USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 77 MET CE :methyl -157:sc= -0.476 (180deg=-1.22) USER MOD Set 1.2: C 78 SER OG : rot 33:sc= 0.195 USER MOD Set 2.1: C 51 SER OG : rot 111:sc= 1.36 USER MOD Set 2.2: C 54 THR OG1 : rot -166:sc= 1.02 USER MOD Single : C 13 TYR OH : rot 180:sc= -0.0233 USER MOD Single : C 14 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0283) USER MOD Single : C 20 TYR OH : rot 15:sc= -0.0611 USER MOD Single : C 22 SER OG : rot -140:sc= 0.064 USER MOD Single : C 27 LYS NZ :NH3+ -160:sc= -0.148 (180deg=-0.594) USER MOD Single : C 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 31 TYR OH : rot 180:sc= 0 USER MOD Single : C 33 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : C 36 SER OG : rot 97:sc= 1.21 USER MOD Single : C 38 ASN : amide:sc= -1.83! C(o=-1.8!,f=-3!) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.4) USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 50 MET CE :methyl -154:sc= 0 (180deg=-0.148) USER MOD Single : C 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 59 LYS NZ :NH3+ 170:sc= -0.0143 (180deg=-0.143) USER MOD Single : C 65 TYR OH : rot 180:sc= 0 USER MOD Single : C 69 SER OG : rot 180:sc= 0 USER MOD Single : C 70 GLN :FLIP amide:sc= -0.557 F(o=-1.2,f=-0.56) USER MOD Single : C 71 TYR OH : rot 180:sc= -0.211 USER MOD Single : C 76 TYR OH : rot 180:sc= 0 USER MOD Single : C 79 LYS NZ :NH3+ 155:sc= 0.778 (180deg=0.665) USER MOD Single : C 80 THR OG1 : rot 180:sc= 0.0014 USER MOD Single : C 85 ASN : amide:sc= 0.817 K(o=0.82,f=0) USER MOD Single : C 86 TYR OH : rot 90:sc=0.000101 USER MOD Single : C 87 THR OG1 : rot -16:sc= -1.08 USER MOD ----------------------------------------------------------------- ATOM 167 N LEU C 12 3.896 5.659 -3.478 1.00 0.00 N ATOM 168 CA LEU C 12 3.664 6.084 -2.106 1.00 0.00 C ATOM 169 C LEU C 12 2.356 5.485 -1.614 1.00 0.00 C ATOM 170 O LEU C 12 1.328 5.617 -2.273 1.00 0.00 O ATOM 171 CB LEU C 12 3.607 7.617 -1.990 1.00 0.00 C ATOM 172 CG LEU C 12 4.946 8.370 -2.070 1.00 0.00 C ATOM 173 CD1 LEU C 12 5.954 7.794 -1.091 1.00 0.00 C ATOM 174 CD2 LEU C 12 5.507 8.359 -3.481 1.00 0.00 C ATOM 0 HA LEU C 12 4.495 5.734 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU C 12 2.958 7.993 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU C 12 3.132 7.868 -1.042 1.00 0.00 H new ATOM 0 HG LEU C 12 4.753 9.407 -1.795 1.00 0.00 H new ATOM 0 HD11 LEU C 12 6.892 8.344 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU C 12 5.565 7.880 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU C 12 6.129 6.744 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU C 12 6.453 8.900 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU C 12 5.671 7.329 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU C 12 4.800 8.840 -4.157 1.00 0.00 H new ATOM 186 N TYR C 13 2.393 4.829 -0.463 1.00 0.00 N ATOM 187 CA TYR C 13 1.204 4.192 0.082 1.00 0.00 C ATOM 188 C TYR C 13 0.495 5.144 1.030 1.00 0.00 C ATOM 189 O TYR C 13 1.142 5.891 1.764 1.00 0.00 O ATOM 190 CB TYR C 13 1.568 2.894 0.802 1.00 0.00 C ATOM 191 CG TYR C 13 2.196 1.851 -0.096 1.00 0.00 C ATOM 192 CD1 TYR C 13 1.480 1.283 -1.143 1.00 0.00 C ATOM 193 CD2 TYR C 13 3.500 1.425 0.114 1.00 0.00 C ATOM 194 CE1 TYR C 13 2.049 0.320 -1.955 1.00 0.00 C ATOM 195 CE2 TYR C 13 4.075 0.464 -0.695 1.00 0.00 C ATOM 196 CZ TYR C 13 3.346 -0.085 -1.726 1.00 0.00 C ATOM 197 OH TYR C 13 3.917 -1.045 -2.530 1.00 0.00 O ATOM 0 H TYR C 13 3.231 4.724 0.109 1.00 0.00 H new ATOM 0 HA TYR C 13 0.532 3.946 -0.740 1.00 0.00 H new ATOM 0 HB2 TYR C 13 2.257 3.122 1.615 1.00 0.00 H new ATOM 0 HB3 TYR C 13 0.669 2.476 1.254 1.00 0.00 H new ATOM 0 HD1 TYR C 13 0.463 1.599 -1.325 1.00 0.00 H new ATOM 0 HD2 TYR C 13 4.075 1.852 0.923 1.00 0.00 H new ATOM 0 HE1 TYR C 13 1.480 -0.113 -2.765 1.00 0.00 H new ATOM 0 HE2 TYR C 13 5.092 0.145 -0.520 1.00 0.00 H new ATOM 0 HH TYR C 13 4.836 -1.215 -2.234 1.00 0.00 H new ATOM 207 N LYS C 14 -0.830 5.115 1.028 1.00 0.00 N ATOM 208 CA LYS C 14 -1.590 6.111 1.742 1.00 0.00 C ATOM 209 C LYS C 14 -2.409 5.482 2.849 1.00 0.00 C ATOM 210 O LYS C 14 -2.982 4.409 2.698 1.00 0.00 O ATOM 211 CB LYS C 14 -2.500 6.870 0.785 1.00 0.00 C ATOM 212 CG LYS C 14 -1.758 7.626 -0.309 1.00 0.00 C ATOM 213 CD LYS C 14 -2.726 8.254 -1.299 1.00 0.00 C ATOM 214 CE LYS C 14 -1.999 8.985 -2.417 1.00 0.00 C ATOM 215 NZ LYS C 14 -1.279 10.192 -1.931 1.00 0.00 N ATOM 0 H LYS C 14 -1.391 4.415 0.542 1.00 0.00 H new ATOM 0 HA LYS C 14 -0.886 6.811 2.193 1.00 0.00 H new ATOM 0 HB2 LYS C 14 -3.190 6.165 0.321 1.00 0.00 H new ATOM 0 HB3 LYS C 14 -3.102 7.577 1.356 1.00 0.00 H new ATOM 0 HG2 LYS C 14 -1.138 8.402 0.139 1.00 0.00 H new ATOM 0 HG3 LYS C 14 -1.088 6.946 -0.834 1.00 0.00 H new ATOM 0 HD2 LYS C 14 -3.362 7.479 -1.726 1.00 0.00 H new ATOM 0 HD3 LYS C 14 -3.380 8.951 -0.775 1.00 0.00 H new ATOM 0 HE2 LYS C 14 -1.288 8.307 -2.889 1.00 0.00 H new ATOM 0 HE3 LYS C 14 -2.717 9.278 -3.183 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 -0.885 10.711 -2.742 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 -1.940 10.806 -1.415 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 -0.507 9.904 -1.296 1.00 0.00 H new ATOM 229 N ASP C 15 -2.433 6.180 3.957 1.00 0.00 N ATOM 230 CA ASP C 15 -3.151 5.778 5.158 1.00 0.00 C ATOM 231 C ASP C 15 -4.577 5.313 4.904 1.00 0.00 C ATOM 232 O ASP C 15 -5.334 5.905 4.132 1.00 0.00 O ATOM 233 CB ASP C 15 -3.188 6.950 6.145 1.00 0.00 C ATOM 234 CG ASP C 15 -3.926 8.162 5.610 1.00 0.00 C ATOM 235 OD1 ASP C 15 -5.124 8.328 5.931 1.00 0.00 O ATOM 236 OD2 ASP C 15 -3.309 8.961 4.877 1.00 0.00 O ATOM 0 H ASP C 15 -1.943 7.069 4.059 1.00 0.00 H new ATOM 0 HA ASP C 15 -2.607 4.924 5.562 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -3.664 6.623 7.069 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -2.167 7.237 6.396 1.00 0.00 H new ATOM 241 N ALA C 16 -4.905 4.222 5.570 1.00 0.00 N ATOM 242 CA ALA C 16 -6.273 3.748 5.689 1.00 0.00 C ATOM 243 C ALA C 16 -6.777 4.008 7.110 1.00 0.00 C ATOM 244 O ALA C 16 -7.789 4.676 7.305 1.00 0.00 O ATOM 245 CB ALA C 16 -6.353 2.253 5.350 1.00 0.00 C ATOM 0 H ALA C 16 -4.223 3.633 6.049 1.00 0.00 H new ATOM 0 HA ALA C 16 -6.905 4.287 4.983 1.00 0.00 H new ATOM 0 HB1 ALA C 16 -7.384 1.913 5.444 1.00 0.00 H new ATOM 0 HB2 ALA C 16 -6.010 2.093 4.328 1.00 0.00 H new ATOM 0 HB3 ALA C 16 -5.722 1.690 6.037 1.00 0.00 H new ATOM 251 N ASP C 17 -6.048 3.492 8.106 1.00 0.00 N ATOM 252 CA ASP C 17 -6.387 3.717 9.506 1.00 0.00 C ATOM 253 C ASP C 17 -5.637 4.932 10.032 1.00 0.00 C ATOM 254 O ASP C 17 -5.868 5.380 11.155 1.00 0.00 O ATOM 255 CB ASP C 17 -6.045 2.491 10.364 1.00 0.00 C ATOM 256 CG ASP C 17 -4.551 2.308 10.578 1.00 0.00 C ATOM 257 OD1 ASP C 17 -4.049 2.677 11.659 1.00 0.00 O ATOM 258 OD2 ASP C 17 -3.872 1.786 9.670 1.00 0.00 O ATOM 0 H ASP C 17 -5.219 2.915 7.963 1.00 0.00 H new ATOM 0 HA ASP C 17 -7.461 3.892 9.569 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -6.535 2.585 11.333 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -6.449 1.598 9.888 1.00 0.00 H new ATOM 263 N GLY C 18 -4.734 5.460 9.213 1.00 0.00 N ATOM 264 CA GLY C 18 -4.006 6.648 9.601 1.00 0.00 C ATOM 265 C GLY C 18 -2.497 6.492 9.529 1.00 0.00 C ATOM 266 O GLY C 18 -1.767 7.173 10.249 1.00 0.00 O ATOM 0 H GLY C 18 -4.496 5.088 8.294 1.00 0.00 H new ATOM 0 HA2 GLY C 18 -4.308 7.474 8.957 1.00 0.00 H new ATOM 0 HA3 GLY C 18 -4.286 6.918 10.619 1.00 0.00 H new ATOM 270 N VAL C 19 -2.020 5.603 8.662 1.00 0.00 N ATOM 271 CA VAL C 19 -0.583 5.411 8.482 1.00 0.00 C ATOM 272 C VAL C 19 -0.139 5.787 7.069 1.00 0.00 C ATOM 273 O VAL C 19 -0.604 5.219 6.080 1.00 0.00 O ATOM 274 CB VAL C 19 -0.159 3.951 8.750 1.00 0.00 C ATOM 275 CG1 VAL C 19 1.348 3.795 8.605 1.00 0.00 C ATOM 276 CG2 VAL C 19 -0.615 3.498 10.126 1.00 0.00 C ATOM 0 H VAL C 19 -2.604 5.007 8.075 1.00 0.00 H new ATOM 0 HA VAL C 19 -0.100 6.067 9.207 1.00 0.00 H new ATOM 0 HB VAL C 19 -0.643 3.316 8.008 1.00 0.00 H new ATOM 0 HG11 VAL C 19 1.627 2.759 8.798 1.00 0.00 H new ATOM 0 HG12 VAL C 19 1.646 4.069 7.593 1.00 0.00 H new ATOM 0 HG13 VAL C 19 1.852 4.445 9.320 1.00 0.00 H new ATOM 0 HG21 VAL C 19 -0.304 2.466 10.291 1.00 0.00 H new ATOM 0 HG22 VAL C 19 -0.167 4.138 10.887 1.00 0.00 H new ATOM 0 HG23 VAL C 19 -1.701 3.564 10.189 1.00 0.00 H new ATOM 286 N TYR C 20 0.753 6.753 6.968 1.00 0.00 N ATOM 287 CA TYR C 20 1.381 7.043 5.700 1.00 0.00 C ATOM 288 C TYR C 20 2.730 6.359 5.662 1.00 0.00 C ATOM 289 O TYR C 20 3.476 6.351 6.646 1.00 0.00 O ATOM 290 CB TYR C 20 1.538 8.540 5.475 1.00 0.00 C ATOM 291 CG TYR C 20 2.102 8.902 4.119 1.00 0.00 C ATOM 292 CD1 TYR C 20 3.413 9.336 3.984 1.00 0.00 C ATOM 293 CD2 TYR C 20 1.320 8.806 2.976 1.00 0.00 C ATOM 294 CE1 TYR C 20 3.929 9.665 2.746 1.00 0.00 C ATOM 295 CE2 TYR C 20 1.829 9.133 1.735 1.00 0.00 C ATOM 296 CZ TYR C 20 3.133 9.563 1.625 1.00 0.00 C ATOM 297 OH TYR C 20 3.642 9.889 0.392 1.00 0.00 O ATOM 0 H TYR C 20 1.055 7.344 7.743 1.00 0.00 H new ATOM 0 HA TYR C 20 0.745 6.667 4.899 1.00 0.00 H new ATOM 0 HB2 TYR C 20 0.566 9.019 5.592 1.00 0.00 H new ATOM 0 HB3 TYR C 20 2.189 8.947 6.249 1.00 0.00 H new ATOM 0 HD1 TYR C 20 4.039 9.418 4.860 1.00 0.00 H new ATOM 0 HD2 TYR C 20 0.297 8.470 3.059 1.00 0.00 H new ATOM 0 HE1 TYR C 20 4.952 10.001 2.656 1.00 0.00 H new ATOM 0 HE2 TYR C 20 1.208 9.052 0.855 1.00 0.00 H new ATOM 0 HH TYR C 20 4.619 9.940 0.444 1.00 0.00 H new ATOM 307 N VAL C 21 3.025 5.800 4.524 1.00 0.00 N ATOM 308 CA VAL C 21 4.200 4.955 4.350 1.00 0.00 C ATOM 309 C VAL C 21 4.744 5.077 2.933 1.00 0.00 C ATOM 310 O VAL C 21 4.025 4.894 1.951 1.00 0.00 O ATOM 311 CB VAL C 21 3.887 3.468 4.711 1.00 0.00 C ATOM 312 CG1 VAL C 21 2.416 3.149 4.502 1.00 0.00 C ATOM 313 CG2 VAL C 21 4.745 2.488 3.917 1.00 0.00 C ATOM 0 H VAL C 21 2.463 5.910 3.680 1.00 0.00 H new ATOM 0 HA VAL C 21 4.971 5.302 5.038 1.00 0.00 H new ATOM 0 HB VAL C 21 4.131 3.350 5.767 1.00 0.00 H new ATOM 0 HG11 VAL C 21 2.229 2.107 4.762 1.00 0.00 H new ATOM 0 HG12 VAL C 21 1.810 3.795 5.137 1.00 0.00 H new ATOM 0 HG13 VAL C 21 2.152 3.316 3.458 1.00 0.00 H new ATOM 0 HG21 VAL C 21 4.491 1.467 4.203 1.00 0.00 H new ATOM 0 HG22 VAL C 21 4.560 2.623 2.851 1.00 0.00 H new ATOM 0 HG23 VAL C 21 5.798 2.672 4.129 1.00 0.00 H new ATOM 323 N SER C 22 6.016 5.421 2.845 1.00 0.00 N ATOM 324 CA SER C 22 6.681 5.570 1.569 1.00 0.00 C ATOM 325 C SER C 22 7.150 4.213 1.062 1.00 0.00 C ATOM 326 O SER C 22 7.487 3.331 1.855 1.00 0.00 O ATOM 327 CB SER C 22 7.856 6.544 1.709 1.00 0.00 C ATOM 328 OG SER C 22 8.533 6.359 2.944 1.00 0.00 O ATOM 0 H SER C 22 6.612 5.603 3.652 1.00 0.00 H new ATOM 0 HA SER C 22 5.981 5.978 0.840 1.00 0.00 H new ATOM 0 HB2 SER C 22 8.553 6.398 0.884 1.00 0.00 H new ATOM 0 HB3 SER C 22 7.492 7.569 1.641 1.00 0.00 H new ATOM 0 HG SER C 22 8.782 7.231 3.314 1.00 0.00 H new ATOM 334 N ALA C 23 7.160 4.037 -0.250 1.00 0.00 N ATOM 335 CA ALA C 23 7.584 2.788 -0.834 1.00 0.00 C ATOM 336 C ALA C 23 8.952 2.954 -1.450 1.00 0.00 C ATOM 337 O ALA C 23 9.195 3.881 -2.223 1.00 0.00 O ATOM 338 CB ALA C 23 6.589 2.297 -1.870 1.00 0.00 C ATOM 0 H ALA C 23 6.878 4.748 -0.925 1.00 0.00 H new ATOM 0 HA ALA C 23 7.634 2.037 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA C 23 6.938 1.354 -2.291 1.00 0.00 H new ATOM 0 HB2 ALA C 23 5.618 2.147 -1.399 1.00 0.00 H new ATOM 0 HB3 ALA C 23 6.496 3.037 -2.665 1.00 0.00 H new ATOM 344 N LEU C 24 9.835 2.066 -1.073 1.00 0.00 N ATOM 345 CA LEU C 24 11.210 2.088 -1.540 1.00 0.00 C ATOM 346 C LEU C 24 11.369 1.088 -2.687 1.00 0.00 C ATOM 347 O LEU C 24 11.505 -0.115 -2.459 1.00 0.00 O ATOM 348 CB LEU C 24 12.178 1.755 -0.390 1.00 0.00 C ATOM 349 CG LEU C 24 12.221 2.746 0.788 1.00 0.00 C ATOM 350 CD1 LEU C 24 10.940 2.700 1.608 1.00 0.00 C ATOM 351 CD2 LEU C 24 13.417 2.448 1.682 1.00 0.00 C ATOM 0 H LEU C 24 9.627 1.301 -0.431 1.00 0.00 H new ATOM 0 HA LEU C 24 11.452 3.088 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU C 24 11.915 0.772 0.002 1.00 0.00 H new ATOM 0 HB3 LEU C 24 13.183 1.675 -0.804 1.00 0.00 H new ATOM 0 HG LEU C 24 12.318 3.749 0.372 1.00 0.00 H new ATOM 0 HD11 LEU C 24 11.008 3.413 2.430 1.00 0.00 H new ATOM 0 HD12 LEU C 24 10.092 2.958 0.973 1.00 0.00 H new ATOM 0 HD13 LEU C 24 10.801 1.696 2.009 1.00 0.00 H new ATOM 0 HD21 LEU C 24 13.437 3.155 2.511 1.00 0.00 H new ATOM 0 HD22 LEU C 24 13.336 1.433 2.072 1.00 0.00 H new ATOM 0 HD23 LEU C 24 14.336 2.542 1.103 1.00 0.00 H new ATOM 363 N PRO C 25 11.331 1.573 -3.940 1.00 0.00 N ATOM 364 CA PRO C 25 11.350 0.717 -5.134 1.00 0.00 C ATOM 365 C PRO C 25 12.649 -0.063 -5.290 1.00 0.00 C ATOM 366 O PRO C 25 13.714 0.523 -5.499 1.00 0.00 O ATOM 367 CB PRO C 25 11.192 1.704 -6.299 1.00 0.00 C ATOM 368 CG PRO C 25 10.698 2.966 -5.683 1.00 0.00 C ATOM 369 CD PRO C 25 11.267 2.996 -4.296 1.00 0.00 C ATOM 0 HA PRO C 25 10.568 -0.040 -5.082 1.00 0.00 H new ATOM 0 HB2 PRO C 25 12.141 1.862 -6.812 1.00 0.00 H new ATOM 0 HB3 PRO C 25 10.488 1.327 -7.041 1.00 0.00 H new ATOM 0 HG2 PRO C 25 11.022 3.834 -6.257 1.00 0.00 H new ATOM 0 HG3 PRO C 25 9.609 2.989 -5.659 1.00 0.00 H new ATOM 0 HD2 PRO C 25 12.251 3.463 -4.273 1.00 0.00 H new ATOM 0 HD3 PRO C 25 10.632 3.556 -3.610 1.00 0.00 H new ATOM 377 N ILE C 26 12.553 -1.383 -5.193 1.00 0.00 N ATOM 378 CA ILE C 26 13.702 -2.244 -5.410 1.00 0.00 C ATOM 379 C ILE C 26 13.853 -2.509 -6.900 1.00 0.00 C ATOM 380 O ILE C 26 13.153 -3.355 -7.461 1.00 0.00 O ATOM 381 CB ILE C 26 13.565 -3.604 -4.688 1.00 0.00 C ATOM 382 CG1 ILE C 26 13.019 -3.432 -3.262 1.00 0.00 C ATOM 383 CG2 ILE C 26 14.916 -4.307 -4.664 1.00 0.00 C ATOM 384 CD1 ILE C 26 12.813 -4.745 -2.523 1.00 0.00 C ATOM 0 H ILE C 26 11.691 -1.878 -4.965 1.00 0.00 H new ATOM 0 HA ILE C 26 14.573 -1.729 -5.005 1.00 0.00 H new ATOM 0 HB ILE C 26 12.850 -4.215 -5.238 1.00 0.00 H new ATOM 0 HG12 ILE C 26 13.708 -2.809 -2.692 1.00 0.00 H new ATOM 0 HG13 ILE C 26 12.070 -2.898 -3.308 1.00 0.00 H new ATOM 0 HG21 ILE C 26 14.818 -5.266 -4.155 1.00 0.00 H new ATOM 0 HG22 ILE C 26 15.258 -4.472 -5.686 1.00 0.00 H new ATOM 0 HG23 ILE C 26 15.639 -3.687 -4.135 1.00 0.00 H new ATOM 0 HD11 ILE C 26 12.426 -4.543 -1.524 1.00 0.00 H new ATOM 0 HD12 ILE C 26 12.101 -5.363 -3.070 1.00 0.00 H new ATOM 0 HD13 ILE C 26 13.764 -5.271 -2.444 1.00 0.00 H new ATOM 396 N LYS C 27 14.751 -1.771 -7.534 1.00 0.00 N ATOM 397 CA LYS C 27 15.006 -1.922 -8.959 1.00 0.00 C ATOM 398 C LYS C 27 15.547 -3.315 -9.229 1.00 0.00 C ATOM 399 O LYS C 27 14.887 -4.154 -9.839 1.00 0.00 O ATOM 400 CB LYS C 27 16.026 -0.871 -9.425 1.00 0.00 C ATOM 401 CG LYS C 27 16.060 -0.643 -10.932 1.00 0.00 C ATOM 402 CD LYS C 27 16.586 -1.840 -11.705 1.00 0.00 C ATOM 403 CE LYS C 27 16.453 -1.627 -13.203 1.00 0.00 C ATOM 404 NZ LYS C 27 15.041 -1.394 -13.611 1.00 0.00 N ATOM 0 H LYS C 27 15.320 -1.056 -7.080 1.00 0.00 H new ATOM 0 HA LYS C 27 14.075 -1.779 -9.508 1.00 0.00 H new ATOM 0 HB2 LYS C 27 15.803 0.076 -8.933 1.00 0.00 H new ATOM 0 HB3 LYS C 27 17.019 -1.176 -9.095 1.00 0.00 H new ATOM 0 HG2 LYS C 27 15.055 -0.407 -11.280 1.00 0.00 H new ATOM 0 HG3 LYS C 27 16.684 0.224 -11.148 1.00 0.00 H new ATOM 0 HD2 LYS C 27 17.632 -2.010 -11.450 1.00 0.00 H new ATOM 0 HD3 LYS C 27 16.037 -2.735 -11.412 1.00 0.00 H new ATOM 0 HE2 LYS C 27 17.062 -0.774 -13.503 1.00 0.00 H new ATOM 0 HE3 LYS C 27 16.843 -2.498 -13.729 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 14.937 -1.589 -14.627 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 14.415 -2.025 -13.071 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 14.783 -0.405 -13.420 1.00 0.00 H new ATOM 418 N ALA C 28 16.764 -3.536 -8.774 1.00 0.00 N ATOM 419 CA ALA C 28 17.431 -4.811 -8.947 1.00 0.00 C ATOM 420 C ALA C 28 18.403 -5.059 -7.805 1.00 0.00 C ATOM 421 O ALA C 28 18.775 -4.134 -7.083 1.00 0.00 O ATOM 422 CB ALA C 28 18.163 -4.846 -10.279 1.00 0.00 C ATOM 0 H ALA C 28 17.317 -2.839 -8.275 1.00 0.00 H new ATOM 0 HA ALA C 28 16.679 -5.600 -8.941 1.00 0.00 H new ATOM 0 HB1 ALA C 28 18.660 -5.809 -10.396 1.00 0.00 H new ATOM 0 HB2 ALA C 28 17.449 -4.705 -11.090 1.00 0.00 H new ATOM 0 HB3 ALA C 28 18.906 -4.049 -10.307 1.00 0.00 H new ATOM 428 N ILE C 29 18.796 -6.308 -7.639 1.00 0.00 N ATOM 429 CA ILE C 29 19.771 -6.680 -6.633 1.00 0.00 C ATOM 430 C ILE C 29 20.846 -7.546 -7.252 1.00 0.00 C ATOM 431 O ILE C 29 20.560 -8.500 -7.974 1.00 0.00 O ATOM 432 CB ILE C 29 19.122 -7.437 -5.445 1.00 0.00 C ATOM 433 CG1 ILE C 29 18.207 -6.513 -4.643 1.00 0.00 C ATOM 434 CG2 ILE C 29 20.189 -8.029 -4.531 1.00 0.00 C ATOM 435 CD1 ILE C 29 17.233 -7.258 -3.753 1.00 0.00 C ATOM 0 H ILE C 29 18.450 -7.090 -8.195 1.00 0.00 H new ATOM 0 HA ILE C 29 20.207 -5.759 -6.247 1.00 0.00 H new ATOM 0 HB ILE C 29 18.523 -8.249 -5.858 1.00 0.00 H new ATOM 0 HG12 ILE C 29 18.818 -5.853 -4.028 1.00 0.00 H new ATOM 0 HG13 ILE C 29 17.648 -5.880 -5.332 1.00 0.00 H new ATOM 0 HG21 ILE C 29 19.710 -8.555 -3.705 1.00 0.00 H new ATOM 0 HG22 ILE C 29 20.806 -8.727 -5.097 1.00 0.00 H new ATOM 0 HG23 ILE C 29 20.815 -7.229 -4.137 1.00 0.00 H new ATOM 0 HD11 ILE C 29 16.614 -6.542 -3.212 1.00 0.00 H new ATOM 0 HD12 ILE C 29 16.597 -7.898 -4.365 1.00 0.00 H new ATOM 0 HD13 ILE C 29 17.786 -7.870 -3.041 1.00 0.00 H new ATOM 447 N LYS C 30 22.079 -7.196 -6.965 1.00 0.00 N ATOM 448 CA LYS C 30 23.220 -7.924 -7.487 1.00 0.00 C ATOM 449 C LYS C 30 23.837 -8.759 -6.378 1.00 0.00 C ATOM 450 O LYS C 30 24.564 -8.247 -5.525 1.00 0.00 O ATOM 451 CB LYS C 30 24.267 -6.972 -8.078 1.00 0.00 C ATOM 452 CG LYS C 30 23.792 -6.130 -9.260 1.00 0.00 C ATOM 453 CD LYS C 30 23.509 -6.967 -10.503 1.00 0.00 C ATOM 454 CE LYS C 30 22.051 -7.393 -10.589 1.00 0.00 C ATOM 455 NZ LYS C 30 21.758 -8.131 -11.844 1.00 0.00 N ATOM 0 H LYS C 30 22.322 -6.405 -6.368 1.00 0.00 H new ATOM 0 HA LYS C 30 22.876 -8.577 -8.289 1.00 0.00 H new ATOM 0 HB2 LYS C 30 24.610 -6.301 -7.290 1.00 0.00 H new ATOM 0 HB3 LYS C 30 25.129 -7.559 -8.395 1.00 0.00 H new ATOM 0 HG2 LYS C 30 22.888 -5.591 -8.977 1.00 0.00 H new ATOM 0 HG3 LYS C 30 24.549 -5.382 -9.495 1.00 0.00 H new ATOM 0 HD2 LYS C 30 23.771 -6.394 -11.392 1.00 0.00 H new ATOM 0 HD3 LYS C 30 24.145 -7.852 -10.495 1.00 0.00 H new ATOM 0 HE2 LYS C 30 21.807 -8.022 -9.733 1.00 0.00 H new ATOM 0 HE3 LYS C 30 21.412 -6.512 -10.529 1.00 0.00 H new ATOM 0 HZ1 LYS C 30 20.754 -8.402 -11.861 1.00 0.00 H new ATOM 0 HZ2 LYS C 30 21.966 -7.522 -12.661 1.00 0.00 H new ATOM 0 HZ3 LYS C 30 22.348 -8.986 -11.890 1.00 0.00 H new ATOM 469 N TYR C 31 23.514 -10.038 -6.383 1.00 0.00 N ATOM 470 CA TYR C 31 23.996 -10.960 -5.376 1.00 0.00 C ATOM 471 C TYR C 31 25.462 -11.274 -5.613 1.00 0.00 C ATOM 472 O TYR C 31 25.828 -11.897 -6.611 1.00 0.00 O ATOM 473 CB TYR C 31 23.164 -12.243 -5.393 1.00 0.00 C ATOM 474 CG TYR C 31 21.689 -12.011 -5.150 1.00 0.00 C ATOM 475 CD1 TYR C 31 21.172 -12.003 -3.861 1.00 0.00 C ATOM 476 CD2 TYR C 31 20.815 -11.798 -6.209 1.00 0.00 C ATOM 477 CE1 TYR C 31 19.826 -11.792 -3.634 1.00 0.00 C ATOM 478 CE2 TYR C 31 19.468 -11.584 -5.989 1.00 0.00 C ATOM 479 CZ TYR C 31 18.980 -11.583 -4.701 1.00 0.00 C ATOM 480 OH TYR C 31 17.637 -11.373 -4.483 1.00 0.00 O ATOM 0 H TYR C 31 22.910 -10.466 -7.085 1.00 0.00 H new ATOM 0 HA TYR C 31 23.895 -10.495 -4.395 1.00 0.00 H new ATOM 0 HB2 TYR C 31 23.292 -12.736 -6.357 1.00 0.00 H new ATOM 0 HB3 TYR C 31 23.546 -12.924 -4.633 1.00 0.00 H new ATOM 0 HD1 TYR C 31 21.833 -12.164 -3.022 1.00 0.00 H new ATOM 0 HD2 TYR C 31 21.195 -11.800 -7.220 1.00 0.00 H new ATOM 0 HE1 TYR C 31 19.439 -11.791 -2.626 1.00 0.00 H new ATOM 0 HE2 TYR C 31 18.801 -11.418 -6.822 1.00 0.00 H new ATOM 0 HH TYR C 31 17.183 -11.242 -5.341 1.00 0.00 H new ATOM 490 N ALA C 32 26.292 -10.815 -4.698 1.00 0.00 N ATOM 491 CA ALA C 32 27.712 -11.022 -4.768 1.00 0.00 C ATOM 492 C ALA C 32 28.051 -12.412 -4.269 1.00 0.00 C ATOM 493 O ALA C 32 27.333 -13.000 -3.457 1.00 0.00 O ATOM 494 CB ALA C 32 28.436 -9.961 -3.955 1.00 0.00 C ATOM 0 H ALA C 32 25.991 -10.284 -3.881 1.00 0.00 H new ATOM 0 HA ALA C 32 28.039 -10.937 -5.804 1.00 0.00 H new ATOM 0 HB1 ALA C 32 29.512 -10.128 -4.015 1.00 0.00 H new ATOM 0 HB2 ALA C 32 28.199 -8.974 -4.352 1.00 0.00 H new ATOM 0 HB3 ALA C 32 28.117 -10.020 -2.914 1.00 0.00 H new ATOM 500 N ASN C 33 29.153 -12.916 -4.769 1.00 0.00 N ATOM 501 CA ASN C 33 29.560 -14.304 -4.544 1.00 0.00 C ATOM 502 C ASN C 33 29.993 -14.547 -3.102 1.00 0.00 C ATOM 503 O ASN C 33 30.094 -15.692 -2.668 1.00 0.00 O ATOM 504 CB ASN C 33 30.695 -14.704 -5.500 1.00 0.00 C ATOM 505 CG ASN C 33 32.045 -14.128 -5.105 1.00 0.00 C ATOM 506 OD1 ASN C 33 32.774 -14.716 -4.304 1.00 0.00 O ATOM 507 ND2 ASN C 33 32.401 -12.994 -5.681 1.00 0.00 N ATOM 0 H ASN C 33 29.803 -12.383 -5.347 1.00 0.00 H new ATOM 0 HA ASN C 33 28.686 -14.924 -4.743 1.00 0.00 H new ATOM 0 HB2 ASN C 33 30.767 -15.791 -5.532 1.00 0.00 H new ATOM 0 HB3 ASN C 33 30.446 -14.371 -6.508 1.00 0.00 H new ATOM 0 HD21 ASN C 33 33.307 -12.576 -5.468 1.00 0.00 H new ATOM 0 HD22 ASN C 33 31.770 -12.536 -6.339 1.00 0.00 H new ATOM 514 N ASP C 34 30.253 -13.475 -2.362 1.00 0.00 N ATOM 515 CA ASP C 34 30.665 -13.601 -0.967 1.00 0.00 C ATOM 516 C ASP C 34 29.449 -13.740 -0.057 1.00 0.00 C ATOM 517 O ASP C 34 29.551 -14.250 1.059 1.00 0.00 O ATOM 518 CB ASP C 34 31.501 -12.392 -0.530 1.00 0.00 C ATOM 519 CG ASP C 34 30.676 -11.128 -0.383 1.00 0.00 C ATOM 520 OD1 ASP C 34 30.119 -10.900 0.711 1.00 0.00 O ATOM 521 OD2 ASP C 34 30.581 -10.361 -1.362 1.00 0.00 O ATOM 0 H ASP C 34 30.187 -12.515 -2.701 1.00 0.00 H new ATOM 0 HA ASP C 34 31.277 -14.499 -0.882 1.00 0.00 H new ATOM 0 HB2 ASP C 34 31.986 -12.616 0.420 1.00 0.00 H new ATOM 0 HB3 ASP C 34 32.293 -12.221 -1.260 1.00 0.00 H new ATOM 526 N GLY C 35 28.299 -13.294 -0.542 1.00 0.00 N ATOM 527 CA GLY C 35 27.092 -13.338 0.258 1.00 0.00 C ATOM 528 C GLY C 35 26.428 -11.981 0.363 1.00 0.00 C ATOM 529 O GLY C 35 25.220 -11.888 0.591 1.00 0.00 O ATOM 0 H GLY C 35 28.180 -12.902 -1.476 1.00 0.00 H new ATOM 0 HA2 GLY C 35 26.393 -14.050 -0.180 1.00 0.00 H new ATOM 0 HA3 GLY C 35 27.333 -13.701 1.257 1.00 0.00 H new ATOM 533 N SER C 36 27.223 -10.927 0.228 1.00 0.00 N ATOM 534 CA SER C 36 26.699 -9.571 0.221 1.00 0.00 C ATOM 535 C SER C 36 25.913 -9.319 -1.064 1.00 0.00 C ATOM 536 O SER C 36 26.003 -10.092 -2.019 1.00 0.00 O ATOM 537 CB SER C 36 27.845 -8.567 0.349 1.00 0.00 C ATOM 538 OG SER C 36 28.680 -8.889 1.451 1.00 0.00 O ATOM 0 H SER C 36 28.236 -10.988 0.122 1.00 0.00 H new ATOM 0 HA SER C 36 26.027 -9.446 1.070 1.00 0.00 H new ATOM 0 HB2 SER C 36 28.433 -8.562 -0.569 1.00 0.00 H new ATOM 0 HB3 SER C 36 27.441 -7.562 0.475 1.00 0.00 H new ATOM 0 HG SER C 36 29.455 -9.400 1.136 1.00 0.00 H new ATOM 544 N ALA C 37 25.140 -8.249 -1.092 1.00 0.00 N ATOM 545 CA ALA C 37 24.348 -7.929 -2.268 1.00 0.00 C ATOM 546 C ALA C 37 24.346 -6.433 -2.531 1.00 0.00 C ATOM 547 O ALA C 37 23.964 -5.645 -1.665 1.00 0.00 O ATOM 548 CB ALA C 37 22.925 -8.444 -2.105 1.00 0.00 C ATOM 0 H ALA C 37 25.043 -7.590 -0.320 1.00 0.00 H new ATOM 0 HA ALA C 37 24.801 -8.422 -3.128 1.00 0.00 H new ATOM 0 HB1 ALA C 37 22.344 -8.197 -2.994 1.00 0.00 H new ATOM 0 HB2 ALA C 37 22.943 -9.526 -1.973 1.00 0.00 H new ATOM 0 HB3 ALA C 37 22.468 -7.979 -1.232 1.00 0.00 H new ATOM 554 N ASN C 38 24.792 -6.048 -3.720 1.00 0.00 N ATOM 555 CA ASN C 38 24.778 -4.652 -4.126 1.00 0.00 C ATOM 556 C ASN C 38 23.403 -4.312 -4.674 1.00 0.00 C ATOM 557 O ASN C 38 22.974 -4.858 -5.692 1.00 0.00 O ATOM 558 CB ASN C 38 25.874 -4.376 -5.163 1.00 0.00 C ATOM 559 CG ASN C 38 25.836 -2.962 -5.709 1.00 0.00 C ATOM 560 OD1 ASN C 38 26.499 -2.065 -5.190 1.00 0.00 O ATOM 561 ND2 ASN C 38 25.065 -2.759 -6.762 1.00 0.00 N ATOM 0 H ASN C 38 25.169 -6.686 -4.421 1.00 0.00 H new ATOM 0 HA ASN C 38 24.984 -4.019 -3.263 1.00 0.00 H new ATOM 0 HB2 ASN C 38 26.848 -4.558 -4.710 1.00 0.00 H new ATOM 0 HB3 ASN C 38 25.770 -5.080 -5.988 1.00 0.00 H new ATOM 0 HD21 ASN C 38 25.003 -1.829 -7.177 1.00 0.00 H new ATOM 0 HD22 ASN C 38 24.532 -3.532 -7.160 1.00 0.00 H new ATOM 568 N ALA C 39 22.707 -3.431 -3.981 1.00 0.00 N ATOM 569 CA ALA C 39 21.325 -3.139 -4.309 1.00 0.00 C ATOM 570 C ALA C 39 21.188 -1.934 -5.220 1.00 0.00 C ATOM 571 O ALA C 39 22.066 -1.075 -5.276 1.00 0.00 O ATOM 572 CB ALA C 39 20.503 -2.954 -3.046 1.00 0.00 C ATOM 0 H ALA C 39 23.076 -2.906 -3.188 1.00 0.00 H new ATOM 0 HA ALA C 39 20.939 -3.998 -4.858 1.00 0.00 H new ATOM 0 HB1 ALA C 39 19.469 -2.736 -3.313 1.00 0.00 H new ATOM 0 HB2 ALA C 39 20.539 -3.867 -2.451 1.00 0.00 H new ATOM 0 HB3 ALA C 39 20.910 -2.126 -2.465 1.00 0.00 H new ATOM 578 N GLU C 40 20.084 -1.900 -5.947 1.00 0.00 N ATOM 579 CA GLU C 40 19.776 -0.804 -6.843 1.00 0.00 C ATOM 580 C GLU C 40 18.345 -0.322 -6.572 1.00 0.00 C ATOM 581 O GLU C 40 17.399 -1.100 -6.698 1.00 0.00 O ATOM 582 CB GLU C 40 19.922 -1.275 -8.295 1.00 0.00 C ATOM 583 CG GLU C 40 19.789 -0.168 -9.325 1.00 0.00 C ATOM 584 CD GLU C 40 20.860 0.886 -9.178 1.00 0.00 C ATOM 585 OE1 GLU C 40 20.539 1.997 -8.715 1.00 0.00 O ATOM 586 OE2 GLU C 40 22.027 0.606 -9.523 1.00 0.00 O ATOM 0 H GLU C 40 19.376 -2.634 -5.931 1.00 0.00 H new ATOM 0 HA GLU C 40 20.466 0.023 -6.675 1.00 0.00 H new ATOM 0 HB2 GLU C 40 20.895 -1.752 -8.414 1.00 0.00 H new ATOM 0 HB3 GLU C 40 19.167 -2.035 -8.496 1.00 0.00 H new ATOM 0 HG2 GLU C 40 19.841 -0.598 -10.325 1.00 0.00 H new ATOM 0 HG3 GLU C 40 18.808 0.298 -9.229 1.00 0.00 H new ATOM 593 N PHE C 41 18.185 0.939 -6.178 1.00 0.00 N ATOM 594 CA PHE C 41 16.876 1.464 -5.801 1.00 0.00 C ATOM 595 C PHE C 41 16.530 2.732 -6.587 1.00 0.00 C ATOM 596 O PHE C 41 17.321 3.181 -7.416 1.00 0.00 O ATOM 597 CB PHE C 41 16.849 1.748 -4.295 1.00 0.00 C ATOM 598 CG PHE C 41 16.486 0.559 -3.452 1.00 0.00 C ATOM 599 CD1 PHE C 41 17.361 -0.504 -3.304 1.00 0.00 C ATOM 600 CD2 PHE C 41 15.266 0.511 -2.802 1.00 0.00 C ATOM 601 CE1 PHE C 41 17.024 -1.592 -2.525 1.00 0.00 C ATOM 602 CE2 PHE C 41 14.923 -0.574 -2.023 1.00 0.00 C ATOM 603 CZ PHE C 41 15.804 -1.627 -1.884 1.00 0.00 C ATOM 0 H PHE C 41 18.945 1.616 -6.112 1.00 0.00 H new ATOM 0 HA PHE C 41 16.125 0.712 -6.044 1.00 0.00 H new ATOM 0 HB2 PHE C 41 17.829 2.112 -3.987 1.00 0.00 H new ATOM 0 HB3 PHE C 41 16.136 2.549 -4.100 1.00 0.00 H new ATOM 0 HD1 PHE C 41 18.318 -0.481 -3.804 1.00 0.00 H new ATOM 0 HD2 PHE C 41 14.574 1.333 -2.906 1.00 0.00 H new ATOM 0 HE1 PHE C 41 17.715 -2.415 -2.418 1.00 0.00 H new ATOM 0 HE2 PHE C 41 13.966 -0.600 -1.522 1.00 0.00 H new ATOM 0 HZ PHE C 41 15.538 -2.477 -1.274 1.00 0.00 H new ATOM 613 N ASP C 42 15.335 3.280 -6.312 1.00 0.00 N ATOM 614 CA ASP C 42 14.824 4.512 -6.946 1.00 0.00 C ATOM 615 C ASP C 42 15.905 5.548 -7.211 1.00 0.00 C ATOM 616 O ASP C 42 16.070 6.013 -8.338 1.00 0.00 O ATOM 617 CB ASP C 42 13.739 5.134 -6.068 1.00 0.00 C ATOM 618 CG ASP C 42 13.126 6.376 -6.685 1.00 0.00 C ATOM 619 OD1 ASP C 42 13.624 7.490 -6.419 1.00 0.00 O ATOM 620 OD2 ASP C 42 12.137 6.244 -7.433 1.00 0.00 O ATOM 0 H ASP C 42 14.687 2.877 -5.635 1.00 0.00 H new ATOM 0 HA ASP C 42 14.419 4.216 -7.914 1.00 0.00 H new ATOM 0 HB2 ASP C 42 12.955 4.398 -5.890 1.00 0.00 H new ATOM 0 HB3 ASP C 42 14.165 5.388 -5.097 1.00 0.00 H new ATOM 625 N GLY C 43 16.620 5.907 -6.172 1.00 0.00 N ATOM 626 CA GLY C 43 17.659 6.910 -6.295 1.00 0.00 C ATOM 627 C GLY C 43 18.361 7.169 -4.981 1.00 0.00 C ATOM 628 O GLY C 43 19.430 6.614 -4.731 1.00 0.00 O ATOM 0 H GLY C 43 16.505 5.523 -5.234 1.00 0.00 H new ATOM 0 HA2 GLY C 43 18.389 6.586 -7.037 1.00 0.00 H new ATOM 0 HA3 GLY C 43 17.223 7.839 -6.661 1.00 0.00 H new ATOM 632 N PRO C 44 17.775 8.003 -4.104 1.00 0.00 N ATOM 633 CA PRO C 44 18.346 8.308 -2.785 1.00 0.00 C ATOM 634 C PRO C 44 18.130 7.170 -1.788 1.00 0.00 C ATOM 635 O PRO C 44 17.740 7.388 -0.641 1.00 0.00 O ATOM 636 CB PRO C 44 17.574 9.556 -2.358 1.00 0.00 C ATOM 637 CG PRO C 44 16.247 9.415 -3.021 1.00 0.00 C ATOM 638 CD PRO C 44 16.508 8.726 -4.334 1.00 0.00 C ATOM 0 HA PRO C 44 19.426 8.450 -2.821 1.00 0.00 H new ATOM 0 HB2 PRO C 44 17.473 9.609 -1.274 1.00 0.00 H new ATOM 0 HB3 PRO C 44 18.083 10.466 -2.676 1.00 0.00 H new ATOM 0 HG2 PRO C 44 15.563 8.832 -2.404 1.00 0.00 H new ATOM 0 HG3 PRO C 44 15.784 10.389 -3.177 1.00 0.00 H new ATOM 0 HD2 PRO C 44 15.699 8.044 -4.596 1.00 0.00 H new ATOM 0 HD3 PRO C 44 16.598 9.442 -5.151 1.00 0.00 H new ATOM 646 N TYR C 45 18.382 5.957 -2.245 1.00 0.00 N ATOM 647 CA TYR C 45 18.172 4.760 -1.451 1.00 0.00 C ATOM 648 C TYR C 45 19.336 3.809 -1.669 1.00 0.00 C ATOM 649 O TYR C 45 20.317 4.184 -2.311 1.00 0.00 O ATOM 650 CB TYR C 45 16.858 4.069 -1.826 1.00 0.00 C ATOM 651 CG TYR C 45 15.612 4.903 -1.602 1.00 0.00 C ATOM 652 CD1 TYR C 45 15.008 4.981 -0.352 1.00 0.00 C ATOM 653 CD2 TYR C 45 15.037 5.606 -2.651 1.00 0.00 C ATOM 654 CE1 TYR C 45 13.866 5.735 -0.158 1.00 0.00 C ATOM 655 CE2 TYR C 45 13.898 6.364 -2.464 1.00 0.00 C ATOM 656 CZ TYR C 45 13.316 6.425 -1.217 1.00 0.00 C ATOM 657 OH TYR C 45 12.177 7.173 -1.028 1.00 0.00 O ATOM 0 H TYR C 45 18.740 5.773 -3.182 1.00 0.00 H new ATOM 0 HA TYR C 45 18.113 5.044 -0.400 1.00 0.00 H new ATOM 0 HB2 TYR C 45 16.902 3.783 -2.877 1.00 0.00 H new ATOM 0 HB3 TYR C 45 16.770 3.149 -1.248 1.00 0.00 H new ATOM 0 HD1 TYR C 45 15.438 4.444 0.480 1.00 0.00 H new ATOM 0 HD2 TYR C 45 15.488 5.560 -3.631 1.00 0.00 H new ATOM 0 HE1 TYR C 45 13.407 5.783 0.818 1.00 0.00 H new ATOM 0 HE2 TYR C 45 13.465 6.907 -3.292 1.00 0.00 H new ATOM 0 HH TYR C 45 11.920 7.597 -1.873 1.00 0.00 H new ATOM 667 N ALA C 46 19.235 2.605 -1.117 1.00 0.00 N ATOM 668 CA ALA C 46 20.282 1.595 -1.253 1.00 0.00 C ATOM 669 C ALA C 46 20.757 1.450 -2.701 1.00 0.00 C ATOM 670 O ALA C 46 19.992 1.085 -3.598 1.00 0.00 O ATOM 671 CB ALA C 46 19.793 0.256 -0.717 1.00 0.00 C ATOM 0 H ALA C 46 18.432 2.301 -0.566 1.00 0.00 H new ATOM 0 HA ALA C 46 21.137 1.927 -0.664 1.00 0.00 H new ATOM 0 HB1 ALA C 46 20.582 -0.489 -0.824 1.00 0.00 H new ATOM 0 HB2 ALA C 46 19.532 0.359 0.336 1.00 0.00 H new ATOM 0 HB3 ALA C 46 18.915 -0.062 -1.279 1.00 0.00 H new ATOM 677 N ASP C 47 22.025 1.764 -2.917 1.00 0.00 N ATOM 678 CA ASP C 47 22.644 1.643 -4.229 1.00 0.00 C ATOM 679 C ASP C 47 24.039 1.050 -4.080 1.00 0.00 C ATOM 680 O ASP C 47 24.993 1.464 -4.741 1.00 0.00 O ATOM 681 CB ASP C 47 22.697 3.009 -4.934 1.00 0.00 C ATOM 682 CG ASP C 47 23.659 3.996 -4.289 1.00 0.00 C ATOM 683 OD1 ASP C 47 23.486 4.329 -3.095 1.00 0.00 O ATOM 684 OD2 ASP C 47 24.581 4.468 -4.989 1.00 0.00 O ATOM 0 H ASP C 47 22.653 2.109 -2.191 1.00 0.00 H new ATOM 0 HA ASP C 47 22.043 0.977 -4.848 1.00 0.00 H new ATOM 0 HB2 ASP C 47 22.987 2.860 -5.974 1.00 0.00 H new ATOM 0 HB3 ASP C 47 21.697 3.443 -4.941 1.00 0.00 H new ATOM 689 N GLN C 48 24.136 0.038 -3.229 1.00 0.00 N ATOM 690 CA GLN C 48 25.417 -0.495 -2.809 1.00 0.00 C ATOM 691 C GLN C 48 25.246 -1.845 -2.137 1.00 0.00 C ATOM 692 O GLN C 48 24.119 -2.293 -1.916 1.00 0.00 O ATOM 693 CB GLN C 48 26.125 0.484 -1.866 1.00 0.00 C ATOM 694 CG GLN C 48 25.218 1.211 -0.878 1.00 0.00 C ATOM 695 CD GLN C 48 24.707 0.335 0.254 1.00 0.00 C ATOM 696 OE1 GLN C 48 25.353 -0.629 0.658 1.00 0.00 O ATOM 697 NE2 GLN C 48 23.553 0.692 0.794 1.00 0.00 N ATOM 0 H GLN C 48 23.331 -0.432 -2.814 1.00 0.00 H new ATOM 0 HA GLN C 48 26.035 -0.630 -3.697 1.00 0.00 H new ATOM 0 HB2 GLN C 48 26.882 -0.062 -1.304 1.00 0.00 H new ATOM 0 HB3 GLN C 48 26.649 1.227 -2.467 1.00 0.00 H new ATOM 0 HG2 GLN C 48 25.763 2.054 -0.453 1.00 0.00 H new ATOM 0 HG3 GLN C 48 24.365 1.622 -1.418 1.00 0.00 H new ATOM 0 HE21 GLN C 48 23.047 1.499 0.429 1.00 0.00 H new ATOM 0 HE22 GLN C 48 23.169 0.160 1.575 1.00 0.00 H new ATOM 706 N TYR C 49 26.360 -2.494 -1.819 1.00 0.00 N ATOM 707 CA TYR C 49 26.320 -3.808 -1.193 1.00 0.00 C ATOM 708 C TYR C 49 26.471 -3.693 0.315 1.00 0.00 C ATOM 709 O TYR C 49 27.349 -2.987 0.813 1.00 0.00 O ATOM 710 CB TYR C 49 27.402 -4.737 -1.769 1.00 0.00 C ATOM 711 CG TYR C 49 28.826 -4.352 -1.430 1.00 0.00 C ATOM 712 CD1 TYR C 49 29.467 -3.318 -2.097 1.00 0.00 C ATOM 713 CD2 TYR C 49 29.531 -5.034 -0.446 1.00 0.00 C ATOM 714 CE1 TYR C 49 30.770 -2.974 -1.794 1.00 0.00 C ATOM 715 CE2 TYR C 49 30.832 -4.695 -0.136 1.00 0.00 C ATOM 716 CZ TYR C 49 31.447 -3.664 -0.812 1.00 0.00 C ATOM 717 OH TYR C 49 32.746 -3.325 -0.507 1.00 0.00 O ATOM 0 H TYR C 49 27.299 -2.132 -1.984 1.00 0.00 H new ATOM 0 HA TYR C 49 25.347 -4.247 -1.413 1.00 0.00 H new ATOM 0 HB2 TYR C 49 27.220 -5.749 -1.408 1.00 0.00 H new ATOM 0 HB3 TYR C 49 27.297 -4.762 -2.854 1.00 0.00 H new ATOM 0 HD1 TYR C 49 28.939 -2.773 -2.865 1.00 0.00 H new ATOM 0 HD2 TYR C 49 29.052 -5.843 0.085 1.00 0.00 H new ATOM 0 HE1 TYR C 49 31.256 -2.168 -2.324 1.00 0.00 H new ATOM 0 HE2 TYR C 49 31.365 -5.235 0.632 1.00 0.00 H new ATOM 0 HH TYR C 49 33.077 -3.908 0.208 1.00 0.00 H new ATOM 727 N MET C 50 25.605 -4.382 1.036 1.00 0.00 N ATOM 728 CA MET C 50 25.673 -4.401 2.483 1.00 0.00 C ATOM 729 C MET C 50 26.130 -5.770 2.955 1.00 0.00 C ATOM 730 O MET C 50 26.145 -6.719 2.170 1.00 0.00 O ATOM 731 CB MET C 50 24.321 -4.026 3.104 1.00 0.00 C ATOM 732 CG MET C 50 23.164 -4.912 2.668 1.00 0.00 C ATOM 733 SD MET C 50 21.588 -4.377 3.365 1.00 0.00 S ATOM 734 CE MET C 50 20.469 -5.570 2.635 1.00 0.00 C ATOM 0 H MET C 50 24.845 -4.936 0.641 1.00 0.00 H new ATOM 0 HA MET C 50 26.398 -3.656 2.811 1.00 0.00 H new ATOM 0 HB2 MET C 50 24.408 -4.071 4.190 1.00 0.00 H new ATOM 0 HB3 MET C 50 24.090 -2.993 2.845 1.00 0.00 H new ATOM 0 HG2 MET C 50 23.097 -4.908 1.580 1.00 0.00 H new ATOM 0 HG3 MET C 50 23.362 -5.940 2.972 1.00 0.00 H new ATOM 0 HE1 MET C 50 19.470 -5.140 2.571 1.00 0.00 H new ATOM 0 HE2 MET C 50 20.816 -5.830 1.635 1.00 0.00 H new ATOM 0 HE3 MET C 50 20.439 -6.467 3.254 1.00 0.00 H new ATOM 744 N SER C 51 26.499 -5.862 4.226 1.00 0.00 N ATOM 745 CA SER C 51 27.043 -7.089 4.799 1.00 0.00 C ATOM 746 C SER C 51 26.150 -8.302 4.532 1.00 0.00 C ATOM 747 O SER C 51 24.921 -8.209 4.517 1.00 0.00 O ATOM 748 CB SER C 51 27.232 -6.894 6.298 1.00 0.00 C ATOM 749 OG SER C 51 26.333 -5.917 6.796 1.00 0.00 O ATOM 0 H SER C 51 26.430 -5.090 4.889 1.00 0.00 H new ATOM 0 HA SER C 51 28.001 -7.291 4.319 1.00 0.00 H new ATOM 0 HB2 SER C 51 27.071 -7.840 6.815 1.00 0.00 H new ATOM 0 HB3 SER C 51 28.258 -6.589 6.503 1.00 0.00 H new ATOM 0 HG SER C 51 25.661 -6.350 7.364 1.00 0.00 H new ATOM 755 N ALA C 52 26.802 -9.443 4.324 1.00 0.00 N ATOM 756 CA ALA C 52 26.131 -10.689 3.987 1.00 0.00 C ATOM 757 C ALA C 52 25.205 -11.156 5.096 1.00 0.00 C ATOM 758 O ALA C 52 24.125 -11.673 4.823 1.00 0.00 O ATOM 759 CB ALA C 52 27.156 -11.767 3.674 1.00 0.00 C ATOM 0 H ALA C 52 27.817 -9.526 4.386 1.00 0.00 H new ATOM 0 HA ALA C 52 25.518 -10.502 3.105 1.00 0.00 H new ATOM 0 HB1 ALA C 52 26.643 -12.695 3.423 1.00 0.00 H new ATOM 0 HB2 ALA C 52 27.769 -11.452 2.830 1.00 0.00 H new ATOM 0 HB3 ALA C 52 27.792 -11.928 4.544 1.00 0.00 H new ATOM 765 N GLN C 53 25.628 -10.976 6.339 1.00 0.00 N ATOM 766 CA GLN C 53 24.792 -11.315 7.483 1.00 0.00 C ATOM 767 C GLN C 53 23.551 -10.431 7.493 1.00 0.00 C ATOM 768 O GLN C 53 22.465 -10.849 7.899 1.00 0.00 O ATOM 769 CB GLN C 53 25.580 -11.151 8.783 1.00 0.00 C ATOM 770 CG GLN C 53 26.738 -12.129 8.911 1.00 0.00 C ATOM 771 CD GLN C 53 27.661 -11.803 10.069 1.00 0.00 C ATOM 772 OE1 GLN C 53 28.627 -11.058 9.914 1.00 0.00 O ATOM 773 NE2 GLN C 53 27.376 -12.363 11.234 1.00 0.00 N ATOM 0 H GLN C 53 26.544 -10.598 6.582 1.00 0.00 H new ATOM 0 HA GLN C 53 24.481 -12.357 7.402 1.00 0.00 H new ATOM 0 HB2 GLN C 53 25.965 -10.133 8.841 1.00 0.00 H new ATOM 0 HB3 GLN C 53 24.905 -11.285 9.628 1.00 0.00 H new ATOM 0 HG2 GLN C 53 26.343 -13.137 9.040 1.00 0.00 H new ATOM 0 HG3 GLN C 53 27.312 -12.128 7.984 1.00 0.00 H new ATOM 0 HE21 GLN C 53 26.565 -12.975 11.321 1.00 0.00 H new ATOM 0 HE22 GLN C 53 27.967 -12.182 12.045 1.00 0.00 H new ATOM 782 N THR C 54 23.716 -9.212 7.005 1.00 0.00 N ATOM 783 CA THR C 54 22.609 -8.284 6.906 1.00 0.00 C ATOM 784 C THR C 54 21.696 -8.695 5.756 1.00 0.00 C ATOM 785 O THR C 54 20.475 -8.659 5.869 1.00 0.00 O ATOM 786 CB THR C 54 23.106 -6.839 6.705 1.00 0.00 C ATOM 787 OG1 THR C 54 23.961 -6.473 7.796 1.00 0.00 O ATOM 788 CG2 THR C 54 21.943 -5.860 6.623 1.00 0.00 C ATOM 0 H THR C 54 24.608 -8.845 6.672 1.00 0.00 H new ATOM 0 HA THR C 54 22.050 -8.315 7.841 1.00 0.00 H new ATOM 0 HB THR C 54 23.656 -6.795 5.765 1.00 0.00 H new ATOM 0 HG1 THR C 54 24.099 -5.503 7.793 1.00 0.00 H new ATOM 0 HG21 THR C 54 22.327 -4.850 6.481 1.00 0.00 H new ATOM 0 HG22 THR C 54 21.302 -6.126 5.782 1.00 0.00 H new ATOM 0 HG23 THR C 54 21.366 -5.902 7.547 1.00 0.00 H new ATOM 796 N VAL C 55 22.302 -9.141 4.665 1.00 0.00 N ATOM 797 CA VAL C 55 21.546 -9.553 3.489 1.00 0.00 C ATOM 798 C VAL C 55 20.788 -10.847 3.759 1.00 0.00 C ATOM 799 O VAL C 55 19.693 -11.050 3.253 1.00 0.00 O ATOM 800 CB VAL C 55 22.478 -9.737 2.255 1.00 0.00 C ATOM 801 CG1 VAL C 55 21.776 -10.433 1.081 1.00 0.00 C ATOM 802 CG2 VAL C 55 23.038 -8.397 1.810 1.00 0.00 C ATOM 0 H VAL C 55 23.314 -9.227 4.569 1.00 0.00 H new ATOM 0 HA VAL C 55 20.830 -8.762 3.267 1.00 0.00 H new ATOM 0 HB VAL C 55 23.294 -10.387 2.570 1.00 0.00 H new ATOM 0 HG11 VAL C 55 22.473 -10.535 0.249 1.00 0.00 H new ATOM 0 HG12 VAL C 55 21.437 -11.421 1.393 1.00 0.00 H new ATOM 0 HG13 VAL C 55 20.919 -9.839 0.766 1.00 0.00 H new ATOM 0 HG21 VAL C 55 23.687 -8.543 0.947 1.00 0.00 H new ATOM 0 HG22 VAL C 55 22.218 -7.732 1.539 1.00 0.00 H new ATOM 0 HG23 VAL C 55 23.611 -7.954 2.624 1.00 0.00 H new ATOM 812 N ALA C 56 21.358 -11.698 4.589 1.00 0.00 N ATOM 813 CA ALA C 56 20.785 -13.006 4.849 1.00 0.00 C ATOM 814 C ALA C 56 19.473 -12.906 5.607 1.00 0.00 C ATOM 815 O ALA C 56 18.600 -13.761 5.463 1.00 0.00 O ATOM 816 CB ALA C 56 21.768 -13.876 5.612 1.00 0.00 C ATOM 0 H ALA C 56 22.221 -11.507 5.097 1.00 0.00 H new ATOM 0 HA ALA C 56 20.576 -13.468 3.884 1.00 0.00 H new ATOM 0 HB1 ALA C 56 21.321 -14.853 5.798 1.00 0.00 H new ATOM 0 HB2 ALA C 56 22.678 -13.999 5.024 1.00 0.00 H new ATOM 0 HB3 ALA C 56 22.012 -13.402 6.563 1.00 0.00 H new ATOM 822 N VAL C 57 19.329 -11.871 6.419 1.00 0.00 N ATOM 823 CA VAL C 57 18.094 -11.703 7.181 1.00 0.00 C ATOM 824 C VAL C 57 17.210 -10.622 6.573 1.00 0.00 C ATOM 825 O VAL C 57 15.997 -10.610 6.781 1.00 0.00 O ATOM 826 CB VAL C 57 18.359 -11.341 8.655 1.00 0.00 C ATOM 827 CG1 VAL C 57 17.172 -11.726 9.523 1.00 0.00 C ATOM 828 CG2 VAL C 57 19.632 -12.000 9.162 1.00 0.00 C ATOM 0 H VAL C 57 20.032 -11.147 6.569 1.00 0.00 H new ATOM 0 HA VAL C 57 17.586 -12.667 7.139 1.00 0.00 H new ATOM 0 HB VAL C 57 18.494 -10.261 8.716 1.00 0.00 H new ATOM 0 HG11 VAL C 57 17.379 -11.462 10.560 1.00 0.00 H new ATOM 0 HG12 VAL C 57 16.284 -11.192 9.183 1.00 0.00 H new ATOM 0 HG13 VAL C 57 17.000 -12.800 9.449 1.00 0.00 H new ATOM 0 HG21 VAL C 57 19.793 -11.726 10.205 1.00 0.00 H new ATOM 0 HG22 VAL C 57 19.538 -13.083 9.081 1.00 0.00 H new ATOM 0 HG23 VAL C 57 20.479 -11.664 8.564 1.00 0.00 H new ATOM 838 N PHE C 58 17.809 -9.708 5.823 1.00 0.00 N ATOM 839 CA PHE C 58 17.058 -8.583 5.290 1.00 0.00 C ATOM 840 C PHE C 58 16.828 -8.708 3.789 1.00 0.00 C ATOM 841 O PHE C 58 16.336 -7.772 3.161 1.00 0.00 O ATOM 842 CB PHE C 58 17.758 -7.260 5.604 1.00 0.00 C ATOM 843 CG PHE C 58 17.699 -6.881 7.057 1.00 0.00 C ATOM 844 CD1 PHE C 58 16.590 -6.226 7.566 1.00 0.00 C ATOM 845 CD2 PHE C 58 18.748 -7.177 7.911 1.00 0.00 C ATOM 846 CE1 PHE C 58 16.529 -5.874 8.899 1.00 0.00 C ATOM 847 CE2 PHE C 58 18.693 -6.827 9.245 1.00 0.00 C ATOM 848 CZ PHE C 58 17.582 -6.174 9.739 1.00 0.00 C ATOM 0 H PHE C 58 18.798 -9.722 5.573 1.00 0.00 H new ATOM 0 HA PHE C 58 16.084 -8.594 5.779 1.00 0.00 H new ATOM 0 HB2 PHE C 58 18.802 -7.328 5.297 1.00 0.00 H new ATOM 0 HB3 PHE C 58 17.302 -6.467 5.011 1.00 0.00 H new ATOM 0 HD1 PHE C 58 15.764 -5.988 6.912 1.00 0.00 H new ATOM 0 HD2 PHE C 58 19.619 -7.688 7.529 1.00 0.00 H new ATOM 0 HE1 PHE C 58 15.658 -5.364 9.284 1.00 0.00 H new ATOM 0 HE2 PHE C 58 19.518 -7.064 9.901 1.00 0.00 H new ATOM 0 HZ PHE C 58 17.537 -5.898 10.782 1.00 0.00 H new ATOM 858 N LYS C 59 17.203 -9.851 3.216 1.00 0.00 N ATOM 859 CA LYS C 59 16.925 -10.131 1.806 1.00 0.00 C ATOM 860 C LYS C 59 15.431 -9.988 1.507 1.00 0.00 C ATOM 861 O LYS C 59 14.608 -10.748 2.022 1.00 0.00 O ATOM 862 CB LYS C 59 17.407 -11.537 1.423 1.00 0.00 C ATOM 863 CG LYS C 59 16.936 -12.641 2.361 1.00 0.00 C ATOM 864 CD LYS C 59 17.419 -14.005 1.899 1.00 0.00 C ATOM 865 CE LYS C 59 17.076 -15.084 2.910 1.00 0.00 C ATOM 866 NZ LYS C 59 15.615 -15.166 3.165 1.00 0.00 N ATOM 0 H LYS C 59 17.699 -10.597 3.704 1.00 0.00 H new ATOM 0 HA LYS C 59 17.471 -9.402 1.207 1.00 0.00 H new ATOM 0 HB2 LYS C 59 17.063 -11.763 0.414 1.00 0.00 H new ATOM 0 HB3 LYS C 59 18.497 -11.540 1.397 1.00 0.00 H new ATOM 0 HG2 LYS C 59 17.303 -12.446 3.369 1.00 0.00 H new ATOM 0 HG3 LYS C 59 15.847 -12.637 2.412 1.00 0.00 H new ATOM 0 HD2 LYS C 59 16.966 -14.247 0.938 1.00 0.00 H new ATOM 0 HD3 LYS C 59 18.498 -13.978 1.745 1.00 0.00 H new ATOM 0 HE2 LYS C 59 17.435 -16.047 2.548 1.00 0.00 H new ATOM 0 HE3 LYS C 59 17.596 -14.882 3.846 1.00 0.00 H new ATOM 0 HZ1 LYS C 59 15.408 -16.017 3.725 1.00 0.00 H new ATOM 0 HZ2 LYS C 59 15.306 -14.323 3.690 1.00 0.00 H new ATOM 0 HZ3 LYS C 59 15.107 -15.215 2.259 1.00 0.00 H new ATOM 880 N PRO C 60 15.057 -8.988 0.697 1.00 0.00 N ATOM 881 CA PRO C 60 13.676 -8.744 0.347 1.00 0.00 C ATOM 882 C PRO C 60 13.275 -9.448 -0.947 1.00 0.00 C ATOM 883 O PRO C 60 13.031 -10.651 -0.951 1.00 0.00 O ATOM 884 CB PRO C 60 13.634 -7.222 0.195 1.00 0.00 C ATOM 885 CG PRO C 60 15.035 -6.810 -0.166 1.00 0.00 C ATOM 886 CD PRO C 60 15.940 -8.001 0.066 1.00 0.00 C ATOM 0 HA PRO C 60 12.976 -9.128 1.089 1.00 0.00 H new ATOM 0 HB2 PRO C 60 12.927 -6.925 -0.580 1.00 0.00 H new ATOM 0 HB3 PRO C 60 13.312 -6.745 1.121 1.00 0.00 H new ATOM 0 HG2 PRO C 60 15.083 -6.490 -1.207 1.00 0.00 H new ATOM 0 HG3 PRO C 60 15.353 -5.964 0.443 1.00 0.00 H new ATOM 0 HD2 PRO C 60 16.357 -8.376 -0.869 1.00 0.00 H new ATOM 0 HD3 PRO C 60 16.781 -7.746 0.710 1.00 0.00 H new ATOM 894 N GLU C 61 13.254 -8.702 -2.046 1.00 0.00 N ATOM 895 CA GLU C 61 12.857 -9.229 -3.347 1.00 0.00 C ATOM 896 C GLU C 61 13.450 -8.378 -4.455 1.00 0.00 C ATOM 897 O GLU C 61 13.496 -7.157 -4.352 1.00 0.00 O ATOM 898 CB GLU C 61 11.331 -9.257 -3.495 1.00 0.00 C ATOM 899 CG GLU C 61 10.666 -10.450 -2.830 1.00 0.00 C ATOM 900 CD GLU C 61 10.921 -11.749 -3.564 1.00 0.00 C ATOM 901 OE1 GLU C 61 10.258 -11.993 -4.592 1.00 0.00 O ATOM 902 OE2 GLU C 61 11.785 -12.538 -3.118 1.00 0.00 O ATOM 0 H GLU C 61 13.512 -7.715 -2.060 1.00 0.00 H new ATOM 0 HA GLU C 61 13.232 -10.250 -3.421 1.00 0.00 H new ATOM 0 HB2 GLU C 61 10.919 -8.341 -3.071 1.00 0.00 H new ATOM 0 HB3 GLU C 61 11.079 -9.259 -4.556 1.00 0.00 H new ATOM 0 HG2 GLU C 61 11.030 -10.539 -1.806 1.00 0.00 H new ATOM 0 HG3 GLU C 61 9.592 -10.276 -2.772 1.00 0.00 H new ATOM 909 N VAL C 62 13.893 -9.022 -5.513 1.00 0.00 N ATOM 910 CA VAL C 62 14.445 -8.312 -6.648 1.00 0.00 C ATOM 911 C VAL C 62 13.328 -7.940 -7.618 1.00 0.00 C ATOM 912 O VAL C 62 12.730 -8.794 -8.276 1.00 0.00 O ATOM 913 CB VAL C 62 15.561 -9.122 -7.361 1.00 0.00 C ATOM 914 CG1 VAL C 62 15.097 -10.527 -7.710 1.00 0.00 C ATOM 915 CG2 VAL C 62 16.051 -8.395 -8.605 1.00 0.00 C ATOM 0 H VAL C 62 13.882 -10.037 -5.612 1.00 0.00 H new ATOM 0 HA VAL C 62 14.913 -7.400 -6.278 1.00 0.00 H new ATOM 0 HB VAL C 62 16.394 -9.211 -6.664 1.00 0.00 H new ATOM 0 HG11 VAL C 62 15.905 -11.064 -8.208 1.00 0.00 H new ATOM 0 HG12 VAL C 62 14.818 -11.055 -6.798 1.00 0.00 H new ATOM 0 HG13 VAL C 62 14.235 -10.471 -8.375 1.00 0.00 H new ATOM 0 HG21 VAL C 62 16.832 -8.983 -9.086 1.00 0.00 H new ATOM 0 HG22 VAL C 62 15.221 -8.259 -9.298 1.00 0.00 H new ATOM 0 HG23 VAL C 62 16.451 -7.421 -8.323 1.00 0.00 H new ATOM 925 N GLY C 63 13.016 -6.658 -7.650 1.00 0.00 N ATOM 926 CA GLY C 63 11.963 -6.167 -8.518 1.00 0.00 C ATOM 927 C GLY C 63 10.699 -5.803 -7.759 1.00 0.00 C ATOM 928 O GLY C 63 9.753 -5.273 -8.340 1.00 0.00 O ATOM 0 H GLY C 63 13.474 -5.941 -7.088 1.00 0.00 H new ATOM 0 HA2 GLY C 63 12.322 -5.291 -9.058 1.00 0.00 H new ATOM 0 HA3 GLY C 63 11.728 -6.927 -9.263 1.00 0.00 H new ATOM 932 N GLY C 64 10.678 -6.081 -6.457 1.00 0.00 N ATOM 933 CA GLY C 64 9.518 -5.765 -5.659 1.00 0.00 C ATOM 934 C GLY C 64 9.583 -4.365 -5.087 1.00 0.00 C ATOM 935 O GLY C 64 10.314 -3.509 -5.590 1.00 0.00 O ATOM 0 H GLY C 64 11.445 -6.519 -5.947 1.00 0.00 H new ATOM 0 HA2 GLY C 64 8.621 -5.865 -6.270 1.00 0.00 H new ATOM 0 HA3 GLY C 64 9.432 -6.485 -4.845 1.00 0.00 H new ATOM 939 N TYR C 65 8.829 -4.131 -4.031 1.00 0.00 N ATOM 940 CA TYR C 65 8.784 -2.820 -3.407 1.00 0.00 C ATOM 941 C TYR C 65 8.966 -2.925 -1.900 1.00 0.00 C ATOM 942 O TYR C 65 8.240 -3.656 -1.224 1.00 0.00 O ATOM 943 CB TYR C 65 7.462 -2.116 -3.729 1.00 0.00 C ATOM 944 CG TYR C 65 7.369 -1.638 -5.162 1.00 0.00 C ATOM 945 CD1 TYR C 65 6.710 -2.386 -6.132 1.00 0.00 C ATOM 946 CD2 TYR C 65 7.954 -0.438 -5.547 1.00 0.00 C ATOM 947 CE1 TYR C 65 6.638 -1.950 -7.442 1.00 0.00 C ATOM 948 CE2 TYR C 65 7.884 0.004 -6.854 1.00 0.00 C ATOM 949 CZ TYR C 65 7.225 -0.754 -7.797 1.00 0.00 C ATOM 950 OH TYR C 65 7.159 -0.315 -9.102 1.00 0.00 O ATOM 0 H TYR C 65 8.237 -4.832 -3.585 1.00 0.00 H new ATOM 0 HA TYR C 65 9.606 -2.229 -3.812 1.00 0.00 H new ATOM 0 HB2 TYR C 65 6.637 -2.799 -3.527 1.00 0.00 H new ATOM 0 HB3 TYR C 65 7.341 -1.263 -3.061 1.00 0.00 H new ATOM 0 HD1 TYR C 65 6.247 -3.322 -5.857 1.00 0.00 H new ATOM 0 HD2 TYR C 65 8.472 0.160 -4.812 1.00 0.00 H new ATOM 0 HE1 TYR C 65 6.124 -2.543 -8.184 1.00 0.00 H new ATOM 0 HE2 TYR C 65 8.344 0.940 -7.135 1.00 0.00 H new ATOM 0 HH TYR C 65 7.622 0.545 -9.182 1.00 0.00 H new ATOM 960 N LEU C 66 9.963 -2.224 -1.382 1.00 0.00 N ATOM 961 CA LEU C 66 10.096 -2.048 0.053 1.00 0.00 C ATOM 962 C LEU C 66 9.127 -0.960 0.491 1.00 0.00 C ATOM 963 O LEU C 66 8.629 -0.203 -0.340 1.00 0.00 O ATOM 964 CB LEU C 66 11.527 -1.646 0.444 1.00 0.00 C ATOM 965 CG LEU C 66 12.575 -2.761 0.489 1.00 0.00 C ATOM 966 CD1 LEU C 66 13.906 -2.209 0.976 1.00 0.00 C ATOM 967 CD2 LEU C 66 12.128 -3.896 1.387 1.00 0.00 C ATOM 0 H LEU C 66 10.690 -1.769 -1.934 1.00 0.00 H new ATOM 0 HA LEU C 66 9.872 -2.994 0.546 1.00 0.00 H new ATOM 0 HB2 LEU C 66 11.870 -0.887 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU C 66 11.490 -1.176 1.427 1.00 0.00 H new ATOM 0 HG LEU C 66 12.695 -3.152 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU C 66 14.644 -3.011 1.004 1.00 0.00 H new ATOM 0 HD12 LEU C 66 14.246 -1.427 0.297 1.00 0.00 H new ATOM 0 HD13 LEU C 66 13.783 -1.793 1.976 1.00 0.00 H new ATOM 0 HD21 LEU C 66 12.892 -4.673 1.399 1.00 0.00 H new ATOM 0 HD22 LEU C 66 11.976 -3.521 2.399 1.00 0.00 H new ATOM 0 HD23 LEU C 66 11.194 -4.312 1.010 1.00 0.00 H new ATOM 979 N PHE C 67 8.850 -0.876 1.772 1.00 0.00 N ATOM 980 CA PHE C 67 8.006 0.186 2.285 1.00 0.00 C ATOM 981 C PHE C 67 8.445 0.546 3.692 1.00 0.00 C ATOM 982 O PHE C 67 8.923 -0.315 4.429 1.00 0.00 O ATOM 983 CB PHE C 67 6.528 -0.233 2.259 1.00 0.00 C ATOM 984 CG PHE C 67 6.172 -1.311 3.242 1.00 0.00 C ATOM 985 CD1 PHE C 67 6.223 -2.640 2.870 1.00 0.00 C ATOM 986 CD2 PHE C 67 5.785 -0.996 4.536 1.00 0.00 C ATOM 987 CE1 PHE C 67 5.894 -3.638 3.766 1.00 0.00 C ATOM 988 CE2 PHE C 67 5.455 -1.988 5.438 1.00 0.00 C ATOM 989 CZ PHE C 67 5.510 -3.312 5.053 1.00 0.00 C ATOM 0 H PHE C 67 9.194 -1.527 2.478 1.00 0.00 H new ATOM 0 HA PHE C 67 8.110 1.064 1.648 1.00 0.00 H new ATOM 0 HB2 PHE C 67 5.911 0.643 2.459 1.00 0.00 H new ATOM 0 HB3 PHE C 67 6.278 -0.576 1.255 1.00 0.00 H new ATOM 0 HD1 PHE C 67 6.524 -2.902 1.866 1.00 0.00 H new ATOM 0 HD2 PHE C 67 5.741 0.039 4.842 1.00 0.00 H new ATOM 0 HE1 PHE C 67 5.937 -4.673 3.461 1.00 0.00 H new ATOM 0 HE2 PHE C 67 5.155 -1.728 6.442 1.00 0.00 H new ATOM 0 HZ PHE C 67 5.254 -4.091 5.755 1.00 0.00 H new ATOM 999 N ARG C 68 8.294 1.808 4.060 1.00 0.00 N ATOM 1000 CA ARG C 68 8.731 2.275 5.362 1.00 0.00 C ATOM 1001 C ARG C 68 7.660 3.147 5.983 1.00 0.00 C ATOM 1002 O ARG C 68 7.274 4.170 5.411 1.00 0.00 O ATOM 1003 CB ARG C 68 10.034 3.063 5.225 1.00 0.00 C ATOM 1004 CG ARG C 68 10.519 3.696 6.520 1.00 0.00 C ATOM 1005 CD ARG C 68 11.703 4.612 6.259 1.00 0.00 C ATOM 1006 NE ARG C 68 11.349 5.696 5.341 1.00 0.00 N ATOM 1007 CZ ARG C 68 12.192 6.253 4.472 1.00 0.00 C ATOM 1008 NH1 ARG C 68 13.460 5.859 4.414 1.00 0.00 N ATOM 1009 NH2 ARG C 68 11.766 7.214 3.663 1.00 0.00 N ATOM 0 H ARG C 68 7.871 2.527 3.473 1.00 0.00 H new ATOM 0 HA ARG C 68 8.906 1.414 6.008 1.00 0.00 H new ATOM 0 HB2 ARG C 68 10.810 2.398 4.846 1.00 0.00 H new ATOM 0 HB3 ARG C 68 9.895 3.847 4.480 1.00 0.00 H new ATOM 0 HG2 ARG C 68 9.709 4.262 6.980 1.00 0.00 H new ATOM 0 HG3 ARG C 68 10.804 2.917 7.227 1.00 0.00 H new ATOM 0 HD2 ARG C 68 12.055 5.032 7.201 1.00 0.00 H new ATOM 0 HD3 ARG C 68 12.527 4.034 5.841 1.00 0.00 H new ATOM 0 HE ARG C 68 10.392 6.049 5.368 1.00 0.00 H new ATOM 0 HH11 ARG C 68 13.795 5.125 5.038 1.00 0.00 H new ATOM 0 HH12 ARG C 68 14.098 6.291 3.746 1.00 0.00 H new ATOM 0 HH21 ARG C 68 10.796 7.525 3.707 1.00 0.00 H new ATOM 0 HH22 ARG C 68 12.409 7.642 2.997 1.00 0.00 H new ATOM 1023 N SER C 69 7.173 2.747 7.142 1.00 0.00 N ATOM 1024 CA SER C 69 6.181 3.532 7.831 1.00 0.00 C ATOM 1025 C SER C 69 6.862 4.435 8.834 1.00 0.00 C ATOM 1026 O SER C 69 8.022 4.232 9.194 1.00 0.00 O ATOM 1027 CB SER C 69 5.148 2.641 8.522 1.00 0.00 C ATOM 1028 OG SER C 69 5.770 1.655 9.327 1.00 0.00 O ATOM 0 H SER C 69 7.449 1.889 7.619 1.00 0.00 H new ATOM 0 HA SER C 69 5.649 4.141 7.100 1.00 0.00 H new ATOM 0 HB2 SER C 69 4.491 3.254 9.138 1.00 0.00 H new ATOM 0 HB3 SER C 69 4.522 2.158 7.772 1.00 0.00 H new ATOM 0 HG SER C 69 5.084 1.103 9.756 1.00 0.00 H new ATOM 1034 N GLN C 70 6.121 5.416 9.295 1.00 0.00 N ATOM 1035 CA GLN C 70 6.665 6.460 10.151 1.00 0.00 C ATOM 1036 C GLN C 70 6.794 5.991 11.597 1.00 0.00 C ATOM 1037 O GLN C 70 6.888 6.800 12.520 1.00 0.00 O ATOM 1038 CB GLN C 70 5.786 7.702 10.059 1.00 0.00 C ATOM 1039 CG GLN C 70 5.720 8.277 8.656 1.00 0.00 C ATOM 1040 CD GLN C 70 4.670 9.352 8.521 1.00 0.00 C ATOM 1041 OE1 GLN C 70 3.464 8.940 8.186 1.00 0.00 O flip ATOM 1042 NE2 GLN C 70 4.940 10.537 8.716 1.00 0.00 N flip ATOM 0 H GLN C 70 5.127 5.518 9.092 1.00 0.00 H new ATOM 0 HA GLN C 70 7.669 6.703 9.804 1.00 0.00 H new ATOM 0 HB2 GLN C 70 4.778 7.453 10.392 1.00 0.00 H new ATOM 0 HB3 GLN C 70 6.168 8.462 10.740 1.00 0.00 H new ATOM 0 HG2 GLN C 70 6.693 8.689 8.389 1.00 0.00 H new ATOM 0 HG3 GLN C 70 5.508 7.476 7.948 1.00 0.00 H new ATOM 0 HE21 GLN C 70 5.889 10.808 8.974 1.00 0.00 H new ATOM 0 HE22 GLN C 70 4.215 11.248 8.620 1.00 0.00 H new ATOM 1051 N TYR C 71 6.789 4.678 11.781 1.00 0.00 N ATOM 1052 CA TYR C 71 7.022 4.080 13.085 1.00 0.00 C ATOM 1053 C TYR C 71 8.412 3.466 13.119 1.00 0.00 C ATOM 1054 O TYR C 71 8.876 2.998 14.157 1.00 0.00 O ATOM 1055 CB TYR C 71 5.972 3.009 13.384 1.00 0.00 C ATOM 1056 CG TYR C 71 4.550 3.513 13.294 1.00 0.00 C ATOM 1057 CD1 TYR C 71 3.818 3.363 12.126 1.00 0.00 C ATOM 1058 CD2 TYR C 71 3.943 4.136 14.376 1.00 0.00 C ATOM 1059 CE1 TYR C 71 2.519 3.822 12.036 1.00 0.00 C ATOM 1060 CE2 TYR C 71 2.644 4.597 14.293 1.00 0.00 C ATOM 1061 CZ TYR C 71 1.937 4.436 13.122 1.00 0.00 C ATOM 1062 OH TYR C 71 0.642 4.898 13.033 1.00 0.00 O ATOM 0 H TYR C 71 6.624 4.002 11.035 1.00 0.00 H new ATOM 0 HA TYR C 71 6.946 4.856 13.846 1.00 0.00 H new ATOM 0 HB2 TYR C 71 6.100 2.182 12.686 1.00 0.00 H new ATOM 0 HB3 TYR C 71 6.145 2.612 14.384 1.00 0.00 H new ATOM 0 HD1 TYR C 71 4.271 2.879 11.273 1.00 0.00 H new ATOM 0 HD2 TYR C 71 4.495 4.262 15.296 1.00 0.00 H new ATOM 0 HE1 TYR C 71 1.962 3.700 11.119 1.00 0.00 H new ATOM 0 HE2 TYR C 71 2.185 5.081 15.142 1.00 0.00 H new ATOM 0 HH TYR C 71 0.380 5.304 13.886 1.00 0.00 H new ATOM 1072 N GLY C 72 9.068 3.468 11.965 1.00 0.00 N ATOM 1073 CA GLY C 72 10.403 2.921 11.870 1.00 0.00 C ATOM 1074 C GLY C 72 10.419 1.535 11.265 1.00 0.00 C ATOM 1075 O GLY C 72 11.482 0.973 11.017 1.00 0.00 O ATOM 0 H GLY C 72 8.695 3.841 11.092 1.00 0.00 H new ATOM 0 HA2 GLY C 72 11.022 3.585 11.266 1.00 0.00 H new ATOM 0 HA3 GLY C 72 10.849 2.885 12.864 1.00 0.00 H new ATOM 1079 N GLU C 73 9.239 0.981 11.020 1.00 0.00 N ATOM 1080 CA GLU C 73 9.136 -0.358 10.461 1.00 0.00 C ATOM 1081 C GLU C 73 9.157 -0.320 8.939 1.00 0.00 C ATOM 1082 O GLU C 73 8.353 0.367 8.307 1.00 0.00 O ATOM 1083 CB GLU C 73 7.868 -1.062 10.945 1.00 0.00 C ATOM 1084 CG GLU C 73 7.875 -1.381 12.432 1.00 0.00 C ATOM 1085 CD GLU C 73 6.741 -2.303 12.831 1.00 0.00 C ATOM 1086 OE1 GLU C 73 6.882 -3.533 12.662 1.00 0.00 O ATOM 1087 OE2 GLU C 73 5.706 -1.806 13.325 1.00 0.00 O ATOM 0 H GLU C 73 8.344 1.437 11.199 1.00 0.00 H new ATOM 0 HA GLU C 73 10.002 -0.922 10.808 1.00 0.00 H new ATOM 0 HB2 GLU C 73 7.006 -0.433 10.721 1.00 0.00 H new ATOM 0 HB3 GLU C 73 7.741 -1.988 10.384 1.00 0.00 H new ATOM 0 HG2 GLU C 73 8.826 -1.843 12.697 1.00 0.00 H new ATOM 0 HG3 GLU C 73 7.802 -0.454 13.000 1.00 0.00 H new ATOM 1094 N LEU C 74 10.096 -1.049 8.365 1.00 0.00 N ATOM 1095 CA LEU C 74 10.193 -1.183 6.923 1.00 0.00 C ATOM 1096 C LEU C 74 10.339 -2.651 6.548 1.00 0.00 C ATOM 1097 O LEU C 74 11.057 -3.403 7.208 1.00 0.00 O ATOM 1098 CB LEU C 74 11.359 -0.362 6.352 1.00 0.00 C ATOM 1099 CG LEU C 74 12.750 -0.710 6.882 1.00 0.00 C ATOM 1100 CD1 LEU C 74 13.821 -0.206 5.928 1.00 0.00 C ATOM 1101 CD2 LEU C 74 12.961 -0.109 8.264 1.00 0.00 C ATOM 0 H LEU C 74 10.810 -1.563 8.882 1.00 0.00 H new ATOM 0 HA LEU C 74 9.275 -0.790 6.486 1.00 0.00 H new ATOM 0 HB2 LEU C 74 11.365 -0.482 5.269 1.00 0.00 H new ATOM 0 HB3 LEU C 74 11.168 0.692 6.555 1.00 0.00 H new ATOM 0 HG LEU C 74 12.826 -1.795 6.957 1.00 0.00 H new ATOM 0 HD11 LEU C 74 14.806 -0.461 6.319 1.00 0.00 H new ATOM 0 HD12 LEU C 74 13.687 -0.671 4.951 1.00 0.00 H new ATOM 0 HD13 LEU C 74 13.740 0.876 5.829 1.00 0.00 H new ATOM 0 HD21 LEU C 74 13.957 -0.367 8.625 1.00 0.00 H new ATOM 0 HD22 LEU C 74 12.865 0.975 8.208 1.00 0.00 H new ATOM 0 HD23 LEU C 74 12.212 -0.504 8.951 1.00 0.00 H new ATOM 1113 N LEU C 75 9.646 -3.045 5.497 1.00 0.00 N ATOM 1114 CA LEU C 75 9.617 -4.432 5.042 1.00 0.00 C ATOM 1115 C LEU C 75 9.410 -4.457 3.535 1.00 0.00 C ATOM 1116 O LEU C 75 9.285 -3.403 2.911 1.00 0.00 O ATOM 1117 CB LEU C 75 8.479 -5.201 5.729 1.00 0.00 C ATOM 1118 CG LEU C 75 8.625 -5.404 7.239 1.00 0.00 C ATOM 1119 CD1 LEU C 75 7.320 -5.906 7.833 1.00 0.00 C ATOM 1120 CD2 LEU C 75 9.752 -6.383 7.543 1.00 0.00 C ATOM 0 H LEU C 75 9.083 -2.413 4.928 1.00 0.00 H new ATOM 0 HA LEU C 75 10.563 -4.910 5.298 1.00 0.00 H new ATOM 0 HB2 LEU C 75 7.544 -4.672 5.542 1.00 0.00 H new ATOM 0 HB3 LEU C 75 8.391 -6.180 5.257 1.00 0.00 H new ATOM 0 HG LEU C 75 8.870 -4.443 7.692 1.00 0.00 H new ATOM 0 HD11 LEU C 75 7.439 -6.046 8.907 1.00 0.00 H new ATOM 0 HD12 LEU C 75 6.531 -5.177 7.647 1.00 0.00 H new ATOM 0 HD13 LEU C 75 7.052 -6.856 7.371 1.00 0.00 H new ATOM 0 HD21 LEU C 75 9.839 -6.514 8.622 1.00 0.00 H new ATOM 0 HD22 LEU C 75 9.534 -7.344 7.078 1.00 0.00 H new ATOM 0 HD23 LEU C 75 10.690 -5.993 7.148 1.00 0.00 H new ATOM 1132 N TYR C 76 9.366 -5.646 2.949 1.00 0.00 N ATOM 1133 CA TYR C 76 9.110 -5.764 1.522 1.00 0.00 C ATOM 1134 C TYR C 76 7.712 -6.310 1.289 1.00 0.00 C ATOM 1135 O TYR C 76 7.244 -7.175 2.030 1.00 0.00 O ATOM 1136 CB TYR C 76 10.155 -6.657 0.831 1.00 0.00 C ATOM 1137 CG TYR C 76 9.974 -8.148 1.043 1.00 0.00 C ATOM 1138 CD1 TYR C 76 9.209 -8.899 0.160 1.00 0.00 C ATOM 1139 CD2 TYR C 76 10.576 -8.801 2.110 1.00 0.00 C ATOM 1140 CE1 TYR C 76 9.046 -10.259 0.334 1.00 0.00 C ATOM 1141 CE2 TYR C 76 10.417 -10.162 2.292 1.00 0.00 C ATOM 1142 CZ TYR C 76 9.651 -10.885 1.402 1.00 0.00 C ATOM 1143 OH TYR C 76 9.498 -12.243 1.577 1.00 0.00 O ATOM 0 H TYR C 76 9.503 -6.533 3.434 1.00 0.00 H new ATOM 0 HA TYR C 76 9.186 -4.769 1.083 1.00 0.00 H new ATOM 0 HB2 TYR C 76 10.132 -6.453 -0.240 1.00 0.00 H new ATOM 0 HB3 TYR C 76 11.145 -6.373 1.188 1.00 0.00 H new ATOM 0 HD1 TYR C 76 8.733 -8.411 -0.678 1.00 0.00 H new ATOM 0 HD2 TYR C 76 11.177 -8.237 2.808 1.00 0.00 H new ATOM 0 HE1 TYR C 76 8.448 -10.828 -0.362 1.00 0.00 H new ATOM 0 HE2 TYR C 76 10.890 -10.657 3.127 1.00 0.00 H new ATOM 0 HH TYR C 76 9.989 -12.527 2.376 1.00 0.00 H new ATOM 1153 N MET C 77 7.043 -5.790 0.276 1.00 0.00 N ATOM 1154 CA MET C 77 5.717 -6.257 -0.079 1.00 0.00 C ATOM 1155 C MET C 77 5.469 -6.098 -1.566 1.00 0.00 C ATOM 1156 O MET C 77 5.953 -5.154 -2.191 1.00 0.00 O ATOM 1157 CB MET C 77 4.652 -5.480 0.699 1.00 0.00 C ATOM 1158 CG MET C 77 4.257 -6.126 2.016 1.00 0.00 C ATOM 1159 SD MET C 77 3.433 -7.713 1.793 1.00 0.00 S ATOM 1160 CE MET C 77 2.035 -7.229 0.781 1.00 0.00 C ATOM 0 H MET C 77 7.399 -5.041 -0.317 1.00 0.00 H new ATOM 0 HA MET C 77 5.655 -7.314 0.179 1.00 0.00 H new ATOM 0 HB2 MET C 77 5.022 -4.474 0.896 1.00 0.00 H new ATOM 0 HB3 MET C 77 3.764 -5.377 0.076 1.00 0.00 H new ATOM 0 HG2 MET C 77 5.148 -6.267 2.628 1.00 0.00 H new ATOM 0 HG3 MET C 77 3.597 -5.452 2.563 1.00 0.00 H new ATOM 0 HE1 MET C 77 1.236 -7.962 0.890 1.00 0.00 H new ATOM 0 HE2 MET C 77 1.676 -6.250 1.100 1.00 0.00 H new ATOM 0 HE3 MET C 77 2.342 -7.180 -0.264 1.00 0.00 H new ATOM 1170 N SER C 78 4.746 -7.051 -2.133 1.00 0.00 N ATOM 1171 CA SER C 78 4.207 -6.895 -3.467 1.00 0.00 C ATOM 1172 C SER C 78 3.185 -5.765 -3.435 1.00 0.00 C ATOM 1173 O SER C 78 2.268 -5.774 -2.604 1.00 0.00 O ATOM 1174 CB SER C 78 3.558 -8.205 -3.921 1.00 0.00 C ATOM 1175 OG SER C 78 2.621 -8.663 -2.959 1.00 0.00 O ATOM 0 H SER C 78 4.521 -7.940 -1.686 1.00 0.00 H new ATOM 0 HA SER C 78 4.999 -6.652 -4.175 1.00 0.00 H new ATOM 0 HB2 SER C 78 3.059 -8.056 -4.879 1.00 0.00 H new ATOM 0 HB3 SER C 78 4.327 -8.962 -4.076 1.00 0.00 H new ATOM 0 HG SER C 78 2.197 -7.894 -2.524 1.00 0.00 H new ATOM 1181 N LYS C 79 3.359 -4.789 -4.322 1.00 0.00 N ATOM 1182 CA LYS C 79 2.570 -3.568 -4.277 1.00 0.00 C ATOM 1183 C LYS C 79 1.091 -3.863 -4.448 1.00 0.00 C ATOM 1184 O LYS C 79 0.262 -3.130 -3.949 1.00 0.00 O ATOM 1185 CB LYS C 79 3.017 -2.562 -5.347 1.00 0.00 C ATOM 1186 CG LYS C 79 2.421 -2.805 -6.726 1.00 0.00 C ATOM 1187 CD LYS C 79 2.651 -1.619 -7.648 1.00 0.00 C ATOM 1188 CE LYS C 79 1.833 -1.728 -8.927 1.00 0.00 C ATOM 1189 NZ LYS C 79 0.367 -1.676 -8.667 1.00 0.00 N ATOM 0 H LYS C 79 4.041 -4.823 -5.080 1.00 0.00 H new ATOM 0 HA LYS C 79 2.735 -3.126 -3.295 1.00 0.00 H new ATOM 0 HB2 LYS C 79 2.747 -1.558 -5.020 1.00 0.00 H new ATOM 0 HB3 LYS C 79 4.104 -2.591 -5.424 1.00 0.00 H new ATOM 0 HG2 LYS C 79 2.865 -3.699 -7.163 1.00 0.00 H new ATOM 0 HG3 LYS C 79 1.351 -2.993 -6.633 1.00 0.00 H new ATOM 0 HD2 LYS C 79 2.389 -0.698 -7.127 1.00 0.00 H new ATOM 0 HD3 LYS C 79 3.710 -1.554 -7.899 1.00 0.00 H new ATOM 0 HE2 LYS C 79 2.109 -0.918 -9.602 1.00 0.00 H new ATOM 0 HE3 LYS C 79 2.077 -2.662 -9.433 1.00 0.00 H new ATOM 0 HZ1 LYS C 79 -0.124 -1.333 -9.517 1.00 0.00 H new ATOM 0 HZ2 LYS C 79 0.023 -2.628 -8.428 1.00 0.00 H new ATOM 0 HZ3 LYS C 79 0.178 -1.031 -7.874 1.00 0.00 H new ATOM 1203 N THR C 80 0.775 -4.945 -5.140 1.00 0.00 N ATOM 1204 CA THR C 80 -0.603 -5.301 -5.436 1.00 0.00 C ATOM 1205 C THR C 80 -1.473 -5.346 -4.177 1.00 0.00 C ATOM 1206 O THR C 80 -2.559 -4.765 -4.136 1.00 0.00 O ATOM 1207 CB THR C 80 -0.653 -6.658 -6.154 1.00 0.00 C ATOM 1208 OG1 THR C 80 0.181 -7.600 -5.464 1.00 0.00 O ATOM 1209 CG2 THR C 80 -0.189 -6.523 -7.597 1.00 0.00 C ATOM 0 H THR C 80 1.464 -5.599 -5.511 1.00 0.00 H new ATOM 0 HA THR C 80 -1.007 -4.524 -6.085 1.00 0.00 H new ATOM 0 HB THR C 80 -1.684 -7.012 -6.154 1.00 0.00 H new ATOM 0 HG1 THR C 80 0.146 -8.465 -5.923 1.00 0.00 H new ATOM 0 HG21 THR C 80 -0.233 -7.496 -8.086 1.00 0.00 H new ATOM 0 HG22 THR C 80 -0.837 -5.823 -8.124 1.00 0.00 H new ATOM 0 HG23 THR C 80 0.836 -6.153 -7.616 1.00 0.00 H new ATOM 1217 N ALA C 81 -0.979 -6.010 -3.140 1.00 0.00 N ATOM 1218 CA ALA C 81 -1.737 -6.162 -1.904 1.00 0.00 C ATOM 1219 C ALA C 81 -1.723 -4.877 -1.080 1.00 0.00 C ATOM 1220 O ALA C 81 -2.729 -4.494 -0.478 1.00 0.00 O ATOM 1221 CB ALA C 81 -1.176 -7.312 -1.090 1.00 0.00 C ATOM 0 H ALA C 81 -0.059 -6.451 -3.129 1.00 0.00 H new ATOM 0 HA ALA C 81 -2.772 -6.378 -2.167 1.00 0.00 H new ATOM 0 HB1 ALA C 81 -1.748 -7.419 -0.168 1.00 0.00 H new ATOM 0 HB2 ALA C 81 -1.244 -8.234 -1.668 1.00 0.00 H new ATOM 0 HB3 ALA C 81 -0.132 -7.111 -0.848 1.00 0.00 H new ATOM 1227 N PHE C 82 -0.582 -4.206 -1.071 1.00 0.00 N ATOM 1228 CA PHE C 82 -0.403 -3.015 -0.254 1.00 0.00 C ATOM 1229 C PHE C 82 -1.157 -1.834 -0.867 1.00 0.00 C ATOM 1230 O PHE C 82 -1.792 -1.050 -0.171 1.00 0.00 O ATOM 1231 CB PHE C 82 1.087 -2.696 -0.131 1.00 0.00 C ATOM 1232 CG PHE C 82 1.507 -2.284 1.250 1.00 0.00 C ATOM 1233 CD1 PHE C 82 1.857 -3.240 2.188 1.00 0.00 C ATOM 1234 CD2 PHE C 82 1.560 -0.950 1.609 1.00 0.00 C ATOM 1235 CE1 PHE C 82 2.251 -2.872 3.459 1.00 0.00 C ATOM 1236 CE2 PHE C 82 1.953 -0.574 2.879 1.00 0.00 C ATOM 1237 CZ PHE C 82 2.300 -1.536 3.805 1.00 0.00 C ATOM 0 H PHE C 82 0.236 -4.466 -1.622 1.00 0.00 H new ATOM 0 HA PHE C 82 -0.808 -3.198 0.741 1.00 0.00 H new ATOM 0 HB2 PHE C 82 1.662 -3.572 -0.429 1.00 0.00 H new ATOM 0 HB3 PHE C 82 1.337 -1.898 -0.830 1.00 0.00 H new ATOM 0 HD1 PHE C 82 1.821 -4.286 1.922 1.00 0.00 H new ATOM 0 HD2 PHE C 82 1.291 -0.192 0.888 1.00 0.00 H new ATOM 0 HE1 PHE C 82 2.521 -3.628 4.182 1.00 0.00 H new ATOM 0 HE2 PHE C 82 1.989 0.472 3.147 1.00 0.00 H new ATOM 0 HZ PHE C 82 2.609 -1.245 4.798 1.00 0.00 H new ATOM 1247 N GLU C 83 -1.104 -1.744 -2.182 1.00 0.00 N ATOM 1248 CA GLU C 83 -1.787 -0.694 -2.929 1.00 0.00 C ATOM 1249 C GLU C 83 -3.300 -0.838 -2.777 1.00 0.00 C ATOM 1250 O GLU C 83 -4.040 0.144 -2.811 1.00 0.00 O ATOM 1251 CB GLU C 83 -1.370 -0.790 -4.404 1.00 0.00 C ATOM 1252 CG GLU C 83 -2.055 0.183 -5.344 1.00 0.00 C ATOM 1253 CD GLU C 83 -1.691 -0.086 -6.790 1.00 0.00 C ATOM 1254 OE1 GLU C 83 -2.474 -0.763 -7.485 1.00 0.00 O ATOM 1255 OE2 GLU C 83 -0.609 0.351 -7.232 1.00 0.00 O ATOM 0 H GLU C 83 -0.585 -2.397 -2.769 1.00 0.00 H new ATOM 0 HA GLU C 83 -1.507 0.285 -2.540 1.00 0.00 H new ATOM 0 HB2 GLU C 83 -0.293 -0.633 -4.469 1.00 0.00 H new ATOM 0 HB3 GLU C 83 -1.566 -1.804 -4.753 1.00 0.00 H new ATOM 0 HG2 GLU C 83 -3.135 0.109 -5.221 1.00 0.00 H new ATOM 0 HG3 GLU C 83 -1.773 1.203 -5.081 1.00 0.00 H new ATOM 1262 N ALA C 84 -3.735 -2.066 -2.522 1.00 0.00 N ATOM 1263 CA ALA C 84 -5.152 -2.408 -2.501 1.00 0.00 C ATOM 1264 C ALA C 84 -5.801 -1.952 -1.209 1.00 0.00 C ATOM 1265 O ALA C 84 -6.990 -1.640 -1.176 1.00 0.00 O ATOM 1266 CB ALA C 84 -5.335 -3.906 -2.680 1.00 0.00 C ATOM 0 H ALA C 84 -3.116 -2.852 -2.324 1.00 0.00 H new ATOM 0 HA ALA C 84 -5.638 -1.891 -3.328 1.00 0.00 H new ATOM 0 HB1 ALA C 84 -6.398 -4.147 -2.662 1.00 0.00 H new ATOM 0 HB2 ALA C 84 -4.909 -4.213 -3.635 1.00 0.00 H new ATOM 0 HB3 ALA C 84 -4.830 -4.434 -1.871 1.00 0.00 H new ATOM 1272 N ASN C 85 -5.019 -1.907 -0.144 1.00 0.00 N ATOM 1273 CA ASN C 85 -5.543 -1.515 1.150 1.00 0.00 C ATOM 1274 C ASN C 85 -5.292 -0.039 1.415 1.00 0.00 C ATOM 1275 O ASN C 85 -6.083 0.622 2.086 1.00 0.00 O ATOM 1276 CB ASN C 85 -4.916 -2.367 2.258 1.00 0.00 C ATOM 1277 CG ASN C 85 -5.433 -3.794 2.257 1.00 0.00 C ATOM 1278 OD1 ASN C 85 -6.403 -4.113 2.945 1.00 0.00 O ATOM 1279 ND2 ASN C 85 -4.794 -4.662 1.486 1.00 0.00 N ATOM 0 H ASN C 85 -4.025 -2.136 -0.151 1.00 0.00 H new ATOM 0 HA ASN C 85 -6.620 -1.681 1.144 1.00 0.00 H new ATOM 0 HB2 ASN C 85 -3.833 -2.376 2.136 1.00 0.00 H new ATOM 0 HB3 ASN C 85 -5.124 -1.909 3.225 1.00 0.00 H new ATOM 0 HD21 ASN C 85 -5.102 -5.634 1.448 1.00 0.00 H new ATOM 0 HD22 ASN C 85 -3.994 -4.358 0.931 1.00 0.00 H new ATOM 1286 N TYR C 86 -4.195 0.484 0.884 1.00 0.00 N ATOM 1287 CA TYR C 86 -3.786 1.844 1.222 1.00 0.00 C ATOM 1288 C TYR C 86 -4.231 2.877 0.189 1.00 0.00 C ATOM 1289 O TYR C 86 -5.120 3.688 0.453 1.00 0.00 O ATOM 1290 CB TYR C 86 -2.267 1.890 1.426 1.00 0.00 C ATOM 1291 CG TYR C 86 -1.821 1.028 2.583 1.00 0.00 C ATOM 1292 CD1 TYR C 86 -2.005 -0.337 2.533 1.00 0.00 C ATOM 1293 CD2 TYR C 86 -1.243 1.571 3.721 1.00 0.00 C ATOM 1294 CE1 TYR C 86 -1.638 -1.152 3.562 1.00 0.00 C ATOM 1295 CE2 TYR C 86 -0.860 0.760 4.775 1.00 0.00 C ATOM 1296 CZ TYR C 86 -1.062 -0.605 4.691 1.00 0.00 C ATOM 1297 OH TYR C 86 -0.688 -1.420 5.737 1.00 0.00 O ATOM 0 H TYR C 86 -3.581 -0.001 0.229 1.00 0.00 H new ATOM 0 HA TYR C 86 -4.288 2.114 2.151 1.00 0.00 H new ATOM 0 HB2 TYR C 86 -1.769 1.558 0.515 1.00 0.00 H new ATOM 0 HB3 TYR C 86 -1.957 2.920 1.602 1.00 0.00 H new ATOM 0 HD1 TYR C 86 -2.453 -0.774 1.653 1.00 0.00 H new ATOM 0 HD2 TYR C 86 -1.090 2.638 3.785 1.00 0.00 H new ATOM 0 HE1 TYR C 86 -1.797 -2.218 3.495 1.00 0.00 H new ATOM 0 HE2 TYR C 86 -0.407 1.190 5.656 1.00 0.00 H new ATOM 0 HH TYR C 86 0.239 -1.711 5.610 1.00 0.00 H new ATOM 1307 N THR C 87 -3.638 2.826 -0.988 1.00 0.00 N ATOM 1308 CA THR C 87 -3.832 3.867 -1.992 1.00 0.00 C ATOM 1309 C THR C 87 -5.082 3.651 -2.846 1.00 0.00 C ATOM 1310 O THR C 87 -5.584 4.595 -3.461 1.00 0.00 O ATOM 1311 CB THR C 87 -2.605 3.924 -2.915 1.00 0.00 C ATOM 1312 OG1 THR C 87 -2.510 2.715 -3.669 1.00 0.00 O ATOM 1313 CG2 THR C 87 -1.346 4.082 -2.095 1.00 0.00 C ATOM 0 H THR C 87 -3.014 2.073 -1.278 1.00 0.00 H new ATOM 0 HA THR C 87 -3.963 4.805 -1.452 1.00 0.00 H new ATOM 0 HB THR C 87 -2.716 4.775 -3.587 1.00 0.00 H new ATOM 0 HG1 THR C 87 -3.082 2.030 -3.263 1.00 0.00 H new ATOM 0 HG21 THR C 87 -0.482 4.121 -2.759 1.00 0.00 H new ATOM 0 HG22 THR C 87 -1.402 5.004 -1.517 1.00 0.00 H new ATOM 0 HG23 THR C 87 -1.245 3.234 -1.417 1.00 0.00 H new