USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 605 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: A 37 MET CE :methyl -112:sc= -0.159 (180deg=-2.27!) USER MOD Set 1.2: A 41 LYS NZ :NH3+ -123:sc= 0.768 (180deg=0) USER MOD Set 2.1: A 25 ASN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Set 2.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -1.26 F(o=-2.4!,f=-1.3) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0.784 K(o=0.78,f=-3.8!) USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0998) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -140:sc= 0.973 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -21:sc= 0.463 USER MOD Single : A 53 ASN : amide:sc= -0.0365 K(o=-0.037,f=-1.3!) USER MOD Single : A 54 SER OG : rot -60:sc= -0.239 USER MOD Single : A 65 ASN : amide:sc= -4.9 K(o=-4.9,f=-17!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0589) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 164:sc= -0.997 (180deg=-1.92) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.441 K(o=0.44,f=-0.98) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 157 N TYR A 14 -1.424 3.331 -0.889 1.00 0.00 N ATOM 158 CA TYR A 14 -2.308 2.623 -0.002 1.00 0.00 C ATOM 159 C TYR A 14 -2.778 1.378 -0.694 1.00 0.00 C ATOM 160 O TYR A 14 -2.718 1.291 -1.918 1.00 0.00 O ATOM 161 CB TYR A 14 -3.499 3.481 0.434 1.00 0.00 C ATOM 162 CG TYR A 14 -3.106 4.725 1.204 1.00 0.00 C ATOM 163 CD1 TYR A 14 -2.856 5.927 0.553 1.00 0.00 C ATOM 164 CD2 TYR A 14 -2.986 4.693 2.588 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.497 7.059 1.260 1.00 0.00 C ATOM 166 CE2 TYR A 14 -2.629 5.821 3.301 1.00 0.00 C ATOM 167 CZ TYR A 14 -2.385 7.000 2.634 1.00 0.00 C ATOM 168 OH TYR A 14 -2.032 8.129 3.343 1.00 0.00 O ATOM 0 HA TYR A 14 -1.762 2.368 0.906 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.066 3.775 -0.449 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.163 2.877 1.052 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.944 5.977 -0.522 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.175 3.770 3.116 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.305 7.986 0.739 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.542 5.778 4.377 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.999 7.918 4.299 1.00 0.00 H new ATOM 178 N ILE A 15 -3.233 0.429 0.066 1.00 0.00 N ATOM 179 CA ILE A 15 -3.666 -0.838 -0.465 1.00 0.00 C ATOM 180 C ILE A 15 -5.073 -1.135 0.032 1.00 0.00 C ATOM 181 O ILE A 15 -5.548 -0.519 0.992 1.00 0.00 O ATOM 182 CB ILE A 15 -2.735 -1.975 0.010 1.00 0.00 C ATOM 183 CG1 ILE A 15 -2.961 -2.236 1.491 1.00 0.00 C ATOM 184 CG2 ILE A 15 -1.286 -1.624 -0.258 1.00 0.00 C ATOM 185 CD1 ILE A 15 -2.124 -3.350 2.060 1.00 0.00 C ATOM 0 H ILE A 15 -3.317 0.507 1.080 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.643 -0.782 -1.553 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.969 -2.882 -0.547 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.752 -1.321 2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.013 -2.471 1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.645 -2.437 0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.140 -1.472 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.028 -0.710 0.277 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.348 -3.468 3.120 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.349 -4.279 1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.068 -3.111 1.937 1.00 0.00 H new ATOM 197 N LYS A 16 -5.742 -2.031 -0.619 1.00 0.00 N ATOM 198 CA LYS A 16 -7.054 -2.437 -0.183 1.00 0.00 C ATOM 199 C LYS A 16 -6.975 -3.704 0.624 1.00 0.00 C ATOM 200 O LYS A 16 -6.116 -4.546 0.395 1.00 0.00 O ATOM 201 CB LYS A 16 -7.979 -2.664 -1.357 1.00 0.00 C ATOM 202 CG LYS A 16 -8.298 -1.422 -2.150 1.00 0.00 C ATOM 203 CD LYS A 16 -9.362 -1.686 -3.207 1.00 0.00 C ATOM 204 CE LYS A 16 -8.862 -2.634 -4.279 1.00 0.00 C ATOM 205 NZ LYS A 16 -9.863 -2.842 -5.357 1.00 0.00 N ATOM 0 H LYS A 16 -5.406 -2.502 -1.459 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.452 -1.631 0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.527 -3.399 -2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.911 -3.096 -0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.642 -0.638 -1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.391 -1.054 -2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.249 -2.107 -2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.662 -0.744 -3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.943 -2.239 -4.711 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.614 -3.594 -3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.478 -3.497 -6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.732 -3.244 -4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.081 -1.931 -5.809 1.00 0.00 H new ATOM 219 N ILE A 17 -7.837 -3.810 1.576 1.00 0.00 N ATOM 220 CA ILE A 17 -7.966 -5.003 2.371 1.00 0.00 C ATOM 221 C ILE A 17 -9.400 -5.451 2.389 1.00 0.00 C ATOM 222 O ILE A 17 -10.302 -4.657 2.688 1.00 0.00 O ATOM 223 CB ILE A 17 -7.472 -4.795 3.821 1.00 0.00 C ATOM 224 CG1 ILE A 17 -5.969 -4.500 3.847 1.00 0.00 C ATOM 225 CG2 ILE A 17 -7.809 -5.992 4.693 1.00 0.00 C ATOM 226 CD1 ILE A 17 -5.104 -5.626 3.309 1.00 0.00 C ATOM 0 H ILE A 17 -8.485 -3.066 1.835 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.339 -5.768 1.914 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.993 -3.930 4.232 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.777 -3.599 3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.670 -4.286 4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.449 -5.816 5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.889 -6.136 4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.331 -6.884 4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.055 -5.336 3.363 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.264 -6.524 3.906 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.372 -5.827 2.272 1.00 0.00 H new ATOM 238 N LYS A 18 -9.633 -6.698 2.054 1.00 0.00 N ATOM 239 CA LYS A 18 -10.966 -7.208 2.101 1.00 0.00 C ATOM 240 C LYS A 18 -11.144 -7.925 3.415 1.00 0.00 C ATOM 241 O LYS A 18 -10.628 -9.027 3.609 1.00 0.00 O ATOM 242 CB LYS A 18 -11.258 -8.176 0.946 1.00 0.00 C ATOM 243 CG LYS A 18 -10.541 -7.858 -0.375 1.00 0.00 C ATOM 244 CD LYS A 18 -11.096 -8.702 -1.514 1.00 0.00 C ATOM 245 CE LYS A 18 -10.883 -10.184 -1.265 1.00 0.00 C ATOM 246 NZ LYS A 18 -11.377 -11.014 -2.390 1.00 0.00 N ATOM 0 H LYS A 18 -8.922 -7.364 1.751 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.662 -6.374 2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.979 -9.183 1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.333 -8.185 0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.658 -6.800 -0.611 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.472 -8.044 -0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.161 -8.501 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.613 -8.416 -2.448 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.821 -10.377 -1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.395 -10.475 -0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.212 -12.019 -2.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.396 -10.850 -2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.870 -10.756 -3.261 1.00 0.00 H new ATOM 260 N VAL A 19 -11.846 -7.295 4.315 1.00 0.00 N ATOM 261 CA VAL A 19 -12.096 -7.862 5.608 1.00 0.00 C ATOM 262 C VAL A 19 -13.253 -8.816 5.508 1.00 0.00 C ATOM 263 O VAL A 19 -14.357 -8.408 5.187 1.00 0.00 O ATOM 264 CB VAL A 19 -12.446 -6.755 6.622 1.00 0.00 C ATOM 265 CG1 VAL A 19 -12.798 -7.348 7.969 1.00 0.00 C ATOM 266 CG2 VAL A 19 -11.302 -5.755 6.748 1.00 0.00 C ATOM 0 H VAL A 19 -12.260 -6.374 4.172 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.200 -8.383 5.946 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.321 -6.221 6.252 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.041 -6.547 8.667 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.658 -8.009 7.862 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.949 -7.916 8.350 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.571 -4.983 7.469 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.404 -6.271 7.087 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.112 -5.295 5.778 1.00 0.00 H new ATOM 276 N VAL A 20 -13.007 -10.077 5.771 1.00 0.00 N ATOM 277 CA VAL A 20 -14.046 -11.066 5.668 1.00 0.00 C ATOM 278 C VAL A 20 -14.387 -11.627 7.028 1.00 0.00 C ATOM 279 O VAL A 20 -13.545 -12.242 7.695 1.00 0.00 O ATOM 280 CB VAL A 20 -13.631 -12.222 4.740 1.00 0.00 C ATOM 281 CG1 VAL A 20 -14.752 -13.237 4.610 1.00 0.00 C ATOM 282 CG2 VAL A 20 -13.215 -11.699 3.381 1.00 0.00 C ATOM 0 H VAL A 20 -12.097 -10.439 6.057 1.00 0.00 H new ATOM 0 HA VAL A 20 -14.920 -10.570 5.247 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.772 -12.723 5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -14.437 -14.045 3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -14.990 -13.644 5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -15.635 -12.752 4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -12.926 -12.534 2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.049 -11.166 2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.370 -11.020 3.495 1.00 0.00 H new ATOM 292 N GLY A 21 -15.613 -11.418 7.438 1.00 0.00 N ATOM 293 CA GLY A 21 -16.059 -11.946 8.697 1.00 0.00 C ATOM 294 C GLY A 21 -16.613 -13.345 8.543 1.00 0.00 C ATOM 295 O GLY A 21 -16.863 -13.796 7.425 1.00 0.00 O ATOM 0 H GLY A 21 -16.314 -10.889 6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -15.229 -11.957 9.403 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -16.825 -11.294 9.116 1.00 0.00 H new ATOM 299 N GLN A 22 -16.837 -14.019 9.655 1.00 0.00 N ATOM 300 CA GLN A 22 -17.339 -15.392 9.643 1.00 0.00 C ATOM 301 C GLN A 22 -18.758 -15.468 9.136 1.00 0.00 C ATOM 302 O GLN A 22 -19.196 -16.493 8.627 1.00 0.00 O ATOM 303 CB GLN A 22 -17.233 -16.022 11.016 1.00 0.00 C ATOM 304 CG GLN A 22 -15.811 -16.308 11.448 1.00 0.00 C ATOM 305 CD GLN A 22 -15.723 -16.887 12.839 1.00 0.00 C ATOM 306 OE1 GLN A 22 -14.619 -16.634 13.505 1.00 0.00 O flip ATOM 307 NE2 GLN A 22 -16.633 -17.571 13.305 1.00 0.00 N flip ATOM 0 H GLN A 22 -16.680 -13.640 10.589 1.00 0.00 H new ATOM 0 HA GLN A 22 -16.711 -15.955 8.953 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -17.699 -15.360 11.746 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -17.799 -16.953 11.023 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.355 -17.002 10.742 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.232 -15.385 11.407 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -17.474 -17.744 12.755 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -16.546 -17.965 14.242 1.00 0.00 H new ATOM 316 N ASP A 23 -19.455 -14.375 9.254 1.00 0.00 N ATOM 317 CA ASP A 23 -20.822 -14.267 8.779 1.00 0.00 C ATOM 318 C ASP A 23 -20.837 -14.042 7.282 1.00 0.00 C ATOM 319 O ASP A 23 -21.868 -13.714 6.708 1.00 0.00 O ATOM 320 CB ASP A 23 -21.528 -13.116 9.484 1.00 0.00 C ATOM 321 CG ASP A 23 -21.630 -13.335 10.969 1.00 0.00 C ATOM 322 OD1 ASP A 23 -22.680 -13.818 11.429 1.00 0.00 O ATOM 323 OD2 ASP A 23 -20.651 -13.048 11.684 1.00 0.00 O ATOM 0 H ASP A 23 -19.097 -13.522 9.684 1.00 0.00 H new ATOM 0 HA ASP A 23 -21.347 -15.196 9.001 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -20.988 -12.189 9.292 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -22.528 -12.995 9.067 1.00 0.00 H new ATOM 328 N SER A 24 -19.662 -14.220 6.662 1.00 0.00 N ATOM 329 CA SER A 24 -19.477 -14.025 5.225 1.00 0.00 C ATOM 330 C SER A 24 -19.599 -12.555 4.887 1.00 0.00 C ATOM 331 O SER A 24 -19.951 -12.178 3.769 1.00 0.00 O ATOM 332 CB SER A 24 -20.498 -14.851 4.428 1.00 0.00 C ATOM 333 OG SER A 24 -20.436 -16.224 4.790 1.00 0.00 O ATOM 0 H SER A 24 -18.812 -14.505 7.149 1.00 0.00 H new ATOM 0 HA SER A 24 -18.480 -14.368 4.950 1.00 0.00 H new ATOM 0 HB2 SER A 24 -21.502 -14.468 4.610 1.00 0.00 H new ATOM 0 HB3 SER A 24 -20.304 -14.743 3.361 1.00 0.00 H new ATOM 0 HG SER A 24 -21.096 -16.729 4.271 1.00 0.00 H new ATOM 339 N ASN A 25 -19.280 -11.726 5.861 1.00 0.00 N ATOM 340 CA ASN A 25 -19.356 -10.289 5.680 1.00 0.00 C ATOM 341 C ASN A 25 -18.012 -9.728 5.297 1.00 0.00 C ATOM 342 O ASN A 25 -17.111 -9.629 6.123 1.00 0.00 O ATOM 343 CB ASN A 25 -19.892 -9.597 6.936 1.00 0.00 C ATOM 344 CG ASN A 25 -19.960 -8.080 6.791 1.00 0.00 C ATOM 345 OD1 ASN A 25 -19.047 -7.359 7.197 1.00 0.00 O ATOM 346 ND2 ASN A 25 -21.033 -7.591 6.200 1.00 0.00 N ATOM 0 H ASN A 25 -18.966 -12.022 6.785 1.00 0.00 H new ATOM 0 HA ASN A 25 -20.056 -10.093 4.867 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -20.887 -9.981 7.160 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.255 -9.848 7.784 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -21.127 -6.584 6.066 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.768 -8.220 5.877 1.00 0.00 H new ATOM 353 N GLU A 26 -17.876 -9.397 4.043 1.00 0.00 N ATOM 354 CA GLU A 26 -16.656 -8.822 3.532 1.00 0.00 C ATOM 355 C GLU A 26 -16.827 -7.332 3.286 1.00 0.00 C ATOM 356 O GLU A 26 -17.847 -6.883 2.747 1.00 0.00 O ATOM 357 CB GLU A 26 -16.196 -9.527 2.250 1.00 0.00 C ATOM 358 CG GLU A 26 -14.918 -8.946 1.655 1.00 0.00 C ATOM 359 CD GLU A 26 -14.488 -9.637 0.383 1.00 0.00 C ATOM 360 OE1 GLU A 26 -14.442 -8.965 -0.675 1.00 0.00 O ATOM 361 OE2 GLU A 26 -14.194 -10.848 0.424 1.00 0.00 O ATOM 0 H GLU A 26 -18.608 -9.517 3.343 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.883 -8.965 4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.039 -10.584 2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -16.992 -9.467 1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.068 -7.886 1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.116 -9.019 2.390 1.00 0.00 H new ATOM 368 N VAL A 27 -15.844 -6.576 3.703 1.00 0.00 N ATOM 369 CA VAL A 27 -15.839 -5.147 3.527 1.00 0.00 C ATOM 370 C VAL A 27 -14.459 -4.697 3.086 1.00 0.00 C ATOM 371 O VAL A 27 -13.445 -5.220 3.550 1.00 0.00 O ATOM 372 CB VAL A 27 -16.281 -4.410 4.819 1.00 0.00 C ATOM 373 CG1 VAL A 27 -15.376 -4.763 5.979 1.00 0.00 C ATOM 374 CG2 VAL A 27 -16.321 -2.902 4.604 1.00 0.00 C ATOM 0 H VAL A 27 -15.017 -6.938 4.178 1.00 0.00 H new ATOM 0 HA VAL A 27 -16.563 -4.890 2.754 1.00 0.00 H new ATOM 0 HB VAL A 27 -17.290 -4.741 5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.707 -4.234 6.873 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -15.416 -5.837 6.158 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.352 -4.472 5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.634 -2.411 5.526 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -15.329 -2.548 4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -17.029 -2.666 3.809 1.00 0.00 H new ATOM 384 N HIS A 28 -14.422 -3.761 2.178 1.00 0.00 N ATOM 385 CA HIS A 28 -13.177 -3.306 1.617 1.00 0.00 C ATOM 386 C HIS A 28 -12.718 -2.025 2.275 1.00 0.00 C ATOM 387 O HIS A 28 -13.350 -0.975 2.143 1.00 0.00 O ATOM 388 CB HIS A 28 -13.325 -3.098 0.111 1.00 0.00 C ATOM 389 CG HIS A 28 -13.642 -4.352 -0.651 1.00 0.00 C ATOM 390 ND1 HIS A 28 -14.231 -4.351 -1.895 1.00 0.00 N ATOM 391 CD2 HIS A 28 -13.444 -5.652 -0.337 1.00 0.00 C ATOM 392 CE1 HIS A 28 -14.381 -5.598 -2.310 1.00 0.00 C ATOM 393 NE2 HIS A 28 -13.911 -6.404 -1.382 1.00 0.00 N ATOM 0 H HIS A 28 -15.249 -3.293 1.807 1.00 0.00 H new ATOM 0 HA HIS A 28 -12.423 -4.071 1.801 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -14.113 -2.367 -0.069 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -12.401 -2.672 -0.279 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -12.999 -6.029 0.572 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.815 -5.903 -3.251 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -13.897 -7.423 -1.433 1.00 0.00 H new ATOM 401 N PHE A 29 -11.628 -2.118 2.989 1.00 0.00 N ATOM 402 CA PHE A 29 -11.023 -0.964 3.618 1.00 0.00 C ATOM 403 C PHE A 29 -9.717 -0.620 2.955 1.00 0.00 C ATOM 404 O PHE A 29 -8.991 -1.501 2.498 1.00 0.00 O ATOM 405 CB PHE A 29 -10.801 -1.187 5.110 1.00 0.00 C ATOM 406 CG PHE A 29 -12.050 -1.120 5.938 1.00 0.00 C ATOM 407 CD1 PHE A 29 -12.589 -2.254 6.516 1.00 0.00 C ATOM 408 CD2 PHE A 29 -12.683 0.095 6.140 1.00 0.00 C ATOM 409 CE1 PHE A 29 -13.733 -2.175 7.280 1.00 0.00 C ATOM 410 CE2 PHE A 29 -13.829 0.177 6.901 1.00 0.00 C ATOM 411 CZ PHE A 29 -14.354 -0.960 7.471 1.00 0.00 C ATOM 0 H PHE A 29 -11.131 -2.993 3.154 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.716 -0.131 3.498 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.336 -2.162 5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -10.096 -0.440 5.476 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.109 -3.210 6.368 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.273 0.990 5.695 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -14.144 -3.067 7.730 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -14.314 1.131 7.050 1.00 0.00 H new ATOM 0 HZ PHE A 29 -15.252 -0.900 8.068 1.00 0.00 H new ATOM 421 N ARG A 30 -9.424 0.657 2.886 1.00 0.00 N ATOM 422 CA ARG A 30 -8.186 1.102 2.308 1.00 0.00 C ATOM 423 C ARG A 30 -7.211 1.415 3.425 1.00 0.00 C ATOM 424 O ARG A 30 -7.457 2.298 4.253 1.00 0.00 O ATOM 425 CB ARG A 30 -8.389 2.344 1.445 1.00 0.00 C ATOM 426 CG ARG A 30 -7.199 2.654 0.549 1.00 0.00 C ATOM 427 CD ARG A 30 -7.240 1.799 -0.709 1.00 0.00 C ATOM 428 NE ARG A 30 -6.047 1.942 -1.544 1.00 0.00 N ATOM 429 CZ ARG A 30 -6.004 1.631 -2.848 1.00 0.00 C ATOM 430 NH1 ARG A 30 -7.116 1.334 -3.500 1.00 0.00 N ATOM 431 NH2 ARG A 30 -4.856 1.648 -3.501 1.00 0.00 N ATOM 0 H ARG A 30 -10.030 1.405 3.225 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.795 0.310 1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.276 2.207 0.826 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.581 3.200 2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.206 3.710 0.278 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.271 2.470 1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.353 0.753 -0.425 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.119 2.068 -1.294 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.197 2.300 -1.108 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.011 1.341 -3.011 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.078 1.098 -4.492 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.996 1.899 -3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.830 1.410 -4.493 1.00 0.00 H new ATOM 445 N VAL A 31 -6.130 0.700 3.446 1.00 0.00 N ATOM 446 CA VAL A 31 -5.109 0.855 4.461 1.00 0.00 C ATOM 447 C VAL A 31 -3.760 0.899 3.789 1.00 0.00 C ATOM 448 O VAL A 31 -3.651 0.625 2.615 1.00 0.00 O ATOM 449 CB VAL A 31 -5.126 -0.299 5.489 1.00 0.00 C ATOM 450 CG1 VAL A 31 -6.466 -0.373 6.211 1.00 0.00 C ATOM 451 CG2 VAL A 31 -4.798 -1.617 4.825 1.00 0.00 C ATOM 0 H VAL A 31 -5.919 -0.020 2.755 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.309 1.780 5.001 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.357 -0.094 6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.448 -1.194 6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.648 0.564 6.737 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.261 -0.542 5.485 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.816 -2.414 5.569 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.535 -1.827 4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.806 -1.562 4.377 1.00 0.00 H new ATOM 461 N LYS A 32 -2.759 1.272 4.502 1.00 0.00 N ATOM 462 CA LYS A 32 -1.441 1.326 3.943 1.00 0.00 C ATOM 463 C LYS A 32 -0.748 -0.016 4.165 1.00 0.00 C ATOM 464 O LYS A 32 -1.190 -0.806 4.996 1.00 0.00 O ATOM 465 CB LYS A 32 -0.647 2.455 4.586 1.00 0.00 C ATOM 466 CG LYS A 32 0.485 2.975 3.719 1.00 0.00 C ATOM 467 CD LYS A 32 1.198 4.136 4.378 1.00 0.00 C ATOM 468 CE LYS A 32 2.179 4.796 3.428 1.00 0.00 C ATOM 469 NZ LYS A 32 3.223 3.855 2.990 1.00 0.00 N ATOM 0 H LYS A 32 -2.820 1.548 5.482 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.503 1.522 2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.324 3.278 4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.236 2.105 5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.196 2.172 3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.090 3.290 2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.466 4.870 4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.728 3.784 5.263 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.644 5.178 2.558 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.642 5.652 3.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.967 4.374 2.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.635 3.383 3.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.805 3.143 2.358 1.00 0.00 H new ATOM 483 N TYR A 33 0.325 -0.271 3.426 1.00 0.00 N ATOM 484 CA TYR A 33 1.109 -1.501 3.613 1.00 0.00 C ATOM 485 C TYR A 33 1.549 -1.612 5.078 1.00 0.00 C ATOM 486 O TYR A 33 1.535 -2.691 5.662 1.00 0.00 O ATOM 487 CB TYR A 33 2.387 -1.459 2.764 1.00 0.00 C ATOM 488 CG TYR A 33 2.193 -1.371 1.266 1.00 0.00 C ATOM 489 CD1 TYR A 33 2.065 -0.138 0.639 1.00 0.00 C ATOM 490 CD2 TYR A 33 2.183 -2.514 0.476 1.00 0.00 C ATOM 491 CE1 TYR A 33 1.928 -0.044 -0.731 1.00 0.00 C ATOM 492 CE2 TYR A 33 2.041 -2.428 -0.897 1.00 0.00 C ATOM 493 CZ TYR A 33 1.915 -1.190 -1.495 1.00 0.00 C ATOM 494 OH TYR A 33 1.780 -1.097 -2.863 1.00 0.00 O ATOM 0 H TYR A 33 0.676 0.348 2.695 1.00 0.00 H new ATOM 0 HA TYR A 33 0.484 -2.345 3.320 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.982 -0.603 3.083 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.972 -2.353 2.982 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.073 0.763 1.234 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.288 -3.483 0.941 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.831 0.923 -1.202 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.029 -3.325 -1.498 1.00 0.00 H new ATOM 0 HH TYR A 33 1.791 -1.995 -3.255 1.00 0.00 H new ATOM 504 N GLY A 34 1.919 -0.471 5.659 1.00 0.00 N ATOM 505 CA GLY A 34 2.414 -0.437 7.015 1.00 0.00 C ATOM 506 C GLY A 34 1.352 -0.090 8.031 1.00 0.00 C ATOM 507 O GLY A 34 1.667 0.344 9.140 1.00 0.00 O ATOM 0 H GLY A 34 1.881 0.440 5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.840 -1.409 7.263 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.222 0.292 7.081 1.00 0.00 H new ATOM 511 N THR A 35 0.097 -0.249 7.656 1.00 0.00 N ATOM 512 CA THR A 35 -0.988 0.030 8.542 1.00 0.00 C ATOM 513 C THR A 35 -1.035 -0.964 9.716 1.00 0.00 C ATOM 514 O THR A 35 -0.854 -2.172 9.537 1.00 0.00 O ATOM 515 CB THR A 35 -2.321 0.061 7.774 1.00 0.00 C ATOM 516 OG1 THR A 35 -2.517 1.357 7.189 1.00 0.00 O ATOM 517 CG2 THR A 35 -3.486 -0.305 8.659 1.00 0.00 C ATOM 0 H THR A 35 -0.185 -0.574 6.731 1.00 0.00 H new ATOM 0 HA THR A 35 -0.823 1.018 8.971 1.00 0.00 H new ATOM 0 HB THR A 35 -2.271 -0.686 6.982 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.458 1.616 7.275 1.00 0.00 H new ATOM 0 HG21 THR A 35 -4.408 -0.271 8.079 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.342 -1.311 9.053 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.551 0.402 9.486 1.00 0.00 H new ATOM 525 N SER A 36 -1.268 -0.433 10.908 1.00 0.00 N ATOM 526 CA SER A 36 -1.301 -1.232 12.115 1.00 0.00 C ATOM 527 C SER A 36 -2.696 -1.816 12.332 1.00 0.00 C ATOM 528 O SER A 36 -3.685 -1.220 11.902 1.00 0.00 O ATOM 529 CB SER A 36 -0.888 -0.373 13.306 1.00 0.00 C ATOM 530 OG SER A 36 0.407 0.174 13.106 1.00 0.00 O ATOM 0 H SER A 36 -1.438 0.561 11.061 1.00 0.00 H new ATOM 0 HA SER A 36 -0.600 -2.061 12.014 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.610 0.431 13.448 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.898 -0.974 14.215 1.00 0.00 H new ATOM 0 HG SER A 36 0.653 0.723 13.880 1.00 0.00 H new ATOM 536 N MET A 37 -2.775 -2.982 13.009 1.00 0.00 N ATOM 537 CA MET A 37 -4.069 -3.650 13.263 1.00 0.00 C ATOM 538 C MET A 37 -5.115 -2.696 13.856 1.00 0.00 C ATOM 539 O MET A 37 -6.304 -2.829 13.583 1.00 0.00 O ATOM 540 CB MET A 37 -3.906 -4.857 14.200 1.00 0.00 C ATOM 541 CG MET A 37 -3.588 -4.498 15.645 1.00 0.00 C ATOM 542 SD MET A 37 -3.579 -5.940 16.731 1.00 0.00 S ATOM 543 CE MET A 37 -3.288 -5.177 18.331 1.00 0.00 C ATOM 0 H MET A 37 -1.966 -3.476 13.386 1.00 0.00 H new ATOM 0 HA MET A 37 -4.423 -3.990 12.290 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.824 -5.444 14.179 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.111 -5.495 13.814 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.615 -4.009 15.688 1.00 0.00 H new ATOM 0 HG3 MET A 37 -4.323 -3.779 16.007 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.300 -5.459 18.694 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.342 -4.093 18.232 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.045 -5.515 19.038 1.00 0.00 H new ATOM 553 N ALA A 38 -4.665 -1.732 14.641 1.00 0.00 N ATOM 554 CA ALA A 38 -5.565 -0.785 15.292 1.00 0.00 C ATOM 555 C ALA A 38 -6.373 0.032 14.288 1.00 0.00 C ATOM 556 O ALA A 38 -7.543 0.322 14.529 1.00 0.00 O ATOM 557 CB ALA A 38 -4.807 0.123 16.231 1.00 0.00 C ATOM 0 H ALA A 38 -3.677 -1.581 14.846 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.275 -1.373 15.873 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.501 0.819 16.703 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.315 -0.475 16.998 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.057 0.682 15.671 1.00 0.00 H new ATOM 563 N LYS A 39 -5.755 0.376 13.155 1.00 0.00 N ATOM 564 CA LYS A 39 -6.413 1.206 12.136 1.00 0.00 C ATOM 565 C LYS A 39 -7.681 0.521 11.640 1.00 0.00 C ATOM 566 O LYS A 39 -8.711 1.156 11.454 1.00 0.00 O ATOM 567 CB LYS A 39 -5.479 1.411 10.927 1.00 0.00 C ATOM 568 CG LYS A 39 -4.216 2.227 11.196 1.00 0.00 C ATOM 569 CD LYS A 39 -4.526 3.691 11.425 1.00 0.00 C ATOM 570 CE LYS A 39 -3.250 4.506 11.563 1.00 0.00 C ATOM 571 NZ LYS A 39 -3.530 5.953 11.729 1.00 0.00 N ATOM 0 H LYS A 39 -4.803 0.095 12.918 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.655 2.167 12.590 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.183 0.432 10.550 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.044 1.901 10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.703 1.824 12.069 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.534 2.128 10.352 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.118 4.075 10.594 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.131 3.801 12.325 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.681 4.146 12.420 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.627 4.356 10.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.633 6.472 11.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.051 6.303 10.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.103 6.100 12.585 1.00 0.00 H new ATOM 585 N LEU A 40 -7.592 -0.783 11.454 1.00 0.00 N ATOM 586 CA LEU A 40 -8.705 -1.561 10.937 1.00 0.00 C ATOM 587 C LEU A 40 -9.651 -2.026 12.034 1.00 0.00 C ATOM 588 O LEU A 40 -10.863 -1.949 11.884 1.00 0.00 O ATOM 589 CB LEU A 40 -8.218 -2.763 10.100 1.00 0.00 C ATOM 590 CG LEU A 40 -6.988 -3.530 10.625 1.00 0.00 C ATOM 591 CD1 LEU A 40 -7.030 -4.964 10.143 1.00 0.00 C ATOM 592 CD2 LEU A 40 -5.709 -2.875 10.125 1.00 0.00 C ATOM 0 H LEU A 40 -6.755 -1.330 11.655 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.266 -0.891 10.285 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.044 -3.469 10.009 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.991 -2.406 9.095 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.005 -3.508 11.715 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.158 -5.500 10.518 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.937 -5.445 10.510 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.026 -4.982 9.053 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.847 -3.425 10.502 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.697 -2.885 9.035 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.665 -1.845 10.479 1.00 0.00 H new ATOM 604 N LYS A 41 -9.094 -2.508 13.129 1.00 0.00 N ATOM 605 CA LYS A 41 -9.888 -3.043 14.231 1.00 0.00 C ATOM 606 C LYS A 41 -10.762 -2.001 14.843 1.00 0.00 C ATOM 607 O LYS A 41 -11.943 -2.230 15.051 1.00 0.00 O ATOM 608 CB LYS A 41 -8.967 -3.605 15.285 1.00 0.00 C ATOM 609 CG LYS A 41 -8.245 -4.852 14.850 1.00 0.00 C ATOM 610 CD LYS A 41 -7.154 -5.208 15.816 1.00 0.00 C ATOM 611 CE LYS A 41 -7.717 -5.609 17.178 1.00 0.00 C ATOM 612 NZ LYS A 41 -6.657 -6.006 18.137 1.00 0.00 N ATOM 0 H LYS A 41 -8.086 -2.542 13.284 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.531 -3.826 13.830 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.233 -2.846 15.557 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.546 -3.824 16.182 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.952 -5.678 14.775 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.821 -4.703 13.857 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.562 -6.029 15.411 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.482 -4.358 15.935 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.284 -4.776 17.593 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.415 -6.437 17.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.842 -6.971 18.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.732 -5.978 17.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.653 -5.348 18.942 1.00 0.00 H new ATOM 626 N LYS A 42 -10.196 -0.850 15.114 1.00 0.00 N ATOM 627 CA LYS A 42 -10.968 0.235 15.668 1.00 0.00 C ATOM 628 C LYS A 42 -12.023 0.662 14.675 1.00 0.00 C ATOM 629 O LYS A 42 -13.162 0.925 15.036 1.00 0.00 O ATOM 630 CB LYS A 42 -10.073 1.413 16.065 1.00 0.00 C ATOM 631 CG LYS A 42 -10.832 2.556 16.722 1.00 0.00 C ATOM 632 CD LYS A 42 -9.893 3.609 17.286 1.00 0.00 C ATOM 633 CE LYS A 42 -9.128 4.333 16.192 1.00 0.00 C ATOM 634 NZ LYS A 42 -8.273 5.408 16.748 1.00 0.00 N ATOM 0 H LYS A 42 -9.209 -0.641 14.961 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.458 -0.113 16.578 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.302 1.059 16.749 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.564 1.788 15.177 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.498 3.017 15.992 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.459 2.163 17.522 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.466 4.332 17.867 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.188 3.137 17.970 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.510 3.620 15.646 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.831 4.759 15.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.765 5.882 15.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.867 6.100 17.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.587 4.997 17.413 1.00 0.00 H new ATOM 648 N SER A 43 -11.633 0.703 13.414 1.00 0.00 N ATOM 649 CA SER A 43 -12.530 1.112 12.350 1.00 0.00 C ATOM 650 C SER A 43 -13.709 0.133 12.215 1.00 0.00 C ATOM 651 O SER A 43 -14.874 0.543 12.157 1.00 0.00 O ATOM 652 CB SER A 43 -11.757 1.210 11.023 1.00 0.00 C ATOM 653 OG SER A 43 -12.597 1.620 9.952 1.00 0.00 O ATOM 0 H SER A 43 -10.694 0.456 13.101 1.00 0.00 H new ATOM 0 HA SER A 43 -12.936 2.092 12.598 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.936 1.918 11.132 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.314 0.242 10.788 1.00 0.00 H new ATOM 0 HG SER A 43 -12.072 1.672 9.126 1.00 0.00 H new ATOM 659 N TYR A 44 -13.399 -1.152 12.169 1.00 0.00 N ATOM 660 CA TYR A 44 -14.412 -2.178 12.024 1.00 0.00 C ATOM 661 C TYR A 44 -15.256 -2.316 13.270 1.00 0.00 C ATOM 662 O TYR A 44 -16.473 -2.409 13.190 1.00 0.00 O ATOM 663 CB TYR A 44 -13.771 -3.501 11.696 1.00 0.00 C ATOM 664 CG TYR A 44 -14.765 -4.562 11.307 1.00 0.00 C ATOM 665 CD1 TYR A 44 -15.079 -4.787 9.976 1.00 0.00 C ATOM 666 CD2 TYR A 44 -15.404 -5.322 12.271 1.00 0.00 C ATOM 667 CE1 TYR A 44 -16.005 -5.741 9.616 1.00 0.00 C ATOM 668 CE2 TYR A 44 -16.328 -6.282 11.924 1.00 0.00 C ATOM 669 CZ TYR A 44 -16.628 -6.489 10.591 1.00 0.00 C ATOM 670 OH TYR A 44 -17.556 -7.437 10.233 1.00 0.00 O ATOM 0 H TYR A 44 -12.445 -1.509 12.231 1.00 0.00 H new ATOM 0 HA TYR A 44 -15.067 -1.875 11.207 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -13.061 -3.361 10.881 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -13.201 -3.845 12.559 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -14.590 -4.205 9.209 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -15.174 -5.159 13.314 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -16.242 -5.902 8.575 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -16.815 -6.869 12.688 1.00 0.00 H new ATOM 0 HH TYR A 44 -17.901 -7.877 11.038 1.00 0.00 H new ATOM 680 N ALA A 45 -14.615 -2.329 14.415 1.00 0.00 N ATOM 681 CA ALA A 45 -15.330 -2.443 15.671 1.00 0.00 C ATOM 682 C ALA A 45 -16.295 -1.289 15.818 1.00 0.00 C ATOM 683 O ALA A 45 -17.378 -1.433 16.374 1.00 0.00 O ATOM 684 CB ALA A 45 -14.376 -2.489 16.848 1.00 0.00 C ATOM 0 H ALA A 45 -13.601 -2.262 14.506 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.888 -3.379 15.662 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -14.945 -2.575 17.774 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.715 -3.350 16.747 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.781 -1.576 16.870 1.00 0.00 H new ATOM 690 N ASP A 46 -15.887 -0.147 15.312 1.00 0.00 N ATOM 691 CA ASP A 46 -16.707 1.060 15.386 1.00 0.00 C ATOM 692 C ASP A 46 -17.977 0.928 14.553 1.00 0.00 C ATOM 693 O ASP A 46 -19.064 1.253 15.017 1.00 0.00 O ATOM 694 CB ASP A 46 -15.926 2.280 14.932 1.00 0.00 C ATOM 695 CG ASP A 46 -16.732 3.552 15.065 1.00 0.00 C ATOM 696 OD1 ASP A 46 -16.949 4.007 16.209 1.00 0.00 O ATOM 697 OD2 ASP A 46 -17.153 4.102 14.032 1.00 0.00 O ATOM 0 H ASP A 46 -14.991 -0.020 14.842 1.00 0.00 H new ATOM 0 HA ASP A 46 -16.990 1.187 16.431 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.013 2.366 15.522 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.623 2.150 13.893 1.00 0.00 H new ATOM 702 N ARG A 47 -17.831 0.429 13.323 1.00 0.00 N ATOM 703 CA ARG A 47 -18.974 0.287 12.413 1.00 0.00 C ATOM 704 C ARG A 47 -19.967 -0.733 12.945 1.00 0.00 C ATOM 705 O ARG A 47 -21.162 -0.646 12.679 1.00 0.00 O ATOM 706 CB ARG A 47 -18.513 -0.120 11.004 1.00 0.00 C ATOM 707 CG ARG A 47 -17.985 -1.542 10.914 1.00 0.00 C ATOM 708 CD ARG A 47 -17.474 -1.883 9.531 1.00 0.00 C ATOM 709 NE ARG A 47 -18.542 -1.937 8.535 1.00 0.00 N ATOM 710 CZ ARG A 47 -18.698 -1.056 7.542 1.00 0.00 C ATOM 711 NH1 ARG A 47 -17.880 -0.011 7.429 1.00 0.00 N ATOM 712 NH2 ARG A 47 -19.680 -1.216 6.669 1.00 0.00 N ATOM 0 H ARG A 47 -16.940 0.118 12.935 1.00 0.00 H new ATOM 0 HA ARG A 47 -19.466 1.258 12.351 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.349 -0.009 10.313 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -17.734 0.568 10.675 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.181 -1.674 11.638 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.778 -2.239 11.187 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -16.736 -1.141 9.227 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -16.963 -2.845 9.563 1.00 0.00 H new ATOM 0 HE ARG A 47 -19.215 -2.700 8.602 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.127 0.122 8.104 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -18.007 0.656 6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -20.315 -2.010 6.755 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -19.802 -0.546 5.910 1.00 0.00 H new ATOM 726 N THR A 48 -19.466 -1.696 13.698 1.00 0.00 N ATOM 727 CA THR A 48 -20.313 -2.717 14.266 1.00 0.00 C ATOM 728 C THR A 48 -20.761 -2.326 15.677 1.00 0.00 C ATOM 729 O THR A 48 -21.575 -3.014 16.294 1.00 0.00 O ATOM 730 CB THR A 48 -19.626 -4.116 14.260 1.00 0.00 C ATOM 731 OG1 THR A 48 -20.503 -5.108 14.814 1.00 0.00 O ATOM 732 CG2 THR A 48 -18.327 -4.097 15.034 1.00 0.00 C ATOM 0 H THR A 48 -18.476 -1.788 13.927 1.00 0.00 H new ATOM 0 HA THR A 48 -21.198 -2.796 13.635 1.00 0.00 H new ATOM 0 HB THR A 48 -19.404 -4.368 13.223 1.00 0.00 H new ATOM 0 HG1 THR A 48 -21.186 -4.670 15.365 1.00 0.00 H new ATOM 0 HG21 THR A 48 -17.874 -5.088 15.010 1.00 0.00 H new ATOM 0 HG22 THR A 48 -17.645 -3.376 14.583 1.00 0.00 H new ATOM 0 HG23 THR A 48 -18.524 -3.813 16.068 1.00 0.00 H new ATOM 740 N GLY A 49 -20.218 -1.214 16.177 1.00 0.00 N ATOM 741 CA GLY A 49 -20.596 -0.715 17.486 1.00 0.00 C ATOM 742 C GLY A 49 -20.166 -1.621 18.618 1.00 0.00 C ATOM 743 O GLY A 49 -20.872 -1.743 19.619 1.00 0.00 O ATOM 0 H GLY A 49 -19.520 -0.650 15.693 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -20.156 0.272 17.632 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -21.678 -0.590 17.521 1.00 0.00 H new ATOM 747 N VAL A 50 -19.019 -2.248 18.476 1.00 0.00 N ATOM 748 CA VAL A 50 -18.552 -3.176 19.481 1.00 0.00 C ATOM 749 C VAL A 50 -17.194 -2.747 20.032 1.00 0.00 C ATOM 750 O VAL A 50 -16.538 -1.867 19.464 1.00 0.00 O ATOM 751 CB VAL A 50 -18.462 -4.609 18.909 1.00 0.00 C ATOM 752 CG1 VAL A 50 -17.144 -4.855 18.179 1.00 0.00 C ATOM 753 CG2 VAL A 50 -18.703 -5.630 19.995 1.00 0.00 C ATOM 0 H VAL A 50 -18.395 -2.133 17.677 1.00 0.00 H new ATOM 0 HA VAL A 50 -19.275 -3.171 20.297 1.00 0.00 H new ATOM 0 HB VAL A 50 -19.250 -4.719 18.163 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -17.126 -5.875 17.794 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -17.050 -4.153 17.351 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -16.313 -4.713 18.870 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -18.636 -6.633 19.573 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -17.952 -5.514 20.777 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -19.695 -5.481 20.420 1.00 0.00 H new ATOM 763 N ALA A 51 -16.794 -3.352 21.153 1.00 0.00 N ATOM 764 CA ALA A 51 -15.514 -3.056 21.778 1.00 0.00 C ATOM 765 C ALA A 51 -14.373 -3.305 20.801 1.00 0.00 C ATOM 766 O ALA A 51 -14.274 -4.384 20.206 1.00 0.00 O ATOM 767 CB ALA A 51 -15.338 -3.905 23.032 1.00 0.00 C ATOM 0 H ALA A 51 -17.347 -4.054 21.645 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.497 -2.004 22.061 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -14.377 -3.677 23.494 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -16.140 -3.685 23.736 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -15.370 -4.961 22.764 1.00 0.00 H new ATOM 773 N VAL A 52 -13.514 -2.310 20.662 1.00 0.00 N ATOM 774 CA VAL A 52 -12.402 -2.354 19.725 1.00 0.00 C ATOM 775 C VAL A 52 -11.446 -3.488 20.046 1.00 0.00 C ATOM 776 O VAL A 52 -11.054 -4.251 19.163 1.00 0.00 O ATOM 777 CB VAL A 52 -11.622 -1.016 19.735 1.00 0.00 C ATOM 778 CG1 VAL A 52 -10.345 -1.114 18.909 1.00 0.00 C ATOM 779 CG2 VAL A 52 -12.502 0.121 19.237 1.00 0.00 C ATOM 0 H VAL A 52 -13.568 -1.444 21.198 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.826 -2.523 18.735 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.335 -0.803 20.765 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.820 -0.159 18.936 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.703 -1.892 19.322 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.597 -1.361 17.878 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -11.936 1.052 19.252 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.827 -0.090 18.218 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -13.374 0.216 19.884 1.00 0.00 H new ATOM 789 N ASN A 53 -11.099 -3.619 21.307 1.00 0.00 N ATOM 790 CA ASN A 53 -10.135 -4.629 21.711 1.00 0.00 C ATOM 791 C ASN A 53 -10.752 -6.015 21.763 1.00 0.00 C ATOM 792 O ASN A 53 -10.040 -7.016 21.802 1.00 0.00 O ATOM 793 CB ASN A 53 -9.477 -4.268 23.044 1.00 0.00 C ATOM 794 CG ASN A 53 -8.540 -3.076 22.923 1.00 0.00 C ATOM 795 OD1 ASN A 53 -7.996 -2.800 21.849 1.00 0.00 O ATOM 796 ND2 ASN A 53 -8.344 -2.363 24.015 1.00 0.00 N ATOM 0 H ASN A 53 -11.464 -3.046 22.068 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.357 -4.651 20.948 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.250 -4.046 23.780 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.920 -5.128 23.416 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.725 -1.552 23.991 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.811 -2.622 24.884 1.00 0.00 H new ATOM 803 N SER A 54 -12.077 -6.081 21.745 1.00 0.00 N ATOM 804 CA SER A 54 -12.754 -7.364 21.759 1.00 0.00 C ATOM 805 C SER A 54 -12.882 -7.915 20.347 1.00 0.00 C ATOM 806 O SER A 54 -13.114 -9.105 20.155 1.00 0.00 O ATOM 807 CB SER A 54 -14.133 -7.224 22.383 1.00 0.00 C ATOM 808 OG SER A 54 -14.045 -6.805 23.731 1.00 0.00 O ATOM 0 H SER A 54 -12.695 -5.270 21.721 1.00 0.00 H new ATOM 0 HA SER A 54 -12.161 -8.058 22.355 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.721 -6.504 21.814 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.658 -8.178 22.330 1.00 0.00 H new ATOM 0 HG SER A 54 -13.536 -7.465 24.246 1.00 0.00 H new ATOM 814 N LEU A 55 -12.678 -7.052 19.374 1.00 0.00 N ATOM 815 CA LEU A 55 -12.763 -7.419 17.980 1.00 0.00 C ATOM 816 C LEU A 55 -11.359 -7.743 17.518 1.00 0.00 C ATOM 817 O LEU A 55 -10.420 -7.018 17.834 1.00 0.00 O ATOM 818 CB LEU A 55 -13.347 -6.234 17.174 1.00 0.00 C ATOM 819 CG LEU A 55 -14.032 -6.549 15.821 1.00 0.00 C ATOM 820 CD1 LEU A 55 -13.062 -7.161 14.835 1.00 0.00 C ATOM 821 CD2 LEU A 55 -15.229 -7.462 16.018 1.00 0.00 C ATOM 0 H LEU A 55 -12.447 -6.071 19.531 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.414 -8.280 17.831 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.074 -5.724 17.807 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -12.539 -5.528 16.984 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.380 -5.603 15.407 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.578 -7.368 13.898 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.242 -6.466 14.652 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.665 -8.090 15.244 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.692 -7.668 15.053 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.902 -8.398 16.471 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.953 -6.976 16.672 1.00 0.00 H new ATOM 833 N ARG A 56 -11.198 -8.824 16.793 1.00 0.00 N ATOM 834 CA ARG A 56 -9.876 -9.246 16.408 1.00 0.00 C ATOM 835 C ARG A 56 -9.799 -9.533 14.933 1.00 0.00 C ATOM 836 O ARG A 56 -10.733 -10.082 14.338 1.00 0.00 O ATOM 837 CB ARG A 56 -9.440 -10.487 17.205 1.00 0.00 C ATOM 838 CG ARG A 56 -10.392 -11.673 17.088 1.00 0.00 C ATOM 839 CD ARG A 56 -11.434 -11.681 18.200 1.00 0.00 C ATOM 840 NE ARG A 56 -10.838 -12.008 19.495 1.00 0.00 N ATOM 841 CZ ARG A 56 -11.530 -12.334 20.591 1.00 0.00 C ATOM 842 NH1 ARG A 56 -12.855 -12.440 20.548 1.00 0.00 N ATOM 843 NH2 ARG A 56 -10.891 -12.581 21.726 1.00 0.00 N ATOM 0 H ARG A 56 -11.957 -9.420 16.462 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.196 -8.425 16.635 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.451 -10.794 16.864 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.345 -10.215 18.256 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.894 -11.641 16.121 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.821 -12.601 17.120 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.914 -10.704 18.256 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.213 -12.406 17.964 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.821 -11.986 19.567 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.352 -12.272 19.673 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.374 -12.689 21.390 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.873 -12.522 21.762 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.417 -12.830 22.564 1.00 0.00 H new ATOM 857 N PHE A 57 -8.690 -9.159 14.350 1.00 0.00 N ATOM 858 CA PHE A 57 -8.431 -9.409 12.967 1.00 0.00 C ATOM 859 C PHE A 57 -7.270 -10.335 12.852 1.00 0.00 C ATOM 860 O PHE A 57 -6.269 -10.178 13.557 1.00 0.00 O ATOM 861 CB PHE A 57 -8.099 -8.125 12.244 1.00 0.00 C ATOM 862 CG PHE A 57 -9.270 -7.296 11.853 1.00 0.00 C ATOM 863 CD1 PHE A 57 -10.098 -6.726 12.793 1.00 0.00 C ATOM 864 CD2 PHE A 57 -9.513 -7.061 10.530 1.00 0.00 C ATOM 865 CE1 PHE A 57 -11.157 -5.936 12.403 1.00 0.00 C ATOM 866 CE2 PHE A 57 -10.564 -6.281 10.133 1.00 0.00 C ATOM 867 CZ PHE A 57 -11.389 -5.717 11.068 1.00 0.00 C ATOM 0 H PHE A 57 -7.937 -8.668 14.832 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.322 -9.848 12.518 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.447 -7.527 12.881 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.531 -8.369 11.346 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.916 -6.899 13.843 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.865 -7.498 9.785 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -11.803 -5.490 13.145 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.743 -6.110 9.082 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.220 -5.102 10.756 1.00 0.00 H new ATOM 877 N LEU A 58 -7.383 -11.287 11.988 1.00 0.00 N ATOM 878 CA LEU A 58 -6.325 -12.213 11.777 1.00 0.00 C ATOM 879 C LEU A 58 -6.009 -12.349 10.335 1.00 0.00 C ATOM 880 O LEU A 58 -6.862 -12.167 9.469 1.00 0.00 O ATOM 881 CB LEU A 58 -6.641 -13.582 12.358 1.00 0.00 C ATOM 882 CG LEU A 58 -6.290 -13.795 13.832 1.00 0.00 C ATOM 883 CD1 LEU A 58 -5.014 -13.141 14.190 1.00 0.00 C ATOM 884 CD2 LEU A 58 -7.395 -13.359 14.761 1.00 0.00 C ATOM 0 H LEU A 58 -8.209 -11.444 11.410 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.455 -11.812 12.297 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.707 -13.769 12.231 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.113 -14.333 11.770 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.168 -14.870 13.962 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.799 -13.315 15.244 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.210 -13.556 13.583 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.091 -12.069 14.007 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.092 -13.533 15.794 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.595 -12.297 14.615 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.298 -13.931 14.547 1.00 0.00 H new ATOM 896 N PHE A 59 -4.790 -12.657 10.075 1.00 0.00 N ATOM 897 CA PHE A 59 -4.367 -12.906 8.734 1.00 0.00 C ATOM 898 C PHE A 59 -3.979 -14.343 8.613 1.00 0.00 C ATOM 899 O PHE A 59 -2.932 -14.750 9.091 1.00 0.00 O ATOM 900 CB PHE A 59 -3.219 -11.995 8.308 1.00 0.00 C ATOM 901 CG PHE A 59 -2.717 -12.320 6.929 1.00 0.00 C ATOM 902 CD1 PHE A 59 -3.557 -12.219 5.833 1.00 0.00 C ATOM 903 CD2 PHE A 59 -1.411 -12.729 6.729 1.00 0.00 C ATOM 904 CE1 PHE A 59 -3.105 -12.521 4.567 1.00 0.00 C ATOM 905 CE2 PHE A 59 -0.952 -13.032 5.467 1.00 0.00 C ATOM 906 CZ PHE A 59 -1.800 -12.929 4.384 1.00 0.00 C ATOM 0 H PHE A 59 -4.056 -12.745 10.778 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.197 -12.685 8.063 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.551 -10.957 8.336 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.400 -12.087 9.022 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.579 -11.900 5.972 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.743 -12.812 7.574 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.770 -12.439 3.720 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.070 -13.350 5.325 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.442 -13.168 3.393 1.00 0.00 H new ATOM 916 N ASP A 60 -4.856 -15.114 8.008 1.00 0.00 N ATOM 917 CA ASP A 60 -4.668 -16.554 7.847 1.00 0.00 C ATOM 918 C ASP A 60 -4.416 -17.231 9.217 1.00 0.00 C ATOM 919 O ASP A 60 -3.837 -18.311 9.304 1.00 0.00 O ATOM 920 CB ASP A 60 -3.519 -16.836 6.878 1.00 0.00 C ATOM 921 CG ASP A 60 -3.588 -18.230 6.289 1.00 0.00 C ATOM 922 OD1 ASP A 60 -4.392 -18.441 5.356 1.00 0.00 O ATOM 923 OD2 ASP A 60 -2.849 -19.123 6.755 1.00 0.00 O ATOM 0 H ASP A 60 -5.727 -14.765 7.609 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.581 -16.977 7.427 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.539 -16.103 6.072 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.570 -16.711 7.399 1.00 0.00 H new ATOM 928 N GLY A 61 -4.892 -16.579 10.278 1.00 0.00 N ATOM 929 CA GLY A 61 -4.771 -17.116 11.621 1.00 0.00 C ATOM 930 C GLY A 61 -3.667 -16.469 12.439 1.00 0.00 C ATOM 931 O GLY A 61 -3.533 -16.744 13.628 1.00 0.00 O ATOM 0 H GLY A 61 -5.365 -15.677 10.226 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.720 -16.987 12.141 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.585 -18.188 11.559 1.00 0.00 H new ATOM 935 N ARG A 62 -2.884 -15.600 11.823 1.00 0.00 N ATOM 936 CA ARG A 62 -1.827 -14.919 12.549 1.00 0.00 C ATOM 937 C ARG A 62 -2.194 -13.462 12.746 1.00 0.00 C ATOM 938 O ARG A 62 -2.904 -12.884 11.926 1.00 0.00 O ATOM 939 CB ARG A 62 -0.467 -15.097 11.864 1.00 0.00 C ATOM 940 CG ARG A 62 -0.354 -14.534 10.458 1.00 0.00 C ATOM 941 CD ARG A 62 -0.093 -13.035 10.450 1.00 0.00 C ATOM 942 NE ARG A 62 1.143 -12.678 11.152 1.00 0.00 N ATOM 943 CZ ARG A 62 2.382 -12.895 10.678 1.00 0.00 C ATOM 944 NH1 ARG A 62 2.565 -13.580 9.544 1.00 0.00 N ATOM 945 NH2 ARG A 62 3.433 -12.436 11.345 1.00 0.00 N ATOM 0 H ARG A 62 -2.958 -15.352 10.836 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.727 -15.373 13.535 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.295 -14.627 12.485 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.237 -16.162 11.828 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.453 -15.043 9.930 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.274 -14.742 9.912 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.036 -12.685 9.419 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.933 -12.520 10.916 1.00 0.00 H new ATOM 0 HE ARG A 62 1.057 -12.233 12.066 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.761 -13.942 9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.509 -13.740 9.191 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.300 -11.920 12.215 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.374 -12.599 10.988 1.00 0.00 H new ATOM 959 N ARG A 63 -1.718 -12.877 13.824 1.00 0.00 N ATOM 960 CA ARG A 63 -2.148 -11.546 14.230 1.00 0.00 C ATOM 961 C ARG A 63 -1.719 -10.432 13.271 1.00 0.00 C ATOM 962 O ARG A 63 -0.629 -10.468 12.693 1.00 0.00 O ATOM 963 CB ARG A 63 -1.680 -11.235 15.658 1.00 0.00 C ATOM 964 CG ARG A 63 -2.482 -11.947 16.747 1.00 0.00 C ATOM 965 CD ARG A 63 -2.236 -13.450 16.758 1.00 0.00 C ATOM 966 NE ARG A 63 -2.917 -14.110 17.873 1.00 0.00 N ATOM 967 CZ ARG A 63 -2.954 -15.435 18.064 1.00 0.00 C ATOM 968 NH1 ARG A 63 -2.325 -16.253 17.219 1.00 0.00 N ATOM 969 NH2 ARG A 63 -3.612 -15.937 19.104 1.00 0.00 N ATOM 0 H ARG A 63 -1.027 -13.302 14.443 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.237 -11.566 14.198 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.631 -11.514 15.754 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.740 -10.159 15.822 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.219 -11.531 17.719 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.544 -11.756 16.596 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.580 -13.880 15.817 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.165 -13.641 16.823 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.397 -13.519 18.552 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.813 -15.870 16.424 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.355 -17.262 17.368 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.088 -15.313 19.756 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.641 -16.946 19.250 1.00 0.00 H new ATOM 983 N ILE A 64 -2.615 -9.458 13.108 1.00 0.00 N ATOM 984 CA ILE A 64 -2.366 -8.263 12.301 1.00 0.00 C ATOM 985 C ILE A 64 -1.433 -7.333 13.049 1.00 0.00 C ATOM 986 O ILE A 64 -1.491 -7.236 14.277 1.00 0.00 O ATOM 987 CB ILE A 64 -3.677 -7.521 11.949 1.00 0.00 C ATOM 988 CG1 ILE A 64 -4.677 -8.468 11.271 1.00 0.00 C ATOM 989 CG2 ILE A 64 -3.372 -6.352 11.033 1.00 0.00 C ATOM 990 CD1 ILE A 64 -4.195 -9.057 9.968 1.00 0.00 C ATOM 0 H ILE A 64 -3.541 -9.476 13.536 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.906 -8.580 11.365 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.125 -7.154 12.872 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.912 -9.281 11.958 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.605 -7.926 11.089 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.298 -5.831 10.787 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.691 -5.664 11.535 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.908 -6.719 10.118 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.963 -9.713 9.559 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.989 -8.254 9.260 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.284 -9.630 10.142 1.00 0.00 H new ATOM 1002 N ASN A 65 -0.578 -6.656 12.310 1.00 0.00 N ATOM 1003 CA ASN A 65 0.471 -5.912 12.878 1.00 0.00 C ATOM 1004 C ASN A 65 0.052 -4.721 13.639 1.00 0.00 C ATOM 1005 O ASN A 65 -0.319 -3.721 13.077 1.00 0.00 O ATOM 1006 CB ASN A 65 1.340 -5.316 11.796 1.00 0.00 C ATOM 1007 CG ASN A 65 1.514 -6.124 10.534 1.00 0.00 C ATOM 1008 OD1 ASN A 65 1.525 -7.330 10.546 1.00 0.00 O ATOM 1009 ND2 ASN A 65 1.645 -5.430 9.421 1.00 0.00 N ATOM 0 H ASN A 65 -0.612 -6.622 11.291 1.00 0.00 H new ATOM 0 HA ASN A 65 0.961 -6.637 13.528 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.923 -4.347 11.523 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.328 -5.131 12.218 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.761 -5.912 8.530 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.631 -4.411 9.451 1.00 0.00 H new ATOM 1016 N ASP A 66 0.135 -4.819 14.889 1.00 0.00 N ATOM 1017 CA ASP A 66 0.314 -3.664 15.697 1.00 0.00 C ATOM 1018 C ASP A 66 1.794 -3.559 15.800 1.00 0.00 C ATOM 1019 O ASP A 66 2.411 -2.497 15.719 1.00 0.00 O ATOM 1020 CB ASP A 66 -0.299 -3.798 17.092 1.00 0.00 C ATOM 1021 CG ASP A 66 0.255 -2.757 18.052 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -0.221 -1.605 18.027 1.00 0.00 O ATOM 1023 OD2 ASP A 66 1.185 -3.078 18.817 1.00 0.00 O ATOM 0 H ASP A 66 0.083 -5.698 15.403 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.178 -2.793 15.264 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.382 -3.692 17.025 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.100 -4.796 17.483 1.00 0.00 H new ATOM 1028 N ASP A 67 2.343 -4.758 15.940 1.00 0.00 N ATOM 1029 CA ASP A 67 3.745 -5.010 16.141 1.00 0.00 C ATOM 1030 C ASP A 67 4.324 -5.828 14.986 1.00 0.00 C ATOM 1031 O ASP A 67 5.543 -5.861 14.785 1.00 0.00 O ATOM 1032 CB ASP A 67 3.932 -5.757 17.465 1.00 0.00 C ATOM 1033 CG ASP A 67 5.356 -6.197 17.710 1.00 0.00 C ATOM 1034 OD1 ASP A 67 6.203 -5.336 18.019 1.00 0.00 O ATOM 1035 OD2 ASP A 67 5.626 -7.414 17.610 1.00 0.00 O ATOM 0 H ASP A 67 1.789 -5.614 15.914 1.00 0.00 H new ATOM 0 HA ASP A 67 4.277 -4.059 16.175 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.612 -5.114 18.285 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.282 -6.632 17.475 1.00 0.00 H new ATOM 1040 N ASP A 68 3.449 -6.483 14.207 1.00 0.00 N ATOM 1041 CA ASP A 68 3.914 -7.354 13.137 1.00 0.00 C ATOM 1042 C ASP A 68 4.468 -6.543 11.978 1.00 0.00 C ATOM 1043 O ASP A 68 4.325 -5.320 11.943 1.00 0.00 O ATOM 1044 CB ASP A 68 2.848 -8.354 12.699 1.00 0.00 C ATOM 1045 CG ASP A 68 2.727 -9.530 13.636 1.00 0.00 C ATOM 1046 OD1 ASP A 68 2.010 -9.420 14.645 1.00 0.00 O ATOM 1047 OD2 ASP A 68 3.340 -10.588 13.358 1.00 0.00 O ATOM 0 H ASP A 68 2.435 -6.423 14.301 1.00 0.00 H new ATOM 0 HA ASP A 68 4.734 -7.953 13.533 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.885 -7.847 12.634 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.085 -8.716 11.699 1.00 0.00 H new ATOM 1052 N THR A 69 5.124 -7.197 11.058 1.00 0.00 N ATOM 1053 CA THR A 69 5.819 -6.499 10.015 1.00 0.00 C ATOM 1054 C THR A 69 4.967 -6.438 8.744 1.00 0.00 C ATOM 1055 O THR A 69 4.426 -7.447 8.305 1.00 0.00 O ATOM 1056 CB THR A 69 7.171 -7.187 9.739 1.00 0.00 C ATOM 1057 OG1 THR A 69 7.946 -7.214 10.949 1.00 0.00 O ATOM 1058 CG2 THR A 69 7.956 -6.467 8.661 1.00 0.00 C ATOM 0 H THR A 69 5.191 -8.214 11.011 1.00 0.00 H new ATOM 0 HA THR A 69 6.007 -5.475 10.338 1.00 0.00 H new ATOM 0 HB THR A 69 6.969 -8.200 9.391 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.806 -7.652 10.777 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.902 -6.982 8.495 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.380 -6.459 7.736 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.151 -5.442 8.976 1.00 0.00 H new ATOM 1066 N PRO A 70 4.821 -5.245 8.151 1.00 0.00 N ATOM 1067 CA PRO A 70 4.030 -5.057 6.923 1.00 0.00 C ATOM 1068 C PRO A 70 4.453 -6.020 5.812 1.00 0.00 C ATOM 1069 O PRO A 70 3.612 -6.548 5.081 1.00 0.00 O ATOM 1070 CB PRO A 70 4.350 -3.613 6.532 1.00 0.00 C ATOM 1071 CG PRO A 70 4.649 -2.949 7.830 1.00 0.00 C ATOM 1072 CD PRO A 70 5.386 -3.968 8.640 1.00 0.00 C ATOM 0 HA PRO A 70 2.968 -5.251 7.077 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.200 -3.562 5.852 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.508 -3.140 6.026 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.253 -2.053 7.683 1.00 0.00 H new ATOM 0 HG3 PRO A 70 3.733 -2.637 8.331 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.462 -3.913 8.477 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.218 -3.834 9.709 1.00 0.00 H new ATOM 1080 N LYS A 71 5.750 -6.275 5.715 1.00 0.00 N ATOM 1081 CA LYS A 71 6.263 -7.168 4.716 1.00 0.00 C ATOM 1082 C LYS A 71 6.111 -8.642 5.142 1.00 0.00 C ATOM 1083 O LYS A 71 6.028 -9.527 4.291 1.00 0.00 O ATOM 1084 CB LYS A 71 7.721 -6.790 4.351 1.00 0.00 C ATOM 1085 CG LYS A 71 8.673 -7.958 4.236 1.00 0.00 C ATOM 1086 CD LYS A 71 9.305 -8.268 5.578 1.00 0.00 C ATOM 1087 CE LYS A 71 9.758 -9.702 5.648 1.00 0.00 C ATOM 1088 NZ LYS A 71 10.723 -10.042 4.572 1.00 0.00 N ATOM 0 H LYS A 71 6.460 -5.868 6.324 1.00 0.00 H new ATOM 0 HA LYS A 71 5.667 -7.058 3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.715 -6.251 3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.102 -6.103 5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.139 -8.834 3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.450 -7.730 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.155 -7.607 5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.588 -8.071 6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.219 -9.888 6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.891 -10.358 5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.134 -10.979 4.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.231 -10.055 3.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.481 -9.330 4.548 1.00 0.00 H new ATOM 1102 N THR A 72 6.047 -8.907 6.461 1.00 0.00 N ATOM 1103 CA THR A 72 5.881 -10.283 6.923 1.00 0.00 C ATOM 1104 C THR A 72 4.475 -10.766 6.586 1.00 0.00 C ATOM 1105 O THR A 72 4.263 -11.941 6.305 1.00 0.00 O ATOM 1106 CB THR A 72 6.201 -10.485 8.449 1.00 0.00 C ATOM 1107 OG1 THR A 72 6.523 -11.860 8.700 1.00 0.00 O ATOM 1108 CG2 THR A 72 5.029 -10.095 9.347 1.00 0.00 C ATOM 0 H THR A 72 6.106 -8.205 7.199 1.00 0.00 H new ATOM 0 HA THR A 72 6.618 -10.888 6.395 1.00 0.00 H new ATOM 0 HB THR A 72 7.044 -9.836 8.684 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.723 -11.981 9.652 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.302 -10.253 10.390 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.785 -9.044 9.191 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.162 -10.709 9.101 1.00 0.00 H new ATOM 1116 N LEU A 73 3.512 -9.840 6.613 1.00 0.00 N ATOM 1117 CA LEU A 73 2.159 -10.154 6.185 1.00 0.00 C ATOM 1118 C LEU A 73 2.110 -10.310 4.677 1.00 0.00 C ATOM 1119 O LEU A 73 1.238 -10.994 4.145 1.00 0.00 O ATOM 1120 CB LEU A 73 1.168 -9.075 6.599 1.00 0.00 C ATOM 1121 CG LEU A 73 0.874 -8.917 8.075 1.00 0.00 C ATOM 1122 CD1 LEU A 73 -0.182 -7.837 8.258 1.00 0.00 C ATOM 1123 CD2 LEU A 73 0.401 -10.223 8.672 1.00 0.00 C ATOM 0 H LEU A 73 3.648 -8.878 6.924 1.00 0.00 H new ATOM 0 HA LEU A 73 1.878 -11.088 6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.538 -8.120 6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.225 -9.272 6.089 1.00 0.00 H new ATOM 0 HG LEU A 73 1.788 -8.626 8.593 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.400 -7.717 9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.188 -6.894 7.855 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.092 -8.125 7.731 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.196 -10.085 9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.509 -10.546 8.166 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.174 -10.981 8.548 1.00 0.00 H new ATOM 1135 N GLU A 74 3.062 -9.662 3.999 1.00 0.00 N ATOM 1136 CA GLU A 74 3.171 -9.715 2.546 1.00 0.00 C ATOM 1137 C GLU A 74 1.861 -9.233 1.892 1.00 0.00 C ATOM 1138 O GLU A 74 1.392 -9.796 0.898 1.00 0.00 O ATOM 1139 CB GLU A 74 3.522 -11.146 2.118 1.00 0.00 C ATOM 1140 CG GLU A 74 4.059 -11.271 0.708 1.00 0.00 C ATOM 1141 CD GLU A 74 4.466 -12.685 0.386 1.00 0.00 C ATOM 1142 OE1 GLU A 74 3.687 -13.396 -0.277 1.00 0.00 O ATOM 1143 OE2 GLU A 74 5.563 -13.100 0.802 1.00 0.00 O ATOM 0 H GLU A 74 3.776 -9.087 4.446 1.00 0.00 H new ATOM 0 HA GLU A 74 3.966 -9.048 2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.262 -11.547 2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.631 -11.767 2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.299 -10.942 -0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.917 -10.609 0.586 1.00 0.00 H new ATOM 1150 N MET A 75 1.285 -8.182 2.468 1.00 0.00 N ATOM 1151 CA MET A 75 0.040 -7.609 1.978 1.00 0.00 C ATOM 1152 C MET A 75 0.239 -6.857 0.680 1.00 0.00 C ATOM 1153 O MET A 75 1.343 -6.396 0.370 1.00 0.00 O ATOM 1154 CB MET A 75 -0.547 -6.655 3.006 1.00 0.00 C ATOM 1155 CG MET A 75 -0.980 -7.311 4.290 1.00 0.00 C ATOM 1156 SD MET A 75 -2.395 -8.401 4.068 1.00 0.00 S ATOM 1157 CE MET A 75 -2.711 -8.892 5.756 1.00 0.00 C ATOM 0 H MET A 75 1.668 -7.706 3.285 1.00 0.00 H new ATOM 0 HA MET A 75 -0.643 -8.440 1.802 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.193 -5.888 3.236 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.405 -6.148 2.564 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.147 -7.882 4.701 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.230 -6.542 5.020 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.707 -9.328 5.828 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.969 -9.628 6.066 1.00 0.00 H new ATOM 0 HE3 MET A 75 -2.649 -8.019 6.406 1.00 0.00 H new ATOM 1167 N GLU A 76 -0.832 -6.748 -0.070 1.00 0.00 N ATOM 1168 CA GLU A 76 -0.853 -6.005 -1.296 1.00 0.00 C ATOM 1169 C GLU A 76 -2.259 -5.498 -1.517 1.00 0.00 C ATOM 1170 O GLU A 76 -3.159 -5.806 -0.728 1.00 0.00 O ATOM 1171 CB GLU A 76 -0.374 -6.850 -2.483 1.00 0.00 C ATOM 1172 CG GLU A 76 -1.212 -8.082 -2.756 1.00 0.00 C ATOM 1173 CD GLU A 76 -0.679 -8.887 -3.916 1.00 0.00 C ATOM 1174 OE1 GLU A 76 -0.837 -8.448 -5.071 1.00 0.00 O ATOM 1175 OE2 GLU A 76 -0.092 -9.963 -3.680 1.00 0.00 O ATOM 0 H GLU A 76 -1.725 -7.182 0.163 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.162 -5.165 -1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.366 -6.226 -3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.655 -7.159 -2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.238 -8.707 -1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.239 -7.782 -2.965 1.00 0.00 H new ATOM 1182 N ASP A 77 -2.450 -4.721 -2.552 1.00 0.00 N ATOM 1183 CA ASP A 77 -3.745 -4.141 -2.842 1.00 0.00 C ATOM 1184 C ASP A 77 -4.830 -5.204 -3.027 1.00 0.00 C ATOM 1185 O ASP A 77 -4.724 -6.090 -3.877 1.00 0.00 O ATOM 1186 CB ASP A 77 -3.655 -3.245 -4.072 1.00 0.00 C ATOM 1187 CG ASP A 77 -4.944 -2.514 -4.360 1.00 0.00 C ATOM 1188 OD1 ASP A 77 -5.428 -1.797 -3.472 1.00 0.00 O ATOM 1189 OD2 ASP A 77 -5.457 -2.628 -5.494 1.00 0.00 O ATOM 0 H ASP A 77 -1.719 -4.471 -3.218 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.034 -3.540 -1.980 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.855 -2.519 -3.929 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.385 -3.850 -4.937 1.00 0.00 H new ATOM 1194 N ASP A 78 -5.854 -5.092 -2.184 1.00 0.00 N ATOM 1195 CA ASP A 78 -7.062 -5.942 -2.189 1.00 0.00 C ATOM 1196 C ASP A 78 -6.781 -7.338 -1.637 1.00 0.00 C ATOM 1197 O ASP A 78 -7.373 -8.323 -2.074 1.00 0.00 O ATOM 1198 CB ASP A 78 -7.683 -6.017 -3.587 1.00 0.00 C ATOM 1199 CG ASP A 78 -9.143 -6.438 -3.575 1.00 0.00 C ATOM 1200 OD1 ASP A 78 -9.975 -5.695 -3.013 1.00 0.00 O ATOM 1201 OD2 ASP A 78 -9.470 -7.499 -4.156 1.00 0.00 O ATOM 0 H ASP A 78 -5.875 -4.385 -1.449 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.786 -5.471 -1.524 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.597 -5.043 -4.068 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.114 -6.722 -4.192 1.00 0.00 H new ATOM 1206 N ASP A 79 -5.885 -7.422 -0.659 1.00 0.00 N ATOM 1207 CA ASP A 79 -5.586 -8.702 -0.037 1.00 0.00 C ATOM 1208 C ASP A 79 -6.715 -9.098 0.910 1.00 0.00 C ATOM 1209 O ASP A 79 -7.668 -8.341 1.107 1.00 0.00 O ATOM 1210 CB ASP A 79 -4.252 -8.692 0.699 1.00 0.00 C ATOM 1211 CG ASP A 79 -3.510 -10.006 0.530 1.00 0.00 C ATOM 1212 OD1 ASP A 79 -2.459 -10.015 -0.147 1.00 0.00 O ATOM 1213 OD2 ASP A 79 -3.994 -11.045 1.035 1.00 0.00 O ATOM 0 H ASP A 79 -5.361 -6.630 -0.286 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.504 -9.441 -0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.636 -7.875 0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.422 -8.503 1.759 1.00 0.00 H new ATOM 1218 N VAL A 80 -6.602 -10.257 1.503 1.00 0.00 N ATOM 1219 CA VAL A 80 -7.668 -10.801 2.316 1.00 0.00 C ATOM 1220 C VAL A 80 -7.313 -10.818 3.799 1.00 0.00 C ATOM 1221 O VAL A 80 -6.156 -10.986 4.182 1.00 0.00 O ATOM 1222 CB VAL A 80 -8.020 -12.230 1.862 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -8.539 -12.214 0.436 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -6.802 -13.134 1.968 1.00 0.00 C ATOM 0 H VAL A 80 -5.775 -10.851 1.440 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.529 -10.147 2.181 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.801 -12.620 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.784 -13.230 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.433 -11.592 0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.773 -11.808 -0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.067 -14.140 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.005 -12.746 1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.460 -13.164 3.003 1.00 0.00 H new ATOM 1234 N ILE A 81 -8.325 -10.645 4.616 1.00 0.00 N ATOM 1235 CA ILE A 81 -8.182 -10.628 6.050 1.00 0.00 C ATOM 1236 C ILE A 81 -9.353 -11.355 6.708 1.00 0.00 C ATOM 1237 O ILE A 81 -10.485 -11.293 6.220 1.00 0.00 O ATOM 1238 CB ILE A 81 -8.029 -9.171 6.582 1.00 0.00 C ATOM 1239 CG1 ILE A 81 -6.564 -8.917 6.975 1.00 0.00 C ATOM 1240 CG2 ILE A 81 -8.973 -8.875 7.737 1.00 0.00 C ATOM 1241 CD1 ILE A 81 -6.280 -7.516 7.466 1.00 0.00 C ATOM 0 H ILE A 81 -9.284 -10.510 4.297 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.268 -11.160 6.315 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.307 -8.487 5.780 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.282 -9.625 7.754 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.929 -9.122 6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.828 -7.848 8.072 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -10.004 -9.007 7.408 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.765 -9.558 8.561 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.224 -7.427 7.721 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.526 -6.799 6.683 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.885 -7.310 8.349 1.00 0.00 H new ATOM 1253 N GLU A 82 -9.079 -12.037 7.804 1.00 0.00 N ATOM 1254 CA GLU A 82 -10.077 -12.851 8.471 1.00 0.00 C ATOM 1255 C GLU A 82 -10.468 -12.216 9.810 1.00 0.00 C ATOM 1256 O GLU A 82 -9.625 -11.647 10.503 1.00 0.00 O ATOM 1257 CB GLU A 82 -9.494 -14.239 8.717 1.00 0.00 C ATOM 1258 CG GLU A 82 -8.841 -14.864 7.485 1.00 0.00 C ATOM 1259 CD GLU A 82 -9.781 -15.049 6.315 1.00 0.00 C ATOM 1260 OE1 GLU A 82 -10.812 -15.732 6.473 1.00 0.00 O ATOM 1261 OE2 GLU A 82 -9.476 -14.534 5.221 1.00 0.00 O ATOM 0 H GLU A 82 -8.164 -12.043 8.255 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.966 -12.923 7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.754 -14.175 9.515 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.287 -14.898 9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.007 -14.236 7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.425 -15.833 7.760 1.00 0.00 H new ATOM 1268 N VAL A 83 -11.736 -12.311 10.167 1.00 0.00 N ATOM 1269 CA VAL A 83 -12.223 -11.757 11.432 1.00 0.00 C ATOM 1270 C VAL A 83 -12.942 -12.810 12.261 1.00 0.00 C ATOM 1271 O VAL A 83 -13.788 -13.552 11.755 1.00 0.00 O ATOM 1272 CB VAL A 83 -13.174 -10.553 11.217 1.00 0.00 C ATOM 1273 CG1 VAL A 83 -13.762 -10.072 12.539 1.00 0.00 C ATOM 1274 CG2 VAL A 83 -12.438 -9.422 10.558 1.00 0.00 C ATOM 0 H VAL A 83 -12.454 -12.766 9.603 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.339 -11.413 11.969 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.989 -10.884 10.574 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.425 -9.226 12.356 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -14.326 -10.882 13.002 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.956 -9.764 13.205 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -13.117 -8.582 10.412 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -11.607 -9.111 11.191 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -12.055 -9.751 9.592 1.00 0.00 H new ATOM 1284 N TYR A 84 -12.593 -12.876 13.527 1.00 0.00 N ATOM 1285 CA TYR A 84 -13.228 -13.782 14.452 1.00 0.00 C ATOM 1286 C TYR A 84 -14.253 -13.031 15.286 1.00 0.00 C ATOM 1287 O TYR A 84 -14.211 -11.802 15.368 1.00 0.00 O ATOM 1288 CB TYR A 84 -12.195 -14.439 15.351 1.00 0.00 C ATOM 1289 CG TYR A 84 -11.285 -15.412 14.641 1.00 0.00 C ATOM 1290 CD1 TYR A 84 -10.112 -14.985 14.053 1.00 0.00 C ATOM 1291 CD2 TYR A 84 -11.592 -16.764 14.582 1.00 0.00 C ATOM 1292 CE1 TYR A 84 -9.262 -15.872 13.424 1.00 0.00 C ATOM 1293 CE2 TYR A 84 -10.751 -17.660 13.950 1.00 0.00 C ATOM 1294 CZ TYR A 84 -9.586 -17.207 13.375 1.00 0.00 C ATOM 1295 OH TYR A 84 -8.736 -18.092 12.758 1.00 0.00 O ATOM 0 H TYR A 84 -11.860 -12.301 13.942 1.00 0.00 H new ATOM 0 HA TYR A 84 -13.734 -14.564 13.886 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.587 -13.662 15.814 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -12.711 -14.963 16.156 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.854 -13.937 14.086 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -12.503 -17.122 15.038 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.347 -15.519 12.972 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.006 -18.709 13.908 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.110 -18.996 12.811 1.00 0.00 H new ATOM 1305 N GLN A 85 -15.156 -13.764 15.914 1.00 0.00 N ATOM 1306 CA GLN A 85 -16.226 -13.152 16.688 1.00 0.00 C ATOM 1307 C GLN A 85 -15.647 -12.497 17.946 1.00 0.00 C ATOM 1308 O GLN A 85 -14.691 -13.009 18.542 1.00 0.00 O ATOM 1309 CB GLN A 85 -17.275 -14.193 17.075 1.00 0.00 C ATOM 1310 CG GLN A 85 -18.569 -13.579 17.565 1.00 0.00 C ATOM 1311 CD GLN A 85 -19.340 -12.903 16.442 1.00 0.00 C ATOM 1312 OE1 GLN A 85 -19.355 -13.383 15.304 1.00 0.00 O ATOM 1313 NE2 GLN A 85 -19.933 -11.766 16.732 1.00 0.00 N ATOM 0 H GLN A 85 -15.171 -14.784 15.904 1.00 0.00 H new ATOM 0 HA GLN A 85 -16.708 -12.390 16.075 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -17.484 -14.827 16.213 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -16.868 -14.838 17.854 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -19.190 -14.353 18.016 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -18.352 -12.850 18.346 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -19.899 -11.401 17.684 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -20.427 -11.249 16.005 1.00 0.00 H new ATOM 1322 N GLU A 86 -16.212 -11.373 18.338 1.00 0.00 N ATOM 1323 CA GLU A 86 -15.694 -10.599 19.451 1.00 0.00 C ATOM 1324 C GLU A 86 -16.307 -11.005 20.802 1.00 0.00 C ATOM 1325 O GLU A 86 -17.251 -11.786 20.867 1.00 0.00 O ATOM 1326 CB GLU A 86 -15.885 -9.101 19.200 1.00 0.00 C ATOM 1327 CG GLU A 86 -17.280 -8.584 19.457 1.00 0.00 C ATOM 1328 CD GLU A 86 -18.294 -9.063 18.444 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -18.653 -10.248 18.482 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -18.735 -8.252 17.624 1.00 0.00 O ATOM 0 H GLU A 86 -17.039 -10.971 17.897 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.628 -10.818 19.515 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -15.188 -8.550 19.831 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.618 -8.884 18.166 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.597 -8.895 20.452 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.262 -7.494 19.454 1.00 0.00 H new ATOM 1337 N GLN A 87 -15.733 -10.455 21.869 1.00 0.00 N ATOM 1338 CA GLN A 87 -16.144 -10.734 23.251 1.00 0.00 C ATOM 1339 C GLN A 87 -17.584 -10.314 23.531 1.00 0.00 C ATOM 1340 O GLN A 87 -18.374 -11.088 24.058 1.00 0.00 O ATOM 1341 CB GLN A 87 -15.201 -9.997 24.212 1.00 0.00 C ATOM 1342 CG GLN A 87 -15.552 -10.144 25.676 1.00 0.00 C ATOM 1343 CD GLN A 87 -14.549 -9.465 26.588 1.00 0.00 C ATOM 1344 OE1 GLN A 87 -13.369 -9.342 26.255 1.00 0.00 O ATOM 1345 NE2 GLN A 87 -15.010 -9.014 27.736 1.00 0.00 N ATOM 0 H GLN A 87 -14.959 -9.794 21.802 1.00 0.00 H new ATOM 0 HA GLN A 87 -16.088 -11.812 23.401 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.186 -10.364 24.057 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -15.199 -8.937 23.957 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -16.541 -9.722 25.853 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.607 -11.203 25.928 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.994 -9.136 27.974 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.383 -8.542 28.388 1.00 0.00 H new ATOM 1354 N LEU A 88 -17.910 -9.087 23.171 1.00 0.00 N ATOM 1355 CA LEU A 88 -19.238 -8.542 23.418 1.00 0.00 C ATOM 1356 C LEU A 88 -20.298 -9.220 22.570 1.00 0.00 C ATOM 1357 O LEU A 88 -21.431 -9.421 23.022 1.00 0.00 O ATOM 1358 CB LEU A 88 -19.264 -7.017 23.221 1.00 0.00 C ATOM 1359 CG LEU A 88 -18.756 -6.170 24.403 1.00 0.00 C ATOM 1360 CD1 LEU A 88 -17.302 -6.476 24.724 1.00 0.00 C ATOM 1361 CD2 LEU A 88 -18.939 -4.689 24.112 1.00 0.00 C ATOM 0 H LEU A 88 -17.272 -8.443 22.704 1.00 0.00 H new ATOM 0 HA LEU A 88 -19.477 -8.750 24.461 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -18.665 -6.775 22.343 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -20.288 -6.717 23.000 1.00 0.00 H new ATOM 0 HG LEU A 88 -19.349 -6.431 25.279 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -16.977 -5.860 25.563 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -17.201 -7.529 24.986 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -16.684 -6.258 23.853 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -18.575 -4.104 24.957 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -18.377 -4.422 23.217 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -19.996 -4.477 23.953 1.00 0.00 H new