USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=27 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 -151:sc= 0.205 USER MOD Set 1.2: A 126 HIS : no HD1:sc= 0.861 K(o=1.1,f=-2.9!) USER MOD Set 2.1: A 50 THR OG1 : rot 9:sc= 0.972 USER MOD Set 2.2: A 59 LYS NZ :NH3+ -174:sc= 1.09 (180deg=0) USER MOD Set 3.1: A 44 THR OG1 : rot -160:sc= 0.834 USER MOD Set 3.2: A 63 LYS NZ :NH3+ 144:sc= 0.943 (180deg=0) USER MOD Set 4.1: A 9 SER OG : rot 180:sc= 0.98 USER MOD Set 4.2: A 52 LYS NZ :NH3+ -146:sc= 1.14 (180deg=0) USER MOD Single : A 12 CYS SG : rot 88:sc= -0.688 USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= 2.16 (180deg=1.69) USER MOD Single : A 18 SER OG : rot 180:sc=-0.000668 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.19) USER MOD Single : A 40 GLN : amide:sc= -1.48 K(o=-1.5,f=-7.9!) 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 71 GLN : amide:sc= 0.298 K(o=0.3,f=-0.73) USER MOD Single : A 76 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.19) 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= 0.639 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 30:sc= 0.313 USER MOD Single : A 97 GLN : amide:sc= 0.801 K(o=0.8,f=0) USER MOD Single : A 103 SER OG : rot -32:sc= 0.639 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.292 K(o=-0.29,f=-2.1) USER MOD Single : A 122 SER OG : rot -83:sc= 1.11 USER MOD Single : A 124 GLN : amide:sc= 0.838 K(o=0.84,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 186 N SER A 9 -11.917 9.112 6.758 1.00 0.00 N ATOM 187 CA SER A 9 -12.922 8.075 6.533 1.00 0.00 C ATOM 188 C SER A 9 -12.210 6.741 6.306 1.00 0.00 C ATOM 189 O SER A 9 -11.533 6.573 5.293 1.00 0.00 O ATOM 190 CB SER A 9 -13.775 8.407 5.305 1.00 0.00 C ATOM 191 OG SER A 9 -14.612 9.531 5.536 1.00 0.00 O ATOM 0 HA SER A 9 -13.574 8.016 7.404 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.125 8.606 4.453 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.388 7.544 5.043 1.00 0.00 H new ATOM 0 HG SER A 9 -15.141 9.716 4.732 1.00 0.00 H new ATOM 197 N VAL A 10 -12.316 5.795 7.239 1.00 0.00 N ATOM 198 CA VAL A 10 -11.707 4.451 7.110 1.00 0.00 C ATOM 199 C VAL A 10 -12.377 3.602 6.014 1.00 0.00 C ATOM 200 O VAL A 10 -13.586 3.700 5.790 1.00 0.00 O ATOM 201 CB VAL A 10 -11.642 3.756 8.484 1.00 0.00 C ATOM 202 CG1 VAL A 10 -13.013 3.336 9.026 1.00 0.00 C ATOM 203 CG2 VAL A 10 -10.717 2.538 8.467 1.00 0.00 C ATOM 0 H VAL A 10 -12.826 5.930 8.112 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.679 4.572 6.769 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.236 4.513 9.155 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.889 2.854 9.996 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.646 4.217 9.137 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.481 2.639 8.331 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.701 2.079 9.456 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.081 1.815 7.737 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.709 2.851 8.196 1.00 0.00 H new ATOM 213 N LEU A 11 -11.581 2.780 5.318 1.00 0.00 N ATOM 214 CA LEU A 11 -11.977 2.000 4.133 1.00 0.00 C ATOM 215 C LEU A 11 -11.594 0.513 4.251 1.00 0.00 C ATOM 216 O LEU A 11 -12.382 -0.353 3.871 1.00 0.00 O ATOM 217 CB LEU A 11 -11.323 2.614 2.876 1.00 0.00 C ATOM 218 CG LEU A 11 -11.772 4.037 2.495 1.00 0.00 C ATOM 219 CD1 LEU A 11 -10.986 4.504 1.269 1.00 0.00 C ATOM 220 CD2 LEU A 11 -13.261 4.108 2.150 1.00 0.00 C ATOM 0 H LEU A 11 -10.604 2.633 5.573 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.063 2.044 4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.243 2.625 3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.523 1.955 2.031 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.586 4.672 3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.301 5.511 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.921 4.507 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.175 3.827 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.525 5.133 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.470 3.452 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.849 3.790 3.010 1.00 0.00 H new ATOM 232 N CYS A 12 -10.411 0.212 4.798 1.00 0.00 N ATOM 233 CA CYS A 12 -9.952 -1.149 5.099 1.00 0.00 C ATOM 234 C CYS A 12 -8.956 -1.131 6.262 1.00 0.00 C ATOM 235 O CYS A 12 -8.027 -0.323 6.273 1.00 0.00 O ATOM 236 CB CYS A 12 -9.287 -1.754 3.855 1.00 0.00 C ATOM 237 SG CYS A 12 -8.883 -3.506 4.110 1.00 0.00 S ATOM 0 H CYS A 12 -9.728 0.927 5.050 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.811 -1.756 5.384 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.953 -1.653 2.998 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.379 -1.200 3.619 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.902 -4.240 3.774 1.00 0.00 H new ATOM 243 N VAL A 13 -9.119 -2.047 7.216 1.00 0.00 N ATOM 244 CA VAL A 13 -8.161 -2.290 8.307 1.00 0.00 C ATOM 245 C VAL A 13 -7.858 -3.783 8.402 1.00 0.00 C ATOM 246 O VAL A 13 -8.782 -4.593 8.513 1.00 0.00 O ATOM 247 CB VAL A 13 -8.681 -1.740 9.651 1.00 0.00 C ATOM 248 CG1 VAL A 13 -7.753 -2.066 10.831 1.00 0.00 C ATOM 249 CG2 VAL A 13 -8.820 -0.215 9.597 1.00 0.00 C ATOM 0 H VAL A 13 -9.936 -2.656 7.258 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.238 -1.756 8.082 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.645 -2.223 9.808 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.172 -1.653 11.748 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.657 -3.147 10.930 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.770 -1.629 10.652 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.188 0.151 10.555 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.848 0.232 9.387 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.523 0.059 8.810 1.00 0.00 H new ATOM 259 N LYS A 14 -6.567 -4.146 8.383 1.00 0.00 N ATOM 260 CA LYS A 14 -6.083 -5.521 8.603 1.00 0.00 C ATOM 261 C LYS A 14 -4.932 -5.576 9.621 1.00 0.00 C ATOM 262 O LYS A 14 -4.073 -4.692 9.605 1.00 0.00 O ATOM 263 CB LYS A 14 -5.702 -6.208 7.277 1.00 0.00 C ATOM 264 CG LYS A 14 -6.910 -6.291 6.335 1.00 0.00 C ATOM 265 CD LYS A 14 -6.640 -7.183 5.119 1.00 0.00 C ATOM 266 CE LYS A 14 -7.774 -7.035 4.098 1.00 0.00 C ATOM 267 NZ LYS A 14 -9.059 -7.591 4.591 1.00 0.00 N ATOM 0 H LYS A 14 -5.814 -3.480 8.211 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.912 -6.082 9.035 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.897 -5.654 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.323 -7.210 7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.769 -6.678 6.883 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.173 -5.289 5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.689 -6.910 4.661 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.555 -8.223 5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.907 -5.980 3.858 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.494 -7.540 3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.844 -7.196 4.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.050 -8.626 4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.184 -7.341 5.593 1.00 0.00 H new ATOM 281 N PRO A 15 -4.879 -6.605 10.487 1.00 0.00 N ATOM 282 CA PRO A 15 -3.891 -6.715 11.566 1.00 0.00 C ATOM 283 C PRO A 15 -2.479 -7.119 11.114 1.00 0.00 C ATOM 284 O PRO A 15 -1.539 -7.007 11.901 1.00 0.00 O ATOM 285 CB PRO A 15 -4.449 -7.793 12.499 1.00 0.00 C ATOM 286 CG PRO A 15 -5.242 -8.693 11.553 1.00 0.00 C ATOM 287 CD PRO A 15 -5.844 -7.694 10.578 1.00 0.00 C ATOM 0 HA PRO A 15 -3.760 -5.736 12.027 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.653 -8.341 13.004 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.084 -7.365 13.275 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.601 -9.417 11.049 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.010 -9.259 12.080 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.013 -8.151 9.603 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.810 -7.333 10.932 1.00 0.00 H new ATOM 295 N ASP A 16 -2.327 -7.633 9.890 1.00 0.00 N ATOM 296 CA ASP A 16 -1.090 -8.249 9.407 1.00 0.00 C ATOM 297 C ASP A 16 -0.741 -7.781 7.988 1.00 0.00 C ATOM 298 O ASP A 16 -1.387 -8.159 7.007 1.00 0.00 O ATOM 299 CB ASP A 16 -1.237 -9.776 9.476 1.00 0.00 C ATOM 300 CG ASP A 16 0.054 -10.498 9.057 1.00 0.00 C ATOM 301 OD1 ASP A 16 1.114 -10.242 9.677 1.00 0.00 O ATOM 302 OD2 ASP A 16 0.008 -11.339 8.129 1.00 0.00 O ATOM 0 H ASP A 16 -3.074 -7.632 9.196 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.263 -7.938 10.045 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.503 -10.069 10.492 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.055 -10.091 8.828 1.00 0.00 H new ATOM 307 N VAL A 17 0.299 -6.955 7.893 1.00 0.00 N ATOM 308 CA VAL A 17 0.924 -6.509 6.639 1.00 0.00 C ATOM 309 C VAL A 17 2.436 -6.338 6.832 1.00 0.00 C ATOM 310 O VAL A 17 2.898 -5.939 7.907 1.00 0.00 O ATOM 311 CB VAL A 17 0.229 -5.239 6.099 1.00 0.00 C ATOM 312 CG1 VAL A 17 0.467 -3.986 6.949 1.00 0.00 C ATOM 313 CG2 VAL A 17 0.639 -4.922 4.658 1.00 0.00 C ATOM 0 H VAL A 17 0.751 -6.560 8.717 1.00 0.00 H new ATOM 0 HA VAL A 17 0.789 -7.274 5.875 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.832 -5.485 6.144 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.054 -3.139 6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.090 -4.154 7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.535 -3.773 6.992 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.125 -4.021 4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.716 -4.763 4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.368 -5.756 4.011 1.00 0.00 H new ATOM 323 N SER A 18 3.211 -6.655 5.793 1.00 0.00 N ATOM 324 CA SER A 18 4.681 -6.718 5.848 1.00 0.00 C ATOM 325 C SER A 18 5.316 -5.848 4.766 1.00 0.00 C ATOM 326 O SER A 18 4.950 -5.975 3.599 1.00 0.00 O ATOM 327 CB SER A 18 5.158 -8.165 5.680 1.00 0.00 C ATOM 328 OG SER A 18 4.596 -9.009 6.674 1.00 0.00 O ATOM 0 H SER A 18 2.833 -6.880 4.873 1.00 0.00 H new ATOM 0 HA SER A 18 4.990 -6.341 6.823 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.881 -8.529 4.691 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.246 -8.202 5.740 1.00 0.00 H new ATOM 0 HG SER A 18 4.915 -9.926 6.543 1.00 0.00 H new ATOM 334 N VAL A 19 6.262 -4.984 5.146 1.00 0.00 N ATOM 335 CA VAL A 19 6.979 -4.048 4.261 1.00 0.00 C ATOM 336 C VAL A 19 8.314 -4.601 3.799 1.00 0.00 C ATOM 337 O VAL A 19 9.118 -5.100 4.590 1.00 0.00 O ATOM 338 CB VAL A 19 7.163 -2.658 4.901 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.079 -1.719 4.094 1.00 0.00 C ATOM 340 CG2 VAL A 19 5.811 -1.952 5.022 1.00 0.00 C ATOM 0 H VAL A 19 6.565 -4.911 6.117 1.00 0.00 H new ATOM 0 HA VAL A 19 6.345 -3.927 3.382 1.00 0.00 H new ATOM 0 HB VAL A 19 7.623 -2.849 5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.160 -0.761 4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.069 -2.166 4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.657 -1.564 3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.952 -0.971 5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.372 -1.834 4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.144 -2.547 5.646 1.00 0.00 H new ATOM 350 N TYR A 20 8.572 -4.403 2.510 1.00 0.00 N ATOM 351 CA TYR A 20 9.843 -4.660 1.858 1.00 0.00 C ATOM 352 C TYR A 20 10.257 -3.430 1.049 1.00 0.00 C ATOM 353 O TYR A 20 9.501 -2.932 0.210 1.00 0.00 O ATOM 354 CB TYR A 20 9.742 -5.898 0.955 1.00 0.00 C ATOM 355 CG TYR A 20 8.761 -6.964 1.404 1.00 0.00 C ATOM 356 CD1 TYR A 20 7.487 -7.048 0.813 1.00 0.00 C ATOM 357 CD2 TYR A 20 9.116 -7.851 2.431 1.00 0.00 C ATOM 358 CE1 TYR A 20 6.574 -8.035 1.233 1.00 0.00 C ATOM 359 CE2 TYR A 20 8.211 -8.841 2.853 1.00 0.00 C ATOM 360 CZ TYR A 20 6.938 -8.937 2.257 1.00 0.00 C ATOM 361 OH TYR A 20 6.079 -9.909 2.671 1.00 0.00 O ATOM 0 H TYR A 20 7.867 -4.043 1.867 1.00 0.00 H new ATOM 0 HA TYR A 20 10.603 -4.858 2.614 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.462 -5.572 -0.047 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.731 -6.350 0.878 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.208 -6.353 0.035 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.086 -7.773 2.899 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.599 -8.102 0.774 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.492 -9.530 3.636 1.00 0.00 H new ATOM 0 HH TYR A 20 6.500 -10.436 3.382 1.00 0.00 H new ATOM 371 N ARG A 21 11.478 -2.949 1.264 1.00 0.00 N ATOM 372 CA ARG A 21 12.134 -1.981 0.373 1.00 0.00 C ATOM 373 C ARG A 21 12.497 -2.669 -0.954 1.00 0.00 C ATOM 374 O ARG A 21 13.170 -3.702 -0.959 1.00 0.00 O ATOM 375 CB ARG A 21 13.342 -1.360 1.092 1.00 0.00 C ATOM 376 CG ARG A 21 13.836 -0.105 0.360 1.00 0.00 C ATOM 377 CD ARG A 21 15.000 0.547 1.113 1.00 0.00 C ATOM 378 NE ARG A 21 15.486 1.753 0.414 1.00 0.00 N ATOM 379 CZ ARG A 21 16.442 2.569 0.821 1.00 0.00 C ATOM 380 NH1 ARG A 21 16.774 3.605 0.104 1.00 0.00 N ATOM 381 NH2 ARG A 21 17.088 2.381 1.938 1.00 0.00 N ATOM 0 H ARG A 21 12.049 -3.218 2.065 1.00 0.00 H new ATOM 0 HA ARG A 21 11.461 -1.160 0.126 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.068 -1.103 2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.148 -2.091 1.152 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.153 -0.369 -0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.018 0.608 0.260 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.680 0.813 2.121 1.00 0.00 H new ATOM 0 HD3 ARG A 21 15.815 -0.169 1.216 1.00 0.00 H new ATOM 0 HE ARG A 21 15.038 1.979 -0.474 1.00 0.00 H new ATOM 0 HH11 ARG A 21 16.295 3.790 -0.777 1.00 0.00 H new ATOM 0 HH12 ARG A 21 17.513 4.231 0.424 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.861 1.582 2.530 1.00 0.00 H new ATOM 0 HH22 ARG A 21 17.820 3.033 2.219 1.00 0.00 H new ATOM 395 N ILE A 22 12.017 -2.119 -2.070 1.00 0.00 N ATOM 396 CA ILE A 22 12.039 -2.758 -3.401 1.00 0.00 C ATOM 397 C ILE A 22 13.196 -2.272 -4.300 1.00 0.00 C ATOM 398 O ILE A 22 13.677 -1.147 -4.120 1.00 0.00 O ATOM 399 CB ILE A 22 10.681 -2.566 -4.119 1.00 0.00 C ATOM 400 CG1 ILE A 22 10.360 -1.076 -4.370 1.00 0.00 C ATOM 401 CG2 ILE A 22 9.550 -3.270 -3.353 1.00 0.00 C ATOM 402 CD1 ILE A 22 9.026 -0.880 -5.083 1.00 0.00 C ATOM 0 H ILE A 22 11.590 -1.193 -2.081 1.00 0.00 H new ATOM 0 HA ILE A 22 12.213 -3.820 -3.225 1.00 0.00 H new ATOM 0 HB ILE A 22 10.763 -3.035 -5.100 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.341 -0.546 -3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.156 -0.631 -4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.607 -3.120 -3.878 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.764 -4.337 -3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.476 -2.853 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.848 0.184 -5.235 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.052 -1.385 -6.048 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.224 -1.299 -4.475 1.00 0.00 H new ATOM 532 N TYR A 31 8.061 -5.427 -11.045 1.00 0.00 N ATOM 533 CA TYR A 31 7.894 -5.883 -9.670 1.00 0.00 C ATOM 534 C TYR A 31 7.240 -7.270 -9.704 1.00 0.00 C ATOM 535 O TYR A 31 6.131 -7.388 -10.209 1.00 0.00 O ATOM 536 CB TYR A 31 7.003 -4.888 -8.927 1.00 0.00 C ATOM 537 CG TYR A 31 7.509 -3.464 -8.796 1.00 0.00 C ATOM 538 CD1 TYR A 31 8.845 -3.105 -9.078 1.00 0.00 C ATOM 539 CD2 TYR A 31 6.603 -2.488 -8.346 1.00 0.00 C ATOM 540 CE1 TYR A 31 9.278 -1.792 -8.827 1.00 0.00 C ATOM 541 CE2 TYR A 31 7.021 -1.160 -8.167 1.00 0.00 C ATOM 542 CZ TYR A 31 8.367 -0.809 -8.383 1.00 0.00 C ATOM 543 OH TYR A 31 8.779 0.466 -8.144 1.00 0.00 O ATOM 0 HA TYR A 31 8.853 -5.947 -9.157 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.037 -4.858 -9.432 1.00 0.00 H new ATOM 0 HB3 TYR A 31 6.826 -5.277 -7.924 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.530 -3.835 -9.484 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.579 -2.761 -8.137 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.316 -1.533 -8.975 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.309 -0.407 -7.863 1.00 0.00 H new ATOM 0 HH TYR A 31 8.017 1.006 -7.846 1.00 0.00 H new ATOM 553 N ARG A 32 7.878 -8.325 -9.188 1.00 0.00 N ATOM 554 CA ARG A 32 7.367 -9.717 -9.289 1.00 0.00 C ATOM 555 C ARG A 32 7.145 -10.416 -7.955 1.00 0.00 C ATOM 556 O ARG A 32 7.082 -11.639 -7.913 1.00 0.00 O ATOM 557 CB ARG A 32 8.172 -10.571 -10.295 1.00 0.00 C ATOM 558 CG ARG A 32 9.684 -10.715 -10.068 1.00 0.00 C ATOM 559 CD ARG A 32 10.471 -9.528 -10.636 1.00 0.00 C ATOM 560 NE ARG A 32 11.907 -9.838 -10.747 1.00 0.00 N ATOM 561 CZ ARG A 32 12.594 -10.181 -11.817 1.00 0.00 C ATOM 562 NH1 ARG A 32 13.842 -10.503 -11.659 1.00 0.00 N ATOM 563 NH2 ARG A 32 12.088 -10.207 -13.017 1.00 0.00 N ATOM 0 H ARG A 32 8.763 -8.250 -8.687 1.00 0.00 H new ATOM 0 HA ARG A 32 6.363 -9.612 -9.699 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.739 -11.571 -10.306 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.022 -10.148 -11.288 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.883 -10.802 -9.000 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.033 -11.637 -10.534 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.077 -9.265 -11.618 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.334 -8.658 -9.994 1.00 0.00 H new ATOM 0 HE ARG A 32 12.440 -9.779 -9.879 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.259 -10.485 -10.729 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.405 -10.774 -12.465 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.111 -9.953 -13.164 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.669 -10.481 -13.809 1.00 0.00 H new ATOM 577 N ALA A 33 7.027 -9.635 -6.883 1.00 0.00 N ATOM 578 CA ALA A 33 6.994 -10.038 -5.473 1.00 0.00 C ATOM 579 C ALA A 33 8.217 -10.855 -4.985 1.00 0.00 C ATOM 580 O ALA A 33 8.834 -10.503 -3.983 1.00 0.00 O ATOM 581 CB ALA A 33 5.648 -10.718 -5.220 1.00 0.00 C ATOM 0 H ALA A 33 6.945 -8.623 -6.983 1.00 0.00 H new ATOM 0 HA ALA A 33 7.082 -9.144 -4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.589 -11.032 -4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.841 -10.018 -5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.554 -11.590 -5.867 1.00 0.00 H new ATOM 587 N SER A 34 8.630 -11.894 -5.715 1.00 0.00 N ATOM 588 CA SER A 34 9.740 -12.801 -5.388 1.00 0.00 C ATOM 589 C SER A 34 11.134 -12.157 -5.431 1.00 0.00 C ATOM 590 O SER A 34 12.089 -12.723 -4.898 1.00 0.00 O ATOM 591 CB SER A 34 9.716 -14.012 -6.329 1.00 0.00 C ATOM 592 OG SER A 34 8.480 -14.703 -6.221 1.00 0.00 O ATOM 0 H SER A 34 8.178 -12.140 -6.596 1.00 0.00 H new ATOM 0 HA SER A 34 9.576 -13.097 -4.352 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.867 -13.684 -7.357 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.538 -14.685 -6.086 1.00 0.00 H new ATOM 0 HG SER A 34 8.481 -15.472 -6.829 1.00 0.00 H new ATOM 598 N ASP A 35 11.268 -10.972 -6.038 1.00 0.00 N ATOM 599 CA ASP A 35 12.504 -10.173 -6.006 1.00 0.00 C ATOM 600 C ASP A 35 12.663 -9.383 -4.689 1.00 0.00 C ATOM 601 O ASP A 35 13.754 -8.903 -4.373 1.00 0.00 O ATOM 602 CB ASP A 35 12.540 -9.232 -7.222 1.00 0.00 C ATOM 603 CG ASP A 35 13.919 -9.232 -7.901 1.00 0.00 C ATOM 604 OD1 ASP A 35 14.066 -9.954 -8.917 1.00 0.00 O ATOM 605 OD2 ASP A 35 14.837 -8.509 -7.453 1.00 0.00 O ATOM 0 H ASP A 35 10.516 -10.535 -6.571 1.00 0.00 H new ATOM 0 HA ASP A 35 13.348 -10.861 -6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.780 -9.538 -7.941 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.290 -8.219 -6.906 1.00 0.00 H new ATOM 610 N TRP A 36 11.582 -9.239 -3.913 1.00 0.00 N ATOM 611 CA TRP A 36 11.545 -8.530 -2.643 1.00 0.00 C ATOM 612 C TRP A 36 11.954 -9.451 -1.480 1.00 0.00 C ATOM 613 O TRP A 36 12.052 -10.676 -1.611 1.00 0.00 O ATOM 614 CB TRP A 36 10.136 -7.956 -2.418 1.00 0.00 C ATOM 615 CG TRP A 36 9.453 -7.187 -3.521 1.00 0.00 C ATOM 616 CD1 TRP A 36 9.999 -6.688 -4.660 1.00 0.00 C ATOM 617 CD2 TRP A 36 8.052 -6.777 -3.551 1.00 0.00 C ATOM 618 NE1 TRP A 36 9.036 -6.001 -5.382 1.00 0.00 N ATOM 619 CE2 TRP A 36 7.835 -5.979 -4.711 1.00 0.00 C ATOM 620 CE3 TRP A 36 6.947 -6.983 -2.696 1.00 0.00 C ATOM 621 CZ2 TRP A 36 6.608 -5.360 -4.975 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.708 -6.365 -2.949 1.00 0.00 C ATOM 623 CH2 TRP A 36 5.541 -5.551 -4.082 1.00 0.00 C ATOM 0 H TRP A 36 10.676 -9.632 -4.169 1.00 0.00 H new ATOM 0 HA TRP A 36 12.263 -7.711 -2.677 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.485 -8.789 -2.151 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.187 -7.300 -1.549 1.00 0.00 H new ATOM 0 HD1 TRP A 36 11.030 -6.809 -4.959 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.197 -5.568 -6.292 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.054 -7.625 -1.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.483 -4.744 -5.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.882 -6.517 -2.270 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.591 -5.072 -4.266 1.00 0.00 H new ATOM 634 N LYS A 37 12.164 -8.852 -0.307 1.00 0.00 N ATOM 635 CA LYS A 37 12.603 -9.504 0.933 1.00 0.00 C ATOM 636 C LYS A 37 11.484 -10.245 1.687 1.00 0.00 C ATOM 637 O LYS A 37 11.223 -10.001 2.866 1.00 0.00 O ATOM 638 CB LYS A 37 13.356 -8.489 1.804 1.00 0.00 C ATOM 639 CG LYS A 37 14.670 -8.043 1.142 1.00 0.00 C ATOM 640 CD LYS A 37 15.644 -7.354 2.107 1.00 0.00 C ATOM 641 CE LYS A 37 14.938 -6.341 3.010 1.00 0.00 C ATOM 642 NZ LYS A 37 15.902 -5.532 3.796 1.00 0.00 N ATOM 0 H LYS A 37 12.026 -7.848 -0.187 1.00 0.00 H new ATOM 0 HA LYS A 37 13.290 -10.305 0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.723 -7.619 1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.569 -8.931 2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.160 -8.913 0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.441 -7.361 0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.137 -8.106 2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.423 -6.849 1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.322 -5.680 2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.267 -6.867 3.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.387 -4.813 4.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.427 -6.152 4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.569 -5.063 3.151 1.00 0.00 H new ATOM 656 N LEU A 38 10.843 -11.191 1.002 1.00 0.00 N ATOM 657 CA LEU A 38 9.710 -11.981 1.504 1.00 0.00 C ATOM 658 C LEU A 38 10.018 -12.853 2.738 1.00 0.00 C ATOM 659 O LEU A 38 9.095 -13.246 3.454 1.00 0.00 O ATOM 660 CB LEU A 38 9.207 -12.886 0.368 1.00 0.00 C ATOM 661 CG LEU A 38 8.729 -12.152 -0.898 1.00 0.00 C ATOM 662 CD1 LEU A 38 8.122 -13.176 -1.859 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.682 -11.076 -0.610 1.00 0.00 C ATOM 0 H LEU A 38 11.104 -11.440 0.048 1.00 0.00 H new ATOM 0 HA LEU A 38 8.959 -11.262 1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.008 -13.571 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.385 -13.494 0.747 1.00 0.00 H new ATOM 0 HG LEU A 38 9.598 -11.654 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.779 -12.670 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.875 -13.918 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.279 -13.671 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.387 -10.596 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.809 -11.533 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.103 -10.330 0.064 1.00 0.00 H new ATOM 675 N ASP A 39 11.291 -13.160 3.000 1.00 0.00 N ATOM 676 CA ASP A 39 11.737 -13.947 4.161 1.00 0.00 C ATOM 677 C ASP A 39 12.178 -13.059 5.346 1.00 0.00 C ATOM 678 O ASP A 39 12.360 -13.541 6.466 1.00 0.00 O ATOM 679 CB ASP A 39 12.842 -14.912 3.704 1.00 0.00 C ATOM 680 CG ASP A 39 13.232 -15.933 4.788 1.00 0.00 C ATOM 681 OD1 ASP A 39 12.377 -16.770 5.168 1.00 0.00 O ATOM 682 OD2 ASP A 39 14.407 -15.936 5.230 1.00 0.00 O ATOM 0 H ASP A 39 12.060 -12.863 2.400 1.00 0.00 H new ATOM 0 HA ASP A 39 10.896 -14.524 4.544 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.507 -15.445 2.814 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.724 -14.338 3.419 1.00 0.00 H new ATOM 687 N GLN A 40 12.358 -11.758 5.095 1.00 0.00 N ATOM 688 CA GLN A 40 13.046 -10.809 5.970 1.00 0.00 C ATOM 689 C GLN A 40 12.523 -9.358 5.791 1.00 0.00 C ATOM 690 O GLN A 40 13.245 -8.502 5.267 1.00 0.00 O ATOM 691 CB GLN A 40 14.581 -10.979 5.793 1.00 0.00 C ATOM 692 CG GLN A 40 15.262 -10.724 4.427 1.00 0.00 C ATOM 693 CD GLN A 40 14.837 -11.633 3.267 1.00 0.00 C ATOM 694 OE1 GLN A 40 13.744 -11.590 2.737 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.665 -12.499 2.752 1.00 0.00 N ATOM 0 H GLN A 40 12.013 -11.321 4.240 1.00 0.00 H new ATOM 0 HA GLN A 40 12.819 -11.031 7.013 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.060 -10.319 6.516 1.00 0.00 H new ATOM 0 HB3 GLN A 40 14.824 -12.001 6.084 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.070 -9.691 4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 40 16.339 -10.823 4.560 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.604 -12.599 3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.374 -13.076 1.963 1.00 0.00 H new ATOM 704 N PRO A 41 11.276 -9.047 6.219 1.00 0.00 N ATOM 705 CA PRO A 41 10.692 -7.706 6.104 1.00 0.00 C ATOM 706 C PRO A 41 11.560 -6.609 6.732 1.00 0.00 C ATOM 707 O PRO A 41 12.203 -6.812 7.766 1.00 0.00 O ATOM 708 CB PRO A 41 9.323 -7.759 6.799 1.00 0.00 C ATOM 709 CG PRO A 41 8.963 -9.243 6.775 1.00 0.00 C ATOM 710 CD PRO A 41 10.318 -9.946 6.851 1.00 0.00 C ATOM 0 HA PRO A 41 10.610 -7.444 5.049 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.376 -7.376 7.818 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.582 -7.158 6.271 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.324 -9.514 7.615 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.424 -9.510 5.866 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.596 -10.146 7.886 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.288 -10.907 6.337 1.00 0.00 H new ATOM 718 N ASP A 42 11.518 -5.413 6.147 1.00 0.00 N ATOM 719 CA ASP A 42 12.093 -4.204 6.748 1.00 0.00 C ATOM 720 C ASP A 42 11.249 -3.711 7.936 1.00 0.00 C ATOM 721 O ASP A 42 11.784 -3.136 8.887 1.00 0.00 O ATOM 722 CB ASP A 42 12.219 -3.115 5.676 1.00 0.00 C ATOM 723 CG ASP A 42 13.261 -3.507 4.626 1.00 0.00 C ATOM 724 OD1 ASP A 42 14.476 -3.432 4.924 1.00 0.00 O ATOM 725 OD2 ASP A 42 12.871 -3.924 3.512 1.00 0.00 O ATOM 0 H ASP A 42 11.083 -5.251 5.239 1.00 0.00 H new ATOM 0 HA ASP A 42 13.083 -4.443 7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.253 -2.957 5.196 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.502 -2.171 6.141 1.00 0.00 H new ATOM 730 N TRP A 43 9.937 -3.977 7.898 1.00 0.00 N ATOM 731 CA TRP A 43 8.985 -3.719 8.987 1.00 0.00 C ATOM 732 C TRP A 43 7.745 -4.622 8.863 1.00 0.00 C ATOM 733 O TRP A 43 7.383 -5.037 7.760 1.00 0.00 O ATOM 734 CB TRP A 43 8.602 -2.230 8.956 1.00 0.00 C ATOM 735 CG TRP A 43 7.482 -1.793 9.848 1.00 0.00 C ATOM 736 CD1 TRP A 43 7.602 -1.263 11.087 1.00 0.00 C ATOM 737 CD2 TRP A 43 6.054 -1.783 9.548 1.00 0.00 C ATOM 738 NE1 TRP A 43 6.353 -0.901 11.558 1.00 0.00 N ATOM 739 CE2 TRP A 43 5.367 -1.154 10.627 1.00 0.00 C ATOM 740 CE3 TRP A 43 5.278 -2.234 8.460 1.00 0.00 C ATOM 741 CZ2 TRP A 43 3.986 -0.918 10.593 1.00 0.00 C ATOM 742 CZ3 TRP A 43 3.891 -1.988 8.414 1.00 0.00 C ATOM 743 CH2 TRP A 43 3.245 -1.328 9.473 1.00 0.00 C ATOM 0 H TRP A 43 9.493 -4.393 7.079 1.00 0.00 H new ATOM 0 HA TRP A 43 9.448 -3.953 9.945 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.487 -1.648 9.215 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.338 -1.970 7.931 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.530 -1.141 11.625 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.182 -0.497 12.479 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.752 -2.774 7.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.496 -0.426 11.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.319 -2.310 7.556 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.183 -1.137 9.426 1.00 0.00 H new ATOM 754 N THR A 44 7.060 -4.900 9.977 1.00 0.00 N ATOM 755 CA THR A 44 5.729 -5.535 9.996 1.00 0.00 C ATOM 756 C THR A 44 4.772 -4.818 10.945 1.00 0.00 C ATOM 757 O THR A 44 5.180 -4.285 11.981 1.00 0.00 O ATOM 758 CB THR A 44 5.774 -7.025 10.370 1.00 0.00 C ATOM 759 OG1 THR A 44 6.366 -7.241 11.635 1.00 0.00 O ATOM 760 CG2 THR A 44 6.538 -7.865 9.358 1.00 0.00 C ATOM 0 H THR A 44 7.417 -4.688 10.909 1.00 0.00 H new ATOM 0 HA THR A 44 5.363 -5.452 8.973 1.00 0.00 H new ATOM 0 HB THR A 44 4.729 -7.335 10.386 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.664 -8.172 11.702 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.536 -8.908 9.675 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.061 -7.782 8.382 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.566 -7.508 9.291 1.00 0.00 H new ATOM 768 N GLY A 45 3.481 -4.835 10.615 1.00 0.00 N ATOM 769 CA GLY A 45 2.443 -4.181 11.415 1.00 0.00 C ATOM 770 C GLY A 45 1.045 -4.304 10.815 1.00 0.00 C ATOM 771 O GLY A 45 0.687 -5.348 10.268 1.00 0.00 O ATOM 0 H GLY A 45 3.123 -5.304 9.783 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.440 -4.614 12.415 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.691 -3.125 11.525 1.00 0.00 H new ATOM 775 N ARG A 46 0.253 -3.236 10.950 1.00 0.00 N ATOM 776 CA ARG A 46 -1.168 -3.154 10.582 1.00 0.00 C ATOM 777 C ARG A 46 -1.398 -2.245 9.374 1.00 0.00 C ATOM 778 O ARG A 46 -0.711 -1.238 9.189 1.00 0.00 O ATOM 779 CB ARG A 46 -1.993 -2.654 11.780 1.00 0.00 C ATOM 780 CG ARG A 46 -1.819 -3.508 13.048 1.00 0.00 C ATOM 781 CD ARG A 46 -2.749 -3.060 14.183 1.00 0.00 C ATOM 782 NE ARG A 46 -2.345 -1.748 14.723 1.00 0.00 N ATOM 783 CZ ARG A 46 -2.831 -0.560 14.426 1.00 0.00 C ATOM 784 NH1 ARG A 46 -2.260 0.494 14.909 1.00 0.00 N ATOM 785 NH2 ARG A 46 -3.838 -0.345 13.634 1.00 0.00 N ATOM 0 H ARG A 46 0.601 -2.360 11.338 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.493 -4.157 10.304 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.708 -1.626 12.003 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.047 -2.640 11.504 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.017 -4.553 12.810 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.784 -3.449 13.384 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.774 -3.004 13.815 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.737 -3.803 14.980 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.595 -1.762 15.414 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.443 0.400 15.512 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.626 1.420 14.687 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.314 -1.130 13.190 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.153 0.609 13.456 1.00 0.00 H new ATOM 799 N LEU A 47 -2.415 -2.588 8.589 1.00 0.00 N ATOM 800 CA LEU A 47 -2.941 -1.811 7.467 1.00 0.00 C ATOM 801 C LEU A 47 -4.094 -0.913 7.936 1.00 0.00 C ATOM 802 O LEU A 47 -4.976 -1.385 8.655 1.00 0.00 O ATOM 803 CB LEU A 47 -3.429 -2.810 6.401 1.00 0.00 C ATOM 804 CG LEU A 47 -4.053 -2.173 5.145 1.00 0.00 C ATOM 805 CD1 LEU A 47 -3.024 -1.396 4.322 1.00 0.00 C ATOM 806 CD2 LEU A 47 -4.645 -3.280 4.280 1.00 0.00 C ATOM 0 H LEU A 47 -2.923 -3.462 8.724 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.169 -1.163 7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.587 -3.430 6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.164 -3.473 6.857 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.821 -1.470 5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.509 -0.965 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.598 -0.598 4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.230 -2.071 4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.091 -2.844 3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.858 -3.976 3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.410 -3.813 4.844 1.00 0.00 H new ATOM 818 N ARG A 48 -4.135 0.339 7.468 1.00 0.00 N ATOM 819 CA ARG A 48 -5.265 1.267 7.635 1.00 0.00 C ATOM 820 C ARG A 48 -5.440 2.143 6.391 1.00 0.00 C ATOM 821 O ARG A 48 -4.904 3.246 6.286 1.00 0.00 O ATOM 822 CB ARG A 48 -5.062 2.075 8.931 1.00 0.00 C ATOM 823 CG ARG A 48 -6.246 3.005 9.237 1.00 0.00 C ATOM 824 CD ARG A 48 -6.083 3.638 10.621 1.00 0.00 C ATOM 825 NE ARG A 48 -7.241 4.472 10.983 1.00 0.00 N ATOM 826 CZ ARG A 48 -8.378 4.102 11.535 1.00 0.00 C ATOM 827 NH1 ARG A 48 -9.249 5.020 11.819 1.00 0.00 N ATOM 828 NH2 ARG A 48 -8.667 2.862 11.814 1.00 0.00 N ATOM 0 H ARG A 48 -3.361 0.750 6.946 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.198 0.713 7.736 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.919 1.388 9.765 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.151 2.668 8.847 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.309 3.785 8.478 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.179 2.443 9.195 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.954 2.853 11.366 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.178 4.246 10.638 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.151 5.467 10.779 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.044 5.998 11.614 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.139 4.764 12.247 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.996 2.122 11.604 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.564 2.631 12.242 1.00 0.00 H new ATOM 842 N ILE A 49 -6.224 1.648 5.438 1.00 0.00 N ATOM 843 CA ILE A 49 -6.667 2.430 4.280 1.00 0.00 C ATOM 844 C ILE A 49 -7.765 3.384 4.742 1.00 0.00 C ATOM 845 O ILE A 49 -8.752 2.975 5.358 1.00 0.00 O ATOM 846 CB ILE A 49 -7.148 1.549 3.110 1.00 0.00 C ATOM 847 CG1 ILE A 49 -6.127 0.436 2.800 1.00 0.00 C ATOM 848 CG2 ILE A 49 -7.408 2.429 1.873 1.00 0.00 C ATOM 849 CD1 ILE A 49 -6.561 -0.461 1.643 1.00 0.00 C ATOM 0 H ILE A 49 -6.573 0.690 5.444 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.816 2.990 3.891 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.081 1.061 3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.165 0.889 2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.980 -0.174 3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.748 1.804 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.173 3.169 2.107 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.487 2.937 1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.803 -1.225 1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.509 -0.939 1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.681 0.140 0.742 1.00 0.00 H new ATOM 861 N THR A 50 -7.580 4.659 4.428 1.00 0.00 N ATOM 862 CA THR A 50 -8.445 5.784 4.792 1.00 0.00 C ATOM 863 C THR A 50 -8.592 6.740 3.604 1.00 0.00 C ATOM 864 O THR A 50 -7.911 6.591 2.591 1.00 0.00 O ATOM 865 CB THR A 50 -7.881 6.517 6.025 1.00 0.00 C ATOM 866 OG1 THR A 50 -6.478 6.606 6.017 1.00 0.00 O ATOM 867 CG2 THR A 50 -8.267 5.859 7.345 1.00 0.00 C ATOM 0 H THR A 50 -6.774 4.959 3.879 1.00 0.00 H new ATOM 0 HA THR A 50 -9.433 5.403 5.049 1.00 0.00 H new ATOM 0 HB THR A 50 -8.327 7.509 5.954 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.136 6.310 5.148 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.838 6.424 8.172 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.353 5.844 7.440 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.886 4.838 7.367 1.00 0.00 H new ATOM 875 N SER A 51 -9.495 7.718 3.682 1.00 0.00 N ATOM 876 CA SER A 51 -9.671 8.760 2.663 1.00 0.00 C ATOM 877 C SER A 51 -10.349 10.004 3.223 1.00 0.00 C ATOM 878 O SER A 51 -11.025 9.941 4.250 1.00 0.00 O ATOM 879 CB SER A 51 -10.491 8.194 1.497 1.00 0.00 C ATOM 880 OG SER A 51 -10.515 9.105 0.420 1.00 0.00 O ATOM 0 H SER A 51 -10.138 7.812 4.468 1.00 0.00 H new ATOM 0 HA SER A 51 -8.683 9.061 2.316 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.063 7.247 1.170 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.509 7.986 1.828 1.00 0.00 H new ATOM 0 HG SER A 51 -11.344 8.988 -0.089 1.00 0.00 H new ATOM 886 N LYS A 52 -10.194 11.145 2.550 1.00 0.00 N ATOM 887 CA LYS A 52 -11.098 12.283 2.690 1.00 0.00 C ATOM 888 C LYS A 52 -11.246 13.059 1.376 1.00 0.00 C ATOM 889 O LYS A 52 -10.277 13.567 0.810 1.00 0.00 O ATOM 890 CB LYS A 52 -10.625 13.154 3.855 1.00 0.00 C ATOM 891 CG LYS A 52 -11.686 14.144 4.353 1.00 0.00 C ATOM 892 CD LYS A 52 -12.999 13.536 4.883 1.00 0.00 C ATOM 893 CE LYS A 52 -12.767 12.621 6.094 1.00 0.00 C ATOM 894 NZ LYS A 52 -14.045 12.094 6.641 1.00 0.00 N ATOM 0 H LYS A 52 -9.433 11.305 1.890 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.102 11.926 2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.326 12.509 4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.739 13.709 3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.244 14.747 5.147 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.930 14.823 3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.682 14.338 5.161 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.481 12.968 4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.126 11.789 5.803 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.239 13.174 6.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.967 11.998 7.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.818 12.751 6.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.245 11.164 6.221 1.00 0.00 H new ATOM 908 N GLY A 53 -12.483 13.141 0.893 1.00 0.00 N ATOM 909 CA GLY A 53 -12.871 13.802 -0.346 1.00 0.00 C ATOM 910 C GLY A 53 -12.305 13.049 -1.541 1.00 0.00 C ATOM 911 O GLY A 53 -12.573 11.862 -1.736 1.00 0.00 O ATOM 0 H GLY A 53 -13.279 12.728 1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.958 13.849 -0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.507 14.829 -0.348 1.00 0.00 H new ATOM 915 N LYS A 54 -11.479 13.748 -2.313 1.00 0.00 N ATOM 916 CA LYS A 54 -10.789 13.241 -3.504 1.00 0.00 C ATOM 917 C LYS A 54 -9.360 12.751 -3.228 1.00 0.00 C ATOM 918 O LYS A 54 -8.603 12.517 -4.170 1.00 0.00 O ATOM 919 CB LYS A 54 -10.864 14.336 -4.572 1.00 0.00 C ATOM 920 CG LYS A 54 -12.295 14.520 -5.108 1.00 0.00 C ATOM 921 CD LYS A 54 -12.379 15.471 -6.309 1.00 0.00 C ATOM 922 CE LYS A 54 -11.948 16.901 -5.951 1.00 0.00 C ATOM 923 NZ LYS A 54 -12.091 17.821 -7.111 1.00 0.00 N ATOM 0 H LYS A 54 -11.260 14.726 -2.121 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.288 12.340 -3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.510 15.277 -4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.197 14.085 -5.397 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.695 13.548 -5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.929 14.901 -4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.747 15.094 -7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.401 15.486 -6.687 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.551 17.266 -5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.911 16.896 -5.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.791 18.778 -6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.497 17.485 -7.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.085 17.844 -7.415 1.00 0.00 H new ATOM 937 N THR A 55 -8.994 12.571 -1.957 1.00 0.00 N ATOM 938 CA THR A 55 -7.656 12.129 -1.544 1.00 0.00 C ATOM 939 C THR A 55 -7.740 10.923 -0.612 1.00 0.00 C ATOM 940 O THR A 55 -8.158 11.054 0.539 1.00 0.00 O ATOM 941 CB THR A 55 -6.882 13.265 -0.862 1.00 0.00 C ATOM 942 OG1 THR A 55 -6.940 14.452 -1.633 1.00 0.00 O ATOM 943 CG2 THR A 55 -5.405 12.897 -0.730 1.00 0.00 C ATOM 0 H THR A 55 -9.627 12.730 -1.173 1.00 0.00 H new ATOM 0 HA THR A 55 -7.118 11.836 -2.446 1.00 0.00 H new ATOM 0 HB THR A 55 -7.339 13.420 0.116 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.441 15.162 -1.178 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.869 13.712 -0.244 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.308 11.991 -0.131 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.983 12.724 -1.720 1.00 0.00 H new ATOM 951 N ALA A 56 -7.307 9.756 -1.091 1.00 0.00 N ATOM 952 CA ALA A 56 -7.152 8.557 -0.270 1.00 0.00 C ATOM 953 C ALA A 56 -5.773 8.515 0.404 1.00 0.00 C ATOM 954 O ALA A 56 -4.832 9.171 -0.040 1.00 0.00 O ATOM 955 CB ALA A 56 -7.460 7.304 -1.093 1.00 0.00 C ATOM 0 H ALA A 56 -7.052 9.616 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.878 8.589 0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.340 6.419 -0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.485 7.353 -1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.774 7.246 -1.938 1.00 0.00 H new ATOM 961 N TYR A 57 -5.658 7.735 1.474 1.00 0.00 N ATOM 962 CA TYR A 57 -4.492 7.628 2.343 1.00 0.00 C ATOM 963 C TYR A 57 -4.280 6.152 2.729 1.00 0.00 C ATOM 964 O TYR A 57 -5.013 5.605 3.555 1.00 0.00 O ATOM 965 CB TYR A 57 -4.731 8.501 3.592 1.00 0.00 C ATOM 966 CG TYR A 57 -5.067 9.967 3.348 1.00 0.00 C ATOM 967 CD1 TYR A 57 -4.065 10.847 2.896 1.00 0.00 C ATOM 968 CD2 TYR A 57 -6.368 10.462 3.600 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.354 12.212 2.696 1.00 0.00 C ATOM 970 CE2 TYR A 57 -6.664 11.822 3.387 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.656 12.703 2.940 1.00 0.00 C ATOM 972 OH TYR A 57 -5.945 14.022 2.759 1.00 0.00 O ATOM 0 H TYR A 57 -6.419 7.126 1.775 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.595 7.978 1.833 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.543 8.057 4.167 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.838 8.456 4.215 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.070 10.474 2.702 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.138 9.794 3.957 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.579 12.883 2.356 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.663 12.191 3.566 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.888 14.183 2.972 1.00 0.00 H new ATOM 982 N ILE A 58 -3.273 5.481 2.161 1.00 0.00 N ATOM 983 CA ILE A 58 -2.845 4.158 2.647 1.00 0.00 C ATOM 984 C ILE A 58 -1.915 4.404 3.832 1.00 0.00 C ATOM 985 O ILE A 58 -0.736 4.704 3.634 1.00 0.00 O ATOM 986 CB ILE A 58 -2.192 3.284 1.544 1.00 0.00 C ATOM 987 CG1 ILE A 58 -3.152 2.887 0.399 1.00 0.00 C ATOM 988 CG2 ILE A 58 -1.664 1.968 2.155 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.417 3.991 -0.627 1.00 0.00 C ATOM 0 H ILE A 58 -2.738 5.828 1.365 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.713 3.576 2.957 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.397 3.904 1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.740 2.021 -0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.103 2.577 0.832 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.207 1.361 1.373 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.921 2.194 2.919 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.491 1.418 2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.101 3.621 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.862 4.852 -0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.477 4.287 -1.093 1.00 0.00 H new ATOM 1001 N LYS A 59 -2.444 4.319 5.058 1.00 0.00 N ATOM 1002 CA LYS A 59 -1.649 4.420 6.291 1.00 0.00 C ATOM 1003 C LYS A 59 -1.237 3.037 6.807 1.00 0.00 C ATOM 1004 O LYS A 59 -2.026 2.092 6.797 1.00 0.00 O ATOM 1005 CB LYS A 59 -2.383 5.254 7.357 1.00 0.00 C ATOM 1006 CG LYS A 59 -2.914 6.586 6.798 1.00 0.00 C ATOM 1007 CD LYS A 59 -3.079 7.655 7.887 1.00 0.00 C ATOM 1008 CE LYS A 59 -3.760 8.919 7.344 1.00 0.00 C ATOM 1009 NZ LYS A 59 -5.236 8.789 7.324 1.00 0.00 N ATOM 0 H LYS A 59 -3.440 4.178 5.225 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.726 4.950 6.056 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.214 4.675 7.758 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.705 5.456 8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.230 6.954 6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.875 6.415 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.668 7.249 8.709 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.101 7.914 8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.480 9.774 7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.400 9.120 6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.651 9.621 6.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.502 7.930 6.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.592 8.725 8.299 1.00 0.00 H new ATOM 1023 N LEU A 60 0.001 2.930 7.276 1.00 0.00 N ATOM 1024 CA LEU A 60 0.574 1.770 7.964 1.00 0.00 C ATOM 1025 C LEU A 60 0.853 2.122 9.430 1.00 0.00 C ATOM 1026 O LEU A 60 1.401 3.186 9.720 1.00 0.00 O ATOM 1027 CB LEU A 60 1.858 1.335 7.233 1.00 0.00 C ATOM 1028 CG LEU A 60 1.669 0.170 6.249 1.00 0.00 C ATOM 1029 CD1 LEU A 60 0.611 0.411 5.171 1.00 0.00 C ATOM 1030 CD2 LEU A 60 2.994 -0.093 5.538 1.00 0.00 C ATOM 0 H LEU A 60 0.673 3.692 7.183 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.130 0.938 7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.259 2.191 6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.604 1.050 7.975 1.00 0.00 H new ATOM 0 HG LEU A 60 1.330 -0.673 6.850 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.546 -0.463 4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.356 0.585 5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.888 1.283 4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.873 -0.918 4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.300 0.802 4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.756 -0.351 6.273 1.00 0.00 H new ATOM 1042 N GLU A 61 0.500 1.232 10.357 1.00 0.00 N ATOM 1043 CA GLU A 61 0.558 1.487 11.805 1.00 0.00 C ATOM 1044 C GLU A 61 1.146 0.314 12.597 1.00 0.00 C ATOM 1045 O GLU A 61 1.053 -0.844 12.194 1.00 0.00 O ATOM 1046 CB GLU A 61 -0.836 1.791 12.363 1.00 0.00 C ATOM 1047 CG GLU A 61 -1.571 2.992 11.757 1.00 0.00 C ATOM 1048 CD GLU A 61 -2.852 3.317 12.559 1.00 0.00 C ATOM 1049 OE1 GLU A 61 -3.456 2.394 13.164 1.00 0.00 O ATOM 1050 OE2 GLU A 61 -3.256 4.503 12.589 1.00 0.00 O ATOM 0 H GLU A 61 0.160 0.299 10.125 1.00 0.00 H new ATOM 0 HA GLU A 61 1.216 2.348 11.925 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.458 0.906 12.226 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.745 1.954 13.437 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.912 3.860 11.749 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.831 2.779 10.720 1.00 0.00 H new ATOM 1057 N ASP A 62 1.733 0.599 13.759 1.00 0.00 N ATOM 1058 CA ASP A 62 2.347 -0.402 14.618 1.00 0.00 C ATOM 1059 C ASP A 62 1.297 -1.254 15.350 1.00 0.00 C ATOM 1060 O ASP A 62 0.241 -0.769 15.774 1.00 0.00 O ATOM 1061 CB ASP A 62 3.282 0.312 15.594 1.00 0.00 C ATOM 1062 CG ASP A 62 4.269 -0.665 16.231 1.00 0.00 C ATOM 1063 OD1 ASP A 62 5.400 -0.820 15.717 1.00 0.00 O ATOM 1064 OD2 ASP A 62 3.870 -1.299 17.230 1.00 0.00 O ATOM 0 H ASP A 62 1.794 1.547 14.132 1.00 0.00 H new ATOM 0 HA ASP A 62 2.920 -1.101 14.009 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.829 1.095 15.070 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.695 0.799 16.373 1.00 0.00 H new ATOM 1069 N LYS A 63 1.616 -2.538 15.518 1.00 0.00 N ATOM 1070 CA LYS A 63 0.781 -3.569 16.158 1.00 0.00 C ATOM 1071 C LYS A 63 0.890 -3.639 17.684 1.00 0.00 C ATOM 1072 O LYS A 63 0.118 -4.362 18.316 1.00 0.00 O ATOM 1073 CB LYS A 63 1.044 -4.935 15.488 1.00 0.00 C ATOM 1074 CG LYS A 63 2.545 -5.245 15.342 1.00 0.00 C ATOM 1075 CD LYS A 63 2.806 -6.655 14.805 1.00 0.00 C ATOM 1076 CE LYS A 63 4.256 -6.731 14.312 1.00 0.00 C ATOM 1077 NZ LYS A 63 4.578 -8.059 13.730 1.00 0.00 N ATOM 0 H LYS A 63 2.509 -2.912 15.196 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.255 -3.274 15.994 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.570 -5.721 16.076 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.577 -4.948 14.503 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.999 -4.515 14.672 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.031 -5.134 16.311 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.633 -7.395 15.586 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.117 -6.883 13.991 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.425 -5.957 13.564 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.932 -6.526 15.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.226 -7.938 12.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.031 -8.654 14.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.703 -8.516 13.403 1.00 0.00 H new ATOM 1091 N VAL A 64 1.806 -2.874 18.275 1.00 0.00 N ATOM 1092 CA VAL A 64 2.033 -2.790 19.723 1.00 0.00 C ATOM 1093 C VAL A 64 1.882 -1.355 20.229 1.00 0.00 C ATOM 1094 O VAL A 64 1.216 -1.136 21.243 1.00 0.00 O ATOM 1095 CB VAL A 64 3.429 -3.351 20.065 1.00 0.00 C ATOM 1096 CG1 VAL A 64 3.785 -3.196 21.550 1.00 0.00 C ATOM 1097 CG2 VAL A 64 3.532 -4.842 19.717 1.00 0.00 C ATOM 0 H VAL A 64 2.435 -2.273 17.743 1.00 0.00 H new ATOM 0 HA VAL A 64 1.276 -3.391 20.227 1.00 0.00 H new ATOM 0 HB VAL A 64 4.128 -2.766 19.466 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.778 -3.608 21.731 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.776 -2.139 21.818 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.054 -3.730 22.157 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.528 -5.207 19.970 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.786 -5.400 20.283 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.355 -4.980 18.650 1.00 0.00 H new ATOM 1107 N SER A 65 2.453 -0.373 19.524 1.00 0.00 N ATOM 1108 CA SER A 65 2.458 1.028 19.972 1.00 0.00 C ATOM 1109 C SER A 65 1.266 1.831 19.443 1.00 0.00 C ATOM 1110 O SER A 65 0.893 2.845 20.036 1.00 0.00 O ATOM 1111 CB SER A 65 3.769 1.711 19.566 1.00 0.00 C ATOM 1112 OG SER A 65 4.874 1.093 20.208 1.00 0.00 O ATOM 0 H SER A 65 2.923 -0.523 18.631 1.00 0.00 H new ATOM 0 HA SER A 65 2.371 1.007 21.058 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.893 1.658 18.484 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.732 2.768 19.831 1.00 0.00 H new ATOM 0 HG SER A 65 5.702 1.540 19.936 1.00 0.00 H new ATOM 1118 N GLY A 66 0.666 1.398 18.326 1.00 0.00 N ATOM 1119 CA GLY A 66 -0.453 2.095 17.677 1.00 0.00 C ATOM 1120 C GLY A 66 -0.023 3.326 16.867 1.00 0.00 C ATOM 1121 O GLY A 66 -0.867 4.084 16.391 1.00 0.00 O ATOM 0 H GLY A 66 0.947 0.545 17.842 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.970 1.399 17.017 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.169 2.404 18.439 1.00 0.00 H new ATOM 1125 N GLU A 67 1.287 3.535 16.723 1.00 0.00 N ATOM 1126 CA GLU A 67 1.892 4.699 16.074 1.00 0.00 C ATOM 1127 C GLU A 67 1.943 4.554 14.545 1.00 0.00 C ATOM 1128 O GLU A 67 1.965 3.439 14.019 1.00 0.00 O ATOM 1129 CB GLU A 67 3.274 4.964 16.695 1.00 0.00 C ATOM 1130 CG GLU A 67 4.357 3.940 16.321 1.00 0.00 C ATOM 1131 CD GLU A 67 5.695 4.289 17.002 1.00 0.00 C ATOM 1132 OE1 GLU A 67 5.948 3.809 18.133 1.00 0.00 O ATOM 1133 OE2 GLU A 67 6.505 5.047 16.414 1.00 0.00 O ATOM 0 H GLU A 67 1.982 2.873 17.068 1.00 0.00 H new ATOM 0 HA GLU A 67 1.262 5.570 16.254 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.610 5.955 16.389 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.171 4.983 17.780 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.040 2.941 16.622 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.488 3.921 15.239 1.00 0.00 H new ATOM 1140 N LEU A 68 1.989 5.675 13.823 1.00 0.00 N ATOM 1141 CA LEU A 68 2.120 5.689 12.362 1.00 0.00 C ATOM 1142 C LEU A 68 3.545 5.279 11.939 1.00 0.00 C ATOM 1143 O LEU A 68 4.524 5.899 12.359 1.00 0.00 O ATOM 1144 CB LEU A 68 1.747 7.091 11.838 1.00 0.00 C ATOM 1145 CG LEU A 68 1.662 7.186 10.301 1.00 0.00 C ATOM 1146 CD1 LEU A 68 0.392 6.525 9.765 1.00 0.00 C ATOM 1147 CD2 LEU A 68 1.641 8.647 9.855 1.00 0.00 C ATOM 0 H LEU A 68 1.936 6.606 14.237 1.00 0.00 H new ATOM 0 HA LEU A 68 1.438 4.961 11.923 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.787 7.382 12.263 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.485 7.809 12.196 1.00 0.00 H new ATOM 0 HG LEU A 68 2.539 6.672 9.908 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.367 6.612 8.679 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.384 5.472 10.045 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.482 7.020 10.189 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.581 8.695 8.768 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.775 9.147 10.289 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.552 9.143 10.190 1.00 0.00 H new ATOM 1159 N PHE A 69 3.657 4.274 11.068 1.00 0.00 N ATOM 1160 CA PHE A 69 4.911 3.902 10.403 1.00 0.00 C ATOM 1161 C PHE A 69 5.142 4.759 9.149 1.00 0.00 C ATOM 1162 O PHE A 69 6.186 5.402 9.016 1.00 0.00 O ATOM 1163 CB PHE A 69 4.894 2.401 10.069 1.00 0.00 C ATOM 1164 CG PHE A 69 6.022 1.958 9.152 1.00 0.00 C ATOM 1165 CD1 PHE A 69 7.344 1.910 9.633 1.00 0.00 C ATOM 1166 CD2 PHE A 69 5.762 1.641 7.803 1.00 0.00 C ATOM 1167 CE1 PHE A 69 8.399 1.547 8.775 1.00 0.00 C ATOM 1168 CE2 PHE A 69 6.819 1.299 6.941 1.00 0.00 C ATOM 1169 CZ PHE A 69 8.137 1.244 7.428 1.00 0.00 C ATOM 0 H PHE A 69 2.868 3.686 10.800 1.00 0.00 H new ATOM 0 HA PHE A 69 5.744 4.094 11.079 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.950 1.832 10.997 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.941 2.154 9.601 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.550 2.153 10.665 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.748 1.661 7.431 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.410 1.501 9.152 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.618 1.078 5.903 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.947 0.969 6.768 1.00 0.00 H new ATOM 1179 N ALA A 70 4.157 4.788 8.246 1.00 0.00 N ATOM 1180 CA ALA A 70 4.198 5.521 6.981 1.00 0.00 C ATOM 1181 C ALA A 70 2.780 5.793 6.444 1.00 0.00 C ATOM 1182 O ALA A 70 1.828 5.109 6.826 1.00 0.00 O ATOM 1183 CB ALA A 70 5.010 4.692 5.974 1.00 0.00 C ATOM 0 H ALA A 70 3.281 4.284 8.382 1.00 0.00 H new ATOM 0 HA ALA A 70 4.670 6.491 7.137 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.055 5.219 5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.021 4.545 6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.532 3.723 5.831 1.00 0.00 H new ATOM 1189 N GLN A 71 2.636 6.757 5.529 1.00 0.00 N ATOM 1190 CA GLN A 71 1.380 7.006 4.807 1.00 0.00 C ATOM 1191 C GLN A 71 1.616 7.405 3.345 1.00 0.00 C ATOM 1192 O GLN A 71 2.530 8.177 3.057 1.00 0.00 O ATOM 1193 CB GLN A 71 0.515 8.030 5.566 1.00 0.00 C ATOM 1194 CG GLN A 71 1.061 9.471 5.603 1.00 0.00 C ATOM 1195 CD GLN A 71 0.651 10.328 4.402 1.00 0.00 C ATOM 1196 OE1 GLN A 71 -0.460 10.263 3.893 1.00 0.00 O ATOM 1197 NE2 GLN A 71 1.518 11.185 3.912 1.00 0.00 N ATOM 0 H GLN A 71 3.390 7.391 5.266 1.00 0.00 H new ATOM 0 HA GLN A 71 0.826 6.068 4.769 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.476 8.048 5.112 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.389 7.682 6.591 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.715 9.955 6.516 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.149 9.434 5.654 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.450 11.257 4.320 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.259 11.778 3.124 1.00 0.00 H new ATOM 1206 N ALA A 72 0.788 6.899 2.429 1.00 0.00 N ATOM 1207 CA ALA A 72 0.820 7.224 1.001 1.00 0.00 C ATOM 1208 C ALA A 72 -0.490 7.915 0.557 1.00 0.00 C ATOM 1209 O ALA A 72 -1.535 7.254 0.527 1.00 0.00 O ATOM 1210 CB ALA A 72 1.104 5.940 0.210 1.00 0.00 C ATOM 0 H ALA A 72 0.054 6.232 2.667 1.00 0.00 H new ATOM 0 HA ALA A 72 1.619 7.938 0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.131 6.168 -0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.065 5.528 0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.318 5.211 0.406 1.00 0.00 H new ATOM 1216 N PRO A 73 -0.462 9.220 0.216 1.00 0.00 N ATOM 1217 CA PRO A 73 -1.616 9.952 -0.301 1.00 0.00 C ATOM 1218 C PRO A 73 -1.827 9.688 -1.802 1.00 0.00 C ATOM 1219 O PRO A 73 -0.869 9.632 -2.574 1.00 0.00 O ATOM 1220 CB PRO A 73 -1.324 11.424 -0.003 1.00 0.00 C ATOM 1221 CG PRO A 73 0.198 11.502 -0.112 1.00 0.00 C ATOM 1222 CD PRO A 73 0.662 10.132 0.388 1.00 0.00 C ATOM 0 HA PRO A 73 -2.546 9.633 0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.814 12.085 -0.718 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.673 11.712 0.989 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.518 11.685 -1.138 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.603 12.310 0.497 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.529 9.788 -0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.962 10.183 1.435 1.00 0.00 H new ATOM 1230 N VAL A 74 -3.086 9.552 -2.224 1.00 0.00 N ATOM 1231 CA VAL A 74 -3.503 9.137 -3.578 1.00 0.00 C ATOM 1232 C VAL A 74 -4.630 10.047 -4.076 1.00 0.00 C ATOM 1233 O VAL A 74 -5.609 10.241 -3.360 1.00 0.00 O ATOM 1234 CB VAL A 74 -4.005 7.672 -3.579 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -4.071 7.113 -5.003 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -3.171 6.708 -2.730 1.00 0.00 C ATOM 0 H VAL A 74 -3.881 9.734 -1.611 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.638 9.216 -4.236 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.996 7.730 -3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.427 6.083 -4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.756 7.716 -5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.078 7.141 -5.451 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.597 5.707 -2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.146 6.689 -3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.175 7.041 -1.692 1.00 0.00 H new ATOM 1246 N GLU A 75 -4.539 10.581 -5.298 1.00 0.00 N ATOM 1247 CA GLU A 75 -5.574 11.478 -5.866 1.00 0.00 C ATOM 1248 C GLU A 75 -6.580 10.763 -6.794 1.00 0.00 C ATOM 1249 O GLU A 75 -7.673 11.271 -7.048 1.00 0.00 O ATOM 1250 CB GLU A 75 -4.900 12.646 -6.603 1.00 0.00 C ATOM 1251 CG GLU A 75 -4.116 13.563 -5.654 1.00 0.00 C ATOM 1252 CD GLU A 75 -3.540 14.775 -6.412 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -4.224 15.825 -6.500 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -2.396 14.691 -6.922 1.00 0.00 O ATOM 0 H GLU A 75 -3.753 10.410 -5.926 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.159 11.849 -5.025 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.225 12.252 -7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.659 13.230 -7.123 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.769 13.907 -4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.306 13.003 -5.187 1.00 0.00 H new ATOM 1261 N GLN A 76 -6.209 9.586 -7.306 1.00 0.00 N ATOM 1262 CA GLN A 76 -7.026 8.683 -8.127 1.00 0.00 C ATOM 1263 C GLN A 76 -6.390 7.283 -8.165 1.00 0.00 C ATOM 1264 O GLN A 76 -5.162 7.170 -8.100 1.00 0.00 O ATOM 1265 CB GLN A 76 -7.221 9.236 -9.558 1.00 0.00 C ATOM 1266 CG GLN A 76 -6.007 9.205 -10.509 1.00 0.00 C ATOM 1267 CD GLN A 76 -4.828 10.072 -10.067 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -4.709 11.239 -10.416 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -3.907 9.537 -9.291 1.00 0.00 N ATOM 0 H GLN A 76 -5.272 9.214 -7.149 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.013 8.610 -7.670 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.029 8.675 -10.027 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.556 10.270 -9.475 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.666 8.174 -10.608 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.329 9.530 -11.498 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.993 8.566 -8.992 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.108 10.094 -8.989 1.00 0.00 H new ATOM 1278 N TYR A 77 -7.199 6.232 -8.311 1.00 0.00 N ATOM 1279 CA TYR A 77 -6.756 4.836 -8.309 1.00 0.00 C ATOM 1280 C TYR A 77 -7.214 4.069 -9.572 1.00 0.00 C ATOM 1281 O TYR A 77 -8.408 4.099 -9.892 1.00 0.00 O ATOM 1282 CB TYR A 77 -7.270 4.150 -7.036 1.00 0.00 C ATOM 1283 CG TYR A 77 -6.808 2.715 -6.921 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -7.719 1.657 -7.106 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -5.442 2.445 -6.719 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -7.258 0.327 -7.125 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -4.977 1.121 -6.773 1.00 0.00 C ATOM 1288 CZ TYR A 77 -5.878 0.059 -6.984 1.00 0.00 C ATOM 1289 OH TYR A 77 -5.399 -1.210 -7.085 1.00 0.00 O ATOM 0 H TYR A 77 -8.206 6.330 -8.437 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.666 4.824 -8.323 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.929 4.708 -6.164 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.360 4.179 -7.027 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.771 1.866 -7.233 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.753 3.253 -6.523 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.958 -0.487 -7.247 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.924 0.916 -6.652 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.427 -1.203 -6.962 1.00 0.00 H new ATOM 1299 N PRO A 78 -6.323 3.342 -10.278 1.00 0.00 N ATOM 1300 CA PRO A 78 -4.862 3.361 -10.148 1.00 0.00 C ATOM 1301 C PRO A 78 -4.243 4.742 -10.431 1.00 0.00 C ATOM 1302 O PRO A 78 -4.783 5.538 -11.204 1.00 0.00 O ATOM 1303 CB PRO A 78 -4.339 2.301 -11.126 1.00 0.00 C ATOM 1304 CG PRO A 78 -5.529 1.360 -11.298 1.00 0.00 C ATOM 1305 CD PRO A 78 -6.708 2.327 -11.247 1.00 0.00 C ATOM 0 HA PRO A 78 -4.576 3.143 -9.119 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.037 2.744 -12.075 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.469 1.780 -10.726 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.487 0.817 -12.242 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -5.578 0.615 -10.504 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.899 2.768 -12.225 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.623 1.818 -10.943 1.00 0.00 H new ATOM 1313 N GLY A 79 -3.102 5.019 -9.801 1.00 0.00 N ATOM 1314 CA GLY A 79 -2.349 6.271 -9.939 1.00 0.00 C ATOM 1315 C GLY A 79 -0.904 6.173 -9.438 1.00 0.00 C ATOM 1316 O GLY A 79 -0.423 5.092 -9.104 1.00 0.00 O ATOM 0 H GLY A 79 -2.660 4.360 -9.160 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.342 6.568 -10.988 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.864 7.058 -9.388 1.00 0.00 H new ATOM 1320 N ILE A 80 -0.204 7.309 -9.362 1.00 0.00 N ATOM 1321 CA ILE A 80 1.243 7.368 -9.056 1.00 0.00 C ATOM 1322 C ILE A 80 1.621 6.754 -7.697 1.00 0.00 C ATOM 1323 O ILE A 80 2.707 6.198 -7.544 1.00 0.00 O ATOM 1324 CB ILE A 80 1.740 8.831 -9.172 1.00 0.00 C ATOM 1325 CG1 ILE A 80 3.255 9.001 -8.923 1.00 0.00 C ATOM 1326 CG2 ILE A 80 1.000 9.792 -8.218 1.00 0.00 C ATOM 1327 CD1 ILE A 80 4.151 8.220 -9.887 1.00 0.00 C ATOM 0 H ILE A 80 -0.623 8.227 -9.511 1.00 0.00 H new ATOM 0 HA ILE A 80 1.748 6.747 -9.796 1.00 0.00 H new ATOM 0 HB ILE A 80 1.521 9.087 -10.209 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.505 10.060 -8.993 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.480 8.687 -7.904 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.390 10.802 -8.344 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.066 9.784 -8.448 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.152 9.470 -7.188 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.197 8.399 -9.638 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.935 7.155 -9.803 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.960 8.549 -10.908 1.00 0.00 H new ATOM 1339 N ALA A 81 0.730 6.830 -6.707 1.00 0.00 N ATOM 1340 CA ALA A 81 1.011 6.434 -5.329 1.00 0.00 C ATOM 1341 C ALA A 81 0.650 4.981 -4.992 1.00 0.00 C ATOM 1342 O ALA A 81 0.809 4.594 -3.835 1.00 0.00 O ATOM 1343 CB ALA A 81 0.364 7.466 -4.404 1.00 0.00 C ATOM 0 H ALA A 81 -0.221 7.174 -6.844 1.00 0.00 H new ATOM 0 HA ALA A 81 2.091 6.435 -5.178 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.557 7.196 -3.366 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.784 8.451 -4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.712 7.488 -4.579 1.00 0.00 H new ATOM 1349 N VAL A 82 0.203 4.177 -5.965 1.00 0.00 N ATOM 1350 CA VAL A 82 -0.183 2.767 -5.763 1.00 0.00 C ATOM 1351 C VAL A 82 0.087 1.929 -7.025 1.00 0.00 C ATOM 1352 O VAL A 82 -0.333 2.284 -8.124 1.00 0.00 O ATOM 1353 CB VAL A 82 -1.670 2.624 -5.372 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -1.962 1.191 -4.899 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -2.171 3.576 -4.277 1.00 0.00 C ATOM 0 H VAL A 82 0.096 4.488 -6.930 1.00 0.00 H new ATOM 0 HA VAL A 82 0.430 2.396 -4.942 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.202 2.886 -6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.014 1.105 -4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.737 0.490 -5.702 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.343 0.961 -4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.227 3.386 -4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.600 3.412 -3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.042 4.608 -4.605 1.00 0.00 H new ATOM 1365 N GLU A 83 0.757 0.790 -6.866 1.00 0.00 N ATOM 1366 CA GLU A 83 1.194 -0.121 -7.936 1.00 0.00 C ATOM 1367 C GLU A 83 1.031 -1.605 -7.552 1.00 0.00 C ATOM 1368 O GLU A 83 0.917 -1.957 -6.378 1.00 0.00 O ATOM 1369 CB GLU A 83 2.665 0.169 -8.304 1.00 0.00 C ATOM 1370 CG GLU A 83 2.807 1.265 -9.367 1.00 0.00 C ATOM 1371 CD GLU A 83 4.259 1.387 -9.879 1.00 0.00 C ATOM 1372 OE1 GLU A 83 4.784 2.524 -9.954 1.00 0.00 O ATOM 1373 OE2 GLU A 83 4.864 0.350 -10.246 1.00 0.00 O ATOM 0 H GLU A 83 1.027 0.455 -5.941 1.00 0.00 H new ATOM 0 HA GLU A 83 0.552 0.061 -8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.207 0.467 -7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.131 -0.747 -8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.144 1.047 -10.204 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.488 2.220 -8.949 1.00 0.00 H new ATOM 1380 N THR A 84 1.050 -2.485 -8.555 1.00 0.00 N ATOM 1381 CA THR A 84 0.900 -3.950 -8.457 1.00 0.00 C ATOM 1382 C THR A 84 2.158 -4.679 -8.940 1.00 0.00 C ATOM 1383 O THR A 84 2.960 -4.146 -9.720 1.00 0.00 O ATOM 1384 CB THR A 84 -0.299 -4.419 -9.303 1.00 0.00 C ATOM 1385 OG1 THR A 84 -0.192 -3.945 -10.632 1.00 0.00 O ATOM 1386 CG2 THR A 84 -1.623 -3.903 -8.744 1.00 0.00 C ATOM 0 H THR A 84 1.178 -2.181 -9.520 1.00 0.00 H new ATOM 0 HA THR A 84 0.737 -4.190 -7.406 1.00 0.00 H new ATOM 0 HB THR A 84 -0.284 -5.509 -9.276 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.962 -4.255 -11.153 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.444 -4.256 -9.369 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.757 -4.271 -7.727 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.615 -2.813 -8.737 1.00 0.00 H new ATOM 1394 N VAL A 85 2.324 -5.925 -8.491 1.00 0.00 N ATOM 1395 CA VAL A 85 3.318 -6.872 -9.011 1.00 0.00 C ATOM 1396 C VAL A 85 2.786 -7.623 -10.245 1.00 0.00 C ATOM 1397 O VAL A 85 1.603 -7.537 -10.586 1.00 0.00 O ATOM 1398 CB VAL A 85 3.748 -7.867 -7.919 1.00 0.00 C ATOM 1399 CG1 VAL A 85 4.293 -7.129 -6.695 1.00 0.00 C ATOM 1400 CG2 VAL A 85 2.606 -8.785 -7.490 1.00 0.00 C ATOM 0 H VAL A 85 1.758 -6.315 -7.737 1.00 0.00 H new ATOM 0 HA VAL A 85 4.191 -6.297 -9.319 1.00 0.00 H new ATOM 0 HB VAL A 85 4.534 -8.485 -8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.591 -7.853 -5.936 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.157 -6.532 -6.985 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.520 -6.476 -6.290 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.959 -9.469 -6.718 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.786 -8.185 -7.096 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.257 -9.357 -8.349 1.00 0.00 H new ATOM 1410 N THR A 86 3.643 -8.413 -10.889 1.00 0.00 N ATOM 1411 CA THR A 86 3.323 -9.226 -12.075 1.00 0.00 C ATOM 1412 C THR A 86 2.934 -10.666 -11.731 1.00 0.00 C ATOM 1413 O THR A 86 2.119 -11.269 -12.431 1.00 0.00 O ATOM 1414 CB THR A 86 4.519 -9.262 -13.040 1.00 0.00 C ATOM 1415 OG1 THR A 86 5.623 -9.893 -12.431 1.00 0.00 O ATOM 1416 CG2 THR A 86 4.981 -7.862 -13.434 1.00 0.00 C ATOM 0 H THR A 86 4.614 -8.513 -10.594 1.00 0.00 H new ATOM 0 HA THR A 86 2.462 -8.747 -12.542 1.00 0.00 H new ATOM 0 HB THR A 86 4.180 -9.805 -13.922 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.377 -9.910 -13.057 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.828 -7.937 -14.116 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.164 -7.334 -13.926 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.282 -7.313 -12.541 1.00 0.00 H new ATOM 1424 N ASP A 87 3.514 -11.229 -10.664 1.00 0.00 N ATOM 1425 CA ASP A 87 3.501 -12.679 -10.425 1.00 0.00 C ATOM 1426 C ASP A 87 2.362 -13.158 -9.512 1.00 0.00 C ATOM 1427 O ASP A 87 1.758 -14.197 -9.790 1.00 0.00 O ATOM 1428 CB ASP A 87 4.857 -13.110 -9.860 1.00 0.00 C ATOM 1429 CG ASP A 87 4.986 -14.642 -9.804 1.00 0.00 C ATOM 1430 OD1 ASP A 87 5.265 -15.262 -10.858 1.00 0.00 O ATOM 1431 OD2 ASP A 87 4.810 -15.230 -8.710 1.00 0.00 O ATOM 0 H ASP A 87 4.003 -10.696 -9.945 1.00 0.00 H new ATOM 0 HA ASP A 87 3.317 -13.153 -11.389 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.656 -12.699 -10.477 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.983 -12.697 -8.859 1.00 0.00 H new ATOM 1436 N SER A 88 2.057 -12.416 -8.436 1.00 0.00 N ATOM 1437 CA SER A 88 1.040 -12.846 -7.451 1.00 0.00 C ATOM 1438 C SER A 88 0.157 -11.718 -6.915 1.00 0.00 C ATOM 1439 O SER A 88 0.646 -10.702 -6.431 1.00 0.00 O ATOM 1440 CB SER A 88 1.702 -13.603 -6.297 1.00 0.00 C ATOM 1441 OG SER A 88 0.700 -14.214 -5.494 1.00 0.00 O ATOM 0 H SER A 88 2.495 -11.520 -8.222 1.00 0.00 H new ATOM 0 HA SER A 88 0.367 -13.508 -7.995 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.382 -14.360 -6.687 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.299 -12.919 -5.694 1.00 0.00 H new ATOM 0 HG SER A 88 1.124 -14.700 -4.756 1.00 0.00 H new ATOM 1447 N SER A 89 -1.163 -11.916 -6.933 1.00 0.00 N ATOM 1448 CA SER A 89 -2.177 -10.886 -6.639 1.00 0.00 C ATOM 1449 C SER A 89 -2.307 -10.484 -5.156 1.00 0.00 C ATOM 1450 O SER A 89 -3.317 -9.888 -4.779 1.00 0.00 O ATOM 1451 CB SER A 89 -3.546 -11.319 -7.194 1.00 0.00 C ATOM 1452 OG SER A 89 -3.435 -11.893 -8.490 1.00 0.00 O ATOM 0 H SER A 89 -1.574 -12.822 -7.158 1.00 0.00 H new ATOM 0 HA SER A 89 -1.819 -9.987 -7.141 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.001 -12.040 -6.515 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.211 -10.456 -7.235 1.00 0.00 H new ATOM 0 HG SER A 89 -4.324 -12.157 -8.808 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.321 -10.809 -4.302 1.00 0.00 N ATOM 1459 CA ARG A 90 -1.293 -10.467 -2.865 1.00 0.00 C ATOM 1460 C ARG A 90 -0.226 -9.438 -2.458 1.00 0.00 C ATOM 1461 O ARG A 90 0.108 -9.340 -1.276 1.00 0.00 O ATOM 1462 CB ARG A 90 -1.368 -11.729 -1.981 1.00 0.00 C ATOM 1463 CG ARG A 90 -0.048 -12.503 -1.869 1.00 0.00 C ATOM 1464 CD ARG A 90 -0.146 -13.709 -0.925 1.00 0.00 C ATOM 1465 NE ARG A 90 1.191 -14.293 -0.707 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.509 -15.369 -0.013 1.00 0.00 C ATOM 1467 NH1 ARG A 90 0.651 -16.044 0.697 1.00 0.00 N ATOM 1468 NH2 ARG A 90 2.741 -15.788 -0.024 1.00 0.00 N ATOM 0 H ARG A 90 -0.497 -11.332 -4.599 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.209 -9.911 -2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.691 -11.439 -0.981 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.132 -12.394 -2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.253 -12.846 -2.859 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.733 -11.831 -1.513 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.576 -13.401 0.028 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.814 -14.459 -1.349 1.00 0.00 H new ATOM 0 HE ARG A 90 1.968 -13.803 -1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.324 -15.747 0.736 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.954 -16.869 1.214 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.446 -15.286 -0.564 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.002 -16.618 0.508 1.00 0.00 H new ATOM 1482 N TYR A 91 0.308 -8.674 -3.416 1.00 0.00 N ATOM 1483 CA TYR A 91 1.431 -7.767 -3.207 1.00 0.00 C ATOM 1484 C TYR A 91 1.214 -6.447 -3.959 1.00 0.00 C ATOM 1485 O TYR A 91 0.829 -6.446 -5.133 1.00 0.00 O ATOM 1486 CB TYR A 91 2.715 -8.454 -3.681 1.00 0.00 C ATOM 1487 CG TYR A 91 3.074 -9.743 -2.965 1.00 0.00 C ATOM 1488 CD1 TYR A 91 3.781 -9.693 -1.750 1.00 0.00 C ATOM 1489 CD2 TYR A 91 2.726 -10.989 -3.526 1.00 0.00 C ATOM 1490 CE1 TYR A 91 4.124 -10.883 -1.081 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.099 -12.183 -2.878 1.00 0.00 C ATOM 1492 CZ TYR A 91 3.789 -12.132 -1.649 1.00 0.00 C ATOM 1493 OH TYR A 91 4.102 -13.291 -1.006 1.00 0.00 O ATOM 0 H TYR A 91 -0.038 -8.672 -4.376 1.00 0.00 H new ATOM 0 HA TYR A 91 1.513 -7.530 -2.146 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.620 -8.666 -4.746 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.543 -7.754 -3.568 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.061 -8.739 -1.329 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.173 -11.028 -4.453 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.643 -10.841 -0.135 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.857 -13.137 -3.322 1.00 0.00 H new ATOM 0 HH TYR A 91 4.100 -13.139 -0.038 1.00 0.00 H new ATOM 1503 N PHE A 92 1.494 -5.326 -3.293 1.00 0.00 N ATOM 1504 CA PHE A 92 1.373 -3.973 -3.841 1.00 0.00 C ATOM 1505 C PHE A 92 2.609 -3.140 -3.519 1.00 0.00 C ATOM 1506 O PHE A 92 3.376 -3.470 -2.620 1.00 0.00 O ATOM 1507 CB PHE A 92 0.124 -3.275 -3.282 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.164 -3.994 -3.603 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.787 -4.782 -2.623 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.721 -3.901 -4.891 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.966 -5.479 -2.925 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.886 -4.624 -5.202 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.507 -5.415 -4.221 1.00 0.00 C ATOM 0 H PHE A 92 1.822 -5.334 -2.327 1.00 0.00 H new ATOM 0 HA PHE A 92 1.282 -4.061 -4.924 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.221 -3.186 -2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.074 -2.262 -3.682 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.358 -4.852 -1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.255 -3.276 -5.639 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.458 -6.065 -2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.304 -4.571 -6.196 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.399 -5.973 -4.462 1.00 0.00 H new ATOM 1523 N VAL A 93 2.777 -2.029 -4.223 1.00 0.00 N ATOM 1524 CA VAL A 93 3.738 -0.972 -3.893 1.00 0.00 C ATOM 1525 C VAL A 93 2.979 0.330 -3.680 1.00 0.00 C ATOM 1526 O VAL A 93 2.018 0.589 -4.402 1.00 0.00 O ATOM 1527 CB VAL A 93 4.811 -0.853 -4.990 1.00 0.00 C ATOM 1528 CG1 VAL A 93 5.734 0.355 -4.810 1.00 0.00 C ATOM 1529 CG2 VAL A 93 5.656 -2.127 -5.021 1.00 0.00 C ATOM 0 H VAL A 93 2.236 -1.827 -5.064 1.00 0.00 H new ATOM 0 HA VAL A 93 4.266 -1.217 -2.971 1.00 0.00 H new ATOM 0 HB VAL A 93 4.279 -0.712 -5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.466 0.377 -5.618 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.143 1.271 -4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.251 0.278 -3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.415 -2.041 -5.798 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.140 -2.266 -4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.016 -2.983 -5.232 1.00 0.00 H new ATOM 1539 N ILE A 94 3.391 1.163 -2.723 1.00 0.00 N ATOM 1540 CA ILE A 94 2.809 2.495 -2.524 1.00 0.00 C ATOM 1541 C ILE A 94 3.876 3.576 -2.334 1.00 0.00 C ATOM 1542 O ILE A 94 4.949 3.316 -1.781 1.00 0.00 O ATOM 1543 CB ILE A 94 1.740 2.541 -1.408 1.00 0.00 C ATOM 1544 CG1 ILE A 94 2.242 2.208 0.018 1.00 0.00 C ATOM 1545 CG2 ILE A 94 0.494 1.718 -1.764 1.00 0.00 C ATOM 1546 CD1 ILE A 94 2.396 0.722 0.376 1.00 0.00 C ATOM 0 H ILE A 94 4.136 0.936 -2.064 1.00 0.00 H new ATOM 0 HA ILE A 94 2.283 2.720 -3.452 1.00 0.00 H new ATOM 0 HB ILE A 94 1.465 3.595 -1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.209 2.692 0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.554 2.659 0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.228 1.781 -0.950 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.047 2.111 -2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.777 0.677 -1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.754 0.630 1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.431 0.223 0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.112 0.257 -0.301 1.00 0.00 H new ATOM 1558 N ARG A 95 3.574 4.800 -2.791 1.00 0.00 N ATOM 1559 CA ARG A 95 4.478 5.964 -2.676 1.00 0.00 C ATOM 1560 C ARG A 95 4.240 6.728 -1.372 1.00 0.00 C ATOM 1561 O ARG A 95 3.529 7.738 -1.352 1.00 0.00 O ATOM 1562 CB ARG A 95 4.391 6.866 -3.919 1.00 0.00 C ATOM 1563 CG ARG A 95 5.592 7.821 -3.992 1.00 0.00 C ATOM 1564 CD ARG A 95 5.467 8.788 -5.173 1.00 0.00 C ATOM 1565 NE ARG A 95 6.638 9.681 -5.250 1.00 0.00 N ATOM 1566 CZ ARG A 95 6.922 10.551 -6.200 1.00 0.00 C ATOM 1567 NH1 ARG A 95 7.999 11.271 -6.097 1.00 0.00 N ATOM 1568 NH2 ARG A 95 6.163 10.727 -7.243 1.00 0.00 N ATOM 0 H ARG A 95 2.691 5.016 -3.254 1.00 0.00 H new ATOM 0 HA ARG A 95 5.502 5.593 -2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.356 6.250 -4.818 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.466 7.441 -3.891 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.666 8.387 -3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.512 7.244 -4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.373 8.224 -6.101 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.559 9.381 -5.067 1.00 0.00 H new ATOM 0 HE ARG A 95 7.305 9.619 -4.481 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.612 11.159 -5.289 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.231 11.948 -6.824 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.309 10.180 -7.350 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.423 11.412 -7.953 1.00 0.00 H new ATOM 1582 N ILE A 96 4.821 6.247 -0.276 1.00 0.00 N ATOM 1583 CA ILE A 96 4.714 6.909 1.032 1.00 0.00 C ATOM 1584 C ILE A 96 5.441 8.260 1.036 1.00 0.00 C ATOM 1585 O ILE A 96 6.482 8.418 0.394 1.00 0.00 O ATOM 1586 CB ILE A 96 5.094 5.993 2.217 1.00 0.00 C ATOM 1587 CG1 ILE A 96 6.584 5.584 2.280 1.00 0.00 C ATOM 1588 CG2 ILE A 96 4.214 4.734 2.228 1.00 0.00 C ATOM 1589 CD1 ILE A 96 7.443 6.516 3.142 1.00 0.00 C ATOM 0 H ILE A 96 5.378 5.392 -0.263 1.00 0.00 H new ATOM 0 HA ILE A 96 3.658 7.126 1.192 1.00 0.00 H new ATOM 0 HB ILE A 96 4.915 6.600 3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.657 4.570 2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.989 5.563 1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.496 4.101 3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.167 5.022 2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.354 4.184 1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.475 6.166 3.139 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.401 7.527 2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.064 6.518 4.164 1.00 0.00 H new ATOM 1601 N GLN A 97 4.864 9.246 1.725 1.00 0.00 N ATOM 1602 CA GLN A 97 5.282 10.654 1.721 1.00 0.00 C ATOM 1603 C GLN A 97 5.239 11.262 3.129 1.00 0.00 C ATOM 1604 O GLN A 97 4.385 10.928 3.952 1.00 0.00 O ATOM 1605 CB GLN A 97 4.391 11.462 0.757 1.00 0.00 C ATOM 1606 CG GLN A 97 4.792 11.253 -0.713 1.00 0.00 C ATOM 1607 CD GLN A 97 3.657 11.503 -1.699 1.00 0.00 C ATOM 1608 OE1 GLN A 97 3.295 12.630 -2.006 1.00 0.00 O ATOM 1609 NE2 GLN A 97 3.064 10.459 -2.239 1.00 0.00 N ATOM 0 H GLN A 97 4.058 9.081 2.328 1.00 0.00 H new ATOM 0 HA GLN A 97 6.316 10.698 1.379 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.350 11.168 0.894 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.458 12.522 1.004 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.622 11.918 -0.952 1.00 0.00 H new ATOM 0 HG3 GLN A 97 5.154 10.233 -0.840 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.362 9.516 -1.987 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.307 10.593 -2.910 1.00 0.00 H new ATOM 1682 N SER A 103 9.556 11.547 -0.569 1.00 0.00 N ATOM 1683 CA SER A 103 8.841 10.308 -0.873 1.00 0.00 C ATOM 1684 C SER A 103 9.733 9.070 -1.014 1.00 0.00 C ATOM 1685 O SER A 103 10.930 9.175 -1.297 1.00 0.00 O ATOM 1686 CB SER A 103 7.977 10.488 -2.128 1.00 0.00 C ATOM 1687 OG SER A 103 8.757 10.571 -3.311 1.00 0.00 O ATOM 0 HA SER A 103 8.212 10.114 -0.004 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.282 9.652 -2.211 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.377 11.392 -2.027 1.00 0.00 H new ATOM 0 HG SER A 103 9.613 11.002 -3.109 1.00 0.00 H new ATOM 1693 N ALA A 104 9.128 7.892 -0.845 1.00 0.00 N ATOM 1694 CA ALA A 104 9.718 6.589 -1.146 1.00 0.00 C ATOM 1695 C ALA A 104 8.653 5.615 -1.678 1.00 0.00 C ATOM 1696 O ALA A 104 7.506 5.637 -1.233 1.00 0.00 O ATOM 1697 CB ALA A 104 10.392 6.037 0.118 1.00 0.00 C ATOM 0 H ALA A 104 8.178 7.819 -0.481 1.00 0.00 H new ATOM 0 HA ALA A 104 10.469 6.705 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.834 5.065 -0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.172 6.725 0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.649 5.929 0.909 1.00 0.00 H new ATOM 1703 N PHE A 105 9.035 4.730 -2.599 1.00 0.00 N ATOM 1704 CA PHE A 105 8.208 3.591 -3.007 1.00 0.00 C ATOM 1705 C PHE A 105 8.539 2.378 -2.129 1.00 0.00 C ATOM 1706 O PHE A 105 9.677 1.899 -2.132 1.00 0.00 O ATOM 1707 CB PHE A 105 8.409 3.293 -4.499 1.00 0.00 C ATOM 1708 CG PHE A 105 7.739 4.283 -5.436 1.00 0.00 C ATOM 1709 CD1 PHE A 105 6.395 4.090 -5.811 1.00 0.00 C ATOM 1710 CD2 PHE A 105 8.455 5.375 -5.962 1.00 0.00 C ATOM 1711 CE1 PHE A 105 5.779 4.956 -6.729 1.00 0.00 C ATOM 1712 CE2 PHE A 105 7.835 6.254 -6.871 1.00 0.00 C ATOM 1713 CZ PHE A 105 6.501 6.037 -7.263 1.00 0.00 C ATOM 0 H PHE A 105 9.930 4.782 -3.086 1.00 0.00 H new ATOM 0 HA PHE A 105 7.154 3.832 -2.867 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.478 3.277 -4.712 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.026 2.295 -4.712 1.00 0.00 H new ATOM 0 HD1 PHE A 105 5.834 3.269 -5.389 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.481 5.539 -5.668 1.00 0.00 H new ATOM 0 HE1 PHE A 105 4.753 4.792 -7.024 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.384 7.095 -7.268 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.032 6.701 -7.974 1.00 0.00 H new ATOM 1723 N ILE A 106 7.550 1.881 -1.380 1.00 0.00 N ATOM 1724 CA ILE A 106 7.678 0.693 -0.517 1.00 0.00 C ATOM 1725 C ILE A 106 6.740 -0.419 -0.984 1.00 0.00 C ATOM 1726 O ILE A 106 5.610 -0.146 -1.388 1.00 0.00 O ATOM 1727 CB ILE A 106 7.493 1.023 0.985 1.00 0.00 C ATOM 1728 CG1 ILE A 106 6.040 1.379 1.376 1.00 0.00 C ATOM 1729 CG2 ILE A 106 8.470 2.141 1.388 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.818 1.516 2.888 1.00 0.00 C ATOM 0 H ILE A 106 6.619 2.298 -1.353 1.00 0.00 H new ATOM 0 HA ILE A 106 8.701 0.330 -0.615 1.00 0.00 H new ATOM 0 HB ILE A 106 7.719 0.113 1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.763 2.316 0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.371 0.610 0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.340 2.374 2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.494 1.811 1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.269 3.032 0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.775 1.767 3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.062 0.574 3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.459 2.305 3.280 1.00 0.00 H new ATOM 1742 N GLY A 107 7.197 -1.668 -0.922 1.00 0.00 N ATOM 1743 CA GLY A 107 6.387 -2.848 -1.216 1.00 0.00 C ATOM 1744 C GLY A 107 5.695 -3.361 0.040 1.00 0.00 C ATOM 1745 O GLY A 107 6.284 -3.323 1.119 1.00 0.00 O ATOM 0 H GLY A 107 8.157 -1.892 -0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.641 -2.603 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.018 -3.632 -1.634 1.00 0.00 H new ATOM 1749 N ILE A 108 4.465 -3.851 -0.099 1.00 0.00 N ATOM 1750 CA ILE A 108 3.694 -4.517 0.954 1.00 0.00 C ATOM 1751 C ILE A 108 3.142 -5.865 0.484 1.00 0.00 C ATOM 1752 O ILE A 108 2.693 -6.004 -0.656 1.00 0.00 O ATOM 1753 CB ILE A 108 2.581 -3.627 1.552 1.00 0.00 C ATOM 1754 CG1 ILE A 108 1.547 -3.128 0.517 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.210 -2.466 2.332 1.00 0.00 C ATOM 1756 CD1 ILE A 108 0.312 -2.470 1.151 1.00 0.00 C ATOM 0 H ILE A 108 3.957 -3.794 -0.981 1.00 0.00 H new ATOM 0 HA ILE A 108 4.398 -4.707 1.764 1.00 0.00 H new ATOM 0 HB ILE A 108 2.007 -4.254 2.234 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.028 -2.412 -0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.225 -3.969 -0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.422 -1.841 2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.828 -2.862 3.138 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.828 -1.869 1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.370 -2.144 0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.193 -3.190 1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.622 -1.609 1.743 1.00 0.00 H new ATOM 1768 N GLY A 109 3.164 -6.856 1.376 1.00 0.00 N ATOM 1769 CA GLY A 109 2.609 -8.195 1.160 1.00 0.00 C ATOM 1770 C GLY A 109 1.504 -8.560 2.152 1.00 0.00 C ATOM 1771 O GLY A 109 1.562 -8.199 3.331 1.00 0.00 O ATOM 0 H GLY A 109 3.582 -6.746 2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.213 -8.257 0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.411 -8.929 1.234 1.00 0.00 H new ATOM 1775 N PHE A 110 0.508 -9.293 1.652 1.00 0.00 N ATOM 1776 CA PHE A 110 -0.655 -9.797 2.389 1.00 0.00 C ATOM 1777 C PHE A 110 -0.545 -11.313 2.624 1.00 0.00 C ATOM 1778 O PHE A 110 0.278 -11.999 2.013 1.00 0.00 O ATOM 1779 CB PHE A 110 -1.937 -9.446 1.610 1.00 0.00 C ATOM 1780 CG PHE A 110 -2.323 -7.976 1.618 1.00 0.00 C ATOM 1781 CD1 PHE A 110 -3.500 -7.561 2.272 1.00 0.00 C ATOM 1782 CD2 PHE A 110 -1.515 -7.018 0.971 1.00 0.00 C ATOM 1783 CE1 PHE A 110 -3.860 -6.202 2.285 1.00 0.00 C ATOM 1784 CE2 PHE A 110 -1.853 -5.658 1.024 1.00 0.00 C ATOM 1785 CZ PHE A 110 -3.031 -5.252 1.666 1.00 0.00 C ATOM 0 H PHE A 110 0.489 -9.566 0.670 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.692 -9.322 3.370 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.812 -9.766 0.575 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.763 -10.023 2.025 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -4.127 -8.289 2.765 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -0.633 -7.333 0.433 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.773 -5.889 2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.205 -4.923 0.570 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.302 -4.207 1.685 1.00 0.00 H new ATOM 1795 N THR A 111 -1.405 -11.854 3.492 1.00 0.00 N ATOM 1796 CA THR A 111 -1.461 -13.298 3.777 1.00 0.00 C ATOM 1797 C THR A 111 -2.053 -14.100 2.609 1.00 0.00 C ATOM 1798 O THR A 111 -1.572 -15.189 2.291 1.00 0.00 O ATOM 1799 CB THR A 111 -2.201 -13.554 5.104 1.00 0.00 C ATOM 1800 OG1 THR A 111 -2.078 -14.910 5.477 1.00 0.00 O ATOM 1801 CG2 THR A 111 -3.694 -13.208 5.084 1.00 0.00 C ATOM 0 H THR A 111 -2.084 -11.306 4.019 1.00 0.00 H new ATOM 0 HA THR A 111 -0.439 -13.659 3.892 1.00 0.00 H new ATOM 0 HB THR A 111 -1.723 -12.886 5.821 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.551 -15.061 6.322 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.130 -13.421 6.060 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.819 -12.150 4.854 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.196 -13.807 4.324 1.00 0.00 H new ATOM 1809 N ASP A 112 -3.045 -13.546 1.900 1.00 0.00 N ATOM 1810 CA ASP A 112 -3.744 -14.223 0.803 1.00 0.00 C ATOM 1811 C ASP A 112 -4.318 -13.231 -0.224 1.00 0.00 C ATOM 1812 O ASP A 112 -4.659 -12.092 0.110 1.00 0.00 O ATOM 1813 CB ASP A 112 -4.857 -15.110 1.389 1.00 0.00 C ATOM 1814 CG ASP A 112 -5.439 -16.060 0.332 1.00 0.00 C ATOM 1815 OD1 ASP A 112 -4.820 -17.115 0.061 1.00 0.00 O ATOM 1816 OD2 ASP A 112 -6.489 -15.726 -0.263 1.00 0.00 O ATOM 0 H ASP A 112 -3.388 -12.602 2.076 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.023 -14.840 0.266 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.460 -15.691 2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.651 -14.480 1.790 1.00 0.00 H new ATOM 1821 N ARG A 113 -4.472 -13.679 -1.477 1.00 0.00 N ATOM 1822 CA ARG A 113 -5.073 -12.901 -2.579 1.00 0.00 C ATOM 1823 C ARG A 113 -6.490 -12.454 -2.257 1.00 0.00 C ATOM 1824 O ARG A 113 -6.862 -11.328 -2.572 1.00 0.00 O ATOM 1825 CB ARG A 113 -5.097 -13.736 -3.870 1.00 0.00 C ATOM 1826 CG ARG A 113 -3.674 -14.102 -4.285 1.00 0.00 C ATOM 1827 CD ARG A 113 -3.635 -14.877 -5.606 1.00 0.00 C ATOM 1828 NE ARG A 113 -2.248 -15.147 -6.035 1.00 0.00 N ATOM 1829 CZ ARG A 113 -1.878 -15.888 -7.064 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -0.614 -16.062 -7.308 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -2.735 -16.457 -7.864 1.00 0.00 N ATOM 0 H ARG A 113 -4.177 -14.612 -1.764 1.00 0.00 H new ATOM 0 HA ARG A 113 -4.455 -12.014 -2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -5.683 -14.642 -3.716 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -5.583 -13.174 -4.667 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -3.081 -13.193 -4.382 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -3.212 -14.702 -3.501 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -4.172 -15.819 -5.492 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -4.151 -14.307 -6.379 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.504 -14.720 -5.483 1.00 0.00 H new ATOM 0 HH11 ARG A 113 0.086 -15.628 -6.707 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -0.322 -16.633 -8.101 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -3.736 -16.338 -7.707 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -2.405 -17.021 -8.647 1.00 0.00 H new ATOM 1845 N GLY A 114 -7.252 -13.297 -1.566 1.00 0.00 N ATOM 1846 CA GLY A 114 -8.612 -13.000 -1.140 1.00 0.00 C ATOM 1847 C GLY A 114 -8.717 -11.900 -0.071 1.00 0.00 C ATOM 1848 O GLY A 114 -9.805 -11.365 0.141 1.00 0.00 O ATOM 0 H GLY A 114 -6.933 -14.223 -1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.195 -12.700 -2.011 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.065 -13.912 -0.751 1.00 0.00 H new ATOM 1852 N ASP A 115 -7.599 -11.517 0.563 1.00 0.00 N ATOM 1853 CA ASP A 115 -7.516 -10.350 1.459 1.00 0.00 C ATOM 1854 C ASP A 115 -6.851 -9.142 0.785 1.00 0.00 C ATOM 1855 O ASP A 115 -7.277 -8.009 0.999 1.00 0.00 O ATOM 1856 CB ASP A 115 -6.812 -10.726 2.773 1.00 0.00 C ATOM 1857 CG ASP A 115 -7.827 -11.195 3.825 1.00 0.00 C ATOM 1858 OD1 ASP A 115 -7.881 -12.410 4.132 1.00 0.00 O ATOM 1859 OD2 ASP A 115 -8.571 -10.330 4.350 1.00 0.00 O ATOM 0 H ASP A 115 -6.714 -12.015 0.468 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.536 -10.045 1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.084 -11.516 2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.260 -9.867 3.153 1.00 0.00 H new ATOM 1864 N ALA A 116 -5.874 -9.355 -0.097 1.00 0.00 N ATOM 1865 CA ALA A 116 -5.323 -8.295 -0.943 1.00 0.00 C ATOM 1866 C ALA A 116 -6.349 -7.712 -1.933 1.00 0.00 C ATOM 1867 O ALA A 116 -6.310 -6.520 -2.236 1.00 0.00 O ATOM 1868 CB ALA A 116 -4.144 -8.890 -1.688 1.00 0.00 C ATOM 0 H ALA A 116 -5.442 -10.267 -0.245 1.00 0.00 H new ATOM 0 HA ALA A 116 -5.023 -7.458 -0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.701 -8.131 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.399 -9.237 -0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.483 -9.730 -2.295 1.00 0.00 H new ATOM 1874 N PHE A 117 -7.319 -8.515 -2.376 1.00 0.00 N ATOM 1875 CA PHE A 117 -8.486 -8.027 -3.121 1.00 0.00 C ATOM 1876 C PHE A 117 -9.243 -6.922 -2.362 1.00 0.00 C ATOM 1877 O PHE A 117 -9.739 -5.984 -2.980 1.00 0.00 O ATOM 1878 CB PHE A 117 -9.418 -9.198 -3.477 1.00 0.00 C ATOM 1879 CG PHE A 117 -9.205 -9.788 -4.865 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.913 -10.100 -5.337 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -10.317 -10.021 -5.700 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -7.736 -10.644 -6.622 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -10.140 -10.562 -6.987 1.00 0.00 C ATOM 1884 CZ PHE A 117 -8.850 -10.875 -7.448 1.00 0.00 C ATOM 0 H PHE A 117 -7.319 -9.524 -2.229 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.123 -7.576 -4.044 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.284 -9.988 -2.738 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.451 -8.859 -3.397 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -7.054 -9.920 -4.708 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -11.311 -9.783 -5.350 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -6.744 -10.884 -6.974 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -10.997 -10.737 -7.621 1.00 0.00 H new ATOM 0 HZ PHE A 117 -8.715 -11.292 -8.435 1.00 0.00 H new ATOM 1894 N ASP A 118 -9.285 -6.968 -1.027 1.00 0.00 N ATOM 1895 CA ASP A 118 -9.951 -5.953 -0.201 1.00 0.00 C ATOM 1896 C ASP A 118 -9.207 -4.600 -0.234 1.00 0.00 C ATOM 1897 O ASP A 118 -9.842 -3.547 -0.262 1.00 0.00 O ATOM 1898 CB ASP A 118 -10.073 -6.510 1.226 1.00 0.00 C ATOM 1899 CG ASP A 118 -11.145 -5.854 2.108 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -12.108 -5.241 1.592 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -11.039 -6.032 3.345 1.00 0.00 O ATOM 0 H ASP A 118 -8.855 -7.716 -0.484 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.944 -5.747 -0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -10.284 -7.577 1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -9.108 -6.405 1.721 1.00 0.00 H new ATOM 1906 N PHE A 119 -7.870 -4.610 -0.335 1.00 0.00 N ATOM 1907 CA PHE A 119 -7.049 -3.408 -0.554 1.00 0.00 C ATOM 1908 C PHE A 119 -7.411 -2.712 -1.878 1.00 0.00 C ATOM 1909 O PHE A 119 -7.701 -1.515 -1.889 1.00 0.00 O ATOM 1910 CB PHE A 119 -5.559 -3.785 -0.467 1.00 0.00 C ATOM 1911 CG PHE A 119 -4.576 -2.694 -0.854 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -3.931 -1.929 0.134 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -4.276 -2.463 -2.210 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -3.044 -0.905 -0.230 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -3.381 -1.443 -2.575 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.769 -0.656 -1.585 1.00 0.00 C ATOM 0 H PHE A 119 -7.319 -5.466 -0.266 1.00 0.00 H new ATOM 0 HA PHE A 119 -7.258 -2.679 0.229 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.342 -4.097 0.555 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.384 -4.649 -1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.119 -2.131 1.178 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.736 -3.073 -2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.571 -0.306 0.534 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.163 -1.264 -3.618 1.00 0.00 H new ATOM 0 HZ PHE A 119 -2.090 0.136 -1.864 1.00 0.00 H new ATOM 1926 N ASN A 120 -7.462 -3.453 -2.992 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.751 -2.853 -4.303 1.00 0.00 C ATOM 1928 C ASN A 120 -9.242 -2.552 -4.546 1.00 0.00 C ATOM 1929 O ASN A 120 -9.558 -1.644 -5.318 1.00 0.00 O ATOM 1930 CB ASN A 120 -7.097 -3.657 -5.444 1.00 0.00 C ATOM 1931 CG ASN A 120 -7.578 -5.086 -5.634 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -6.859 -6.038 -5.386 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.773 -5.296 -6.140 1.00 0.00 N ATOM 0 H ASN A 120 -7.308 -4.461 -3.014 1.00 0.00 H new ATOM 0 HA ASN A 120 -7.285 -1.868 -4.294 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -7.258 -3.117 -6.377 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.021 -3.680 -5.271 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -9.090 -6.248 -6.321 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -9.383 -4.507 -6.351 1.00 0.00 H new ATOM 1940 N VAL A 121 -10.168 -3.271 -3.903 1.00 0.00 N ATOM 1941 CA VAL A 121 -11.612 -2.989 -3.990 1.00 0.00 C ATOM 1942 C VAL A 121 -11.997 -1.792 -3.117 1.00 0.00 C ATOM 1943 O VAL A 121 -12.723 -0.917 -3.585 1.00 0.00 O ATOM 1944 CB VAL A 121 -12.452 -4.242 -3.663 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -13.948 -3.940 -3.487 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -12.343 -5.270 -4.799 1.00 0.00 C ATOM 0 H VAL A 121 -9.941 -4.066 -3.306 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.838 -2.718 -5.021 1.00 0.00 H new ATOM 0 HB VAL A 121 -12.050 -4.622 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -14.481 -4.863 -3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -14.082 -3.232 -2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -14.343 -3.511 -4.408 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -12.941 -6.148 -4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -12.710 -4.829 -5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -11.301 -5.564 -4.925 1.00 0.00 H new ATOM 1956 N SER A 122 -11.486 -1.687 -1.887 1.00 0.00 N ATOM 1957 CA SER A 122 -11.811 -0.559 -0.994 1.00 0.00 C ATOM 1958 C SER A 122 -11.306 0.793 -1.522 1.00 0.00 C ATOM 1959 O SER A 122 -11.973 1.811 -1.329 1.00 0.00 O ATOM 1960 CB SER A 122 -11.287 -0.817 0.419 1.00 0.00 C ATOM 1961 OG SER A 122 -9.880 -0.895 0.436 1.00 0.00 O ATOM 0 H SER A 122 -10.844 -2.368 -1.482 1.00 0.00 H new ATOM 0 HA SER A 122 -12.899 -0.493 -0.964 1.00 0.00 H new ATOM 0 HB2 SER A 122 -11.617 -0.018 1.083 1.00 0.00 H new ATOM 0 HB3 SER A 122 -11.710 -1.746 0.802 1.00 0.00 H new ATOM 0 HG SER A 122 -9.600 -1.801 0.189 1.00 0.00 H new ATOM 1967 N LEU A 123 -10.187 0.804 -2.259 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.697 1.976 -2.990 1.00 0.00 C ATOM 1969 C LEU A 123 -10.603 2.335 -4.180 1.00 0.00 C ATOM 1970 O LEU A 123 -11.105 3.459 -4.251 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.239 1.738 -3.431 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.198 1.834 -2.297 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -5.830 1.394 -2.820 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.056 3.260 -1.754 1.00 0.00 C ATOM 0 H LEU A 123 -9.589 -0.015 -2.364 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.724 2.836 -2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.169 0.751 -3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.984 2.465 -4.202 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.546 1.187 -1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.095 1.462 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.889 0.364 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -5.530 2.042 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.311 3.274 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.741 3.926 -2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -8.015 3.596 -1.360 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.871 1.400 -5.099 1.00 0.00 N ATOM 1987 CA GLN A 124 -11.663 1.708 -6.302 1.00 0.00 C ATOM 1988 C GLN A 124 -13.135 2.039 -5.985 1.00 0.00 C ATOM 1989 O GLN A 124 -13.741 2.866 -6.666 1.00 0.00 O ATOM 1990 CB GLN A 124 -11.507 0.592 -7.351 1.00 0.00 C ATOM 1991 CG GLN A 124 -12.393 -0.635 -7.117 1.00 0.00 C ATOM 1992 CD GLN A 124 -12.004 -1.798 -8.025 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -12.691 -2.145 -8.977 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -10.880 -2.434 -7.773 1.00 0.00 N ATOM 0 H GLN A 124 -10.556 0.432 -5.037 1.00 0.00 H new ATOM 0 HA GLN A 124 -11.261 2.624 -6.736 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.732 1.003 -8.335 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.465 0.273 -7.369 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.315 -0.946 -6.075 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -13.435 -0.369 -7.293 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.301 -2.152 -6.982 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -10.588 -3.209 -8.369 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.696 1.472 -4.912 1.00 0.00 N ATOM 2004 CA ASP A 125 -15.059 1.743 -4.445 1.00 0.00 C ATOM 2005 C ASP A 125 -15.149 3.018 -3.580 1.00 0.00 C ATOM 2006 O ASP A 125 -16.246 3.445 -3.217 1.00 0.00 O ATOM 2007 CB ASP A 125 -15.622 0.505 -3.729 1.00 0.00 C ATOM 2008 CG ASP A 125 -17.130 0.620 -3.438 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -17.560 0.264 -2.314 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -17.896 1.040 -4.340 1.00 0.00 O ATOM 0 H ASP A 125 -13.202 0.795 -4.330 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.681 1.945 -5.317 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.441 -0.378 -4.342 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -15.086 0.357 -2.792 1.00 0.00 H new ATOM 2015 N HIS A 126 -14.018 3.682 -3.310 1.00 0.00 N ATOM 2016 CA HIS A 126 -14.017 5.096 -2.931 1.00 0.00 C ATOM 2017 C HIS A 126 -13.945 6.013 -4.155 1.00 0.00 C ATOM 2018 O HIS A 126 -14.675 6.997 -4.222 1.00 0.00 O ATOM 2019 CB HIS A 126 -12.896 5.406 -1.928 1.00 0.00 C ATOM 2020 CG HIS A 126 -12.976 6.836 -1.447 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -13.774 7.287 -0.391 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -12.412 7.916 -2.065 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -13.680 8.627 -0.403 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -12.879 9.031 -1.403 1.00 0.00 N ATOM 0 H HIS A 126 -13.091 3.259 -3.348 1.00 0.00 H new ATOM 0 HA HIS A 126 -14.967 5.298 -2.435 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -12.968 4.728 -1.077 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.927 5.230 -2.395 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.734 7.899 -2.906 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -14.178 9.286 0.293 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -12.654 9.999 -1.633 1.00 0.00 H new ATOM 2032 N PHE A 127 -13.106 5.692 -5.143 1.00 0.00 N ATOM 2033 CA PHE A 127 -12.834 6.573 -6.284 1.00 0.00 C ATOM 2034 C PHE A 127 -13.836 6.481 -7.441 1.00 0.00 C ATOM 2035 O PHE A 127 -13.752 7.310 -8.344 1.00 0.00 O ATOM 2036 CB PHE A 127 -11.394 6.348 -6.768 1.00 0.00 C ATOM 2037 CG PHE A 127 -10.333 6.972 -5.884 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -10.258 8.373 -5.768 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -9.391 6.168 -5.217 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -9.228 8.966 -5.018 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -8.354 6.760 -4.476 1.00 0.00 C ATOM 2042 CZ PHE A 127 -8.270 8.159 -4.385 1.00 0.00 C ATOM 0 H PHE A 127 -12.594 4.811 -5.175 1.00 0.00 H new ATOM 0 HA PHE A 127 -12.959 7.591 -5.916 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -11.209 5.276 -6.835 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -11.295 6.752 -7.775 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -10.994 8.994 -6.257 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -9.465 5.092 -5.275 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -9.174 10.041 -4.929 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -7.623 6.140 -3.978 1.00 0.00 H new ATOM 0 HZ PHE A 127 -7.466 8.615 -3.826 1.00 0.00 H new ATOM 2052 N LYS A 128 -14.796 5.544 -7.450 1.00 0.00 N ATOM 2053 CA LYS A 128 -15.702 5.332 -8.602 1.00 0.00 C ATOM 2054 C LYS A 128 -16.408 6.594 -9.126 1.00 0.00 C ATOM 2055 O LYS A 128 -16.542 6.765 -10.337 1.00 0.00 O ATOM 2056 CB LYS A 128 -16.680 4.165 -8.369 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.879 4.426 -7.446 1.00 0.00 C ATOM 2058 CD LYS A 128 -17.465 4.581 -5.981 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.665 4.650 -5.035 1.00 0.00 C ATOM 2060 NZ LYS A 128 -19.363 3.343 -4.905 1.00 0.00 N ATOM 0 H LYS A 128 -14.970 4.913 -6.668 1.00 0.00 H new ATOM 0 HA LYS A 128 -15.035 5.047 -9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -17.063 3.847 -9.339 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.115 3.328 -7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -18.395 5.329 -7.772 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -18.588 3.603 -7.535 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -16.830 3.742 -5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.867 5.486 -5.870 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.330 4.979 -4.051 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.368 5.399 -5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -20.147 3.434 -4.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -19.737 3.056 -5.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -18.693 2.624 -4.564 1.00 0.00 H new