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 -162:sc= 0.367 USER MOD Set 1.2: A 126 HIS : no HD1:sc= 0.972 K(o=1.3,f=-2.5!) USER MOD Set 2.1: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 71 GLN : amide:sc= 0.476 X(o=0.48,f=-0.015) USER MOD Set 3.1: A 44 THR OG1 : rot -176:sc= 0.922 USER MOD Set 3.2: A 63 LYS NZ :NH3+ -143:sc= 1.07 (180deg=0) USER MOD Set 4.1: A 9 SER OG : rot 180:sc= 1.06 USER MOD Set 4.2: A 52 LYS NZ :NH3+ -119:sc= 1.19 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.951 USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= 2.44 (180deg=2.31) USER MOD Single : A 18 SER OG : rot 180:sc=-0.000107 USER MOD Single : A 20 TYR OH : rot 30: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+ 158:sc= 0.844 (180deg=0.463) USER MOD Single : A 40 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.54) USER MOD Single : A 50 THR OG1 : rot 45:sc= 1.13 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 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot 180: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 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 166:sc= 0.48 USER MOD Single : A 97 GLN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 103 SER OG : rot -32:sc= 0.674 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.335 K(o=-0.34,f=-6.2!) USER MOD Single : A 122 SER OG : rot 79:sc= 1.1 USER MOD Single : A 124 GLN : amide:sc= 0.751 K(o=0.75,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 175:sc= 1.93 (180deg=1.91) USER MOD ----------------------------------------------------------------- ATOM 186 N SER A 9 -11.597 9.145 6.974 1.00 0.00 N ATOM 187 CA SER A 9 -12.697 8.195 6.738 1.00 0.00 C ATOM 188 C SER A 9 -12.136 6.830 6.353 1.00 0.00 C ATOM 189 O SER A 9 -11.563 6.671 5.278 1.00 0.00 O ATOM 190 CB SER A 9 -13.646 8.695 5.648 1.00 0.00 C ATOM 191 OG SER A 9 -14.511 9.683 6.180 1.00 0.00 O ATOM 0 HA SER A 9 -13.266 8.106 7.664 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.074 9.109 4.817 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.229 7.864 5.251 1.00 0.00 H new ATOM 0 HG SER A 9 -15.116 10.001 5.477 1.00 0.00 H new ATOM 197 N VAL A 10 -12.272 5.851 7.246 1.00 0.00 N ATOM 198 CA VAL A 10 -11.745 4.479 7.084 1.00 0.00 C ATOM 199 C VAL A 10 -12.505 3.693 6.007 1.00 0.00 C ATOM 200 O VAL A 10 -13.705 3.888 5.804 1.00 0.00 O ATOM 201 CB VAL A 10 -11.749 3.733 8.439 1.00 0.00 C ATOM 202 CG1 VAL A 10 -10.945 2.430 8.377 1.00 0.00 C ATOM 203 CG2 VAL A 10 -11.154 4.594 9.566 1.00 0.00 C ATOM 0 H VAL A 10 -12.764 5.985 8.130 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.713 4.559 6.741 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.796 3.513 8.649 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.974 1.938 9.349 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.377 1.771 7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.911 2.653 8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -11.175 4.034 10.501 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.124 4.853 9.321 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.741 5.506 9.676 1.00 0.00 H new ATOM 213 N LEU A 11 -11.788 2.802 5.314 1.00 0.00 N ATOM 214 CA LEU A 11 -12.256 2.034 4.153 1.00 0.00 C ATOM 215 C LEU A 11 -11.903 0.545 4.299 1.00 0.00 C ATOM 216 O LEU A 11 -12.721 -0.318 3.980 1.00 0.00 O ATOM 217 CB LEU A 11 -11.620 2.615 2.870 1.00 0.00 C ATOM 218 CG LEU A 11 -12.002 4.069 2.529 1.00 0.00 C ATOM 219 CD1 LEU A 11 -11.174 4.557 1.340 1.00 0.00 C ATOM 220 CD2 LEU A 11 -13.481 4.206 2.162 1.00 0.00 C ATOM 0 H LEU A 11 -10.821 2.586 5.558 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.341 2.113 4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.536 2.558 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.899 1.980 2.029 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.804 4.666 3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.448 5.585 1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.114 4.513 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.368 3.922 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.703 5.248 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.699 3.586 1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.096 3.882 3.002 1.00 0.00 H new ATOM 232 N CYS A 12 -10.706 0.249 4.820 1.00 0.00 N ATOM 233 CA CYS A 12 -10.237 -1.102 5.131 1.00 0.00 C ATOM 234 C CYS A 12 -9.240 -1.079 6.292 1.00 0.00 C ATOM 235 O CYS A 12 -8.462 -0.138 6.433 1.00 0.00 O ATOM 236 CB CYS A 12 -9.601 -1.703 3.873 1.00 0.00 C ATOM 237 SG CYS A 12 -9.431 -3.498 4.033 1.00 0.00 S ATOM 0 H CYS A 12 -10.017 0.968 5.043 1.00 0.00 H new ATOM 0 HA CYS A 12 -11.080 -1.719 5.442 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.213 -1.467 3.003 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.622 -1.254 3.705 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.892 -3.981 2.953 1.00 0.00 H new ATOM 243 N VAL A 13 -9.244 -2.131 7.105 1.00 0.00 N ATOM 244 CA VAL A 13 -8.256 -2.388 8.168 1.00 0.00 C ATOM 245 C VAL A 13 -7.917 -3.881 8.194 1.00 0.00 C ATOM 246 O VAL A 13 -8.820 -4.704 8.354 1.00 0.00 O ATOM 247 CB VAL A 13 -8.773 -1.911 9.547 1.00 0.00 C ATOM 248 CG1 VAL A 13 -7.764 -2.184 10.672 1.00 0.00 C ATOM 249 CG2 VAL A 13 -9.065 -0.403 9.558 1.00 0.00 C ATOM 0 H VAL A 13 -9.957 -2.858 7.046 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.352 -1.819 7.953 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.688 -2.478 9.720 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.172 -1.832 11.620 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.571 -3.255 10.736 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.832 -1.659 10.460 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.426 -0.109 10.544 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.152 0.146 9.327 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.825 -0.174 8.811 1.00 0.00 H new ATOM 259 N LYS A 14 -6.628 -4.237 8.053 1.00 0.00 N ATOM 260 CA LYS A 14 -6.113 -5.620 8.157 1.00 0.00 C ATOM 261 C LYS A 14 -5.108 -5.752 9.313 1.00 0.00 C ATOM 262 O LYS A 14 -4.267 -4.866 9.491 1.00 0.00 O ATOM 263 CB LYS A 14 -5.480 -6.137 6.841 1.00 0.00 C ATOM 264 CG LYS A 14 -6.397 -6.985 5.943 1.00 0.00 C ATOM 265 CD LYS A 14 -7.638 -6.212 5.493 1.00 0.00 C ATOM 266 CE LYS A 14 -8.381 -6.864 4.321 1.00 0.00 C ATOM 267 NZ LYS A 14 -9.190 -8.039 4.728 1.00 0.00 N ATOM 0 H LYS A 14 -5.894 -3.556 7.859 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.981 -6.246 8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.133 -5.279 6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.600 -6.730 7.092 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.840 -7.316 5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.704 -7.881 6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.321 -6.117 6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.342 -5.203 5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.033 -6.125 3.855 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.658 -7.172 3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.857 -8.281 3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.561 -8.848 4.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.719 -7.813 5.594 1.00 0.00 H new ATOM 281 N PRO A 15 -5.139 -6.874 10.057 1.00 0.00 N ATOM 282 CA PRO A 15 -4.231 -7.131 11.175 1.00 0.00 C ATOM 283 C PRO A 15 -2.795 -7.477 10.762 1.00 0.00 C ATOM 284 O PRO A 15 -1.899 -7.387 11.600 1.00 0.00 O ATOM 285 CB PRO A 15 -4.844 -8.318 11.919 1.00 0.00 C ATOM 286 CG PRO A 15 -5.594 -9.073 10.823 1.00 0.00 C ATOM 287 CD PRO A 15 -6.109 -7.954 9.936 1.00 0.00 C ATOM 0 HA PRO A 15 -4.138 -6.225 11.774 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.079 -8.940 12.384 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.515 -7.991 12.713 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.938 -9.752 10.278 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.408 -9.674 11.230 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.199 -8.285 8.901 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.099 -7.628 10.253 1.00 0.00 H new ATOM 295 N ASP A 16 -2.559 -7.899 9.517 1.00 0.00 N ATOM 296 CA ASP A 16 -1.261 -8.413 9.066 1.00 0.00 C ATOM 297 C ASP A 16 -0.848 -7.791 7.727 1.00 0.00 C ATOM 298 O ASP A 16 -1.428 -8.084 6.677 1.00 0.00 O ATOM 299 CB ASP A 16 -1.307 -9.947 8.967 1.00 0.00 C ATOM 300 CG ASP A 16 -1.301 -10.620 10.349 1.00 0.00 C ATOM 301 OD1 ASP A 16 -0.217 -10.693 10.977 1.00 0.00 O ATOM 302 OD2 ASP A 16 -2.365 -11.110 10.797 1.00 0.00 O ATOM 0 H ASP A 16 -3.270 -7.894 8.786 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.508 -8.131 9.802 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.202 -10.247 8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.451 -10.298 8.391 1.00 0.00 H new ATOM 307 N VAL A 17 0.189 -6.952 7.773 1.00 0.00 N ATOM 308 CA VAL A 17 0.892 -6.416 6.596 1.00 0.00 C ATOM 309 C VAL A 17 2.398 -6.313 6.863 1.00 0.00 C ATOM 310 O VAL A 17 2.826 -5.990 7.978 1.00 0.00 O ATOM 311 CB VAL A 17 0.269 -5.080 6.126 1.00 0.00 C ATOM 312 CG1 VAL A 17 0.452 -3.928 7.120 1.00 0.00 C ATOM 313 CG2 VAL A 17 0.811 -4.635 4.765 1.00 0.00 C ATOM 0 H VAL A 17 0.577 -6.614 8.654 1.00 0.00 H new ATOM 0 HA VAL A 17 0.766 -7.115 5.769 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.796 -5.298 6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.011 -3.026 6.720 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.018 -4.188 8.068 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.516 -3.750 7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.344 -3.693 4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.891 -4.500 4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.585 -5.395 4.017 1.00 0.00 H new ATOM 323 N SER A 18 3.201 -6.593 5.838 1.00 0.00 N ATOM 324 CA SER A 18 4.669 -6.660 5.918 1.00 0.00 C ATOM 325 C SER A 18 5.316 -5.785 4.846 1.00 0.00 C ATOM 326 O SER A 18 4.946 -5.893 3.680 1.00 0.00 O ATOM 327 CB SER A 18 5.142 -8.108 5.740 1.00 0.00 C ATOM 328 OG SER A 18 4.532 -8.973 6.688 1.00 0.00 O ATOM 0 H SER A 18 2.845 -6.785 4.902 1.00 0.00 H new ATOM 0 HA SER A 18 4.968 -6.293 6.900 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.907 -8.448 4.731 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.226 -8.154 5.848 1.00 0.00 H new ATOM 0 HG SER A 18 4.852 -9.889 6.548 1.00 0.00 H new ATOM 334 N VAL A 19 6.275 -4.933 5.224 1.00 0.00 N ATOM 335 CA VAL A 19 6.983 -4.005 4.323 1.00 0.00 C ATOM 336 C VAL A 19 8.317 -4.564 3.868 1.00 0.00 C ATOM 337 O VAL A 19 9.117 -5.043 4.673 1.00 0.00 O ATOM 338 CB VAL A 19 7.181 -2.613 4.955 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.058 -1.672 4.109 1.00 0.00 C ATOM 340 CG2 VAL A 19 5.834 -1.914 5.134 1.00 0.00 C ATOM 0 H VAL A 19 6.592 -4.865 6.191 1.00 0.00 H new ATOM 0 HA VAL A 19 6.343 -3.890 3.449 1.00 0.00 H new ATOM 0 HB VAL A 19 7.678 -2.800 5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.154 -0.711 4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.046 -2.114 3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.596 -1.524 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.990 -0.932 5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.352 -1.798 4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.197 -2.512 5.786 1.00 0.00 H new ATOM 350 N TYR A 20 8.589 -4.392 2.579 1.00 0.00 N ATOM 351 CA TYR A 20 9.889 -4.615 1.968 1.00 0.00 C ATOM 352 C TYR A 20 10.258 -3.407 1.104 1.00 0.00 C ATOM 353 O TYR A 20 9.511 -3.011 0.207 1.00 0.00 O ATOM 354 CB TYR A 20 9.902 -5.914 1.141 1.00 0.00 C ATOM 355 CG TYR A 20 8.836 -6.941 1.481 1.00 0.00 C ATOM 356 CD1 TYR A 20 9.053 -7.883 2.502 1.00 0.00 C ATOM 357 CD2 TYR A 20 7.616 -6.932 0.782 1.00 0.00 C ATOM 358 CE1 TYR A 20 8.054 -8.823 2.821 1.00 0.00 C ATOM 359 CE2 TYR A 20 6.614 -7.869 1.096 1.00 0.00 C ATOM 360 CZ TYR A 20 6.829 -8.816 2.120 1.00 0.00 C ATOM 361 OH TYR A 20 5.861 -9.727 2.415 1.00 0.00 O ATOM 0 H TYR A 20 7.884 -4.083 1.910 1.00 0.00 H new ATOM 0 HA TYR A 20 10.634 -4.730 2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.799 -5.650 0.088 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.879 -6.384 1.258 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.988 -7.886 3.043 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.447 -6.204 0.002 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.225 -9.549 3.602 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.680 -7.863 0.553 1.00 0.00 H new ATOM 0 HH TYR A 20 5.923 -9.976 3.361 1.00 0.00 H new ATOM 371 N ARG A 21 11.438 -2.838 1.338 1.00 0.00 N ATOM 372 CA ARG A 21 12.104 -1.949 0.373 1.00 0.00 C ATOM 373 C ARG A 21 12.430 -2.734 -0.902 1.00 0.00 C ATOM 374 O ARG A 21 12.954 -3.848 -0.835 1.00 0.00 O ATOM 375 CB ARG A 21 13.359 -1.320 0.998 1.00 0.00 C ATOM 376 CG ARG A 21 12.981 -0.249 2.033 1.00 0.00 C ATOM 377 CD ARG A 21 14.224 0.405 2.642 1.00 0.00 C ATOM 378 NE ARG A 21 14.887 -0.482 3.618 1.00 0.00 N ATOM 379 CZ ARG A 21 15.954 -0.217 4.346 1.00 0.00 C ATOM 380 NH1 ARG A 21 16.334 -1.085 5.233 1.00 0.00 N ATOM 381 NH2 ARG A 21 16.641 0.883 4.219 1.00 0.00 N ATOM 0 H ARG A 21 11.965 -2.977 2.201 1.00 0.00 H new ATOM 0 HA ARG A 21 11.436 -1.130 0.106 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.960 -2.095 1.474 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.975 -0.874 0.217 1.00 0.00 H new ATOM 0 HG2 ARG A 21 12.362 0.513 1.560 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.382 -0.701 2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.926 0.661 1.848 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.942 1.337 3.131 1.00 0.00 H new ATOM 0 HE ARG A 21 14.472 -1.405 3.744 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.810 -1.951 5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 21 17.157 -0.901 5.807 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.360 1.584 3.533 1.00 0.00 H new ATOM 0 HH22 ARG A 21 17.460 1.043 4.805 1.00 0.00 H new ATOM 395 N ILE A 22 12.084 -2.163 -2.054 1.00 0.00 N ATOM 396 CA ILE A 22 12.089 -2.862 -3.353 1.00 0.00 C ATOM 397 C ILE A 22 13.363 -2.580 -4.175 1.00 0.00 C ATOM 398 O ILE A 22 13.929 -1.485 -4.069 1.00 0.00 O ATOM 399 CB ILE A 22 10.794 -2.587 -4.158 1.00 0.00 C ATOM 400 CG1 ILE A 22 10.627 -1.105 -4.563 1.00 0.00 C ATOM 401 CG2 ILE A 22 9.574 -3.104 -3.375 1.00 0.00 C ATOM 402 CD1 ILE A 22 9.381 -0.848 -5.422 1.00 0.00 C ATOM 0 H ILE A 22 11.787 -1.189 -2.120 1.00 0.00 H new ATOM 0 HA ILE A 22 12.106 -3.929 -3.133 1.00 0.00 H new ATOM 0 HB ILE A 22 10.874 -3.133 -5.098 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.572 -0.493 -3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.512 -0.784 -5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.666 -2.908 -3.945 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.675 -4.177 -3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.516 -2.594 -2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.323 0.211 -5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.444 -1.434 -6.339 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.490 -1.139 -4.866 1.00 0.00 H new ATOM 532 N TYR A 31 7.308 -5.187 -11.097 1.00 0.00 N ATOM 533 CA TYR A 31 7.846 -5.982 -9.995 1.00 0.00 C ATOM 534 C TYR A 31 7.204 -7.374 -9.958 1.00 0.00 C ATOM 535 O TYR A 31 6.101 -7.554 -10.463 1.00 0.00 O ATOM 536 CB TYR A 31 7.569 -5.228 -8.693 1.00 0.00 C ATOM 537 CG TYR A 31 7.852 -3.740 -8.746 1.00 0.00 C ATOM 538 CD1 TYR A 31 9.128 -3.273 -9.114 1.00 0.00 C ATOM 539 CD2 TYR A 31 6.821 -2.821 -8.469 1.00 0.00 C ATOM 540 CE1 TYR A 31 9.396 -1.892 -9.120 1.00 0.00 C ATOM 541 CE2 TYR A 31 7.074 -1.440 -8.528 1.00 0.00 C ATOM 542 CZ TYR A 31 8.363 -0.969 -8.849 1.00 0.00 C ATOM 543 OH TYR A 31 8.587 0.372 -8.922 1.00 0.00 O ATOM 0 HA TYR A 31 8.918 -6.125 -10.129 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.524 -5.375 -8.420 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.171 -5.670 -7.899 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.901 -3.975 -9.392 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.835 -3.178 -8.211 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.394 -1.537 -9.332 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.279 -0.738 -8.327 1.00 0.00 H new ATOM 0 HH TYR A 31 7.762 0.854 -8.704 1.00 0.00 H new ATOM 553 N ARG A 32 7.850 -8.362 -9.332 1.00 0.00 N ATOM 554 CA ARG A 32 7.435 -9.784 -9.380 1.00 0.00 C ATOM 555 C ARG A 32 7.285 -10.459 -8.022 1.00 0.00 C ATOM 556 O ARG A 32 7.263 -11.682 -7.959 1.00 0.00 O ATOM 557 CB ARG A 32 8.310 -10.595 -10.367 1.00 0.00 C ATOM 558 CG ARG A 32 9.836 -10.503 -10.175 1.00 0.00 C ATOM 559 CD ARG A 32 10.442 -9.276 -10.878 1.00 0.00 C ATOM 560 NE ARG A 32 11.915 -9.239 -10.788 1.00 0.00 N ATOM 561 CZ ARG A 32 12.798 -9.782 -11.604 1.00 0.00 C ATOM 562 NH1 ARG A 32 14.060 -9.601 -11.361 1.00 0.00 N ATOM 563 NH2 ARG A 32 12.464 -10.494 -12.644 1.00 0.00 N ATOM 0 H ARG A 32 8.686 -8.205 -8.769 1.00 0.00 H new ATOM 0 HA ARG A 32 6.417 -9.774 -9.770 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.021 -11.643 -10.296 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.074 -10.267 -11.379 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.063 -10.457 -9.110 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.304 -11.408 -10.562 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.146 -9.280 -11.927 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.032 -8.369 -10.435 1.00 0.00 H new ATOM 0 HE ARG A 32 12.299 -8.728 -9.993 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.350 -9.049 -10.554 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.762 -10.011 -11.977 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.480 -10.653 -12.858 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.187 -10.892 -13.243 1.00 0.00 H new ATOM 577 N ALA A 33 7.160 -9.668 -6.956 1.00 0.00 N ATOM 578 CA ALA A 33 7.112 -10.055 -5.539 1.00 0.00 C ATOM 579 C ALA A 33 8.329 -10.853 -5.021 1.00 0.00 C ATOM 580 O ALA A 33 8.953 -10.461 -4.039 1.00 0.00 O ATOM 581 CB ALA A 33 5.781 -10.766 -5.295 1.00 0.00 C ATOM 0 H ALA A 33 7.083 -8.657 -7.067 1.00 0.00 H new ATOM 0 HA ALA A 33 7.176 -9.144 -4.944 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.715 -11.066 -4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.959 -10.090 -5.531 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.718 -11.649 -5.931 1.00 0.00 H new ATOM 587 N SER A 34 8.718 -11.929 -5.706 1.00 0.00 N ATOM 588 CA SER A 34 9.825 -12.830 -5.357 1.00 0.00 C ATOM 589 C SER A 34 11.214 -12.175 -5.403 1.00 0.00 C ATOM 590 O SER A 34 12.182 -12.740 -4.894 1.00 0.00 O ATOM 591 CB SER A 34 9.812 -14.053 -6.283 1.00 0.00 C ATOM 592 OG SER A 34 8.579 -14.750 -6.167 1.00 0.00 O ATOM 0 H SER A 34 8.247 -12.213 -6.565 1.00 0.00 H new ATOM 0 HA SER A 34 9.656 -13.119 -4.320 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.962 -13.737 -7.315 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.638 -14.718 -6.030 1.00 0.00 H new ATOM 0 HG SER A 34 8.585 -15.527 -6.765 1.00 0.00 H new ATOM 598 N ASP A 35 11.319 -10.980 -5.994 1.00 0.00 N ATOM 599 CA ASP A 35 12.545 -10.170 -6.032 1.00 0.00 C ATOM 600 C ASP A 35 12.664 -9.216 -4.819 1.00 0.00 C ATOM 601 O ASP A 35 13.676 -8.534 -4.651 1.00 0.00 O ATOM 602 CB ASP A 35 12.564 -9.433 -7.381 1.00 0.00 C ATOM 603 CG ASP A 35 13.951 -9.010 -7.895 1.00 0.00 C ATOM 604 OD1 ASP A 35 14.999 -9.469 -7.384 1.00 0.00 O ATOM 605 OD2 ASP A 35 13.972 -8.276 -8.912 1.00 0.00 O ATOM 0 H ASP A 35 10.535 -10.537 -6.472 1.00 0.00 H new ATOM 0 HA ASP A 35 13.422 -10.812 -5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.100 -10.074 -8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.942 -8.542 -7.295 1.00 0.00 H new ATOM 610 N TRP A 36 11.637 -9.157 -3.960 1.00 0.00 N ATOM 611 CA TRP A 36 11.614 -8.413 -2.704 1.00 0.00 C ATOM 612 C TRP A 36 12.054 -9.310 -1.530 1.00 0.00 C ATOM 613 O TRP A 36 12.202 -10.529 -1.659 1.00 0.00 O ATOM 614 CB TRP A 36 10.201 -7.853 -2.467 1.00 0.00 C ATOM 615 CG TRP A 36 9.506 -7.089 -3.566 1.00 0.00 C ATOM 616 CD1 TRP A 36 10.036 -6.624 -4.724 1.00 0.00 C ATOM 617 CD2 TRP A 36 8.105 -6.674 -3.587 1.00 0.00 C ATOM 618 NE1 TRP A 36 9.071 -5.939 -5.445 1.00 0.00 N ATOM 619 CE2 TRP A 36 7.871 -5.916 -4.771 1.00 0.00 C ATOM 620 CE3 TRP A 36 7.009 -6.859 -2.717 1.00 0.00 C ATOM 621 CZ2 TRP A 36 6.630 -5.340 -5.060 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.761 -6.264 -2.983 1.00 0.00 C ATOM 623 CH2 TRP A 36 5.572 -5.508 -4.152 1.00 0.00 C ATOM 0 H TRP A 36 10.762 -9.651 -4.135 1.00 0.00 H new ATOM 0 HA TRP A 36 12.318 -7.583 -2.767 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.559 -8.692 -2.197 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.252 -7.198 -1.597 1.00 0.00 H new ATOM 0 HD1 TRP A 36 11.059 -6.766 -5.038 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.229 -5.508 -6.356 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.130 -7.467 -1.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.487 -4.774 -5.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.946 -6.389 -2.286 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.612 -5.056 -4.353 1.00 0.00 H new ATOM 634 N LYS A 37 12.234 -8.711 -0.348 1.00 0.00 N ATOM 635 CA LYS A 37 12.708 -9.380 0.882 1.00 0.00 C ATOM 636 C LYS A 37 11.615 -10.153 1.636 1.00 0.00 C ATOM 637 O LYS A 37 11.409 -9.957 2.833 1.00 0.00 O ATOM 638 CB LYS A 37 13.415 -8.370 1.791 1.00 0.00 C ATOM 639 CG LYS A 37 14.714 -7.830 1.188 1.00 0.00 C ATOM 640 CD LYS A 37 15.557 -7.081 2.225 1.00 0.00 C ATOM 641 CE LYS A 37 14.742 -6.037 2.994 1.00 0.00 C ATOM 642 NZ LYS A 37 15.600 -5.235 3.902 1.00 0.00 N ATOM 0 H LYS A 37 12.050 -7.717 -0.210 1.00 0.00 H new ATOM 0 HA LYS A 37 13.421 -10.141 0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.741 -7.537 1.993 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.634 -8.842 2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.294 -8.656 0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.479 -7.162 0.360 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.983 -7.796 2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.392 -6.590 1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.239 -5.375 2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.965 -6.536 3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.130 -4.332 4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.758 -5.761 4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.514 -5.049 3.442 1.00 0.00 H new ATOM 656 N LEU A 38 10.940 -11.070 0.950 1.00 0.00 N ATOM 657 CA LEU A 38 9.786 -11.821 1.480 1.00 0.00 C ATOM 658 C LEU A 38 10.090 -12.674 2.728 1.00 0.00 C ATOM 659 O LEU A 38 9.167 -13.052 3.451 1.00 0.00 O ATOM 660 CB LEU A 38 9.200 -12.715 0.374 1.00 0.00 C ATOM 661 CG LEU A 38 8.794 -11.988 -0.918 1.00 0.00 C ATOM 662 CD1 LEU A 38 8.110 -12.994 -1.847 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.842 -10.818 -0.672 1.00 0.00 C ATOM 0 H LEU A 38 11.177 -11.323 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 38 9.066 -11.069 1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.933 -13.482 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.325 -13.229 0.772 1.00 0.00 H new ATOM 0 HG LEU A 38 9.701 -11.578 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.815 -12.495 -2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.801 -13.804 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.226 -13.400 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.593 -10.346 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.931 -11.184 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.323 -10.089 -0.020 1.00 0.00 H new ATOM 675 N ASP A 39 11.367 -12.959 3.001 1.00 0.00 N ATOM 676 CA ASP A 39 11.826 -13.721 4.174 1.00 0.00 C ATOM 677 C ASP A 39 12.406 -12.826 5.289 1.00 0.00 C ATOM 678 O ASP A 39 12.668 -13.309 6.395 1.00 0.00 O ATOM 679 CB ASP A 39 12.831 -14.792 3.719 1.00 0.00 C ATOM 680 CG ASP A 39 12.161 -15.897 2.887 1.00 0.00 C ATOM 681 OD1 ASP A 39 12.365 -15.936 1.649 1.00 0.00 O ATOM 682 OD2 ASP A 39 11.445 -16.745 3.471 1.00 0.00 O ATOM 0 H ASP A 39 12.133 -12.659 2.398 1.00 0.00 H new ATOM 0 HA ASP A 39 10.958 -14.206 4.621 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.619 -14.322 3.130 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.308 -15.236 4.593 1.00 0.00 H new ATOM 687 N GLN A 40 12.587 -11.523 5.025 1.00 0.00 N ATOM 688 CA GLN A 40 13.101 -10.539 5.991 1.00 0.00 C ATOM 689 C GLN A 40 12.515 -9.126 5.751 1.00 0.00 C ATOM 690 O GLN A 40 13.186 -8.269 5.165 1.00 0.00 O ATOM 691 CB GLN A 40 14.651 -10.559 6.048 1.00 0.00 C ATOM 692 CG GLN A 40 15.445 -10.555 4.728 1.00 0.00 C ATOM 693 CD GLN A 40 15.459 -11.893 3.985 1.00 0.00 C ATOM 694 OE1 GLN A 40 15.621 -12.963 4.555 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.321 -11.890 2.674 1.00 0.00 N ATOM 0 H GLN A 40 12.376 -11.115 4.114 1.00 0.00 H new ATOM 0 HA GLN A 40 12.754 -10.834 6.981 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.971 -9.693 6.627 1.00 0.00 H new ATOM 0 HB3 GLN A 40 14.949 -11.445 6.609 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.025 -9.794 4.070 1.00 0.00 H new ATOM 0 HG3 GLN A 40 16.473 -10.262 4.939 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.185 -11.009 2.178 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.350 -12.768 2.156 1.00 0.00 H new ATOM 704 N PRO A 41 11.274 -8.852 6.214 1.00 0.00 N ATOM 705 CA PRO A 41 10.665 -7.522 6.155 1.00 0.00 C ATOM 706 C PRO A 41 11.532 -6.439 6.811 1.00 0.00 C ATOM 707 O PRO A 41 12.192 -6.672 7.827 1.00 0.00 O ATOM 708 CB PRO A 41 9.309 -7.628 6.870 1.00 0.00 C ATOM 709 CG PRO A 41 8.972 -9.115 6.768 1.00 0.00 C ATOM 710 CD PRO A 41 10.341 -9.793 6.820 1.00 0.00 C ATOM 0 HA PRO A 41 10.555 -7.219 5.114 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.375 -7.301 7.908 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.551 -7.010 6.389 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.332 -9.439 7.588 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.445 -9.345 5.842 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.626 -10.020 7.847 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.330 -10.738 6.276 1.00 0.00 H new ATOM 718 N ASP A 42 11.474 -5.224 6.269 1.00 0.00 N ATOM 719 CA ASP A 42 12.022 -4.024 6.911 1.00 0.00 C ATOM 720 C ASP A 42 11.175 -3.600 8.125 1.00 0.00 C ATOM 721 O ASP A 42 11.700 -3.041 9.090 1.00 0.00 O ATOM 722 CB ASP A 42 12.092 -2.891 5.879 1.00 0.00 C ATOM 723 CG ASP A 42 13.117 -3.198 4.790 1.00 0.00 C ATOM 724 OD1 ASP A 42 14.333 -2.990 5.016 1.00 0.00 O ATOM 725 OD2 ASP A 42 12.731 -3.646 3.691 1.00 0.00 O ATOM 0 H ASP A 42 11.042 -5.040 5.364 1.00 0.00 H new ATOM 0 HA ASP A 42 13.024 -4.248 7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.111 -2.746 5.428 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.355 -1.958 6.377 1.00 0.00 H new ATOM 730 N TRP A 43 9.869 -3.894 8.084 1.00 0.00 N ATOM 731 CA TRP A 43 8.896 -3.655 9.157 1.00 0.00 C ATOM 732 C TRP A 43 7.664 -4.564 8.995 1.00 0.00 C ATOM 733 O TRP A 43 7.326 -4.964 7.879 1.00 0.00 O ATOM 734 CB TRP A 43 8.505 -2.168 9.129 1.00 0.00 C ATOM 735 CG TRP A 43 7.376 -1.743 10.016 1.00 0.00 C ATOM 736 CD1 TRP A 43 7.481 -1.220 11.259 1.00 0.00 C ATOM 737 CD2 TRP A 43 5.952 -1.742 9.703 1.00 0.00 C ATOM 738 NE1 TRP A 43 6.224 -0.875 11.722 1.00 0.00 N ATOM 739 CE2 TRP A 43 5.247 -1.138 10.785 1.00 0.00 C ATOM 740 CE3 TRP A 43 5.194 -2.181 8.598 1.00 0.00 C ATOM 741 CZ2 TRP A 43 3.861 -0.925 10.744 1.00 0.00 C ATOM 742 CZ3 TRP A 43 3.805 -1.954 8.545 1.00 0.00 C ATOM 743 CH2 TRP A 43 3.137 -1.331 9.612 1.00 0.00 C ATOM 0 H TRP A 43 9.443 -4.325 7.264 1.00 0.00 H new ATOM 0 HA TRP A 43 9.339 -3.897 10.123 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.384 -1.582 9.396 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.247 -1.905 8.103 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.404 -1.092 11.806 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.042 -0.475 12.643 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.683 -2.696 7.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.356 -0.454 11.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.247 -2.263 7.673 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.071 -1.165 9.562 1.00 0.00 H new ATOM 754 N THR A 44 6.960 -4.864 10.091 1.00 0.00 N ATOM 755 CA THR A 44 5.641 -5.529 10.084 1.00 0.00 C ATOM 756 C THR A 44 4.663 -4.847 11.037 1.00 0.00 C ATOM 757 O THR A 44 5.055 -4.336 12.090 1.00 0.00 O ATOM 758 CB THR A 44 5.715 -7.020 10.448 1.00 0.00 C ATOM 759 OG1 THR A 44 6.361 -7.227 11.687 1.00 0.00 O ATOM 760 CG2 THR A 44 6.453 -7.846 9.405 1.00 0.00 C ATOM 0 H THR A 44 7.293 -4.649 11.031 1.00 0.00 H new ATOM 0 HA THR A 44 5.285 -5.442 9.057 1.00 0.00 H new ATOM 0 HB THR A 44 4.676 -7.346 10.501 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.445 -8.189 11.856 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.474 -8.890 9.716 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.941 -7.763 8.446 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.474 -7.477 9.305 1.00 0.00 H new ATOM 768 N GLY A 45 3.373 -4.865 10.692 1.00 0.00 N ATOM 769 CA GLY A 45 2.330 -4.247 11.505 1.00 0.00 C ATOM 770 C GLY A 45 0.932 -4.355 10.904 1.00 0.00 C ATOM 771 O GLY A 45 0.550 -5.394 10.359 1.00 0.00 O ATOM 0 H GLY A 45 3.026 -5.309 9.842 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.328 -4.712 12.491 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.572 -3.194 11.650 1.00 0.00 H new ATOM 775 N ARG A 46 0.162 -3.275 11.053 1.00 0.00 N ATOM 776 CA ARG A 46 -1.274 -3.170 10.758 1.00 0.00 C ATOM 777 C ARG A 46 -1.502 -2.269 9.545 1.00 0.00 C ATOM 778 O ARG A 46 -0.853 -1.230 9.400 1.00 0.00 O ATOM 779 CB ARG A 46 -2.006 -2.614 11.996 1.00 0.00 C ATOM 780 CG ARG A 46 -1.627 -3.267 13.341 1.00 0.00 C ATOM 781 CD ARG A 46 -2.028 -4.744 13.434 1.00 0.00 C ATOM 782 NE ARG A 46 -1.923 -5.246 14.820 1.00 0.00 N ATOM 783 CZ ARG A 46 -1.701 -6.487 15.218 1.00 0.00 C ATOM 784 NH1 ARG A 46 -1.551 -6.743 16.485 1.00 0.00 N ATOM 785 NH2 ARG A 46 -1.604 -7.486 14.392 1.00 0.00 N ATOM 0 H ARG A 46 0.544 -2.397 11.403 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.671 -4.157 10.522 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.808 -1.544 12.063 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.079 -2.731 11.845 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.550 -3.180 13.488 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.105 -2.716 14.151 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.050 -4.868 13.077 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.388 -5.338 12.781 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.035 -4.551 15.558 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.605 -5.987 17.168 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.380 -7.699 16.795 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.700 -7.329 13.389 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.432 -8.427 14.747 1.00 0.00 H new ATOM 799 N LEU A 47 -2.448 -2.654 8.693 1.00 0.00 N ATOM 800 CA LEU A 47 -2.897 -1.864 7.547 1.00 0.00 C ATOM 801 C LEU A 47 -4.109 -1.020 7.937 1.00 0.00 C ATOM 802 O LEU A 47 -5.061 -1.549 8.513 1.00 0.00 O ATOM 803 CB LEU A 47 -3.269 -2.818 6.398 1.00 0.00 C ATOM 804 CG LEU A 47 -3.854 -2.137 5.143 1.00 0.00 C ATOM 805 CD1 LEU A 47 -2.818 -1.282 4.415 1.00 0.00 C ATOM 806 CD2 LEU A 47 -4.363 -3.203 4.181 1.00 0.00 C ATOM 0 H LEU A 47 -2.936 -3.545 8.781 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.097 -1.197 7.226 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.379 -3.376 6.108 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.993 -3.543 6.769 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.664 -1.486 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.276 -0.823 3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.454 -0.503 5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.984 -1.910 4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.777 -2.724 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.539 -3.855 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.138 -3.794 4.669 1.00 0.00 H new ATOM 818 N ARG A 48 -4.132 0.238 7.496 1.00 0.00 N ATOM 819 CA ARG A 48 -5.353 1.028 7.322 1.00 0.00 C ATOM 820 C ARG A 48 -5.403 1.623 5.914 1.00 0.00 C ATOM 821 O ARG A 48 -4.422 2.164 5.413 1.00 0.00 O ATOM 822 CB ARG A 48 -5.475 2.089 8.435 1.00 0.00 C ATOM 823 CG ARG A 48 -6.779 2.891 8.260 1.00 0.00 C ATOM 824 CD ARG A 48 -7.220 3.685 9.492 1.00 0.00 C ATOM 825 NE ARG A 48 -6.324 4.816 9.797 1.00 0.00 N ATOM 826 CZ ARG A 48 -5.391 4.847 10.724 1.00 0.00 C ATOM 827 NH1 ARG A 48 -4.693 5.923 10.885 1.00 0.00 N ATOM 828 NH2 ARG A 48 -5.147 3.826 11.492 1.00 0.00 N ATOM 0 H ARG A 48 -3.285 0.748 7.244 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.224 0.380 7.419 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.464 1.606 9.412 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.618 2.762 8.403 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.654 3.582 7.427 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.578 2.202 7.985 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.231 4.061 9.333 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.260 3.018 10.353 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.439 5.658 9.233 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.868 6.737 10.296 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.967 5.958 11.601 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.687 2.967 11.385 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.416 3.884 12.201 1.00 0.00 H new ATOM 842 N ILE A 49 -6.572 1.547 5.291 1.00 0.00 N ATOM 843 CA ILE A 49 -6.944 2.309 4.099 1.00 0.00 C ATOM 844 C ILE A 49 -8.019 3.306 4.517 1.00 0.00 C ATOM 845 O ILE A 49 -8.953 2.973 5.252 1.00 0.00 O ATOM 846 CB ILE A 49 -7.411 1.407 2.941 1.00 0.00 C ATOM 847 CG1 ILE A 49 -6.405 0.271 2.667 1.00 0.00 C ATOM 848 CG2 ILE A 49 -7.631 2.271 1.686 1.00 0.00 C ATOM 849 CD1 ILE A 49 -6.852 -0.661 1.539 1.00 0.00 C ATOM 0 H ILE A 49 -7.318 0.930 5.612 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.071 2.833 3.709 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.352 0.932 3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.437 0.703 2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.265 -0.311 3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.962 1.638 0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.391 3.025 1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.697 2.762 1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.104 -1.440 1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.806 -1.119 1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.965 -0.089 0.618 1.00 0.00 H new ATOM 861 N THR A 50 -7.860 4.535 4.050 1.00 0.00 N ATOM 862 CA THR A 50 -8.547 5.733 4.537 1.00 0.00 C ATOM 863 C THR A 50 -8.724 6.739 3.401 1.00 0.00 C ATOM 864 O THR A 50 -8.098 6.598 2.352 1.00 0.00 O ATOM 865 CB THR A 50 -7.750 6.381 5.695 1.00 0.00 C ATOM 866 OG1 THR A 50 -6.424 5.910 5.838 1.00 0.00 O ATOM 867 CG2 THR A 50 -8.418 6.087 7.030 1.00 0.00 C ATOM 0 H THR A 50 -7.218 4.739 3.284 1.00 0.00 H new ATOM 0 HA THR A 50 -9.529 5.440 4.908 1.00 0.00 H new ATOM 0 HB THR A 50 -7.732 7.440 5.437 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.995 5.868 4.958 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.845 6.550 7.833 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.430 6.491 7.027 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.458 5.009 7.187 1.00 0.00 H new ATOM 875 N SER A 51 -9.554 7.769 3.574 1.00 0.00 N ATOM 876 CA SER A 51 -9.683 8.866 2.614 1.00 0.00 C ATOM 877 C SER A 51 -10.237 10.127 3.262 1.00 0.00 C ATOM 878 O SER A 51 -10.869 10.073 4.321 1.00 0.00 O ATOM 879 CB SER A 51 -10.583 8.424 1.452 1.00 0.00 C ATOM 880 OG SER A 51 -10.542 9.372 0.406 1.00 0.00 O ATOM 0 H SER A 51 -10.159 7.866 4.389 1.00 0.00 H new ATOM 0 HA SER A 51 -8.688 9.107 2.239 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.258 7.452 1.082 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.608 8.305 1.803 1.00 0.00 H new ATOM 0 HG SER A 51 -11.307 9.235 -0.190 1.00 0.00 H new ATOM 886 N LYS A 52 -10.021 11.271 2.612 1.00 0.00 N ATOM 887 CA LYS A 52 -10.839 12.465 2.790 1.00 0.00 C ATOM 888 C LYS A 52 -10.996 13.244 1.476 1.00 0.00 C ATOM 889 O LYS A 52 -10.019 13.678 0.863 1.00 0.00 O ATOM 890 CB LYS A 52 -10.255 13.293 3.937 1.00 0.00 C ATOM 891 CG LYS A 52 -11.231 14.314 4.529 1.00 0.00 C ATOM 892 CD LYS A 52 -12.617 13.801 4.950 1.00 0.00 C ATOM 893 CE LYS A 52 -12.560 12.650 5.961 1.00 0.00 C ATOM 894 NZ LYS A 52 -13.901 12.401 6.549 1.00 0.00 N ATOM 0 H LYS A 52 -9.264 11.393 1.940 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.856 12.187 3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.927 12.618 4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.370 13.818 3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.759 14.765 5.402 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.373 15.109 3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.186 14.625 5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.158 13.470 4.064 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.199 11.746 5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.849 12.889 6.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.862 12.551 7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.591 13.056 6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.190 11.421 6.352 1.00 0.00 H new ATOM 908 N GLY A 53 -12.244 13.396 1.035 1.00 0.00 N ATOM 909 CA GLY A 53 -12.636 14.049 -0.210 1.00 0.00 C ATOM 910 C GLY A 53 -12.174 13.231 -1.410 1.00 0.00 C ATOM 911 O GLY A 53 -12.597 12.091 -1.614 1.00 0.00 O ATOM 0 H GLY A 53 -13.046 13.050 1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.719 14.169 -0.239 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.203 15.048 -0.255 1.00 0.00 H new ATOM 915 N LYS A 54 -11.264 13.824 -2.178 1.00 0.00 N ATOM 916 CA LYS A 54 -10.636 13.253 -3.374 1.00 0.00 C ATOM 917 C LYS A 54 -9.192 12.787 -3.136 1.00 0.00 C ATOM 918 O LYS A 54 -8.446 12.571 -4.088 1.00 0.00 O ATOM 919 CB LYS A 54 -10.770 14.285 -4.498 1.00 0.00 C ATOM 920 CG LYS A 54 -12.218 14.437 -4.987 1.00 0.00 C ATOM 921 CD LYS A 54 -12.301 15.449 -6.135 1.00 0.00 C ATOM 922 CE LYS A 54 -13.761 15.633 -6.558 1.00 0.00 C ATOM 923 NZ LYS A 54 -13.894 16.619 -7.662 1.00 0.00 N ATOM 0 H LYS A 54 -10.925 14.764 -1.976 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.149 12.335 -3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.406 15.250 -4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.136 13.991 -5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.598 13.471 -5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.853 14.762 -4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.880 16.404 -5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.708 15.102 -6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.171 14.674 -6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.349 15.964 -5.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.896 16.717 -7.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.525 17.540 -7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.353 16.291 -8.488 1.00 0.00 H new ATOM 937 N THR A 55 -8.799 12.618 -1.871 1.00 0.00 N ATOM 938 CA THR A 55 -7.474 12.120 -1.481 1.00 0.00 C ATOM 939 C THR A 55 -7.610 10.902 -0.573 1.00 0.00 C ATOM 940 O THR A 55 -7.988 11.032 0.591 1.00 0.00 O ATOM 941 CB THR A 55 -6.652 13.206 -0.774 1.00 0.00 C ATOM 942 OG1 THR A 55 -6.646 14.413 -1.515 1.00 0.00 O ATOM 943 CG2 THR A 55 -5.193 12.772 -0.646 1.00 0.00 C ATOM 0 H THR A 55 -9.401 12.826 -1.075 1.00 0.00 H new ATOM 0 HA THR A 55 -6.948 11.834 -2.392 1.00 0.00 H new ATOM 0 HB THR A 55 -7.112 13.357 0.203 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.116 15.086 -1.039 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.624 13.553 -0.142 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.137 11.851 -0.066 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.776 12.601 -1.638 1.00 0.00 H new ATOM 951 N ALA A 56 -7.276 9.721 -1.093 1.00 0.00 N ATOM 952 CA ALA A 56 -7.145 8.512 -0.286 1.00 0.00 C ATOM 953 C ALA A 56 -5.787 8.470 0.423 1.00 0.00 C ATOM 954 O ALA A 56 -4.832 9.123 0.001 1.00 0.00 O ATOM 955 CB ALA A 56 -7.399 7.268 -1.135 1.00 0.00 C ATOM 0 H ALA A 56 -7.089 9.577 -2.085 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.906 8.528 0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.297 6.377 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.407 7.309 -1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.675 7.229 -1.949 1.00 0.00 H new ATOM 961 N TYR A 57 -5.697 7.678 1.486 1.00 0.00 N ATOM 962 CA TYR A 57 -4.512 7.495 2.315 1.00 0.00 C ATOM 963 C TYR A 57 -4.375 6.012 2.679 1.00 0.00 C ATOM 964 O TYR A 57 -5.229 5.465 3.379 1.00 0.00 O ATOM 965 CB TYR A 57 -4.636 8.354 3.588 1.00 0.00 C ATOM 966 CG TYR A 57 -4.917 9.832 3.374 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.883 10.688 2.948 1.00 0.00 C ATOM 968 CD2 TYR A 57 -6.205 10.357 3.619 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.128 12.065 2.775 1.00 0.00 C ATOM 970 CE2 TYR A 57 -6.456 11.729 3.432 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.418 12.590 3.017 1.00 0.00 C ATOM 972 OH TYR A 57 -5.664 13.920 2.865 1.00 0.00 O ATOM 0 H TYR A 57 -6.487 7.119 1.808 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.623 7.809 1.768 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.433 7.939 4.205 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.711 8.260 4.157 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.899 10.288 2.753 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.999 9.704 3.951 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.330 12.719 2.457 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.446 12.124 3.607 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.604 14.105 3.072 1.00 0.00 H new ATOM 982 N ILE A 58 -3.295 5.357 2.249 1.00 0.00 N ATOM 983 CA ILE A 58 -2.898 4.043 2.774 1.00 0.00 C ATOM 984 C ILE A 58 -1.928 4.304 3.925 1.00 0.00 C ATOM 985 O ILE A 58 -0.811 4.765 3.687 1.00 0.00 O ATOM 986 CB ILE A 58 -2.290 3.134 1.677 1.00 0.00 C ATOM 987 CG1 ILE A 58 -3.250 2.795 0.512 1.00 0.00 C ATOM 988 CG2 ILE A 58 -1.822 1.808 2.305 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.404 3.909 -0.531 1.00 0.00 C ATOM 0 H ILE A 58 -2.670 5.719 1.529 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.768 3.494 3.133 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.465 3.708 1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.891 1.895 0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.232 2.562 0.923 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.395 1.170 1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.068 2.012 3.065 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.672 1.303 2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.094 3.585 -1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.794 4.806 -0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.433 4.129 -0.975 1.00 0.00 H new ATOM 1001 N LYS A 59 -2.351 4.055 5.168 1.00 0.00 N ATOM 1002 CA LYS A 59 -1.546 4.283 6.376 1.00 0.00 C ATOM 1003 C LYS A 59 -1.176 2.973 7.069 1.00 0.00 C ATOM 1004 O LYS A 59 -2.019 2.113 7.314 1.00 0.00 O ATOM 1005 CB LYS A 59 -2.241 5.279 7.319 1.00 0.00 C ATOM 1006 CG LYS A 59 -2.499 6.621 6.611 1.00 0.00 C ATOM 1007 CD LYS A 59 -2.659 7.780 7.601 1.00 0.00 C ATOM 1008 CE LYS A 59 -2.871 9.092 6.834 1.00 0.00 C ATOM 1009 NZ LYS A 59 -2.910 10.256 7.750 1.00 0.00 N ATOM 0 H LYS A 59 -3.279 3.683 5.369 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.603 4.737 6.071 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.185 4.859 7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.622 5.442 8.201 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.673 6.836 5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.399 6.540 6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.506 7.593 8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.774 7.856 8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.068 9.225 6.109 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.803 9.039 6.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.055 11.126 7.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.692 10.140 8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.011 10.320 8.269 1.00 0.00 H new ATOM 1023 N LEU A 60 0.104 2.830 7.385 1.00 0.00 N ATOM 1024 CA LEU A 60 0.692 1.679 8.069 1.00 0.00 C ATOM 1025 C LEU A 60 0.985 2.030 9.530 1.00 0.00 C ATOM 1026 O LEU A 60 1.650 3.029 9.807 1.00 0.00 O ATOM 1027 CB LEU A 60 1.955 1.244 7.307 1.00 0.00 C ATOM 1028 CG LEU A 60 1.712 0.089 6.322 1.00 0.00 C ATOM 1029 CD1 LEU A 60 0.618 0.357 5.285 1.00 0.00 C ATOM 1030 CD2 LEU A 60 3.006 -0.184 5.563 1.00 0.00 C ATOM 0 H LEU A 60 0.796 3.546 7.162 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.005 0.841 8.079 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.352 2.099 6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.717 0.943 8.026 1.00 0.00 H new ATOM 0 HG LEU A 60 1.382 -0.756 6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.515 -0.510 4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.328 0.543 5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.887 1.229 4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.850 -1.002 4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.304 0.712 5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.791 -0.457 6.268 1.00 0.00 H new ATOM 1042 N GLU A 61 0.493 1.215 10.461 1.00 0.00 N ATOM 1043 CA GLU A 61 0.518 1.513 11.899 1.00 0.00 C ATOM 1044 C GLU A 61 1.010 0.335 12.758 1.00 0.00 C ATOM 1045 O GLU A 61 0.862 -0.834 12.395 1.00 0.00 O ATOM 1046 CB GLU A 61 -0.855 2.037 12.366 1.00 0.00 C ATOM 1047 CG GLU A 61 -1.076 3.494 11.924 1.00 0.00 C ATOM 1048 CD GLU A 61 -2.252 4.191 12.629 1.00 0.00 C ATOM 1049 OE1 GLU A 61 -2.434 5.415 12.427 1.00 0.00 O ATOM 1050 OE2 GLU A 61 -3.087 3.528 13.290 1.00 0.00 O ATOM 0 H GLU A 61 0.060 0.318 10.240 1.00 0.00 H new ATOM 0 HA GLU A 61 1.255 2.302 12.047 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.645 1.407 11.958 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.922 1.970 13.452 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.165 4.062 12.112 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.248 3.514 10.848 1.00 0.00 H new ATOM 1057 N ASP A 62 1.635 0.638 13.900 1.00 0.00 N ATOM 1058 CA ASP A 62 2.279 -0.347 14.768 1.00 0.00 C ATOM 1059 C ASP A 62 1.282 -1.324 15.396 1.00 0.00 C ATOM 1060 O ASP A 62 0.189 -0.958 15.834 1.00 0.00 O ATOM 1061 CB ASP A 62 3.081 0.357 15.856 1.00 0.00 C ATOM 1062 CG ASP A 62 3.894 -0.643 16.680 1.00 0.00 C ATOM 1063 OD1 ASP A 62 4.987 -1.060 16.236 1.00 0.00 O ATOM 1064 OD2 ASP A 62 3.375 -1.055 17.741 1.00 0.00 O ATOM 0 H ASP A 62 1.708 1.593 14.252 1.00 0.00 H new ATOM 0 HA ASP A 62 2.948 -0.935 14.140 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.751 1.088 15.402 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.405 0.907 16.511 1.00 0.00 H new ATOM 1069 N LYS A 63 1.708 -2.580 15.490 1.00 0.00 N ATOM 1070 CA LYS A 63 0.905 -3.714 15.957 1.00 0.00 C ATOM 1071 C LYS A 63 0.656 -3.786 17.462 1.00 0.00 C ATOM 1072 O LYS A 63 -0.202 -4.566 17.883 1.00 0.00 O ATOM 1073 CB LYS A 63 1.469 -5.033 15.378 1.00 0.00 C ATOM 1074 CG LYS A 63 3.006 -5.039 15.339 1.00 0.00 C ATOM 1075 CD LYS A 63 3.617 -6.395 14.986 1.00 0.00 C ATOM 1076 CE LYS A 63 5.143 -6.239 14.975 1.00 0.00 C ATOM 1077 NZ LYS A 63 5.830 -7.464 14.491 1.00 0.00 N ATOM 0 H LYS A 63 2.658 -2.850 15.234 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.098 -3.545 15.565 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.119 -5.871 15.980 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.081 -5.181 14.370 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.343 -4.300 14.612 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.384 -4.724 16.312 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.316 -7.149 15.713 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.261 -6.731 14.012 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.416 -5.397 14.339 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.490 -6.004 15.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.709 -7.605 15.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.207 -8.286 14.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.055 -7.360 13.481 1.00 0.00 H new ATOM 1091 N VAL A 64 1.342 -2.962 18.249 1.00 0.00 N ATOM 1092 CA VAL A 64 1.235 -2.916 19.713 1.00 0.00 C ATOM 1093 C VAL A 64 0.804 -1.533 20.213 1.00 0.00 C ATOM 1094 O VAL A 64 -0.013 -1.452 21.134 1.00 0.00 O ATOM 1095 CB VAL A 64 2.581 -3.345 20.334 1.00 0.00 C ATOM 1096 CG1 VAL A 64 2.560 -3.323 21.868 1.00 0.00 C ATOM 1097 CG2 VAL A 64 2.976 -4.766 19.900 1.00 0.00 C ATOM 0 H VAL A 64 2.009 -2.285 17.879 1.00 0.00 H new ATOM 0 HA VAL A 64 0.457 -3.611 20.027 1.00 0.00 H new ATOM 0 HB VAL A 64 3.306 -2.617 19.971 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.533 -3.634 22.250 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.340 -2.313 22.214 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.793 -4.006 22.231 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.929 -5.034 20.356 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.209 -5.471 20.221 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.071 -4.802 18.815 1.00 0.00 H new ATOM 1107 N SER A 65 1.294 -0.454 19.593 1.00 0.00 N ATOM 1108 CA SER A 65 1.091 0.928 20.065 1.00 0.00 C ATOM 1109 C SER A 65 0.343 1.833 19.074 1.00 0.00 C ATOM 1110 O SER A 65 -0.027 2.954 19.428 1.00 0.00 O ATOM 1111 CB SER A 65 2.446 1.541 20.442 1.00 0.00 C ATOM 1112 OG SER A 65 2.972 0.902 21.597 1.00 0.00 O ATOM 0 H SER A 65 1.849 -0.512 18.739 1.00 0.00 H new ATOM 0 HA SER A 65 0.442 0.866 20.939 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.144 1.437 19.611 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.330 2.609 20.629 1.00 0.00 H new ATOM 0 HG SER A 65 3.837 1.301 21.826 1.00 0.00 H new ATOM 1118 N GLY A 66 0.105 1.371 17.841 1.00 0.00 N ATOM 1119 CA GLY A 66 -0.648 2.114 16.813 1.00 0.00 C ATOM 1120 C GLY A 66 0.119 3.290 16.189 1.00 0.00 C ATOM 1121 O GLY A 66 -0.472 4.154 15.543 1.00 0.00 O ATOM 0 H GLY A 66 0.432 0.460 17.521 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.936 1.423 16.021 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.569 2.492 17.257 1.00 0.00 H new ATOM 1125 N GLU A 67 1.436 3.342 16.398 1.00 0.00 N ATOM 1126 CA GLU A 67 2.343 4.383 15.909 1.00 0.00 C ATOM 1127 C GLU A 67 2.389 4.406 14.375 1.00 0.00 C ATOM 1128 O GLU A 67 2.491 3.351 13.750 1.00 0.00 O ATOM 1129 CB GLU A 67 3.763 4.129 16.437 1.00 0.00 C ATOM 1130 CG GLU A 67 3.820 3.940 17.952 1.00 0.00 C ATOM 1131 CD GLU A 67 5.269 4.005 18.470 1.00 0.00 C ATOM 1132 OE1 GLU A 67 5.956 2.955 18.505 1.00 0.00 O ATOM 1133 OE2 GLU A 67 5.731 5.108 18.856 1.00 0.00 O ATOM 0 H GLU A 67 1.922 2.626 16.938 1.00 0.00 H new ATOM 0 HA GLU A 67 1.970 5.342 16.268 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.170 3.242 15.952 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.402 4.967 16.158 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.222 4.710 18.439 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.379 2.979 18.218 1.00 0.00 H new ATOM 1140 N LEU A 68 2.359 5.587 13.758 1.00 0.00 N ATOM 1141 CA LEU A 68 2.418 5.721 12.297 1.00 0.00 C ATOM 1142 C LEU A 68 3.822 5.375 11.767 1.00 0.00 C ATOM 1143 O LEU A 68 4.784 6.107 12.011 1.00 0.00 O ATOM 1144 CB LEU A 68 1.953 7.135 11.898 1.00 0.00 C ATOM 1145 CG LEU A 68 1.826 7.364 10.378 1.00 0.00 C ATOM 1146 CD1 LEU A 68 0.710 6.528 9.751 1.00 0.00 C ATOM 1147 CD2 LEU A 68 1.508 8.834 10.104 1.00 0.00 C ATOM 0 H LEU A 68 2.293 6.477 14.252 1.00 0.00 H new ATOM 0 HA LEU A 68 1.741 5.006 11.831 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.987 7.330 12.364 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.656 7.862 12.304 1.00 0.00 H new ATOM 0 HG LEU A 68 2.778 7.068 9.937 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.664 6.727 8.680 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.912 5.470 9.915 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.243 6.790 10.210 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.419 8.993 9.029 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.569 9.100 10.589 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.309 9.459 10.498 1.00 0.00 H new ATOM 1159 N PHE A 69 3.931 4.272 11.020 1.00 0.00 N ATOM 1160 CA PHE A 69 5.155 3.879 10.314 1.00 0.00 C ATOM 1161 C PHE A 69 5.323 4.695 9.026 1.00 0.00 C ATOM 1162 O PHE A 69 6.359 5.332 8.822 1.00 0.00 O ATOM 1163 CB PHE A 69 5.131 2.367 10.025 1.00 0.00 C ATOM 1164 CG PHE A 69 6.226 1.911 9.074 1.00 0.00 C ATOM 1165 CD1 PHE A 69 5.924 1.606 7.731 1.00 0.00 C ATOM 1166 CD2 PHE A 69 7.564 1.859 9.512 1.00 0.00 C ATOM 1167 CE1 PHE A 69 6.955 1.288 6.830 1.00 0.00 C ATOM 1168 CE2 PHE A 69 8.591 1.513 8.616 1.00 0.00 C ATOM 1169 CZ PHE A 69 8.288 1.235 7.271 1.00 0.00 C ATOM 0 H PHE A 69 3.160 3.617 10.887 1.00 0.00 H new ATOM 0 HA PHE A 69 6.016 4.091 10.948 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.229 1.824 10.965 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.162 2.102 9.603 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.898 1.617 7.394 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.802 2.086 10.541 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.722 1.084 5.795 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.613 1.461 8.961 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.078 0.982 6.579 1.00 0.00 H new ATOM 1179 N ALA A 70 4.292 4.697 8.174 1.00 0.00 N ATOM 1180 CA ALA A 70 4.273 5.412 6.900 1.00 0.00 C ATOM 1181 C ALA A 70 2.839 5.687 6.413 1.00 0.00 C ATOM 1182 O ALA A 70 1.886 5.033 6.840 1.00 0.00 O ATOM 1183 CB ALA A 70 5.052 4.588 5.866 1.00 0.00 C ATOM 0 H ALA A 70 3.428 4.188 8.359 1.00 0.00 H new ATOM 0 HA ALA A 70 4.745 6.385 7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.048 5.108 4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.080 4.459 6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.582 3.611 5.751 1.00 0.00 H new ATOM 1189 N GLN A 71 2.695 6.638 5.490 1.00 0.00 N ATOM 1190 CA GLN A 71 1.421 7.030 4.876 1.00 0.00 C ATOM 1191 C GLN A 71 1.594 7.349 3.385 1.00 0.00 C ATOM 1192 O GLN A 71 2.511 8.078 3.016 1.00 0.00 O ATOM 1193 CB GLN A 71 0.818 8.235 5.626 1.00 0.00 C ATOM 1194 CG GLN A 71 1.828 9.366 5.898 1.00 0.00 C ATOM 1195 CD GLN A 71 1.175 10.733 6.068 1.00 0.00 C ATOM 1196 OE1 GLN A 71 0.121 10.892 6.673 1.00 0.00 O ATOM 1197 NE2 GLN A 71 1.786 11.763 5.524 1.00 0.00 N ATOM 0 H GLN A 71 3.486 7.176 5.136 1.00 0.00 H new ATOM 0 HA GLN A 71 0.733 6.188 4.954 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.013 8.634 5.044 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.407 7.892 6.575 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.395 9.128 6.798 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.541 9.412 5.075 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.663 11.628 5.021 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.383 12.696 5.605 1.00 0.00 H new ATOM 1206 N ALA A 72 0.708 6.849 2.523 1.00 0.00 N ATOM 1207 CA ALA A 72 0.697 7.112 1.083 1.00 0.00 C ATOM 1208 C ALA A 72 -0.609 7.807 0.643 1.00 0.00 C ATOM 1209 O ALA A 72 -1.618 7.130 0.419 1.00 0.00 O ATOM 1210 CB ALA A 72 0.951 5.794 0.338 1.00 0.00 C ATOM 0 H ALA A 72 -0.047 6.229 2.817 1.00 0.00 H new ATOM 0 HA ALA A 72 1.496 7.809 0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.945 5.977 -0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.920 5.391 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.168 5.078 0.589 1.00 0.00 H new ATOM 1216 N PRO A 73 -0.604 9.150 0.520 1.00 0.00 N ATOM 1217 CA PRO A 73 -1.635 9.915 -0.178 1.00 0.00 C ATOM 1218 C PRO A 73 -1.771 9.521 -1.656 1.00 0.00 C ATOM 1219 O PRO A 73 -0.766 9.364 -2.356 1.00 0.00 O ATOM 1220 CB PRO A 73 -1.231 11.389 -0.054 1.00 0.00 C ATOM 1221 CG PRO A 73 -0.331 11.419 1.175 1.00 0.00 C ATOM 1222 CD PRO A 73 0.347 10.052 1.148 1.00 0.00 C ATOM 0 HA PRO A 73 -2.609 9.715 0.269 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.705 11.735 -0.943 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.101 12.033 0.072 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.396 12.230 1.121 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.905 11.565 2.090 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.280 10.089 0.586 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.595 9.719 2.156 1.00 0.00 H new ATOM 1230 N VAL A 74 -3.013 9.425 -2.140 1.00 0.00 N ATOM 1231 CA VAL A 74 -3.381 9.065 -3.521 1.00 0.00 C ATOM 1232 C VAL A 74 -4.480 10.007 -4.022 1.00 0.00 C ATOM 1233 O VAL A 74 -5.479 10.193 -3.330 1.00 0.00 O ATOM 1234 CB VAL A 74 -3.905 7.610 -3.618 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -3.856 7.098 -5.060 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -3.173 6.603 -2.727 1.00 0.00 C ATOM 0 H VAL A 74 -3.830 9.604 -1.556 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.482 9.154 -4.131 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.932 7.674 -3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.230 6.075 -5.096 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.476 7.733 -5.693 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.827 7.121 -5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.609 5.613 -2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.118 6.575 -3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.270 6.903 -1.683 1.00 0.00 H new ATOM 1246 N GLU A 75 -4.342 10.577 -5.222 1.00 0.00 N ATOM 1247 CA GLU A 75 -5.346 11.512 -5.783 1.00 0.00 C ATOM 1248 C GLU A 75 -6.429 10.818 -6.635 1.00 0.00 C ATOM 1249 O GLU A 75 -7.526 11.350 -6.800 1.00 0.00 O ATOM 1250 CB GLU A 75 -4.640 12.604 -6.603 1.00 0.00 C ATOM 1251 CG GLU A 75 -3.745 13.502 -5.737 1.00 0.00 C ATOM 1252 CD GLU A 75 -3.142 14.646 -6.576 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -2.066 14.452 -7.192 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -3.736 15.752 -6.621 1.00 0.00 O ATOM 0 H GLU A 75 -3.543 10.412 -5.834 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.867 11.956 -4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.036 12.137 -7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.388 13.218 -7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.326 13.916 -4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.945 12.908 -5.295 1.00 0.00 H new ATOM 1261 N GLN A 76 -6.124 9.639 -7.188 1.00 0.00 N ATOM 1262 CA GLN A 76 -7.074 8.722 -7.837 1.00 0.00 C ATOM 1263 C GLN A 76 -6.455 7.328 -8.033 1.00 0.00 C ATOM 1264 O GLN A 76 -5.232 7.189 -8.090 1.00 0.00 O ATOM 1265 CB GLN A 76 -7.661 9.296 -9.151 1.00 0.00 C ATOM 1266 CG GLN A 76 -6.766 10.164 -10.058 1.00 0.00 C ATOM 1267 CD GLN A 76 -5.687 9.399 -10.814 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -5.872 8.969 -11.944 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -4.514 9.218 -10.251 1.00 0.00 N ATOM 0 H GLN A 76 -5.169 9.281 -7.197 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.921 8.612 -7.160 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.015 8.455 -9.747 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.536 9.890 -8.888 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.398 10.681 -10.780 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.288 10.930 -9.447 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.341 9.569 -9.309 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.777 8.726 -10.756 1.00 0.00 H new ATOM 1278 N TYR A 77 -7.297 6.294 -8.127 1.00 0.00 N ATOM 1279 CA TYR A 77 -6.891 4.894 -8.283 1.00 0.00 C ATOM 1280 C TYR A 77 -7.575 4.248 -9.508 1.00 0.00 C ATOM 1281 O TYR A 77 -8.807 4.301 -9.588 1.00 0.00 O ATOM 1282 CB TYR A 77 -7.232 4.123 -7.004 1.00 0.00 C ATOM 1283 CG TYR A 77 -6.726 2.698 -7.008 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -7.628 1.625 -7.139 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -5.345 2.455 -6.917 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -7.149 0.303 -7.184 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -4.863 1.137 -6.996 1.00 0.00 C ATOM 1288 CZ TYR A 77 -5.760 0.055 -7.122 1.00 0.00 C ATOM 1289 OH TYR A 77 -5.277 -1.215 -7.198 1.00 0.00 O ATOM 0 H TYR A 77 -8.310 6.412 -8.096 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.815 4.856 -8.452 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.808 4.649 -6.148 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.314 4.116 -6.870 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.689 1.817 -7.205 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.657 3.277 -6.787 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.842 -0.521 -7.266 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.800 0.951 -6.960 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.299 -1.197 -7.140 1.00 0.00 H new ATOM 1299 N PRO A 78 -6.830 3.622 -10.445 1.00 0.00 N ATOM 1300 CA PRO A 78 -5.367 3.504 -10.476 1.00 0.00 C ATOM 1301 C PRO A 78 -4.654 4.852 -10.703 1.00 0.00 C ATOM 1302 O PRO A 78 -5.168 5.738 -11.390 1.00 0.00 O ATOM 1303 CB PRO A 78 -5.065 2.504 -11.599 1.00 0.00 C ATOM 1304 CG PRO A 78 -6.242 2.684 -12.555 1.00 0.00 C ATOM 1305 CD PRO A 78 -7.405 2.954 -11.603 1.00 0.00 C ATOM 0 HA PRO A 78 -4.988 3.164 -9.512 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.114 2.721 -12.086 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -5.005 1.483 -11.223 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.081 3.513 -13.244 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.412 1.794 -13.161 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -8.161 3.579 -12.078 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.896 2.025 -11.313 1.00 0.00 H new ATOM 1313 N GLY A 79 -3.461 4.990 -10.119 1.00 0.00 N ATOM 1314 CA GLY A 79 -2.612 6.185 -10.169 1.00 0.00 C ATOM 1315 C GLY A 79 -1.152 5.886 -9.800 1.00 0.00 C ATOM 1316 O GLY A 79 -0.739 4.726 -9.771 1.00 0.00 O ATOM 0 H GLY A 79 -3.041 4.238 -9.573 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.650 6.612 -11.171 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.009 6.937 -9.487 1.00 0.00 H new ATOM 1320 N ILE A 80 -0.357 6.921 -9.506 1.00 0.00 N ATOM 1321 CA ILE A 80 1.087 6.776 -9.230 1.00 0.00 C ATOM 1322 C ILE A 80 1.390 6.150 -7.859 1.00 0.00 C ATOM 1323 O ILE A 80 2.310 5.345 -7.737 1.00 0.00 O ATOM 1324 CB ILE A 80 1.827 8.124 -9.426 1.00 0.00 C ATOM 1325 CG1 ILE A 80 3.346 7.931 -9.203 1.00 0.00 C ATOM 1326 CG2 ILE A 80 1.271 9.242 -8.520 1.00 0.00 C ATOM 1327 CD1 ILE A 80 4.226 9.113 -9.623 1.00 0.00 C ATOM 0 H ILE A 80 -0.690 7.883 -9.451 1.00 0.00 H new ATOM 0 HA ILE A 80 1.471 6.066 -9.963 1.00 0.00 H new ATOM 0 HB ILE A 80 1.655 8.447 -10.453 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.518 7.729 -8.146 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.668 7.047 -9.753 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.825 10.164 -8.698 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.217 9.403 -8.746 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.378 8.950 -7.475 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.272 8.876 -9.425 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.092 9.306 -10.687 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.941 9.999 -9.055 1.00 0.00 H new ATOM 1339 N ALA A 81 0.626 6.493 -6.819 1.00 0.00 N ATOM 1340 CA ALA A 81 0.964 6.182 -5.426 1.00 0.00 C ATOM 1341 C ALA A 81 0.562 4.772 -4.973 1.00 0.00 C ATOM 1342 O ALA A 81 0.700 4.458 -3.792 1.00 0.00 O ATOM 1343 CB ALA A 81 0.415 7.300 -4.531 1.00 0.00 C ATOM 0 H ALA A 81 -0.254 6.999 -6.920 1.00 0.00 H new ATOM 0 HA ALA A 81 2.050 6.154 -5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.657 7.085 -3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.864 8.250 -4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.667 7.360 -4.646 1.00 0.00 H new ATOM 1349 N VAL A 82 0.099 3.925 -5.898 1.00 0.00 N ATOM 1350 CA VAL A 82 -0.315 2.535 -5.660 1.00 0.00 C ATOM 1351 C VAL A 82 -0.065 1.696 -6.924 1.00 0.00 C ATOM 1352 O VAL A 82 -0.464 2.083 -8.021 1.00 0.00 O ATOM 1353 CB VAL A 82 -1.805 2.444 -5.275 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -2.152 1.017 -4.831 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -2.256 3.390 -4.156 1.00 0.00 C ATOM 0 H VAL A 82 -0.002 4.199 -6.875 1.00 0.00 H new ATOM 0 HA VAL A 82 0.276 2.149 -4.829 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.331 2.743 -6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.207 0.966 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.952 0.323 -5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.544 0.747 -3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.319 3.245 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.691 3.176 -3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.079 4.422 -4.459 1.00 0.00 H new ATOM 1365 N GLU A 83 0.586 0.545 -6.773 1.00 0.00 N ATOM 1366 CA GLU A 83 1.072 -0.323 -7.855 1.00 0.00 C ATOM 1367 C GLU A 83 1.010 -1.817 -7.492 1.00 0.00 C ATOM 1368 O GLU A 83 0.892 -2.176 -6.322 1.00 0.00 O ATOM 1369 CB GLU A 83 2.522 0.079 -8.207 1.00 0.00 C ATOM 1370 CG GLU A 83 2.603 0.828 -9.537 1.00 0.00 C ATOM 1371 CD GLU A 83 2.617 -0.131 -10.738 1.00 0.00 C ATOM 1372 OE1 GLU A 83 3.599 -0.078 -11.518 1.00 0.00 O ATOM 1373 OE2 GLU A 83 1.666 -0.933 -10.895 1.00 0.00 O ATOM 0 H GLU A 83 0.802 0.170 -5.850 1.00 0.00 H new ATOM 0 HA GLU A 83 0.417 -0.184 -8.715 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.927 0.706 -7.413 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.144 -0.815 -8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.753 1.505 -9.624 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.503 1.442 -9.553 1.00 0.00 H new ATOM 1380 N THR A 84 1.112 -2.694 -8.491 1.00 0.00 N ATOM 1381 CA THR A 84 0.967 -4.162 -8.374 1.00 0.00 C ATOM 1382 C THR A 84 2.224 -4.902 -8.848 1.00 0.00 C ATOM 1383 O THR A 84 3.067 -4.361 -9.571 1.00 0.00 O ATOM 1384 CB THR A 84 -0.251 -4.652 -9.181 1.00 0.00 C ATOM 1385 OG1 THR A 84 -0.100 -4.371 -10.559 1.00 0.00 O ATOM 1386 CG2 THR A 84 -1.553 -3.990 -8.726 1.00 0.00 C ATOM 0 H THR A 84 1.306 -2.398 -9.448 1.00 0.00 H new ATOM 0 HA THR A 84 0.820 -4.384 -7.317 1.00 0.00 H new ATOM 0 HB THR A 84 -0.303 -5.727 -9.008 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.886 -4.694 -11.047 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.382 -4.368 -9.325 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.730 -4.220 -7.675 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.476 -2.910 -8.854 1.00 0.00 H new ATOM 1394 N VAL A 85 2.353 -6.168 -8.443 1.00 0.00 N ATOM 1395 CA VAL A 85 3.334 -7.127 -8.968 1.00 0.00 C ATOM 1396 C VAL A 85 2.745 -7.927 -10.145 1.00 0.00 C ATOM 1397 O VAL A 85 1.534 -7.909 -10.383 1.00 0.00 O ATOM 1398 CB VAL A 85 3.810 -8.074 -7.855 1.00 0.00 C ATOM 1399 CG1 VAL A 85 4.393 -7.282 -6.682 1.00 0.00 C ATOM 1400 CG2 VAL A 85 2.678 -8.967 -7.349 1.00 0.00 C ATOM 0 H VAL A 85 1.759 -6.569 -7.717 1.00 0.00 H new ATOM 0 HA VAL A 85 4.193 -6.567 -9.336 1.00 0.00 H new ATOM 0 HB VAL A 85 4.584 -8.709 -8.286 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.724 -7.972 -5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.241 -6.691 -7.028 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.630 -6.618 -6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.055 -9.622 -6.563 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.875 -8.346 -6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.295 -9.571 -8.172 1.00 0.00 H new ATOM 1410 N THR A 86 3.584 -8.684 -10.850 1.00 0.00 N ATOM 1411 CA THR A 86 3.199 -9.527 -11.995 1.00 0.00 C ATOM 1412 C THR A 86 2.920 -10.981 -11.615 1.00 0.00 C ATOM 1413 O THR A 86 2.097 -11.638 -12.255 1.00 0.00 O ATOM 1414 CB THR A 86 4.304 -9.509 -13.062 1.00 0.00 C ATOM 1415 OG1 THR A 86 5.507 -10.034 -12.538 1.00 0.00 O ATOM 1416 CG2 THR A 86 4.600 -8.087 -13.528 1.00 0.00 C ATOM 0 H THR A 86 4.581 -8.733 -10.639 1.00 0.00 H new ATOM 0 HA THR A 86 2.272 -9.101 -12.380 1.00 0.00 H new ATOM 0 HB THR A 86 3.946 -10.112 -13.897 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.200 -10.017 -13.230 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.386 -8.108 -14.283 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.698 -7.649 -13.955 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.928 -7.487 -12.679 1.00 0.00 H new ATOM 1424 N ASP A 87 3.603 -11.498 -10.587 1.00 0.00 N ATOM 1425 CA ASP A 87 3.687 -12.946 -10.342 1.00 0.00 C ATOM 1426 C ASP A 87 2.651 -13.473 -9.338 1.00 0.00 C ATOM 1427 O ASP A 87 2.096 -14.555 -9.548 1.00 0.00 O ATOM 1428 CB ASP A 87 5.105 -13.300 -9.888 1.00 0.00 C ATOM 1429 CG ASP A 87 5.331 -14.823 -9.885 1.00 0.00 C ATOM 1430 OD1 ASP A 87 5.562 -15.400 -10.975 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.281 -15.447 -8.798 1.00 0.00 O ATOM 0 H ASP A 87 4.109 -10.932 -9.906 1.00 0.00 H new ATOM 0 HA ASP A 87 3.452 -13.439 -11.285 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.830 -12.825 -10.549 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.278 -12.903 -8.888 1.00 0.00 H new ATOM 1436 N SER A 88 2.377 -12.722 -8.261 1.00 0.00 N ATOM 1437 CA SER A 88 1.484 -13.181 -7.176 1.00 0.00 C ATOM 1438 C SER A 88 0.542 -12.096 -6.650 1.00 0.00 C ATOM 1439 O SER A 88 0.975 -11.049 -6.176 1.00 0.00 O ATOM 1440 CB SER A 88 2.315 -13.784 -6.038 1.00 0.00 C ATOM 1441 OG SER A 88 1.455 -14.317 -5.046 1.00 0.00 O ATOM 0 H SER A 88 2.761 -11.789 -8.114 1.00 0.00 H new ATOM 0 HA SER A 88 0.836 -13.945 -7.606 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.966 -14.567 -6.426 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.959 -13.021 -5.602 1.00 0.00 H new ATOM 0 HG SER A 88 1.991 -14.703 -4.322 1.00 0.00 H new ATOM 1447 N SER A 89 -0.768 -12.343 -6.685 1.00 0.00 N ATOM 1448 CA SER A 89 -1.813 -11.327 -6.458 1.00 0.00 C ATOM 1449 C SER A 89 -2.080 -10.976 -4.977 1.00 0.00 C ATOM 1450 O SER A 89 -3.208 -10.634 -4.618 1.00 0.00 O ATOM 1451 CB SER A 89 -3.098 -11.717 -7.202 1.00 0.00 C ATOM 1452 OG SER A 89 -2.823 -12.010 -8.565 1.00 0.00 O ATOM 0 H SER A 89 -1.146 -13.271 -6.875 1.00 0.00 H new ATOM 0 HA SER A 89 -1.422 -10.398 -6.873 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.552 -12.585 -6.723 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.821 -10.904 -7.139 1.00 0.00 H new ATOM 0 HG SER A 89 -3.655 -12.258 -9.021 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.057 -11.053 -4.109 1.00 0.00 N ATOM 1459 CA ARG A 90 -1.108 -10.641 -2.689 1.00 0.00 C ATOM 1460 C ARG A 90 -0.100 -9.542 -2.301 1.00 0.00 C ATOM 1461 O ARG A 90 0.189 -9.368 -1.116 1.00 0.00 O ATOM 1462 CB ARG A 90 -1.142 -11.863 -1.751 1.00 0.00 C ATOM 1463 CG ARG A 90 0.211 -12.547 -1.526 1.00 0.00 C ATOM 1464 CD ARG A 90 0.151 -13.564 -0.376 1.00 0.00 C ATOM 1465 NE ARG A 90 1.507 -13.862 0.124 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.840 -14.548 1.202 1.00 0.00 C ATOM 1467 NH1 ARG A 90 3.093 -14.643 1.539 1.00 0.00 N ATOM 1468 NH2 ARG A 90 0.966 -15.153 1.955 1.00 0.00 N ATOM 0 H ARG A 90 -0.143 -11.414 -4.381 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.060 -10.129 -2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.538 -11.549 -0.785 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.839 -12.595 -2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.520 -13.051 -2.442 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.967 -11.794 -1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.463 -13.170 0.434 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.326 -14.482 -0.719 1.00 0.00 H new ATOM 0 HE ARG A 90 2.280 -13.494 -0.430 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.809 -14.189 0.972 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.359 -15.171 2.370 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.026 -15.109 1.721 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.274 -15.671 2.778 1.00 0.00 H new ATOM 1482 N TYR A 91 0.448 -8.809 -3.278 1.00 0.00 N ATOM 1483 CA TYR A 91 1.556 -7.877 -3.083 1.00 0.00 C ATOM 1484 C TYR A 91 1.335 -6.578 -3.873 1.00 0.00 C ATOM 1485 O TYR A 91 0.925 -6.612 -5.038 1.00 0.00 O ATOM 1486 CB TYR A 91 2.857 -8.558 -3.524 1.00 0.00 C ATOM 1487 CG TYR A 91 3.242 -9.811 -2.760 1.00 0.00 C ATOM 1488 CD1 TYR A 91 2.979 -11.083 -3.303 1.00 0.00 C ATOM 1489 CD2 TYR A 91 3.896 -9.706 -1.518 1.00 0.00 C ATOM 1490 CE1 TYR A 91 3.407 -12.245 -2.633 1.00 0.00 C ATOM 1491 CE2 TYR A 91 4.273 -10.866 -0.816 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.057 -12.139 -1.386 1.00 0.00 C ATOM 1493 OH TYR A 91 4.446 -13.264 -0.728 1.00 0.00 O ATOM 0 H TYR A 91 0.124 -8.851 -4.244 1.00 0.00 H new ATOM 0 HA TYR A 91 1.617 -7.610 -2.028 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.771 -8.812 -4.580 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.670 -7.837 -3.435 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.446 -11.168 -4.239 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.109 -8.732 -1.102 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.238 -13.216 -3.074 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.728 -10.782 0.160 1.00 0.00 H new ATOM 0 HH TYR A 91 5.062 -13.024 -0.005 1.00 0.00 H new ATOM 1503 N PHE A 92 1.638 -5.438 -3.251 1.00 0.00 N ATOM 1504 CA PHE A 92 1.489 -4.098 -3.831 1.00 0.00 C ATOM 1505 C PHE A 92 2.704 -3.222 -3.526 1.00 0.00 C ATOM 1506 O PHE A 92 3.437 -3.479 -2.578 1.00 0.00 O ATOM 1507 CB PHE A 92 0.219 -3.423 -3.287 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.058 -4.165 -3.609 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.670 -4.014 -4.866 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.624 -5.027 -2.657 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.831 -4.745 -5.177 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.799 -5.730 -2.955 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.397 -5.603 -4.222 1.00 0.00 C ATOM 0 H PHE A 92 2.006 -5.419 -2.300 1.00 0.00 H new ATOM 0 HA PHE A 92 1.409 -4.211 -4.912 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.307 -3.325 -2.205 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.153 -2.414 -3.694 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.248 -3.336 -5.593 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.153 -5.149 -1.693 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.287 -4.646 -6.151 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.247 -6.371 -2.210 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.289 -6.164 -4.459 1.00 0.00 H new ATOM 1523 N VAL A 93 2.894 -2.158 -4.298 1.00 0.00 N ATOM 1524 CA VAL A 93 3.811 -1.051 -3.981 1.00 0.00 C ATOM 1525 C VAL A 93 2.993 0.207 -3.719 1.00 0.00 C ATOM 1526 O VAL A 93 1.987 0.419 -4.390 1.00 0.00 O ATOM 1527 CB VAL A 93 4.846 -0.854 -5.106 1.00 0.00 C ATOM 1528 CG1 VAL A 93 5.755 0.364 -4.913 1.00 0.00 C ATOM 1529 CG2 VAL A 93 5.738 -2.092 -5.203 1.00 0.00 C ATOM 0 H VAL A 93 2.406 -2.031 -5.185 1.00 0.00 H new ATOM 0 HA VAL A 93 4.379 -1.286 -3.081 1.00 0.00 H new ATOM 0 HB VAL A 93 4.267 -0.691 -6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.454 0.432 -5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.148 1.268 -4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.311 0.259 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.470 -1.952 -5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.256 -2.242 -4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.125 -2.966 -5.424 1.00 0.00 H new ATOM 1539 N ILE A 94 3.404 1.062 -2.779 1.00 0.00 N ATOM 1540 CA ILE A 94 2.791 2.381 -2.577 1.00 0.00 C ATOM 1541 C ILE A 94 3.840 3.487 -2.425 1.00 0.00 C ATOM 1542 O ILE A 94 4.931 3.252 -1.898 1.00 0.00 O ATOM 1543 CB ILE A 94 1.756 2.417 -1.428 1.00 0.00 C ATOM 1544 CG1 ILE A 94 2.312 2.128 -0.013 1.00 0.00 C ATOM 1545 CG2 ILE A 94 0.523 1.548 -1.723 1.00 0.00 C ATOM 1546 CD1 ILE A 94 2.527 0.656 0.368 1.00 0.00 C ATOM 0 H ILE A 94 4.170 0.861 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 94 2.230 2.579 -3.490 1.00 0.00 H new ATOM 0 HB ILE A 94 1.451 3.463 -1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.266 2.646 0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.631 2.570 0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.173 1.608 -0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.033 1.907 -2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.833 0.513 -1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.919 0.596 1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.577 0.124 0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.237 0.201 -0.322 1.00 0.00 H new ATOM 1558 N ARG A 95 3.501 4.703 -2.874 1.00 0.00 N ATOM 1559 CA ARG A 95 4.353 5.897 -2.723 1.00 0.00 C ATOM 1560 C ARG A 95 4.047 6.607 -1.406 1.00 0.00 C ATOM 1561 O ARG A 95 3.193 7.495 -1.353 1.00 0.00 O ATOM 1562 CB ARG A 95 4.231 6.833 -3.937 1.00 0.00 C ATOM 1563 CG ARG A 95 5.325 7.912 -3.933 1.00 0.00 C ATOM 1564 CD ARG A 95 5.107 8.911 -5.074 1.00 0.00 C ATOM 1565 NE ARG A 95 6.139 9.965 -5.067 1.00 0.00 N ATOM 1566 CZ ARG A 95 6.200 11.026 -5.849 1.00 0.00 C ATOM 1567 NH1 ARG A 95 7.174 11.870 -5.700 1.00 0.00 N ATOM 1568 NH2 ARG A 95 5.311 11.272 -6.770 1.00 0.00 N ATOM 0 H ARG A 95 2.622 4.890 -3.356 1.00 0.00 H new ATOM 0 HA ARG A 95 5.394 5.577 -2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.298 6.249 -4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.250 7.309 -3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.321 8.437 -2.978 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.304 7.444 -4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.127 8.386 -6.029 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.120 9.364 -4.980 1.00 0.00 H new ATOM 0 HE ARG A 95 6.888 9.862 -4.382 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.883 11.710 -4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.231 12.694 -6.299 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.529 10.632 -6.908 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.397 12.105 -7.352 1.00 0.00 H new ATOM 1582 N ILE A 96 4.736 6.224 -0.337 1.00 0.00 N ATOM 1583 CA ILE A 96 4.606 6.895 0.964 1.00 0.00 C ATOM 1584 C ILE A 96 5.251 8.288 0.926 1.00 0.00 C ATOM 1585 O ILE A 96 6.267 8.483 0.260 1.00 0.00 O ATOM 1586 CB ILE A 96 5.050 6.011 2.152 1.00 0.00 C ATOM 1587 CG1 ILE A 96 6.558 5.672 2.199 1.00 0.00 C ATOM 1588 CG2 ILE A 96 4.226 4.715 2.182 1.00 0.00 C ATOM 1589 CD1 ILE A 96 7.364 6.629 3.082 1.00 0.00 C ATOM 0 H ILE A 96 5.397 5.447 -0.340 1.00 0.00 H new ATOM 0 HA ILE A 96 3.545 7.057 1.153 1.00 0.00 H new ATOM 0 HB ILE A 96 4.863 6.617 3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.684 4.654 2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.961 5.696 1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.547 4.099 3.022 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.169 4.958 2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.377 4.166 1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.414 6.336 3.072 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.267 7.645 2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.986 6.588 4.103 1.00 0.00 H new ATOM 1601 N GLN A 97 4.636 9.269 1.592 1.00 0.00 N ATOM 1602 CA GLN A 97 5.003 10.692 1.551 1.00 0.00 C ATOM 1603 C GLN A 97 5.010 11.320 2.951 1.00 0.00 C ATOM 1604 O GLN A 97 4.154 11.042 3.794 1.00 0.00 O ATOM 1605 CB GLN A 97 4.035 11.479 0.650 1.00 0.00 C ATOM 1606 CG GLN A 97 4.161 11.172 -0.852 1.00 0.00 C ATOM 1607 CD GLN A 97 2.813 11.240 -1.565 1.00 0.00 C ATOM 1608 OE1 GLN A 97 2.272 12.300 -1.848 1.00 0.00 O ATOM 1609 NE2 GLN A 97 2.215 10.105 -1.852 1.00 0.00 N ATOM 0 H GLN A 97 3.837 9.089 2.199 1.00 0.00 H new ATOM 0 HA GLN A 97 6.012 10.747 1.142 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.013 11.268 0.966 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.202 12.545 0.804 1.00 0.00 H new ATOM 0 HG2 GLN A 97 4.850 11.882 -1.310 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.591 10.179 -0.984 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.663 9.219 -1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.303 10.110 -2.309 1.00 0.00 H new ATOM 1682 N SER A 103 9.262 11.703 -0.492 1.00 0.00 N ATOM 1683 CA SER A 103 8.544 10.449 -0.771 1.00 0.00 C ATOM 1684 C SER A 103 9.463 9.247 -1.030 1.00 0.00 C ATOM 1685 O SER A 103 10.643 9.409 -1.357 1.00 0.00 O ATOM 1686 CB SER A 103 7.593 10.653 -1.957 1.00 0.00 C ATOM 1687 OG SER A 103 8.292 10.860 -3.174 1.00 0.00 O ATOM 0 HA SER A 103 7.984 10.206 0.132 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.945 9.782 -2.055 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.948 11.509 -1.760 1.00 0.00 H new ATOM 0 HG SER A 103 9.137 11.322 -2.992 1.00 0.00 H new ATOM 1693 N ALA A 104 8.911 8.038 -0.901 1.00 0.00 N ATOM 1694 CA ALA A 104 9.556 6.768 -1.245 1.00 0.00 C ATOM 1695 C ALA A 104 8.532 5.741 -1.760 1.00 0.00 C ATOM 1696 O ALA A 104 7.386 5.720 -1.311 1.00 0.00 O ATOM 1697 CB ALA A 104 10.298 6.234 -0.012 1.00 0.00 C ATOM 0 H ALA A 104 7.965 7.912 -0.540 1.00 0.00 H new ATOM 0 HA ALA A 104 10.269 6.938 -2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.781 5.289 -0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.052 6.956 0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.588 6.077 0.800 1.00 0.00 H new ATOM 1703 N PHE A 105 8.948 4.857 -2.668 1.00 0.00 N ATOM 1704 CA PHE A 105 8.155 3.699 -3.094 1.00 0.00 C ATOM 1705 C PHE A 105 8.529 2.474 -2.246 1.00 0.00 C ATOM 1706 O PHE A 105 9.673 2.013 -2.289 1.00 0.00 O ATOM 1707 CB PHE A 105 8.349 3.450 -4.597 1.00 0.00 C ATOM 1708 CG PHE A 105 7.614 4.425 -5.504 1.00 0.00 C ATOM 1709 CD1 PHE A 105 8.223 5.625 -5.923 1.00 0.00 C ATOM 1710 CD2 PHE A 105 6.318 4.115 -5.961 1.00 0.00 C ATOM 1711 CE1 PHE A 105 7.549 6.492 -6.803 1.00 0.00 C ATOM 1712 CE2 PHE A 105 5.647 4.975 -6.846 1.00 0.00 C ATOM 1713 CZ PHE A 105 6.266 6.161 -7.273 1.00 0.00 C ATOM 0 H PHE A 105 9.853 4.924 -3.134 1.00 0.00 H new ATOM 0 HA PHE A 105 7.095 3.897 -2.935 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.414 3.496 -4.824 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.017 2.438 -4.829 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.210 5.880 -5.567 1.00 0.00 H new ATOM 0 HD2 PHE A 105 5.836 3.208 -5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 105 8.018 7.413 -7.118 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.657 4.725 -7.197 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.757 6.818 -7.962 1.00 0.00 H new ATOM 1723 N ILE A 106 7.570 1.949 -1.477 1.00 0.00 N ATOM 1724 CA ILE A 106 7.737 0.758 -0.620 1.00 0.00 C ATOM 1725 C ILE A 106 6.820 -0.379 -1.071 1.00 0.00 C ATOM 1726 O ILE A 106 5.702 -0.130 -1.518 1.00 0.00 O ATOM 1727 CB ILE A 106 7.556 1.075 0.885 1.00 0.00 C ATOM 1728 CG1 ILE A 106 6.095 1.382 1.287 1.00 0.00 C ATOM 1729 CG2 ILE A 106 8.495 2.224 1.288 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.877 1.517 2.800 1.00 0.00 C ATOM 0 H ILE A 106 6.632 2.346 -1.428 1.00 0.00 H new ATOM 0 HA ILE A 106 8.768 0.426 -0.740 1.00 0.00 H new ATOM 0 HB ILE A 106 7.821 0.171 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.783 2.307 0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.451 0.589 0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.366 2.445 2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.528 1.932 1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.258 3.111 0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.827 1.732 2.999 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.156 0.585 3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.493 2.330 3.185 1.00 0.00 H new ATOM 1742 N GLY A 107 7.272 -1.624 -0.933 1.00 0.00 N ATOM 1743 CA GLY A 107 6.474 -2.819 -1.201 1.00 0.00 C ATOM 1744 C GLY A 107 5.772 -3.298 0.066 1.00 0.00 C ATOM 1745 O GLY A 107 6.356 -3.239 1.148 1.00 0.00 O ATOM 0 H GLY A 107 8.222 -1.834 -0.626 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.735 -2.602 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.115 -3.611 -1.588 1.00 0.00 H new ATOM 1749 N ILE A 108 4.541 -3.788 -0.063 1.00 0.00 N ATOM 1750 CA ILE A 108 3.777 -4.449 0.998 1.00 0.00 C ATOM 1751 C ILE A 108 3.247 -5.814 0.553 1.00 0.00 C ATOM 1752 O ILE A 108 2.784 -5.983 -0.577 1.00 0.00 O ATOM 1753 CB ILE A 108 2.652 -3.569 1.590 1.00 0.00 C ATOM 1754 CG1 ILE A 108 1.598 -3.095 0.564 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.275 -2.393 2.353 1.00 0.00 C ATOM 1756 CD1 ILE A 108 0.353 -2.463 1.213 1.00 0.00 C ATOM 0 H ILE A 108 4.027 -3.735 -0.942 1.00 0.00 H new ATOM 0 HA ILE A 108 4.486 -4.614 1.809 1.00 0.00 H new ATOM 0 HB ILE A 108 2.087 -4.199 2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.056 -2.369 -0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.289 -3.943 -0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.484 -1.771 2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.902 -2.774 3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.882 -1.798 1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.345 -2.153 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.129 -3.193 1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.650 -1.595 1.801 1.00 0.00 H new ATOM 1768 N GLY A 109 3.305 -6.787 1.461 1.00 0.00 N ATOM 1769 CA GLY A 109 2.762 -8.134 1.296 1.00 0.00 C ATOM 1770 C GLY A 109 1.659 -8.446 2.304 1.00 0.00 C ATOM 1771 O GLY A 109 1.723 -8.029 3.465 1.00 0.00 O ATOM 0 H GLY A 109 3.750 -6.653 2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.368 -8.242 0.286 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.566 -8.862 1.404 1.00 0.00 H new ATOM 1775 N PHE A 110 0.647 -9.179 1.840 1.00 0.00 N ATOM 1776 CA PHE A 110 -0.531 -9.577 2.613 1.00 0.00 C ATOM 1777 C PHE A 110 -0.423 -11.022 3.114 1.00 0.00 C ATOM 1778 O PHE A 110 0.353 -11.830 2.599 1.00 0.00 O ATOM 1779 CB PHE A 110 -1.795 -9.358 1.763 1.00 0.00 C ATOM 1780 CG PHE A 110 -2.215 -7.904 1.655 1.00 0.00 C ATOM 1781 CD1 PHE A 110 -3.404 -7.474 2.274 1.00 0.00 C ATOM 1782 CD2 PHE A 110 -1.406 -6.969 0.978 1.00 0.00 C ATOM 1783 CE1 PHE A 110 -3.782 -6.123 2.218 1.00 0.00 C ATOM 1784 CE2 PHE A 110 -1.759 -5.611 0.967 1.00 0.00 C ATOM 1785 CZ PHE A 110 -2.950 -5.191 1.576 1.00 0.00 C ATOM 0 H PHE A 110 0.624 -9.525 0.881 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.594 -8.952 3.504 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.621 -9.752 0.762 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.615 -9.933 2.193 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -4.028 -8.186 2.794 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -0.513 -7.298 0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.710 -5.801 2.667 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.113 -4.889 0.489 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.229 -4.148 1.551 1.00 0.00 H new ATOM 1795 N THR A 111 -1.248 -11.367 4.105 1.00 0.00 N ATOM 1796 CA THR A 111 -1.335 -12.729 4.657 1.00 0.00 C ATOM 1797 C THR A 111 -1.946 -13.726 3.661 1.00 0.00 C ATOM 1798 O THR A 111 -1.599 -14.908 3.666 1.00 0.00 O ATOM 1799 CB THR A 111 -2.097 -12.704 5.994 1.00 0.00 C ATOM 1800 OG1 THR A 111 -1.969 -13.940 6.661 1.00 0.00 O ATOM 1801 CG2 THR A 111 -3.590 -12.379 5.871 1.00 0.00 C ATOM 0 H THR A 111 -1.882 -10.706 4.554 1.00 0.00 H new ATOM 0 HA THR A 111 -0.322 -13.084 4.845 1.00 0.00 H new ATOM 0 HB THR A 111 -1.636 -11.895 6.560 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.458 -13.906 7.510 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.046 -12.383 6.861 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.712 -11.394 5.419 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.075 -13.128 5.245 1.00 0.00 H new ATOM 1809 N ASP A 112 -2.807 -13.254 2.750 1.00 0.00 N ATOM 1810 CA ASP A 112 -3.482 -14.073 1.741 1.00 0.00 C ATOM 1811 C ASP A 112 -3.965 -13.219 0.556 1.00 0.00 C ATOM 1812 O ASP A 112 -4.228 -12.019 0.701 1.00 0.00 O ATOM 1813 CB ASP A 112 -4.669 -14.813 2.386 1.00 0.00 C ATOM 1814 CG ASP A 112 -5.258 -15.874 1.444 1.00 0.00 C ATOM 1815 OD1 ASP A 112 -6.302 -15.602 0.806 1.00 0.00 O ATOM 1816 OD2 ASP A 112 -4.650 -16.960 1.302 1.00 0.00 O ATOM 0 H ASP A 112 -3.058 -12.267 2.695 1.00 0.00 H new ATOM 0 HA ASP A 112 -2.767 -14.799 1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.342 -15.289 3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.443 -14.094 2.654 1.00 0.00 H new ATOM 1821 N ARG A 113 -4.133 -13.850 -0.614 1.00 0.00 N ATOM 1822 CA ARG A 113 -4.719 -13.234 -1.813 1.00 0.00 C ATOM 1823 C ARG A 113 -6.097 -12.622 -1.544 1.00 0.00 C ATOM 1824 O ARG A 113 -6.367 -11.521 -2.011 1.00 0.00 O ATOM 1825 CB ARG A 113 -4.811 -14.304 -2.911 1.00 0.00 C ATOM 1826 CG ARG A 113 -5.142 -13.680 -4.275 1.00 0.00 C ATOM 1827 CD ARG A 113 -5.540 -14.737 -5.312 1.00 0.00 C ATOM 1828 NE ARG A 113 -6.825 -15.396 -4.988 1.00 0.00 N ATOM 1829 CZ ARG A 113 -8.050 -14.934 -5.186 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -9.081 -15.652 -4.849 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -8.286 -13.764 -5.709 1.00 0.00 N ATOM 0 H ARG A 113 -3.860 -14.822 -0.757 1.00 0.00 H new ATOM 0 HA ARG A 113 -4.076 -12.413 -2.130 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -3.866 -14.843 -2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -5.577 -15.033 -2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -5.955 -12.964 -4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -4.278 -13.124 -4.638 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -5.613 -14.268 -6.293 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -4.755 -15.491 -5.377 1.00 0.00 H new ATOM 0 HE ARG A 113 -6.759 -16.319 -4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.947 -16.573 -4.431 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -10.024 -15.294 -5.002 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -7.510 -13.163 -5.985 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -9.247 -13.450 -5.843 1.00 0.00 H new ATOM 1845 N GLY A 114 -6.949 -13.292 -0.768 1.00 0.00 N ATOM 1846 CA GLY A 114 -8.292 -12.811 -0.416 1.00 0.00 C ATOM 1847 C GLY A 114 -8.305 -11.491 0.371 1.00 0.00 C ATOM 1848 O GLY A 114 -9.227 -10.693 0.208 1.00 0.00 O ATOM 0 H GLY A 114 -6.725 -14.199 -0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.870 -12.681 -1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -8.797 -13.577 0.173 1.00 0.00 H new ATOM 1852 N ASP A 115 -7.266 -11.217 1.166 1.00 0.00 N ATOM 1853 CA ASP A 115 -7.106 -9.963 1.915 1.00 0.00 C ATOM 1854 C ASP A 115 -6.522 -8.845 1.036 1.00 0.00 C ATOM 1855 O ASP A 115 -6.965 -7.697 1.111 1.00 0.00 O ATOM 1856 CB ASP A 115 -6.240 -10.209 3.159 1.00 0.00 C ATOM 1857 CG ASP A 115 -7.003 -10.994 4.235 1.00 0.00 C ATOM 1858 OD1 ASP A 115 -7.723 -10.345 5.030 1.00 0.00 O ATOM 1859 OD2 ASP A 115 -6.892 -12.240 4.288 1.00 0.00 O ATOM 0 H ASP A 115 -6.497 -11.872 1.311 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.092 -9.625 2.235 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.343 -10.759 2.875 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.912 -9.254 3.569 1.00 0.00 H new ATOM 1864 N ALA A 116 -5.599 -9.179 0.132 1.00 0.00 N ATOM 1865 CA ALA A 116 -5.153 -8.272 -0.928 1.00 0.00 C ATOM 1866 C ALA A 116 -6.281 -7.906 -1.914 1.00 0.00 C ATOM 1867 O ALA A 116 -6.337 -6.779 -2.406 1.00 0.00 O ATOM 1868 CB ALA A 116 -3.999 -8.958 -1.646 1.00 0.00 C ATOM 0 H ALA A 116 -5.138 -10.089 0.114 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.837 -7.326 -0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.635 -8.315 -2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.192 -9.149 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.343 -9.903 -2.068 1.00 0.00 H new ATOM 1874 N PHE A 117 -7.225 -8.824 -2.141 1.00 0.00 N ATOM 1875 CA PHE A 117 -8.466 -8.581 -2.886 1.00 0.00 C ATOM 1876 C PHE A 117 -9.512 -7.724 -2.140 1.00 0.00 C ATOM 1877 O PHE A 117 -10.577 -7.441 -2.692 1.00 0.00 O ATOM 1878 CB PHE A 117 -9.043 -9.904 -3.414 1.00 0.00 C ATOM 1879 CG PHE A 117 -8.697 -10.139 -4.871 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.396 -10.531 -5.238 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -9.663 -9.899 -5.868 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -7.072 -10.715 -6.594 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -9.338 -10.084 -7.223 1.00 0.00 C ATOM 1884 CZ PHE A 117 -8.044 -10.497 -7.587 1.00 0.00 C ATOM 0 H PHE A 117 -7.146 -9.783 -1.803 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.193 -7.960 -3.739 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -8.661 -10.730 -2.814 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.127 -9.899 -3.296 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.646 -10.691 -4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -10.654 -9.572 -5.591 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -6.076 -11.024 -6.873 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -10.083 -9.909 -7.985 1.00 0.00 H new ATOM 0 HZ PHE A 117 -7.797 -10.647 -8.628 1.00 0.00 H new ATOM 1894 N ASP A 118 -9.215 -7.264 -0.917 1.00 0.00 N ATOM 1895 CA ASP A 118 -9.941 -6.157 -0.281 1.00 0.00 C ATOM 1896 C ASP A 118 -9.221 -4.807 -0.458 1.00 0.00 C ATOM 1897 O ASP A 118 -9.888 -3.781 -0.584 1.00 0.00 O ATOM 1898 CB ASP A 118 -10.158 -6.439 1.213 1.00 0.00 C ATOM 1899 CG ASP A 118 -11.089 -7.623 1.520 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -12.164 -7.750 0.886 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -10.775 -8.384 2.469 1.00 0.00 O ATOM 0 H ASP A 118 -8.466 -7.648 -0.342 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.907 -6.085 -0.781 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -9.190 -6.627 1.677 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -10.567 -5.544 1.681 1.00 0.00 H new ATOM 1906 N PHE A 119 -7.883 -4.784 -0.502 1.00 0.00 N ATOM 1907 CA PHE A 119 -7.071 -3.564 -0.652 1.00 0.00 C ATOM 1908 C PHE A 119 -7.404 -2.790 -1.936 1.00 0.00 C ATOM 1909 O PHE A 119 -7.750 -1.607 -1.899 1.00 0.00 O ATOM 1910 CB PHE A 119 -5.583 -3.953 -0.589 1.00 0.00 C ATOM 1911 CG PHE A 119 -4.602 -2.844 -0.922 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -4.191 -2.635 -2.252 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -4.074 -2.032 0.096 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -3.281 -1.610 -2.561 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -3.168 -1.005 -0.210 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.770 -0.790 -1.540 1.00 0.00 C ATOM 0 H PHE A 119 -7.319 -5.631 -0.433 1.00 0.00 H new ATOM 0 HA PHE A 119 -7.305 -2.883 0.166 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.364 -4.319 0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.413 -4.783 -1.275 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.577 -3.266 -3.039 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.368 -2.200 1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.974 -1.452 -3.584 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -2.776 -0.379 0.578 1.00 0.00 H new ATOM 0 HZ PHE A 119 -2.075 0.002 -1.777 1.00 0.00 H new ATOM 1926 N ASN A 120 -7.364 -3.482 -3.074 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.667 -2.930 -4.395 1.00 0.00 C ATOM 1928 C ASN A 120 -9.145 -2.515 -4.561 1.00 0.00 C ATOM 1929 O ASN A 120 -9.443 -1.531 -5.243 1.00 0.00 O ATOM 1930 CB ASN A 120 -7.245 -3.968 -5.461 1.00 0.00 C ATOM 1931 CG ASN A 120 -7.962 -5.316 -5.362 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -8.616 -5.649 -4.390 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -7.873 -6.151 -6.367 1.00 0.00 N ATOM 0 H ASN A 120 -7.113 -4.470 -3.104 1.00 0.00 H new ATOM 0 HA ASN A 120 -7.102 -2.007 -4.520 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -7.427 -3.547 -6.450 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.171 -4.136 -5.379 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.345 -7.054 -6.323 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -7.332 -5.898 -7.194 1.00 0.00 H new ATOM 1940 N VAL A 121 -10.076 -3.243 -3.941 1.00 0.00 N ATOM 1941 CA VAL A 121 -11.521 -2.971 -4.000 1.00 0.00 C ATOM 1942 C VAL A 121 -11.891 -1.774 -3.118 1.00 0.00 C ATOM 1943 O VAL A 121 -12.658 -0.912 -3.544 1.00 0.00 O ATOM 1944 CB VAL A 121 -12.326 -4.244 -3.657 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -13.820 -3.970 -3.437 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -12.215 -5.258 -4.803 1.00 0.00 C ATOM 0 H VAL A 121 -9.845 -4.057 -3.371 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.788 -2.694 -5.020 1.00 0.00 H new ATOM 0 HB VAL A 121 -11.899 -4.628 -2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -14.330 -4.904 -3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -13.944 -3.269 -2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -14.249 -3.543 -4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -12.785 -6.153 -4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -12.612 -4.818 -5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -11.169 -5.525 -4.953 1.00 0.00 H new ATOM 1956 N SER A 122 -11.292 -1.654 -1.931 1.00 0.00 N ATOM 1957 CA SER A 122 -11.553 -0.543 -1.002 1.00 0.00 C ATOM 1958 C SER A 122 -11.068 0.809 -1.543 1.00 0.00 C ATOM 1959 O SER A 122 -11.669 1.840 -1.240 1.00 0.00 O ATOM 1960 CB SER A 122 -10.911 -0.826 0.361 1.00 0.00 C ATOM 1961 OG SER A 122 -11.415 -2.035 0.894 1.00 0.00 O ATOM 0 H SER A 122 -10.608 -2.326 -1.582 1.00 0.00 H new ATOM 0 HA SER A 122 -12.635 -0.473 -0.890 1.00 0.00 H new ATOM 0 HB2 SER A 122 -9.828 -0.890 0.255 1.00 0.00 H new ATOM 0 HB3 SER A 122 -11.117 -0.004 1.046 1.00 0.00 H new ATOM 0 HG SER A 122 -10.967 -2.794 0.464 1.00 0.00 H new ATOM 1967 N LEU A 123 -10.027 0.812 -2.388 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.568 2.001 -3.114 1.00 0.00 C ATOM 1969 C LEU A 123 -10.490 2.346 -4.294 1.00 0.00 C ATOM 1970 O LEU A 123 -10.993 3.469 -4.374 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.111 1.796 -3.569 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.081 1.794 -2.423 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -5.720 1.353 -2.961 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -6.920 3.181 -1.792 1.00 0.00 C ATOM 0 H LEU A 123 -9.475 -0.022 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.607 2.856 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.041 0.850 -4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.849 2.584 -4.275 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.445 1.105 -1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -4.991 1.352 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.801 0.349 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -5.395 2.043 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.184 3.132 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.584 3.889 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.877 3.510 -1.388 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.768 1.395 -5.195 1.00 0.00 N ATOM 1987 CA GLN A 124 -11.567 1.678 -6.399 1.00 0.00 C ATOM 1988 C GLN A 124 -13.033 2.032 -6.084 1.00 0.00 C ATOM 1989 O GLN A 124 -13.648 2.810 -6.811 1.00 0.00 O ATOM 1990 CB GLN A 124 -11.430 0.529 -7.415 1.00 0.00 C ATOM 1991 CG GLN A 124 -12.309 -0.690 -7.115 1.00 0.00 C ATOM 1992 CD GLN A 124 -11.909 -1.901 -7.952 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -12.583 -2.300 -8.893 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -10.793 -2.529 -7.643 1.00 0.00 N ATOM 0 H GLN A 124 -10.455 0.428 -5.116 1.00 0.00 H new ATOM 0 HA GLN A 124 -11.160 2.578 -6.859 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.679 0.906 -8.407 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.388 0.211 -7.447 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.234 -0.940 -6.057 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -13.352 -0.442 -7.311 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.225 -2.204 -6.861 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -10.497 -3.340 -8.186 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.582 1.539 -4.967 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.933 1.861 -4.499 1.00 0.00 C ATOM 2005 C ASP A 125 -14.986 3.169 -3.685 1.00 0.00 C ATOM 2006 O ASP A 125 -16.072 3.638 -3.344 1.00 0.00 O ATOM 2007 CB ASP A 125 -15.509 0.660 -3.729 1.00 0.00 C ATOM 2008 CG ASP A 125 -16.992 0.833 -3.346 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -17.341 0.626 -2.160 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -17.820 1.165 -4.230 1.00 0.00 O ATOM 0 H ASP A 125 -13.088 0.892 -4.352 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.562 2.047 -5.369 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.401 -0.238 -4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -14.923 0.504 -2.823 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.845 3.824 -3.435 1.00 0.00 N ATOM 2016 CA HIS A 126 -13.841 5.253 -3.106 1.00 0.00 C ATOM 2017 C HIS A 126 -13.748 6.126 -4.357 1.00 0.00 C ATOM 2018 O HIS A 126 -14.426 7.146 -4.438 1.00 0.00 O ATOM 2019 CB HIS A 126 -12.739 5.595 -2.093 1.00 0.00 C ATOM 2020 CG HIS A 126 -12.873 7.015 -1.593 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -13.691 7.418 -0.533 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -12.343 8.127 -2.186 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -13.643 8.762 -0.518 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -12.849 9.213 -1.504 1.00 0.00 N ATOM 0 H HIS A 126 -12.922 3.391 -3.454 1.00 0.00 H new ATOM 0 HA HIS A 126 -14.798 5.476 -2.634 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -12.789 4.905 -1.251 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.762 5.461 -2.557 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.662 8.150 -3.024 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -14.168 9.390 0.187 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -12.654 10.192 -1.712 1.00 0.00 H new ATOM 2032 N PHE A 127 -12.955 5.724 -5.353 1.00 0.00 N ATOM 2033 CA PHE A 127 -12.652 6.557 -6.519 1.00 0.00 C ATOM 2034 C PHE A 127 -13.581 6.380 -7.730 1.00 0.00 C ATOM 2035 O PHE A 127 -13.384 7.079 -8.726 1.00 0.00 O ATOM 2036 CB PHE A 127 -11.172 6.389 -6.888 1.00 0.00 C ATOM 2037 CG PHE A 127 -10.203 7.011 -5.900 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -10.186 8.406 -5.707 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -9.268 6.209 -5.222 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -9.204 8.997 -4.896 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -8.263 6.799 -4.440 1.00 0.00 C ATOM 2042 CZ PHE A 127 -8.224 8.195 -4.289 1.00 0.00 C ATOM 0 H PHE A 127 -12.504 4.809 -5.374 1.00 0.00 H new ATOM 0 HA PHE A 127 -12.850 7.586 -6.218 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -10.951 5.325 -6.974 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -11.003 6.830 -7.870 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -10.932 9.024 -6.185 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -9.324 5.134 -5.303 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -9.202 10.066 -4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -7.521 6.181 -3.955 1.00 0.00 H new ATOM 0 HZ PHE A 127 -7.439 8.652 -3.705 1.00 0.00 H new ATOM 2052 N LYS A 128 -14.622 5.531 -7.673 1.00 0.00 N ATOM 2053 CA LYS A 128 -15.512 5.286 -8.831 1.00 0.00 C ATOM 2054 C LYS A 128 -16.216 6.537 -9.391 1.00 0.00 C ATOM 2055 O LYS A 128 -16.624 6.542 -10.551 1.00 0.00 O ATOM 2056 CB LYS A 128 -16.518 4.145 -8.578 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.728 4.479 -7.686 1.00 0.00 C ATOM 2058 CD LYS A 128 -17.484 4.144 -6.215 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.709 4.532 -5.382 1.00 0.00 C ATOM 2060 NZ LYS A 128 -18.721 3.816 -4.084 1.00 0.00 N ATOM 0 H LYS A 128 -14.871 5.001 -6.838 1.00 0.00 H new ATOM 0 HA LYS A 128 -14.827 4.966 -9.616 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -16.891 3.799 -9.542 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -15.981 3.311 -8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -17.962 5.540 -7.779 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -18.599 3.928 -8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -17.281 3.079 -6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.604 4.676 -5.853 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.708 5.608 -5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.618 4.300 -5.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -19.514 4.160 -3.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.831 2.796 -4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.826 3.990 -3.583 1.00 0.00 H new