12.556 1.00 0.00 C ATOM 1058 CD2 TYR C 71 4.919 5.439 14.760 1.00 0.00 C ATOM 1059 CE1 TYR C 71 3.287 5.631 12.543 1.00 0.00 C ATOM 1060 CE2 TYR C 71 3.864 6.330 14.755 1.00 0.00 C ATOM 1061 CZ TYR C 71 3.052 6.423 13.644 1.00 0.00 C ATOM 1062 OH TYR C 71 2.010 7.318 13.631 1.00 0.00 O ATOM 0 H TYR C 71 6.528 4.941 11.559 1.00 0.00 H new ATOM 0 HA TYR C 71 8.029 4.948 14.036 1.00 0.00 H new ATOM 0 HB2 TYR C 71 6.129 2.835 12.991 1.00 0.00 H new ATOM 0 HB3 TYR C 71 6.479 3.253 14.656 1.00 0.00 H new ATOM 0 HD1 TYR C 71 4.517 4.115 11.692 1.00 0.00 H new ATOM 0 HD2 TYR C 71 5.555 5.373 15.630 1.00 0.00 H new ATOM 0 HE1 TYR C 71 2.651 5.708 11.673 1.00 0.00 H new ATOM 0 HE2 TYR C 71 3.675 6.952 15.618 1.00 0.00 H new ATOM 0 HH TYR C 71 1.981 7.798 14.485 1.00 0.00 H new ATOM 1072 N GLY C 72 9.230 3.417 11.655 1.00 0.00 N ATOM 1073 CA GLY C 72 10.305 2.552 11.217 1.00 0.00 C ATOM 1074 C GLY C 72 9.830 1.164 10.846 1.00 0.00 C ATOM 1075 O GLY C 72 10.582 0.196 10.958 1.00 0.00 O ATOM 0 H GLY C 72 8.924 4.098 10.960 1.00 0.00 H new ATOM 0 HA2 GLY C 72 10.800 3.003 10.357 1.00 0.00 H new ATOM 0 HA3 GLY C 72 11.049 2.476 12.010 1.00 0.00 H new ATOM 1079 N GLU C 73 8.583 1.062 10.412 1.00 0.00 N ATOM 1080 CA GLU C 73 8.036 -0.213 9.975 1.00 0.00 C ATOM 1081 C GLU C 73 8.581 -0.567 8.601 1.00 0.00 C ATOM 1082 O GLU C 73 8.193 0.033 7.601 1.00 0.00 O ATOM 1083 CB GLU C 73 6.512 -0.155 9.935 1.00 0.00 C ATOM 1084 CG GLU C 73 5.886 0.151 11.282 1.00 0.00 C ATOM 1085 CD GLU C 73 4.398 0.380 11.177 1.00 0.00 C ATOM 1086 OE1 GLU C 73 3.624 -0.564 11.433 1.00 0.00 O ATOM 1087 OE2 GLU C 73 3.992 1.511 10.832 1.00 0.00 O ATOM 0 H GLU C 73 7.932 1.845 10.353 1.00 0.00 H new ATOM 0 HA GLU C 73 8.335 -0.983 10.686 1.00 0.00 H new ATOM 0 HB2 GLU C 73 6.203 0.606 9.218 1.00 0.00 H new ATOM 0 HB3 GLU C 73 6.129 -1.109 9.573 1.00 0.00 H new ATOM 0 HG2 GLU C 73 6.078 -0.675 11.967 1.00 0.00 H new ATOM 0 HG3 GLU C 73 6.359 1.035 11.709 1.00 0.00 H new ATOM 1094 N LEU C 74 9.494 -1.522 8.565 1.00 0.00 N ATOM 1095 CA LEU C 74 10.123 -1.921 7.318 1.00 0.00 C ATOM 1096 C LEU C 74 9.616 -3.287 6.883 1.00 0.00 C ATOM 1097 O LEU C 74 9.643 -4.246 7.654 1.00 0.00 O ATOM 1098 CB LEU C 74 11.648 -1.934 7.469 1.00 0.00 C ATOM 1099 CG LEU C 74 12.458 -2.014 6.165 1.00 0.00 C ATOM 1100 CD1 LEU C 74 12.448 -3.414 5.570 1.00 0.00 C ATOM 1101 CD2 LEU C 74 11.949 -0.999 5.154 1.00 0.00 C ATOM 0 H LEU C 74 9.816 -2.036 9.385 1.00 0.00 H new ATOM 0 HA LEU C 74 9.861 -1.196 6.548 1.00 0.00 H new ATOM 0 HB2 LEU C 74 11.947 -1.032 8.003 1.00 0.00 H new ATOM 0 HB3 LEU C 74 11.923 -2.782 8.096 1.00 0.00 H new ATOM 0 HG LEU C 74 13.492 -1.775 6.413 1.00 0.00 H new ATOM 0 HD11 LEU C 74 13.033 -3.423 4.650 1.00 0.00 H new ATOM 0 HD12 LEU C 74 12.882 -4.115 6.283 1.00 0.00 H new ATOM 0 HD13 LEU C 74 11.422 -3.709 5.350 1.00 0.00 H new ATOM 0 HD21 LEU C 74 12.536 -1.072 4.238 1.00 0.00 H new ATOM 0 HD22 LEU C 74 10.901 -1.201 4.931 1.00 0.00 H new ATOM 0 HD23 LEU C 74 12.045 0.005 5.567 1.00 0.00 H new ATOM 1113 N LEU C 75 9.205 -3.360 5.627 1.00 0.00 N ATOM 1114 CA LEU C 75 8.595 -4.560 5.047 1.00 0.00 C ATOM 1115 C LEU C 75 8.513 -4.412 3.534 1.00 0.00 C ATOM 1116 O LEU C 75 8.627 -3.304 3.014 1.00 0.00 O ATOM 1117 CB LEU C 75 7.173 -4.789 5.593 1.00 0.00 C ATOM 1118 CG LEU C 75 7.064 -5.335 7.019 1.00 0.00 C ATOM 1119 CD1 LEU C 75 5.618 -5.302 7.490 1.00 0.00 C ATOM 1120 CD2 LEU C 75 7.608 -6.753 7.092 1.00 0.00 C ATOM 0 H LEU C 75 9.283 -2.584 4.970 1.00 0.00 H new ATOM 0 HA LEU C 75 9.218 -5.412 5.318 1.00 0.00 H new ATOM 0 HB2 LEU C 75 6.635 -3.842 5.549 1.00 0.00 H new ATOM 0 HB3 LEU C 75 6.659 -5.479 4.924 1.00 0.00 H new ATOM 0 HG LEU C 75 7.661 -4.701 7.675 1.00 0.00 H new ATOM 0 HD11 LEU C 75 5.557 -5.693 8.505 1.00 0.00 H new ATOM 0 HD12 LEU C 75 5.254 -4.275 7.475 1.00 0.00 H new ATOM 0 HD13 LEU C 75 5.006 -5.914 6.828 1.00 0.00 H new ATOM 0 HD21 LEU C 75 7.522 -7.124 8.113 1.00 0.00 H new ATOM 0 HD22 LEU C 75 7.037 -7.397 6.423 1.00 0.00 H new ATOM 0 HD23 LEU C 75 8.656 -6.757 6.792 1.00 0.00 H new ATOM 1132 N TYR C 76 8.321 -5.520 2.829 1.00 0.00 N ATOM 1133 CA TYR C 76 8.075 -5.473 1.392 1.00 0.00 C ATOM 1134 C TYR C 76 6.836 -6.296 1.067 1.00 0.00 C ATOM 1135 O TYR C 76 6.546 -7.280 1.750 1.00 0.00 O ATOM 1136 CB TYR C 76 9.286 -5.988 0.596 1.00 0.00 C ATOM 1137 CG TYR C 76 9.419 -7.496 0.556 1.00 0.00 C ATOM 1138 CD1 TYR C 76 10.095 -8.186 1.554 1.00 0.00 C ATOM 1139 CD2 TYR C 76 8.865 -8.228 -0.488 1.00 0.00 C ATOM 1140 CE1 TYR C 76 10.210 -9.563 1.515 1.00 0.00 C ATOM 1141 CE2 TYR C 76 8.976 -9.602 -0.534 1.00 0.00 C ATOM 1142 CZ TYR C 76 9.649 -10.265 0.469 1.00 0.00 C ATOM 1143 OH TYR C 76 9.760 -11.636 0.429 1.00 0.00 O ATOM 0 H TYR C 76 8.331 -6.459 3.227 1.00 0.00 H new ATOM 0 HA TYR C 76 7.912 -4.435 1.101 1.00 0.00 H new ATOM 0 HB2 TYR C 76 9.218 -5.615 -0.426 1.00 0.00 H new ATOM 0 HB3 TYR C 76 10.194 -5.568 1.029 1.00 0.00 H new ATOM 0 HD1 TYR C 76 10.538 -7.638 2.373 1.00 0.00 H new ATOM 0 HD2 TYR C 76 8.338 -7.712 -1.277 1.00 0.00 H new ATOM 0 HE1 TYR C 76 10.736 -10.086 2.300 1.00 0.00 H new ATOM 0 HE2 TYR C 76 8.538 -10.155 -1.352 1.00 0.00 H new ATOM 0 HH TYR C 76 9.310 -11.977 -0.372 1.00 0.00 H new ATOM 1153 N MET C 77 6.097 -5.893 0.045 1.00 0.00 N ATOM 1154 CA MET C 77 4.869 -6.583 -0.311 1.00 0.00 C ATOM 1155 C MET C 77 4.557 -6.425 -1.798 1.00 0.00 C ATOM 1156 O MET C 77 4.929 -5.426 -2.415 1.00 0.00 O ATOM 1157 CB MET C 77 3.734 -6.017 0.537 1.00 0.00 C ATOM 1158 CG MET C 77 2.447 -6.819 0.490 1.00 0.00 C ATOM 1159 SD MET C 77 1.294 -6.315 1.782 1.00 0.00 S ATOM 1160 CE MET C 77 2.316 -6.570 3.234 1.00 0.00 C ATOM 0 H MET C 77 6.325 -5.096 -0.549 1.00 0.00 H new ATOM 0 HA MET C 77 4.985 -7.649 -0.117 1.00 0.00 H new ATOM 0 HB2 MET C 77 4.069 -5.954 1.572 1.00 0.00 H new ATOM 0 HB3 MET C 77 3.524 -5.000 0.207 1.00 0.00 H new ATOM 0 HG2 MET C 77 1.977 -6.694 -0.485 1.00 0.00 H new ATOM 0 HG3 MET C 77 2.675 -7.879 0.600 1.00 0.00 H new ATOM 0 HE1 MET C 77 1.682 -6.812 4.087 1.00 0.00 H new ATOM 0 HE2 MET C 77 3.009 -7.392 3.052 1.00 0.00 H new ATOM 0 HE3 MET C 77 2.879 -5.661 3.447 1.00 0.00 H new ATOM 1170 N SER C 78 3.903 -7.433 -2.368 1.00 0.00 N ATOM 1171 CA SER C 78 3.437 -7.374 -3.748 1.00 0.00 C ATOM 1172 C SER C 78 2.304 -6.356 -3.878 1.00 0.00 C ATOM 1173 O SER C 78 1.511 -6.176 -2.951 1.00 0.00 O ATOM 1174 CB SER C 78 2.976 -8.765 -4.197 1.00 0.00 C ATOM 1175 OG SER C 78 2.097 -9.351 -3.248 1.00 0.00 O ATOM 0 H SER C 78 3.683 -8.307 -1.890 1.00 0.00 H new ATOM 0 HA SER C 78 4.256 -7.054 -4.393 1.00 0.00 H new ATOM 0 HB2 SER C 78 2.474 -8.690 -5.162 1.00 0.00 H new ATOM 0 HB3 SER C 78 3.844 -9.410 -4.338 1.00 0.00 H new ATOM 0 HG SER C 78 1.819 -10.236 -3.563 1.00 0.00 H new ATOM 1181 N LYS C 79 2.242 -5.699 -5.041 1.00 0.00 N ATOM 1182 CA LYS C 79 1.423 -4.498 -5.229 1.00 0.00 C ATOM 1183 C LYS C 79 -0.048 -4.719 -4.899 1.00 0.00 C ATOM 1184 O LYS C 79 -0.726 -3.788 -4.479 1.00 0.00 O ATOM 1185 CB LYS C 79 1.547 -3.968 -6.660 1.00 0.00 C ATOM 1186 CG LYS C 79 0.954 -4.884 -7.719 1.00 0.00 C ATOM 1187 CD LYS C 79 1.197 -4.345 -9.118 1.00 0.00 C ATOM 1188 CE LYS C 79 0.463 -5.160 -10.169 1.00 0.00 C ATOM 1189 NZ LYS C 79 -1.013 -5.049 -10.038 1.00 0.00 N ATOM 0 H LYS C 79 2.756 -5.984 -5.875 1.00 0.00 H new ATOM 0 HA LYS C 79 1.811 -3.761 -4.526 1.00 0.00 H new ATOM 0 HB2 LYS C 79 1.055 -2.997 -6.719 1.00 0.00 H new ATOM 0 HB3 LYS C 79 2.601 -3.806 -6.885 1.00 0.00 H new ATOM 0 HG2 LYS C 79 1.392 -5.878 -7.629 1.00 0.00 H new ATOM 0 HG3 LYS C 79 -0.117 -4.992 -7.550 1.00 0.00 H new ATOM 0 HD2 LYS C 79 0.871 -3.306 -9.170 1.00 0.00 H new ATOM 0 HD3 LYS C 79 2.266 -4.354 -9.331 1.00 0.00 H new ATOM 0 HE2 LYS C 79 0.764 -4.824 -11.161 1.00 0.00 H new ATOM 0 HE3 LYS C 79 0.756 -6.207 -10.084 1.00 0.00 H new ATOM 0 HZ1 LYS C 79 -1.466 -5.401 -10.906 1.00 0.00 H new ATOM 0 HZ2 LYS C 79 -1.333 -5.615 -9.226 1.00 0.00 H new ATOM 0 HZ3 LYS C 79 -1.275 -4.053 -9.890 1.00 0.00 H new ATOM 1203 N THR C 80 -0.532 -5.942 -5.082 1.00 0.00 N ATOM 1204 CA THR C 80 -1.931 -6.254 -4.852 1.00 0.00 C ATOM 1205 C THR C 80 -2.323 -5.981 -3.403 1.00 0.00 C ATOM 1206 O THR C 80 -3.247 -5.215 -3.123 1.00 0.00 O ATOM 1207 CB THR C 80 -2.209 -7.724 -5.205 1.00 0.00 C ATOM 1208 OG1 THR C 80 -1.174 -8.557 -4.655 1.00 0.00 O ATOM 1209 CG2 THR C 80 -2.275 -7.914 -6.712 1.00 0.00 C ATOM 0 H THR C 80 0.030 -6.735 -5.391 1.00 0.00 H new ATOM 0 HA THR C 80 -2.532 -5.611 -5.494 1.00 0.00 H new ATOM 0 HB THR C 80 -3.172 -8.007 -4.779 1.00 0.00 H new ATOM 0 HG1 THR C 80 -1.354 -9.494 -4.880 1.00 0.00 H new ATOM 0 HG21 THR C 80 -2.473 -8.962 -6.938 1.00 0.00 H new ATOM 0 HG22 THR C 80 -3.075 -7.297 -7.122 1.00 0.00 H new ATOM 0 HG23 THR C 80 -1.325 -7.619 -7.158 1.00 0.00 H new ATOM 1217 N ALA C 81 -1.594 -6.591 -2.486 1.00 0.00 N ATOM 1218 CA ALA C 81 -1.843 -6.401 -1.069 1.00 0.00 C ATOM 1219 C ALA C 81 -1.252 -5.083 -0.599 1.00 0.00 C ATOM 1220 O ALA C 81 -1.801 -4.418 0.286 1.00 0.00 O ATOM 1221 CB ALA C 81 -1.245 -7.543 -0.282 1.00 0.00 C ATOM 0 H ALA C 81 -0.823 -7.224 -2.698 1.00 0.00 H new ATOM 0 HA ALA C 81 -2.920 -6.379 -0.905 1.00 0.00 H new ATOM 0 HB1 ALA C 81 -1.437 -7.392 0.780 1.00 0.00 H new ATOM 0 HB2 ALA C 81 -1.697 -8.482 -0.603 1.00 0.00 H new ATOM 0 HB3 ALA C 81 -0.169 -7.580 -0.455 1.00 0.00 H new ATOM 1227 N PHE C 82 -0.130 -4.717 -1.202 1.00 0.00 N ATOM 1228 CA PHE C 82 0.574 -3.496 -0.855 1.00 0.00 C ATOM 1229 C PHE C 82 -0.312 -2.279 -1.056 1.00 0.00 C ATOM 1230 O PHE C 82 -0.450 -1.454 -0.165 1.00 0.00 O ATOM 1231 CB PHE C 82 1.850 -3.365 -1.694 1.00 0.00 C ATOM 1232 CG PHE C 82 2.526 -2.029 -1.583 1.00 0.00 C ATOM 1233 CD1 PHE C 82 3.152 -1.648 -0.409 1.00 0.00 C ATOM 1234 CD2 PHE C 82 2.539 -1.157 -2.660 1.00 0.00 C ATOM 1235 CE1 PHE C 82 3.776 -0.420 -0.310 1.00 0.00 C ATOM 1236 CE2 PHE C 82 3.160 0.072 -2.565 1.00 0.00 C ATOM 1237 CZ PHE C 82 3.779 0.441 -1.389 1.00 0.00 C ATOM 0 H PHE C 82 0.315 -5.258 -1.943 1.00 0.00 H new ATOM 0 HA PHE C 82 0.845 -3.548 0.200 1.00 0.00 H new ATOM 0 HB2 PHE C 82 2.552 -4.141 -1.390 1.00 0.00 H new ATOM 0 HB3 PHE C 82 1.604 -3.549 -2.740 1.00 0.00 H new ATOM 0 HD1 PHE C 82 3.153 -2.318 0.438 1.00 0.00 H new ATOM 0 HD2 PHE C 82 2.058 -1.442 -3.584 1.00 0.00 H new ATOM 0 HE1 PHE C 82 4.261 -0.133 0.611 1.00 0.00 H new ATOM 0 HE2 PHE C 82 3.161 0.744 -3.411 1.00 0.00 H new ATOM 0 HZ PHE C 82 4.265 1.402 -1.312 1.00 0.00 H new ATOM 1247 N GLU C 83 -0.946 -2.175 -2.209 1.00 0.00 N ATOM 1248 CA GLU C 83 -1.718 -0.980 -2.503 1.00 0.00 C ATOM 1249 C GLU C 83 -3.010 -0.958 -1.686 1.00 0.00 C ATOM 1250 O GLU C 83 -3.461 0.100 -1.234 1.00 0.00 O ATOM 1251 CB GLU C 83 -2.012 -0.857 -4.003 1.00 0.00 C ATOM 1252 CG GLU C 83 -3.152 -1.726 -4.494 1.00 0.00 C ATOM 1253 CD GLU C 83 -3.514 -1.431 -5.930 1.00 0.00 C ATOM 1254 OE1 GLU C 83 -2.995 -2.110 -6.836 1.00 0.00 O ATOM 1255 OE2 GLU C 83 -4.336 -0.519 -6.160 1.00 0.00 O ATOM 0 H GLU C 83 -0.944 -2.884 -2.942 1.00 0.00 H new ATOM 0 HA GLU C 83 -1.118 -0.116 -2.217 1.00 0.00 H new ATOM 0 HB2 GLU C 83 -2.241 0.184 -4.231 1.00 0.00 H new ATOM 0 HB3 GLU C 83 -1.111 -1.114 -4.559 1.00 0.00 H new ATOM 0 HG2 GLU C 83 -2.874 -2.776 -4.399 1.00 0.00 H new ATOM 0 HG3 GLU C 83 -4.025 -1.569 -3.861 1.00 0.00 H new ATOM 1262 N ALA C 84 -3.552 -2.135 -1.428 1.00 0.00 N ATOM 1263 CA ALA C 84 -4.857 -2.248 -0.800 1.00 0.00 C ATOM 1264 C ALA C 84 -4.767 -1.869 0.663 1.00 0.00 C ATOM 1265 O ALA C 84 -5.746 -1.430 1.268 1.00 0.00 O ATOM 1266 CB ALA C 84 -5.408 -3.657 -0.959 1.00 0.00 C ATOM 0 H ALA C 84 -3.108 -3.028 -1.644 1.00 0.00 H new ATOM 0 HA ALA C 84 -5.542 -1.560 -1.294 1.00 0.00 H new ATOM 0 HB1 ALA C 84 -6.386 -3.721 -0.482 1.00 0.00 H new ATOM 0 HB2 ALA C 84 -5.505 -3.892 -2.019 1.00 0.00 H new ATOM 0 HB3 ALA C 84 -4.728 -4.369 -0.490 1.00 0.00 H new ATOM 1272 N ASN C 85 -3.582 -2.036 1.228 1.00 0.00 N ATOM 1273 CA ASN C 85 -3.349 -1.637 2.595 1.00 0.00 C ATOM 1274 C ASN C 85 -2.643 -0.291 2.647 1.00 0.00 C ATOM 1275 O ASN C 85 -2.945 0.524 3.509 1.00 0.00 O ATOM 1276 CB ASN C 85 -2.533 -2.690 3.345 1.00 0.00 C ATOM 1277 CG ASN C 85 -3.310 -3.967 3.590 1.00 0.00 C ATOM 1278 OD1 ASN C 85 -3.994 -4.103 4.605 1.00 0.00 O ATOM 1279 ND2 ASN C 85 -3.209 -4.911 2.670 1.00 0.00 N ATOM 0 H ASN C 85 -2.774 -2.444 0.759 1.00 0.00 H new ATOM 0 HA ASN C 85 -4.318 -1.544 3.085 1.00 0.00 H new ATOM 0 HB2 ASN C 85 -1.633 -2.921 2.774 1.00 0.00 H new ATOM 0 HB3 ASN C 85 -2.208 -2.279 4.301 1.00 0.00 H new ATOM 0 HD21 ASN C 85 -3.709 -5.792 2.787 1.00 0.00 H new ATOM 0 HD22 ASN C 85 -2.631 -4.758 1.843 1.00 0.00 H new ATOM 1286 N TYR C 86 -1.718 -0.044 1.716 1.00 0.00 N ATOM 1287 CA TYR C 86 -0.924 1.193 1.769 1.00 0.00 C ATOM 1288 C TYR C 86 -0.792 1.885 0.412 1.00 0.00 C ATOM 1289 O TYR C 86 0.282 1.875 -0.175 1.00 0.00 O ATOM 1290 CB TYR C 86 0.488 0.932 2.305 1.00 0.00 C ATOM 1291 CG TYR C 86 0.632 -0.353 3.086 1.00 0.00 C ATOM 1292 CD1 TYR C 86 0.731 -1.568 2.429 1.00 0.00 C ATOM 1293 CD2 TYR C 86 0.658 -0.355 4.474 1.00 0.00 C ATOM 1294 CE1 TYR C 86 0.847 -2.747 3.118 1.00 0.00 C ATOM 1295 CE2 TYR C 86 0.777 -1.536 5.179 1.00 0.00 C ATOM 1296 CZ TYR C 86 0.873 -2.731 4.497 1.00 0.00 C ATOM 1297 OH TYR C 86 0.994 -3.912 5.193 1.00 0.00 O ATOM 0 H TYR C 86 -1.501 -0.663 0.935 1.00 0.00 H new ATOM 0 HA TYR C 86 -1.474 1.850 2.443 1.00 0.00 H new ATOM 0 HB2 TYR C 86 1.184 0.913 1.466 1.00 0.00 H new ATOM 0 HB3 TYR C 86 0.781 1.766 2.943 1.00 0.00 H new ATOM 0 HD1 TYR C 86 0.716 -1.587 1.349 1.00 0.00 H new ATOM 0 HD2 TYR C 86 0.584 0.580 5.010 1.00 0.00 H new ATOM 0 HE1 TYR C 86 0.918 -3.683 2.584 1.00 0.00 H new ATOM 0 HE2 TYR C 86 0.795 -1.524 6.259 1.00 0.00 H new ATOM 0 HH TYR C 86 0.997 -3.726 6.155 1.00 0.00 H new ATOM 1307 N THR C 87 -1.882 2.488 -0.058 1.00 0.00 N ATOM 1308 CA THR C 87 -1.872 3.437 -1.186 1.00 0.00 C ATOM 1309 C THR C 87 -3.197 4.184 -1.192 1.00 0.00 C ATOM 1310 O THR C 87 -3.241 5.416 -1.164 1.00 0.00 O ATOM 1311 CB THR C 87 -1.708 2.821 -2.612 1.00 0.00 C ATOM 1312 OG1 THR C 87 -2.713 1.847 -2.860 1.00 0.00 O ATOM 1313 CG2 THR C 87 -0.337 2.213 -2.863 1.00 0.00 C ATOM 0 H THR C 87 -2.811 2.334 0.333 1.00 0.00 H new ATOM 0 HA THR C 87 -0.994 4.059 -1.014 1.00 0.00 H new ATOM 0 HB THR C 87 -1.816 3.656 -3.305 1.00 0.00 H new ATOM 0 HG1 THR C 87 -3.070 1.521 -2.008 1.00 0.00 H new ATOM 0 HG21 THR C 87 -0.299 1.806 -3.873 1.00 0.00 H new ATOM 0 HG22 THR C 87 0.428 2.982 -2.753 1.00 0.00 H new ATOM 0 HG23 THR C 87 -0.156 1.415 -2.143 1.00 0.00 H new