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 31 TYR OH : rot 30:sc= 0.394 USER MOD Set 1.2: C 59 LYS NZ :NH3+ 151:sc= 0.403 (180deg=-0.0241) USER MOD Set 2.1: C 51 SER OG : rot -170:sc= 1.27 USER MOD Set 2.2: C 54 THR OG1 : rot 136:sc= 1.27 USER MOD Set 3.1: C 38 ASN : amide:sc= -2.54! C(o=-3.8!,f=-6.7!) USER MOD Set 3.2: C 48 GLN :FLIP amide:sc= -1.26 F(o=-6!,f=-3.8) USER MOD Set 4.1: C 30 LYS NZ :NH3+ -123:sc= 0.0355 (180deg=0) USER MOD Set 4.2: C 49 TYR OH : rot 180:sc= 0.033 USER MOD Set 5.1: C 20 TYR OH : rot -137:sc= 0.0774 USER MOD Set 5.2: C 22 SER OG : rot -11:sc= 0.271 USER MOD Single : C 13 TYR OH : rot 110:sc= -0.6 USER MOD Single : C 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 27 LYS NZ :NH3+ -168:sc= 1.08 (180deg=0.819) USER MOD Single : C 33 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : C 36 SER OG : rot 33:sc= 1.24 USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 50 MET CE :methyl 174:sc= -0.406 (180deg=-0.469) USER MOD Single : C 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 65 TYR OH : rot 180:sc= 0 USER MOD Single : C 69 SER OG : rot 70:sc= -2.13! USER MOD Single : C 70 GLN : amide:sc= -0.601 X(o=-0.6,f=-0.11) USER MOD Single : C 71 TYR OH : rot 180:sc= -0.161 USER MOD Single : C 76 TYR OH : rot -159:sc= 1.29 USER MOD Single : C 77 MET CE :methyl 144:sc= -0.205 (180deg=-1.16) USER MOD Single : C 78 SER OG : rot 44:sc= 0.0561 USER MOD Single : C 79 LYS NZ :NH3+ 154:sc= 1.22 (180deg=0.591) USER MOD Single : C 80 THR OG1 : rot 180:sc= 0.00962 USER MOD Single : C 85 ASN : amide:sc= 0.878 K(o=0.88,f=-0.00013) USER MOD Single : C 86 TYR OH : rot 180:sc= 0 USER MOD Single : C 87 THR OG1 : rot -165:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 167 N LEU C 12 1.255 6.391 -2.892 1.00 0.00 N ATOM 168 CA LEU C 12 1.961 5.791 -1.775 1.00 0.00 C ATOM 169 C LEU C 12 0.960 5.426 -0.689 1.00 0.00 C ATOM 170 O LEU C 12 -0.191 5.856 -0.738 1.00 0.00 O ATOM 171 CB LEU C 12 3.041 6.748 -1.264 1.00 0.00 C ATOM 172 CG LEU C 12 4.080 7.154 -2.320 1.00 0.00 C ATOM 173 CD1 LEU C 12 5.184 7.997 -1.706 1.00 0.00 C ATOM 174 CD2 LEU C 12 4.668 5.926 -2.997 1.00 0.00 C ATOM 0 HA LEU C 12 2.463 4.877 -2.093 1.00 0.00 H new ATOM 0 HB2 LEU C 12 2.560 7.648 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU C 12 3.557 6.280 -0.425 1.00 0.00 H new ATOM 0 HG LEU C 12 3.571 7.756 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU C 12 5.905 8.270 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU C 12 4.754 8.901 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU C 12 5.686 7.426 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU C 12 5.401 6.237 -3.741 1.00 0.00 H new ATOM 0 HD22 LEU C 12 5.153 5.296 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU C 12 3.872 5.363 -3.485 1.00 0.00 H new ATOM 186 N TYR C 13 1.388 4.643 0.289 1.00 0.00 N ATOM 187 CA TYR C 13 0.447 3.999 1.197 1.00 0.00 C ATOM 188 C TYR C 13 0.207 4.830 2.448 1.00 0.00 C ATOM 189 O TYR C 13 1.118 5.472 2.971 1.00 0.00 O ATOM 190 CB TYR C 13 0.961 2.622 1.615 1.00 0.00 C ATOM 191 CG TYR C 13 1.694 1.866 0.531 1.00 0.00 C ATOM 192 CD1 TYR C 13 3.080 1.818 0.526 1.00 0.00 C ATOM 193 CD2 TYR C 13 1.010 1.192 -0.472 1.00 0.00 C ATOM 194 CE1 TYR C 13 3.765 1.122 -0.442 1.00 0.00 C ATOM 195 CE2 TYR C 13 1.692 0.493 -1.450 1.00 0.00 C ATOM 196 CZ TYR C 13 3.071 0.461 -1.428 1.00 0.00 C ATOM 197 OH TYR C 13 3.760 -0.237 -2.389 1.00 0.00 O ATOM 0 H TYR C 13 2.370 4.438 0.475 1.00 0.00 H new ATOM 0 HA TYR C 13 -0.494 3.900 0.657 1.00 0.00 H new ATOM 0 HB2 TYR C 13 1.627 2.742 2.469 1.00 0.00 H new ATOM 0 HB3 TYR C 13 0.116 2.021 1.951 1.00 0.00 H new ATOM 0 HD1 TYR C 13 3.631 2.337 1.296 1.00 0.00 H new ATOM 0 HD2 TYR C 13 -0.070 1.214 -0.488 1.00 0.00 H new ATOM 0 HE1 TYR C 13 4.845 1.095 -0.428 1.00 0.00 H new ATOM 0 HE2 TYR C 13 1.149 -0.025 -2.227 1.00 0.00 H new ATOM 0 HH TYR C 13 3.624 -1.198 -2.256 1.00 0.00 H new ATOM 207 N LYS C 14 -1.034 4.808 2.918 1.00 0.00 N ATOM 208 CA LYS C 14 -1.393 5.442 4.181 1.00 0.00 C ATOM 209 C LYS C 14 -2.159 4.439 5.025 1.00 0.00 C ATOM 210 O LYS C 14 -3.272 4.055 4.679 1.00 0.00 O ATOM 211 CB LYS C 14 -2.242 6.697 3.948 1.00 0.00 C ATOM 212 CG LYS C 14 -1.530 7.787 3.154 1.00 0.00 C ATOM 213 CD LYS C 14 -2.385 9.041 3.021 1.00 0.00 C ATOM 214 CE LYS C 14 -3.672 8.777 2.253 1.00 0.00 C ATOM 215 NZ LYS C 14 -4.552 9.974 2.213 1.00 0.00 N ATOM 0 H LYS C 14 -1.813 4.355 2.440 1.00 0.00 H new ATOM 0 HA LYS C 14 -0.485 5.752 4.698 1.00 0.00 H new ATOM 0 HB2 LYS C 14 -3.153 6.414 3.421 1.00 0.00 H new ATOM 0 HB3 LYS C 14 -2.545 7.103 4.913 1.00 0.00 H new ATOM 0 HG2 LYS C 14 -0.590 8.039 3.645 1.00 0.00 H new ATOM 0 HG3 LYS C 14 -1.281 7.410 2.162 1.00 0.00 H new ATOM 0 HD2 LYS C 14 -2.627 9.421 4.013 1.00 0.00 H new ATOM 0 HD3 LYS C 14 -1.813 9.817 2.513 1.00 0.00 H new ATOM 0 HE2 LYS C 14 -3.430 8.470 1.235 1.00 0.00 H new ATOM 0 HE3 LYS C 14 -4.208 7.949 2.717 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 -5.417 9.751 1.681 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 -4.804 10.252 3.183 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 -4.051 10.758 1.747 1.00 0.00 H new ATOM 229 N ASP C 15 -1.554 4.013 6.123 1.00 0.00 N ATOM 230 CA ASP C 15 -2.074 2.890 6.901 1.00 0.00 C ATOM 231 C ASP C 15 -3.381 3.253 7.629 1.00 0.00 C ATOM 232 O ASP C 15 -3.972 4.307 7.386 1.00 0.00 O ATOM 233 CB ASP C 15 -0.980 2.370 7.862 1.00 0.00 C ATOM 234 CG ASP C 15 -1.212 2.648 9.340 1.00 0.00 C ATOM 235 OD1 ASP C 15 -0.999 1.718 10.145 1.00 0.00 O ATOM 236 OD2 ASP C 15 -1.627 3.771 9.701 1.00 0.00 O ATOM 0 H ASP C 15 -0.701 4.426 6.499 1.00 0.00 H new ATOM 0 HA ASP C 15 -2.334 2.080 6.219 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -0.884 1.293 7.725 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -0.028 2.814 7.573 1.00 0.00 H new ATOM 241 N ALA C 16 -3.803 2.374 8.533 1.00 0.00 N ATOM 242 CA ALA C 16 -5.118 2.447 9.165 1.00 0.00 C ATOM 243 C ALA C 16 -5.365 3.794 9.844 1.00 0.00 C ATOM 244 O ALA C 16 -6.359 4.461 9.556 1.00 0.00 O ATOM 245 CB ALA C 16 -5.271 1.309 10.186 1.00 0.00 C ATOM 0 H ALA C 16 -3.239 1.586 8.850 1.00 0.00 H new ATOM 0 HA ALA C 16 -5.863 2.341 8.377 1.00 0.00 H new ATOM 0 HB1 ALA C 16 -6.254 1.369 10.654 1.00 0.00 H new ATOM 0 HB2 ALA C 16 -5.169 0.349 9.679 1.00 0.00 H new ATOM 0 HB3 ALA C 16 -4.499 1.400 10.950 1.00 0.00 H new ATOM 251 N ASP C 17 -4.465 4.209 10.729 1.00 0.00 N ATOM 252 CA ASP C 17 -4.693 5.419 11.513 1.00 0.00 C ATOM 253 C ASP C 17 -4.065 6.619 10.829 1.00 0.00 C ATOM 254 O ASP C 17 -4.356 7.771 11.165 1.00 0.00 O ATOM 255 CB ASP C 17 -4.151 5.280 12.944 1.00 0.00 C ATOM 256 CG ASP C 17 -2.637 5.194 13.021 1.00 0.00 C ATOM 257 OD1 ASP C 17 -2.112 4.081 13.229 1.00 0.00 O ATOM 258 OD2 ASP C 17 -1.964 6.242 12.905 1.00 0.00 O ATOM 0 H ASP C 17 -3.583 3.734 10.920 1.00 0.00 H new ATOM 0 HA ASP C 17 -5.771 5.569 11.579 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -4.488 6.132 13.534 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -4.580 4.388 13.400 1.00 0.00 H new ATOM 263 N GLY C 18 -3.209 6.348 9.863 1.00 0.00 N ATOM 264 CA GLY C 18 -2.574 7.415 9.134 1.00 0.00 C ATOM 265 C GLY C 18 -1.067 7.337 9.201 1.00 0.00 C ATOM 266 O GLY C 18 -0.382 8.358 9.200 1.00 0.00 O ATOM 0 H GLY C 18 -2.943 5.408 9.571 1.00 0.00 H new ATOM 0 HA2 GLY C 18 -2.892 7.379 8.092 1.00 0.00 H new ATOM 0 HA3 GLY C 18 -2.904 8.373 9.535 1.00 0.00 H new ATOM 270 N VAL C 19 -0.552 6.128 9.300 1.00 0.00 N ATOM 271 CA VAL C 19 0.881 5.907 9.239 1.00 0.00 C ATOM 272 C VAL C 19 1.352 6.013 7.800 1.00 0.00 C ATOM 273 O VAL C 19 0.962 5.213 6.945 1.00 0.00 O ATOM 274 CB VAL C 19 1.265 4.527 9.821 1.00 0.00 C ATOM 275 CG1 VAL C 19 2.703 4.166 9.476 1.00 0.00 C ATOM 276 CG2 VAL C 19 1.065 4.518 11.328 1.00 0.00 C ATOM 0 H VAL C 19 -1.106 5.280 9.423 1.00 0.00 H new ATOM 0 HA VAL C 19 1.370 6.671 9.843 1.00 0.00 H new ATOM 0 HB VAL C 19 0.613 3.777 9.373 1.00 0.00 H new ATOM 0 HG11 VAL C 19 2.945 3.191 9.898 1.00 0.00 H new ATOM 0 HG12 VAL C 19 2.820 4.131 8.393 1.00 0.00 H new ATOM 0 HG13 VAL C 19 3.376 4.917 9.889 1.00 0.00 H new ATOM 0 HG21 VAL C 19 1.339 3.541 11.726 1.00 0.00 H new ATOM 0 HG22 VAL C 19 1.693 5.284 11.783 1.00 0.00 H new ATOM 0 HG23 VAL C 19 0.019 4.723 11.557 1.00 0.00 H new ATOM 286 N TYR C 20 2.152 7.030 7.527 1.00 0.00 N ATOM 287 CA TYR C 20 2.693 7.232 6.205 1.00 0.00 C ATOM 288 C TYR C 20 3.849 6.291 5.956 1.00 0.00 C ATOM 289 O TYR C 20 4.703 6.066 6.820 1.00 0.00 O ATOM 290 CB TYR C 20 3.142 8.674 6.014 1.00 0.00 C ATOM 291 CG TYR C 20 3.817 8.951 4.690 1.00 0.00 C ATOM 292 CD1 TYR C 20 3.070 9.158 3.539 1.00 0.00 C ATOM 293 CD2 TYR C 20 5.203 9.007 4.593 1.00 0.00 C ATOM 294 CE1 TYR C 20 3.682 9.413 2.329 1.00 0.00 C ATOM 295 CE2 TYR C 20 5.822 9.261 3.387 1.00 0.00 C ATOM 296 CZ TYR C 20 5.059 9.464 2.258 1.00 0.00 C ATOM 297 OH TYR C 20 5.676 9.713 1.052 1.00 0.00 O ATOM 0 H TYR C 20 2.439 7.729 8.212 1.00 0.00 H new ATOM 0 HA TYR C 20 1.904 7.019 5.484 1.00 0.00 H new ATOM 0 HB2 TYR C 20 2.274 9.327 6.108 1.00 0.00 H new ATOM 0 HB3 TYR C 20 3.828 8.937 6.819 1.00 0.00 H new ATOM 0 HD1 TYR C 20 1.992 9.119 3.591 1.00 0.00 H new ATOM 0 HD2 TYR C 20 5.804 8.849 5.476 1.00 0.00 H new ATOM 0 HE1 TYR C 20 3.086 9.572 1.442 1.00 0.00 H new ATOM 0 HE2 TYR C 20 6.900 9.301 3.328 1.00 0.00 H new ATOM 0 HH TYR C 20 6.443 9.112 0.947 1.00 0.00 H new ATOM 307 N VAL C 21 3.838 5.750 4.771 1.00 0.00 N ATOM 308 CA VAL C 21 4.840 4.797 4.324 1.00 0.00 C ATOM 309 C VAL C 21 5.029 4.895 2.812 1.00 0.00 C ATOM 310 O VAL C 21 4.068 4.820 2.041 1.00 0.00 O ATOM 311 CB VAL C 21 4.481 3.345 4.767 1.00 0.00 C ATOM 312 CG1 VAL C 21 2.976 3.157 4.863 1.00 0.00 C ATOM 313 CG2 VAL C 21 5.075 2.293 3.837 1.00 0.00 C ATOM 0 H VAL C 21 3.126 5.955 4.070 1.00 0.00 H new ATOM 0 HA VAL C 21 5.788 5.048 4.799 1.00 0.00 H new ATOM 0 HB VAL C 21 4.921 3.206 5.754 1.00 0.00 H new ATOM 0 HG11 VAL C 21 2.756 2.136 5.174 1.00 0.00 H new ATOM 0 HG12 VAL C 21 2.568 3.855 5.594 1.00 0.00 H new ATOM 0 HG13 VAL C 21 2.523 3.346 3.890 1.00 0.00 H new ATOM 0 HG21 VAL C 21 4.797 1.299 4.187 1.00 0.00 H new ATOM 0 HG22 VAL C 21 4.692 2.442 2.827 1.00 0.00 H new ATOM 0 HG23 VAL C 21 6.161 2.385 3.830 1.00 0.00 H new ATOM 323 N SER C 22 6.270 5.092 2.397 1.00 0.00 N ATOM 324 CA SER C 22 6.589 5.270 0.992 1.00 0.00 C ATOM 325 C SER C 22 6.855 3.925 0.322 1.00 0.00 C ATOM 326 O SER C 22 7.121 2.926 0.995 1.00 0.00 O ATOM 327 CB SER C 22 7.814 6.175 0.852 1.00 0.00 C ATOM 328 OG SER C 22 7.666 7.356 1.626 1.00 0.00 O ATOM 0 H SER C 22 7.077 5.133 3.019 1.00 0.00 H new ATOM 0 HA SER C 22 5.736 5.736 0.498 1.00 0.00 H new ATOM 0 HB2 SER C 22 8.707 5.637 1.171 1.00 0.00 H new ATOM 0 HB3 SER C 22 7.958 6.438 -0.196 1.00 0.00 H new ATOM 0 HG SER C 22 6.741 7.426 1.943 1.00 0.00 H new ATOM 334 N ALA C 23 6.791 3.912 -1.002 1.00 0.00 N ATOM 335 CA ALA C 23 7.007 2.705 -1.774 1.00 0.00 C ATOM 336 C ALA C 23 8.357 2.767 -2.464 1.00 0.00 C ATOM 337 O ALA C 23 8.623 3.674 -3.252 1.00 0.00 O ATOM 338 CB ALA C 23 5.900 2.519 -2.799 1.00 0.00 C ATOM 0 H ALA C 23 6.588 4.737 -1.566 1.00 0.00 H new ATOM 0 HA ALA C 23 6.993 1.851 -1.097 1.00 0.00 H new ATOM 0 HB1 ALA C 23 6.081 1.607 -3.368 1.00 0.00 H new ATOM 0 HB2 ALA C 23 4.940 2.444 -2.288 1.00 0.00 H new ATOM 0 HB3 ALA C 23 5.884 3.373 -3.477 1.00 0.00 H new ATOM 344 N LEU C 24 9.205 1.817 -2.145 1.00 0.00 N ATOM 345 CA LEU C 24 10.526 1.735 -2.741 1.00 0.00 C ATOM 346 C LEU C 24 10.620 0.493 -3.620 1.00 0.00 C ATOM 347 O LEU C 24 10.842 -0.610 -3.125 1.00 0.00 O ATOM 348 CB LEU C 24 11.618 1.686 -1.659 1.00 0.00 C ATOM 349 CG LEU C 24 11.690 2.894 -0.714 1.00 0.00 C ATOM 350 CD1 LEU C 24 10.639 2.802 0.383 1.00 0.00 C ATOM 351 CD2 LEU C 24 13.082 3.010 -0.109 1.00 0.00 C ATOM 0 H LEU C 24 9.004 1.081 -1.469 1.00 0.00 H new ATOM 0 HA LEU C 24 10.682 2.627 -3.348 1.00 0.00 H new ATOM 0 HB2 LEU C 24 11.465 0.790 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU C 24 12.584 1.578 -2.152 1.00 0.00 H new ATOM 0 HG LEU C 24 11.484 3.791 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU C 24 10.716 3.672 1.035 1.00 0.00 H new ATOM 0 HD12 LEU C 24 9.646 2.772 -0.066 1.00 0.00 H new ATOM 0 HD13 LEU C 24 10.801 1.896 0.967 1.00 0.00 H new ATOM 0 HD21 LEU C 24 13.118 3.871 0.559 1.00 0.00 H new ATOM 0 HD22 LEU C 24 13.311 2.105 0.453 1.00 0.00 H new ATOM 0 HD23 LEU C 24 13.815 3.138 -0.905 1.00 0.00 H new ATOM 363 N PRO C 25 10.433 0.649 -4.936 1.00 0.00 N ATOM 364 CA PRO C 25 10.532 -0.465 -5.880 1.00 0.00 C ATOM 365 C PRO C 25 11.907 -1.116 -5.835 1.00 0.00 C ATOM 366 O PRO C 25 12.928 -0.428 -5.815 1.00 0.00 O ATOM 367 CB PRO C 25 10.296 0.188 -7.245 1.00 0.00 C ATOM 368 CG PRO C 25 9.592 1.466 -6.946 1.00 0.00 C ATOM 369 CD PRO C 25 10.100 1.915 -5.606 1.00 0.00 C ATOM 0 HA PRO C 25 9.820 -1.259 -5.654 1.00 0.00 H new ATOM 0 HB2 PRO C 25 11.237 0.368 -7.764 1.00 0.00 H new ATOM 0 HB3 PRO C 25 9.694 -0.452 -7.890 1.00 0.00 H new ATOM 0 HG2 PRO C 25 9.798 2.214 -7.712 1.00 0.00 H new ATOM 0 HG3 PRO C 25 8.512 1.321 -6.925 1.00 0.00 H new ATOM 0 HD2 PRO C 25 10.972 2.562 -5.701 1.00 0.00 H new ATOM 0 HD3 PRO C 25 9.345 2.476 -5.056 1.00 0.00 H new ATOM 377 N ILE C 26 11.935 -2.438 -5.805 1.00 0.00 N ATOM 378 CA ILE C 26 13.191 -3.164 -5.753 1.00 0.00 C ATOM 379 C ILE C 26 13.839 -3.150 -7.133 1.00 0.00 C ATOM 380 O ILE C 26 13.539 -3.984 -7.992 1.00 0.00 O ATOM 381 CB ILE C 26 12.988 -4.615 -5.261 1.00 0.00 C ATOM 382 CG1 ILE C 26 12.131 -4.621 -3.984 1.00 0.00 C ATOM 383 CG2 ILE C 26 14.340 -5.273 -5.004 1.00 0.00 C ATOM 384 CD1 ILE C 26 11.740 -6.004 -3.495 1.00 0.00 C ATOM 0 H ILE C 26 11.103 -3.029 -5.816 1.00 0.00 H new ATOM 0 HA ILE C 26 13.848 -2.670 -5.037 1.00 0.00 H new ATOM 0 HB ILE C 26 12.467 -5.185 -6.031 1.00 0.00 H new ATOM 0 HG12 ILE C 26 12.679 -4.111 -3.192 1.00 0.00 H new ATOM 0 HG13 ILE C 26 11.224 -4.044 -4.167 1.00 0.00 H new ATOM 0 HG21 ILE C 26 14.187 -6.295 -4.658 1.00 0.00 H new ATOM 0 HG22 ILE C 26 14.920 -5.285 -5.927 1.00 0.00 H new ATOM 0 HG23 ILE C 26 14.880 -4.709 -4.244 1.00 0.00 H new ATOM 0 HD11 ILE C 26 11.138 -5.913 -2.591 1.00 0.00 H new ATOM 0 HD12 ILE C 26 11.162 -6.513 -4.267 1.00 0.00 H new ATOM 0 HD13 ILE C 26 12.639 -6.580 -3.276 1.00 0.00 H new ATOM 396 N LYS C 27 14.711 -2.171 -7.332 1.00 0.00 N ATOM 397 CA LYS C 27 15.313 -1.900 -8.629 1.00 0.00 C ATOM 398 C LYS C 27 16.309 -2.985 -9.035 1.00 0.00 C ATOM 399 O LYS C 27 16.020 -3.806 -9.904 1.00 0.00 O ATOM 400 CB LYS C 27 15.987 -0.524 -8.593 1.00 0.00 C ATOM 401 CG LYS C 27 16.881 -0.222 -9.784 1.00 0.00 C ATOM 402 CD LYS C 27 16.097 -0.042 -11.070 1.00 0.00 C ATOM 403 CE LYS C 27 17.034 0.194 -12.243 1.00 0.00 C ATOM 404 NZ LYS C 27 17.946 1.348 -12.007 1.00 0.00 N ATOM 0 H LYS C 27 15.022 -1.539 -6.594 1.00 0.00 H new ATOM 0 HA LYS C 27 14.526 -1.902 -9.383 1.00 0.00 H new ATOM 0 HB2 LYS C 27 15.214 0.242 -8.533 1.00 0.00 H new ATOM 0 HB3 LYS C 27 16.581 -0.450 -7.682 1.00 0.00 H new ATOM 0 HG2 LYS C 27 17.455 0.683 -9.583 1.00 0.00 H new ATOM 0 HG3 LYS C 27 17.598 -1.033 -9.910 1.00 0.00 H new ATOM 0 HD2 LYS C 27 15.488 -0.926 -11.257 1.00 0.00 H new ATOM 0 HD3 LYS C 27 15.413 0.801 -10.970 1.00 0.00 H new ATOM 0 HE2 LYS C 27 17.625 -0.704 -12.421 1.00 0.00 H new ATOM 0 HE3 LYS C 27 16.448 0.374 -13.144 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 18.422 1.602 -12.896 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 17.396 2.161 -11.664 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 18.658 1.088 -11.296 1.00 0.00 H new ATOM 418 N ALA C 28 17.475 -2.994 -8.410 1.00 0.00 N ATOM 419 CA ALA C 28 18.527 -3.920 -8.801 1.00 0.00 C ATOM 420 C ALA C 28 19.419 -4.277 -7.627 1.00 0.00 C ATOM 421 O ALA C 28 19.702 -3.438 -6.770 1.00 0.00 O ATOM 422 CB ALA C 28 19.358 -3.327 -9.929 1.00 0.00 C ATOM 0 H ALA C 28 17.717 -2.376 -7.635 1.00 0.00 H new ATOM 0 HA ALA C 28 18.051 -4.836 -9.150 1.00 0.00 H new ATOM 0 HB1 ALA C 28 20.142 -4.030 -10.212 1.00 0.00 H new ATOM 0 HB2 ALA C 28 18.717 -3.132 -10.789 1.00 0.00 H new ATOM 0 HB3 ALA C 28 19.811 -2.394 -9.595 1.00 0.00 H new ATOM 428 N ILE C 29 19.859 -5.524 -7.600 1.00 0.00 N ATOM 429 CA ILE C 29 20.745 -6.009 -6.557 1.00 0.00 C ATOM 430 C ILE C 29 21.845 -6.865 -7.165 1.00 0.00 C ATOM 431 O ILE C 29 21.618 -7.592 -8.133 1.00 0.00 O ATOM 432 CB ILE C 29 19.969 -6.828 -5.483 1.00 0.00 C ATOM 433 CG1 ILE C 29 19.028 -5.926 -4.677 1.00 0.00 C ATOM 434 CG2 ILE C 29 20.924 -7.551 -4.539 1.00 0.00 C ATOM 435 CD1 ILE C 29 17.929 -6.680 -3.961 1.00 0.00 C ATOM 0 H ILE C 29 19.613 -6.226 -8.298 1.00 0.00 H new ATOM 0 HA ILE C 29 21.187 -5.143 -6.065 1.00 0.00 H new ATOM 0 HB ILE C 29 19.375 -7.573 -6.013 1.00 0.00 H new ATOM 0 HG12 ILE C 29 19.612 -5.369 -3.944 1.00 0.00 H new ATOM 0 HG13 ILE C 29 18.577 -5.194 -5.348 1.00 0.00 H new ATOM 0 HG21 ILE C 29 20.351 -8.113 -3.802 1.00 0.00 H new ATOM 0 HG22 ILE C 29 21.551 -8.236 -5.110 1.00 0.00 H new ATOM 0 HG23 ILE C 29 21.554 -6.822 -4.030 1.00 0.00 H new ATOM 0 HD11 ILE C 29 17.303 -5.976 -3.412 1.00 0.00 H new ATOM 0 HD12 ILE C 29 17.320 -7.215 -4.690 1.00 0.00 H new ATOM 0 HD13 ILE C 29 18.371 -7.393 -3.264 1.00 0.00 H new ATOM 447 N LYS C 30 23.028 -6.762 -6.596 1.00 0.00 N ATOM 448 CA LYS C 30 24.163 -7.525 -7.036 1.00 0.00 C ATOM 449 C LYS C 30 24.809 -8.149 -5.822 1.00 0.00 C ATOM 450 O LYS C 30 24.796 -7.583 -4.730 1.00 0.00 O ATOM 451 CB LYS C 30 25.158 -6.658 -7.818 1.00 0.00 C ATOM 452 CG LYS C 30 25.725 -5.486 -7.036 1.00 0.00 C ATOM 453 CD LYS C 30 26.592 -4.601 -7.917 1.00 0.00 C ATOM 454 CE LYS C 30 27.862 -5.314 -8.362 1.00 0.00 C ATOM 455 NZ LYS C 30 28.905 -5.320 -7.302 1.00 0.00 N ATOM 0 H LYS C 30 23.224 -6.141 -5.811 1.00 0.00 H new ATOM 0 HA LYS C 30 23.836 -8.306 -7.722 1.00 0.00 H new ATOM 0 HB2 LYS C 30 25.983 -7.287 -8.154 1.00 0.00 H new ATOM 0 HB3 LYS C 30 24.664 -6.277 -8.712 1.00 0.00 H new ATOM 0 HG2 LYS C 30 24.909 -4.897 -6.617 1.00 0.00 H new ATOM 0 HG3 LYS C 30 26.314 -5.857 -6.197 1.00 0.00 H new ATOM 0 HD2 LYS C 30 26.023 -4.292 -8.794 1.00 0.00 H new ATOM 0 HD3 LYS C 30 26.856 -3.694 -7.373 1.00 0.00 H new ATOM 0 HE2 LYS C 30 27.622 -6.341 -8.639 1.00 0.00 H new ATOM 0 HE3 LYS C 30 28.256 -4.827 -9.254 1.00 0.00 H new ATOM 0 HZ1 LYS C 30 29.774 -4.880 -7.667 1.00 0.00 H new ATOM 0 HZ2 LYS C 30 28.566 -4.784 -6.478 1.00 0.00 H new ATOM 0 HZ3 LYS C 30 29.106 -6.300 -7.018 1.00 0.00 H new ATOM 469 N TYR C 31 25.362 -9.307 -6.027 1.00 0.00 N ATOM 470 CA TYR C 31 25.792 -10.162 -4.939 1.00 0.00 C ATOM 471 C TYR C 31 27.302 -10.255 -4.869 1.00 0.00 C ATOM 472 O TYR C 31 27.984 -10.434 -5.879 1.00 0.00 O ATOM 473 CB TYR C 31 25.179 -11.554 -5.090 1.00 0.00 C ATOM 474 CG TYR C 31 23.668 -11.550 -5.008 1.00 0.00 C ATOM 475 CD1 TYR C 31 22.891 -11.368 -6.146 1.00 0.00 C ATOM 476 CD2 TYR C 31 23.021 -11.721 -3.792 1.00 0.00 C ATOM 477 CE1 TYR C 31 21.512 -11.357 -6.071 1.00 0.00 C ATOM 478 CE2 TYR C 31 21.642 -11.713 -3.711 1.00 0.00 C ATOM 479 CZ TYR C 31 20.893 -11.529 -4.853 1.00 0.00 C ATOM 480 OH TYR C 31 19.519 -11.525 -4.776 1.00 0.00 O ATOM 0 H TYR C 31 25.532 -9.695 -6.955 1.00 0.00 H new ATOM 0 HA TYR C 31 25.445 -9.718 -4.006 1.00 0.00 H new ATOM 0 HB2 TYR C 31 25.484 -11.977 -6.047 1.00 0.00 H new ATOM 0 HB3 TYR C 31 25.577 -12.206 -4.313 1.00 0.00 H new ATOM 0 HD1 TYR C 31 23.373 -11.233 -7.103 1.00 0.00 H new ATOM 0 HD2 TYR C 31 23.605 -11.863 -2.895 1.00 0.00 H new ATOM 0 HE1 TYR C 31 20.922 -11.214 -6.964 1.00 0.00 H new ATOM 0 HE2 TYR C 31 21.153 -11.850 -2.758 1.00 0.00 H new ATOM 0 HH TYR C 31 19.143 -11.863 -5.615 1.00 0.00 H new ATOM 490 N ALA C 32 27.809 -10.115 -3.663 1.00 0.00 N ATOM 491 CA ALA C 32 29.218 -10.221 -3.391 1.00 0.00 C ATOM 492 C ALA C 32 29.506 -11.572 -2.769 1.00 0.00 C ATOM 493 O ALA C 32 28.729 -12.077 -1.955 1.00 0.00 O ATOM 494 CB ALA C 32 29.659 -9.096 -2.469 1.00 0.00 C ATOM 0 H ALA C 32 27.243 -9.922 -2.836 1.00 0.00 H new ATOM 0 HA ALA C 32 29.779 -10.133 -4.322 1.00 0.00 H new ATOM 0 HB1 ALA C 32 30.727 -9.186 -2.270 1.00 0.00 H new ATOM 0 HB2 ALA C 32 29.458 -8.136 -2.945 1.00 0.00 H new ATOM 0 HB3 ALA C 32 29.108 -9.158 -1.530 1.00 0.00 H new ATOM 500 N ASN C 33 30.626 -12.141 -3.165 1.00 0.00 N ATOM 501 CA ASN C 33 31.004 -13.501 -2.775 1.00 0.00 C ATOM 502 C ASN C 33 31.243 -13.624 -1.271 1.00 0.00 C ATOM 503 O ASN C 33 31.295 -14.730 -0.738 1.00 0.00 O ATOM 504 CB ASN C 33 32.251 -13.967 -3.542 1.00 0.00 C ATOM 505 CG ASN C 33 33.538 -13.313 -3.062 1.00 0.00 C ATOM 506 OD1 ASN C 33 34.192 -13.803 -2.141 1.00 0.00 O ATOM 507 ND2 ASN C 33 33.923 -12.216 -3.694 1.00 0.00 N ATOM 0 H ASN C 33 31.307 -11.680 -3.768 1.00 0.00 H new ATOM 0 HA ASN C 33 30.164 -14.146 -3.034 1.00 0.00 H new ATOM 0 HB2 ASN C 33 32.344 -15.049 -3.445 1.00 0.00 H new ATOM 0 HB3 ASN C 33 32.117 -13.752 -4.602 1.00 0.00 H new ATOM 0 HD21 ASN C 33 34.787 -11.748 -3.422 1.00 0.00 H new ATOM 0 HD22 ASN C 33 33.355 -11.839 -4.453 1.00 0.00 H new ATOM 514 N ASP C 34 31.389 -12.492 -0.588 1.00 0.00 N ATOM 515 CA ASP C 34 31.579 -12.501 0.860 1.00 0.00 C ATOM 516 C ASP C 34 30.242 -12.647 1.578 1.00 0.00 C ATOM 517 O ASP C 34 30.196 -12.865 2.788 1.00 0.00 O ATOM 518 CB ASP C 34 32.289 -11.228 1.334 1.00 0.00 C ATOM 519 CG ASP C 34 31.475 -9.969 1.103 1.00 0.00 C ATOM 520 OD1 ASP C 34 31.796 -9.218 0.157 1.00 0.00 O ATOM 521 OD2 ASP C 34 30.522 -9.717 1.868 1.00 0.00 O ATOM 0 H ASP C 34 31.380 -11.563 -1.010 1.00 0.00 H new ATOM 0 HA ASP C 34 32.208 -13.357 1.104 1.00 0.00 H new ATOM 0 HB2 ASP C 34 32.512 -11.319 2.397 1.00 0.00 H new ATOM 0 HB3 ASP C 34 33.243 -11.137 0.814 1.00 0.00 H new ATOM 526 N GLY C 35 29.156 -12.528 0.826 1.00 0.00 N ATOM 527 CA GLY C 35 27.834 -12.663 1.405 1.00 0.00 C ATOM 528 C GLY C 35 27.020 -11.391 1.289 1.00 0.00 C ATOM 529 O GLY C 35 25.798 -11.440 1.132 1.00 0.00 O ATOM 0 H GLY C 35 29.167 -12.340 -0.176 1.00 0.00 H new ATOM 0 HA2 GLY C 35 27.304 -13.476 0.909 1.00 0.00 H new ATOM 0 HA3 GLY C 35 27.927 -12.937 2.456 1.00 0.00 H new ATOM 533 N SER C 36 27.699 -10.255 1.375 1.00 0.00 N ATOM 534 CA SER C 36 27.055 -8.952 1.272 1.00 0.00 C ATOM 535 C SER C 36 26.449 -8.754 -0.120 1.00 0.00 C ATOM 536 O SER C 36 26.765 -9.487 -1.060 1.00 0.00 O ATOM 537 CB SER C 36 28.079 -7.851 1.570 1.00 0.00 C ATOM 538 OG SER C 36 27.479 -6.566 1.627 1.00 0.00 O ATOM 0 H SER C 36 28.708 -10.210 1.518 1.00 0.00 H new ATOM 0 HA SER C 36 26.246 -8.899 2.001 1.00 0.00 H new ATOM 0 HB2 SER C 36 28.573 -8.063 2.518 1.00 0.00 H new ATOM 0 HB3 SER C 36 28.851 -7.856 0.801 1.00 0.00 H new ATOM 0 HG SER C 36 26.567 -6.646 1.977 1.00 0.00 H new ATOM 544 N ALA C 37 25.574 -7.768 -0.240 1.00 0.00 N ATOM 545 CA ALA C 37 24.936 -7.466 -1.509 1.00 0.00 C ATOM 546 C ALA C 37 24.783 -5.962 -1.683 1.00 0.00 C ATOM 547 O ALA C 37 24.584 -5.237 -0.711 1.00 0.00 O ATOM 548 CB ALA C 37 23.581 -8.153 -1.602 1.00 0.00 C ATOM 0 H ALA C 37 25.290 -7.162 0.530 1.00 0.00 H new ATOM 0 HA ALA C 37 25.570 -7.844 -2.311 1.00 0.00 H new ATOM 0 HB1 ALA C 37 23.118 -7.915 -2.560 1.00 0.00 H new ATOM 0 HB2 ALA C 37 23.714 -9.232 -1.521 1.00 0.00 H new ATOM 0 HB3 ALA C 37 22.940 -7.804 -0.792 1.00 0.00 H new ATOM 554 N ASN C 38 24.893 -5.509 -2.924 1.00 0.00 N ATOM 555 CA ASN C 38 24.749 -4.099 -3.254 1.00 0.00 C ATOM 556 C ASN C 38 23.415 -3.874 -3.945 1.00 0.00 C ATOM 557 O ASN C 38 23.122 -4.503 -4.961 1.00 0.00 O ATOM 558 CB ASN C 38 25.898 -3.647 -4.159 1.00 0.00 C ATOM 559 CG ASN C 38 25.767 -2.206 -4.613 1.00 0.00 C ATOM 560 OD1 ASN C 38 26.258 -1.291 -3.959 1.00 0.00 O ATOM 561 ND2 ASN C 38 25.113 -1.998 -5.744 1.00 0.00 N ATOM 0 H ASN C 38 25.084 -6.107 -3.728 1.00 0.00 H new ATOM 0 HA ASN C 38 24.781 -3.511 -2.337 1.00 0.00 H new ATOM 0 HB2 ASN C 38 26.841 -3.770 -3.627 1.00 0.00 H new ATOM 0 HB3 ASN C 38 25.939 -4.295 -5.034 1.00 0.00 H new ATOM 0 HD21 ASN C 38 25.002 -1.049 -6.102 1.00 0.00 H new ATOM 0 HD22 ASN C 38 24.720 -2.786 -6.258 1.00 0.00 H new ATOM 568 N ALA C 39 22.613 -2.985 -3.394 1.00 0.00 N ATOM 569 CA ALA C 39 21.261 -2.780 -3.881 1.00 0.00 C ATOM 570 C ALA C 39 21.037 -1.356 -4.375 1.00 0.00 C ATOM 571 O ALA C 39 21.947 -0.537 -4.380 1.00 0.00 O ATOM 572 CB ALA C 39 20.260 -3.148 -2.794 1.00 0.00 C ATOM 0 H ALA C 39 22.874 -2.391 -2.607 1.00 0.00 H new ATOM 0 HA ALA C 39 21.110 -3.434 -4.740 1.00 0.00 H new ATOM 0 HB1 ALA C 39 19.247 -2.992 -3.165 1.00 0.00 H new ATOM 0 HB2 ALA C 39 20.389 -4.195 -2.520 1.00 0.00 H new ATOM 0 HB3 ALA C 39 20.426 -2.520 -1.918 1.00 0.00 H new ATOM 578 N GLU C 40 19.858 -1.113 -4.911 1.00 0.00 N ATOM 579 CA GLU C 40 19.371 0.235 -5.150 1.00 0.00 C ATOM 580 C GLU C 40 17.859 0.165 -5.296 1.00 0.00 C ATOM 581 O GLU C 40 17.336 -0.824 -5.817 1.00 0.00 O ATOM 582 CB GLU C 40 20.005 0.842 -6.411 1.00 0.00 C ATOM 583 CG GLU C 40 19.847 -0.020 -7.658 1.00 0.00 C ATOM 584 CD GLU C 40 20.467 0.607 -8.890 1.00 0.00 C ATOM 585 OE1 GLU C 40 21.701 0.801 -8.905 1.00 0.00 O ATOM 586 OE2 GLU C 40 19.731 0.888 -9.862 1.00 0.00 O ATOM 0 H GLU C 40 19.207 -1.845 -5.195 1.00 0.00 H new ATOM 0 HA GLU C 40 19.645 0.878 -4.314 1.00 0.00 H new ATOM 0 HB2 GLU C 40 19.557 1.818 -6.597 1.00 0.00 H new ATOM 0 HB3 GLU C 40 21.067 1.008 -6.228 1.00 0.00 H new ATOM 0 HG2 GLU C 40 20.306 -0.993 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU C 40 18.787 -0.196 -7.840 1.00 0.00 H new ATOM 593 N PHE C 41 17.147 1.173 -4.822 1.00 0.00 N ATOM 594 CA PHE C 41 15.693 1.134 -4.888 1.00 0.00 C ATOM 595 C PHE C 41 15.135 2.248 -5.756 1.00 0.00 C ATOM 596 O PHE C 41 15.784 3.272 -5.955 1.00 0.00 O ATOM 597 CB PHE C 41 15.091 1.186 -3.484 1.00 0.00 C ATOM 598 CG PHE C 41 15.336 -0.071 -2.700 1.00 0.00 C ATOM 599 CD1 PHE C 41 14.445 -1.128 -2.772 1.00 0.00 C ATOM 600 CD2 PHE C 41 16.462 -0.201 -1.905 1.00 0.00 C ATOM 601 CE1 PHE C 41 14.672 -2.292 -2.064 1.00 0.00 C ATOM 602 CE2 PHE C 41 16.693 -1.362 -1.195 1.00 0.00 C ATOM 603 CZ PHE C 41 15.797 -2.409 -1.274 1.00 0.00 C ATOM 0 H PHE C 41 17.539 2.012 -4.396 1.00 0.00 H new ATOM 0 HA PHE C 41 15.411 0.190 -5.354 1.00 0.00 H new ATOM 0 HB2 PHE C 41 15.512 2.034 -2.944 1.00 0.00 H new ATOM 0 HB3 PHE C 41 14.017 1.358 -3.560 1.00 0.00 H new ATOM 0 HD1 PHE C 41 13.563 -1.042 -3.389 1.00 0.00 H new ATOM 0 HD2 PHE C 41 17.167 0.615 -1.840 1.00 0.00 H new ATOM 0 HE1 PHE C 41 13.970 -3.110 -2.129 1.00 0.00 H new ATOM 0 HE2 PHE C 41 17.575 -1.451 -0.578 1.00 0.00 H new ATOM 0 HZ PHE C 41 15.976 -3.318 -0.719 1.00 0.00 H new ATOM 613 N ASP C 42 13.937 2.004 -6.289 1.00 0.00 N ATOM 614 CA ASP C 42 13.192 2.963 -7.115 1.00 0.00 C ATOM 615 C ASP C 42 13.858 3.186 -8.465 1.00 0.00 C ATOM 616 O ASP C 42 13.306 2.846 -9.511 1.00 0.00 O ATOM 617 CB ASP C 42 13.004 4.295 -6.381 1.00 0.00 C ATOM 618 CG ASP C 42 12.061 5.230 -7.113 1.00 0.00 C ATOM 619 OD1 ASP C 42 12.538 6.083 -7.886 1.00 0.00 O ATOM 620 OD2 ASP C 42 10.833 5.118 -6.915 1.00 0.00 O ATOM 0 H ASP C 42 13.446 1.120 -6.158 1.00 0.00 H new ATOM 0 HA ASP C 42 12.209 2.529 -7.299 1.00 0.00 H new ATOM 0 HB2 ASP C 42 12.617 4.104 -5.380 1.00 0.00 H new ATOM 0 HB3 ASP C 42 13.972 4.781 -6.261 1.00 0.00 H new ATOM 625 N GLY C 43 15.046 3.732 -8.422 1.00 0.00 N ATOM 626 CA GLY C 43 15.780 4.054 -9.626 1.00 0.00 C ATOM 627 C GLY C 43 16.895 5.039 -9.350 1.00 0.00 C ATOM 628 O GLY C 43 18.068 4.665 -9.351 1.00 0.00 O ATOM 0 H GLY C 43 15.533 3.966 -7.557 1.00 0.00 H new ATOM 0 HA2 GLY C 43 16.197 3.142 -10.054 1.00 0.00 H new ATOM 0 HA3 GLY C 43 15.099 4.472 -10.367 1.00 0.00 H new ATOM 632 N PRO C 44 16.559 6.315 -9.106 1.00 0.00 N ATOM 633 CA PRO C 44 17.540 7.337 -8.744 1.00 0.00 C ATOM 634 C PRO C 44 17.940 7.263 -7.271 1.00 0.00 C ATOM 635 O PRO C 44 18.810 8.007 -6.814 1.00 0.00 O ATOM 636 CB PRO C 44 16.803 8.643 -9.039 1.00 0.00 C ATOM 637 CG PRO C 44 15.365 8.321 -8.824 1.00 0.00 C ATOM 638 CD PRO C 44 15.193 6.872 -9.198 1.00 0.00 C ATOM 0 HA PRO C 44 18.475 7.225 -9.293 1.00 0.00 H new ATOM 0 HB2 PRO C 44 17.133 9.443 -8.376 1.00 0.00 H new ATOM 0 HB3 PRO C 44 16.985 8.979 -10.060 1.00 0.00 H new ATOM 0 HG2 PRO C 44 15.080 8.490 -7.786 1.00 0.00 H new ATOM 0 HG3 PRO C 44 14.728 8.959 -9.437 1.00 0.00 H new ATOM 0 HD2 PRO C 44 14.508 6.363 -8.520 1.00 0.00 H new ATOM 0 HD3 PRO C 44 14.785 6.765 -10.203 1.00 0.00 H new ATOM 646 N TYR C 45 17.301 6.367 -6.533 1.00 0.00 N ATOM 647 CA TYR C 45 17.605 6.178 -5.121 1.00 0.00 C ATOM 648 C TYR C 45 18.773 5.215 -4.953 1.00 0.00 C ATOM 649 O TYR C 45 19.039 4.378 -5.819 1.00 0.00 O ATOM 650 CB TYR C 45 16.381 5.654 -4.364 1.00 0.00 C ATOM 651 CG TYR C 45 15.309 6.692 -4.120 1.00 0.00 C ATOM 652 CD1 TYR C 45 15.008 7.104 -2.830 1.00 0.00 C ATOM 653 CD2 TYR C 45 14.600 7.259 -5.172 1.00 0.00 C ATOM 654 CE1 TYR C 45 14.032 8.052 -2.594 1.00 0.00 C ATOM 655 CE2 TYR C 45 13.622 8.207 -4.944 1.00 0.00 C ATOM 656 CZ TYR C 45 13.343 8.599 -3.653 1.00 0.00 C ATOM 657 OH TYR C 45 12.376 9.548 -3.417 1.00 0.00 O ATOM 0 H TYR C 45 16.566 5.757 -6.890 1.00 0.00 H new ATOM 0 HA TYR C 45 17.881 7.146 -4.703 1.00 0.00 H new ATOM 0 HB2 TYR C 45 15.948 4.826 -4.926 1.00 0.00 H new ATOM 0 HB3 TYR C 45 16.706 5.252 -3.404 1.00 0.00 H new ATOM 0 HD1 TYR C 45 15.546 6.676 -1.997 1.00 0.00 H new ATOM 0 HD2 TYR C 45 14.817 6.953 -6.185 1.00 0.00 H new ATOM 0 HE1 TYR C 45 13.810 8.363 -1.584 1.00 0.00 H new ATOM 0 HE2 TYR C 45 13.079 8.638 -5.772 1.00 0.00 H new ATOM 0 HH TYR C 45 11.984 9.835 -4.268 1.00 0.00 H new ATOM 667 N ALA C 46 19.459 5.343 -3.833 1.00 0.00 N ATOM 668 CA ALA C 46 20.643 4.553 -3.554 1.00 0.00 C ATOM 669 C ALA C 46 20.315 3.382 -2.635 1.00 0.00 C ATOM 670 O ALA C 46 19.141 3.125 -2.334 1.00 0.00 O ATOM 671 CB ALA C 46 21.698 5.446 -2.914 1.00 0.00 C ATOM 0 H ALA C 46 19.211 5.998 -3.091 1.00 0.00 H new ATOM 0 HA ALA C 46 21.025 4.144 -4.490 1.00 0.00 H new ATOM 0 HB1 ALA C 46 22.591 4.859 -2.701 1.00 0.00 H new ATOM 0 HB2 ALA C 46 21.951 6.257 -3.597 1.00 0.00 H new ATOM 0 HB3 ALA C 46 21.308 5.862 -1.985 1.00 0.00 H new ATOM 677 N ASP C 47 21.361 2.668 -2.224 1.00 0.00 N ATOM 678 CA ASP C 47 21.262 1.636 -1.194 1.00 0.00 C ATOM 679 C ASP C 47 22.652 1.096 -0.848 1.00 0.00 C ATOM 680 O ASP C 47 23.116 1.239 0.282 1.00 0.00 O ATOM 681 CB ASP C 47 20.349 0.482 -1.601 1.00 0.00 C ATOM 682 CG ASP C 47 20.001 -0.385 -0.407 1.00 0.00 C ATOM 683 OD1 ASP C 47 20.604 -1.461 -0.249 1.00 0.00 O ATOM 684 OD2 ASP C 47 19.136 0.028 0.399 1.00 0.00 O ATOM 0 H ASP C 47 22.303 2.789 -2.597 1.00 0.00 H new ATOM 0 HA ASP C 47 20.818 2.109 -0.318 1.00 0.00 H new ATOM 0 HB2 ASP C 47 19.436 0.876 -2.047 1.00 0.00 H new ATOM 0 HB3 ASP C 47 20.840 -0.123 -2.363 1.00 0.00 H new ATOM 689 N GLN C 48 23.297 0.477 -1.842 1.00 0.00 N ATOM 690 CA GLN C 48 24.674 -0.015 -1.745 1.00 0.00 C ATOM 691 C GLN C 48 24.758 -1.286 -0.924 1.00 0.00 C ATOM 692 O GLN C 48 23.766 -1.996 -0.768 1.00 0.00 O ATOM 693 CB GLN C 48 25.619 1.046 -1.193 1.00 0.00 C ATOM 694 CG GLN C 48 26.147 2.012 -2.249 1.00 0.00 C ATOM 695 CD GLN C 48 25.081 2.529 -3.197 1.00 0.00 C ATOM 696 OE1 GLN C 48 24.462 3.640 -2.845 1.00 0.00 O flip ATOM 697 NE2 GLN C 48 24.819 1.937 -4.247 1.00 0.00 N flip ATOM 0 H GLN C 48 22.869 0.301 -2.751 1.00 0.00 H new ATOM 0 HA GLN C 48 24.994 -0.249 -2.760 1.00 0.00 H new ATOM 0 HB2 GLN C 48 25.100 1.615 -0.421 1.00 0.00 H new ATOM 0 HB3 GLN C 48 26.463 0.552 -0.712 1.00 0.00 H new ATOM 0 HG2 GLN C 48 26.617 2.859 -1.750 1.00 0.00 H new ATOM 0 HG3 GLN C 48 26.923 1.513 -2.828 1.00 0.00 H new ATOM 0 HE21 GLN C 48 25.318 1.080 -4.488 1.00 0.00 H new ATOM 0 HE22 GLN C 48 24.104 2.304 -4.875 1.00 0.00 H new ATOM 706 N TYR C 49 25.944 -1.586 -0.416 1.00 0.00 N ATOM 707 CA TYR C 49 26.171 -2.849 0.241 1.00 0.00 C ATOM 708 C TYR C 49 25.548 -2.901 1.629 1.00 0.00 C ATOM 709 O TYR C 49 25.563 -1.920 2.377 1.00 0.00 O ATOM 710 CB TYR C 49 27.664 -3.171 0.313 1.00 0.00 C ATOM 711 CG TYR C 49 28.267 -3.563 -1.018 1.00 0.00 C ATOM 712 CD1 TYR C 49 28.914 -2.630 -1.818 1.00 0.00 C ATOM 713 CD2 TYR C 49 28.184 -4.872 -1.473 1.00 0.00 C ATOM 714 CE1 TYR C 49 29.460 -2.992 -3.036 1.00 0.00 C ATOM 715 CE2 TYR C 49 28.728 -5.241 -2.688 1.00 0.00 C ATOM 716 CZ TYR C 49 29.363 -4.298 -3.465 1.00 0.00 C ATOM 717 OH TYR C 49 29.900 -4.663 -4.678 1.00 0.00 O ATOM 0 H TYR C 49 26.756 -0.970 -0.449 1.00 0.00 H new ATOM 0 HA TYR C 49 25.678 -3.609 -0.365 1.00 0.00 H new ATOM 0 HB2 TYR C 49 28.196 -2.302 0.701 1.00 0.00 H new ATOM 0 HB3 TYR C 49 27.818 -3.982 1.024 1.00 0.00 H new ATOM 0 HD1 TYR C 49 28.992 -1.606 -1.484 1.00 0.00 H new ATOM 0 HD2 TYR C 49 27.686 -5.614 -0.867 1.00 0.00 H new ATOM 0 HE1 TYR C 49 29.960 -2.255 -3.648 1.00 0.00 H new ATOM 0 HE2 TYR C 49 28.656 -6.264 -3.027 1.00 0.00 H new ATOM 0 HH TYR C 49 29.746 -5.619 -4.829 1.00 0.00 H new ATOM 727 N MET C 50 24.989 -4.055 1.952 1.00 0.00 N ATOM 728 CA MET C 50 24.397 -4.293 3.257 1.00 0.00 C ATOM 729 C MET C 50 24.941 -5.599 3.830 1.00 0.00 C ATOM 730 O MET C 50 25.273 -6.518 3.077 1.00 0.00 O ATOM 731 CB MET C 50 22.869 -4.349 3.137 1.00 0.00 C ATOM 732 CG MET C 50 22.149 -4.514 4.467 1.00 0.00 C ATOM 733 SD MET C 50 20.363 -4.283 4.336 1.00 0.00 S ATOM 734 CE MET C 50 19.929 -5.522 3.117 1.00 0.00 C ATOM 0 H MET C 50 24.933 -4.852 1.318 1.00 0.00 H new ATOM 0 HA MET C 50 24.657 -3.477 3.931 1.00 0.00 H new ATOM 0 HB2 MET C 50 22.519 -3.435 2.657 1.00 0.00 H new ATOM 0 HB3 MET C 50 22.596 -5.177 2.483 1.00 0.00 H new ATOM 0 HG2 MET C 50 22.353 -5.509 4.863 1.00 0.00 H new ATOM 0 HG3 MET C 50 22.551 -3.797 5.183 1.00 0.00 H new ATOM 0 HE1 MET C 50 18.845 -5.567 3.014 1.00 0.00 H new ATOM 0 HE2 MET C 50 20.374 -5.259 2.157 1.00 0.00 H new ATOM 0 HE3 MET C 50 20.304 -6.494 3.437 1.00 0.00 H new ATOM 744 N SER C 51 25.051 -5.660 5.154 1.00 0.00 N ATOM 745 CA SER C 51 25.567 -6.833 5.855 1.00 0.00 C ATOM 746 C SER C 51 24.851 -8.114 5.424 1.00 0.00 C ATOM 747 O SER C 51 23.631 -8.149 5.273 1.00 0.00 O ATOM 748 CB SER C 51 25.409 -6.610 7.355 1.00 0.00 C ATOM 749 OG SER C 51 24.397 -5.649 7.609 1.00 0.00 O ATOM 0 H SER C 51 24.784 -4.895 5.774 1.00 0.00 H new ATOM 0 HA SER C 51 26.620 -6.960 5.602 1.00 0.00 H new ATOM 0 HB2 SER C 51 25.157 -7.551 7.844 1.00 0.00 H new ATOM 0 HB3 SER C 51 26.354 -6.273 7.780 1.00 0.00 H new ATOM 0 HG SER C 51 24.413 -5.399 8.557 1.00 0.00 H new ATOM 755 N ALA C 52 25.651 -9.164 5.232 1.00 0.00 N ATOM 756 CA ALA C 52 25.188 -10.441 4.702 1.00 0.00 C ATOM 757 C ALA C 52 24.116 -11.086 5.563 1.00 0.00 C ATOM 758 O ALA C 52 23.157 -11.640 5.032 1.00 0.00 O ATOM 759 CB ALA C 52 26.363 -11.390 4.541 1.00 0.00 C ATOM 0 H ALA C 52 26.649 -9.148 5.443 1.00 0.00 H new ATOM 0 HA ALA C 52 24.735 -10.237 3.732 1.00 0.00 H new ATOM 0 HB1 ALA C 52 26.010 -12.342 4.145 1.00 0.00 H new ATOM 0 HB2 ALA C 52 27.089 -10.957 3.853 1.00 0.00 H new ATOM 0 HB3 ALA C 52 26.835 -11.553 5.510 1.00 0.00 H new ATOM 765 N GLN C 53 24.280 -11.028 6.880 1.00 0.00 N ATOM 766 CA GLN C 53 23.275 -11.573 7.786 1.00 0.00 C ATOM 767 C GLN C 53 21.960 -10.828 7.593 1.00 0.00 C ATOM 768 O GLN C 53 20.872 -11.409 7.658 1.00 0.00 O ATOM 769 CB GLN C 53 23.740 -11.479 9.246 1.00 0.00 C ATOM 770 CG GLN C 53 23.958 -10.058 9.743 1.00 0.00 C ATOM 771 CD GLN C 53 24.389 -10.007 11.196 1.00 0.00 C ATOM 772 OE1 GLN C 53 23.559 -9.948 12.102 1.00 0.00 O ATOM 773 NE2 GLN C 53 25.689 -10.024 11.430 1.00 0.00 N ATOM 0 H GLN C 53 25.090 -10.614 7.341 1.00 0.00 H new ATOM 0 HA GLN C 53 23.128 -12.628 7.554 1.00 0.00 H new ATOM 0 HB2 GLN C 53 23.000 -11.965 9.883 1.00 0.00 H new ATOM 0 HB3 GLN C 53 24.670 -12.037 9.355 1.00 0.00 H new ATOM 0 HG2 GLN C 53 24.715 -9.574 9.126 1.00 0.00 H new ATOM 0 HG3 GLN C 53 23.036 -9.489 9.621 1.00 0.00 H new ATOM 0 HE21 GLN C 53 26.347 -10.074 10.652 1.00 0.00 H new ATOM 0 HE22 GLN C 53 26.035 -9.988 12.389 1.00 0.00 H new ATOM 782 N THR C 54 22.077 -9.544 7.290 1.00 0.00 N ATOM 783 CA THR C 54 20.922 -8.700 7.093 1.00 0.00 C ATOM 784 C THR C 54 20.290 -9.012 5.745 1.00 0.00 C ATOM 785 O THR C 54 19.072 -9.111 5.622 1.00 0.00 O ATOM 786 CB THR C 54 21.312 -7.213 7.159 1.00 0.00 C ATOM 787 OG1 THR C 54 22.188 -7.000 8.272 1.00 0.00 O ATOM 788 CG2 THR C 54 20.082 -6.330 7.307 1.00 0.00 C ATOM 0 H THR C 54 22.971 -9.066 7.176 1.00 0.00 H new ATOM 0 HA THR C 54 20.204 -8.899 7.889 1.00 0.00 H new ATOM 0 HB THR C 54 21.816 -6.948 6.229 1.00 0.00 H new ATOM 0 HG1 THR C 54 22.931 -6.423 7.998 1.00 0.00 H new ATOM 0 HG21 THR C 54 20.388 -5.285 7.351 1.00 0.00 H new ATOM 0 HG22 THR C 54 19.422 -6.479 6.453 1.00 0.00 H new ATOM 0 HG23 THR C 54 19.554 -6.592 8.224 1.00 0.00 H new ATOM 796 N VAL C 55 21.136 -9.220 4.744 1.00 0.00 N ATOM 797 CA VAL C 55 20.668 -9.517 3.398 1.00 0.00 C ATOM 798 C VAL C 55 20.014 -10.889 3.353 1.00 0.00 C ATOM 799 O VAL C 55 19.124 -11.128 2.560 1.00 0.00 O ATOM 800 CB VAL C 55 21.828 -9.458 2.360 1.00 0.00 C ATOM 801 CG1 VAL C 55 21.432 -10.043 0.996 1.00 0.00 C ATOM 802 CG2 VAL C 55 22.322 -8.031 2.195 1.00 0.00 C ATOM 0 H VAL C 55 22.151 -9.188 4.840 1.00 0.00 H new ATOM 0 HA VAL C 55 19.934 -8.755 3.134 1.00 0.00 H new ATOM 0 HB VAL C 55 22.634 -10.078 2.753 1.00 0.00 H new ATOM 0 HG11 VAL C 55 22.278 -9.976 0.312 1.00 0.00 H new ATOM 0 HG12 VAL C 55 21.145 -11.088 1.117 1.00 0.00 H new ATOM 0 HG13 VAL C 55 20.591 -9.481 0.589 1.00 0.00 H new ATOM 0 HG21 VAL C 55 23.132 -8.008 1.466 1.00 0.00 H new ATOM 0 HG22 VAL C 55 21.504 -7.401 1.847 1.00 0.00 H new ATOM 0 HG23 VAL C 55 22.685 -7.659 3.153 1.00 0.00 H new ATOM 812 N ALA C 56 20.438 -11.778 4.231 1.00 0.00 N ATOM 813 CA ALA C 56 19.913 -13.131 4.245 1.00 0.00 C ATOM 814 C ALA C 56 18.442 -13.141 4.620 1.00 0.00 C ATOM 815 O ALA C 56 17.683 -13.992 4.158 1.00 0.00 O ATOM 816 CB ALA C 56 20.714 -14.007 5.194 1.00 0.00 C ATOM 0 H ALA C 56 21.143 -11.589 4.943 1.00 0.00 H new ATOM 0 HA ALA C 56 20.007 -13.539 3.239 1.00 0.00 H new ATOM 0 HB1 ALA C 56 20.304 -15.017 5.190 1.00 0.00 H new ATOM 0 HB2 ALA C 56 21.755 -14.036 4.871 1.00 0.00 H new ATOM 0 HB3 ALA C 56 20.658 -13.597 6.202 1.00 0.00 H new ATOM 822 N VAL C 57 18.034 -12.196 5.454 1.00 0.00 N ATOM 823 CA VAL C 57 16.618 -12.091 5.799 1.00 0.00 C ATOM 824 C VAL C 57 15.925 -11.085 4.892 1.00 0.00 C ATOM 825 O VAL C 57 14.744 -11.225 4.573 1.00 0.00 O ATOM 826 CB VAL C 57 16.387 -11.672 7.262 1.00 0.00 C ATOM 827 CG1 VAL C 57 14.987 -12.066 7.710 1.00 0.00 C ATOM 828 CG2 VAL C 57 17.444 -12.274 8.176 1.00 0.00 C ATOM 0 H VAL C 57 18.642 -11.506 5.896 1.00 0.00 H new ATOM 0 HA VAL C 57 16.198 -13.087 5.662 1.00 0.00 H new ATOM 0 HB VAL C 57 16.475 -10.587 7.327 1.00 0.00 H new ATOM 0 HG11 VAL C 57 14.838 -11.763 8.747 1.00 0.00 H new ATOM 0 HG12 VAL C 57 14.250 -11.571 7.078 1.00 0.00 H new ATOM 0 HG13 VAL C 57 14.869 -13.146 7.627 1.00 0.00 H new ATOM 0 HG21 VAL C 57 17.257 -11.962 9.203 1.00 0.00 H new ATOM 0 HG22 VAL C 57 17.402 -13.361 8.114 1.00 0.00 H new ATOM 0 HG23 VAL C 57 18.431 -11.931 7.866 1.00 0.00 H new ATOM 838 N PHE C 58 16.672 -10.079 4.459 1.00 0.00 N ATOM 839 CA PHE C 58 16.103 -9.014 3.645 1.00 0.00 C ATOM 840 C PHE C 58 16.309 -9.274 2.157 1.00 0.00 C ATOM 841 O PHE C 58 16.178 -8.365 1.344 1.00 0.00 O ATOM 842 CB PHE C 58 16.693 -7.656 4.036 1.00 0.00 C ATOM 843 CG PHE C 58 16.148 -7.111 5.329 1.00 0.00 C ATOM 844 CD1 PHE C 58 16.704 -7.473 6.546 1.00 0.00 C ATOM 845 CD2 PHE C 58 15.076 -6.232 5.324 1.00 0.00 C ATOM 846 CE1 PHE C 58 16.205 -6.971 7.731 1.00 0.00 C ATOM 847 CE2 PHE C 58 14.571 -5.725 6.507 1.00 0.00 C ATOM 848 CZ PHE C 58 15.136 -6.096 7.712 1.00 0.00 C ATOM 0 H PHE C 58 17.668 -9.978 4.656 1.00 0.00 H new ATOM 0 HA PHE C 58 15.030 -8.996 3.835 1.00 0.00 H new ATOM 0 HB2 PHE C 58 17.776 -7.750 4.119 1.00 0.00 H new ATOM 0 HB3 PHE C 58 16.496 -6.940 3.238 1.00 0.00 H new ATOM 0 HD1 PHE C 58 17.539 -8.157 6.567 1.00 0.00 H new ATOM 0 HD2 PHE C 58 14.630 -5.940 4.385 1.00 0.00 H new ATOM 0 HE1 PHE C 58 16.649 -7.262 8.671 1.00 0.00 H new ATOM 0 HE2 PHE C 58 13.736 -5.040 6.489 1.00 0.00 H new ATOM 0 HZ PHE C 58 14.743 -5.703 8.638 1.00 0.00 H new ATOM 858 N LYS C 59 16.668 -10.506 1.819 1.00 0.00 N ATOM 859 CA LYS C 59 16.704 -10.956 0.433 1.00 0.00 C ATOM 860 C LYS C 59 15.296 -11.349 -0.016 1.00 0.00 C ATOM 861 O LYS C 59 14.817 -12.435 0.316 1.00 0.00 O ATOM 862 CB LYS C 59 17.659 -12.149 0.299 1.00 0.00 C ATOM 863 CG LYS C 59 17.630 -12.819 -1.058 1.00 0.00 C ATOM 864 CD LYS C 59 18.718 -13.872 -1.182 1.00 0.00 C ATOM 865 CE LYS C 59 18.520 -14.738 -2.416 1.00 0.00 C ATOM 866 NZ LYS C 59 18.496 -13.939 -3.668 1.00 0.00 N ATOM 0 H LYS C 59 16.942 -11.219 2.495 1.00 0.00 H new ATOM 0 HA LYS C 59 17.064 -10.147 -0.202 1.00 0.00 H new ATOM 0 HB2 LYS C 59 18.675 -11.811 0.503 1.00 0.00 H new ATOM 0 HB3 LYS C 59 17.409 -12.887 1.061 1.00 0.00 H new ATOM 0 HG2 LYS C 59 16.655 -13.281 -1.216 1.00 0.00 H new ATOM 0 HG3 LYS C 59 17.758 -12.069 -1.838 1.00 0.00 H new ATOM 0 HD2 LYS C 59 19.692 -13.386 -1.231 1.00 0.00 H new ATOM 0 HD3 LYS C 59 18.720 -14.501 -0.292 1.00 0.00 H new ATOM 0 HE2 LYS C 59 19.322 -15.474 -2.473 1.00 0.00 H new ATOM 0 HE3 LYS C 59 17.585 -15.291 -2.323 1.00 0.00 H new ATOM 0 HZ1 LYS C 59 18.846 -14.519 -4.457 1.00 0.00 H new ATOM 0 HZ2 LYS C 59 17.521 -13.635 -3.868 1.00 0.00 H new ATOM 0 HZ3 LYS C 59 19.103 -13.102 -3.557 1.00 0.00 H new ATOM 880 N PRO C 60 14.598 -10.466 -0.745 1.00 0.00 N ATOM 881 CA PRO C 60 13.228 -10.685 -1.148 1.00 0.00 C ATOM 882 C PRO C 60 13.101 -11.147 -2.601 1.00 0.00 C ATOM 883 O PRO C 60 13.359 -12.308 -2.920 1.00 0.00 O ATOM 884 CB PRO C 60 12.634 -9.287 -0.959 1.00 0.00 C ATOM 885 CG PRO C 60 13.782 -8.334 -1.178 1.00 0.00 C ATOM 886 CD PRO C 60 15.052 -9.159 -1.214 1.00 0.00 C ATOM 0 HA PRO C 60 12.734 -11.475 -0.582 1.00 0.00 H new ATOM 0 HB2 PRO C 60 11.829 -9.102 -1.670 1.00 0.00 H new ATOM 0 HB3 PRO C 60 12.211 -9.171 0.039 1.00 0.00 H new ATOM 0 HG2 PRO C 60 13.653 -7.786 -2.111 1.00 0.00 H new ATOM 0 HG3 PRO C 60 13.826 -7.595 -0.378 1.00 0.00 H new ATOM 0 HD2 PRO C 60 15.472 -9.212 -2.218 1.00 0.00 H new ATOM 0 HD3 PRO C 60 15.824 -8.742 -0.567 1.00 0.00 H new ATOM 894 N GLU C 61 12.728 -10.220 -3.477 1.00 0.00 N ATOM 895 CA GLU C 61 12.560 -10.500 -4.894 1.00 0.00 C ATOM 896 C GLU C 61 13.017 -9.300 -5.706 1.00 0.00 C ATOM 897 O GLU C 61 12.521 -8.190 -5.510 1.00 0.00 O ATOM 898 CB GLU C 61 11.095 -10.803 -5.228 1.00 0.00 C ATOM 899 CG GLU C 61 10.569 -12.099 -4.636 1.00 0.00 C ATOM 900 CD GLU C 61 9.104 -12.317 -4.947 1.00 0.00 C ATOM 901 OE1 GLU C 61 8.786 -12.847 -6.035 1.00 0.00 O ATOM 902 OE2 GLU C 61 8.258 -11.944 -4.111 1.00 0.00 O ATOM 0 H GLU C 61 12.534 -9.252 -3.221 1.00 0.00 H new ATOM 0 HA GLU C 61 13.161 -11.375 -5.142 1.00 0.00 H new ATOM 0 HB2 GLU C 61 10.477 -9.979 -4.873 1.00 0.00 H new ATOM 0 HB3 GLU C 61 10.983 -10.841 -6.312 1.00 0.00 H new ATOM 0 HG2 GLU C 61 11.149 -12.936 -5.025 1.00 0.00 H new ATOM 0 HG3 GLU C 61 10.711 -12.087 -3.555 1.00 0.00 H new ATOM 909 N VAL C 62 13.955 -9.514 -6.605 1.00 0.00 N ATOM 910 CA VAL C 62 14.452 -8.447 -7.446 1.00 0.00 C ATOM 911 C VAL C 62 13.398 -8.077 -8.476 1.00 0.00 C ATOM 912 O VAL C 62 13.202 -8.782 -9.467 1.00 0.00 O ATOM 913 CB VAL C 62 15.756 -8.841 -8.165 1.00 0.00 C ATOM 914 CG1 VAL C 62 16.321 -7.652 -8.928 1.00 0.00 C ATOM 915 CG2 VAL C 62 16.777 -9.379 -7.173 1.00 0.00 C ATOM 0 H VAL C 62 14.390 -10.422 -6.772 1.00 0.00 H new ATOM 0 HA VAL C 62 14.669 -7.593 -6.804 1.00 0.00 H new ATOM 0 HB VAL C 62 15.530 -9.632 -8.879 1.00 0.00 H new ATOM 0 HG11 VAL C 62 17.242 -7.947 -9.431 1.00 0.00 H new ATOM 0 HG12 VAL C 62 15.595 -7.317 -9.669 1.00 0.00 H new ATOM 0 HG13 VAL C 62 16.531 -6.840 -8.232 1.00 0.00 H new ATOM 0 HG21 VAL C 62 17.690 -9.651 -7.702 1.00 0.00 H new ATOM 0 HG22 VAL C 62 17.002 -8.613 -6.431 1.00 0.00 H new ATOM 0 HG23 VAL C 62 16.371 -10.259 -6.674 1.00 0.00 H new ATOM 925 N GLY C 63 12.708 -6.983 -8.219 1.00 0.00 N ATOM 926 CA GLY C 63 11.665 -6.538 -9.118 1.00 0.00 C ATOM 927 C GLY C 63 10.382 -6.133 -8.409 1.00 0.00 C ATOM 928 O GLY C 63 9.579 -5.389 -8.970 1.00 0.00 O ATOM 0 H GLY C 63 12.850 -6.391 -7.401 1.00 0.00 H new ATOM 0 HA2 GLY C 63 12.033 -5.691 -9.697 1.00 0.00 H new ATOM 0 HA3 GLY C 63 11.442 -7.336 -9.826 1.00 0.00 H new ATOM 932 N GLY C 64 10.176 -6.617 -7.185 1.00 0.00 N ATOM 933 CA GLY C 64 8.957 -6.309 -6.466 1.00 0.00 C ATOM 934 C GLY C 64 8.955 -4.917 -5.864 1.00 0.00 C ATOM 935 O GLY C 64 9.720 -4.043 -6.276 1.00 0.00 O ATOM 0 H GLY C 64 10.832 -7.215 -6.682 1.00 0.00 H new ATOM 0 HA2 GLY C 64 8.109 -6.406 -7.143 1.00 0.00 H new ATOM 0 HA3 GLY C 64 8.816 -7.042 -5.672 1.00 0.00 H new ATOM 939 N TYR C 65 8.102 -4.719 -4.875 1.00 0.00 N ATOM 940 CA TYR C 65 7.943 -3.413 -4.250 1.00 0.00 C ATOM 941 C TYR C 65 8.173 -3.491 -2.747 1.00 0.00 C ATOM 942 O TYR C 65 7.485 -4.225 -2.036 1.00 0.00 O ATOM 943 CB TYR C 65 6.552 -2.842 -4.537 1.00 0.00 C ATOM 944 CG TYR C 65 6.351 -2.429 -5.979 1.00 0.00 C ATOM 945 CD1 TYR C 65 6.723 -1.163 -6.412 1.00 0.00 C ATOM 946 CD2 TYR C 65 5.786 -3.298 -6.902 1.00 0.00 C ATOM 947 CE1 TYR C 65 6.541 -0.776 -7.725 1.00 0.00 C ATOM 948 CE2 TYR C 65 5.601 -2.919 -8.218 1.00 0.00 C ATOM 949 CZ TYR C 65 5.979 -1.656 -8.624 1.00 0.00 C ATOM 950 OH TYR C 65 5.791 -1.272 -9.932 1.00 0.00 O ATOM 0 H TYR C 65 7.505 -5.448 -4.484 1.00 0.00 H new ATOM 0 HA TYR C 65 8.693 -2.748 -4.679 1.00 0.00 H new ATOM 0 HB2 TYR C 65 5.801 -3.587 -4.273 1.00 0.00 H new ATOM 0 HB3 TYR C 65 6.383 -1.978 -3.894 1.00 0.00 H new ATOM 0 HD1 TYR C 65 7.162 -0.469 -5.710 1.00 0.00 H new ATOM 0 HD2 TYR C 65 5.486 -4.286 -6.587 1.00 0.00 H new ATOM 0 HE1 TYR C 65 6.838 0.212 -8.046 1.00 0.00 H new ATOM 0 HE2 TYR C 65 5.163 -3.608 -8.925 1.00 0.00 H new ATOM 0 HH TYR C 65 5.385 -2.009 -10.434 1.00 0.00 H new ATOM 960 N LEU C 66 9.153 -2.742 -2.281 1.00 0.00 N ATOM 961 CA LEU C 66 9.426 -2.617 -0.861 1.00 0.00 C ATOM 962 C LEU C 66 8.695 -1.386 -0.340 1.00 0.00 C ATOM 963 O LEU C 66 8.394 -0.476 -1.109 1.00 0.00 O ATOM 964 CB LEU C 66 10.937 -2.471 -0.640 1.00 0.00 C ATOM 965 CG LEU C 66 11.415 -2.504 0.813 1.00 0.00 C ATOM 966 CD1 LEU C 66 11.392 -3.923 1.357 1.00 0.00 C ATOM 967 CD2 LEU C 66 12.810 -1.912 0.923 1.00 0.00 C ATOM 0 H LEU C 66 9.783 -2.203 -2.875 1.00 0.00 H new ATOM 0 HA LEU C 66 9.082 -3.503 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU C 66 11.441 -3.269 -1.184 1.00 0.00 H new ATOM 0 HB3 LEU C 66 11.259 -1.529 -1.085 1.00 0.00 H new ATOM 0 HG LEU C 66 10.733 -1.901 1.413 1.00 0.00 H new ATOM 0 HD11 LEU C 66 11.736 -3.922 2.391 1.00 0.00 H new ATOM 0 HD12 LEU C 66 10.375 -4.313 1.313 1.00 0.00 H new ATOM 0 HD13 LEU C 66 12.049 -4.553 0.757 1.00 0.00 H new ATOM 0 HD21 LEU C 66 13.137 -1.942 1.962 1.00 0.00 H new ATOM 0 HD22 LEU C 66 13.500 -2.490 0.309 1.00 0.00 H new ATOM 0 HD23 LEU C 66 12.795 -0.878 0.577 1.00 0.00 H new ATOM 979 N PHE C 67 8.382 -1.354 0.938 1.00 0.00 N ATOM 980 CA PHE C 67 7.764 -0.175 1.517 1.00 0.00 C ATOM 981 C PHE C 67 8.347 0.113 2.893 1.00 0.00 C ATOM 982 O PHE C 67 8.722 -0.805 3.625 1.00 0.00 O ATOM 983 CB PHE C 67 6.236 -0.316 1.559 1.00 0.00 C ATOM 984 CG PHE C 67 5.718 -1.507 2.320 1.00 0.00 C ATOM 985 CD1 PHE C 67 5.468 -2.700 1.665 1.00 0.00 C ATOM 986 CD2 PHE C 67 5.461 -1.425 3.679 1.00 0.00 C ATOM 987 CE1 PHE C 67 4.972 -3.791 2.351 1.00 0.00 C ATOM 988 CE2 PHE C 67 4.967 -2.514 4.372 1.00 0.00 C ATOM 989 CZ PHE C 67 4.721 -3.697 3.706 1.00 0.00 C ATOM 0 H PHE C 67 8.542 -2.121 1.592 1.00 0.00 H new ATOM 0 HA PHE C 67 7.987 0.681 0.880 1.00 0.00 H new ATOM 0 HB2 PHE C 67 5.817 0.587 2.002 1.00 0.00 H new ATOM 0 HB3 PHE C 67 5.865 -0.371 0.536 1.00 0.00 H new ATOM 0 HD1 PHE C 67 5.663 -2.779 0.606 1.00 0.00 H new ATOM 0 HD2 PHE C 67 5.649 -0.499 4.203 1.00 0.00 H new ATOM 0 HE1 PHE C 67 4.781 -4.717 1.829 1.00 0.00 H new ATOM 0 HE2 PHE C 67 4.774 -2.439 5.432 1.00 0.00 H new ATOM 0 HZ PHE C 67 4.332 -4.549 4.244 1.00 0.00 H new ATOM 999 N ARG C 68 8.429 1.393 3.235 1.00 0.00 N ATOM 1000 CA ARG C 68 9.117 1.819 4.441 1.00 0.00 C ATOM 1001 C ARG C 68 8.275 2.813 5.222 1.00 0.00 C ATOM 1002 O ARG C 68 7.872 3.848 4.687 1.00 0.00 O ATOM 1003 CB ARG C 68 10.455 2.462 4.068 1.00 0.00 C ATOM 1004 CG ARG C 68 11.233 3.003 5.255 1.00 0.00 C ATOM 1005 CD ARG C 68 12.480 3.745 4.802 1.00 0.00 C ATOM 1006 NE ARG C 68 12.152 4.908 3.975 1.00 0.00 N ATOM 1007 CZ ARG C 68 12.994 5.469 3.106 1.00 0.00 C ATOM 1008 NH1 ARG C 68 14.206 4.957 2.916 1.00 0.00 N ATOM 1009 NH2 ARG C 68 12.616 6.539 2.420 1.00 0.00 N ATOM 0 H ARG C 68 8.025 2.155 2.690 1.00 0.00 H new ATOM 0 HA ARG C 68 9.289 0.944 5.068 1.00 0.00 H new ATOM 0 HB2 ARG C 68 11.069 1.725 3.550 1.00 0.00 H new ATOM 0 HB3 ARG C 68 10.272 3.275 3.365 1.00 0.00 H new ATOM 0 HG2 ARG C 68 10.598 3.673 5.835 1.00 0.00 H new ATOM 0 HG3 ARG C 68 11.514 2.182 5.914 1.00 0.00 H new ATOM 0 HD2 ARG C 68 13.047 4.068 5.675 1.00 0.00 H new ATOM 0 HD3 ARG C 68 13.121 3.067 4.238 1.00 0.00 H new ATOM 0 HE ARG C 68 11.221 5.315 4.069 1.00 0.00 H new ATOM 0 HH11 ARG C 68 14.497 4.130 3.436 1.00 0.00 H new ATOM 0 HH12 ARG C 68 14.844 5.392 2.250 1.00 0.00 H new ATOM 0 HH21 ARG C 68 11.684 6.930 2.558 1.00 0.00 H new ATOM 0 HH22 ARG C 68 13.257 6.971 1.755 1.00 0.00 H new ATOM 1023 N SER C 69 8.006 2.501 6.480 1.00 0.00 N ATOM 1024 CA SER C 69 7.298 3.420 7.342 1.00 0.00 C ATOM 1025 C SER C 69 8.287 4.293 8.092 1.00 0.00 C ATOM 1026 O SER C 69 9.486 4.007 8.133 1.00 0.00 O ATOM 1027 CB SER C 69 6.396 2.664 8.317 1.00 0.00 C ATOM 1028 OG SER C 69 7.115 1.654 9.000 1.00 0.00 O ATOM 0 H SER C 69 8.268 1.620 6.921 1.00 0.00 H new ATOM 0 HA SER C 69 6.664 4.058 6.726 1.00 0.00 H new ATOM 0 HB2 SER C 69 5.970 3.362 9.038 1.00 0.00 H new ATOM 0 HB3 SER C 69 5.563 2.217 7.774 1.00 0.00 H new ATOM 0 HG SER C 69 7.746 2.068 9.625 1.00 0.00 H new ATOM 1034 N GLN C 70 7.759 5.338 8.705 1.00 0.00 N ATOM 1035 CA GLN C 70 8.570 6.380 9.341 1.00 0.00 C ATOM 1036 C GLN C 70 9.232 5.896 10.631 1.00 0.00 C ATOM 1037 O GLN C 70 9.766 6.695 11.396 1.00 0.00 O ATOM 1038 CB GLN C 70 7.697 7.594 9.658 1.00 0.00 C ATOM 1039 CG GLN C 70 7.011 8.192 8.446 1.00 0.00 C ATOM 1040 CD GLN C 70 6.037 9.284 8.828 1.00 0.00 C ATOM 1041 OE1 GLN C 70 6.396 10.458 8.903 1.00 0.00 O ATOM 1042 NE2 GLN C 70 4.797 8.901 9.086 1.00 0.00 N ATOM 0 H GLN C 70 6.754 5.495 8.780 1.00 0.00 H new ATOM 0 HA GLN C 70 9.358 6.646 8.637 1.00 0.00 H new ATOM 0 HB2 GLN C 70 6.939 7.304 10.386 1.00 0.00 H new ATOM 0 HB3 GLN C 70 8.314 8.360 10.128 1.00 0.00 H new ATOM 0 HG2 GLN C 70 7.762 8.597 7.767 1.00 0.00 H new ATOM 0 HG3 GLN C 70 6.482 7.407 7.905 1.00 0.00 H new ATOM 0 HE21 GLN C 70 4.541 7.916 9.012 1.00 0.00 H new ATOM 0 HE22 GLN C 70 4.097 9.590 9.359 1.00 0.00 H new ATOM 1051 N TYR C 71 9.186 4.597 10.873 1.00 0.00 N ATOM 1052 CA TYR C 71 9.755 4.027 12.082 1.00 0.00 C ATOM 1053 C TYR C 71 11.002 3.223 11.744 1.00 0.00 C ATOM 1054 O TYR C 71 11.697 2.728 12.630 1.00 0.00 O ATOM 1055 CB TYR C 71 8.728 3.132 12.774 1.00 0.00 C ATOM 1056 CG TYR C 71 7.366 3.771 12.908 1.00 0.00 C ATOM 1057 CD1 TYR C 71 6.345 3.450 12.028 1.00 0.00 C ATOM 1058 CD2 TYR C 71 7.105 4.696 13.909 1.00 0.00 C ATOM 1059 CE1 TYR C 71 5.099 4.033 12.141 1.00 0.00 C ATOM 1060 CE2 TYR C 71 5.861 5.283 14.029 1.00 0.00 C ATOM 1061 CZ TYR C 71 4.861 4.947 13.142 1.00 0.00 C ATOM 1062 OH TYR C 71 3.621 5.529 13.257 1.00 0.00 O ATOM 0 H TYR C 71 8.759 3.915 10.246 1.00 0.00 H new ATOM 0 HA TYR C 71 10.029 4.837 12.757 1.00 0.00 H new ATOM 0 HB2 TYR C 71 8.631 2.203 12.213 1.00 0.00 H new ATOM 0 HB3 TYR C 71 9.096 2.869 13.766 1.00 0.00 H new ATOM 0 HD1 TYR C 71 6.527 2.733 11.242 1.00 0.00 H new ATOM 0 HD2 TYR C 71 7.887 4.961 14.605 1.00 0.00 H new ATOM 0 HE1 TYR C 71 4.314 3.773 11.447 1.00 0.00 H new ATOM 0 HE2 TYR C 71 5.673 6.001 14.813 1.00 0.00 H new ATOM 0 HH TYR C 71 3.620 6.150 14.015 1.00 0.00 H new ATOM 1072 N GLY C 72 11.284 3.111 10.454 1.00 0.00 N ATOM 1073 CA GLY C 72 12.406 2.311 10.010 1.00 0.00 C ATOM 1074 C GLY C 72 12.003 0.877 9.748 1.00 0.00 C ATOM 1075 O GLY C 72 12.834 -0.032 9.785 1.00 0.00 O ATOM 0 H GLY C 72 10.755 3.560 9.707 1.00 0.00 H new ATOM 0 HA2 GLY C 72 12.824 2.743 9.101 1.00 0.00 H new ATOM 0 HA3 GLY C 72 13.192 2.336 10.765 1.00 0.00 H new ATOM 1079 N GLU C 73 10.719 0.677 9.492 1.00 0.00 N ATOM 1080 CA GLU C 73 10.179 -0.646 9.227 1.00 0.00 C ATOM 1081 C GLU C 73 10.025 -0.852 7.723 1.00 0.00 C ATOM 1082 O GLU C 73 9.321 -0.091 7.053 1.00 0.00 O ATOM 1083 CB GLU C 73 8.831 -0.809 9.938 1.00 0.00 C ATOM 1084 CG GLU C 73 8.173 -2.160 9.725 1.00 0.00 C ATOM 1085 CD GLU C 73 6.849 -2.277 10.450 1.00 0.00 C ATOM 1086 OE1 GLU C 73 5.814 -1.873 9.882 1.00 0.00 O ATOM 1087 OE2 GLU C 73 6.836 -2.766 11.599 1.00 0.00 O ATOM 0 H GLU C 73 10.025 1.424 9.462 1.00 0.00 H new ATOM 0 HA GLU C 73 10.866 -1.401 9.610 1.00 0.00 H new ATOM 0 HB2 GLU C 73 8.976 -0.653 11.007 1.00 0.00 H new ATOM 0 HB3 GLU C 73 8.153 -0.029 9.591 1.00 0.00 H new ATOM 0 HG2 GLU C 73 8.016 -2.320 8.658 1.00 0.00 H new ATOM 0 HG3 GLU C 73 8.844 -2.947 10.070 1.00 0.00 H new ATOM 1094 N LEU C 74 10.701 -1.865 7.193 1.00 0.00 N ATOM 1095 CA LEU C 74 10.704 -2.117 5.757 1.00 0.00 C ATOM 1096 C LEU C 74 10.275 -3.541 5.437 1.00 0.00 C ATOM 1097 O LEU C 74 10.950 -4.504 5.807 1.00 0.00 O ATOM 1098 CB LEU C 74 12.088 -1.856 5.150 1.00 0.00 C ATOM 1099 CG LEU C 74 12.515 -0.388 5.099 1.00 0.00 C ATOM 1100 CD1 LEU C 74 13.073 0.073 6.438 1.00 0.00 C ATOM 1101 CD2 LEU C 74 13.533 -0.160 3.996 1.00 0.00 C ATOM 0 H LEU C 74 11.255 -2.526 7.737 1.00 0.00 H new ATOM 0 HA LEU C 74 9.984 -1.427 5.316 1.00 0.00 H new ATOM 0 HB2 LEU C 74 12.829 -2.413 5.724 1.00 0.00 H new ATOM 0 HB3 LEU C 74 12.103 -2.257 4.136 1.00 0.00 H new ATOM 0 HG LEU C 74 11.627 0.205 4.881 1.00 0.00 H new ATOM 0 HD11 LEU C 74 13.367 1.120 6.368 1.00 0.00 H new ATOM 0 HD12 LEU C 74 12.310 -0.039 7.208 1.00 0.00 H new ATOM 0 HD13 LEU C 74 13.942 -0.532 6.698 1.00 0.00 H new ATOM 0 HD21 LEU C 74 13.822 0.891 3.979 1.00 0.00 H new ATOM 0 HD22 LEU C 74 14.414 -0.775 4.181 1.00 0.00 H new ATOM 0 HD23 LEU C 74 13.096 -0.432 3.035 1.00 0.00 H new ATOM 1113 N LEU C 75 9.156 -3.658 4.744 1.00 0.00 N ATOM 1114 CA LEU C 75 8.656 -4.951 4.272 1.00 0.00 C ATOM 1115 C LEU C 75 8.375 -4.851 2.782 1.00 0.00 C ATOM 1116 O LEU C 75 8.384 -3.752 2.230 1.00 0.00 O ATOM 1117 CB LEU C 75 7.375 -5.381 5.009 1.00 0.00 C ATOM 1118 CG LEU C 75 7.531 -5.827 6.470 1.00 0.00 C ATOM 1119 CD1 LEU C 75 8.686 -6.805 6.623 1.00 0.00 C ATOM 1120 CD2 LEU C 75 7.703 -4.631 7.393 1.00 0.00 C ATOM 0 H LEU C 75 8.565 -2.866 4.490 1.00 0.00 H new ATOM 0 HA LEU C 75 9.417 -5.705 4.474 1.00 0.00 H new ATOM 0 HB2 LEU C 75 6.672 -4.548 4.982 1.00 0.00 H new ATOM 0 HB3 LEU C 75 6.921 -6.200 4.451 1.00 0.00 H new ATOM 0 HG LEU C 75 6.615 -6.343 6.760 1.00 0.00 H new ATOM 0 HD11 LEU C 75 8.774 -7.104 7.667 1.00 0.00 H new ATOM 0 HD12 LEU C 75 8.501 -7.685 6.008 1.00 0.00 H new ATOM 0 HD13 LEU C 75 9.612 -6.327 6.304 1.00 0.00 H new ATOM 0 HD21 LEU C 75 7.811 -4.977 8.421 1.00 0.00 H new ATOM 0 HD22 LEU C 75 8.593 -4.072 7.103 1.00 0.00 H new ATOM 0 HD23 LEU C 75 6.828 -3.985 7.318 1.00 0.00 H new ATOM 1132 N TYR C 76 8.124 -5.975 2.127 1.00 0.00 N ATOM 1133 CA TYR C 76 7.873 -5.951 0.693 1.00 0.00 C ATOM 1134 C TYR C 76 6.637 -6.768 0.343 1.00 0.00 C ATOM 1135 O TYR C 76 6.248 -7.676 1.081 1.00 0.00 O ATOM 1136 CB TYR C 76 9.092 -6.481 -0.085 1.00 0.00 C ATOM 1137 CG TYR C 76 9.018 -7.954 -0.441 1.00 0.00 C ATOM 1138 CD1 TYR C 76 9.519 -8.931 0.412 1.00 0.00 C ATOM 1139 CD2 TYR C 76 8.442 -8.363 -1.638 1.00 0.00 C ATOM 1140 CE1 TYR C 76 9.447 -10.271 0.078 1.00 0.00 C ATOM 1141 CE2 TYR C 76 8.363 -9.696 -1.976 1.00 0.00 C ATOM 1142 CZ TYR C 76 8.867 -10.648 -1.117 1.00 0.00 C ATOM 1143 OH TYR C 76 8.789 -11.982 -1.453 1.00 0.00 O ATOM 0 H TYR C 76 8.089 -6.900 2.556 1.00 0.00 H new ATOM 0 HA TYR C 76 7.697 -4.915 0.404 1.00 0.00 H new ATOM 0 HB2 TYR C 76 9.201 -5.903 -1.003 1.00 0.00 H new ATOM 0 HB3 TYR C 76 9.990 -6.308 0.509 1.00 0.00 H new ATOM 0 HD1 TYR C 76 9.971 -8.639 1.349 1.00 0.00 H new ATOM 0 HD2 TYR C 76 8.048 -7.621 -2.317 1.00 0.00 H new ATOM 0 HE1 TYR C 76 9.843 -11.019 0.749 1.00 0.00 H new ATOM 0 HE2 TYR C 76 7.908 -9.993 -2.909 1.00 0.00 H new ATOM 0 HH TYR C 76 8.674 -12.069 -2.422 1.00 0.00 H new ATOM 1153 N MET C 77 6.033 -6.432 -0.791 1.00 0.00 N ATOM 1154 CA MET C 77 4.928 -7.196 -1.360 1.00 0.00 C ATOM 1155 C MET C 77 4.543 -6.599 -2.701 1.00 0.00 C ATOM 1156 O MET C 77 5.205 -5.682 -3.190 1.00 0.00 O ATOM 1157 CB MET C 77 3.708 -7.205 -0.427 1.00 0.00 C ATOM 1158 CG MET C 77 3.039 -5.849 -0.263 1.00 0.00 C ATOM 1159 SD MET C 77 1.603 -5.918 0.824 1.00 0.00 S ATOM 1160 CE MET C 77 2.356 -6.529 2.329 1.00 0.00 C ATOM 0 H MET C 77 6.297 -5.617 -1.345 1.00 0.00 H new ATOM 0 HA MET C 77 5.257 -8.227 -1.489 1.00 0.00 H new ATOM 0 HB2 MET C 77 2.976 -7.915 -0.812 1.00 0.00 H new ATOM 0 HB3 MET C 77 4.017 -7.566 0.554 1.00 0.00 H new ATOM 0 HG2 MET C 77 3.761 -5.137 0.138 1.00 0.00 H new ATOM 0 HG3 MET C 77 2.733 -5.477 -1.241 1.00 0.00 H new ATOM 0 HE1 MET C 77 1.876 -6.065 3.190 1.00 0.00 H new ATOM 0 HE2 MET C 77 2.233 -7.611 2.384 1.00 0.00 H new ATOM 0 HE3 MET C 77 3.418 -6.284 2.330 1.00 0.00 H new ATOM 1170 N SER C 78 3.497 -7.129 -3.305 1.00 0.00 N ATOM 1171 CA SER C 78 2.912 -6.511 -4.477 1.00 0.00 C ATOM 1172 C SER C 78 2.210 -5.221 -4.057 1.00 0.00 C ATOM 1173 O SER C 78 1.312 -5.239 -3.211 1.00 0.00 O ATOM 1174 CB SER C 78 1.932 -7.480 -5.146 1.00 0.00 C ATOM 1175 OG SER C 78 1.093 -8.104 -4.185 1.00 0.00 O ATOM 0 H SER C 78 3.035 -7.987 -3.003 1.00 0.00 H new ATOM 0 HA SER C 78 3.690 -6.271 -5.202 1.00 0.00 H new ATOM 0 HB2 SER C 78 1.322 -6.942 -5.871 1.00 0.00 H new ATOM 0 HB3 SER C 78 2.486 -8.240 -5.697 1.00 0.00 H new ATOM 0 HG SER C 78 0.783 -7.436 -3.538 1.00 0.00 H new ATOM 1181 N LYS C 79 2.632 -4.097 -4.631 1.00 0.00 N ATOM 1182 CA LYS C 79 2.124 -2.800 -4.204 1.00 0.00 C ATOM 1183 C LYS C 79 0.639 -2.678 -4.504 1.00 0.00 C ATOM 1184 O LYS C 79 -0.070 -1.917 -3.851 1.00 0.00 O ATOM 1185 CB LYS C 79 2.882 -1.648 -4.868 1.00 0.00 C ATOM 1186 CG LYS C 79 2.605 -1.482 -6.354 1.00 0.00 C ATOM 1187 CD LYS C 79 2.706 -0.024 -6.778 1.00 0.00 C ATOM 1188 CE LYS C 79 1.645 0.822 -6.087 1.00 0.00 C ATOM 1189 NZ LYS C 79 1.589 2.207 -6.618 1.00 0.00 N ATOM 0 H LYS C 79 3.318 -4.059 -5.385 1.00 0.00 H new ATOM 0 HA LYS C 79 2.279 -2.733 -3.127 1.00 0.00 H new ATOM 0 HB2 LYS C 79 2.625 -0.720 -4.358 1.00 0.00 H new ATOM 0 HB3 LYS C 79 3.951 -1.804 -4.726 1.00 0.00 H new ATOM 0 HG2 LYS C 79 3.315 -2.079 -6.927 1.00 0.00 H new ATOM 0 HG3 LYS C 79 1.610 -1.862 -6.585 1.00 0.00 H new ATOM 0 HD2 LYS C 79 3.697 0.361 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS C 79 2.590 0.053 -7.859 1.00 0.00 H new ATOM 0 HE2 LYS C 79 0.671 0.349 -6.210 1.00 0.00 H new ATOM 0 HE3 LYS C 79 1.851 0.854 -5.017 1.00 0.00 H new ATOM 0 HZ1 LYS C 79 0.636 2.597 -6.472 1.00 0.00 H new ATOM 0 HZ2 LYS C 79 2.285 2.798 -6.120 1.00 0.00 H new ATOM 0 HZ3 LYS C 79 1.807 2.198 -7.635 1.00 0.00 H new ATOM 1203 N THR C 80 0.180 -3.442 -5.488 1.00 0.00 N ATOM 1204 CA THR C 80 -1.219 -3.456 -5.859 1.00 0.00 C ATOM 1205 C THR C 80 -2.088 -3.925 -4.695 1.00 0.00 C ATOM 1206 O THR C 80 -3.218 -3.473 -4.528 1.00 0.00 O ATOM 1207 CB THR C 80 -1.440 -4.369 -7.078 1.00 0.00 C ATOM 1208 OG1 THR C 80 -0.738 -5.606 -6.895 1.00 0.00 O ATOM 1209 CG2 THR C 80 -0.962 -3.695 -8.354 1.00 0.00 C ATOM 0 H THR C 80 0.767 -4.063 -6.044 1.00 0.00 H new ATOM 0 HA THR C 80 -1.509 -2.438 -6.118 1.00 0.00 H new ATOM 0 HB THR C 80 -2.508 -4.565 -7.169 1.00 0.00 H new ATOM 0 HG1 THR C 80 -0.884 -6.183 -7.673 1.00 0.00 H new ATOM 0 HG21 THR C 80 -1.129 -4.360 -9.201 1.00 0.00 H new ATOM 0 HG22 THR C 80 -1.516 -2.768 -8.505 1.00 0.00 H new ATOM 0 HG23 THR C 80 0.102 -3.473 -8.271 1.00 0.00 H new ATOM 1217 N ALA C 81 -1.539 -4.812 -3.875 1.00 0.00 N ATOM 1218 CA ALA C 81 -2.264 -5.351 -2.737 1.00 0.00 C ATOM 1219 C ALA C 81 -2.364 -4.323 -1.616 1.00 0.00 C ATOM 1220 O ALA C 81 -3.449 -4.048 -1.099 1.00 0.00 O ATOM 1221 CB ALA C 81 -1.585 -6.613 -2.231 1.00 0.00 C ATOM 0 H ALA C 81 -0.591 -5.173 -3.979 1.00 0.00 H new ATOM 0 HA ALA C 81 -3.274 -5.598 -3.064 1.00 0.00 H new ATOM 0 HB1 ALA C 81 -2.138 -7.007 -1.378 1.00 0.00 H new ATOM 0 HB2 ALA C 81 -1.564 -7.359 -3.026 1.00 0.00 H new ATOM 0 HB3 ALA C 81 -0.565 -6.380 -1.926 1.00 0.00 H new ATOM 1227 N PHE C 82 -1.231 -3.737 -1.256 1.00 0.00 N ATOM 1228 CA PHE C 82 -1.180 -2.830 -0.119 1.00 0.00 C ATOM 1229 C PHE C 82 -1.851 -1.501 -0.451 1.00 0.00 C ATOM 1230 O PHE C 82 -2.592 -0.961 0.364 1.00 0.00 O ATOM 1231 CB PHE C 82 0.267 -2.610 0.326 1.00 0.00 C ATOM 1232 CG PHE C 82 0.399 -2.242 1.779 1.00 0.00 C ATOM 1233 CD1 PHE C 82 0.324 -3.217 2.760 1.00 0.00 C ATOM 1234 CD2 PHE C 82 0.601 -0.928 2.162 1.00 0.00 C ATOM 1235 CE1 PHE C 82 0.449 -2.887 4.097 1.00 0.00 C ATOM 1236 CE2 PHE C 82 0.725 -0.590 3.497 1.00 0.00 C ATOM 1237 CZ PHE C 82 0.650 -1.571 4.466 1.00 0.00 C ATOM 0 H PHE C 82 -0.339 -3.872 -1.732 1.00 0.00 H new ATOM 0 HA PHE C 82 -1.728 -3.286 0.705 1.00 0.00 H new ATOM 0 HB2 PHE C 82 0.839 -3.518 0.136 1.00 0.00 H new ATOM 0 HB3 PHE C 82 0.710 -1.821 -0.282 1.00 0.00 H new ATOM 0 HD1 PHE C 82 0.166 -4.247 2.477 1.00 0.00 H new ATOM 0 HD2 PHE C 82 0.663 -0.157 1.409 1.00 0.00 H new ATOM 0 HE1 PHE C 82 0.390 -3.657 4.852 1.00 0.00 H new ATOM 0 HE2 PHE C 82 0.880 0.440 3.782 1.00 0.00 H new ATOM 0 HZ PHE C 82 0.748 -1.310 5.509 1.00 0.00 H new ATOM 1247 N GLU C 83 -1.618 -0.987 -1.654 1.00 0.00 N ATOM 1248 CA GLU C 83 -2.232 0.271 -2.071 1.00 0.00 C ATOM 1249 C GLU C 83 -3.760 0.146 -2.072 1.00 0.00 C ATOM 1250 O GLU C 83 -4.469 1.087 -1.729 1.00 0.00 O ATOM 1251 CB GLU C 83 -1.722 0.682 -3.464 1.00 0.00 C ATOM 1252 CG GLU C 83 -2.280 2.011 -3.956 1.00 0.00 C ATOM 1253 CD GLU C 83 -2.148 2.187 -5.458 1.00 0.00 C ATOM 1254 OE1 GLU C 83 -3.184 2.128 -6.158 1.00 0.00 O ATOM 1255 OE2 GLU C 83 -1.017 2.380 -5.950 1.00 0.00 O ATOM 0 H GLU C 83 -1.013 -1.417 -2.354 1.00 0.00 H new ATOM 0 HA GLU C 83 -1.951 1.047 -1.359 1.00 0.00 H new ATOM 0 HB2 GLU C 83 -0.634 0.743 -3.439 1.00 0.00 H new ATOM 0 HB3 GLU C 83 -1.981 -0.098 -4.180 1.00 0.00 H new ATOM 0 HG2 GLU C 83 -3.331 2.083 -3.678 1.00 0.00 H new ATOM 0 HG3 GLU C 83 -1.760 2.826 -3.453 1.00 0.00 H new ATOM 1262 N ALA C 84 -4.243 -1.056 -2.361 1.00 0.00 N ATOM 1263 CA ALA C 84 -5.668 -1.308 -2.572 1.00 0.00 C ATOM 1264 C ALA C 84 -6.420 -1.248 -1.268 1.00 0.00 C ATOM 1265 O ALA C 84 -7.556 -0.785 -1.214 1.00 0.00 O ATOM 1266 CB ALA C 84 -5.877 -2.663 -3.229 1.00 0.00 C ATOM 0 H ALA C 84 -3.659 -1.887 -2.456 1.00 0.00 H new ATOM 0 HA ALA C 84 -6.054 -0.532 -3.232 1.00 0.00 H new ATOM 0 HB1 ALA C 84 -6.943 -2.834 -3.379 1.00 0.00 H new ATOM 0 HB2 ALA C 84 -5.368 -2.683 -4.192 1.00 0.00 H new ATOM 0 HB3 ALA C 84 -5.470 -3.445 -2.588 1.00 0.00 H new ATOM 1272 N ASN C 85 -5.771 -1.700 -0.211 1.00 0.00 N ATOM 1273 CA ASN C 85 -6.392 -1.706 1.091 1.00 0.00 C ATOM 1274 C ASN C 85 -6.478 -0.297 1.648 1.00 0.00 C ATOM 1275 O ASN C 85 -7.343 -0.011 2.476 1.00 0.00 O ATOM 1276 CB ASN C 85 -5.632 -2.620 2.054 1.00 0.00 C ATOM 1277 CG ASN C 85 -5.947 -4.090 1.841 1.00 0.00 C ATOM 1278 OD1 ASN C 85 -6.867 -4.631 2.451 1.00 0.00 O ATOM 1279 ND2 ASN C 85 -5.198 -4.746 0.969 1.00 0.00 N ATOM 0 H ASN C 85 -4.819 -2.065 -0.233 1.00 0.00 H new ATOM 0 HA ASN C 85 -7.404 -2.096 0.982 1.00 0.00 H new ATOM 0 HB2 ASN C 85 -4.561 -2.461 1.930 1.00 0.00 H new ATOM 0 HB3 ASN C 85 -5.878 -2.345 3.080 1.00 0.00 H new ATOM 0 HD21 ASN C 85 -5.376 -5.733 0.785 1.00 0.00 H new ATOM 0 HD22 ASN C 85 -4.443 -4.264 0.481 1.00 0.00 H new ATOM 1286 N TYR C 86 -5.581 0.594 1.212 1.00 0.00 N ATOM 1287 CA TYR C 86 -5.602 1.950 1.747 1.00 0.00 C ATOM 1288 C TYR C 86 -5.816 3.022 0.676 1.00 0.00 C ATOM 1289 O TYR C 86 -6.948 3.434 0.420 1.00 0.00 O ATOM 1290 CB TYR C 86 -4.315 2.210 2.530 1.00 0.00 C ATOM 1291 CG TYR C 86 -3.980 1.063 3.448 1.00 0.00 C ATOM 1292 CD1 TYR C 86 -4.383 1.046 4.775 1.00 0.00 C ATOM 1293 CD2 TYR C 86 -3.296 -0.028 2.956 1.00 0.00 C ATOM 1294 CE1 TYR C 86 -4.107 -0.041 5.583 1.00 0.00 C ATOM 1295 CE2 TYR C 86 -3.013 -1.109 3.745 1.00 0.00 C ATOM 1296 CZ TYR C 86 -3.420 -1.119 5.062 1.00 0.00 C ATOM 1297 OH TYR C 86 -3.146 -2.208 5.860 1.00 0.00 O ATOM 0 H TYR C 86 -4.859 0.407 0.516 1.00 0.00 H new ATOM 0 HA TYR C 86 -6.462 2.021 2.413 1.00 0.00 H new ATOM 0 HB2 TYR C 86 -3.492 2.371 1.834 1.00 0.00 H new ATOM 0 HB3 TYR C 86 -4.423 3.124 3.114 1.00 0.00 H new ATOM 0 HD1 TYR C 86 -4.918 1.891 5.181 1.00 0.00 H new ATOM 0 HD2 TYR C 86 -2.976 -0.029 1.924 1.00 0.00 H new ATOM 0 HE1 TYR C 86 -4.427 -0.047 6.615 1.00 0.00 H new ATOM 0 HE2 TYR C 86 -2.473 -1.951 3.338 1.00 0.00 H new ATOM 0 HH TYR C 86 -2.657 -2.880 5.340 1.00 0.00 H new ATOM 1307 N THR C 87 -4.737 3.459 0.046 1.00 0.00 N ATOM 1308 CA THR C 87 -4.757 4.688 -0.745 1.00 0.00 C ATOM 1309 C THR C 87 -5.182 4.525 -2.207 1.00 0.00 C ATOM 1310 O THR C 87 -5.173 5.499 -2.962 1.00 0.00 O ATOM 1311 CB THR C 87 -3.369 5.313 -0.691 1.00 0.00 C ATOM 1312 OG1 THR C 87 -2.416 4.447 -1.318 1.00 0.00 O ATOM 1313 CG2 THR C 87 -2.988 5.504 0.753 1.00 0.00 C ATOM 0 H THR C 87 -3.835 2.984 0.065 1.00 0.00 H new ATOM 0 HA THR C 87 -5.522 5.323 -0.298 1.00 0.00 H new ATOM 0 HB THR C 87 -3.377 6.269 -1.214 1.00 0.00 H new ATOM 0 HG1 THR C 87 -1.509 4.726 -1.072 1.00 0.00 H new ATOM 0 HG21 THR C 87 -1.996 5.951 0.811 1.00 0.00 H new ATOM 0 HG22 THR C 87 -3.711 6.161 1.236 1.00 0.00 H new ATOM 0 HG23 THR C 87 -2.981 4.538 1.258 1.00 0.00 H new