USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 SER OG : rot 21:sc= -0.0417 USER MOD Set 1.2: A 126 HIS : no HD1:sc= 0.642 K(o=0.6,f=-2.1!) USER MOD Set 2.1: A 44 THR OG1 : rot -150:sc= 0.633 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 156:sc= 1.88 (180deg=1.08) USER MOD Set 3.1: A 9 SER OG : rot 150:sc= 1.01 USER MOD Set 3.2: A 52 LYS NZ :NH3+ -141:sc= 1.21 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 2.46 (180deg=2.35) USER MOD Single : A 18 SER OG : rot 180:sc=-0.00817 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.19) USER MOD Single : A 40 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.76) USER MOD Single : A 50 THR OG1 : rot -145:sc= -0.406 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.575 K(o=0.58,f=-0.38) USER MOD Single : A 76 GLN : amide:sc= 0.14 X(o=0.14,f=-0.16) USER MOD Single : A 77 TYR OH : rot 30:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -100:sc= 0.642 USER MOD Single : A 91 TYR OH : rot 30:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0.597 K(o=0.6,f=0) USER MOD Single : A 103 SER OG : rot -33:sc= 0.607 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.49) USER MOD Single : A 122 SER OG : rot -160:sc=-0.00792 USER MOD Single : A 124 GLN : amide:sc= 0.723 K(o=0.72,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 186 N SER A 9 -11.458 9.396 7.135 1.00 0.00 N ATOM 187 CA SER A 9 -12.540 8.411 7.033 1.00 0.00 C ATOM 188 C SER A 9 -11.946 7.029 6.751 1.00 0.00 C ATOM 189 O SER A 9 -11.440 6.796 5.655 1.00 0.00 O ATOM 190 CB SER A 9 -13.512 8.777 5.906 1.00 0.00 C ATOM 191 OG SER A 9 -14.291 9.916 6.232 1.00 0.00 O ATOM 0 HA SER A 9 -13.086 8.403 7.977 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.952 8.970 4.991 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.170 7.932 5.705 1.00 0.00 H new ATOM 0 HG SER A 9 -14.519 10.402 5.412 1.00 0.00 H new ATOM 197 N VAL A 10 -11.982 6.111 7.719 1.00 0.00 N ATOM 198 CA VAL A 10 -11.498 4.715 7.559 1.00 0.00 C ATOM 199 C VAL A 10 -12.320 3.943 6.514 1.00 0.00 C ATOM 200 O VAL A 10 -13.539 4.106 6.433 1.00 0.00 O ATOM 201 CB VAL A 10 -11.490 3.970 8.912 1.00 0.00 C ATOM 202 CG1 VAL A 10 -10.909 2.554 8.799 1.00 0.00 C ATOM 203 CG2 VAL A 10 -10.645 4.705 9.962 1.00 0.00 C ATOM 0 H VAL A 10 -12.350 6.306 8.650 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.472 4.769 7.194 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.537 3.926 9.213 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.926 2.074 9.778 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.506 1.971 8.098 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.881 2.610 8.441 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.665 4.149 10.899 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.617 4.786 9.610 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.053 5.703 10.123 1.00 0.00 H new ATOM 213 N LEU A 11 -11.649 3.089 5.729 1.00 0.00 N ATOM 214 CA LEU A 11 -12.232 2.313 4.623 1.00 0.00 C ATOM 215 C LEU A 11 -11.911 0.811 4.721 1.00 0.00 C ATOM 216 O LEU A 11 -12.801 -0.019 4.527 1.00 0.00 O ATOM 217 CB LEU A 11 -11.724 2.859 3.275 1.00 0.00 C ATOM 218 CG LEU A 11 -12.074 4.313 2.917 1.00 0.00 C ATOM 219 CD1 LEU A 11 -11.470 4.627 1.548 1.00 0.00 C ATOM 220 CD2 LEU A 11 -13.584 4.549 2.829 1.00 0.00 C ATOM 0 H LEU A 11 -10.652 2.913 5.850 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.314 2.422 4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.638 2.762 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.112 2.216 2.485 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.676 4.954 3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.706 5.655 1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.388 4.502 1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.885 3.948 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.775 5.591 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -14.009 3.903 2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.045 4.321 3.790 1.00 0.00 H new ATOM 232 N CYS A 12 -10.661 0.454 5.043 1.00 0.00 N ATOM 233 CA CYS A 12 -10.226 -0.929 5.266 1.00 0.00 C ATOM 234 C CYS A 12 -9.105 -0.991 6.302 1.00 0.00 C ATOM 235 O CYS A 12 -8.140 -0.228 6.233 1.00 0.00 O ATOM 236 CB CYS A 12 -9.748 -1.548 3.946 1.00 0.00 C ATOM 237 SG CYS A 12 -9.460 -3.333 4.132 1.00 0.00 S ATOM 0 H CYS A 12 -9.909 1.133 5.158 1.00 0.00 H new ATOM 0 HA CYS A 12 -11.076 -1.495 5.646 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.492 -1.375 3.168 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.829 -1.059 3.622 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.059 -3.828 2.999 1.00 0.00 H new ATOM 243 N VAL A 13 -9.214 -1.937 7.231 1.00 0.00 N ATOM 244 CA VAL A 13 -8.178 -2.263 8.218 1.00 0.00 C ATOM 245 C VAL A 13 -7.903 -3.767 8.193 1.00 0.00 C ATOM 246 O VAL A 13 -8.828 -4.575 8.310 1.00 0.00 O ATOM 247 CB VAL A 13 -8.579 -1.765 9.622 1.00 0.00 C ATOM 248 CG1 VAL A 13 -7.577 -2.176 10.710 1.00 0.00 C ATOM 249 CG2 VAL A 13 -8.683 -0.234 9.649 1.00 0.00 C ATOM 0 H VAL A 13 -10.048 -2.517 7.324 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.254 -1.747 7.958 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.543 -2.229 9.832 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.913 -1.797 11.675 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.509 -3.263 10.750 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.597 -1.760 10.478 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.967 0.094 10.649 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.719 0.201 9.385 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.437 0.092 8.933 1.00 0.00 H new ATOM 259 N LYS A 14 -6.624 -4.140 8.059 1.00 0.00 N ATOM 260 CA LYS A 14 -6.117 -5.522 8.165 1.00 0.00 C ATOM 261 C LYS A 14 -5.002 -5.588 9.225 1.00 0.00 C ATOM 262 O LYS A 14 -4.136 -4.710 9.226 1.00 0.00 O ATOM 263 CB LYS A 14 -5.626 -6.056 6.802 1.00 0.00 C ATOM 264 CG LYS A 14 -6.690 -6.086 5.689 1.00 0.00 C ATOM 265 CD LYS A 14 -7.766 -7.151 5.935 1.00 0.00 C ATOM 266 CE LYS A 14 -8.761 -7.190 4.774 1.00 0.00 C ATOM 267 NZ LYS A 14 -9.678 -8.348 4.906 1.00 0.00 N ATOM 0 H LYS A 14 -5.883 -3.466 7.867 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.939 -6.166 8.478 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.791 -5.440 6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.241 -7.066 6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.163 -5.107 5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.205 -6.278 4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.298 -8.128 6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.292 -6.936 6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.337 -6.265 4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.222 -7.253 3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.408 -8.299 4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.139 -9.231 4.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.132 -8.327 5.842 1.00 0.00 H new ATOM 281 N PRO A 15 -4.994 -6.593 10.122 1.00 0.00 N ATOM 282 CA PRO A 15 -4.127 -6.598 11.307 1.00 0.00 C ATOM 283 C PRO A 15 -2.645 -6.867 11.029 1.00 0.00 C ATOM 284 O PRO A 15 -1.797 -6.406 11.793 1.00 0.00 O ATOM 285 CB PRO A 15 -4.679 -7.704 12.206 1.00 0.00 C ATOM 286 CG PRO A 15 -5.381 -8.651 11.235 1.00 0.00 C ATOM 287 CD PRO A 15 -5.929 -7.707 10.173 1.00 0.00 C ATOM 0 HA PRO A 15 -4.145 -5.603 11.752 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.883 -8.210 12.752 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.372 -7.307 12.948 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.690 -9.379 10.810 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.176 -9.214 11.724 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.000 -8.204 9.205 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.932 -7.366 10.431 1.00 0.00 H new ATOM 295 N ASP A 16 -2.328 -7.629 9.978 1.00 0.00 N ATOM 296 CA ASP A 16 -0.957 -8.034 9.660 1.00 0.00 C ATOM 297 C ASP A 16 -0.669 -7.944 8.155 1.00 0.00 C ATOM 298 O ASP A 16 -1.245 -8.659 7.330 1.00 0.00 O ATOM 299 CB ASP A 16 -0.674 -9.435 10.209 1.00 0.00 C ATOM 300 CG ASP A 16 0.835 -9.734 10.210 1.00 0.00 C ATOM 301 OD1 ASP A 16 1.586 -9.046 10.946 1.00 0.00 O ATOM 302 OD2 ASP A 16 1.269 -10.666 9.494 1.00 0.00 O ATOM 0 H ASP A 16 -3.021 -7.984 9.320 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.278 -7.335 10.148 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.065 -9.518 11.223 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.195 -10.178 9.605 1.00 0.00 H new ATOM 307 N VAL A 17 0.244 -7.040 7.825 1.00 0.00 N ATOM 308 CA VAL A 17 0.795 -6.764 6.495 1.00 0.00 C ATOM 309 C VAL A 17 2.283 -6.416 6.633 1.00 0.00 C ATOM 310 O VAL A 17 2.714 -5.876 7.660 1.00 0.00 O ATOM 311 CB VAL A 17 -0.032 -5.666 5.793 1.00 0.00 C ATOM 312 CG1 VAL A 17 0.215 -4.249 6.328 1.00 0.00 C ATOM 313 CG2 VAL A 17 0.194 -5.648 4.278 1.00 0.00 C ATOM 0 H VAL A 17 0.654 -6.430 8.533 1.00 0.00 H new ATOM 0 HA VAL A 17 0.727 -7.645 5.857 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.063 -5.939 6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.405 -3.540 5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.039 -4.211 7.387 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.265 -3.989 6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.409 -4.859 3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.248 -5.462 4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.095 -6.610 3.856 1.00 0.00 H new ATOM 323 N SER A 18 3.078 -6.746 5.617 1.00 0.00 N ATOM 324 CA SER A 18 4.548 -6.725 5.702 1.00 0.00 C ATOM 325 C SER A 18 5.174 -5.829 4.636 1.00 0.00 C ATOM 326 O SER A 18 4.820 -5.947 3.466 1.00 0.00 O ATOM 327 CB SER A 18 5.098 -8.147 5.570 1.00 0.00 C ATOM 328 OG SER A 18 4.552 -9.002 6.563 1.00 0.00 O ATOM 0 H SER A 18 2.725 -7.037 4.705 1.00 0.00 H new ATOM 0 HA SER A 18 4.813 -6.313 6.676 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.865 -8.540 4.580 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.184 -8.129 5.659 1.00 0.00 H new ATOM 0 HG SER A 18 4.918 -9.904 6.455 1.00 0.00 H new ATOM 334 N VAL A 19 6.109 -4.958 5.031 1.00 0.00 N ATOM 335 CA VAL A 19 6.837 -4.019 4.159 1.00 0.00 C ATOM 336 C VAL A 19 8.180 -4.570 3.733 1.00 0.00 C ATOM 337 O VAL A 19 8.954 -5.088 4.540 1.00 0.00 O ATOM 338 CB VAL A 19 7.008 -2.630 4.803 1.00 0.00 C ATOM 339 CG1 VAL A 19 7.925 -1.683 4.006 1.00 0.00 C ATOM 340 CG2 VAL A 19 5.658 -1.924 4.933 1.00 0.00 C ATOM 0 H VAL A 19 6.394 -4.882 6.007 1.00 0.00 H new ATOM 0 HA VAL A 19 6.220 -3.897 3.269 1.00 0.00 H new ATOM 0 HB VAL A 19 7.463 -2.830 5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.996 -0.726 4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.918 -2.124 3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.511 -1.528 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.802 -0.945 5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.215 -1.801 3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.993 -2.522 5.557 1.00 0.00 H new ATOM 350 N TYR A 20 8.477 -4.351 2.457 1.00 0.00 N ATOM 351 CA TYR A 20 9.765 -4.608 1.848 1.00 0.00 C ATOM 352 C TYR A 20 10.233 -3.386 1.063 1.00 0.00 C ATOM 353 O TYR A 20 9.494 -2.799 0.267 1.00 0.00 O ATOM 354 CB TYR A 20 9.691 -5.830 0.924 1.00 0.00 C ATOM 355 CG TYR A 20 8.745 -6.929 1.359 1.00 0.00 C ATOM 356 CD1 TYR A 20 7.472 -7.028 0.768 1.00 0.00 C ATOM 357 CD2 TYR A 20 9.122 -7.825 2.374 1.00 0.00 C ATOM 358 CE1 TYR A 20 6.573 -8.027 1.186 1.00 0.00 C ATOM 359 CE2 TYR A 20 8.228 -8.824 2.797 1.00 0.00 C ATOM 360 CZ TYR A 20 6.950 -8.927 2.208 1.00 0.00 C ATOM 361 OH TYR A 20 6.098 -9.901 2.630 1.00 0.00 O ATOM 0 H TYR A 20 7.796 -3.975 1.797 1.00 0.00 H new ATOM 0 HA TYR A 20 10.484 -4.815 2.641 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.394 -5.493 -0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.691 -6.253 0.832 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.184 -6.335 -0.009 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.098 -7.746 2.829 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.598 -8.105 0.727 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.520 -9.514 3.575 1.00 0.00 H new ATOM 0 HH TYR A 20 6.526 -10.426 3.338 1.00 0.00 H new ATOM 371 N ARG A 21 11.511 -3.063 1.213 1.00 0.00 N ATOM 372 CA ARG A 21 12.284 -2.386 0.163 1.00 0.00 C ATOM 373 C ARG A 21 12.247 -3.203 -1.136 1.00 0.00 C ATOM 374 O ARG A 21 12.398 -4.427 -1.117 1.00 0.00 O ATOM 375 CB ARG A 21 13.741 -2.164 0.617 1.00 0.00 C ATOM 376 CG ARG A 21 13.957 -0.917 1.494 1.00 0.00 C ATOM 377 CD ARG A 21 13.488 0.414 0.881 1.00 0.00 C ATOM 378 NE ARG A 21 13.719 0.498 -0.582 1.00 0.00 N ATOM 379 CZ ARG A 21 12.899 1.047 -1.459 1.00 0.00 C ATOM 380 NH1 ARG A 21 13.010 0.808 -2.733 1.00 0.00 N ATOM 381 NH2 ARG A 21 11.916 1.809 -1.083 1.00 0.00 N ATOM 0 H ARG A 21 12.045 -3.259 2.060 1.00 0.00 H new ATOM 0 HA ARG A 21 11.832 -1.412 -0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.073 -3.043 1.170 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.375 -2.085 -0.266 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.436 -1.065 2.440 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.019 -0.836 1.725 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.425 0.544 1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.009 1.236 1.372 1.00 0.00 H new ATOM 0 HE ARG A 21 14.586 0.097 -0.941 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.742 0.185 -3.073 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.365 1.244 -3.392 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.765 1.994 -0.091 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.296 2.222 -1.779 1.00 0.00 H new ATOM 395 N ILE A 22 12.070 -2.504 -2.257 1.00 0.00 N ATOM 396 CA ILE A 22 12.042 -3.072 -3.616 1.00 0.00 C ATOM 397 C ILE A 22 13.305 -2.681 -4.412 1.00 0.00 C ATOM 398 O ILE A 22 13.870 -1.608 -4.158 1.00 0.00 O ATOM 399 CB ILE A 22 10.735 -2.690 -4.356 1.00 0.00 C ATOM 400 CG1 ILE A 22 10.613 -1.177 -4.643 1.00 0.00 C ATOM 401 CG2 ILE A 22 9.514 -3.204 -3.575 1.00 0.00 C ATOM 402 CD1 ILE A 22 9.331 -0.813 -5.400 1.00 0.00 C ATOM 0 H ILE A 22 11.937 -1.493 -2.250 1.00 0.00 H new ATOM 0 HA ILE A 22 12.049 -4.159 -3.529 1.00 0.00 H new ATOM 0 HB ILE A 22 10.771 -3.176 -5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.639 -0.631 -3.700 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.476 -0.852 -5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.602 -2.930 -4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.570 -4.289 -3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.504 -2.758 -2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.303 0.263 -5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.313 -1.334 -6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.464 -1.109 -4.810 1.00 0.00 H new ATOM 532 N TYR A 31 7.947 -5.464 -11.161 1.00 0.00 N ATOM 533 CA TYR A 31 7.872 -5.926 -9.779 1.00 0.00 C ATOM 534 C TYR A 31 7.239 -7.318 -9.747 1.00 0.00 C ATOM 535 O TYR A 31 6.131 -7.470 -10.235 1.00 0.00 O ATOM 536 CB TYR A 31 7.014 -4.941 -8.987 1.00 0.00 C ATOM 537 CG TYR A 31 7.491 -3.504 -8.959 1.00 0.00 C ATOM 538 CD1 TYR A 31 8.846 -3.174 -9.174 1.00 0.00 C ATOM 539 CD2 TYR A 31 6.557 -2.490 -8.678 1.00 0.00 C ATOM 540 CE1 TYR A 31 9.276 -1.847 -9.034 1.00 0.00 C ATOM 541 CE2 TYR A 31 6.981 -1.156 -8.568 1.00 0.00 C ATOM 542 CZ TYR A 31 8.343 -0.825 -8.738 1.00 0.00 C ATOM 543 OH TYR A 31 8.742 0.469 -8.598 1.00 0.00 O ATOM 0 HA TYR A 31 8.868 -5.981 -9.340 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.005 -4.958 -9.400 1.00 0.00 H new ATOM 0 HB3 TYR A 31 6.944 -5.298 -7.959 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.552 -3.944 -9.447 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.514 -2.738 -8.547 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.322 -1.604 -9.152 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.262 -0.380 -8.352 1.00 0.00 H new ATOM 0 HH TYR A 31 7.965 1.031 -8.397 1.00 0.00 H new ATOM 553 N ARG A 32 7.888 -8.332 -9.173 1.00 0.00 N ATOM 554 CA ARG A 32 7.435 -9.745 -9.243 1.00 0.00 C ATOM 555 C ARG A 32 7.230 -10.412 -7.889 1.00 0.00 C ATOM 556 O ARG A 32 7.153 -11.632 -7.814 1.00 0.00 O ATOM 557 CB ARG A 32 8.319 -10.586 -10.192 1.00 0.00 C ATOM 558 CG ARG A 32 9.819 -10.610 -9.853 1.00 0.00 C ATOM 559 CD ARG A 32 10.570 -9.436 -10.498 1.00 0.00 C ATOM 560 NE ARG A 32 10.766 -9.601 -11.948 1.00 0.00 N ATOM 561 CZ ARG A 32 11.646 -10.369 -12.558 1.00 0.00 C ATOM 562 NH1 ARG A 32 11.668 -10.386 -13.858 1.00 0.00 N ATOM 563 NH2 ARG A 32 12.505 -11.112 -11.918 1.00 0.00 N ATOM 0 H ARG A 32 8.749 -8.208 -8.641 1.00 0.00 H new ATOM 0 HA ARG A 32 6.436 -9.704 -9.677 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.948 -11.611 -10.192 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.200 -10.203 -11.206 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.947 -10.573 -8.771 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.253 -11.550 -10.194 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.017 -8.515 -10.315 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.542 -9.326 -10.016 1.00 0.00 H new ATOM 0 HE ARG A 32 10.148 -9.057 -12.551 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.012 -9.811 -14.387 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.342 -10.974 -14.349 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.516 -11.116 -10.898 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.166 -11.689 -12.437 1.00 0.00 H new ATOM 577 N ALA A 33 7.143 -9.608 -6.832 1.00 0.00 N ATOM 578 CA ALA A 33 7.125 -9.976 -5.414 1.00 0.00 C ATOM 579 C ALA A 33 8.350 -10.786 -4.918 1.00 0.00 C ATOM 580 O ALA A 33 8.952 -10.440 -3.905 1.00 0.00 O ATOM 581 CB ALA A 33 5.777 -10.644 -5.140 1.00 0.00 C ATOM 0 H ALA A 33 7.078 -8.597 -6.953 1.00 0.00 H new ATOM 0 HA ALA A 33 7.226 -9.071 -4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.722 -10.935 -4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.972 -9.945 -5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.675 -11.529 -5.768 1.00 0.00 H new ATOM 587 N SER A 34 8.776 -11.821 -5.641 1.00 0.00 N ATOM 588 CA SER A 34 9.869 -12.738 -5.295 1.00 0.00 C ATOM 589 C SER A 34 11.273 -12.115 -5.316 1.00 0.00 C ATOM 590 O SER A 34 12.188 -12.648 -4.687 1.00 0.00 O ATOM 591 CB SER A 34 9.806 -13.939 -6.241 1.00 0.00 C ATOM 592 OG SER A 34 10.026 -13.537 -7.586 1.00 0.00 O ATOM 0 H SER A 34 8.345 -12.058 -6.535 1.00 0.00 H new ATOM 0 HA SER A 34 9.715 -13.032 -4.257 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.555 -14.676 -5.950 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.833 -14.423 -6.156 1.00 0.00 H new ATOM 0 HG SER A 34 9.983 -14.321 -8.173 1.00 0.00 H new ATOM 598 N ASP A 35 11.446 -10.971 -5.984 1.00 0.00 N ATOM 599 CA ASP A 35 12.680 -10.172 -5.950 1.00 0.00 C ATOM 600 C ASP A 35 12.738 -9.182 -4.764 1.00 0.00 C ATOM 601 O ASP A 35 13.742 -8.487 -4.586 1.00 0.00 O ATOM 602 CB ASP A 35 12.887 -9.482 -7.309 1.00 0.00 C ATOM 603 CG ASP A 35 13.645 -10.402 -8.283 1.00 0.00 C ATOM 604 OD1 ASP A 35 13.010 -11.021 -9.169 1.00 0.00 O ATOM 605 OD2 ASP A 35 14.891 -10.497 -8.172 1.00 0.00 O ATOM 0 H ASP A 35 10.721 -10.565 -6.575 1.00 0.00 H new ATOM 0 HA ASP A 35 13.513 -10.853 -5.776 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.921 -9.212 -7.735 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.444 -8.555 -7.170 1.00 0.00 H new ATOM 610 N TRP A 36 11.689 -9.115 -3.936 1.00 0.00 N ATOM 611 CA TRP A 36 11.641 -8.323 -2.709 1.00 0.00 C ATOM 612 C TRP A 36 12.121 -9.150 -1.500 1.00 0.00 C ATOM 613 O TRP A 36 12.360 -10.358 -1.589 1.00 0.00 O ATOM 614 CB TRP A 36 10.212 -7.798 -2.502 1.00 0.00 C ATOM 615 CG TRP A 36 9.516 -7.096 -3.638 1.00 0.00 C ATOM 616 CD1 TRP A 36 10.052 -6.653 -4.803 1.00 0.00 C ATOM 617 CD2 TRP A 36 8.113 -6.702 -3.682 1.00 0.00 C ATOM 618 NE1 TRP A 36 9.086 -6.000 -5.550 1.00 0.00 N ATOM 619 CE2 TRP A 36 7.894 -5.933 -4.864 1.00 0.00 C ATOM 620 CE3 TRP A 36 7.010 -6.895 -2.823 1.00 0.00 C ATOM 621 CZ2 TRP A 36 6.674 -5.301 -5.125 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.765 -6.298 -3.097 1.00 0.00 C ATOM 623 CH2 TRP A 36 5.604 -5.493 -4.236 1.00 0.00 C ATOM 0 H TRP A 36 10.825 -9.628 -4.110 1.00 0.00 H new ATOM 0 HA TRP A 36 12.317 -7.473 -2.801 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.591 -8.644 -2.209 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.234 -7.111 -1.656 1.00 0.00 H new ATOM 0 HD1 TRP A 36 11.080 -6.790 -5.103 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.237 -5.619 -6.484 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.123 -7.510 -1.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.557 -4.675 -5.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.932 -6.460 -2.429 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.653 -5.019 -4.429 1.00 0.00 H new ATOM 634 N LYS A 37 12.239 -8.501 -0.339 1.00 0.00 N ATOM 635 CA LYS A 37 12.745 -9.075 0.927 1.00 0.00 C ATOM 636 C LYS A 37 11.742 -9.982 1.668 1.00 0.00 C ATOM 637 O LYS A 37 11.539 -9.845 2.872 1.00 0.00 O ATOM 638 CB LYS A 37 13.297 -7.950 1.807 1.00 0.00 C ATOM 639 CG LYS A 37 14.653 -7.465 1.287 1.00 0.00 C ATOM 640 CD LYS A 37 15.206 -6.379 2.204 1.00 0.00 C ATOM 641 CE LYS A 37 15.654 -6.880 3.583 1.00 0.00 C ATOM 642 NZ LYS A 37 16.156 -5.761 4.421 1.00 0.00 N ATOM 0 H LYS A 37 11.976 -7.520 -0.243 1.00 0.00 H new ATOM 0 HA LYS A 37 13.554 -9.759 0.672 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.592 -7.119 1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.402 -8.303 2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.352 -8.300 1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.546 -7.077 0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.053 -5.902 1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.443 -5.612 2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.819 -7.368 4.085 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.437 -7.629 3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.622 -6.144 5.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.839 -5.198 3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.359 -5.157 4.707 1.00 0.00 H new ATOM 656 N LEU A 38 11.109 -10.919 0.965 1.00 0.00 N ATOM 657 CA LEU A 38 9.967 -11.702 1.473 1.00 0.00 C ATOM 658 C LEU A 38 10.228 -12.475 2.780 1.00 0.00 C ATOM 659 O LEU A 38 9.323 -12.603 3.604 1.00 0.00 O ATOM 660 CB LEU A 38 9.478 -12.676 0.388 1.00 0.00 C ATOM 661 CG LEU A 38 8.990 -12.019 -0.914 1.00 0.00 C ATOM 662 CD1 LEU A 38 8.344 -13.097 -1.788 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.966 -10.913 -0.665 1.00 0.00 C ATOM 0 H LEU A 38 11.373 -11.165 0.011 1.00 0.00 H new ATOM 0 HA LEU A 38 9.203 -10.964 1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.290 -13.363 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.666 -13.275 0.800 1.00 0.00 H new ATOM 0 HG LEU A 38 9.853 -11.565 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.991 -12.649 -2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.078 -13.871 -2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.502 -13.540 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.655 -10.484 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.098 -11.329 -0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.413 -10.136 -0.045 1.00 0.00 H new ATOM 675 N ASP A 39 11.453 -12.965 2.995 1.00 0.00 N ATOM 676 CA ASP A 39 11.844 -13.694 4.216 1.00 0.00 C ATOM 677 C ASP A 39 12.425 -12.777 5.321 1.00 0.00 C ATOM 678 O ASP A 39 12.734 -13.235 6.423 1.00 0.00 O ATOM 679 CB ASP A 39 12.787 -14.845 3.823 1.00 0.00 C ATOM 680 CG ASP A 39 12.983 -15.879 4.948 1.00 0.00 C ATOM 681 OD1 ASP A 39 14.147 -16.215 5.276 1.00 0.00 O ATOM 682 OD2 ASP A 39 11.972 -16.417 5.463 1.00 0.00 O ATOM 0 H ASP A 39 12.213 -12.868 2.321 1.00 0.00 H new ATOM 0 HA ASP A 39 10.948 -14.113 4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.389 -15.348 2.942 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.757 -14.433 3.544 1.00 0.00 H new ATOM 687 N GLN A 40 12.555 -11.473 5.039 1.00 0.00 N ATOM 688 CA GLN A 40 13.085 -10.443 5.947 1.00 0.00 C ATOM 689 C GLN A 40 12.381 -9.077 5.749 1.00 0.00 C ATOM 690 O GLN A 40 13.003 -8.145 5.227 1.00 0.00 O ATOM 691 CB GLN A 40 14.631 -10.337 5.823 1.00 0.00 C ATOM 692 CG GLN A 40 15.232 -10.462 4.407 1.00 0.00 C ATOM 693 CD GLN A 40 15.460 -11.898 3.924 1.00 0.00 C ATOM 694 OE1 GLN A 40 15.726 -12.823 4.679 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.400 -12.138 2.630 1.00 0.00 N ATOM 0 H GLN A 40 12.282 -11.090 4.134 1.00 0.00 H new ATOM 0 HA GLN A 40 12.862 -10.753 6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.939 -9.377 6.238 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.075 -11.112 6.449 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.570 -9.959 3.702 1.00 0.00 H new ATOM 0 HG3 GLN A 40 16.184 -9.932 4.385 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.180 -11.383 1.981 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.574 -13.079 2.277 1.00 0.00 H new ATOM 704 N PRO A 41 11.105 -8.908 6.167 1.00 0.00 N ATOM 705 CA PRO A 41 10.427 -7.611 6.121 1.00 0.00 C ATOM 706 C PRO A 41 11.243 -6.509 6.808 1.00 0.00 C ATOM 707 O PRO A 41 11.790 -6.706 7.896 1.00 0.00 O ATOM 708 CB PRO A 41 9.073 -7.790 6.817 1.00 0.00 C ATOM 709 CG PRO A 41 8.819 -9.295 6.723 1.00 0.00 C ATOM 710 CD PRO A 41 10.222 -9.909 6.746 1.00 0.00 C ATOM 0 HA PRO A 41 10.303 -7.296 5.085 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.107 -7.453 7.853 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.288 -7.219 6.321 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.214 -9.651 7.557 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.285 -9.553 5.809 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.524 -10.154 7.764 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.252 -10.835 6.172 1.00 0.00 H new ATOM 718 N ASP A 42 11.287 -5.328 6.196 1.00 0.00 N ATOM 719 CA ASP A 42 11.890 -4.134 6.800 1.00 0.00 C ATOM 720 C ASP A 42 11.002 -3.570 7.924 1.00 0.00 C ATOM 721 O ASP A 42 11.500 -2.941 8.860 1.00 0.00 O ATOM 722 CB ASP A 42 12.156 -3.094 5.707 1.00 0.00 C ATOM 723 CG ASP A 42 13.161 -3.626 4.679 1.00 0.00 C ATOM 724 OD1 ASP A 42 12.738 -3.979 3.557 1.00 0.00 O ATOM 725 OD2 ASP A 42 14.372 -3.710 4.998 1.00 0.00 O ATOM 0 H ASP A 42 10.905 -5.168 5.264 1.00 0.00 H new ATOM 0 HA ASP A 42 12.840 -4.404 7.261 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.221 -2.837 5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.540 -2.178 6.156 1.00 0.00 H new ATOM 730 N TRP A 43 9.693 -3.846 7.853 1.00 0.00 N ATOM 731 CA TRP A 43 8.704 -3.590 8.910 1.00 0.00 C ATOM 732 C TRP A 43 7.491 -4.528 8.763 1.00 0.00 C ATOM 733 O TRP A 43 7.175 -4.956 7.653 1.00 0.00 O ATOM 734 CB TRP A 43 8.284 -2.113 8.832 1.00 0.00 C ATOM 735 CG TRP A 43 7.147 -1.679 9.703 1.00 0.00 C ATOM 736 CD1 TRP A 43 7.253 -1.098 10.920 1.00 0.00 C ATOM 737 CD2 TRP A 43 5.719 -1.720 9.403 1.00 0.00 C ATOM 738 NE1 TRP A 43 5.996 -0.757 11.380 1.00 0.00 N ATOM 739 CE2 TRP A 43 5.018 -1.063 10.457 1.00 0.00 C ATOM 740 CE3 TRP A 43 4.950 -2.237 8.338 1.00 0.00 C ATOM 741 CZ2 TRP A 43 3.634 -0.848 10.412 1.00 0.00 C ATOM 742 CZ3 TRP A 43 3.557 -2.021 8.285 1.00 0.00 C ATOM 743 CH2 TRP A 43 2.901 -1.322 9.313 1.00 0.00 C ATOM 0 H TRP A 43 9.277 -4.271 7.024 1.00 0.00 H new ATOM 0 HA TRP A 43 9.142 -3.791 9.888 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.152 -1.501 9.079 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.021 -1.890 7.798 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.178 -0.927 11.450 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.814 -0.332 12.289 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.433 -2.804 7.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.137 -0.323 11.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.989 -2.396 7.447 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.836 -1.150 9.257 1.00 0.00 H new ATOM 754 N THR A 44 6.776 -4.821 9.855 1.00 0.00 N ATOM 755 CA THR A 44 5.433 -5.432 9.814 1.00 0.00 C ATOM 756 C THR A 44 4.458 -4.734 10.759 1.00 0.00 C ATOM 757 O THR A 44 4.847 -4.202 11.803 1.00 0.00 O ATOM 758 CB THR A 44 5.426 -6.936 10.123 1.00 0.00 C ATOM 759 OG1 THR A 44 5.832 -7.224 11.445 1.00 0.00 O ATOM 760 CG2 THR A 44 6.310 -7.746 9.190 1.00 0.00 C ATOM 0 H THR A 44 7.111 -4.641 10.801 1.00 0.00 H new ATOM 0 HA THR A 44 5.108 -5.300 8.782 1.00 0.00 H new ATOM 0 HB THR A 44 4.385 -7.225 9.979 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.263 -8.104 11.471 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.259 -8.800 9.464 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.966 -7.621 8.163 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.340 -7.399 9.273 1.00 0.00 H new ATOM 768 N GLY A 45 3.173 -4.764 10.413 1.00 0.00 N ATOM 769 CA GLY A 45 2.121 -4.105 11.186 1.00 0.00 C ATOM 770 C GLY A 45 0.758 -4.136 10.506 1.00 0.00 C ATOM 771 O GLY A 45 0.441 -5.075 9.785 1.00 0.00 O ATOM 0 H GLY A 45 2.830 -5.249 9.584 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.043 -4.585 12.161 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.406 -3.068 11.363 1.00 0.00 H new ATOM 775 N ARG A 46 -0.058 -3.115 10.756 1.00 0.00 N ATOM 776 CA ARG A 46 -1.448 -2.987 10.308 1.00 0.00 C ATOM 777 C ARG A 46 -1.548 -2.201 9.003 1.00 0.00 C ATOM 778 O ARG A 46 -0.896 -1.167 8.841 1.00 0.00 O ATOM 779 CB ARG A 46 -2.282 -2.286 11.396 1.00 0.00 C ATOM 780 CG ARG A 46 -2.246 -2.988 12.763 1.00 0.00 C ATOM 781 CD ARG A 46 -2.978 -2.131 13.808 1.00 0.00 C ATOM 782 NE ARG A 46 -3.429 -2.924 14.972 1.00 0.00 N ATOM 783 CZ ARG A 46 -3.320 -2.620 16.255 1.00 0.00 C ATOM 784 NH1 ARG A 46 -3.982 -3.303 17.143 1.00 0.00 N ATOM 785 NH2 ARG A 46 -2.560 -1.658 16.694 1.00 0.00 N ATOM 0 H ARG A 46 0.246 -2.311 11.305 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.835 -3.990 10.129 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.920 -1.265 11.514 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.317 -2.221 11.060 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.715 -3.969 12.691 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.213 -3.151 13.071 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.316 -1.335 14.149 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.839 -1.652 13.342 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.879 -3.814 14.760 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.584 -4.072 16.850 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.898 -3.069 18.132 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.014 -1.099 16.038 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.510 -1.463 17.694 1.00 0.00 H new ATOM 799 N LEU A 47 -2.445 -2.640 8.123 1.00 0.00 N ATOM 800 CA LEU A 47 -3.018 -1.802 7.070 1.00 0.00 C ATOM 801 C LEU A 47 -4.116 -0.921 7.677 1.00 0.00 C ATOM 802 O LEU A 47 -4.956 -1.429 8.421 1.00 0.00 O ATOM 803 CB LEU A 47 -3.629 -2.707 5.982 1.00 0.00 C ATOM 804 CG LEU A 47 -4.308 -1.941 4.830 1.00 0.00 C ATOM 805 CD1 LEU A 47 -3.269 -1.316 3.900 1.00 0.00 C ATOM 806 CD2 LEU A 47 -5.231 -2.875 4.054 1.00 0.00 C ATOM 0 H LEU A 47 -2.799 -3.597 8.120 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.244 -1.173 6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.844 -3.340 5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.361 -3.368 6.445 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.903 -1.133 5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.775 -0.782 3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.648 -0.620 4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.642 -2.100 3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.706 -2.325 3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.651 -3.700 3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.997 -3.268 4.723 1.00 0.00 H new ATOM 818 N ARG A 48 -4.173 0.355 7.289 1.00 0.00 N ATOM 819 CA ARG A 48 -5.305 1.250 7.570 1.00 0.00 C ATOM 820 C ARG A 48 -5.536 2.219 6.409 1.00 0.00 C ATOM 821 O ARG A 48 -5.019 3.336 6.373 1.00 0.00 O ATOM 822 CB ARG A 48 -5.068 1.925 8.934 1.00 0.00 C ATOM 823 CG ARG A 48 -6.240 2.809 9.388 1.00 0.00 C ATOM 824 CD ARG A 48 -6.358 2.779 10.918 1.00 0.00 C ATOM 825 NE ARG A 48 -7.349 3.747 11.416 1.00 0.00 N ATOM 826 CZ ARG A 48 -7.155 5.041 11.601 1.00 0.00 C ATOM 827 NH1 ARG A 48 -8.121 5.805 12.011 1.00 0.00 N ATOM 828 NH2 ARG A 48 -6.024 5.644 11.394 1.00 0.00 N ATOM 0 H ARG A 48 -3.424 0.805 6.763 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.238 0.691 7.648 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.890 1.156 9.686 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.164 2.532 8.879 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.087 3.833 9.047 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.168 2.457 8.936 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.638 1.776 11.240 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.386 2.996 11.360 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.275 3.384 11.640 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.043 5.408 12.194 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.959 6.802 12.150 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.216 5.114 11.068 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.944 6.648 11.557 1.00 0.00 H new ATOM 842 N ILE A 49 -6.332 1.772 5.438 1.00 0.00 N ATOM 843 CA ILE A 49 -6.787 2.611 4.326 1.00 0.00 C ATOM 844 C ILE A 49 -7.821 3.598 4.865 1.00 0.00 C ATOM 845 O ILE A 49 -8.806 3.212 5.500 1.00 0.00 O ATOM 846 CB ILE A 49 -7.352 1.801 3.140 1.00 0.00 C ATOM 847 CG1 ILE A 49 -6.374 0.686 2.715 1.00 0.00 C ATOM 848 CG2 ILE A 49 -7.634 2.749 1.957 1.00 0.00 C ATOM 849 CD1 ILE A 49 -6.870 -0.141 1.527 1.00 0.00 C ATOM 0 H ILE A 49 -6.682 0.815 5.399 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.925 3.142 3.922 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.282 1.326 3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.414 1.134 2.460 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.201 0.023 3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.033 2.177 1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.360 3.503 2.260 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.708 3.238 1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.133 -0.906 1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.816 -0.618 1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.016 0.511 0.665 1.00 0.00 H new ATOM 861 N THR A 50 -7.581 4.873 4.591 1.00 0.00 N ATOM 862 CA THR A 50 -8.406 6.020 4.973 1.00 0.00 C ATOM 863 C THR A 50 -8.584 6.959 3.773 1.00 0.00 C ATOM 864 O THR A 50 -7.855 6.850 2.791 1.00 0.00 O ATOM 865 CB THR A 50 -7.778 6.769 6.165 1.00 0.00 C ATOM 866 OG1 THR A 50 -6.390 6.927 6.034 1.00 0.00 O ATOM 867 CG2 THR A 50 -8.012 6.086 7.510 1.00 0.00 C ATOM 0 H THR A 50 -6.755 5.156 4.064 1.00 0.00 H new ATOM 0 HA THR A 50 -9.387 5.659 5.283 1.00 0.00 H new ATOM 0 HB THR A 50 -8.282 7.735 6.148 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.969 6.867 6.917 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.542 6.670 8.301 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.083 6.014 7.700 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.579 5.086 7.491 1.00 0.00 H new ATOM 875 N SER A 51 -9.538 7.887 3.832 1.00 0.00 N ATOM 876 CA SER A 51 -9.769 8.922 2.809 1.00 0.00 C ATOM 877 C SER A 51 -10.293 10.218 3.410 1.00 0.00 C ATOM 878 O SER A 51 -10.845 10.227 4.511 1.00 0.00 O ATOM 879 CB SER A 51 -10.788 8.447 1.764 1.00 0.00 C ATOM 880 OG SER A 51 -10.196 7.544 0.855 1.00 0.00 O ATOM 0 H SER A 51 -10.193 7.947 4.612 1.00 0.00 H new ATOM 0 HA SER A 51 -8.800 9.104 2.344 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.630 7.967 2.263 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.186 9.305 1.223 1.00 0.00 H new ATOM 0 HG SER A 51 -9.394 7.152 1.259 1.00 0.00 H new ATOM 886 N LYS A 52 -10.178 11.316 2.660 1.00 0.00 N ATOM 887 CA LYS A 52 -11.019 12.500 2.835 1.00 0.00 C ATOM 888 C LYS A 52 -11.208 13.256 1.512 1.00 0.00 C ATOM 889 O LYS A 52 -10.243 13.724 0.906 1.00 0.00 O ATOM 890 CB LYS A 52 -10.413 13.372 3.938 1.00 0.00 C ATOM 891 CG LYS A 52 -11.404 14.369 4.548 1.00 0.00 C ATOM 892 CD LYS A 52 -12.652 13.785 5.234 1.00 0.00 C ATOM 893 CE LYS A 52 -12.288 12.888 6.424 1.00 0.00 C ATOM 894 NZ LYS A 52 -13.494 12.459 7.180 1.00 0.00 N ATOM 0 H LYS A 52 -9.494 11.408 1.909 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.021 12.202 3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.027 12.728 4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.564 13.920 3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.868 14.975 5.279 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.736 15.043 3.758 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.292 14.599 5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.228 13.210 4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.751 12.009 6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.613 13.424 7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.285 12.465 8.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.278 13.113 6.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.763 11.498 6.888 1.00 0.00 H new ATOM 908 N GLY A 53 -12.455 13.354 1.051 1.00 0.00 N ATOM 909 CA GLY A 53 -12.831 13.951 -0.224 1.00 0.00 C ATOM 910 C GLY A 53 -12.271 13.137 -1.384 1.00 0.00 C ATOM 911 O GLY A 53 -12.343 11.905 -1.409 1.00 0.00 O ATOM 0 H GLY A 53 -13.257 13.006 1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.917 14.004 -0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.458 14.974 -0.277 1.00 0.00 H new ATOM 915 N LYS A 54 -11.657 13.841 -2.326 1.00 0.00 N ATOM 916 CA LYS A 54 -11.030 13.297 -3.535 1.00 0.00 C ATOM 917 C LYS A 54 -9.575 12.838 -3.331 1.00 0.00 C ATOM 918 O LYS A 54 -8.816 12.730 -4.293 1.00 0.00 O ATOM 919 CB LYS A 54 -11.198 14.351 -4.632 1.00 0.00 C ATOM 920 CG LYS A 54 -12.662 14.477 -5.086 1.00 0.00 C ATOM 921 CD LYS A 54 -12.847 15.391 -6.305 1.00 0.00 C ATOM 922 CE LYS A 54 -12.433 16.841 -6.017 1.00 0.00 C ATOM 923 NZ LYS A 54 -12.671 17.722 -7.190 1.00 0.00 N ATOM 0 H LYS A 54 -11.576 14.856 -2.270 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.526 12.371 -3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.847 15.316 -4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.574 14.089 -5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.047 13.485 -5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.259 14.862 -4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.258 15.006 -7.137 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.891 15.369 -6.617 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.993 17.216 -5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.378 16.872 -5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.380 18.693 -6.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.118 17.378 -8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.682 17.712 -7.432 1.00 0.00 H new ATOM 937 N THR A 55 -9.195 12.537 -2.089 1.00 0.00 N ATOM 938 CA THR A 55 -7.875 12.009 -1.722 1.00 0.00 C ATOM 939 C THR A 55 -8.026 10.796 -0.804 1.00 0.00 C ATOM 940 O THR A 55 -8.687 10.878 0.235 1.00 0.00 O ATOM 941 CB THR A 55 -7.004 13.084 -1.049 1.00 0.00 C ATOM 942 OG1 THR A 55 -6.988 14.271 -1.821 1.00 0.00 O ATOM 943 CG2 THR A 55 -5.553 12.626 -0.924 1.00 0.00 C ATOM 0 H THR A 55 -9.812 12.656 -1.286 1.00 0.00 H new ATOM 0 HA THR A 55 -7.373 11.701 -2.639 1.00 0.00 H new ATOM 0 HB THR A 55 -7.437 13.259 -0.064 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.431 14.943 -1.376 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.965 13.408 -0.445 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.509 11.718 -0.322 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.148 12.424 -1.916 1.00 0.00 H new ATOM 951 N ALA A 56 -7.396 9.682 -1.175 1.00 0.00 N ATOM 952 CA ALA A 56 -7.226 8.502 -0.329 1.00 0.00 C ATOM 953 C ALA A 56 -5.826 8.475 0.300 1.00 0.00 C ATOM 954 O ALA A 56 -4.899 9.123 -0.184 1.00 0.00 O ATOM 955 CB ALA A 56 -7.540 7.231 -1.126 1.00 0.00 C ATOM 0 H ALA A 56 -6.978 9.573 -2.099 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.935 8.550 0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.410 6.359 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.570 7.270 -1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.864 7.160 -1.978 1.00 0.00 H new ATOM 961 N TYR A 57 -5.678 7.715 1.378 1.00 0.00 N ATOM 962 CA TYR A 57 -4.493 7.633 2.221 1.00 0.00 C ATOM 963 C TYR A 57 -4.297 6.173 2.669 1.00 0.00 C ATOM 964 O TYR A 57 -5.011 5.673 3.541 1.00 0.00 O ATOM 965 CB TYR A 57 -4.679 8.565 3.438 1.00 0.00 C ATOM 966 CG TYR A 57 -4.990 10.026 3.145 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.963 10.885 2.709 1.00 0.00 C ATOM 968 CD2 TYR A 57 -6.289 10.543 3.351 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.228 12.248 2.472 1.00 0.00 C ATOM 970 CE2 TYR A 57 -6.560 11.903 3.105 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.530 12.761 2.670 1.00 0.00 C ATOM 972 OH TYR A 57 -5.794 14.080 2.457 1.00 0.00 O ATOM 0 H TYR A 57 -6.426 7.104 1.706 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.607 7.950 1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.484 8.163 4.053 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.770 8.525 4.038 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.967 10.497 2.556 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.078 9.892 3.699 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.436 12.902 2.139 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.558 12.289 3.250 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.740 14.258 2.640 1.00 0.00 H new ATOM 982 N ILE A 58 -3.322 5.462 2.096 1.00 0.00 N ATOM 983 CA ILE A 58 -2.906 4.149 2.614 1.00 0.00 C ATOM 984 C ILE A 58 -1.966 4.414 3.788 1.00 0.00 C ATOM 985 O ILE A 58 -0.778 4.669 3.582 1.00 0.00 O ATOM 986 CB ILE A 58 -2.273 3.247 1.523 1.00 0.00 C ATOM 987 CG1 ILE A 58 -3.234 2.861 0.376 1.00 0.00 C ATOM 988 CG2 ILE A 58 -1.770 1.933 2.153 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.402 3.940 -0.697 1.00 0.00 C ATOM 0 H ILE A 58 -2.804 5.771 1.273 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.774 3.582 2.950 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.466 3.844 1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.869 1.949 -0.097 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.212 2.631 0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.327 1.305 1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.021 2.157 2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.606 1.406 2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.092 3.587 -1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.799 4.847 -0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.435 4.155 -1.151 1.00 0.00 H new ATOM 1001 N LYS A 59 -2.496 4.398 5.017 1.00 0.00 N ATOM 1002 CA LYS A 59 -1.694 4.522 6.243 1.00 0.00 C ATOM 1003 C LYS A 59 -1.290 3.142 6.771 1.00 0.00 C ATOM 1004 O LYS A 59 -2.092 2.207 6.776 1.00 0.00 O ATOM 1005 CB LYS A 59 -2.421 5.377 7.297 1.00 0.00 C ATOM 1006 CG LYS A 59 -2.945 6.692 6.694 1.00 0.00 C ATOM 1007 CD LYS A 59 -3.291 7.747 7.746 1.00 0.00 C ATOM 1008 CE LYS A 59 -3.935 8.960 7.063 1.00 0.00 C ATOM 1009 NZ LYS A 59 -4.300 10.006 8.049 1.00 0.00 N ATOM 0 H LYS A 59 -3.496 4.298 5.191 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.770 5.049 6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.253 4.811 7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.741 5.598 8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.193 7.098 6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.832 6.481 6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.973 7.328 8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.391 8.052 8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.245 9.375 6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.825 8.643 6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.733 10.812 7.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.978 9.615 8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.446 10.325 8.549 1.00 0.00 H new ATOM 1023 N LEU A 60 -0.042 3.016 7.210 1.00 0.00 N ATOM 1024 CA LEU A 60 0.523 1.830 7.859 1.00 0.00 C ATOM 1025 C LEU A 60 0.836 2.143 9.326 1.00 0.00 C ATOM 1026 O LEU A 60 1.504 3.134 9.626 1.00 0.00 O ATOM 1027 CB LEU A 60 1.779 1.372 7.101 1.00 0.00 C ATOM 1028 CG LEU A 60 1.538 0.274 6.054 1.00 0.00 C ATOM 1029 CD1 LEU A 60 0.533 0.648 4.964 1.00 0.00 C ATOM 1030 CD2 LEU A 60 2.862 -0.043 5.365 1.00 0.00 C ATOM 0 H LEU A 60 0.638 3.771 7.121 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.201 1.015 7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.222 2.236 6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.510 1.010 7.824 1.00 0.00 H new ATOM 0 HG LEU A 60 1.123 -0.574 6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.424 -0.184 4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.432 0.869 5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.890 1.526 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.706 -0.822 4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.243 0.855 4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.584 -0.389 6.105 1.00 0.00 H new ATOM 1042 N GLU A 61 0.363 1.301 10.242 1.00 0.00 N ATOM 1043 CA GLU A 61 0.374 1.564 11.691 1.00 0.00 C ATOM 1044 C GLU A 61 0.833 0.334 12.486 1.00 0.00 C ATOM 1045 O GLU A 61 0.617 -0.800 12.070 1.00 0.00 O ATOM 1046 CB GLU A 61 -1.020 2.031 12.156 1.00 0.00 C ATOM 1047 CG GLU A 61 -1.384 3.431 11.628 1.00 0.00 C ATOM 1048 CD GLU A 61 -2.821 3.859 11.986 1.00 0.00 C ATOM 1049 OE1 GLU A 61 -3.314 3.541 13.094 1.00 0.00 O ATOM 1050 OE2 GLU A 61 -3.471 4.537 11.152 1.00 0.00 O ATOM 0 H GLU A 61 -0.047 0.399 10.000 1.00 0.00 H new ATOM 0 HA GLU A 61 1.094 2.360 11.884 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.770 1.314 11.820 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.052 2.038 13.246 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.683 4.160 12.035 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.266 3.446 10.544 1.00 0.00 H new ATOM 1057 N ASP A 62 1.486 0.519 13.630 1.00 0.00 N ATOM 1058 CA ASP A 62 2.036 -0.579 14.423 1.00 0.00 C ATOM 1059 C ASP A 62 0.927 -1.429 15.064 1.00 0.00 C ATOM 1060 O ASP A 62 -0.072 -0.912 15.572 1.00 0.00 O ATOM 1061 CB ASP A 62 2.968 0.012 15.478 1.00 0.00 C ATOM 1062 CG ASP A 62 3.835 -1.068 16.125 1.00 0.00 C ATOM 1063 OD1 ASP A 62 3.311 -1.736 17.041 1.00 0.00 O ATOM 1064 OD2 ASP A 62 4.998 -1.260 15.704 1.00 0.00 O ATOM 0 H ASP A 62 1.650 1.440 14.036 1.00 0.00 H new ATOM 0 HA ASP A 62 2.596 -1.252 13.773 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.607 0.767 15.019 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.379 0.516 16.245 1.00 0.00 H new ATOM 1069 N LYS A 63 1.123 -2.749 15.070 1.00 0.00 N ATOM 1070 CA LYS A 63 0.169 -3.741 15.592 1.00 0.00 C ATOM 1071 C LYS A 63 0.163 -3.913 17.113 1.00 0.00 C ATOM 1072 O LYS A 63 -0.689 -4.627 17.642 1.00 0.00 O ATOM 1073 CB LYS A 63 0.325 -5.077 14.841 1.00 0.00 C ATOM 1074 CG LYS A 63 1.780 -5.566 14.819 1.00 0.00 C ATOM 1075 CD LYS A 63 1.916 -6.915 14.110 1.00 0.00 C ATOM 1076 CE LYS A 63 3.346 -7.060 13.582 1.00 0.00 C ATOM 1077 NZ LYS A 63 3.532 -8.321 12.821 1.00 0.00 N ATOM 0 H LYS A 63 1.974 -3.174 14.702 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.822 -3.335 15.391 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.303 -5.832 15.314 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.032 -4.960 13.818 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.404 -4.827 14.317 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.149 -5.654 15.841 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.685 -7.727 14.799 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.203 -6.982 13.288 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.584 -6.211 12.941 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.045 -7.034 14.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.327 -8.213 12.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.734 -9.098 13.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.665 -8.536 12.288 1.00 0.00 H new ATOM 1091 N VAL A 64 1.068 -3.234 17.811 1.00 0.00 N ATOM 1092 CA VAL A 64 1.204 -3.257 19.272 1.00 0.00 C ATOM 1093 C VAL A 64 1.097 -1.850 19.864 1.00 0.00 C ATOM 1094 O VAL A 64 0.380 -1.661 20.849 1.00 0.00 O ATOM 1095 CB VAL A 64 2.538 -3.934 19.643 1.00 0.00 C ATOM 1096 CG1 VAL A 64 2.869 -3.839 21.138 1.00 0.00 C ATOM 1097 CG2 VAL A 64 2.527 -5.420 19.259 1.00 0.00 C ATOM 0 H VAL A 64 1.755 -2.628 17.362 1.00 0.00 H new ATOM 0 HA VAL A 64 0.385 -3.835 19.701 1.00 0.00 H new ATOM 0 HB VAL A 64 3.300 -3.392 19.082 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.820 -4.335 21.332 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.940 -2.791 21.429 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.082 -4.324 21.716 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.480 -5.873 19.532 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.720 -5.926 19.788 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.374 -5.517 18.184 1.00 0.00 H new ATOM 1107 N SER A 65 1.747 -0.852 19.255 1.00 0.00 N ATOM 1108 CA SER A 65 1.772 0.528 19.768 1.00 0.00 C ATOM 1109 C SER A 65 0.693 1.428 19.155 1.00 0.00 C ATOM 1110 O SER A 65 0.336 2.450 19.743 1.00 0.00 O ATOM 1111 CB SER A 65 3.154 1.151 19.544 1.00 0.00 C ATOM 1112 OG SER A 65 4.149 0.434 20.260 1.00 0.00 O ATOM 0 H SER A 65 2.273 -0.976 18.390 1.00 0.00 H new ATOM 0 HA SER A 65 1.556 0.461 20.834 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.392 1.149 18.480 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.146 2.192 19.867 1.00 0.00 H new ATOM 0 HG SER A 65 5.025 0.845 20.104 1.00 0.00 H new ATOM 1118 N GLY A 66 0.174 1.071 17.973 1.00 0.00 N ATOM 1119 CA GLY A 66 -0.816 1.868 17.231 1.00 0.00 C ATOM 1120 C GLY A 66 -0.237 3.140 16.597 1.00 0.00 C ATOM 1121 O GLY A 66 -0.980 4.050 16.230 1.00 0.00 O ATOM 0 H GLY A 66 0.433 0.207 17.497 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.253 1.249 16.447 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.625 2.146 17.907 1.00 0.00 H new ATOM 1125 N GLU A 67 1.093 3.230 16.503 1.00 0.00 N ATOM 1126 CA GLU A 67 1.827 4.393 16.001 1.00 0.00 C ATOM 1127 C GLU A 67 2.027 4.336 14.478 1.00 0.00 C ATOM 1128 O GLU A 67 2.148 3.252 13.905 1.00 0.00 O ATOM 1129 CB GLU A 67 3.143 4.539 16.784 1.00 0.00 C ATOM 1130 CG GLU A 67 4.213 3.485 16.466 1.00 0.00 C ATOM 1131 CD GLU A 67 5.487 3.732 17.299 1.00 0.00 C ATOM 1132 OE1 GLU A 67 5.593 3.193 18.426 1.00 0.00 O ATOM 1133 OE2 GLU A 67 6.390 4.469 16.833 1.00 0.00 O ATOM 0 H GLU A 67 1.709 2.467 16.785 1.00 0.00 H new ATOM 0 HA GLU A 67 1.235 5.293 16.171 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.558 5.527 16.584 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.920 4.497 17.850 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.823 2.489 16.676 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.456 3.515 15.404 1.00 0.00 H new ATOM 1140 N LEU A 68 2.067 5.489 13.804 1.00 0.00 N ATOM 1141 CA LEU A 68 2.223 5.560 12.346 1.00 0.00 C ATOM 1142 C LEU A 68 3.652 5.173 11.917 1.00 0.00 C ATOM 1143 O LEU A 68 4.628 5.772 12.378 1.00 0.00 O ATOM 1144 CB LEU A 68 1.838 6.975 11.864 1.00 0.00 C ATOM 1145 CG LEU A 68 1.753 7.116 10.330 1.00 0.00 C ATOM 1146 CD1 LEU A 68 0.489 6.467 9.767 1.00 0.00 C ATOM 1147 CD2 LEU A 68 1.726 8.592 9.930 1.00 0.00 C ATOM 0 H LEU A 68 1.992 6.402 14.254 1.00 0.00 H new ATOM 0 HA LEU A 68 1.555 4.839 11.875 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.875 7.245 12.297 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.570 7.688 12.244 1.00 0.00 H new ATOM 0 HG LEU A 68 2.632 6.616 9.924 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.469 6.589 8.684 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.485 5.405 10.013 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.389 6.943 10.202 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.666 8.674 8.845 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.858 9.075 10.379 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.635 9.081 10.281 1.00 0.00 H new ATOM 1159 N PHE A 69 3.771 4.216 10.993 1.00 0.00 N ATOM 1160 CA PHE A 69 5.023 3.896 10.298 1.00 0.00 C ATOM 1161 C PHE A 69 5.218 4.819 9.086 1.00 0.00 C ATOM 1162 O PHE A 69 6.200 5.562 9.021 1.00 0.00 O ATOM 1163 CB PHE A 69 5.040 2.406 9.907 1.00 0.00 C ATOM 1164 CG PHE A 69 6.062 2.052 8.837 1.00 0.00 C ATOM 1165 CD1 PHE A 69 7.439 2.212 9.085 1.00 0.00 C ATOM 1166 CD2 PHE A 69 5.631 1.643 7.559 1.00 0.00 C ATOM 1167 CE1 PHE A 69 8.373 1.999 8.054 1.00 0.00 C ATOM 1168 CE2 PHE A 69 6.562 1.451 6.525 1.00 0.00 C ATOM 1169 CZ PHE A 69 7.934 1.636 6.768 1.00 0.00 C ATOM 0 H PHE A 69 2.988 3.631 10.701 1.00 0.00 H new ATOM 0 HA PHE A 69 5.865 4.070 10.968 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.242 1.811 10.797 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.048 2.124 9.554 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.779 2.499 10.069 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.580 1.476 7.374 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.429 2.114 8.251 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.223 1.161 5.542 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.649 1.500 5.970 1.00 0.00 H new ATOM 1179 N ALA A 70 4.266 4.798 8.147 1.00 0.00 N ATOM 1180 CA ALA A 70 4.263 5.614 6.935 1.00 0.00 C ATOM 1181 C ALA A 70 2.835 5.811 6.395 1.00 0.00 C ATOM 1182 O ALA A 70 1.913 5.088 6.779 1.00 0.00 O ATOM 1183 CB ALA A 70 5.150 4.924 5.890 1.00 0.00 C ATOM 0 H ALA A 70 3.450 4.190 8.215 1.00 0.00 H new ATOM 0 HA ALA A 70 4.655 6.605 7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.163 5.517 4.975 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.165 4.833 6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.753 3.932 5.674 1.00 0.00 H new ATOM 1189 N GLN A 71 2.653 6.762 5.475 1.00 0.00 N ATOM 1190 CA GLN A 71 1.394 6.949 4.748 1.00 0.00 C ATOM 1191 C GLN A 71 1.616 7.345 3.285 1.00 0.00 C ATOM 1192 O GLN A 71 2.536 8.103 2.980 1.00 0.00 O ATOM 1193 CB GLN A 71 0.482 7.938 5.494 1.00 0.00 C ATOM 1194 CG GLN A 71 0.995 9.387 5.592 1.00 0.00 C ATOM 1195 CD GLN A 71 0.549 10.279 4.433 1.00 0.00 C ATOM 1196 OE1 GLN A 71 -0.600 10.284 4.011 1.00 0.00 O ATOM 1197 NE2 GLN A 71 1.424 11.089 3.884 1.00 0.00 N ATOM 0 H GLN A 71 3.379 7.428 5.212 1.00 0.00 H new ATOM 0 HA GLN A 71 0.883 5.987 4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.489 7.950 4.999 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.320 7.562 6.504 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.647 9.823 6.529 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.084 9.375 5.631 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.387 11.102 4.219 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.141 11.705 3.122 1.00 0.00 H new ATOM 1206 N ALA A 72 0.769 6.840 2.387 1.00 0.00 N ATOM 1207 CA ALA A 72 0.819 7.104 0.950 1.00 0.00 C ATOM 1208 C ALA A 72 -0.494 7.758 0.461 1.00 0.00 C ATOM 1209 O ALA A 72 -1.517 7.071 0.378 1.00 0.00 O ATOM 1210 CB ALA A 72 1.144 5.784 0.238 1.00 0.00 C ATOM 0 H ALA A 72 0.006 6.216 2.649 1.00 0.00 H new ATOM 0 HA ALA A 72 1.602 7.824 0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.188 5.952 -0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.107 5.410 0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.369 5.051 0.460 1.00 0.00 H new ATOM 1216 N PRO A 73 -0.495 9.074 0.158 1.00 0.00 N ATOM 1217 CA PRO A 73 -1.652 9.782 -0.384 1.00 0.00 C ATOM 1218 C PRO A 73 -1.851 9.496 -1.882 1.00 0.00 C ATOM 1219 O PRO A 73 -0.886 9.357 -2.637 1.00 0.00 O ATOM 1220 CB PRO A 73 -1.392 11.265 -0.111 1.00 0.00 C ATOM 1221 CG PRO A 73 0.129 11.363 -0.172 1.00 0.00 C ATOM 1222 CD PRO A 73 0.588 10.019 0.399 1.00 0.00 C ATOM 0 HA PRO A 73 -2.577 9.450 0.088 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.868 11.902 -0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.778 11.570 0.862 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.483 11.509 -1.193 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.503 12.200 0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.507 9.686 -0.083 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.800 10.103 1.465 1.00 0.00 H new ATOM 1230 N VAL A 74 -3.111 9.436 -2.318 1.00 0.00 N ATOM 1231 CA VAL A 74 -3.548 9.035 -3.667 1.00 0.00 C ATOM 1232 C VAL A 74 -4.666 9.968 -4.143 1.00 0.00 C ATOM 1233 O VAL A 74 -5.664 10.127 -3.443 1.00 0.00 O ATOM 1234 CB VAL A 74 -4.071 7.578 -3.669 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -4.202 7.043 -5.099 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -3.206 6.594 -2.876 1.00 0.00 C ATOM 0 H VAL A 74 -3.897 9.677 -1.714 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.691 9.102 -4.338 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.042 7.638 -3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.571 6.018 -5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.901 7.666 -5.658 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.227 7.065 -5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.645 5.598 -2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.201 6.571 -3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.155 6.912 -1.835 1.00 0.00 H new ATOM 1246 N GLU A 75 -4.540 10.569 -5.329 1.00 0.00 N ATOM 1247 CA GLU A 75 -5.555 11.507 -5.864 1.00 0.00 C ATOM 1248 C GLU A 75 -6.629 10.819 -6.731 1.00 0.00 C ATOM 1249 O GLU A 75 -7.733 11.338 -6.891 1.00 0.00 O ATOM 1250 CB GLU A 75 -4.862 12.627 -6.657 1.00 0.00 C ATOM 1251 CG GLU A 75 -3.985 13.517 -5.767 1.00 0.00 C ATOM 1252 CD GLU A 75 -3.382 14.681 -6.578 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -4.007 15.768 -6.648 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -2.274 14.521 -7.147 1.00 0.00 O ATOM 0 H GLU A 75 -3.742 10.427 -5.948 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.081 11.926 -5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.248 12.186 -7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.617 13.241 -7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.579 13.912 -4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.185 12.922 -5.327 1.00 0.00 H new ATOM 1261 N GLN A 76 -6.310 9.646 -7.285 1.00 0.00 N ATOM 1262 CA GLN A 76 -7.226 8.731 -7.975 1.00 0.00 C ATOM 1263 C GLN A 76 -6.613 7.325 -8.065 1.00 0.00 C ATOM 1264 O GLN A 76 -5.394 7.197 -8.207 1.00 0.00 O ATOM 1265 CB GLN A 76 -7.617 9.259 -9.375 1.00 0.00 C ATOM 1266 CG GLN A 76 -6.553 9.202 -10.488 1.00 0.00 C ATOM 1267 CD GLN A 76 -5.307 10.047 -10.224 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -5.222 11.215 -10.584 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -4.291 9.493 -9.596 1.00 0.00 N ATOM 0 H GLN A 76 -5.355 9.289 -7.263 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.142 8.672 -7.388 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.487 8.696 -9.714 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.932 10.297 -9.266 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.249 8.165 -10.628 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.007 9.531 -11.423 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.349 8.521 -9.291 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.446 10.035 -9.415 1.00 0.00 H new ATOM 1278 N TYR A 77 -7.444 6.283 -8.031 1.00 0.00 N ATOM 1279 CA TYR A 77 -7.035 4.887 -8.205 1.00 0.00 C ATOM 1280 C TYR A 77 -7.673 4.278 -9.475 1.00 0.00 C ATOM 1281 O TYR A 77 -8.895 4.388 -9.634 1.00 0.00 O ATOM 1282 CB TYR A 77 -7.404 4.084 -6.951 1.00 0.00 C ATOM 1283 CG TYR A 77 -6.900 2.659 -6.982 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -5.524 2.402 -6.848 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -7.800 1.597 -7.183 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -5.043 1.084 -6.956 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -7.327 0.273 -7.250 1.00 0.00 C ATOM 1288 CZ TYR A 77 -5.944 0.013 -7.146 1.00 0.00 C ATOM 1289 OH TYR A 77 -5.486 -1.265 -7.244 1.00 0.00 O ATOM 0 H TYR A 77 -8.447 6.388 -7.878 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.954 4.846 -8.338 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.997 4.587 -6.074 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.488 4.076 -6.839 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.837 3.215 -6.663 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.856 1.798 -7.286 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.982 0.891 -6.893 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.022 -0.543 -7.381 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.663 -1.359 -6.720 1.00 0.00 H new ATOM 1299 N PRO A 78 -6.899 3.627 -10.369 1.00 0.00 N ATOM 1300 CA PRO A 78 -5.436 3.522 -10.357 1.00 0.00 C ATOM 1301 C PRO A 78 -4.739 4.876 -10.605 1.00 0.00 C ATOM 1302 O PRO A 78 -5.258 5.744 -11.311 1.00 0.00 O ATOM 1303 CB PRO A 78 -5.094 2.499 -11.445 1.00 0.00 C ATOM 1304 CG PRO A 78 -6.234 2.663 -12.449 1.00 0.00 C ATOM 1305 CD PRO A 78 -7.433 2.959 -11.549 1.00 0.00 C ATOM 0 HA PRO A 78 -5.077 3.208 -9.377 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.125 2.703 -11.900 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -5.052 1.486 -11.046 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.043 3.476 -13.150 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.385 1.761 -13.041 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -8.157 3.593 -12.061 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.951 2.040 -11.275 1.00 0.00 H new ATOM 1313 N GLY A 79 -3.554 5.044 -10.016 1.00 0.00 N ATOM 1314 CA GLY A 79 -2.708 6.241 -10.122 1.00 0.00 C ATOM 1315 C GLY A 79 -1.227 5.939 -9.864 1.00 0.00 C ATOM 1316 O GLY A 79 -0.814 4.779 -9.866 1.00 0.00 O ATOM 0 H GLY A 79 -3.138 4.322 -9.427 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.819 6.674 -11.116 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.052 6.990 -9.408 1.00 0.00 H new ATOM 1320 N ILE A 80 -0.414 6.974 -9.617 1.00 0.00 N ATOM 1321 CA ILE A 80 1.038 6.812 -9.389 1.00 0.00 C ATOM 1322 C ILE A 80 1.365 6.183 -8.024 1.00 0.00 C ATOM 1323 O ILE A 80 2.304 5.400 -7.909 1.00 0.00 O ATOM 1324 CB ILE A 80 1.789 8.151 -9.605 1.00 0.00 C ATOM 1325 CG1 ILE A 80 3.312 7.933 -9.440 1.00 0.00 C ATOM 1326 CG2 ILE A 80 1.285 9.269 -8.670 1.00 0.00 C ATOM 1327 CD1 ILE A 80 4.198 9.095 -9.898 1.00 0.00 C ATOM 0 H ILE A 80 -0.735 7.941 -9.569 1.00 0.00 H new ATOM 0 HA ILE A 80 1.396 6.103 -10.135 1.00 0.00 H new ATOM 0 HB ILE A 80 1.583 8.485 -10.622 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.521 7.732 -8.389 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.596 7.041 -9.998 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.844 10.184 -8.863 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.225 9.446 -8.853 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.429 8.968 -7.632 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.245 8.839 -9.739 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.028 9.286 -10.958 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.952 9.988 -9.324 1.00 0.00 H new ATOM 1339 N ALA A 81 0.591 6.496 -6.983 1.00 0.00 N ATOM 1340 CA ALA A 81 0.929 6.180 -5.592 1.00 0.00 C ATOM 1341 C ALA A 81 0.555 4.758 -5.152 1.00 0.00 C ATOM 1342 O ALA A 81 0.715 4.440 -3.976 1.00 0.00 O ATOM 1343 CB ALA A 81 0.334 7.278 -4.704 1.00 0.00 C ATOM 0 H ALA A 81 -0.300 6.982 -7.083 1.00 0.00 H new ATOM 0 HA ALA A 81 2.014 6.173 -5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.570 7.070 -3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.756 8.243 -4.986 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.748 7.304 -4.833 1.00 0.00 H new ATOM 1349 N VAL A 82 0.089 3.911 -6.076 1.00 0.00 N ATOM 1350 CA VAL A 82 -0.318 2.518 -5.831 1.00 0.00 C ATOM 1351 C VAL A 82 -0.110 1.678 -7.103 1.00 0.00 C ATOM 1352 O VAL A 82 -0.587 2.043 -8.177 1.00 0.00 O ATOM 1353 CB VAL A 82 -1.796 2.422 -5.399 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -2.130 0.993 -4.941 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -2.224 3.371 -4.272 1.00 0.00 C ATOM 0 H VAL A 82 -0.020 4.184 -7.053 1.00 0.00 H new ATOM 0 HA VAL A 82 0.302 2.134 -5.021 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.345 2.718 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.176 0.943 -4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.955 0.298 -5.762 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.496 0.724 -4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.280 3.219 -4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.632 3.167 -3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.064 4.403 -4.585 1.00 0.00 H new ATOM 1365 N GLU A 83 0.568 0.538 -6.982 1.00 0.00 N ATOM 1366 CA GLU A 83 0.895 -0.400 -8.070 1.00 0.00 C ATOM 1367 C GLU A 83 0.799 -1.873 -7.638 1.00 0.00 C ATOM 1368 O GLU A 83 0.838 -2.192 -6.452 1.00 0.00 O ATOM 1369 CB GLU A 83 2.314 -0.124 -8.604 1.00 0.00 C ATOM 1370 CG GLU A 83 2.311 0.987 -9.653 1.00 0.00 C ATOM 1371 CD GLU A 83 3.673 1.090 -10.352 1.00 0.00 C ATOM 1372 OE1 GLU A 83 3.942 0.293 -11.280 1.00 0.00 O ATOM 1373 OE2 GLU A 83 4.494 1.970 -10.004 1.00 0.00 O ATOM 0 H GLU A 83 0.925 0.222 -6.080 1.00 0.00 H new ATOM 0 HA GLU A 83 0.155 -0.235 -8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.967 0.156 -7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.724 -1.036 -9.039 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.533 0.792 -10.392 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.069 1.938 -9.179 1.00 0.00 H new ATOM 1380 N THR A 84 0.715 -2.778 -8.614 1.00 0.00 N ATOM 1381 CA THR A 84 0.676 -4.246 -8.458 1.00 0.00 C ATOM 1382 C THR A 84 1.974 -4.897 -8.953 1.00 0.00 C ATOM 1383 O THR A 84 2.728 -4.308 -9.736 1.00 0.00 O ATOM 1384 CB THR A 84 -0.514 -4.833 -9.240 1.00 0.00 C ATOM 1385 OG1 THR A 84 -0.470 -4.433 -10.597 1.00 0.00 O ATOM 1386 CG2 THR A 84 -1.852 -4.359 -8.676 1.00 0.00 C ATOM 0 H THR A 84 0.669 -2.498 -9.594 1.00 0.00 H new ATOM 0 HA THR A 84 0.563 -4.460 -7.395 1.00 0.00 H new ATOM 0 HB THR A 84 -0.434 -5.916 -9.149 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.233 -4.818 -11.076 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.666 -4.795 -9.255 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.939 -4.671 -7.635 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.907 -3.272 -8.735 1.00 0.00 H new ATOM 1394 N VAL A 85 2.242 -6.130 -8.514 1.00 0.00 N ATOM 1395 CA VAL A 85 3.303 -6.992 -9.052 1.00 0.00 C ATOM 1396 C VAL A 85 2.813 -7.789 -10.277 1.00 0.00 C ATOM 1397 O VAL A 85 1.628 -7.774 -10.621 1.00 0.00 O ATOM 1398 CB VAL A 85 3.828 -7.937 -7.958 1.00 0.00 C ATOM 1399 CG1 VAL A 85 4.338 -7.145 -6.754 1.00 0.00 C ATOM 1400 CG2 VAL A 85 2.758 -8.921 -7.498 1.00 0.00 C ATOM 0 H VAL A 85 1.717 -6.568 -7.758 1.00 0.00 H new ATOM 0 HA VAL A 85 4.122 -6.354 -9.383 1.00 0.00 H new ATOM 0 HB VAL A 85 4.651 -8.502 -8.396 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.704 -7.835 -5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.149 -6.487 -7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.525 -6.547 -6.341 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.169 -9.570 -6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.907 -8.371 -7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.432 -9.526 -8.344 1.00 0.00 H new ATOM 1410 N THR A 86 3.714 -8.537 -10.910 1.00 0.00 N ATOM 1411 CA THR A 86 3.457 -9.398 -12.074 1.00 0.00 C ATOM 1412 C THR A 86 3.093 -10.827 -11.664 1.00 0.00 C ATOM 1413 O THR A 86 2.246 -11.456 -12.302 1.00 0.00 O ATOM 1414 CB THR A 86 4.687 -9.445 -13.000 1.00 0.00 C ATOM 1415 OG1 THR A 86 5.784 -10.028 -12.332 1.00 0.00 O ATOM 1416 CG2 THR A 86 5.145 -8.059 -13.448 1.00 0.00 C ATOM 0 H THR A 86 4.690 -8.564 -10.616 1.00 0.00 H new ATOM 0 HA THR A 86 2.609 -8.962 -12.602 1.00 0.00 H new ATOM 0 HB THR A 86 4.377 -10.028 -13.867 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.558 -10.053 -12.933 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.015 -8.156 -14.098 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.338 -7.567 -13.992 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.409 -7.463 -12.574 1.00 0.00 H new ATOM 1424 N ASP A 87 3.721 -11.347 -10.601 1.00 0.00 N ATOM 1425 CA ASP A 87 3.683 -12.784 -10.287 1.00 0.00 C ATOM 1426 C ASP A 87 2.509 -13.209 -9.388 1.00 0.00 C ATOM 1427 O ASP A 87 1.880 -14.236 -9.653 1.00 0.00 O ATOM 1428 CB ASP A 87 5.012 -13.200 -9.652 1.00 0.00 C ATOM 1429 CG ASP A 87 5.120 -14.728 -9.511 1.00 0.00 C ATOM 1430 OD1 ASP A 87 4.952 -15.250 -8.383 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.376 -15.412 -10.532 1.00 0.00 O ATOM 0 H ASP A 87 4.264 -10.792 -9.940 1.00 0.00 H new ATOM 0 HA ASP A 87 3.525 -13.300 -11.234 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.838 -12.831 -10.261 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.108 -12.736 -8.670 1.00 0.00 H new ATOM 1436 N SER A 88 2.213 -12.438 -8.330 1.00 0.00 N ATOM 1437 CA SER A 88 1.225 -12.841 -7.304 1.00 0.00 C ATOM 1438 C SER A 88 0.371 -11.686 -6.773 1.00 0.00 C ATOM 1439 O SER A 88 0.891 -10.721 -6.219 1.00 0.00 O ATOM 1440 CB SER A 88 1.940 -13.551 -6.151 1.00 0.00 C ATOM 1441 OG SER A 88 0.989 -14.010 -5.202 1.00 0.00 O ATOM 0 H SER A 88 2.642 -11.529 -8.158 1.00 0.00 H new ATOM 0 HA SER A 88 0.529 -13.521 -7.795 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.520 -14.391 -6.533 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.644 -12.869 -5.673 1.00 0.00 H new ATOM 0 HG SER A 88 1.453 -14.465 -4.468 1.00 0.00 H new ATOM 1447 N SER A 89 -0.958 -11.785 -6.888 1.00 0.00 N ATOM 1448 CA SER A 89 -1.886 -10.670 -6.620 1.00 0.00 C ATOM 1449 C SER A 89 -1.933 -10.189 -5.159 1.00 0.00 C ATOM 1450 O SER A 89 -2.545 -9.156 -4.888 1.00 0.00 O ATOM 1451 CB SER A 89 -3.317 -11.020 -7.054 1.00 0.00 C ATOM 1452 OG SER A 89 -3.365 -11.857 -8.204 1.00 0.00 O ATOM 0 H SER A 89 -1.427 -12.645 -7.171 1.00 0.00 H new ATOM 0 HA SER A 89 -1.479 -9.850 -7.212 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.829 -11.517 -6.230 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.863 -10.099 -7.260 1.00 0.00 H new ATOM 0 HG SER A 89 -3.556 -11.313 -8.997 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.299 -10.901 -4.211 1.00 0.00 N ATOM 1459 CA ARG A 90 -1.247 -10.534 -2.783 1.00 0.00 C ATOM 1460 C ARG A 90 -0.133 -9.540 -2.411 1.00 0.00 C ATOM 1461 O ARG A 90 0.213 -9.429 -1.236 1.00 0.00 O ATOM 1462 CB ARG A 90 -1.391 -11.771 -1.879 1.00 0.00 C ATOM 1463 CG ARG A 90 -0.167 -12.687 -1.821 1.00 0.00 C ATOM 1464 CD ARG A 90 -0.497 -13.946 -1.007 1.00 0.00 C ATOM 1465 NE ARG A 90 0.613 -14.916 -1.038 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.703 -14.908 -0.292 1.00 0.00 C ATOM 1467 NH1 ARG A 90 2.637 -15.792 -0.492 1.00 0.00 N ATOM 1468 NH2 ARG A 90 1.901 -14.037 0.654 1.00 0.00 N ATOM 0 H ARG A 90 -0.798 -11.765 -4.419 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.131 -9.930 -2.577 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.621 -11.436 -0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.245 -12.355 -2.224 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.139 -12.965 -2.830 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.672 -12.159 -1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.710 -13.668 0.025 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.399 -14.411 -1.404 1.00 0.00 H new ATOM 0 HE ARG A 90 0.530 -15.678 -1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.528 -16.492 -1.226 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.478 -15.785 0.085 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.199 -13.322 0.844 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.759 -14.069 1.205 1.00 0.00 H new ATOM 1482 N TYR A 91 0.408 -8.809 -3.390 1.00 0.00 N ATOM 1483 CA TYR A 91 1.526 -7.878 -3.236 1.00 0.00 C ATOM 1484 C TYR A 91 1.314 -6.584 -4.044 1.00 0.00 C ATOM 1485 O TYR A 91 0.860 -6.623 -5.192 1.00 0.00 O ATOM 1486 CB TYR A 91 2.814 -8.574 -3.689 1.00 0.00 C ATOM 1487 CG TYR A 91 3.236 -9.765 -2.855 1.00 0.00 C ATOM 1488 CD1 TYR A 91 4.051 -9.567 -1.727 1.00 0.00 C ATOM 1489 CD2 TYR A 91 2.842 -11.070 -3.218 1.00 0.00 C ATOM 1490 CE1 TYR A 91 4.476 -10.667 -0.959 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.275 -12.175 -2.458 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.101 -11.976 -1.331 1.00 0.00 C ATOM 1493 OH TYR A 91 4.540 -13.043 -0.607 1.00 0.00 O ATOM 0 H TYR A 91 0.064 -8.853 -4.349 1.00 0.00 H new ATOM 0 HA TYR A 91 1.596 -7.594 -2.186 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.686 -8.901 -4.721 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.623 -7.843 -3.684 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.352 -8.568 -1.449 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.208 -11.222 -4.079 1.00 0.00 H new ATOM 0 HE1 TYR A 91 5.090 -10.510 -0.084 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.975 -13.174 -2.738 1.00 0.00 H new ATOM 0 HH TYR A 91 4.668 -12.774 0.327 1.00 0.00 H new ATOM 1503 N PHE A 92 1.685 -5.441 -3.458 1.00 0.00 N ATOM 1504 CA PHE A 92 1.531 -4.099 -4.035 1.00 0.00 C ATOM 1505 C PHE A 92 2.742 -3.214 -3.738 1.00 0.00 C ATOM 1506 O PHE A 92 3.490 -3.480 -2.803 1.00 0.00 O ATOM 1507 CB PHE A 92 0.280 -3.411 -3.467 1.00 0.00 C ATOM 1508 CG PHE A 92 -0.991 -4.201 -3.650 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.735 -4.100 -4.839 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.400 -5.078 -2.634 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.884 -4.892 -5.012 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.558 -5.849 -2.799 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.298 -5.764 -3.992 1.00 0.00 C ATOM 0 H PHE A 92 2.117 -5.423 -2.534 1.00 0.00 H new ATOM 0 HA PHE A 92 1.438 -4.226 -5.114 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.431 -3.226 -2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.164 -2.439 -3.946 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.425 -3.417 -5.616 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.822 -5.159 -1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.449 -4.830 -5.930 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.883 -6.510 -2.009 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.183 -6.368 -4.123 1.00 0.00 H new ATOM 1523 N VAL A 93 2.903 -2.127 -4.485 1.00 0.00 N ATOM 1524 CA VAL A 93 3.828 -1.029 -4.165 1.00 0.00 C ATOM 1525 C VAL A 93 3.030 0.246 -3.918 1.00 0.00 C ATOM 1526 O VAL A 93 2.050 0.478 -4.623 1.00 0.00 O ATOM 1527 CB VAL A 93 4.882 -0.847 -5.274 1.00 0.00 C ATOM 1528 CG1 VAL A 93 5.770 0.389 -5.100 1.00 0.00 C ATOM 1529 CG2 VAL A 93 5.785 -2.078 -5.315 1.00 0.00 C ATOM 0 H VAL A 93 2.386 -1.975 -5.351 1.00 0.00 H new ATOM 0 HA VAL A 93 4.377 -1.273 -3.256 1.00 0.00 H new ATOM 0 HB VAL A 93 4.323 -0.712 -6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.484 0.443 -5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.150 1.285 -5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.309 0.320 -4.155 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.533 -1.955 -6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.283 -2.196 -4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.184 -2.963 -5.523 1.00 0.00 H new ATOM 1539 N ILE A 94 3.430 1.084 -2.958 1.00 0.00 N ATOM 1540 CA ILE A 94 2.807 2.396 -2.738 1.00 0.00 C ATOM 1541 C ILE A 94 3.842 3.511 -2.559 1.00 0.00 C ATOM 1542 O ILE A 94 4.922 3.284 -2.008 1.00 0.00 O ATOM 1543 CB ILE A 94 1.758 2.402 -1.601 1.00 0.00 C ATOM 1544 CG1 ILE A 94 2.299 2.121 -0.178 1.00 0.00 C ATOM 1545 CG2 ILE A 94 0.551 1.504 -1.914 1.00 0.00 C ATOM 1546 CD1 ILE A 94 2.566 0.652 0.187 1.00 0.00 C ATOM 0 H ILE A 94 4.192 0.875 -2.313 1.00 0.00 H new ATOM 0 HA ILE A 94 2.256 2.607 -3.655 1.00 0.00 H new ATOM 0 HB ILE A 94 1.431 3.442 -1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.229 2.676 -0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.587 2.525 0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.156 1.543 -1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.063 1.854 -2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.888 0.477 -2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.941 0.593 1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.640 0.083 0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.307 0.236 -0.496 1.00 0.00 H new ATOM 1558 N ARG A 95 3.503 4.726 -3.012 1.00 0.00 N ATOM 1559 CA ARG A 95 4.365 5.920 -2.889 1.00 0.00 C ATOM 1560 C ARG A 95 4.108 6.654 -1.572 1.00 0.00 C ATOM 1561 O ARG A 95 3.361 7.636 -1.525 1.00 0.00 O ATOM 1562 CB ARG A 95 4.238 6.837 -4.117 1.00 0.00 C ATOM 1563 CG ARG A 95 5.360 7.888 -4.143 1.00 0.00 C ATOM 1564 CD ARG A 95 5.151 8.896 -5.277 1.00 0.00 C ATOM 1565 NE ARG A 95 6.222 9.910 -5.287 1.00 0.00 N ATOM 1566 CZ ARG A 95 6.299 10.980 -6.055 1.00 0.00 C ATOM 1567 NH1 ARG A 95 7.306 11.789 -5.915 1.00 0.00 N ATOM 1568 NH2 ARG A 95 5.400 11.267 -6.953 1.00 0.00 N ATOM 0 H ARG A 95 2.616 4.914 -3.479 1.00 0.00 H new ATOM 0 HA ARG A 95 5.402 5.586 -2.863 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.276 6.238 -5.027 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.269 7.336 -4.103 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.392 8.413 -3.188 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.323 7.392 -4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.131 8.374 -6.233 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.184 9.385 -5.160 1.00 0.00 H new ATOM 0 HE ARG A 95 6.987 9.768 -4.628 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.024 11.593 -5.218 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.378 12.620 -6.502 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.596 10.653 -7.084 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.500 12.106 -7.525 1.00 0.00 H new ATOM 1582 N ILE A 96 4.730 6.181 -0.497 1.00 0.00 N ATOM 1583 CA ILE A 96 4.673 6.852 0.806 1.00 0.00 C ATOM 1584 C ILE A 96 5.318 8.245 0.756 1.00 0.00 C ATOM 1585 O ILE A 96 6.298 8.462 0.040 1.00 0.00 O ATOM 1586 CB ILE A 96 5.245 5.995 1.947 1.00 0.00 C ATOM 1587 CG1 ILE A 96 6.727 5.613 1.734 1.00 0.00 C ATOM 1588 CG2 ILE A 96 4.388 4.744 2.189 1.00 0.00 C ATOM 1589 CD1 ILE A 96 7.483 5.408 3.046 1.00 0.00 C ATOM 0 H ILE A 96 5.286 5.326 -0.499 1.00 0.00 H new ATOM 0 HA ILE A 96 3.616 6.989 1.033 1.00 0.00 H new ATOM 0 HB ILE A 96 5.209 6.619 2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.780 4.698 1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.219 6.395 1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.819 4.159 3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.374 5.043 2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.362 4.140 1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.518 5.142 2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.458 6.329 3.628 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.013 4.607 3.616 1.00 0.00 H new ATOM 1601 N GLN A 97 4.757 9.190 1.511 1.00 0.00 N ATOM 1602 CA GLN A 97 5.190 10.588 1.592 1.00 0.00 C ATOM 1603 C GLN A 97 5.188 11.077 3.045 1.00 0.00 C ATOM 1604 O GLN A 97 4.275 10.793 3.823 1.00 0.00 O ATOM 1605 CB GLN A 97 4.287 11.474 0.715 1.00 0.00 C ATOM 1606 CG GLN A 97 4.654 11.377 -0.776 1.00 0.00 C ATOM 1607 CD GLN A 97 3.457 11.533 -1.707 1.00 0.00 C ATOM 1608 OE1 GLN A 97 3.026 12.630 -2.036 1.00 0.00 O ATOM 1609 NE2 GLN A 97 2.879 10.444 -2.165 1.00 0.00 N ATOM 0 H GLN A 97 3.954 8.995 2.109 1.00 0.00 H new ATOM 0 HA GLN A 97 6.212 10.657 1.219 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.247 11.179 0.852 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.370 12.511 1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.390 12.145 -1.012 1.00 0.00 H new ATOM 0 HG3 GLN A 97 5.127 10.413 -0.964 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.233 9.526 -1.895 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.077 10.517 -2.790 1.00 0.00 H new ATOM 1682 N SER A 103 9.442 11.600 -0.719 1.00 0.00 N ATOM 1683 CA SER A 103 8.696 10.363 -1.006 1.00 0.00 C ATOM 1684 C SER A 103 9.582 9.132 -1.239 1.00 0.00 C ATOM 1685 O SER A 103 10.766 9.256 -1.566 1.00 0.00 O ATOM 1686 CB SER A 103 7.772 10.584 -2.211 1.00 0.00 C ATOM 1687 OG SER A 103 8.484 10.702 -3.434 1.00 0.00 O ATOM 0 HA SER A 103 8.115 10.144 -0.110 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.070 9.753 -2.283 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.182 11.486 -2.050 1.00 0.00 H new ATOM 0 HG SER A 103 9.351 11.128 -3.268 1.00 0.00 H new ATOM 1693 N ALA A 104 8.990 7.943 -1.096 1.00 0.00 N ATOM 1694 CA ALA A 104 9.595 6.657 -1.449 1.00 0.00 C ATOM 1695 C ALA A 104 8.536 5.655 -1.942 1.00 0.00 C ATOM 1696 O ALA A 104 7.416 5.620 -1.431 1.00 0.00 O ATOM 1697 CB ALA A 104 10.353 6.106 -0.232 1.00 0.00 C ATOM 0 H ALA A 104 8.047 7.847 -0.720 1.00 0.00 H new ATOM 0 HA ALA A 104 10.295 6.809 -2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.806 5.148 -0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.133 6.809 0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.659 5.969 0.597 1.00 0.00 H new ATOM 1703 N PHE A 105 8.899 4.805 -2.902 1.00 0.00 N ATOM 1704 CA PHE A 105 8.084 3.663 -3.332 1.00 0.00 C ATOM 1705 C PHE A 105 8.465 2.427 -2.505 1.00 0.00 C ATOM 1706 O PHE A 105 9.599 1.953 -2.608 1.00 0.00 O ATOM 1707 CB PHE A 105 8.273 3.429 -4.839 1.00 0.00 C ATOM 1708 CG PHE A 105 7.547 4.416 -5.738 1.00 0.00 C ATOM 1709 CD1 PHE A 105 8.150 5.631 -6.122 1.00 0.00 C ATOM 1710 CD2 PHE A 105 6.267 4.099 -6.232 1.00 0.00 C ATOM 1711 CE1 PHE A 105 7.485 6.505 -7.003 1.00 0.00 C ATOM 1712 CE2 PHE A 105 5.606 4.964 -7.116 1.00 0.00 C ATOM 1713 CZ PHE A 105 6.218 6.166 -7.508 1.00 0.00 C ATOM 0 H PHE A 105 9.779 4.889 -3.411 1.00 0.00 H new ATOM 0 HA PHE A 105 7.027 3.867 -3.162 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.338 3.469 -5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 105 7.933 2.422 -5.081 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.125 5.892 -5.739 1.00 0.00 H new ATOM 0 HD2 PHE A 105 5.789 3.180 -5.927 1.00 0.00 H new ATOM 0 HE1 PHE A 105 7.949 7.437 -7.291 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.628 4.706 -7.495 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.715 6.829 -8.197 1.00 0.00 H new ATOM 1723 N ILE A 106 7.543 1.913 -1.682 1.00 0.00 N ATOM 1724 CA ILE A 106 7.738 0.716 -0.836 1.00 0.00 C ATOM 1725 C ILE A 106 6.813 -0.421 -1.265 1.00 0.00 C ATOM 1726 O ILE A 106 5.700 -0.168 -1.718 1.00 0.00 O ATOM 1727 CB ILE A 106 7.575 1.010 0.674 1.00 0.00 C ATOM 1728 CG1 ILE A 106 6.136 1.417 1.077 1.00 0.00 C ATOM 1729 CG2 ILE A 106 8.614 2.061 1.088 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.921 1.536 2.592 1.00 0.00 C ATOM 0 H ILE A 106 6.615 2.324 -1.579 1.00 0.00 H new ATOM 0 HA ILE A 106 8.771 0.403 -0.987 1.00 0.00 H new ATOM 0 HB ILE A 106 7.754 0.084 1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.896 2.372 0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.437 0.682 0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.509 2.277 2.151 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.616 1.679 0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.456 2.975 0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.889 1.824 2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.128 0.576 3.065 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.594 2.292 2.997 1.00 0.00 H new ATOM 1742 N GLY A 107 7.255 -1.664 -1.093 1.00 0.00 N ATOM 1743 CA GLY A 107 6.449 -2.857 -1.349 1.00 0.00 C ATOM 1744 C GLY A 107 5.707 -3.294 -0.089 1.00 0.00 C ATOM 1745 O GLY A 107 6.258 -3.198 1.007 1.00 0.00 O ATOM 0 H GLY A 107 8.198 -1.875 -0.767 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.733 -2.653 -2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.091 -3.666 -1.697 1.00 0.00 H new ATOM 1749 N ILE A 108 4.483 -3.797 -0.240 1.00 0.00 N ATOM 1750 CA ILE A 108 3.708 -4.473 0.805 1.00 0.00 C ATOM 1751 C ILE A 108 3.192 -5.831 0.325 1.00 0.00 C ATOM 1752 O ILE A 108 2.820 -5.989 -0.838 1.00 0.00 O ATOM 1753 CB ILE A 108 2.563 -3.610 1.384 1.00 0.00 C ATOM 1754 CG1 ILE A 108 1.538 -3.129 0.333 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.160 -2.447 2.184 1.00 0.00 C ATOM 1756 CD1 ILE A 108 0.287 -2.480 0.950 1.00 0.00 C ATOM 0 H ILE A 108 3.982 -3.744 -1.127 1.00 0.00 H new ATOM 0 HA ILE A 108 4.402 -4.639 1.629 1.00 0.00 H new ATOM 0 HB ILE A 108 1.981 -4.249 2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.020 -2.412 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.233 -3.977 -0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.355 -1.836 2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.768 -2.840 2.999 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.782 -1.836 1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.389 -2.166 0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.218 -3.202 1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.581 -1.612 1.540 1.00 0.00 H new ATOM 1768 N GLY A 109 3.155 -6.809 1.230 1.00 0.00 N ATOM 1769 CA GLY A 109 2.619 -8.150 0.992 1.00 0.00 C ATOM 1770 C GLY A 109 1.613 -8.586 2.053 1.00 0.00 C ATOM 1771 O GLY A 109 1.812 -8.351 3.249 1.00 0.00 O ATOM 0 H GLY A 109 3.508 -6.686 2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.141 -8.176 0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.442 -8.865 0.964 1.00 0.00 H new ATOM 1775 N PHE A 110 0.545 -9.245 1.601 1.00 0.00 N ATOM 1776 CA PHE A 110 -0.512 -9.831 2.426 1.00 0.00 C ATOM 1777 C PHE A 110 -0.331 -11.346 2.577 1.00 0.00 C ATOM 1778 O PHE A 110 0.272 -12.009 1.730 1.00 0.00 O ATOM 1779 CB PHE A 110 -1.883 -9.502 1.817 1.00 0.00 C ATOM 1780 CG PHE A 110 -2.248 -8.035 1.889 1.00 0.00 C ATOM 1781 CD1 PHE A 110 -2.933 -7.543 3.015 1.00 0.00 C ATOM 1782 CD2 PHE A 110 -1.888 -7.160 0.846 1.00 0.00 C ATOM 1783 CE1 PHE A 110 -3.269 -6.180 3.093 1.00 0.00 C ATOM 1784 CE2 PHE A 110 -2.232 -5.800 0.925 1.00 0.00 C ATOM 1785 CZ PHE A 110 -2.928 -5.314 2.040 1.00 0.00 C ATOM 0 H PHE A 110 0.386 -9.391 0.604 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.451 -9.398 3.425 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.892 -9.818 0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.648 -10.083 2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -3.201 -8.212 3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.349 -7.533 -0.012 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -3.788 -5.799 3.960 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.959 -5.128 0.125 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.203 -4.271 2.090 1.00 0.00 H new ATOM 1795 N THR A 111 -0.908 -11.913 3.638 1.00 0.00 N ATOM 1796 CA THR A 111 -0.859 -13.359 3.927 1.00 0.00 C ATOM 1797 C THR A 111 -1.759 -14.183 2.996 1.00 0.00 C ATOM 1798 O THR A 111 -1.546 -15.384 2.819 1.00 0.00 O ATOM 1799 CB THR A 111 -1.204 -13.593 5.410 1.00 0.00 C ATOM 1800 OG1 THR A 111 -0.834 -14.890 5.833 1.00 0.00 O ATOM 1801 CG2 THR A 111 -2.686 -13.400 5.752 1.00 0.00 C ATOM 0 H THR A 111 -1.430 -11.380 4.333 1.00 0.00 H new ATOM 0 HA THR A 111 0.155 -13.709 3.734 1.00 0.00 H new ATOM 0 HB THR A 111 -0.630 -12.830 5.935 1.00 0.00 H new ATOM 0 HG1 THR A 111 -1.066 -15.004 6.778 1.00 0.00 H new ATOM 0 HG21 THR A 111 -2.841 -13.584 6.815 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.985 -12.379 5.513 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.287 -14.099 5.171 1.00 0.00 H new ATOM 1809 N ASP A 112 -2.749 -13.541 2.364 1.00 0.00 N ATOM 1810 CA ASP A 112 -3.745 -14.189 1.508 1.00 0.00 C ATOM 1811 C ASP A 112 -4.284 -13.234 0.429 1.00 0.00 C ATOM 1812 O ASP A 112 -4.395 -12.021 0.637 1.00 0.00 O ATOM 1813 CB ASP A 112 -4.890 -14.739 2.375 1.00 0.00 C ATOM 1814 CG ASP A 112 -5.847 -15.620 1.558 1.00 0.00 C ATOM 1815 OD1 ASP A 112 -6.856 -15.093 1.039 1.00 0.00 O ATOM 1816 OD2 ASP A 112 -5.565 -16.832 1.398 1.00 0.00 O ATOM 0 H ASP A 112 -2.881 -12.532 2.437 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.260 -15.014 0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.476 -15.319 3.200 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.444 -13.910 2.815 1.00 0.00 H new ATOM 1821 N ARG A 113 -4.648 -13.794 -0.730 1.00 0.00 N ATOM 1822 CA ARG A 113 -5.173 -13.055 -1.886 1.00 0.00 C ATOM 1823 C ARG A 113 -6.504 -12.347 -1.606 1.00 0.00 C ATOM 1824 O ARG A 113 -6.725 -11.265 -2.141 1.00 0.00 O ATOM 1825 CB ARG A 113 -5.276 -14.038 -3.062 1.00 0.00 C ATOM 1826 CG ARG A 113 -5.516 -13.321 -4.394 1.00 0.00 C ATOM 1827 CD ARG A 113 -5.426 -14.325 -5.554 1.00 0.00 C ATOM 1828 NE ARG A 113 -5.377 -13.652 -6.867 1.00 0.00 N ATOM 1829 CZ ARG A 113 -6.318 -13.573 -7.789 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -6.052 -12.954 -8.900 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -7.506 -14.086 -7.637 1.00 0.00 N ATOM 0 H ARG A 113 -4.584 -14.799 -0.895 1.00 0.00 H new ATOM 0 HA ARG A 113 -4.486 -12.245 -2.129 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -4.359 -14.623 -3.126 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -6.089 -14.740 -2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -6.497 -12.845 -4.389 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -4.779 -12.530 -4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -4.537 -14.943 -5.430 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -6.286 -14.994 -5.522 1.00 0.00 H new ATOM 0 HE ARG A 113 -4.498 -13.186 -7.092 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -5.131 -12.541 -9.046 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -6.764 -12.881 -9.626 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -7.743 -14.576 -6.774 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.199 -13.998 -8.381 1.00 0.00 H new ATOM 1845 N GLY A 114 -7.356 -12.891 -0.737 1.00 0.00 N ATOM 1846 CA GLY A 114 -8.621 -12.260 -0.339 1.00 0.00 C ATOM 1847 C GLY A 114 -8.435 -10.961 0.459 1.00 0.00 C ATOM 1848 O GLY A 114 -9.222 -10.025 0.313 1.00 0.00 O ATOM 0 H GLY A 114 -7.189 -13.789 -0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.208 -12.047 -1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.197 -12.965 0.260 1.00 0.00 H new ATOM 1852 N ASP A 115 -7.358 -10.859 1.244 1.00 0.00 N ATOM 1853 CA ASP A 115 -7.050 -9.650 2.029 1.00 0.00 C ATOM 1854 C ASP A 115 -6.434 -8.552 1.149 1.00 0.00 C ATOM 1855 O ASP A 115 -6.754 -7.371 1.297 1.00 0.00 O ATOM 1856 CB ASP A 115 -6.134 -9.998 3.212 1.00 0.00 C ATOM 1857 CG ASP A 115 -6.838 -10.870 4.264 1.00 0.00 C ATOM 1858 OD1 ASP A 115 -6.272 -11.910 4.672 1.00 0.00 O ATOM 1859 OD2 ASP A 115 -7.949 -10.494 4.708 1.00 0.00 O ATOM 0 H ASP A 115 -6.674 -11.608 1.356 1.00 0.00 H new ATOM 0 HA ASP A 115 -7.985 -9.256 2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.252 -10.521 2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.786 -9.078 3.681 1.00 0.00 H new ATOM 1864 N ALA A 116 -5.628 -8.953 0.166 1.00 0.00 N ATOM 1865 CA ALA A 116 -5.155 -8.083 -0.905 1.00 0.00 C ATOM 1866 C ALA A 116 -6.282 -7.600 -1.837 1.00 0.00 C ATOM 1867 O ALA A 116 -6.293 -6.438 -2.245 1.00 0.00 O ATOM 1868 CB ALA A 116 -4.113 -8.881 -1.672 1.00 0.00 C ATOM 0 H ALA A 116 -5.281 -9.909 0.092 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.736 -7.170 -0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.722 -8.277 -2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.298 -9.155 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.571 -9.785 -2.075 1.00 0.00 H new ATOM 1874 N PHE A 117 -7.269 -8.452 -2.129 1.00 0.00 N ATOM 1875 CA PHE A 117 -8.471 -8.036 -2.854 1.00 0.00 C ATOM 1876 C PHE A 117 -9.269 -6.995 -2.057 1.00 0.00 C ATOM 1877 O PHE A 117 -9.689 -5.997 -2.637 1.00 0.00 O ATOM 1878 CB PHE A 117 -9.320 -9.252 -3.258 1.00 0.00 C ATOM 1879 CG PHE A 117 -9.034 -9.760 -4.664 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.718 -10.061 -5.071 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -10.090 -9.899 -5.587 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -7.460 -10.483 -6.386 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -9.833 -10.327 -6.903 1.00 0.00 C ATOM 1884 CZ PHE A 117 -8.517 -10.615 -7.304 1.00 0.00 C ATOM 0 H PHE A 117 -7.258 -9.439 -1.872 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.162 -7.548 -3.778 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.144 -10.059 -2.547 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.375 -8.988 -3.185 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.904 -9.967 -4.368 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -11.102 -9.676 -5.283 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -6.449 -10.706 -6.692 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -10.647 -10.434 -7.605 1.00 0.00 H new ATOM 0 HZ PHE A 117 -8.318 -10.937 -8.315 1.00 0.00 H new ATOM 1894 N ASP A 118 -9.403 -7.137 -0.733 1.00 0.00 N ATOM 1895 CA ASP A 118 -10.014 -6.092 0.102 1.00 0.00 C ATOM 1896 C ASP A 118 -9.219 -4.771 0.072 1.00 0.00 C ATOM 1897 O ASP A 118 -9.834 -3.706 0.015 1.00 0.00 O ATOM 1898 CB ASP A 118 -10.210 -6.585 1.546 1.00 0.00 C ATOM 1899 CG ASP A 118 -11.374 -7.578 1.720 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -11.308 -8.389 2.676 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -12.381 -7.511 0.976 1.00 0.00 O ATOM 0 H ASP A 118 -9.098 -7.962 -0.217 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.994 -5.879 -0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -9.289 -7.059 1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -10.382 -5.724 2.192 1.00 0.00 H new ATOM 1906 N PHE A 119 -7.879 -4.810 0.023 1.00 0.00 N ATOM 1907 CA PHE A 119 -7.038 -3.623 -0.197 1.00 0.00 C ATOM 1908 C PHE A 119 -7.387 -2.904 -1.514 1.00 0.00 C ATOM 1909 O PHE A 119 -7.751 -1.724 -1.492 1.00 0.00 O ATOM 1910 CB PHE A 119 -5.547 -4.007 -0.102 1.00 0.00 C ATOM 1911 CG PHE A 119 -4.571 -2.944 -0.576 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -4.024 -2.034 0.341 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -4.207 -2.856 -1.935 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -3.166 -1.013 -0.094 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -3.342 -1.838 -2.373 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.823 -0.911 -1.453 1.00 0.00 C ATOM 0 H PHE A 119 -7.345 -5.672 0.136 1.00 0.00 H new ATOM 0 HA PHE A 119 -7.245 -2.901 0.593 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.317 -4.251 0.935 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.384 -4.913 -0.686 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.265 -2.120 1.390 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.594 -3.574 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.768 -0.304 0.617 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.076 -1.768 -3.417 1.00 0.00 H new ATOM 0 HZ PHE A 119 -2.164 -0.124 -1.789 1.00 0.00 H new ATOM 1926 N ASN A 120 -7.342 -3.594 -2.662 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.583 -2.937 -3.957 1.00 0.00 C ATOM 1928 C ASN A 120 -9.061 -2.617 -4.252 1.00 0.00 C ATOM 1929 O ASN A 120 -9.349 -1.697 -5.025 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.897 -3.699 -5.108 1.00 0.00 C ATOM 1931 CG ASN A 120 -7.390 -5.112 -5.390 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -6.663 -6.084 -5.259 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.607 -5.288 -5.855 1.00 0.00 N ATOM 0 H ASN A 120 -7.144 -4.593 -2.723 1.00 0.00 H new ATOM 0 HA ASN A 120 -7.114 -1.956 -3.879 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -7.012 -3.112 -6.019 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -5.830 -3.749 -4.893 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.929 -6.224 -6.099 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -9.229 -4.488 -5.971 1.00 0.00 H new ATOM 1940 N VAL A 121 -10.013 -3.338 -3.654 1.00 0.00 N ATOM 1941 CA VAL A 121 -11.449 -3.024 -3.756 1.00 0.00 C ATOM 1942 C VAL A 121 -11.801 -1.806 -2.897 1.00 0.00 C ATOM 1943 O VAL A 121 -12.551 -0.943 -3.350 1.00 0.00 O ATOM 1944 CB VAL A 121 -12.318 -4.252 -3.413 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -13.806 -3.916 -3.245 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -12.224 -5.297 -4.535 1.00 0.00 C ATOM 0 H VAL A 121 -9.814 -4.159 -3.083 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.670 -2.764 -4.791 1.00 0.00 H new ATOM 0 HB VAL A 121 -11.930 -4.628 -2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -14.359 -4.824 -3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -13.927 -3.193 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -14.190 -3.492 -4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -12.841 -6.159 -4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -12.576 -4.860 -5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -11.188 -5.614 -4.651 1.00 0.00 H new ATOM 1956 N SER A 122 -11.210 -1.670 -1.705 1.00 0.00 N ATOM 1957 CA SER A 122 -11.407 -0.503 -0.832 1.00 0.00 C ATOM 1958 C SER A 122 -11.025 0.819 -1.520 1.00 0.00 C ATOM 1959 O SER A 122 -11.743 1.813 -1.396 1.00 0.00 O ATOM 1960 CB SER A 122 -10.581 -0.699 0.441 1.00 0.00 C ATOM 1961 OG SER A 122 -10.753 0.380 1.335 1.00 0.00 O ATOM 0 H SER A 122 -10.578 -2.369 -1.315 1.00 0.00 H new ATOM 0 HA SER A 122 -12.468 -0.431 -0.592 1.00 0.00 H new ATOM 0 HB2 SER A 122 -10.875 -1.628 0.928 1.00 0.00 H new ATOM 0 HB3 SER A 122 -9.527 -0.795 0.182 1.00 0.00 H new ATOM 0 HG SER A 122 -10.006 0.401 1.969 1.00 0.00 H new ATOM 1967 N LEU A 123 -9.947 0.815 -2.317 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.515 1.978 -3.098 1.00 0.00 C ATOM 1969 C LEU A 123 -10.463 2.280 -4.271 1.00 0.00 C ATOM 1970 O LEU A 123 -10.962 3.401 -4.383 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.065 1.772 -3.573 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.021 1.711 -2.440 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -5.659 1.338 -3.023 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -6.883 3.046 -1.703 1.00 0.00 C ATOM 0 H LEU A 123 -9.348 -0.002 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.552 2.855 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.013 0.847 -4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.800 2.584 -4.250 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.363 0.961 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -4.920 1.295 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.725 0.364 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -5.358 2.088 -3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.136 2.951 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.573 3.819 -2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.842 3.320 -1.263 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.772 1.298 -5.127 1.00 0.00 N ATOM 1987 CA GLN A 124 -11.614 1.546 -6.311 1.00 0.00 C ATOM 1988 C GLN A 124 -13.072 1.892 -5.953 1.00 0.00 C ATOM 1989 O GLN A 124 -13.715 2.668 -6.660 1.00 0.00 O ATOM 1990 CB GLN A 124 -11.497 0.375 -7.302 1.00 0.00 C ATOM 1991 CG GLN A 124 -12.326 -0.859 -6.933 1.00 0.00 C ATOM 1992 CD GLN A 124 -11.889 -2.088 -7.727 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -12.570 -2.563 -8.626 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -10.728 -2.638 -7.435 1.00 0.00 N ATOM 0 H GLN A 124 -10.457 0.333 -5.027 1.00 0.00 H new ATOM 0 HA GLN A 124 -11.235 2.439 -6.807 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.803 0.720 -8.289 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.449 0.083 -7.377 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.226 -1.060 -5.866 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -13.381 -0.659 -7.122 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.153 -2.249 -6.687 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -10.404 -3.452 -7.957 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.578 1.398 -4.818 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.909 1.717 -4.292 1.00 0.00 C ATOM 2005 C ASP A 125 -14.930 3.029 -3.478 1.00 0.00 C ATOM 2006 O ASP A 125 -15.992 3.462 -3.025 1.00 0.00 O ATOM 2007 CB ASP A 125 -15.449 0.517 -3.496 1.00 0.00 C ATOM 2008 CG ASP A 125 -16.937 0.658 -3.131 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -17.750 1.026 -4.016 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -17.309 0.375 -1.968 1.00 0.00 O ATOM 0 H ASP A 125 -13.060 0.749 -4.225 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.576 1.899 -5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.309 -0.392 -4.080 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -14.866 0.402 -2.582 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.786 3.713 -3.342 1.00 0.00 N ATOM 2016 CA HIS A 126 -13.754 5.126 -2.956 1.00 0.00 C ATOM 2017 C HIS A 126 -13.815 6.060 -4.167 1.00 0.00 C ATOM 2018 O HIS A 126 -14.520 7.063 -4.123 1.00 0.00 O ATOM 2019 CB HIS A 126 -12.535 5.437 -2.079 1.00 0.00 C ATOM 2020 CG HIS A 126 -12.580 6.859 -1.568 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -13.470 7.333 -0.600 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.875 7.913 -2.075 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -13.287 8.663 -0.552 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -12.332 9.036 -1.420 1.00 0.00 N ATOM 0 H HIS A 126 -12.864 3.304 -3.496 1.00 0.00 H new ATOM 0 HA HIS A 126 -14.651 5.311 -2.365 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -12.503 4.746 -1.237 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.621 5.282 -2.653 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.111 7.874 -2.838 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -13.831 9.337 0.093 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -12.001 9.989 -1.569 1.00 0.00 H new ATOM 2032 N PHE A 127 -13.124 5.732 -5.262 1.00 0.00 N ATOM 2033 CA PHE A 127 -12.987 6.623 -6.423 1.00 0.00 C ATOM 2034 C PHE A 127 -14.043 6.441 -7.526 1.00 0.00 C ATOM 2035 O PHE A 127 -14.040 7.216 -8.485 1.00 0.00 O ATOM 2036 CB PHE A 127 -11.555 6.537 -6.967 1.00 0.00 C ATOM 2037 CG PHE A 127 -10.518 7.125 -6.030 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -9.612 6.287 -5.357 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -10.452 8.517 -5.837 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -8.608 6.833 -4.540 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -9.456 9.067 -5.010 1.00 0.00 C ATOM 2042 CZ PHE A 127 -8.525 8.228 -4.377 1.00 0.00 C ATOM 0 H PHE A 127 -12.642 4.840 -5.371 1.00 0.00 H new ATOM 0 HA PHE A 127 -13.185 7.631 -6.059 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -11.309 5.493 -7.159 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -11.506 7.057 -7.924 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -9.688 5.216 -5.469 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -11.167 9.164 -6.324 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -7.903 6.185 -4.040 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -9.407 10.136 -4.862 1.00 0.00 H new ATOM 0 HZ PHE A 127 -7.744 8.654 -3.764 1.00 0.00 H new ATOM 2052 N LYS A 128 -14.983 5.489 -7.407 1.00 0.00 N ATOM 2053 CA LYS A 128 -15.996 5.216 -8.453 1.00 0.00 C ATOM 2054 C LYS A 128 -16.832 6.431 -8.887 1.00 0.00 C ATOM 2055 O LYS A 128 -17.229 6.512 -10.049 1.00 0.00 O ATOM 2056 CB LYS A 128 -16.881 4.001 -8.111 1.00 0.00 C ATOM 2057 CG LYS A 128 -18.022 4.233 -7.106 1.00 0.00 C ATOM 2058 CD LYS A 128 -17.513 4.446 -5.679 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.648 4.555 -4.658 1.00 0.00 C ATOM 2060 NZ LYS A 128 -19.351 3.261 -4.452 1.00 0.00 N ATOM 0 H LYS A 128 -15.066 4.886 -6.588 1.00 0.00 H new ATOM 0 HA LYS A 128 -15.405 4.962 -9.333 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -17.316 3.626 -9.038 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.238 3.213 -7.719 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -18.602 5.103 -7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -18.697 3.377 -7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -16.860 3.618 -5.403 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.910 5.353 -5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.245 4.902 -3.707 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.364 5.305 -4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -19.967 3.330 -3.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -19.926 3.041 -5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -18.652 2.506 -4.305 1.00 0.00 H new