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 13 TYR OH : rot 180:sc= 1.01 USER MOD Set 1.2: C 79 LYS NZ :NH3+ 171:sc= 1.99 (180deg=0.65) USER MOD Set 2.1: C 51 SER OG : rot 180:sc= 1.22 USER MOD Set 2.2: C 54 THR OG1 : rot 156:sc= 1.31 USER MOD Set 3.1: C 27 LYS NZ :NH3+ 135:sc= 0.977 (180deg=-2.3!) USER MOD Set 3.2: C 48 GLN : amide:sc= -0.541 K(o=0.44,f=-6.8) USER MOD Single : C 14 LYS NZ :NH3+ -121:sc= 0.917 (180deg=-0.0666) USER MOD Single : C 20 TYR OH : rot 150:sc= 0.632 USER MOD Single : C 22 SER OG : rot 180:sc= 0 USER MOD Single : C 30 LYS NZ :NH3+ 170:sc= 1.16 (180deg=1.06) USER MOD Single : C 31 TYR OH : rot 180:sc= -0.323 USER MOD Single : C 33 ASN : amide:sc= -0.0811 X(o=-0.081,f=-0.49) USER MOD Single : C 36 SER OG : rot 87:sc= 1.15 USER MOD Single : C 38 ASN :FLIP amide:sc= -2.54! C(o=-3.7!,f=-2.5!) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 53 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : C 59 LYS NZ :NH3+ 169:sc= 1.73 (180deg=1.46) USER MOD Single : C 65 TYR OH : rot 180:sc= 0 USER MOD Single : C 69 SER OG : rot -180:sc= 0.326 USER MOD Single : C 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 71 TYR OH : rot 180:sc= 0 USER MOD Single : C 76 TYR OH : rot 180:sc= 0 USER MOD Single : C 77 MET CE :methyl -157:sc= -0.9 (180deg=-2.31!) USER MOD Single : C 78 SER OG : rot 50:sc= 0.0787 USER MOD Single : C 80 THR OG1 : rot 180:sc= 0.00241 USER MOD Single : C 85 ASN : amide:sc= 1.15 K(o=1.2,f=-0.11) USER MOD Single : C 86 TYR OH : rot 180:sc= 0 USER MOD Single : C 87 THR OG1 : rot -11:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 167 N LEU C 12 4.672 9.496 -1.352 1.00 0.00 N ATOM 168 CA LEU C 12 4.910 8.133 -0.909 1.00 0.00 C ATOM 169 C LEU C 12 3.594 7.505 -0.463 1.00 0.00 C ATOM 170 O LEU C 12 2.544 8.144 -0.542 1.00 0.00 O ATOM 171 CB LEU C 12 5.955 8.117 0.211 1.00 0.00 C ATOM 172 CG LEU C 12 7.257 8.858 -0.126 1.00 0.00 C ATOM 173 CD1 LEU C 12 8.198 8.884 1.065 1.00 0.00 C ATOM 174 CD2 LEU C 12 7.944 8.225 -1.328 1.00 0.00 C ATOM 0 HA LEU C 12 5.306 7.541 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU C 12 5.519 8.563 1.105 1.00 0.00 H new ATOM 0 HB3 LEU C 12 6.193 7.082 0.455 1.00 0.00 H new ATOM 0 HG LEU C 12 6.997 9.886 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU C 12 9.111 9.415 0.796 1.00 0.00 H new ATOM 0 HD12 LEU C 12 7.715 9.392 1.899 1.00 0.00 H new ATOM 0 HD13 LEU C 12 8.445 7.863 1.356 1.00 0.00 H new ATOM 0 HD21 LEU C 12 8.864 8.767 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU C 12 8.180 7.184 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU C 12 7.281 8.270 -2.192 1.00 0.00 H new ATOM 186 N TYR C 13 3.642 6.269 0.007 1.00 0.00 N ATOM 187 CA TYR C 13 2.423 5.498 0.217 1.00 0.00 C ATOM 188 C TYR C 13 1.909 5.668 1.647 1.00 0.00 C ATOM 189 O TYR C 13 2.619 6.188 2.511 1.00 0.00 O ATOM 190 CB TYR C 13 2.681 4.020 -0.100 1.00 0.00 C ATOM 191 CG TYR C 13 3.389 3.804 -1.427 1.00 0.00 C ATOM 192 CD1 TYR C 13 4.309 2.776 -1.590 1.00 0.00 C ATOM 193 CD2 TYR C 13 3.153 4.646 -2.510 1.00 0.00 C ATOM 194 CE1 TYR C 13 4.975 2.595 -2.791 1.00 0.00 C ATOM 195 CE2 TYR C 13 3.809 4.469 -3.712 1.00 0.00 C ATOM 196 CZ TYR C 13 4.720 3.445 -3.849 1.00 0.00 C ATOM 197 OH TYR C 13 5.388 3.283 -5.043 1.00 0.00 O ATOM 0 H TYR C 13 4.503 5.779 0.249 1.00 0.00 H new ATOM 0 HA TYR C 13 1.652 5.871 -0.457 1.00 0.00 H new ATOM 0 HB2 TYR C 13 3.281 3.584 0.699 1.00 0.00 H new ATOM 0 HB3 TYR C 13 1.730 3.487 -0.112 1.00 0.00 H new ATOM 0 HD1 TYR C 13 4.508 2.107 -0.766 1.00 0.00 H new ATOM 0 HD2 TYR C 13 2.443 5.453 -2.408 1.00 0.00 H new ATOM 0 HE1 TYR C 13 5.690 1.793 -2.899 1.00 0.00 H new ATOM 0 HE2 TYR C 13 3.609 5.131 -4.542 1.00 0.00 H new ATOM 0 HH TYR C 13 5.089 3.964 -5.680 1.00 0.00 H new ATOM 207 N LYS C 14 0.665 5.258 1.892 1.00 0.00 N ATOM 208 CA LYS C 14 0.074 5.370 3.203 1.00 0.00 C ATOM 209 C LYS C 14 -0.195 3.981 3.732 1.00 0.00 C ATOM 210 O LYS C 14 -0.344 3.034 2.968 1.00 0.00 O ATOM 211 CB LYS C 14 -1.233 6.170 3.136 1.00 0.00 C ATOM 212 CG LYS C 14 -1.048 7.619 2.705 1.00 0.00 C ATOM 213 CD LYS C 14 -0.488 8.489 3.820 1.00 0.00 C ATOM 214 CE LYS C 14 -1.517 8.730 4.915 1.00 0.00 C ATOM 215 NZ LYS C 14 -1.071 9.777 5.874 1.00 0.00 N ATOM 0 H LYS C 14 0.053 4.845 1.188 1.00 0.00 H new ATOM 0 HA LYS C 14 0.759 5.895 3.868 1.00 0.00 H new ATOM 0 HB2 LYS C 14 -1.913 5.678 2.441 1.00 0.00 H new ATOM 0 HB3 LYS C 14 -1.710 6.151 4.116 1.00 0.00 H new ATOM 0 HG2 LYS C 14 -0.377 7.657 1.847 1.00 0.00 H new ATOM 0 HG3 LYS C 14 -2.006 8.023 2.379 1.00 0.00 H new ATOM 0 HD2 LYS C 14 0.393 8.011 4.247 1.00 0.00 H new ATOM 0 HD3 LYS C 14 -0.164 9.445 3.408 1.00 0.00 H new ATOM 0 HE2 LYS C 14 -2.463 9.030 4.465 1.00 0.00 H new ATOM 0 HE3 LYS C 14 -1.700 7.800 5.452 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 -1.030 9.375 6.832 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 -0.128 10.119 5.601 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 -1.744 10.570 5.860 1.00 0.00 H new ATOM 229 N ASP C 15 -0.228 3.872 5.030 1.00 0.00 N ATOM 230 CA ASP C 15 -0.488 2.598 5.683 1.00 0.00 C ATOM 231 C ASP C 15 -1.989 2.465 5.984 1.00 0.00 C ATOM 232 O ASP C 15 -2.791 3.263 5.490 1.00 0.00 O ATOM 233 CB ASP C 15 0.396 2.450 6.944 1.00 0.00 C ATOM 234 CG ASP C 15 -0.349 2.503 8.269 1.00 0.00 C ATOM 235 OD1 ASP C 15 -0.201 1.546 9.059 1.00 0.00 O ATOM 236 OD2 ASP C 15 -1.109 3.460 8.511 1.00 0.00 O ATOM 0 H ASP C 15 -0.078 4.651 5.671 1.00 0.00 H new ATOM 0 HA ASP C 15 -0.220 1.777 5.018 1.00 0.00 H new ATOM 0 HB2 ASP C 15 0.930 1.502 6.884 1.00 0.00 H new ATOM 0 HB3 ASP C 15 1.147 3.240 6.936 1.00 0.00 H new ATOM 241 N ALA C 16 -2.366 1.493 6.796 1.00 0.00 N ATOM 242 CA ALA C 16 -3.772 1.156 6.980 1.00 0.00 C ATOM 243 C ALA C 16 -4.522 2.224 7.782 1.00 0.00 C ATOM 244 O ALA C 16 -5.646 2.594 7.425 1.00 0.00 O ATOM 245 CB ALA C 16 -3.901 -0.213 7.664 1.00 0.00 C ATOM 0 H ALA C 16 -1.720 0.921 7.340 1.00 0.00 H new ATOM 0 HA ALA C 16 -4.230 1.113 5.992 1.00 0.00 H new ATOM 0 HB1 ALA C 16 -4.955 -0.455 7.797 1.00 0.00 H new ATOM 0 HB2 ALA C 16 -3.429 -0.975 7.044 1.00 0.00 H new ATOM 0 HB3 ALA C 16 -3.411 -0.181 8.637 1.00 0.00 H new ATOM 251 N ASP C 17 -3.906 2.741 8.842 1.00 0.00 N ATOM 252 CA ASP C 17 -4.611 3.651 9.744 1.00 0.00 C ATOM 253 C ASP C 17 -4.261 5.101 9.444 1.00 0.00 C ATOM 254 O ASP C 17 -4.871 6.023 9.994 1.00 0.00 O ATOM 255 CB ASP C 17 -4.329 3.323 11.220 1.00 0.00 C ATOM 256 CG ASP C 17 -2.920 3.663 11.676 1.00 0.00 C ATOM 257 OD1 ASP C 17 -2.661 4.840 12.010 1.00 0.00 O ATOM 258 OD2 ASP C 17 -2.076 2.746 11.752 1.00 0.00 O ATOM 0 H ASP C 17 -2.937 2.551 9.096 1.00 0.00 H new ATOM 0 HA ASP C 17 -5.678 3.511 9.570 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.041 3.864 11.843 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -4.505 2.260 11.384 1.00 0.00 H new ATOM 263 N GLY C 18 -3.283 5.304 8.578 1.00 0.00 N ATOM 264 CA GLY C 18 -2.953 6.648 8.155 1.00 0.00 C ATOM 265 C GLY C 18 -1.497 6.997 8.383 1.00 0.00 C ATOM 266 O GLY C 18 -1.099 8.151 8.242 1.00 0.00 O ATOM 0 H GLY C 18 -2.714 4.567 8.162 1.00 0.00 H new ATOM 0 HA2 GLY C 18 -3.186 6.758 7.096 1.00 0.00 H new ATOM 0 HA3 GLY C 18 -3.580 7.358 8.695 1.00 0.00 H new ATOM 270 N VAL C 19 -0.707 5.995 8.726 1.00 0.00 N ATOM 271 CA VAL C 19 0.723 6.173 8.934 1.00 0.00 C ATOM 272 C VAL C 19 1.416 6.413 7.599 1.00 0.00 C ATOM 273 O VAL C 19 1.041 5.827 6.580 1.00 0.00 O ATOM 274 CB VAL C 19 1.327 4.929 9.629 1.00 0.00 C ATOM 275 CG1 VAL C 19 2.849 4.995 9.657 1.00 0.00 C ATOM 276 CG2 VAL C 19 0.782 4.804 11.042 1.00 0.00 C ATOM 0 H VAL C 19 -1.034 5.039 8.868 1.00 0.00 H new ATOM 0 HA VAL C 19 0.877 7.039 9.577 1.00 0.00 H new ATOM 0 HB VAL C 19 1.039 4.049 9.054 1.00 0.00 H new ATOM 0 HG11 VAL C 19 3.243 4.107 10.152 1.00 0.00 H new ATOM 0 HG12 VAL C 19 3.230 5.041 8.637 1.00 0.00 H new ATOM 0 HG13 VAL C 19 3.165 5.884 10.203 1.00 0.00 H new ATOM 0 HG21 VAL C 19 1.213 3.926 11.522 1.00 0.00 H new ATOM 0 HG22 VAL C 19 1.044 5.695 11.613 1.00 0.00 H new ATOM 0 HG23 VAL C 19 -0.303 4.702 11.006 1.00 0.00 H new ATOM 286 N TYR C 20 2.405 7.293 7.596 1.00 0.00 N ATOM 287 CA TYR C 20 3.150 7.581 6.391 1.00 0.00 C ATOM 288 C TYR C 20 4.355 6.678 6.318 1.00 0.00 C ATOM 289 O TYR C 20 5.070 6.465 7.301 1.00 0.00 O ATOM 290 CB TYR C 20 3.571 9.041 6.348 1.00 0.00 C ATOM 291 CG TYR C 20 3.980 9.545 4.981 1.00 0.00 C ATOM 292 CD1 TYR C 20 5.181 10.217 4.792 1.00 0.00 C ATOM 293 CD2 TYR C 20 3.148 9.369 3.883 1.00 0.00 C ATOM 294 CE1 TYR C 20 5.538 10.703 3.547 1.00 0.00 C ATOM 295 CE2 TYR C 20 3.500 9.846 2.637 1.00 0.00 C ATOM 296 CZ TYR C 20 4.693 10.513 2.474 1.00 0.00 C ATOM 297 OH TYR C 20 5.036 11.000 1.231 1.00 0.00 O ATOM 0 H TYR C 20 2.707 7.818 8.417 1.00 0.00 H new ATOM 0 HA TYR C 20 2.510 7.396 5.528 1.00 0.00 H new ATOM 0 HB2 TYR C 20 2.746 9.653 6.713 1.00 0.00 H new ATOM 0 HB3 TYR C 20 4.404 9.185 7.036 1.00 0.00 H new ATOM 0 HD1 TYR C 20 5.846 10.362 5.630 1.00 0.00 H new ATOM 0 HD2 TYR C 20 2.209 8.850 4.007 1.00 0.00 H new ATOM 0 HE1 TYR C 20 6.473 11.228 3.416 1.00 0.00 H new ATOM 0 HE2 TYR C 20 2.842 9.697 1.793 1.00 0.00 H new ATOM 0 HH TYR C 20 4.644 10.430 0.537 1.00 0.00 H new ATOM 307 N VAL C 21 4.561 6.161 5.141 1.00 0.00 N ATOM 308 CA VAL C 21 5.575 5.145 4.903 1.00 0.00 C ATOM 309 C VAL C 21 6.376 5.479 3.652 1.00 0.00 C ATOM 310 O VAL C 21 5.827 5.889 2.625 1.00 0.00 O ATOM 311 CB VAL C 21 4.938 3.723 4.774 1.00 0.00 C ATOM 312 CG1 VAL C 21 4.099 3.335 6.000 1.00 0.00 C ATOM 313 CG2 VAL C 21 4.072 3.625 3.534 1.00 0.00 C ATOM 0 H VAL C 21 4.034 6.426 4.309 1.00 0.00 H new ATOM 0 HA VAL C 21 6.246 5.136 5.762 1.00 0.00 H new ATOM 0 HB VAL C 21 5.773 3.027 4.700 1.00 0.00 H new ATOM 0 HG11 VAL C 21 3.682 2.339 5.855 1.00 0.00 H new ATOM 0 HG12 VAL C 21 4.730 3.338 6.889 1.00 0.00 H new ATOM 0 HG13 VAL C 21 3.289 4.053 6.128 1.00 0.00 H new ATOM 0 HG21 VAL C 21 3.641 2.626 3.469 1.00 0.00 H new ATOM 0 HG22 VAL C 21 3.271 4.362 3.590 1.00 0.00 H new ATOM 0 HG23 VAL C 21 4.680 3.816 2.650 1.00 0.00 H new ATOM 323 N SER C 22 7.687 5.337 3.765 1.00 0.00 N ATOM 324 CA SER C 22 8.584 5.612 2.663 1.00 0.00 C ATOM 325 C SER C 22 8.485 4.497 1.633 1.00 0.00 C ATOM 326 O SER C 22 8.265 3.342 1.987 1.00 0.00 O ATOM 327 CB SER C 22 10.018 5.744 3.179 1.00 0.00 C ATOM 328 OG SER C 22 10.079 6.647 4.272 1.00 0.00 O ATOM 0 H SER C 22 8.153 5.030 4.619 1.00 0.00 H new ATOM 0 HA SER C 22 8.300 6.552 2.189 1.00 0.00 H new ATOM 0 HB2 SER C 22 10.390 4.767 3.488 1.00 0.00 H new ATOM 0 HB3 SER C 22 10.667 6.093 2.376 1.00 0.00 H new ATOM 0 HG SER C 22 11.004 6.716 4.588 1.00 0.00 H new ATOM 334 N ALA C 23 8.657 4.836 0.366 1.00 0.00 N ATOM 335 CA ALA C 23 8.475 3.870 -0.698 1.00 0.00 C ATOM 336 C ALA C 23 9.812 3.440 -1.264 1.00 0.00 C ATOM 337 O ALA C 23 10.544 4.242 -1.848 1.00 0.00 O ATOM 338 CB ALA C 23 7.606 4.462 -1.794 1.00 0.00 C ATOM 0 H ALA C 23 8.921 5.770 0.053 1.00 0.00 H new ATOM 0 HA ALA C 23 7.978 2.991 -0.287 1.00 0.00 H new ATOM 0 HB1 ALA C 23 7.474 3.729 -2.590 1.00 0.00 H new ATOM 0 HB2 ALA C 23 6.633 4.729 -1.382 1.00 0.00 H new ATOM 0 HB3 ALA C 23 8.086 5.353 -2.198 1.00 0.00 H new ATOM 344 N LEU C 24 10.121 2.170 -1.081 1.00 0.00 N ATOM 345 CA LEU C 24 11.346 1.592 -1.600 1.00 0.00 C ATOM 346 C LEU C 24 11.002 0.477 -2.579 1.00 0.00 C ATOM 347 O LEU C 24 10.727 -0.658 -2.166 1.00 0.00 O ATOM 348 CB LEU C 24 12.239 1.036 -0.475 1.00 0.00 C ATOM 349 CG LEU C 24 12.740 2.042 0.578 1.00 0.00 C ATOM 350 CD1 LEU C 24 13.311 3.289 -0.082 1.00 0.00 C ATOM 351 CD2 LEU C 24 11.641 2.406 1.567 1.00 0.00 C ATOM 0 H LEU C 24 9.532 1.512 -0.570 1.00 0.00 H new ATOM 0 HA LEU C 24 11.903 2.381 -2.106 1.00 0.00 H new ATOM 0 HB2 LEU C 24 11.685 0.252 0.041 1.00 0.00 H new ATOM 0 HB3 LEU C 24 13.108 0.564 -0.934 1.00 0.00 H new ATOM 0 HG LEU C 24 13.542 1.559 1.136 1.00 0.00 H new ATOM 0 HD11 LEU C 24 13.657 3.981 0.686 1.00 0.00 H new ATOM 0 HD12 LEU C 24 14.147 3.011 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU C 24 12.538 3.769 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU C 24 12.029 3.118 2.296 1.00 0.00 H new ATOM 0 HD22 LEU C 24 10.804 2.854 1.032 1.00 0.00 H new ATOM 0 HD23 LEU C 24 11.303 1.507 2.082 1.00 0.00 H new ATOM 363 N PRO C 25 10.995 0.783 -3.885 1.00 0.00 N ATOM 364 CA PRO C 25 10.740 -0.212 -4.922 1.00 0.00 C ATOM 365 C PRO C 25 11.888 -1.204 -5.043 1.00 0.00 C ATOM 366 O PRO C 25 12.915 -1.078 -4.372 1.00 0.00 O ATOM 367 CB PRO C 25 10.607 0.620 -6.207 1.00 0.00 C ATOM 368 CG PRO C 25 10.436 2.027 -5.746 1.00 0.00 C ATOM 369 CD PRO C 25 11.198 2.120 -4.462 1.00 0.00 C ATOM 0 HA PRO C 25 9.856 -0.812 -4.707 1.00 0.00 H new ATOM 0 HB2 PRO C 25 11.491 0.517 -6.836 1.00 0.00 H new ATOM 0 HB3 PRO C 25 9.753 0.294 -6.801 1.00 0.00 H new ATOM 0 HG2 PRO C 25 10.821 2.731 -6.483 1.00 0.00 H new ATOM 0 HG3 PRO C 25 9.383 2.266 -5.596 1.00 0.00 H new ATOM 0 HD2 PRO C 25 12.253 2.336 -4.629 1.00 0.00 H new ATOM 0 HD3 PRO C 25 10.811 2.906 -3.814 1.00 0.00 H new ATOM 377 N ILE C 26 11.727 -2.180 -5.911 1.00 0.00 N ATOM 378 CA ILE C 26 12.724 -3.217 -6.069 1.00 0.00 C ATOM 379 C ILE C 26 13.233 -3.221 -7.483 1.00 0.00 C ATOM 380 O ILE C 26 12.784 -4.004 -8.328 1.00 0.00 O ATOM 381 CB ILE C 26 12.206 -4.613 -5.724 1.00 0.00 C ATOM 382 CG1 ILE C 26 10.888 -4.543 -4.942 1.00 0.00 C ATOM 383 CG2 ILE C 26 13.280 -5.332 -4.927 1.00 0.00 C ATOM 384 CD1 ILE C 26 9.647 -4.316 -5.793 1.00 0.00 C ATOM 0 H ILE C 26 10.914 -2.277 -6.519 1.00 0.00 H new ATOM 0 HA ILE C 26 13.524 -2.986 -5.366 1.00 0.00 H new ATOM 0 HB ILE C 26 11.994 -5.163 -6.641 1.00 0.00 H new ATOM 0 HG12 ILE C 26 10.764 -5.472 -4.385 1.00 0.00 H new ATOM 0 HG13 ILE C 26 10.960 -3.739 -4.209 1.00 0.00 H new ATOM 0 HG21 ILE C 26 12.933 -6.332 -4.669 1.00 0.00 H new ATOM 0 HG22 ILE C 26 14.188 -5.406 -5.525 1.00 0.00 H new ATOM 0 HG23 ILE C 26 13.491 -4.774 -4.015 1.00 0.00 H new ATOM 0 HD11 ILE C 26 8.767 -4.281 -5.151 1.00 0.00 H new ATOM 0 HD12 ILE C 26 9.742 -3.372 -6.330 1.00 0.00 H new ATOM 0 HD13 ILE C 26 9.542 -5.132 -6.509 1.00 0.00 H new ATOM 396 N LYS C 27 14.222 -2.384 -7.682 1.00 0.00 N ATOM 397 CA LYS C 27 14.643 -1.944 -8.986 1.00 0.00 C ATOM 398 C LYS C 27 15.659 -2.912 -9.565 1.00 0.00 C ATOM 399 O LYS C 27 15.481 -3.447 -10.663 1.00 0.00 O ATOM 400 CB LYS C 27 15.224 -0.533 -8.823 1.00 0.00 C ATOM 401 CG LYS C 27 14.937 0.077 -7.441 1.00 0.00 C ATOM 402 CD LYS C 27 15.952 -0.388 -6.389 1.00 0.00 C ATOM 403 CE LYS C 27 15.579 0.084 -4.997 1.00 0.00 C ATOM 404 NZ LYS C 27 16.638 -0.231 -3.997 1.00 0.00 N ATOM 0 H LYS C 27 14.769 -1.981 -6.921 1.00 0.00 H new ATOM 0 HA LYS C 27 13.807 -1.917 -9.685 1.00 0.00 H new ATOM 0 HB2 LYS C 27 16.302 -0.569 -8.982 1.00 0.00 H new ATOM 0 HB3 LYS C 27 14.810 0.116 -9.594 1.00 0.00 H new ATOM 0 HG2 LYS C 27 14.960 1.164 -7.512 1.00 0.00 H new ATOM 0 HG3 LYS C 27 13.932 -0.200 -7.123 1.00 0.00 H new ATOM 0 HD2 LYS C 27 16.013 -1.476 -6.399 1.00 0.00 H new ATOM 0 HD3 LYS C 27 16.941 -0.011 -6.647 1.00 0.00 H new ATOM 0 HE2 LYS C 27 15.405 1.160 -5.014 1.00 0.00 H new ATOM 0 HE3 LYS C 27 14.643 -0.386 -4.694 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 16.803 0.599 -3.392 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 16.333 -1.033 -3.409 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 17.519 -0.480 -4.491 1.00 0.00 H new ATOM 418 N ALA C 28 16.710 -3.148 -8.801 1.00 0.00 N ATOM 419 CA ALA C 28 17.738 -4.101 -9.170 1.00 0.00 C ATOM 420 C ALA C 28 18.488 -4.527 -7.921 1.00 0.00 C ATOM 421 O ALA C 28 18.554 -3.767 -6.954 1.00 0.00 O ATOM 422 CB ALA C 28 18.685 -3.489 -10.191 1.00 0.00 C ATOM 0 H ALA C 28 16.874 -2.684 -7.908 1.00 0.00 H new ATOM 0 HA ALA C 28 17.279 -4.978 -9.627 1.00 0.00 H new ATOM 0 HB1 ALA C 28 19.451 -4.217 -10.458 1.00 0.00 H new ATOM 0 HB2 ALA C 28 18.126 -3.207 -11.083 1.00 0.00 H new ATOM 0 HB3 ALA C 28 19.158 -2.604 -9.764 1.00 0.00 H new ATOM 428 N ILE C 29 19.020 -5.737 -7.921 1.00 0.00 N ATOM 429 CA ILE C 29 19.741 -6.248 -6.763 1.00 0.00 C ATOM 430 C ILE C 29 20.985 -7.003 -7.195 1.00 0.00 C ATOM 431 O ILE C 29 20.996 -7.677 -8.223 1.00 0.00 O ATOM 432 CB ILE C 29 18.851 -7.177 -5.888 1.00 0.00 C ATOM 433 CG1 ILE C 29 17.678 -6.405 -5.278 1.00 0.00 C ATOM 434 CG2 ILE C 29 19.666 -7.819 -4.772 1.00 0.00 C ATOM 435 CD1 ILE C 29 16.552 -7.295 -4.800 1.00 0.00 C ATOM 0 H ILE C 29 18.968 -6.385 -8.707 1.00 0.00 H new ATOM 0 HA ILE C 29 20.028 -5.385 -6.163 1.00 0.00 H new ATOM 0 HB ILE C 29 18.460 -7.958 -6.541 1.00 0.00 H new ATOM 0 HG12 ILE C 29 18.041 -5.811 -4.440 1.00 0.00 H new ATOM 0 HG13 ILE C 29 17.289 -5.707 -6.019 1.00 0.00 H new ATOM 0 HG21 ILE C 29 19.021 -8.463 -4.175 1.00 0.00 H new ATOM 0 HG22 ILE C 29 20.471 -8.412 -5.205 1.00 0.00 H new ATOM 0 HG23 ILE C 29 20.090 -7.041 -4.137 1.00 0.00 H new ATOM 0 HD11 ILE C 29 15.756 -6.680 -4.380 1.00 0.00 H new ATOM 0 HD12 ILE C 29 16.162 -7.871 -5.639 1.00 0.00 H new ATOM 0 HD13 ILE C 29 16.926 -7.976 -4.036 1.00 0.00 H new ATOM 447 N LYS C 30 22.029 -6.866 -6.403 1.00 0.00 N ATOM 448 CA LYS C 30 23.293 -7.531 -6.667 1.00 0.00 C ATOM 449 C LYS C 30 23.768 -8.282 -5.436 1.00 0.00 C ATOM 450 O LYS C 30 24.164 -7.672 -4.443 1.00 0.00 O ATOM 451 CB LYS C 30 24.356 -6.519 -7.099 1.00 0.00 C ATOM 452 CG LYS C 30 24.124 -5.919 -8.481 1.00 0.00 C ATOM 453 CD LYS C 30 24.829 -6.703 -9.588 1.00 0.00 C ATOM 454 CE LYS C 30 24.270 -8.107 -9.773 1.00 0.00 C ATOM 455 NZ LYS C 30 22.831 -8.100 -10.155 1.00 0.00 N ATOM 0 H LYS C 30 22.027 -6.292 -5.560 1.00 0.00 H new ATOM 0 HA LYS C 30 23.136 -8.243 -7.477 1.00 0.00 H new ATOM 0 HB2 LYS C 30 24.392 -5.712 -6.367 1.00 0.00 H new ATOM 0 HB3 LYS C 30 25.331 -7.006 -7.086 1.00 0.00 H new ATOM 0 HG2 LYS C 30 23.054 -5.891 -8.686 1.00 0.00 H new ATOM 0 HG3 LYS C 30 24.477 -4.888 -8.489 1.00 0.00 H new ATOM 0 HD2 LYS C 30 24.739 -6.156 -10.526 1.00 0.00 H new ATOM 0 HD3 LYS C 30 25.892 -6.769 -9.358 1.00 0.00 H new ATOM 0 HE2 LYS C 30 24.844 -8.625 -10.541 1.00 0.00 H new ATOM 0 HE3 LYS C 30 24.395 -8.669 -8.848 1.00 0.00 H new ATOM 0 HZ1 LYS C 30 22.541 -9.059 -10.433 1.00 0.00 H new ATOM 0 HZ2 LYS C 30 22.258 -7.786 -9.345 1.00 0.00 H new ATOM 0 HZ3 LYS C 30 22.687 -7.450 -10.954 1.00 0.00 H new ATOM 469 N TYR C 31 23.712 -9.601 -5.503 1.00 0.00 N ATOM 470 CA TYR C 31 24.177 -10.443 -4.419 1.00 0.00 C ATOM 471 C TYR C 31 25.656 -10.739 -4.602 1.00 0.00 C ATOM 472 O TYR C 31 26.051 -11.437 -5.536 1.00 0.00 O ATOM 473 CB TYR C 31 23.378 -11.749 -4.369 1.00 0.00 C ATOM 474 CG TYR C 31 21.893 -11.544 -4.164 1.00 0.00 C ATOM 475 CD1 TYR C 31 21.384 -11.217 -2.912 1.00 0.00 C ATOM 476 CD2 TYR C 31 20.998 -11.678 -5.219 1.00 0.00 C ATOM 477 CE1 TYR C 31 20.030 -11.029 -2.720 1.00 0.00 C ATOM 478 CE2 TYR C 31 19.642 -11.492 -5.034 1.00 0.00 C ATOM 479 CZ TYR C 31 19.164 -11.167 -3.782 1.00 0.00 C ATOM 480 OH TYR C 31 17.816 -10.978 -3.593 1.00 0.00 O ATOM 0 H TYR C 31 23.345 -10.114 -6.305 1.00 0.00 H new ATOM 0 HA TYR C 31 24.029 -9.917 -3.476 1.00 0.00 H new ATOM 0 HB2 TYR C 31 23.536 -12.297 -5.298 1.00 0.00 H new ATOM 0 HB3 TYR C 31 23.765 -12.371 -3.562 1.00 0.00 H new ATOM 0 HD1 TYR C 31 22.059 -11.108 -2.076 1.00 0.00 H new ATOM 0 HD2 TYR C 31 21.369 -11.932 -6.201 1.00 0.00 H new ATOM 0 HE1 TYR C 31 19.651 -10.775 -1.741 1.00 0.00 H new ATOM 0 HE2 TYR C 31 18.960 -11.600 -5.865 1.00 0.00 H new ATOM 0 HH TYR C 31 17.345 -11.111 -4.442 1.00 0.00 H new ATOM 490 N ALA C 32 26.464 -10.188 -3.717 1.00 0.00 N ATOM 491 CA ALA C 32 27.895 -10.331 -3.790 1.00 0.00 C ATOM 492 C ALA C 32 28.325 -11.664 -3.212 1.00 0.00 C ATOM 493 O ALA C 32 27.540 -12.390 -2.598 1.00 0.00 O ATOM 494 CB ALA C 32 28.573 -9.186 -3.056 1.00 0.00 C ATOM 0 H ALA C 32 26.141 -9.629 -2.928 1.00 0.00 H new ATOM 0 HA ALA C 32 28.197 -10.300 -4.837 1.00 0.00 H new ATOM 0 HB1 ALA C 32 29.655 -9.304 -3.118 1.00 0.00 H new ATOM 0 HB2 ALA C 32 28.285 -8.239 -3.513 1.00 0.00 H new ATOM 0 HB3 ALA C 32 28.266 -9.192 -2.010 1.00 0.00 H new ATOM 500 N ASN C 33 29.591 -11.949 -3.398 1.00 0.00 N ATOM 501 CA ASN C 33 30.169 -13.248 -3.072 1.00 0.00 C ATOM 502 C ASN C 33 30.431 -13.394 -1.581 1.00 0.00 C ATOM 503 O ASN C 33 30.793 -14.474 -1.114 1.00 0.00 O ATOM 504 CB ASN C 33 31.476 -13.437 -3.838 1.00 0.00 C ATOM 505 CG ASN C 33 32.499 -12.380 -3.504 1.00 0.00 C ATOM 506 OD1 ASN C 33 32.528 -11.312 -4.114 1.00 0.00 O ATOM 507 ND2 ASN C 33 33.342 -12.664 -2.540 1.00 0.00 N ATOM 0 H ASN C 33 30.263 -11.285 -3.783 1.00 0.00 H new ATOM 0 HA ASN C 33 29.449 -14.012 -3.363 1.00 0.00 H new ATOM 0 HB2 ASN C 33 31.887 -14.421 -3.611 1.00 0.00 H new ATOM 0 HB3 ASN C 33 31.272 -13.416 -4.909 1.00 0.00 H new ATOM 0 HD21 ASN C 33 34.056 -11.987 -2.271 1.00 0.00 H new ATOM 0 HD22 ASN C 33 33.283 -13.562 -2.059 1.00 0.00 H new ATOM 514 N ASP C 34 30.275 -12.308 -0.839 1.00 0.00 N ATOM 515 CA ASP C 34 30.497 -12.337 0.600 1.00 0.00 C ATOM 516 C ASP C 34 29.170 -12.452 1.334 1.00 0.00 C ATOM 517 O ASP C 34 29.134 -12.626 2.553 1.00 0.00 O ATOM 518 CB ASP C 34 31.231 -11.077 1.063 1.00 0.00 C ATOM 519 CG ASP C 34 30.319 -9.873 1.138 1.00 0.00 C ATOM 520 OD1 ASP C 34 29.929 -9.350 0.075 1.00 0.00 O ATOM 521 OD2 ASP C 34 29.983 -9.448 2.259 1.00 0.00 O ATOM 0 H ASP C 34 29.997 -11.398 -1.207 1.00 0.00 H new ATOM 0 HA ASP C 34 31.114 -13.206 0.830 1.00 0.00 H new ATOM 0 HB2 ASP C 34 31.672 -11.257 2.043 1.00 0.00 H new ATOM 0 HB3 ASP C 34 32.052 -10.865 0.378 1.00 0.00 H new ATOM 526 N GLY C 35 28.082 -12.348 0.583 1.00 0.00 N ATOM 527 CA GLY C 35 26.761 -12.439 1.170 1.00 0.00 C ATOM 528 C GLY C 35 26.036 -11.110 1.180 1.00 0.00 C ATOM 529 O GLY C 35 24.812 -11.067 1.309 1.00 0.00 O ATOM 0 H GLY C 35 28.092 -12.202 -0.426 1.00 0.00 H new ATOM 0 HA2 GLY C 35 26.170 -13.167 0.614 1.00 0.00 H new ATOM 0 HA3 GLY C 35 26.846 -12.810 2.191 1.00 0.00 H new ATOM 533 N SER C 36 26.790 -10.025 1.056 1.00 0.00 N ATOM 534 CA SER C 36 26.208 -8.691 1.030 1.00 0.00 C ATOM 535 C SER C 36 25.490 -8.449 -0.293 1.00 0.00 C ATOM 536 O SER C 36 25.810 -9.072 -1.306 1.00 0.00 O ATOM 537 CB SER C 36 27.296 -7.637 1.242 1.00 0.00 C ATOM 538 OG SER C 36 27.971 -7.836 2.476 1.00 0.00 O ATOM 0 H SER C 36 27.806 -10.044 0.972 1.00 0.00 H new ATOM 0 HA SER C 36 25.481 -8.613 1.838 1.00 0.00 H new ATOM 0 HB2 SER C 36 28.012 -7.680 0.422 1.00 0.00 H new ATOM 0 HB3 SER C 36 26.851 -6.642 1.224 1.00 0.00 H new ATOM 0 HG SER C 36 28.711 -8.465 2.346 1.00 0.00 H new ATOM 544 N ALA C 37 24.519 -7.551 -0.288 1.00 0.00 N ATOM 545 CA ALA C 37 23.753 -7.265 -1.489 1.00 0.00 C ATOM 546 C ALA C 37 23.451 -5.781 -1.601 1.00 0.00 C ATOM 547 O ALA C 37 23.218 -5.114 -0.593 1.00 0.00 O ATOM 548 CB ALA C 37 22.460 -8.068 -1.494 1.00 0.00 C ATOM 0 H ALA C 37 24.243 -7.009 0.531 1.00 0.00 H new ATOM 0 HA ALA C 37 24.353 -7.556 -2.351 1.00 0.00 H new ATOM 0 HB1 ALA C 37 21.896 -7.844 -2.399 1.00 0.00 H new ATOM 0 HB2 ALA C 37 22.693 -9.132 -1.466 1.00 0.00 H new ATOM 0 HB3 ALA C 37 21.864 -7.803 -0.621 1.00 0.00 H new ATOM 554 N ASN C 38 23.467 -5.269 -2.825 1.00 0.00 N ATOM 555 CA ASN C 38 23.114 -3.877 -3.073 1.00 0.00 C ATOM 556 C ASN C 38 21.866 -3.805 -3.941 1.00 0.00 C ATOM 557 O ASN C 38 21.627 -4.684 -4.770 1.00 0.00 O ATOM 558 CB ASN C 38 24.274 -3.108 -3.722 1.00 0.00 C ATOM 559 CG ASN C 38 24.586 -3.545 -5.138 1.00 0.00 C ATOM 560 OD1 ASN C 38 25.591 -4.394 -5.279 1.00 0.00 O flip ATOM 561 ND2 ASN C 38 23.960 -3.095 -6.099 1.00 0.00 N flip ATOM 0 H ASN C 38 23.720 -5.796 -3.661 1.00 0.00 H new ATOM 0 HA ASN C 38 22.907 -3.402 -2.114 1.00 0.00 H new ATOM 0 HB2 ASN C 38 24.035 -2.045 -3.725 1.00 0.00 H new ATOM 0 HB3 ASN C 38 25.167 -3.232 -3.109 1.00 0.00 H new ATOM 0 HD21 ASN C 38 23.191 -2.442 -5.946 1.00 0.00 H new ATOM 0 HD22 ASN C 38 24.210 -3.375 -7.047 1.00 0.00 H new ATOM 568 N ALA C 39 21.061 -2.774 -3.731 1.00 0.00 N ATOM 569 CA ALA C 39 19.809 -2.627 -4.453 1.00 0.00 C ATOM 570 C ALA C 39 19.793 -1.359 -5.302 1.00 0.00 C ATOM 571 O ALA C 39 19.374 -0.292 -4.840 1.00 0.00 O ATOM 572 CB ALA C 39 18.641 -2.645 -3.479 1.00 0.00 C ATOM 0 H ALA C 39 21.254 -2.026 -3.065 1.00 0.00 H new ATOM 0 HA ALA C 39 19.711 -3.471 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA C 39 17.707 -2.534 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA C 39 18.633 -3.591 -2.938 1.00 0.00 H new ATOM 0 HB3 ALA C 39 18.745 -1.823 -2.771 1.00 0.00 H new ATOM 578 N GLU C 40 20.219 -1.502 -6.553 1.00 0.00 N ATOM 579 CA GLU C 40 20.342 -0.377 -7.486 1.00 0.00 C ATOM 580 C GLU C 40 18.976 0.260 -7.799 1.00 0.00 C ATOM 581 O GLU C 40 18.176 -0.306 -8.544 1.00 0.00 O ATOM 582 CB GLU C 40 21.008 -0.832 -8.793 1.00 0.00 C ATOM 583 CG GLU C 40 21.181 0.282 -9.811 1.00 0.00 C ATOM 584 CD GLU C 40 22.326 1.207 -9.472 1.00 0.00 C ATOM 585 OE1 GLU C 40 22.157 2.091 -8.612 1.00 0.00 O ATOM 586 OE2 GLU C 40 23.411 1.052 -10.070 1.00 0.00 O ATOM 0 H GLU C 40 20.490 -2.400 -6.953 1.00 0.00 H new ATOM 0 HA GLU C 40 20.965 0.375 -7.002 1.00 0.00 H new ATOM 0 HB2 GLU C 40 21.985 -1.257 -8.564 1.00 0.00 H new ATOM 0 HB3 GLU C 40 20.410 -1.628 -9.237 1.00 0.00 H new ATOM 0 HG2 GLU C 40 21.350 -0.154 -10.796 1.00 0.00 H new ATOM 0 HG3 GLU C 40 20.259 0.859 -9.872 1.00 0.00 H new ATOM 593 N PHE C 41 18.704 1.394 -7.151 1.00 0.00 N ATOM 594 CA PHE C 41 17.570 2.271 -7.467 1.00 0.00 C ATOM 595 C PHE C 41 17.631 2.857 -8.875 1.00 0.00 C ATOM 596 O PHE C 41 18.671 2.873 -9.531 1.00 0.00 O ATOM 597 CB PHE C 41 17.515 3.451 -6.486 1.00 0.00 C ATOM 598 CG PHE C 41 16.355 3.428 -5.533 1.00 0.00 C ATOM 599 CD1 PHE C 41 15.107 3.870 -5.931 1.00 0.00 C ATOM 600 CD2 PHE C 41 16.518 2.985 -4.232 1.00 0.00 C ATOM 601 CE1 PHE C 41 14.044 3.870 -5.053 1.00 0.00 C ATOM 602 CE2 PHE C 41 15.457 2.979 -3.347 1.00 0.00 C ATOM 603 CZ PHE C 41 14.219 3.423 -3.759 1.00 0.00 C ATOM 0 H PHE C 41 19.274 1.737 -6.378 1.00 0.00 H new ATOM 0 HA PHE C 41 16.685 1.639 -7.389 1.00 0.00 H new ATOM 0 HB2 PHE C 41 18.440 3.468 -5.909 1.00 0.00 H new ATOM 0 HB3 PHE C 41 17.478 4.378 -7.058 1.00 0.00 H new ATOM 0 HD1 PHE C 41 14.963 4.220 -6.943 1.00 0.00 H new ATOM 0 HD2 PHE C 41 17.487 2.639 -3.904 1.00 0.00 H new ATOM 0 HE1 PHE C 41 13.075 4.220 -5.378 1.00 0.00 H new ATOM 0 HE2 PHE C 41 15.597 2.627 -2.335 1.00 0.00 H new ATOM 0 HZ PHE C 41 13.387 3.421 -3.070 1.00 0.00 H new ATOM 613 N ASP C 42 16.471 3.326 -9.313 1.00 0.00 N ATOM 614 CA ASP C 42 16.342 4.159 -10.501 1.00 0.00 C ATOM 615 C ASP C 42 15.558 5.416 -10.136 1.00 0.00 C ATOM 616 O ASP C 42 15.613 6.433 -10.829 1.00 0.00 O ATOM 617 CB ASP C 42 15.637 3.390 -11.625 1.00 0.00 C ATOM 618 CG ASP C 42 15.239 4.283 -12.786 1.00 0.00 C ATOM 619 OD1 ASP C 42 14.043 4.624 -12.890 1.00 0.00 O ATOM 620 OD2 ASP C 42 16.118 4.656 -13.591 1.00 0.00 O ATOM 0 H ASP C 42 15.583 3.137 -8.848 1.00 0.00 H new ATOM 0 HA ASP C 42 17.332 4.438 -10.861 1.00 0.00 H new ATOM 0 HB2 ASP C 42 16.295 2.601 -11.988 1.00 0.00 H new ATOM 0 HB3 ASP C 42 14.747 2.904 -11.224 1.00 0.00 H new ATOM 625 N GLY C 43 14.841 5.330 -9.022 1.00 0.00 N ATOM 626 CA GLY C 43 14.073 6.457 -8.531 1.00 0.00 C ATOM 627 C GLY C 43 14.912 7.439 -7.727 1.00 0.00 C ATOM 628 O GLY C 43 16.119 7.553 -7.945 1.00 0.00 O ATOM 0 H GLY C 43 14.778 4.491 -8.446 1.00 0.00 H new ATOM 0 HA2 GLY C 43 13.622 6.978 -9.375 1.00 0.00 H new ATOM 0 HA3 GLY C 43 13.256 6.091 -7.909 1.00 0.00 H new ATOM 632 N PRO C 44 14.297 8.140 -6.759 1.00 0.00 N ATOM 633 CA PRO C 44 14.942 9.234 -6.021 1.00 0.00 C ATOM 634 C PRO C 44 15.790 8.777 -4.828 1.00 0.00 C ATOM 635 O PRO C 44 15.844 9.458 -3.804 1.00 0.00 O ATOM 636 CB PRO C 44 13.744 10.047 -5.539 1.00 0.00 C ATOM 637 CG PRO C 44 12.675 9.035 -5.310 1.00 0.00 C ATOM 638 CD PRO C 44 12.905 7.931 -6.313 1.00 0.00 C ATOM 0 HA PRO C 44 15.652 9.774 -6.647 1.00 0.00 H new ATOM 0 HB2 PRO C 44 13.977 10.593 -4.625 1.00 0.00 H new ATOM 0 HB3 PRO C 44 13.440 10.785 -6.282 1.00 0.00 H new ATOM 0 HG2 PRO C 44 12.719 8.649 -4.292 1.00 0.00 H new ATOM 0 HG3 PRO C 44 11.688 9.478 -5.441 1.00 0.00 H new ATOM 0 HD2 PRO C 44 12.774 6.948 -5.862 1.00 0.00 H new ATOM 0 HD3 PRO C 44 12.205 7.996 -7.146 1.00 0.00 H new ATOM 646 N TYR C 45 16.455 7.639 -4.961 1.00 0.00 N ATOM 647 CA TYR C 45 17.339 7.136 -3.911 1.00 0.00 C ATOM 648 C TYR C 45 18.584 6.518 -4.539 1.00 0.00 C ATOM 649 O TYR C 45 18.735 6.539 -5.760 1.00 0.00 O ATOM 650 CB TYR C 45 16.633 6.101 -3.026 1.00 0.00 C ATOM 651 CG TYR C 45 15.511 6.649 -2.168 1.00 0.00 C ATOM 652 CD1 TYR C 45 15.764 7.153 -0.899 1.00 0.00 C ATOM 653 CD2 TYR C 45 14.197 6.645 -2.622 1.00 0.00 C ATOM 654 CE1 TYR C 45 14.740 7.637 -0.106 1.00 0.00 C ATOM 655 CE2 TYR C 45 13.169 7.130 -1.836 1.00 0.00 C ATOM 656 CZ TYR C 45 13.446 7.623 -0.580 1.00 0.00 C ATOM 657 OH TYR C 45 12.421 8.100 0.206 1.00 0.00 O ATOM 0 H TYR C 45 16.401 7.042 -5.787 1.00 0.00 H new ATOM 0 HA TYR C 45 17.623 7.977 -3.279 1.00 0.00 H new ATOM 0 HB2 TYR C 45 16.231 5.314 -3.664 1.00 0.00 H new ATOM 0 HB3 TYR C 45 17.374 5.636 -2.375 1.00 0.00 H new ATOM 0 HD1 TYR C 45 16.777 7.167 -0.525 1.00 0.00 H new ATOM 0 HD2 TYR C 45 13.976 6.256 -3.605 1.00 0.00 H new ATOM 0 HE1 TYR C 45 14.953 8.024 0.880 1.00 0.00 H new ATOM 0 HE2 TYR C 45 12.154 7.123 -2.205 1.00 0.00 H new ATOM 0 HH TYR C 45 11.573 8.019 -0.278 1.00 0.00 H new ATOM 667 N ALA C 46 19.465 5.967 -3.712 1.00 0.00 N ATOM 668 CA ALA C 46 20.712 5.386 -4.198 1.00 0.00 C ATOM 669 C ALA C 46 20.623 3.865 -4.298 1.00 0.00 C ATOM 670 O ALA C 46 19.533 3.297 -4.298 1.00 0.00 O ATOM 671 CB ALA C 46 21.860 5.791 -3.283 1.00 0.00 C ATOM 0 H ALA C 46 19.339 5.910 -2.701 1.00 0.00 H new ATOM 0 HA ALA C 46 20.896 5.770 -5.202 1.00 0.00 H new ATOM 0 HB1 ALA C 46 22.789 5.355 -3.650 1.00 0.00 H new ATOM 0 HB2 ALA C 46 21.949 6.877 -3.270 1.00 0.00 H new ATOM 0 HB3 ALA C 46 21.664 5.431 -2.273 1.00 0.00 H new ATOM 677 N ASP C 47 21.768 3.208 -4.424 1.00 0.00 N ATOM 678 CA ASP C 47 21.818 1.758 -4.319 1.00 0.00 C ATOM 679 C ASP C 47 22.171 1.382 -2.887 1.00 0.00 C ATOM 680 O ASP C 47 23.221 1.765 -2.371 1.00 0.00 O ATOM 681 CB ASP C 47 22.813 1.142 -5.323 1.00 0.00 C ATOM 682 CG ASP C 47 24.257 1.544 -5.095 1.00 0.00 C ATOM 683 OD1 ASP C 47 25.019 0.751 -4.498 1.00 0.00 O ATOM 684 OD2 ASP C 47 24.650 2.646 -5.537 1.00 0.00 O ATOM 0 H ASP C 47 22.669 3.654 -4.598 1.00 0.00 H new ATOM 0 HA ASP C 47 20.839 1.351 -4.572 1.00 0.00 H new ATOM 0 HB2 ASP C 47 22.738 0.056 -5.272 1.00 0.00 H new ATOM 0 HB3 ASP C 47 22.521 1.434 -6.332 1.00 0.00 H new ATOM 689 N GLN C 48 21.272 0.671 -2.227 1.00 0.00 N ATOM 690 CA GLN C 48 21.445 0.377 -0.812 1.00 0.00 C ATOM 691 C GLN C 48 22.075 -0.988 -0.625 1.00 0.00 C ATOM 692 O GLN C 48 21.533 -1.996 -1.077 1.00 0.00 O ATOM 693 CB GLN C 48 20.111 0.450 -0.055 1.00 0.00 C ATOM 694 CG GLN C 48 19.465 1.830 -0.071 1.00 0.00 C ATOM 695 CD GLN C 48 18.724 2.119 -1.362 1.00 0.00 C ATOM 696 OE1 GLN C 48 18.159 1.216 -1.989 1.00 0.00 O ATOM 697 NE2 GLN C 48 18.745 3.371 -1.789 1.00 0.00 N ATOM 0 H GLN C 48 20.422 0.289 -2.642 1.00 0.00 H new ATOM 0 HA GLN C 48 22.110 1.135 -0.398 1.00 0.00 H new ATOM 0 HB2 GLN C 48 19.418 -0.270 -0.491 1.00 0.00 H new ATOM 0 HB3 GLN C 48 20.275 0.149 0.980 1.00 0.00 H new ATOM 0 HG2 GLN C 48 18.772 1.911 0.766 1.00 0.00 H new ATOM 0 HG3 GLN C 48 20.234 2.588 0.078 1.00 0.00 H new ATOM 0 HE21 GLN C 48 19.222 4.088 -1.243 1.00 0.00 H new ATOM 0 HE22 GLN C 48 18.284 3.619 -2.664 1.00 0.00 H new ATOM 706 N TYR C 49 23.223 -1.011 0.027 1.00 0.00 N ATOM 707 CA TYR C 49 23.923 -2.251 0.298 1.00 0.00 C ATOM 708 C TYR C 49 23.756 -2.636 1.759 1.00 0.00 C ATOM 709 O TYR C 49 23.787 -1.782 2.641 1.00 0.00 O ATOM 710 CB TYR C 49 25.412 -2.131 -0.060 1.00 0.00 C ATOM 711 CG TYR C 49 26.136 -0.994 0.632 1.00 0.00 C ATOM 712 CD1 TYR C 49 26.812 -1.198 1.830 1.00 0.00 C ATOM 713 CD2 TYR C 49 26.147 0.282 0.084 1.00 0.00 C ATOM 714 CE1 TYR C 49 27.472 -0.161 2.461 1.00 0.00 C ATOM 715 CE2 TYR C 49 26.805 1.322 0.708 1.00 0.00 C ATOM 716 CZ TYR C 49 27.466 1.097 1.895 1.00 0.00 C ATOM 717 OH TYR C 49 28.123 2.133 2.516 1.00 0.00 O ATOM 0 H TYR C 49 23.693 -0.177 0.381 1.00 0.00 H new ATOM 0 HA TYR C 49 23.490 -3.034 -0.325 1.00 0.00 H new ATOM 0 HB2 TYR C 49 25.909 -3.068 0.191 1.00 0.00 H new ATOM 0 HB3 TYR C 49 25.504 -2.000 -1.138 1.00 0.00 H new ATOM 0 HD1 TYR C 49 26.821 -2.182 2.274 1.00 0.00 H new ATOM 0 HD2 TYR C 49 25.631 0.464 -0.847 1.00 0.00 H new ATOM 0 HE1 TYR C 49 27.990 -0.334 3.393 1.00 0.00 H new ATOM 0 HE2 TYR C 49 26.802 2.308 0.267 1.00 0.00 H new ATOM 0 HH TYR C 49 28.021 2.950 1.985 1.00 0.00 H new ATOM 727 N MET C 50 23.556 -3.915 2.004 1.00 0.00 N ATOM 728 CA MET C 50 23.408 -4.418 3.358 1.00 0.00 C ATOM 729 C MET C 50 24.445 -5.500 3.613 1.00 0.00 C ATOM 730 O MET C 50 24.831 -6.220 2.691 1.00 0.00 O ATOM 731 CB MET C 50 21.997 -4.976 3.570 1.00 0.00 C ATOM 732 CG MET C 50 20.899 -3.932 3.439 1.00 0.00 C ATOM 733 SD MET C 50 20.957 -2.690 4.747 1.00 0.00 S ATOM 734 CE MET C 50 19.712 -1.539 4.174 1.00 0.00 C ATOM 0 H MET C 50 23.492 -4.630 1.280 1.00 0.00 H new ATOM 0 HA MET C 50 23.562 -3.599 4.061 1.00 0.00 H new ATOM 0 HB2 MET C 50 21.818 -5.771 2.846 1.00 0.00 H new ATOM 0 HB3 MET C 50 21.940 -5.428 4.560 1.00 0.00 H new ATOM 0 HG2 MET C 50 20.987 -3.438 2.471 1.00 0.00 H new ATOM 0 HG3 MET C 50 19.928 -4.428 3.457 1.00 0.00 H new ATOM 0 HE1 MET C 50 19.629 -0.712 4.879 1.00 0.00 H new ATOM 0 HE2 MET C 50 19.996 -1.154 3.194 1.00 0.00 H new ATOM 0 HE3 MET C 50 18.752 -2.049 4.099 1.00 0.00 H new ATOM 744 N SER C 51 24.900 -5.593 4.853 1.00 0.00 N ATOM 745 CA SER C 51 25.887 -6.588 5.249 1.00 0.00 C ATOM 746 C SER C 51 25.360 -8.009 5.068 1.00 0.00 C ATOM 747 O SER C 51 24.156 -8.231 5.112 1.00 0.00 O ATOM 748 CB SER C 51 26.278 -6.352 6.701 1.00 0.00 C ATOM 749 OG SER C 51 25.336 -5.508 7.340 1.00 0.00 O ATOM 0 H SER C 51 24.597 -4.983 5.612 1.00 0.00 H new ATOM 0 HA SER C 51 26.761 -6.482 4.606 1.00 0.00 H new ATOM 0 HB2 SER C 51 26.336 -7.305 7.227 1.00 0.00 H new ATOM 0 HB3 SER C 51 27.269 -5.901 6.748 1.00 0.00 H new ATOM 0 HG SER C 51 25.602 -5.368 8.273 1.00 0.00 H new ATOM 755 N ALA C 52 26.265 -8.960 4.880 1.00 0.00 N ATOM 756 CA ALA C 52 25.900 -10.341 4.572 1.00 0.00 C ATOM 757 C ALA C 52 24.914 -10.922 5.572 1.00 0.00 C ATOM 758 O ALA C 52 23.825 -11.360 5.192 1.00 0.00 O ATOM 759 CB ALA C 52 27.142 -11.207 4.505 1.00 0.00 C ATOM 0 H ALA C 52 27.271 -8.799 4.936 1.00 0.00 H new ATOM 0 HA ALA C 52 25.405 -10.331 3.601 1.00 0.00 H new ATOM 0 HB1 ALA C 52 26.858 -12.234 4.275 1.00 0.00 H new ATOM 0 HB2 ALA C 52 27.806 -10.831 3.727 1.00 0.00 H new ATOM 0 HB3 ALA C 52 27.657 -11.180 5.465 1.00 0.00 H new ATOM 765 N GLN C 53 25.290 -10.924 6.847 1.00 0.00 N ATOM 766 CA GLN C 53 24.415 -11.444 7.893 1.00 0.00 C ATOM 767 C GLN C 53 23.104 -10.663 7.922 1.00 0.00 C ATOM 768 O GLN C 53 22.049 -11.192 8.276 1.00 0.00 O ATOM 769 CB GLN C 53 25.110 -11.391 9.258 1.00 0.00 C ATOM 770 CG GLN C 53 25.567 -9.999 9.672 1.00 0.00 C ATOM 771 CD GLN C 53 26.310 -10.004 10.994 1.00 0.00 C ATOM 772 OE1 GLN C 53 26.954 -10.989 11.354 1.00 0.00 O ATOM 773 NE2 GLN C 53 26.238 -8.902 11.721 1.00 0.00 N ATOM 0 H GLN C 53 26.188 -10.574 7.180 1.00 0.00 H new ATOM 0 HA GLN C 53 24.191 -12.487 7.670 1.00 0.00 H new ATOM 0 HB2 GLN C 53 24.428 -11.778 10.016 1.00 0.00 H new ATOM 0 HB3 GLN C 53 25.975 -12.054 9.239 1.00 0.00 H new ATOM 0 HG2 GLN C 53 26.213 -9.586 8.897 1.00 0.00 H new ATOM 0 HG3 GLN C 53 24.700 -9.343 9.748 1.00 0.00 H new ATOM 0 HE21 GLN C 53 25.694 -8.106 11.388 1.00 0.00 H new ATOM 0 HE22 GLN C 53 26.727 -8.848 12.615 1.00 0.00 H new ATOM 782 N THR C 54 23.170 -9.413 7.497 1.00 0.00 N ATOM 783 CA THR C 54 22.000 -8.562 7.466 1.00 0.00 C ATOM 784 C THR C 54 21.104 -8.946 6.290 1.00 0.00 C ATOM 785 O THR C 54 19.880 -8.960 6.402 1.00 0.00 O ATOM 786 CB THR C 54 22.405 -7.080 7.374 1.00 0.00 C ATOM 787 OG1 THR C 54 23.341 -6.782 8.418 1.00 0.00 O ATOM 788 CG2 THR C 54 21.196 -6.164 7.496 1.00 0.00 C ATOM 0 H THR C 54 24.026 -8.967 7.168 1.00 0.00 H new ATOM 0 HA THR C 54 21.444 -8.704 8.393 1.00 0.00 H new ATOM 0 HB THR C 54 22.860 -6.908 6.398 1.00 0.00 H new ATOM 0 HG1 THR C 54 23.886 -6.010 8.158 1.00 0.00 H new ATOM 0 HG21 THR C 54 21.518 -5.125 7.427 1.00 0.00 H new ATOM 0 HG22 THR C 54 20.493 -6.380 6.692 1.00 0.00 H new ATOM 0 HG23 THR C 54 20.709 -6.330 8.457 1.00 0.00 H new ATOM 796 N VAL C 55 21.730 -9.305 5.175 1.00 0.00 N ATOM 797 CA VAL C 55 21.004 -9.726 3.978 1.00 0.00 C ATOM 798 C VAL C 55 20.414 -11.121 4.186 1.00 0.00 C ATOM 799 O VAL C 55 19.549 -11.566 3.440 1.00 0.00 O ATOM 800 CB VAL C 55 21.927 -9.712 2.720 1.00 0.00 C ATOM 801 CG1 VAL C 55 21.259 -10.301 1.471 1.00 0.00 C ATOM 802 CG2 VAL C 55 22.393 -8.298 2.431 1.00 0.00 C ATOM 0 H VAL C 55 22.745 -9.313 5.073 1.00 0.00 H new ATOM 0 HA VAL C 55 20.194 -9.016 3.807 1.00 0.00 H new ATOM 0 HB VAL C 55 22.779 -10.350 2.955 1.00 0.00 H new ATOM 0 HG11 VAL C 55 21.955 -10.261 0.633 1.00 0.00 H new ATOM 0 HG12 VAL C 55 20.980 -11.337 1.662 1.00 0.00 H new ATOM 0 HG13 VAL C 55 20.366 -9.724 1.229 1.00 0.00 H new ATOM 0 HG21 VAL C 55 23.036 -8.300 1.551 1.00 0.00 H new ATOM 0 HG22 VAL C 55 21.528 -7.660 2.247 1.00 0.00 H new ATOM 0 HG23 VAL C 55 22.950 -7.916 3.287 1.00 0.00 H new ATOM 812 N ALA C 56 20.873 -11.808 5.217 1.00 0.00 N ATOM 813 CA ALA C 56 20.321 -13.104 5.557 1.00 0.00 C ATOM 814 C ALA C 56 18.932 -12.939 6.154 1.00 0.00 C ATOM 815 O ALA C 56 18.031 -13.742 5.899 1.00 0.00 O ATOM 816 CB ALA C 56 21.237 -13.853 6.512 1.00 0.00 C ATOM 0 H ALA C 56 21.624 -11.490 5.830 1.00 0.00 H new ATOM 0 HA ALA C 56 20.240 -13.696 4.645 1.00 0.00 H new ATOM 0 HB1 ALA C 56 20.799 -14.822 6.751 1.00 0.00 H new ATOM 0 HB2 ALA C 56 22.210 -14.000 6.043 1.00 0.00 H new ATOM 0 HB3 ALA C 56 21.359 -13.274 7.428 1.00 0.00 H new ATOM 822 N VAL C 57 18.748 -11.879 6.927 1.00 0.00 N ATOM 823 CA VAL C 57 17.433 -11.603 7.496 1.00 0.00 C ATOM 824 C VAL C 57 16.600 -10.821 6.495 1.00 0.00 C ATOM 825 O VAL C 57 15.409 -11.068 6.337 1.00 0.00 O ATOM 826 CB VAL C 57 17.488 -10.795 8.812 1.00 0.00 C ATOM 827 CG1 VAL C 57 16.232 -11.034 9.636 1.00 0.00 C ATOM 828 CG2 VAL C 57 18.737 -11.119 9.618 1.00 0.00 C ATOM 0 H VAL C 57 19.475 -11.207 7.172 1.00 0.00 H new ATOM 0 HA VAL C 57 16.989 -12.573 7.721 1.00 0.00 H new ATOM 0 HB VAL C 57 17.536 -9.738 8.552 1.00 0.00 H new ATOM 0 HG11 VAL C 57 16.287 -10.457 10.559 1.00 0.00 H new ATOM 0 HG12 VAL C 57 15.357 -10.722 9.065 1.00 0.00 H new ATOM 0 HG13 VAL C 57 16.150 -12.094 9.875 1.00 0.00 H new ATOM 0 HG21 VAL C 57 18.740 -10.532 10.536 1.00 0.00 H new ATOM 0 HG22 VAL C 57 18.745 -12.180 9.866 1.00 0.00 H new ATOM 0 HG23 VAL C 57 19.622 -10.878 9.030 1.00 0.00 H new ATOM 838 N PHE C 58 17.253 -9.913 5.786 1.00 0.00 N ATOM 839 CA PHE C 58 16.555 -8.983 4.904 1.00 0.00 C ATOM 840 C PHE C 58 16.658 -9.393 3.440 1.00 0.00 C ATOM 841 O PHE C 58 16.490 -8.558 2.551 1.00 0.00 O ATOM 842 CB PHE C 58 17.109 -7.570 5.071 1.00 0.00 C ATOM 843 CG PHE C 58 16.777 -6.937 6.391 1.00 0.00 C ATOM 844 CD1 PHE C 58 15.580 -6.265 6.567 1.00 0.00 C ATOM 845 CD2 PHE C 58 17.664 -7.006 7.452 1.00 0.00 C ATOM 846 CE1 PHE C 58 15.272 -5.673 7.777 1.00 0.00 C ATOM 847 CE2 PHE C 58 17.362 -6.417 8.664 1.00 0.00 C ATOM 848 CZ PHE C 58 16.166 -5.750 8.827 1.00 0.00 C ATOM 0 H PHE C 58 18.266 -9.798 5.803 1.00 0.00 H new ATOM 0 HA PHE C 58 15.503 -9.005 5.190 1.00 0.00 H new ATOM 0 HB2 PHE C 58 18.193 -7.599 4.956 1.00 0.00 H new ATOM 0 HB3 PHE C 58 16.720 -6.941 4.270 1.00 0.00 H new ATOM 0 HD1 PHE C 58 14.878 -6.203 5.749 1.00 0.00 H new ATOM 0 HD2 PHE C 58 18.603 -7.526 7.330 1.00 0.00 H new ATOM 0 HE1 PHE C 58 14.335 -5.151 7.901 1.00 0.00 H new ATOM 0 HE2 PHE C 58 18.062 -6.479 9.484 1.00 0.00 H new ATOM 0 HZ PHE C 58 15.929 -5.289 9.774 1.00 0.00 H new ATOM 858 N LYS C 59 16.963 -10.665 3.204 1.00 0.00 N ATOM 859 CA LYS C 59 17.022 -11.210 1.842 1.00 0.00 C ATOM 860 C LYS C 59 15.772 -10.847 1.030 1.00 0.00 C ATOM 861 O LYS C 59 14.662 -11.258 1.360 1.00 0.00 O ATOM 862 CB LYS C 59 17.259 -12.740 1.832 1.00 0.00 C ATOM 863 CG LYS C 59 16.694 -13.541 3.014 1.00 0.00 C ATOM 864 CD LYS C 59 15.176 -13.491 3.098 1.00 0.00 C ATOM 865 CE LYS C 59 14.655 -14.300 4.275 1.00 0.00 C ATOM 866 NZ LYS C 59 15.147 -13.772 5.577 1.00 0.00 N ATOM 0 H LYS C 59 17.174 -11.343 3.936 1.00 0.00 H new ATOM 0 HA LYS C 59 17.882 -10.744 1.362 1.00 0.00 H new ATOM 0 HB2 LYS C 59 16.831 -13.143 0.914 1.00 0.00 H new ATOM 0 HB3 LYS C 59 18.334 -12.916 1.786 1.00 0.00 H new ATOM 0 HG2 LYS C 59 17.013 -14.580 2.927 1.00 0.00 H new ATOM 0 HG3 LYS C 59 17.116 -13.155 3.942 1.00 0.00 H new ATOM 0 HD2 LYS C 59 14.850 -12.455 3.195 1.00 0.00 H new ATOM 0 HD3 LYS C 59 14.747 -13.875 2.173 1.00 0.00 H new ATOM 0 HE2 LYS C 59 13.565 -14.289 4.268 1.00 0.00 H new ATOM 0 HE3 LYS C 59 14.964 -15.340 4.165 1.00 0.00 H new ATOM 0 HZ1 LYS C 59 14.628 -14.227 6.355 1.00 0.00 H new ATOM 0 HZ2 LYS C 59 16.162 -13.975 5.673 1.00 0.00 H new ATOM 0 HZ3 LYS C 59 14.995 -12.744 5.614 1.00 0.00 H new ATOM 880 N PRO C 60 15.928 -10.042 -0.034 1.00 0.00 N ATOM 881 CA PRO C 60 14.826 -9.575 -0.840 1.00 0.00 C ATOM 882 C PRO C 60 14.643 -10.404 -2.104 1.00 0.00 C ATOM 883 O PRO C 60 15.134 -11.531 -2.212 1.00 0.00 O ATOM 884 CB PRO C 60 15.272 -8.148 -1.202 1.00 0.00 C ATOM 885 CG PRO C 60 16.752 -8.096 -0.943 1.00 0.00 C ATOM 886 CD PRO C 60 17.172 -9.490 -0.561 1.00 0.00 C ATOM 0 HA PRO C 60 13.870 -9.636 -0.321 1.00 0.00 H new ATOM 0 HB2 PRO C 60 15.051 -7.923 -2.245 1.00 0.00 H new ATOM 0 HB3 PRO C 60 14.744 -7.410 -0.598 1.00 0.00 H new ATOM 0 HG2 PRO C 60 17.289 -7.759 -1.830 1.00 0.00 H new ATOM 0 HG3 PRO C 60 16.981 -7.390 -0.145 1.00 0.00 H new ATOM 0 HD2 PRO C 60 17.540 -10.055 -1.417 1.00 0.00 H new ATOM 0 HD3 PRO C 60 17.967 -9.488 0.185 1.00 0.00 H new ATOM 894 N GLU C 61 13.935 -9.814 -3.048 1.00 0.00 N ATOM 895 CA GLU C 61 13.651 -10.414 -4.344 1.00 0.00 C ATOM 896 C GLU C 61 13.381 -9.302 -5.343 1.00 0.00 C ATOM 897 O GLU C 61 12.791 -8.285 -4.985 1.00 0.00 O ATOM 898 CB GLU C 61 12.427 -11.338 -4.273 1.00 0.00 C ATOM 899 CG GLU C 61 12.686 -12.670 -3.588 1.00 0.00 C ATOM 900 CD GLU C 61 11.477 -13.578 -3.609 1.00 0.00 C ATOM 901 OE1 GLU C 61 11.112 -14.062 -4.701 1.00 0.00 O ATOM 902 OE2 GLU C 61 10.886 -13.820 -2.534 1.00 0.00 O ATOM 0 H GLU C 61 13.531 -8.884 -2.936 1.00 0.00 H new ATOM 0 HA GLU C 61 14.510 -11.011 -4.651 1.00 0.00 H new ATOM 0 HB2 GLU C 61 11.626 -10.821 -3.744 1.00 0.00 H new ATOM 0 HB3 GLU C 61 12.070 -11.527 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU C 61 13.521 -13.171 -4.079 1.00 0.00 H new ATOM 0 HG3 GLU C 61 12.984 -12.491 -2.555 1.00 0.00 H new ATOM 909 N VAL C 62 13.813 -9.483 -6.582 1.00 0.00 N ATOM 910 CA VAL C 62 13.580 -8.499 -7.616 1.00 0.00 C ATOM 911 C VAL C 62 12.101 -8.473 -7.943 1.00 0.00 C ATOM 912 O VAL C 62 11.556 -9.414 -8.522 1.00 0.00 O ATOM 913 CB VAL C 62 14.395 -8.791 -8.892 1.00 0.00 C ATOM 914 CG1 VAL C 62 14.219 -7.671 -9.905 1.00 0.00 C ATOM 915 CG2 VAL C 62 15.866 -8.988 -8.558 1.00 0.00 C ATOM 0 H VAL C 62 14.328 -10.307 -6.892 1.00 0.00 H new ATOM 0 HA VAL C 62 13.906 -7.528 -7.242 1.00 0.00 H new ATOM 0 HB VAL C 62 14.021 -9.715 -9.334 1.00 0.00 H new ATOM 0 HG11 VAL C 62 14.801 -7.894 -10.799 1.00 0.00 H new ATOM 0 HG12 VAL C 62 13.166 -7.583 -10.171 1.00 0.00 H new ATOM 0 HG13 VAL C 62 14.564 -6.732 -9.473 1.00 0.00 H new ATOM 0 HG21 VAL C 62 16.423 -9.193 -9.473 1.00 0.00 H new ATOM 0 HG22 VAL C 62 16.257 -8.085 -8.090 1.00 0.00 H new ATOM 0 HG23 VAL C 62 15.974 -9.828 -7.872 1.00 0.00 H new ATOM 925 N GLY C 63 11.465 -7.391 -7.558 1.00 0.00 N ATOM 926 CA GLY C 63 10.021 -7.309 -7.645 1.00 0.00 C ATOM 927 C GLY C 63 9.320 -7.727 -6.353 1.00 0.00 C ATOM 928 O GLY C 63 8.114 -7.973 -6.356 1.00 0.00 O ATOM 0 H GLY C 63 11.919 -6.558 -7.183 1.00 0.00 H new ATOM 0 HA2 GLY C 63 9.735 -6.287 -7.893 1.00 0.00 H new ATOM 0 HA3 GLY C 63 9.675 -7.943 -8.461 1.00 0.00 H new ATOM 932 N GLY C 64 10.063 -7.805 -5.245 1.00 0.00 N ATOM 933 CA GLY C 64 9.467 -8.234 -3.984 1.00 0.00 C ATOM 934 C GLY C 64 9.899 -7.403 -2.781 1.00 0.00 C ATOM 935 O GLY C 64 10.554 -7.913 -1.878 1.00 0.00 O ATOM 0 H GLY C 64 11.057 -7.581 -5.198 1.00 0.00 H new ATOM 0 HA2 GLY C 64 8.382 -8.189 -4.073 1.00 0.00 H new ATOM 0 HA3 GLY C 64 9.730 -9.277 -3.806 1.00 0.00 H new ATOM 939 N TYR C 65 9.545 -6.123 -2.793 1.00 0.00 N ATOM 940 CA TYR C 65 9.768 -5.201 -1.669 1.00 0.00 C ATOM 941 C TYR C 65 8.687 -4.131 -1.728 1.00 0.00 C ATOM 942 O TYR C 65 7.773 -4.254 -2.537 1.00 0.00 O ATOM 943 CB TYR C 65 11.171 -4.579 -1.699 1.00 0.00 C ATOM 944 CG TYR C 65 12.019 -4.950 -0.497 1.00 0.00 C ATOM 945 CD1 TYR C 65 12.481 -3.979 0.383 1.00 0.00 C ATOM 946 CD2 TYR C 65 12.345 -6.274 -0.236 1.00 0.00 C ATOM 947 CE1 TYR C 65 13.246 -4.319 1.486 1.00 0.00 C ATOM 948 CE2 TYR C 65 13.108 -6.622 0.862 1.00 0.00 C ATOM 949 CZ TYR C 65 13.556 -5.643 1.719 1.00 0.00 C ATOM 950 OH TYR C 65 14.318 -5.993 2.813 1.00 0.00 O ATOM 0 H TYR C 65 9.088 -5.683 -3.592 1.00 0.00 H new ATOM 0 HA TYR C 65 9.708 -5.751 -0.730 1.00 0.00 H new ATOM 0 HB2 TYR C 65 11.682 -4.897 -2.608 1.00 0.00 H new ATOM 0 HB3 TYR C 65 11.079 -3.494 -1.749 1.00 0.00 H new ATOM 0 HD1 TYR C 65 12.239 -2.942 0.204 1.00 0.00 H new ATOM 0 HD2 TYR C 65 11.995 -7.047 -0.904 1.00 0.00 H new ATOM 0 HE1 TYR C 65 13.598 -3.552 2.160 1.00 0.00 H new ATOM 0 HE2 TYR C 65 13.352 -7.658 1.047 1.00 0.00 H new ATOM 0 HH TYR C 65 14.442 -6.965 2.828 1.00 0.00 H new ATOM 960 N LEU C 66 8.770 -3.080 -0.919 1.00 0.00 N ATOM 961 CA LEU C 66 7.646 -2.157 -0.843 1.00 0.00 C ATOM 962 C LEU C 66 7.979 -0.862 -0.108 1.00 0.00 C ATOM 963 O LEU C 66 8.214 0.170 -0.733 1.00 0.00 O ATOM 964 CB LEU C 66 6.462 -2.843 -0.155 1.00 0.00 C ATOM 965 CG LEU C 66 5.094 -2.602 -0.793 1.00 0.00 C ATOM 966 CD1 LEU C 66 4.018 -3.302 0.014 1.00 0.00 C ATOM 967 CD2 LEU C 66 4.794 -1.112 -0.915 1.00 0.00 C ATOM 0 H LEU C 66 9.570 -2.852 -0.329 1.00 0.00 H new ATOM 0 HA LEU C 66 7.393 -1.885 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU C 66 6.649 -3.917 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU C 66 6.423 -2.507 0.881 1.00 0.00 H new ATOM 0 HG LEU C 66 5.107 -3.017 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU C 66 3.046 -3.126 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU C 66 4.220 -4.373 0.038 1.00 0.00 H new ATOM 0 HD13 LEU C 66 4.014 -2.911 1.031 1.00 0.00 H new ATOM 0 HD21 LEU C 66 3.814 -0.974 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU C 66 4.799 -0.658 0.076 1.00 0.00 H new ATOM 0 HD23 LEU C 66 5.554 -0.637 -1.536 1.00 0.00 H new ATOM 979 N PHE C 67 7.986 -0.907 1.216 1.00 0.00 N ATOM 980 CA PHE C 67 7.984 0.322 1.991 1.00 0.00 C ATOM 981 C PHE C 67 8.684 0.165 3.326 1.00 0.00 C ATOM 982 O PHE C 67 9.005 -0.947 3.746 1.00 0.00 O ATOM 983 CB PHE C 67 6.541 0.778 2.203 1.00 0.00 C ATOM 984 CG PHE C 67 5.774 -0.035 3.213 1.00 0.00 C ATOM 985 CD1 PHE C 67 5.778 0.314 4.554 1.00 0.00 C ATOM 986 CD2 PHE C 67 5.048 -1.139 2.817 1.00 0.00 C ATOM 987 CE1 PHE C 67 5.069 -0.425 5.481 1.00 0.00 C ATOM 988 CE2 PHE C 67 4.335 -1.886 3.737 1.00 0.00 C ATOM 989 CZ PHE C 67 4.346 -1.528 5.071 1.00 0.00 C ATOM 0 H PHE C 67 7.993 -1.765 1.767 1.00 0.00 H new ATOM 0 HA PHE C 67 8.539 1.074 1.430 1.00 0.00 H new ATOM 0 HB2 PHE C 67 6.545 1.820 2.521 1.00 0.00 H new ATOM 0 HB3 PHE C 67 6.016 0.738 1.248 1.00 0.00 H new ATOM 0 HD1 PHE C 67 6.343 1.175 4.879 1.00 0.00 H new ATOM 0 HD2 PHE C 67 5.036 -1.424 1.775 1.00 0.00 H new ATOM 0 HE1 PHE C 67 5.080 -0.141 6.523 1.00 0.00 H new ATOM 0 HE2 PHE C 67 3.771 -2.748 3.413 1.00 0.00 H new ATOM 0 HZ PHE C 67 3.790 -2.109 5.792 1.00 0.00 H new ATOM 999 N ARG C 68 8.906 1.296 3.983 1.00 0.00 N ATOM 1000 CA ARG C 68 9.516 1.329 5.297 1.00 0.00 C ATOM 1001 C ARG C 68 9.023 2.557 6.045 1.00 0.00 C ATOM 1002 O ARG C 68 9.026 3.658 5.498 1.00 0.00 O ATOM 1003 CB ARG C 68 11.041 1.353 5.191 1.00 0.00 C ATOM 1004 CG ARG C 68 11.728 1.503 6.536 1.00 0.00 C ATOM 1005 CD ARG C 68 13.239 1.506 6.404 1.00 0.00 C ATOM 1006 NE ARG C 68 13.886 1.800 7.680 1.00 0.00 N ATOM 1007 CZ ARG C 68 15.121 1.426 8.003 1.00 0.00 C ATOM 1008 NH1 ARG C 68 15.864 0.734 7.147 1.00 0.00 N ATOM 1009 NH2 ARG C 68 15.619 1.758 9.185 1.00 0.00 N ATOM 0 H ARG C 68 8.666 2.216 3.615 1.00 0.00 H new ATOM 0 HA ARG C 68 9.232 0.428 5.841 1.00 0.00 H new ATOM 0 HB2 ARG C 68 11.381 0.432 4.717 1.00 0.00 H new ATOM 0 HB3 ARG C 68 11.341 2.176 4.542 1.00 0.00 H new ATOM 0 HG2 ARG C 68 11.403 2.430 7.008 1.00 0.00 H new ATOM 0 HG3 ARG C 68 11.423 0.688 7.192 1.00 0.00 H new ATOM 0 HD2 ARG C 68 13.576 0.536 6.039 1.00 0.00 H new ATOM 0 HD3 ARG C 68 13.539 2.247 5.663 1.00 0.00 H new ATOM 0 HE ARG C 68 13.354 2.329 8.371 1.00 0.00 H new ATOM 0 HH11 ARG C 68 15.489 0.484 6.232 1.00 0.00 H new ATOM 0 HH12 ARG C 68 16.810 0.452 7.405 1.00 0.00 H new ATOM 0 HH21 ARG C 68 15.056 2.298 9.842 1.00 0.00 H new ATOM 0 HH22 ARG C 68 16.565 1.474 9.438 1.00 0.00 H new ATOM 1023 N SER C 69 8.583 2.378 7.274 1.00 0.00 N ATOM 1024 CA SER C 69 8.092 3.494 8.051 1.00 0.00 C ATOM 1025 C SER C 69 9.170 4.027 8.968 1.00 0.00 C ATOM 1026 O SER C 69 10.255 3.453 9.092 1.00 0.00 O ATOM 1027 CB SER C 69 6.877 3.087 8.882 1.00 0.00 C ATOM 1028 OG SER C 69 7.235 2.145 9.879 1.00 0.00 O ATOM 0 H SER C 69 8.556 1.477 7.752 1.00 0.00 H new ATOM 0 HA SER C 69 7.799 4.277 7.351 1.00 0.00 H new ATOM 0 HB2 SER C 69 6.440 3.969 9.350 1.00 0.00 H new ATOM 0 HB3 SER C 69 6.113 2.661 8.231 1.00 0.00 H new ATOM 0 HG SER C 69 6.440 1.898 10.396 1.00 0.00 H new ATOM 1034 N GLN C 70 8.827 5.107 9.640 1.00 0.00 N ATOM 1035 CA GLN C 70 9.729 5.782 10.563 1.00 0.00 C ATOM 1036 C GLN C 70 9.853 4.984 11.855 1.00 0.00 C ATOM 1037 O GLN C 70 10.583 5.361 12.770 1.00 0.00 O ATOM 1038 CB GLN C 70 9.198 7.181 10.859 1.00 0.00 C ATOM 1039 CG GLN C 70 8.919 7.997 9.609 1.00 0.00 C ATOM 1040 CD GLN C 70 8.181 9.284 9.910 1.00 0.00 C ATOM 1041 OE1 GLN C 70 8.794 10.323 10.151 1.00 0.00 O ATOM 1042 NE2 GLN C 70 6.858 9.222 9.896 1.00 0.00 N ATOM 0 H GLN C 70 7.910 5.547 9.564 1.00 0.00 H new ATOM 0 HA GLN C 70 10.716 5.860 10.108 1.00 0.00 H new ATOM 0 HB2 GLN C 70 8.281 7.098 11.442 1.00 0.00 H new ATOM 0 HB3 GLN C 70 9.921 7.713 11.477 1.00 0.00 H new ATOM 0 HG2 GLN C 70 9.861 8.230 9.113 1.00 0.00 H new ATOM 0 HG3 GLN C 70 8.331 7.399 8.912 1.00 0.00 H new ATOM 0 HE21 GLN C 70 6.391 8.339 9.691 1.00 0.00 H new ATOM 0 HE22 GLN C 70 6.306 10.058 10.090 1.00 0.00 H new ATOM 1051 N TYR C 71 9.120 3.878 11.915 1.00 0.00 N ATOM 1052 CA TYR C 71 9.137 2.995 13.069 1.00 0.00 C ATOM 1053 C TYR C 71 9.945 1.747 12.744 1.00 0.00 C ATOM 1054 O TYR C 71 10.054 0.828 13.555 1.00 0.00 O ATOM 1055 CB TYR C 71 7.708 2.606 13.456 1.00 0.00 C ATOM 1056 CG TYR C 71 6.769 3.787 13.566 1.00 0.00 C ATOM 1057 CD1 TYR C 71 6.026 4.206 12.470 1.00 0.00 C ATOM 1058 CD2 TYR C 71 6.630 4.482 14.758 1.00 0.00 C ATOM 1059 CE1 TYR C 71 5.170 5.285 12.560 1.00 0.00 C ATOM 1060 CE2 TYR C 71 5.775 5.563 14.856 1.00 0.00 C ATOM 1061 CZ TYR C 71 5.048 5.960 13.755 1.00 0.00 C ATOM 1062 OH TYR C 71 4.195 7.037 13.849 1.00 0.00 O ATOM 0 H TYR C 71 8.500 3.571 11.166 1.00 0.00 H new ATOM 0 HA TYR C 71 9.598 3.514 13.909 1.00 0.00 H new ATOM 0 HB2 TYR C 71 7.317 1.909 12.715 1.00 0.00 H new ATOM 0 HB3 TYR C 71 7.729 2.079 14.410 1.00 0.00 H new ATOM 0 HD1 TYR C 71 6.120 3.679 11.532 1.00 0.00 H new ATOM 0 HD2 TYR C 71 7.199 4.174 15.623 1.00 0.00 H new ATOM 0 HE1 TYR C 71 4.599 5.598 11.699 1.00 0.00 H new ATOM 0 HE2 TYR C 71 5.677 6.094 15.791 1.00 0.00 H new ATOM 0 HH TYR C 71 4.225 7.400 14.759 1.00 0.00 H new ATOM 1072 N GLY C 72 10.499 1.717 11.537 1.00 0.00 N ATOM 1073 CA GLY C 72 11.296 0.585 11.110 1.00 0.00 C ATOM 1074 C GLY C 72 10.448 -0.545 10.562 1.00 0.00 C ATOM 1075 O GLY C 72 10.891 -1.691 10.505 1.00 0.00 O ATOM 0 H GLY C 72 10.409 2.461 10.845 1.00 0.00 H new ATOM 0 HA2 GLY C 72 12.002 0.909 10.346 1.00 0.00 H new ATOM 0 HA3 GLY C 72 11.883 0.219 11.952 1.00 0.00 H new ATOM 1079 N GLU C 73 9.225 -0.225 10.165 1.00 0.00 N ATOM 1080 CA GLU C 73 8.322 -1.220 9.605 1.00 0.00 C ATOM 1081 C GLU C 73 8.511 -1.313 8.103 1.00 0.00 C ATOM 1082 O GLU C 73 8.173 -0.386 7.373 1.00 0.00 O ATOM 1083 CB GLU C 73 6.871 -0.858 9.908 1.00 0.00 C ATOM 1084 CG GLU C 73 6.588 -0.679 11.386 1.00 0.00 C ATOM 1085 CD GLU C 73 5.238 -0.046 11.636 1.00 0.00 C ATOM 1086 OE1 GLU C 73 5.076 1.149 11.312 1.00 0.00 O ATOM 1087 OE2 GLU C 73 4.337 -0.734 12.160 1.00 0.00 O ATOM 0 H GLU C 73 8.835 0.716 10.220 1.00 0.00 H new ATOM 0 HA GLU C 73 8.553 -2.183 10.061 1.00 0.00 H new ATOM 0 HB2 GLU C 73 6.618 0.063 9.384 1.00 0.00 H new ATOM 0 HB3 GLU C 73 6.220 -1.638 9.514 1.00 0.00 H new ATOM 0 HG2 GLU C 73 6.630 -1.648 11.882 1.00 0.00 H new ATOM 0 HG3 GLU C 73 7.366 -0.059 11.831 1.00 0.00 H new ATOM 1094 N LEU C 74 9.062 -2.419 7.648 1.00 0.00 N ATOM 1095 CA LEU C 74 9.255 -2.631 6.226 1.00 0.00 C ATOM 1096 C LEU C 74 8.716 -3.992 5.818 1.00 0.00 C ATOM 1097 O LEU C 74 8.970 -5.001 6.480 1.00 0.00 O ATOM 1098 CB LEU C 74 10.733 -2.500 5.822 1.00 0.00 C ATOM 1099 CG LEU C 74 11.689 -3.538 6.413 1.00 0.00 C ATOM 1100 CD1 LEU C 74 12.954 -3.622 5.574 1.00 0.00 C ATOM 1101 CD2 LEU C 74 12.041 -3.187 7.851 1.00 0.00 C ATOM 0 H LEU C 74 9.384 -3.185 8.240 1.00 0.00 H new ATOM 0 HA LEU C 74 8.701 -1.853 5.700 1.00 0.00 H new ATOM 0 HB2 LEU C 74 10.797 -2.554 4.735 1.00 0.00 H new ATOM 0 HB3 LEU C 74 11.081 -1.509 6.113 1.00 0.00 H new ATOM 0 HG LEU C 74 11.191 -4.508 6.405 1.00 0.00 H new ATOM 0 HD11 LEU C 74 13.627 -4.364 6.004 1.00 0.00 H new ATOM 0 HD12 LEU C 74 12.696 -3.913 4.556 1.00 0.00 H new ATOM 0 HD13 LEU C 74 13.447 -2.650 5.560 1.00 0.00 H new ATOM 0 HD21 LEU C 74 12.722 -3.938 8.253 1.00 0.00 H new ATOM 0 HD22 LEU C 74 12.522 -2.209 7.880 1.00 0.00 H new ATOM 0 HD23 LEU C 74 11.132 -3.162 8.452 1.00 0.00 H new ATOM 1113 N LEU C 75 7.966 -4.003 4.731 1.00 0.00 N ATOM 1114 CA LEU C 75 7.345 -5.218 4.225 1.00 0.00 C ATOM 1115 C LEU C 75 7.629 -5.357 2.739 1.00 0.00 C ATOM 1116 O LEU C 75 8.101 -4.413 2.102 1.00 0.00 O ATOM 1117 CB LEU C 75 5.831 -5.189 4.461 1.00 0.00 C ATOM 1118 CG LEU C 75 5.388 -5.192 5.928 1.00 0.00 C ATOM 1119 CD1 LEU C 75 3.874 -5.103 6.025 1.00 0.00 C ATOM 1120 CD2 LEU C 75 5.888 -6.443 6.638 1.00 0.00 C ATOM 0 H LEU C 75 7.769 -3.172 4.173 1.00 0.00 H new ATOM 0 HA LEU C 75 7.764 -6.071 4.758 1.00 0.00 H new ATOM 0 HB2 LEU C 75 5.423 -4.300 3.979 1.00 0.00 H new ATOM 0 HB3 LEU C 75 5.388 -6.052 3.965 1.00 0.00 H new ATOM 0 HG LEU C 75 5.822 -4.320 6.418 1.00 0.00 H new ATOM 0 HD11 LEU C 75 3.576 -5.106 7.073 1.00 0.00 H new ATOM 0 HD12 LEU C 75 3.533 -4.181 5.554 1.00 0.00 H new ATOM 0 HD13 LEU C 75 3.426 -5.957 5.518 1.00 0.00 H new ATOM 0 HD21 LEU C 75 5.563 -6.426 7.678 1.00 0.00 H new ATOM 0 HD22 LEU C 75 5.483 -7.327 6.146 1.00 0.00 H new ATOM 0 HD23 LEU C 75 6.977 -6.473 6.599 1.00 0.00 H new ATOM 1132 N TYR C 76 7.343 -6.527 2.189 1.00 0.00 N ATOM 1133 CA TYR C 76 7.561 -6.768 0.774 1.00 0.00 C ATOM 1134 C TYR C 76 6.238 -7.095 0.094 1.00 0.00 C ATOM 1135 O TYR C 76 5.327 -7.635 0.726 1.00 0.00 O ATOM 1136 CB TYR C 76 8.566 -7.914 0.566 1.00 0.00 C ATOM 1137 CG TYR C 76 7.927 -9.277 0.376 1.00 0.00 C ATOM 1138 CD1 TYR C 76 7.772 -10.158 1.438 1.00 0.00 C ATOM 1139 CD2 TYR C 76 7.468 -9.673 -0.877 1.00 0.00 C ATOM 1140 CE1 TYR C 76 7.178 -11.392 1.255 1.00 0.00 C ATOM 1141 CE2 TYR C 76 6.874 -10.898 -1.066 1.00 0.00 C ATOM 1142 CZ TYR C 76 6.729 -11.756 0.000 1.00 0.00 C ATOM 1143 OH TYR C 76 6.141 -12.986 -0.189 1.00 0.00 O ATOM 0 H TYR C 76 6.960 -7.322 2.701 1.00 0.00 H new ATOM 0 HA TYR C 76 7.977 -5.865 0.327 1.00 0.00 H new ATOM 0 HB2 TYR C 76 9.181 -7.689 -0.306 1.00 0.00 H new ATOM 0 HB3 TYR C 76 9.235 -7.956 1.426 1.00 0.00 H new ATOM 0 HD1 TYR C 76 8.120 -9.875 2.420 1.00 0.00 H new ATOM 0 HD2 TYR C 76 7.581 -9.004 -1.718 1.00 0.00 H new ATOM 0 HE1 TYR C 76 7.065 -12.069 2.089 1.00 0.00 H new ATOM 0 HE2 TYR C 76 6.523 -11.186 -2.046 1.00 0.00 H new ATOM 0 HH TYR C 76 5.881 -13.083 -1.129 1.00 0.00 H new ATOM 1153 N MET C 77 6.137 -6.755 -1.186 1.00 0.00 N ATOM 1154 CA MET C 77 4.979 -7.095 -1.997 1.00 0.00 C ATOM 1155 C MET C 77 5.191 -6.569 -3.406 1.00 0.00 C ATOM 1156 O MET C 77 6.267 -6.069 -3.738 1.00 0.00 O ATOM 1157 CB MET C 77 3.739 -6.448 -1.389 1.00 0.00 C ATOM 1158 CG MET C 77 2.427 -7.141 -1.711 1.00 0.00 C ATOM 1159 SD MET C 77 1.044 -6.342 -0.882 1.00 0.00 S ATOM 1160 CE MET C 77 1.724 -6.184 0.771 1.00 0.00 C ATOM 0 H MET C 77 6.857 -6.236 -1.689 1.00 0.00 H new ATOM 0 HA MET C 77 4.847 -8.176 -2.028 1.00 0.00 H new ATOM 0 HB2 MET C 77 3.859 -6.416 -0.306 1.00 0.00 H new ATOM 0 HB3 MET C 77 3.681 -5.416 -1.734 1.00 0.00 H new ATOM 0 HG2 MET C 77 2.263 -7.131 -2.789 1.00 0.00 H new ATOM 0 HG3 MET C 77 2.481 -8.186 -1.407 1.00 0.00 H new ATOM 0 HE1 MET C 77 0.911 -6.100 1.492 1.00 0.00 H new ATOM 0 HE2 MET C 77 2.325 -7.063 1.003 1.00 0.00 H new ATOM 0 HE3 MET C 77 2.349 -5.293 0.824 1.00 0.00 H new ATOM 1170 N SER C 78 4.184 -6.725 -4.240 1.00 0.00 N ATOM 1171 CA SER C 78 4.082 -5.933 -5.442 1.00 0.00 C ATOM 1172 C SER C 78 3.546 -4.561 -5.045 1.00 0.00 C ATOM 1173 O SER C 78 2.362 -4.414 -4.734 1.00 0.00 O ATOM 1174 CB SER C 78 3.167 -6.627 -6.456 1.00 0.00 C ATOM 1175 OG SER C 78 2.153 -7.373 -5.798 1.00 0.00 O ATOM 0 H SER C 78 3.426 -7.394 -4.105 1.00 0.00 H new ATOM 0 HA SER C 78 5.055 -5.819 -5.920 1.00 0.00 H new ATOM 0 HB2 SER C 78 2.711 -5.883 -7.109 1.00 0.00 H new ATOM 0 HB3 SER C 78 3.757 -7.289 -7.090 1.00 0.00 H new ATOM 0 HG SER C 78 1.713 -6.808 -5.129 1.00 0.00 H new ATOM 1181 N LYS C 79 4.434 -3.571 -5.011 1.00 0.00 N ATOM 1182 CA LYS C 79 4.107 -2.258 -4.457 1.00 0.00 C ATOM 1183 C LYS C 79 2.917 -1.628 -5.171 1.00 0.00 C ATOM 1184 O LYS C 79 2.185 -0.836 -4.579 1.00 0.00 O ATOM 1185 CB LYS C 79 5.315 -1.319 -4.529 1.00 0.00 C ATOM 1186 CG LYS C 79 5.610 -0.798 -5.924 1.00 0.00 C ATOM 1187 CD LYS C 79 6.801 0.142 -5.930 1.00 0.00 C ATOM 1188 CE LYS C 79 6.883 0.917 -7.233 1.00 0.00 C ATOM 1189 NZ LYS C 79 5.747 1.865 -7.384 1.00 0.00 N ATOM 0 H LYS C 79 5.388 -3.653 -5.361 1.00 0.00 H new ATOM 0 HA LYS C 79 3.836 -2.408 -3.412 1.00 0.00 H new ATOM 0 HB2 LYS C 79 5.144 -0.472 -3.865 1.00 0.00 H new ATOM 0 HB3 LYS C 79 6.194 -1.845 -4.155 1.00 0.00 H new ATOM 0 HG2 LYS C 79 5.805 -1.637 -6.592 1.00 0.00 H new ATOM 0 HG3 LYS C 79 4.734 -0.278 -6.312 1.00 0.00 H new ATOM 0 HD2 LYS C 79 6.723 0.838 -5.095 1.00 0.00 H new ATOM 0 HD3 LYS C 79 7.718 -0.428 -5.785 1.00 0.00 H new ATOM 0 HE2 LYS C 79 7.823 1.467 -7.270 1.00 0.00 H new ATOM 0 HE3 LYS C 79 6.889 0.220 -8.071 1.00 0.00 H new ATOM 0 HZ1 LYS C 79 5.916 2.481 -8.205 1.00 0.00 H new ATOM 0 HZ2 LYS C 79 4.866 1.331 -7.527 1.00 0.00 H new ATOM 0 HZ3 LYS C 79 5.664 2.447 -6.526 1.00 0.00 H new ATOM 1203 N THR C 80 2.718 -2.004 -6.430 1.00 0.00 N ATOM 1204 CA THR C 80 1.615 -1.496 -7.223 1.00 0.00 C ATOM 1205 C THR C 80 0.273 -1.813 -6.566 1.00 0.00 C ATOM 1206 O THR C 80 -0.672 -1.023 -6.639 1.00 0.00 O ATOM 1207 CB THR C 80 1.661 -2.090 -8.640 1.00 0.00 C ATOM 1208 OG1 THR C 80 1.858 -3.510 -8.567 1.00 0.00 O ATOM 1209 CG2 THR C 80 2.780 -1.457 -9.453 1.00 0.00 C ATOM 0 H THR C 80 3.316 -2.667 -6.923 1.00 0.00 H new ATOM 0 HA THR C 80 1.716 -0.413 -7.286 1.00 0.00 H new ATOM 0 HB THR C 80 0.712 -1.880 -9.133 1.00 0.00 H new ATOM 0 HG1 THR C 80 1.885 -3.884 -9.473 1.00 0.00 H new ATOM 0 HG21 THR C 80 2.795 -1.892 -10.452 1.00 0.00 H new ATOM 0 HG22 THR C 80 2.613 -0.382 -9.527 1.00 0.00 H new ATOM 0 HG23 THR C 80 3.736 -1.642 -8.963 1.00 0.00 H new ATOM 1217 N ALA C 81 0.209 -2.963 -5.903 1.00 0.00 N ATOM 1218 CA ALA C 81 -0.987 -3.371 -5.184 1.00 0.00 C ATOM 1219 C ALA C 81 -1.216 -2.461 -3.986 1.00 0.00 C ATOM 1220 O ALA C 81 -2.308 -1.932 -3.780 1.00 0.00 O ATOM 1221 CB ALA C 81 -0.847 -4.813 -4.722 1.00 0.00 C ATOM 0 H ALA C 81 0.978 -3.631 -5.850 1.00 0.00 H new ATOM 0 HA ALA C 81 -1.844 -3.293 -5.853 1.00 0.00 H new ATOM 0 HB1 ALA C 81 -1.747 -5.112 -4.184 1.00 0.00 H new ATOM 0 HB2 ALA C 81 -0.710 -5.461 -5.588 1.00 0.00 H new ATOM 0 HB3 ALA C 81 0.016 -4.902 -4.062 1.00 0.00 H new ATOM 1227 N PHE C 82 -0.158 -2.273 -3.215 1.00 0.00 N ATOM 1228 CA PHE C 82 -0.212 -1.479 -1.999 1.00 0.00 C ATOM 1229 C PHE C 82 -0.531 -0.021 -2.317 1.00 0.00 C ATOM 1230 O PHE C 82 -1.494 0.540 -1.801 1.00 0.00 O ATOM 1231 CB PHE C 82 1.128 -1.586 -1.273 1.00 0.00 C ATOM 1232 CG PHE C 82 1.146 -0.986 0.108 1.00 0.00 C ATOM 1233 CD1 PHE C 82 0.849 -1.764 1.217 1.00 0.00 C ATOM 1234 CD2 PHE C 82 1.475 0.346 0.299 1.00 0.00 C ATOM 1235 CE1 PHE C 82 0.878 -1.223 2.489 1.00 0.00 C ATOM 1236 CE2 PHE C 82 1.503 0.892 1.567 1.00 0.00 C ATOM 1237 CZ PHE C 82 1.205 0.107 2.663 1.00 0.00 C ATOM 0 H PHE C 82 0.762 -2.666 -3.414 1.00 0.00 H new ATOM 0 HA PHE C 82 -1.006 -1.861 -1.357 1.00 0.00 H new ATOM 0 HB2 PHE C 82 1.403 -2.638 -1.201 1.00 0.00 H new ATOM 0 HB3 PHE C 82 1.893 -1.097 -1.877 1.00 0.00 H new ATOM 0 HD1 PHE C 82 0.592 -2.805 1.085 1.00 0.00 H new ATOM 0 HD2 PHE C 82 1.712 0.965 -0.554 1.00 0.00 H new ATOM 0 HE1 PHE C 82 0.645 -1.839 3.345 1.00 0.00 H new ATOM 0 HE2 PHE C 82 1.758 1.933 1.701 1.00 0.00 H new ATOM 0 HZ PHE C 82 1.228 0.533 3.655 1.00 0.00 H new ATOM 1247 N GLU C 83 0.249 0.574 -3.207 1.00 0.00 N ATOM 1248 CA GLU C 83 0.122 2.000 -3.499 1.00 0.00 C ATOM 1249 C GLU C 83 -1.270 2.348 -4.026 1.00 0.00 C ATOM 1250 O GLU C 83 -1.738 3.467 -3.860 1.00 0.00 O ATOM 1251 CB GLU C 83 1.188 2.441 -4.506 1.00 0.00 C ATOM 1252 CG GLU C 83 1.074 1.773 -5.865 1.00 0.00 C ATOM 1253 CD GLU C 83 2.133 2.244 -6.841 1.00 0.00 C ATOM 1254 OE1 GLU C 83 3.138 1.527 -7.034 1.00 0.00 O ATOM 1255 OE2 GLU C 83 1.962 3.336 -7.424 1.00 0.00 O ATOM 0 H GLU C 83 0.976 0.096 -3.740 1.00 0.00 H new ATOM 0 HA GLU C 83 0.271 2.537 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU C 83 1.123 3.521 -4.638 1.00 0.00 H new ATOM 0 HB3 GLU C 83 2.173 2.230 -4.091 1.00 0.00 H new ATOM 0 HG2 GLU C 83 1.154 0.693 -5.742 1.00 0.00 H new ATOM 0 HG3 GLU C 83 0.087 1.974 -6.282 1.00 0.00 H new ATOM 1262 N ALA C 84 -1.954 1.363 -4.590 1.00 0.00 N ATOM 1263 CA ALA C 84 -3.203 1.608 -5.295 1.00 0.00 C ATOM 1264 C ALA C 84 -4.390 1.410 -4.374 1.00 0.00 C ATOM 1265 O ALA C 84 -5.516 1.788 -4.699 1.00 0.00 O ATOM 1266 CB ALA C 84 -3.320 0.699 -6.507 1.00 0.00 C ATOM 0 H ALA C 84 -1.664 0.385 -4.573 1.00 0.00 H new ATOM 0 HA ALA C 84 -3.201 2.644 -5.635 1.00 0.00 H new ATOM 0 HB1 ALA C 84 -4.261 0.897 -7.021 1.00 0.00 H new ATOM 0 HB2 ALA C 84 -2.489 0.889 -7.186 1.00 0.00 H new ATOM 0 HB3 ALA C 84 -3.295 -0.342 -6.185 1.00 0.00 H new ATOM 1272 N ASN C 85 -4.139 0.811 -3.222 1.00 0.00 N ATOM 1273 CA ASN C 85 -5.192 0.591 -2.252 1.00 0.00 C ATOM 1274 C ASN C 85 -5.177 1.659 -1.173 1.00 0.00 C ATOM 1275 O ASN C 85 -6.227 2.031 -0.652 1.00 0.00 O ATOM 1276 CB ASN C 85 -5.083 -0.798 -1.617 1.00 0.00 C ATOM 1277 CG ASN C 85 -5.703 -1.887 -2.475 1.00 0.00 C ATOM 1278 OD1 ASN C 85 -6.896 -2.167 -2.372 1.00 0.00 O ATOM 1279 ND2 ASN C 85 -4.903 -2.512 -3.323 1.00 0.00 N ATOM 0 H ASN C 85 -3.220 0.471 -2.939 1.00 0.00 H new ATOM 0 HA ASN C 85 -6.140 0.652 -2.787 1.00 0.00 H new ATOM 0 HB2 ASN C 85 -4.033 -1.032 -1.444 1.00 0.00 H new ATOM 0 HB3 ASN C 85 -5.572 -0.787 -0.643 1.00 0.00 H new ATOM 0 HD21 ASN C 85 -5.271 -3.253 -3.919 1.00 0.00 H new ATOM 0 HD22 ASN C 85 -3.918 -2.252 -3.381 1.00 0.00 H new ATOM 1286 N TYR C 86 -3.997 2.172 -0.839 1.00 0.00 N ATOM 1287 CA TYR C 86 -3.902 3.099 0.283 1.00 0.00 C ATOM 1288 C TYR C 86 -3.897 4.544 -0.187 1.00 0.00 C ATOM 1289 O TYR C 86 -4.756 5.330 0.212 1.00 0.00 O ATOM 1290 CB TYR C 86 -2.675 2.783 1.132 1.00 0.00 C ATOM 1291 CG TYR C 86 -2.686 1.362 1.652 1.00 0.00 C ATOM 1292 CD1 TYR C 86 -2.484 0.310 0.784 1.00 0.00 C ATOM 1293 CD2 TYR C 86 -2.912 1.070 2.990 1.00 0.00 C ATOM 1294 CE1 TYR C 86 -2.503 -0.988 1.207 1.00 0.00 C ATOM 1295 CE2 TYR C 86 -2.929 -0.242 3.436 1.00 0.00 C ATOM 1296 CZ TYR C 86 -2.724 -1.270 2.536 1.00 0.00 C ATOM 1297 OH TYR C 86 -2.739 -2.580 2.964 1.00 0.00 O ATOM 0 H TYR C 86 -3.117 1.970 -1.313 1.00 0.00 H new ATOM 0 HA TYR C 86 -4.788 2.970 0.905 1.00 0.00 H new ATOM 0 HB2 TYR C 86 -1.775 2.943 0.539 1.00 0.00 H new ATOM 0 HB3 TYR C 86 -2.630 3.475 1.973 1.00 0.00 H new ATOM 0 HD1 TYR C 86 -2.306 0.519 -0.261 1.00 0.00 H new ATOM 0 HD2 TYR C 86 -3.076 1.874 3.692 1.00 0.00 H new ATOM 0 HE1 TYR C 86 -2.345 -1.790 0.502 1.00 0.00 H new ATOM 0 HE2 TYR C 86 -3.101 -0.459 4.480 1.00 0.00 H new ATOM 0 HH TYR C 86 -2.906 -2.607 3.929 1.00 0.00 H new ATOM 1307 N THR C 87 -2.941 4.906 -1.023 1.00 0.00 N ATOM 1308 CA THR C 87 -2.940 6.240 -1.601 1.00 0.00 C ATOM 1309 C THR C 87 -3.789 6.293 -2.870 1.00 0.00 C ATOM 1310 O THR C 87 -4.821 6.971 -2.897 1.00 0.00 O ATOM 1311 CB THR C 87 -1.502 6.699 -1.896 1.00 0.00 C ATOM 1312 OG1 THR C 87 -0.882 5.852 -2.871 1.00 0.00 O ATOM 1313 CG2 THR C 87 -0.699 6.635 -0.628 1.00 0.00 C ATOM 0 H THR C 87 -2.167 4.308 -1.314 1.00 0.00 H new ATOM 0 HA THR C 87 -3.381 6.921 -0.873 1.00 0.00 H new ATOM 0 HB THR C 87 -1.537 7.717 -2.284 1.00 0.00 H new ATOM 0 HG1 THR C 87 -1.438 5.058 -3.015 1.00 0.00 H new ATOM 0 HG21 THR C 87 0.323 6.959 -0.827 1.00 0.00 H new ATOM 0 HG22 THR C 87 -1.147 7.289 0.120 1.00 0.00 H new ATOM 0 HG23 THR C 87 -0.689 5.611 -0.255 1.00 0.00 H new