USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 661 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 Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -36:sc= 0.327 USER MOD Single : A 23 SER OG : rot 57:sc= 0.329 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.169 USER MOD Single : A 36 HIS : no HD1:sc= -6.27! C(o=-6.3!,f=-5.8!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -143:sc= -0.152 (180deg=-0.32) USER MOD Single : A 49 SER OG : rot 180:sc= -0.126 USER MOD Single : A 50 SER OG : rot 82:sc= 1.4 USER MOD Single : A 51 LYS NZ :NH3+ 150:sc= -0.371 (180deg=-1.75!) USER MOD Single : A 54 ASN : amide:sc= -0.0178 X(o=-0.018,f=-0.017) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -2.57 K(o=-2.6,f=-0.15) USER MOD Single : A 77 MET CE :methyl 170:sc= -4.17 (180deg=-4.37) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 164 N LEU A 14 9.885 29.377 -7.841 1.00 0.00 N ATOM 165 CA LEU A 14 8.693 28.555 -8.021 1.00 0.00 C ATOM 166 C LEU A 14 9.009 27.080 -7.795 1.00 0.00 C ATOM 167 O LEU A 14 10.093 26.606 -8.137 1.00 0.00 O ATOM 168 CB LEU A 14 8.118 28.755 -9.424 1.00 0.00 C ATOM 169 CG LEU A 14 7.117 27.701 -9.896 1.00 0.00 C ATOM 170 CD1 LEU A 14 5.857 27.741 -9.045 1.00 0.00 C ATOM 171 CD2 LEU A 14 6.777 27.908 -11.365 1.00 0.00 C ATOM 0 HA LEU A 14 7.953 28.867 -7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.632 29.730 -9.460 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.945 28.785 -10.133 1.00 0.00 H new ATOM 0 HG LEU A 14 7.575 26.718 -9.784 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.156 26.983 -9.396 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.114 27.543 -8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.396 28.726 -9.123 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.063 27.149 -11.684 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.340 28.897 -11.501 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.684 27.827 -11.963 1.00 0.00 H new ATOM 183 N LYS A 15 8.055 26.357 -7.217 1.00 0.00 N ATOM 184 CA LYS A 15 8.230 24.935 -6.948 1.00 0.00 C ATOM 185 C LYS A 15 6.948 24.163 -7.248 1.00 0.00 C ATOM 186 O LYS A 15 5.874 24.751 -7.378 1.00 0.00 O ATOM 187 CB LYS A 15 8.638 24.717 -5.489 1.00 0.00 C ATOM 188 CG LYS A 15 9.711 25.679 -5.008 1.00 0.00 C ATOM 189 CD LYS A 15 10.464 25.121 -3.812 1.00 0.00 C ATOM 190 CE LYS A 15 9.678 25.304 -2.523 1.00 0.00 C ATOM 191 NZ LYS A 15 10.279 24.543 -1.394 1.00 0.00 N ATOM 0 H LYS A 15 7.153 26.733 -6.926 1.00 0.00 H new ATOM 0 HA LYS A 15 9.020 24.562 -7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.758 24.821 -4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.998 23.695 -5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.411 25.879 -5.819 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.253 26.631 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.665 24.061 -3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.430 25.619 -3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.641 26.363 -2.268 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.650 24.976 -2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.714 24.694 -0.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.292 23.529 -1.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.252 24.873 -1.232 1.00 0.00 H new ATOM 205 N TYR A 16 7.069 22.845 -7.356 1.00 0.00 N ATOM 206 CA TYR A 16 5.920 21.994 -7.642 1.00 0.00 C ATOM 207 C TYR A 16 6.150 20.577 -7.124 1.00 0.00 C ATOM 208 O TYR A 16 7.268 20.065 -7.160 1.00 0.00 O ATOM 209 CB TYR A 16 5.646 21.960 -9.147 1.00 0.00 C ATOM 210 CG TYR A 16 6.893 21.799 -9.986 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.612 22.907 -10.417 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.353 20.539 -10.349 1.00 0.00 C ATOM 213 CE1 TYR A 16 8.752 22.765 -11.185 1.00 0.00 C ATOM 214 CE2 TYR A 16 8.492 20.387 -11.115 1.00 0.00 C ATOM 215 CZ TYR A 16 9.188 21.503 -11.531 1.00 0.00 C ATOM 216 OH TYR A 16 10.323 21.357 -12.295 1.00 0.00 O ATOM 0 H TYR A 16 7.950 22.343 -7.250 1.00 0.00 H new ATOM 0 HA TYR A 16 5.053 22.413 -7.131 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.963 21.139 -9.365 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.140 22.881 -9.437 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.274 23.897 -10.147 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.810 19.663 -10.026 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.298 23.637 -11.512 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.836 19.400 -11.387 1.00 0.00 H new ATOM 0 HH TYR A 16 10.493 20.404 -12.449 1.00 0.00 H new ATOM 226 N GLU A 17 5.081 19.950 -6.643 1.00 0.00 N ATOM 227 CA GLU A 17 5.166 18.592 -6.117 1.00 0.00 C ATOM 228 C GLU A 17 4.137 17.685 -6.786 1.00 0.00 C ATOM 229 O GLU A 17 2.936 17.950 -6.740 1.00 0.00 O ATOM 230 CB GLU A 17 4.951 18.594 -4.602 1.00 0.00 C ATOM 231 CG GLU A 17 5.396 17.310 -3.923 1.00 0.00 C ATOM 232 CD GLU A 17 5.464 17.442 -2.413 1.00 0.00 C ATOM 233 OE1 GLU A 17 4.451 17.850 -1.808 1.00 0.00 O ATOM 234 OE2 GLU A 17 6.529 17.136 -1.838 1.00 0.00 O ATOM 0 H GLU A 17 4.148 20.360 -6.607 1.00 0.00 H new ATOM 0 HA GLU A 17 6.162 18.207 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.495 19.432 -4.167 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.894 18.758 -4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.706 16.508 -4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.376 17.023 -4.303 1.00 0.00 H new ATOM 241 N ASP A 18 4.618 16.614 -7.407 1.00 0.00 N ATOM 242 CA ASP A 18 3.742 15.666 -8.086 1.00 0.00 C ATOM 243 C ASP A 18 2.803 14.987 -7.093 1.00 0.00 C ATOM 244 O ASP A 18 3.245 14.422 -6.092 1.00 0.00 O ATOM 245 CB ASP A 18 4.569 14.614 -8.826 1.00 0.00 C ATOM 246 CG ASP A 18 5.620 13.975 -7.940 1.00 0.00 C ATOM 247 OD1 ASP A 18 6.750 14.505 -7.884 1.00 0.00 O ATOM 248 OD2 ASP A 18 5.314 12.945 -7.303 1.00 0.00 O ATOM 0 H ASP A 18 5.610 16.380 -7.454 1.00 0.00 H new ATOM 0 HA ASP A 18 3.141 16.218 -8.809 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.905 13.841 -9.213 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.055 15.076 -9.685 1.00 0.00 H new ATOM 253 N LEU A 19 1.507 15.047 -7.377 1.00 0.00 N ATOM 254 CA LEU A 19 0.505 14.439 -6.508 1.00 0.00 C ATOM 255 C LEU A 19 -0.262 13.345 -7.244 1.00 0.00 C ATOM 256 O LEU A 19 -0.702 12.365 -6.641 1.00 0.00 O ATOM 257 CB LEU A 19 -0.468 15.502 -5.996 1.00 0.00 C ATOM 258 CG LEU A 19 -0.133 16.119 -4.637 1.00 0.00 C ATOM 259 CD1 LEU A 19 -1.078 17.270 -4.326 1.00 0.00 C ATOM 260 CD2 LEU A 19 -0.196 15.064 -3.542 1.00 0.00 C ATOM 0 H LEU A 19 1.125 15.510 -8.202 1.00 0.00 H new ATOM 0 HA LEU A 19 1.021 13.989 -5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.521 16.303 -6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.462 15.058 -5.936 1.00 0.00 H new ATOM 0 HG LEU A 19 0.883 16.511 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.825 17.697 -3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.983 18.036 -5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.104 16.903 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.045 15.521 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.200 14.642 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.522 14.273 -3.758 1.00 0.00 H new ATOM 272 N THR A 20 -0.417 13.516 -8.554 1.00 0.00 N ATOM 273 CA THR A 20 -1.130 12.544 -9.373 1.00 0.00 C ATOM 274 C THR A 20 -0.767 12.695 -10.846 1.00 0.00 C ATOM 275 O THR A 20 -0.970 13.754 -11.438 1.00 0.00 O ATOM 276 CB THR A 20 -2.655 12.686 -9.215 1.00 0.00 C ATOM 277 OG1 THR A 20 -2.984 12.943 -7.845 1.00 0.00 O ATOM 278 CG2 THR A 20 -3.367 11.427 -9.685 1.00 0.00 C ATOM 0 H THR A 20 -0.058 14.319 -9.070 1.00 0.00 H new ATOM 0 HA THR A 20 -0.827 11.556 -9.026 1.00 0.00 H new ATOM 0 HB THR A 20 -2.985 13.523 -9.831 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.379 12.438 -7.263 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.443 11.551 -9.564 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.138 11.250 -10.736 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.031 10.576 -9.093 1.00 0.00 H new ATOM 286 N GLU A 21 -0.229 11.629 -11.430 1.00 0.00 N ATOM 287 CA GLU A 21 0.162 11.645 -12.835 1.00 0.00 C ATOM 288 C GLU A 21 -1.040 11.931 -13.731 1.00 0.00 C ATOM 289 O GLU A 21 -2.168 11.556 -13.414 1.00 0.00 O ATOM 290 CB GLU A 21 0.796 10.308 -13.226 1.00 0.00 C ATOM 291 CG GLU A 21 1.382 10.300 -14.628 1.00 0.00 C ATOM 292 CD GLU A 21 2.329 9.138 -14.857 1.00 0.00 C ATOM 293 OE1 GLU A 21 3.397 9.105 -14.210 1.00 0.00 O ATOM 294 OE2 GLU A 21 2.001 8.261 -15.684 1.00 0.00 O ATOM 0 H GLU A 21 -0.054 10.745 -10.953 1.00 0.00 H new ATOM 0 HA GLU A 21 0.894 12.441 -12.973 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.582 10.065 -12.511 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.044 9.523 -13.151 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.572 10.253 -15.356 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.913 11.236 -14.801 1.00 0.00 H new ATOM 301 N GLY A 22 -0.789 12.598 -14.853 1.00 0.00 N ATOM 302 CA GLY A 22 -1.859 12.924 -15.778 1.00 0.00 C ATOM 303 C GLY A 22 -1.523 12.551 -17.208 1.00 0.00 C ATOM 304 O GLY A 22 -0.854 13.306 -17.914 1.00 0.00 O ATOM 0 H GLY A 22 0.136 12.919 -15.138 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.768 12.405 -15.474 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.069 13.992 -15.724 1.00 0.00 H new ATOM 308 N SER A 23 -1.987 11.381 -17.637 1.00 0.00 N ATOM 309 CA SER A 23 -1.727 10.906 -18.991 1.00 0.00 C ATOM 310 C SER A 23 -2.853 11.315 -19.936 1.00 0.00 C ATOM 311 O SER A 23 -3.578 10.470 -20.459 1.00 0.00 O ATOM 312 CB SER A 23 -1.568 9.384 -18.998 1.00 0.00 C ATOM 313 OG SER A 23 -2.723 8.748 -18.478 1.00 0.00 O ATOM 0 H SER A 23 -2.545 10.745 -17.067 1.00 0.00 H new ATOM 0 HA SER A 23 -0.800 11.363 -19.338 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.386 9.039 -20.016 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.697 9.104 -18.406 1.00 0.00 H new ATOM 0 HG SER A 23 -3.508 9.018 -18.999 1.00 0.00 H new ATOM 319 N GLY A 24 -2.993 12.620 -20.149 1.00 0.00 N ATOM 320 CA GLY A 24 -4.032 13.120 -21.030 1.00 0.00 C ATOM 321 C GLY A 24 -3.479 13.983 -22.147 1.00 0.00 C ATOM 322 O GLY A 24 -3.379 13.540 -23.291 1.00 0.00 O ATOM 0 H GLY A 24 -2.406 13.339 -19.727 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.575 12.279 -21.460 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.749 13.699 -20.449 1.00 0.00 H new ATOM 326 N ALA A 25 -3.121 15.219 -21.816 1.00 0.00 N ATOM 327 CA ALA A 25 -2.575 16.146 -22.799 1.00 0.00 C ATOM 328 C ALA A 25 -2.032 17.403 -22.128 1.00 0.00 C ATOM 329 O ALA A 25 -2.668 17.966 -21.238 1.00 0.00 O ATOM 330 CB ALA A 25 -3.637 16.512 -23.826 1.00 0.00 C ATOM 0 H ALA A 25 -3.199 15.602 -20.874 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.748 15.651 -23.307 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.215 17.205 -24.554 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.975 15.610 -24.337 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.482 16.983 -23.324 1.00 0.00 H new ATOM 336 N GLU A 26 -0.852 17.836 -22.559 1.00 0.00 N ATOM 337 CA GLU A 26 -0.223 19.025 -21.997 1.00 0.00 C ATOM 338 C GLU A 26 -0.987 20.284 -22.396 1.00 0.00 C ATOM 339 O GLU A 26 -1.360 20.455 -23.556 1.00 0.00 O ATOM 340 CB GLU A 26 1.231 19.129 -22.462 1.00 0.00 C ATOM 341 CG GLU A 26 1.946 20.370 -21.954 1.00 0.00 C ATOM 342 CD GLU A 26 3.266 20.612 -22.659 1.00 0.00 C ATOM 343 OE1 GLU A 26 3.269 20.677 -23.906 1.00 0.00 O ATOM 344 OE2 GLU A 26 4.296 20.737 -21.964 1.00 0.00 O ATOM 0 H GLU A 26 -0.312 17.381 -23.295 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.244 18.936 -20.911 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.774 18.245 -22.128 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.256 19.126 -23.552 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.301 21.238 -22.091 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.123 20.270 -20.883 1.00 0.00 H new ATOM 351 N ALA A 27 -1.216 21.163 -21.426 1.00 0.00 N ATOM 352 CA ALA A 27 -1.933 22.407 -21.675 1.00 0.00 C ATOM 353 C ALA A 27 -1.289 23.194 -22.811 1.00 0.00 C ATOM 354 O ALA A 27 -0.070 23.357 -22.852 1.00 0.00 O ATOM 355 CB ALA A 27 -1.984 23.249 -20.409 1.00 0.00 C ATOM 0 H ALA A 27 -0.915 21.036 -20.460 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.951 22.157 -21.973 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.522 24.175 -20.610 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.497 22.694 -19.623 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.969 23.482 -20.086 1.00 0.00 H new ATOM 361 N ARG A 28 -2.116 23.680 -23.731 1.00 0.00 N ATOM 362 CA ARG A 28 -1.626 24.448 -24.869 1.00 0.00 C ATOM 363 C ARG A 28 -1.778 25.946 -24.619 1.00 0.00 C ATOM 364 O ARG A 28 -2.583 26.369 -23.790 1.00 0.00 O ATOM 365 CB ARG A 28 -2.379 24.054 -26.141 1.00 0.00 C ATOM 366 CG ARG A 28 -1.967 22.701 -26.697 1.00 0.00 C ATOM 367 CD ARG A 28 -0.795 22.827 -27.658 1.00 0.00 C ATOM 368 NE ARG A 28 -0.828 21.803 -28.699 1.00 0.00 N ATOM 369 CZ ARG A 28 -1.595 21.881 -29.781 1.00 0.00 C ATOM 370 NH1 ARG A 28 -2.387 22.929 -29.963 1.00 0.00 N ATOM 371 NH2 ARG A 28 -1.570 20.909 -30.685 1.00 0.00 N ATOM 0 H ARG A 28 -3.128 23.555 -23.710 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.567 24.223 -24.998 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.448 24.041 -25.931 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.213 24.816 -26.902 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.696 22.036 -25.877 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.813 22.245 -27.211 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.810 23.814 -28.120 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.139 22.749 -27.102 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.230 20.984 -28.589 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.409 23.678 -29.271 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.975 22.986 -30.795 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.962 20.102 -30.549 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.159 20.970 -31.515 1.00 0.00 H new ATOM 385 N ALA A 29 -0.998 26.743 -25.342 1.00 0.00 N ATOM 386 CA ALA A 29 -1.047 28.193 -25.200 1.00 0.00 C ATOM 387 C ALA A 29 -2.038 28.808 -26.183 1.00 0.00 C ATOM 388 O ALA A 29 -2.233 28.296 -27.284 1.00 0.00 O ATOM 389 CB ALA A 29 0.338 28.790 -25.401 1.00 0.00 C ATOM 0 H ALA A 29 -0.325 26.409 -26.032 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.387 28.423 -24.190 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.287 29.873 -25.292 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.021 28.383 -24.656 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.700 28.542 -26.399 1.00 0.00 H new ATOM 395 N GLY A 30 -2.662 29.909 -25.776 1.00 0.00 N ATOM 396 CA GLY A 30 -3.626 30.575 -26.632 1.00 0.00 C ATOM 397 C GLY A 30 -4.989 29.912 -26.595 1.00 0.00 C ATOM 398 O GLY A 30 -5.926 30.371 -27.247 1.00 0.00 O ATOM 0 H GLY A 30 -2.517 30.352 -24.869 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.723 31.616 -26.324 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.255 30.580 -27.657 1.00 0.00 H new ATOM 402 N GLN A 31 -5.099 28.830 -25.832 1.00 0.00 N ATOM 403 CA GLN A 31 -6.357 28.102 -25.715 1.00 0.00 C ATOM 404 C GLN A 31 -6.868 28.126 -24.278 1.00 0.00 C ATOM 405 O GLN A 31 -6.088 28.243 -23.332 1.00 0.00 O ATOM 406 CB GLN A 31 -6.180 26.657 -26.182 1.00 0.00 C ATOM 407 CG GLN A 31 -5.998 26.521 -27.685 1.00 0.00 C ATOM 408 CD GLN A 31 -5.186 25.299 -28.067 1.00 0.00 C ATOM 409 OE1 GLN A 31 -4.080 25.415 -28.596 1.00 0.00 O ATOM 410 NE2 GLN A 31 -5.732 24.118 -27.801 1.00 0.00 N ATOM 0 H GLN A 31 -4.332 28.438 -25.285 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.093 28.594 -26.351 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.315 26.225 -25.679 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.050 26.076 -25.876 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.977 26.466 -28.162 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.506 27.414 -28.070 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.651 24.068 -27.362 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.232 23.260 -28.036 1.00 0.00 H new ATOM 419 N THR A 32 -8.183 28.013 -24.121 1.00 0.00 N ATOM 420 CA THR A 32 -8.799 28.023 -22.800 1.00 0.00 C ATOM 421 C THR A 32 -8.655 26.669 -22.116 1.00 0.00 C ATOM 422 O THR A 32 -9.109 25.649 -22.635 1.00 0.00 O ATOM 423 CB THR A 32 -10.293 28.389 -22.879 1.00 0.00 C ATOM 424 OG1 THR A 32 -10.474 29.527 -23.730 1.00 0.00 O ATOM 425 CG2 THR A 32 -10.850 28.691 -21.496 1.00 0.00 C ATOM 0 H THR A 32 -8.842 27.913 -24.893 1.00 0.00 H new ATOM 0 HA THR A 32 -8.278 28.780 -22.214 1.00 0.00 H new ATOM 0 HB THR A 32 -10.832 27.537 -23.292 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.427 29.752 -23.777 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.906 28.947 -21.577 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.737 27.814 -20.859 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.306 29.529 -21.060 1.00 0.00 H new ATOM 433 N VAL A 33 -8.020 26.665 -20.948 1.00 0.00 N ATOM 434 CA VAL A 33 -7.818 25.435 -20.191 1.00 0.00 C ATOM 435 C VAL A 33 -8.591 25.464 -18.878 1.00 0.00 C ATOM 436 O VAL A 33 -8.540 26.446 -18.137 1.00 0.00 O ATOM 437 CB VAL A 33 -6.326 25.200 -19.891 1.00 0.00 C ATOM 438 CG1 VAL A 33 -5.716 26.423 -19.223 1.00 0.00 C ATOM 439 CG2 VAL A 33 -6.146 23.963 -19.024 1.00 0.00 C ATOM 0 H VAL A 33 -7.637 27.500 -20.505 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.190 24.618 -20.809 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.805 25.034 -20.834 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.661 26.238 -19.019 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.812 27.284 -19.884 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.237 26.624 -18.287 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.086 23.812 -18.822 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.679 24.097 -18.083 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.544 23.092 -19.545 1.00 0.00 H new ATOM 449 N SER A 34 -9.307 24.380 -18.594 1.00 0.00 N ATOM 450 CA SER A 34 -10.094 24.283 -17.371 1.00 0.00 C ATOM 451 C SER A 34 -9.352 23.473 -16.311 1.00 0.00 C ATOM 452 O SER A 34 -9.051 22.296 -16.511 1.00 0.00 O ATOM 453 CB SER A 34 -11.451 23.640 -17.663 1.00 0.00 C ATOM 454 OG SER A 34 -12.197 24.418 -18.583 1.00 0.00 O ATOM 0 H SER A 34 -9.358 23.557 -19.195 1.00 0.00 H new ATOM 0 HA SER A 34 -10.252 25.291 -16.988 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.303 22.638 -18.066 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.012 23.531 -16.735 1.00 0.00 H new ATOM 0 HG SER A 34 -13.059 23.985 -18.754 1.00 0.00 H new ATOM 460 N VAL A 35 -9.061 24.113 -15.183 1.00 0.00 N ATOM 461 CA VAL A 35 -8.356 23.454 -14.090 1.00 0.00 C ATOM 462 C VAL A 35 -8.860 23.943 -12.737 1.00 0.00 C ATOM 463 O VAL A 35 -9.542 24.964 -12.648 1.00 0.00 O ATOM 464 CB VAL A 35 -6.837 23.694 -14.177 1.00 0.00 C ATOM 465 CG1 VAL A 35 -6.340 23.463 -15.596 1.00 0.00 C ATOM 466 CG2 VAL A 35 -6.492 25.098 -13.704 1.00 0.00 C ATOM 0 H VAL A 35 -9.303 25.087 -15.002 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.554 22.386 -14.184 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.336 22.981 -13.522 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.265 23.637 -15.638 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.553 22.436 -15.894 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.846 24.150 -16.275 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.415 25.250 -13.772 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.002 25.829 -14.331 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.811 25.222 -12.669 1.00 0.00 H new ATOM 476 N HIS A 36 -8.520 23.207 -11.684 1.00 0.00 N ATOM 477 CA HIS A 36 -8.937 23.566 -10.333 1.00 0.00 C ATOM 478 C HIS A 36 -7.750 24.060 -9.511 1.00 0.00 C ATOM 479 O HIS A 36 -6.693 23.430 -9.490 1.00 0.00 O ATOM 480 CB HIS A 36 -9.587 22.367 -9.642 1.00 0.00 C ATOM 481 CG HIS A 36 -11.084 22.375 -9.710 1.00 0.00 C ATOM 482 ND1 HIS A 36 -11.833 23.531 -9.657 1.00 0.00 N ATOM 483 CD2 HIS A 36 -11.970 21.359 -9.831 1.00 0.00 C ATOM 484 CE1 HIS A 36 -13.116 23.226 -9.739 1.00 0.00 C ATOM 485 NE2 HIS A 36 -13.226 21.914 -9.846 1.00 0.00 N ATOM 0 H HIS A 36 -7.957 22.358 -11.740 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.666 24.373 -10.407 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.216 21.450 -10.099 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.279 22.350 -8.597 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.733 20.308 -9.902 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -13.935 23.930 -9.722 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -14.102 21.397 -9.927 1.00 0.00 H new ATOM 493 N TYR A 37 -7.934 25.189 -8.837 1.00 0.00 N ATOM 494 CA TYR A 37 -6.877 25.770 -8.016 1.00 0.00 C ATOM 495 C TYR A 37 -7.289 25.812 -6.548 1.00 0.00 C ATOM 496 O TYR A 37 -8.452 26.056 -6.223 1.00 0.00 O ATOM 497 CB TYR A 37 -6.540 27.180 -8.504 1.00 0.00 C ATOM 498 CG TYR A 37 -7.658 28.176 -8.294 1.00 0.00 C ATOM 499 CD1 TYR A 37 -7.856 28.778 -7.058 1.00 0.00 C ATOM 500 CD2 TYR A 37 -8.515 28.517 -9.333 1.00 0.00 C ATOM 501 CE1 TYR A 37 -8.876 29.688 -6.862 1.00 0.00 C ATOM 502 CE2 TYR A 37 -9.537 29.427 -9.147 1.00 0.00 C ATOM 503 CZ TYR A 37 -9.714 30.010 -7.909 1.00 0.00 C ATOM 504 OH TYR A 37 -10.731 30.917 -7.719 1.00 0.00 O ATOM 0 H TYR A 37 -8.804 25.721 -8.842 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.992 25.140 -8.108 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.649 27.532 -7.985 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.295 27.139 -9.565 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -7.201 28.530 -6.236 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.380 28.062 -10.303 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -9.017 30.145 -5.894 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.194 29.681 -9.966 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.227 31.032 -8.556 1.00 0.00 H new ATOM 514 N THR A 38 -6.326 25.573 -5.663 1.00 0.00 N ATOM 515 CA THR A 38 -6.587 25.583 -4.229 1.00 0.00 C ATOM 516 C THR A 38 -5.489 26.326 -3.476 1.00 0.00 C ATOM 517 O THR A 38 -4.338 25.893 -3.450 1.00 0.00 O ATOM 518 CB THR A 38 -6.700 24.153 -3.669 1.00 0.00 C ATOM 519 OG1 THR A 38 -6.844 23.216 -4.742 1.00 0.00 O ATOM 520 CG2 THR A 38 -7.887 24.034 -2.724 1.00 0.00 C ATOM 0 H THR A 38 -5.358 25.370 -5.914 1.00 0.00 H new ATOM 0 HA THR A 38 -7.536 26.098 -4.084 1.00 0.00 H new ATOM 0 HB THR A 38 -5.789 23.932 -3.113 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.914 22.309 -4.377 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.947 23.015 -2.341 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.761 24.727 -1.892 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.805 24.274 -3.261 1.00 0.00 H new ATOM 528 N GLY A 39 -5.853 27.448 -2.862 1.00 0.00 N ATOM 529 CA GLY A 39 -4.887 28.232 -2.116 1.00 0.00 C ATOM 530 C GLY A 39 -4.794 27.808 -0.664 1.00 0.00 C ATOM 531 O GLY A 39 -5.805 27.729 0.033 1.00 0.00 O ATOM 0 H GLY A 39 -6.800 27.828 -2.868 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.907 28.135 -2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.162 29.286 -2.167 1.00 0.00 H new ATOM 535 N TRP A 40 -3.577 27.533 -0.207 1.00 0.00 N ATOM 536 CA TRP A 40 -3.356 27.112 1.172 1.00 0.00 C ATOM 537 C TRP A 40 -2.246 27.933 1.820 1.00 0.00 C ATOM 538 O TRP A 40 -1.196 28.161 1.217 1.00 0.00 O ATOM 539 CB TRP A 40 -3.003 25.625 1.222 1.00 0.00 C ATOM 540 CG TRP A 40 -4.194 24.726 1.078 1.00 0.00 C ATOM 541 CD1 TRP A 40 -5.388 24.837 1.732 1.00 0.00 C ATOM 542 CD2 TRP A 40 -4.304 23.579 0.229 1.00 0.00 C ATOM 543 NE1 TRP A 40 -6.234 23.828 1.340 1.00 0.00 N ATOM 544 CE2 TRP A 40 -5.593 23.043 0.418 1.00 0.00 C ATOM 545 CE3 TRP A 40 -3.441 22.954 -0.674 1.00 0.00 C ATOM 546 CZ2 TRP A 40 -6.036 21.912 -0.263 1.00 0.00 C ATOM 547 CZ3 TRP A 40 -3.882 21.831 -1.349 1.00 0.00 C ATOM 548 CH2 TRP A 40 -5.170 21.320 -1.141 1.00 0.00 C ATOM 0 H TRP A 40 -2.729 27.594 -0.771 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.278 27.278 1.729 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.290 25.401 0.428 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.506 25.409 2.168 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.631 25.605 2.451 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -7.185 23.686 1.680 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.447 23.341 -0.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -7.028 21.516 -0.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -3.222 21.339 -2.049 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.485 20.442 -1.684 1.00 0.00 H new ATOM 559 N LEU A 41 -2.484 28.374 3.050 1.00 0.00 N ATOM 560 CA LEU A 41 -1.504 29.170 3.780 1.00 0.00 C ATOM 561 C LEU A 41 -0.313 28.315 4.201 1.00 0.00 C ATOM 562 O LEU A 41 -0.325 27.093 4.045 1.00 0.00 O ATOM 563 CB LEU A 41 -2.150 29.806 5.012 1.00 0.00 C ATOM 564 CG LEU A 41 -2.571 31.269 4.868 1.00 0.00 C ATOM 565 CD1 LEU A 41 -3.288 31.744 6.123 1.00 0.00 C ATOM 566 CD2 LEU A 41 -1.362 32.147 4.579 1.00 0.00 C ATOM 0 H LEU A 41 -3.347 28.194 3.563 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.146 29.958 3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.029 29.220 5.280 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.451 29.730 5.845 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.261 31.347 4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.580 32.787 6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.177 31.135 6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.621 31.651 6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.681 33.184 4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.648 32.064 5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.890 31.822 3.652 1.00 0.00 H new ATOM 578 N THR A 42 0.715 28.964 4.739 1.00 0.00 N ATOM 579 CA THR A 42 1.913 28.264 5.184 1.00 0.00 C ATOM 580 C THR A 42 1.570 27.169 6.187 1.00 0.00 C ATOM 581 O THR A 42 2.278 26.168 6.295 1.00 0.00 O ATOM 582 CB THR A 42 2.925 29.233 5.825 1.00 0.00 C ATOM 583 OG1 THR A 42 2.334 29.878 6.958 1.00 0.00 O ATOM 584 CG2 THR A 42 3.383 30.280 4.820 1.00 0.00 C ATOM 0 H THR A 42 0.741 29.974 4.877 1.00 0.00 H new ATOM 0 HA THR A 42 2.363 27.814 4.299 1.00 0.00 H new ATOM 0 HB THR A 42 3.793 28.658 6.147 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.984 30.491 7.361 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.097 30.953 5.295 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.858 29.787 3.972 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.522 30.851 4.472 1.00 0.00 H new ATOM 592 N ASP A 43 0.479 27.365 6.919 1.00 0.00 N ATOM 593 CA ASP A 43 0.040 26.393 7.913 1.00 0.00 C ATOM 594 C ASP A 43 -0.945 25.399 7.304 1.00 0.00 C ATOM 595 O ASP A 43 -1.148 24.308 7.833 1.00 0.00 O ATOM 596 CB ASP A 43 -0.605 27.104 9.103 1.00 0.00 C ATOM 597 CG ASP A 43 0.210 28.290 9.580 1.00 0.00 C ATOM 598 OD1 ASP A 43 1.326 28.073 10.096 1.00 0.00 O ATOM 599 OD2 ASP A 43 -0.269 29.435 9.438 1.00 0.00 O ATOM 0 H ASP A 43 -0.118 28.189 6.843 1.00 0.00 H new ATOM 0 HA ASP A 43 0.916 25.844 8.259 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.603 27.442 8.823 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.726 26.396 9.923 1.00 0.00 H new ATOM 604 N GLY A 44 -1.554 25.787 6.187 1.00 0.00 N ATOM 605 CA GLY A 44 -2.511 24.919 5.525 1.00 0.00 C ATOM 606 C GLY A 44 -3.904 25.516 5.485 1.00 0.00 C ATOM 607 O GLY A 44 -4.851 24.866 5.043 1.00 0.00 O ATOM 0 H GLY A 44 -1.402 26.686 5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.174 24.721 4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.545 23.960 6.041 1.00 0.00 H new ATOM 611 N GLN A 45 -4.029 26.755 5.950 1.00 0.00 N ATOM 612 CA GLN A 45 -5.317 27.437 5.968 1.00 0.00 C ATOM 613 C GLN A 45 -5.783 27.757 4.551 1.00 0.00 C ATOM 614 O GLN A 45 -5.139 28.522 3.832 1.00 0.00 O ATOM 615 CB GLN A 45 -5.225 28.724 6.790 1.00 0.00 C ATOM 616 CG GLN A 45 -6.517 29.081 7.507 1.00 0.00 C ATOM 617 CD GLN A 45 -6.320 30.144 8.570 1.00 0.00 C ATOM 618 OE1 GLN A 45 -5.726 29.888 9.618 1.00 0.00 O ATOM 619 NE2 GLN A 45 -6.818 31.346 8.305 1.00 0.00 N ATOM 0 H GLN A 45 -3.254 27.306 6.319 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.046 26.771 6.429 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.428 28.619 7.526 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.945 29.547 6.132 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.247 29.432 6.778 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.932 28.185 7.968 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.303 31.514 7.424 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.715 32.101 8.983 1.00 0.00 H new ATOM 628 N LYS A 46 -6.905 27.166 4.155 1.00 0.00 N ATOM 629 CA LYS A 46 -7.459 27.388 2.825 1.00 0.00 C ATOM 630 C LYS A 46 -8.028 28.798 2.701 1.00 0.00 C ATOM 631 O LYS A 46 -8.842 29.224 3.520 1.00 0.00 O ATOM 632 CB LYS A 46 -8.550 26.358 2.526 1.00 0.00 C ATOM 633 CG LYS A 46 -8.991 26.343 1.072 1.00 0.00 C ATOM 634 CD LYS A 46 -9.590 25.001 0.685 1.00 0.00 C ATOM 635 CE LYS A 46 -10.898 24.743 1.418 1.00 0.00 C ATOM 636 NZ LYS A 46 -11.997 25.612 0.914 1.00 0.00 N ATOM 0 H LYS A 46 -7.449 26.529 4.737 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.653 27.275 2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.186 25.367 2.797 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.415 26.564 3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.725 27.132 0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.138 26.560 0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.763 24.975 -0.391 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.881 24.205 0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.180 23.697 1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.757 24.918 2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.604 25.899 1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.592 26.458 0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.563 25.087 0.218 1.00 0.00 H new ATOM 650 N PHE A 47 -7.597 29.517 1.670 1.00 0.00 N ATOM 651 CA PHE A 47 -8.064 30.878 1.438 1.00 0.00 C ATOM 652 C PHE A 47 -8.554 31.048 0.003 1.00 0.00 C ATOM 653 O PHE A 47 -8.721 32.169 -0.479 1.00 0.00 O ATOM 654 CB PHE A 47 -6.945 31.881 1.729 1.00 0.00 C ATOM 655 CG PHE A 47 -5.700 31.639 0.925 1.00 0.00 C ATOM 656 CD1 PHE A 47 -5.633 32.022 -0.405 1.00 0.00 C ATOM 657 CD2 PHE A 47 -4.596 31.029 1.499 1.00 0.00 C ATOM 658 CE1 PHE A 47 -4.488 31.800 -1.147 1.00 0.00 C ATOM 659 CE2 PHE A 47 -3.449 30.805 0.762 1.00 0.00 C ATOM 660 CZ PHE A 47 -3.395 31.192 -0.563 1.00 0.00 C ATOM 0 H PHE A 47 -6.924 29.179 0.982 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.898 31.069 2.113 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.309 32.888 1.526 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.697 31.839 2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.485 32.499 -0.867 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.633 30.725 2.535 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.449 32.102 -2.183 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.596 30.328 1.221 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.499 31.019 -1.141 1.00 0.00 H new ATOM 670 N ASP A 48 -8.782 29.929 -0.675 1.00 0.00 N ATOM 671 CA ASP A 48 -9.254 29.952 -2.054 1.00 0.00 C ATOM 672 C ASP A 48 -9.467 28.536 -2.580 1.00 0.00 C ATOM 673 O ASP A 48 -8.559 27.706 -2.542 1.00 0.00 O ATOM 674 CB ASP A 48 -8.255 30.695 -2.944 1.00 0.00 C ATOM 675 CG ASP A 48 -8.930 31.696 -3.861 1.00 0.00 C ATOM 676 OD1 ASP A 48 -10.141 31.539 -4.122 1.00 0.00 O ATOM 677 OD2 ASP A 48 -8.247 32.637 -4.318 1.00 0.00 O ATOM 0 H ASP A 48 -8.647 28.994 -0.291 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.210 30.476 -2.076 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.529 31.213 -2.317 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.700 29.973 -3.544 1.00 0.00 H new ATOM 682 N SER A 49 -10.673 28.268 -3.069 1.00 0.00 N ATOM 683 CA SER A 49 -11.008 26.950 -3.598 1.00 0.00 C ATOM 684 C SER A 49 -12.114 27.050 -4.644 1.00 0.00 C ATOM 685 O SER A 49 -13.275 27.292 -4.314 1.00 0.00 O ATOM 686 CB SER A 49 -11.443 26.018 -2.466 1.00 0.00 C ATOM 687 OG SER A 49 -11.181 24.664 -2.791 1.00 0.00 O ATOM 0 H SER A 49 -11.435 28.945 -3.110 1.00 0.00 H new ATOM 0 HA SER A 49 -10.118 26.540 -4.074 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.916 26.284 -1.549 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.507 26.149 -2.272 1.00 0.00 H new ATOM 0 HG SER A 49 -11.466 24.089 -2.051 1.00 0.00 H new ATOM 693 N SER A 50 -11.745 26.861 -5.907 1.00 0.00 N ATOM 694 CA SER A 50 -12.705 26.933 -7.002 1.00 0.00 C ATOM 695 C SER A 50 -13.856 25.957 -6.781 1.00 0.00 C ATOM 696 O SER A 50 -14.959 26.152 -7.293 1.00 0.00 O ATOM 697 CB SER A 50 -12.014 26.632 -8.334 1.00 0.00 C ATOM 698 OG SER A 50 -11.929 27.795 -9.139 1.00 0.00 O ATOM 0 H SER A 50 -10.789 26.657 -6.197 1.00 0.00 H new ATOM 0 HA SER A 50 -13.111 27.944 -7.031 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.014 26.241 -8.148 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.565 25.857 -8.866 1.00 0.00 H new ATOM 0 HG SER A 50 -11.162 28.335 -8.854 1.00 0.00 H new ATOM 704 N LYS A 51 -13.591 24.903 -6.016 1.00 0.00 N ATOM 705 CA LYS A 51 -14.603 23.895 -5.724 1.00 0.00 C ATOM 706 C LYS A 51 -15.833 24.529 -5.083 1.00 0.00 C ATOM 707 O LYS A 51 -16.951 24.037 -5.242 1.00 0.00 O ATOM 708 CB LYS A 51 -14.029 22.819 -4.799 1.00 0.00 C ATOM 709 CG LYS A 51 -12.863 22.056 -5.404 1.00 0.00 C ATOM 710 CD LYS A 51 -13.325 21.107 -6.497 1.00 0.00 C ATOM 711 CE LYS A 51 -13.710 19.749 -5.930 1.00 0.00 C ATOM 712 NZ LYS A 51 -15.092 19.752 -5.375 1.00 0.00 N ATOM 0 H LYS A 51 -12.683 24.725 -5.587 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.903 23.434 -6.665 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.703 23.287 -3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.819 22.114 -4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.140 22.761 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.352 21.492 -4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.178 21.540 -7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.530 20.983 -7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.634 18.994 -6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.005 19.469 -5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.506 18.803 -5.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.062 20.018 -4.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.674 20.437 -5.898 1.00 0.00 H new ATOM 726 N ASP A 52 -15.621 25.622 -4.359 1.00 0.00 N ATOM 727 CA ASP A 52 -16.713 26.324 -3.696 1.00 0.00 C ATOM 728 C ASP A 52 -17.821 26.665 -4.687 1.00 0.00 C ATOM 729 O ASP A 52 -19.000 26.434 -4.418 1.00 0.00 O ATOM 730 CB ASP A 52 -16.197 27.601 -3.030 1.00 0.00 C ATOM 731 CG ASP A 52 -17.307 28.407 -2.385 1.00 0.00 C ATOM 732 OD1 ASP A 52 -18.202 27.795 -1.765 1.00 0.00 O ATOM 733 OD2 ASP A 52 -17.281 29.650 -2.499 1.00 0.00 O ATOM 0 H ASP A 52 -14.702 26.041 -4.216 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.124 25.665 -2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.456 27.339 -2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.691 28.216 -3.774 1.00 0.00 H new ATOM 738 N ARG A 53 -17.435 27.216 -5.832 1.00 0.00 N ATOM 739 CA ARG A 53 -18.396 27.591 -6.863 1.00 0.00 C ATOM 740 C ARG A 53 -18.904 26.359 -7.606 1.00 0.00 C ATOM 741 O ARG A 53 -19.870 26.434 -8.364 1.00 0.00 O ATOM 742 CB ARG A 53 -17.760 28.570 -7.851 1.00 0.00 C ATOM 743 CG ARG A 53 -18.733 29.604 -8.396 1.00 0.00 C ATOM 744 CD ARG A 53 -18.929 30.753 -7.420 1.00 0.00 C ATOM 745 NE ARG A 53 -19.887 31.737 -7.917 1.00 0.00 N ATOM 746 CZ ARG A 53 -20.087 32.921 -7.350 1.00 0.00 C ATOM 747 NH1 ARG A 53 -19.398 33.267 -6.271 1.00 0.00 N ATOM 748 NH2 ARG A 53 -20.976 33.762 -7.862 1.00 0.00 N ATOM 0 H ARG A 53 -16.463 27.413 -6.070 1.00 0.00 H new ATOM 0 HA ARG A 53 -19.243 28.075 -6.377 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -16.934 29.084 -7.359 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -17.336 28.009 -8.683 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -18.361 29.991 -9.345 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -19.693 29.130 -8.599 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -19.275 30.361 -6.464 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -17.971 31.240 -7.237 1.00 0.00 H new ATOM 0 HE ARG A 53 -20.433 31.502 -8.746 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -18.713 32.623 -5.875 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -19.553 34.177 -5.837 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -21.507 33.500 -8.692 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -21.129 34.671 -7.425 1.00 0.00 H new ATOM 762 N ASN A 54 -18.245 25.227 -7.384 1.00 0.00 N ATOM 763 CA ASN A 54 -18.629 23.979 -8.034 1.00 0.00 C ATOM 764 C ASN A 54 -18.461 24.079 -9.547 1.00 0.00 C ATOM 765 O ASN A 54 -19.325 23.644 -10.308 1.00 0.00 O ATOM 766 CB ASN A 54 -20.079 23.627 -7.693 1.00 0.00 C ATOM 767 CG ASN A 54 -20.363 23.725 -6.207 1.00 0.00 C ATOM 768 OD1 ASN A 54 -21.201 24.517 -5.774 1.00 0.00 O ATOM 769 ND2 ASN A 54 -19.665 22.918 -5.416 1.00 0.00 N ATOM 0 H ASN A 54 -17.443 25.148 -6.759 1.00 0.00 H new ATOM 0 HA ASN A 54 -17.974 23.190 -7.665 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -20.749 24.296 -8.233 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -20.295 22.615 -8.035 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.814 22.939 -4.407 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -18.981 22.277 -5.817 1.00 0.00 H new ATOM 776 N ASP A 55 -17.342 24.653 -9.975 1.00 0.00 N ATOM 777 CA ASP A 55 -17.058 24.809 -11.397 1.00 0.00 C ATOM 778 C ASP A 55 -15.562 24.985 -11.636 1.00 0.00 C ATOM 779 O ASP A 55 -14.865 25.669 -10.888 1.00 0.00 O ATOM 780 CB ASP A 55 -17.822 26.008 -11.962 1.00 0.00 C ATOM 781 CG ASP A 55 -17.353 26.389 -13.353 1.00 0.00 C ATOM 782 OD1 ASP A 55 -16.375 27.157 -13.459 1.00 0.00 O ATOM 783 OD2 ASP A 55 -17.966 25.919 -14.335 1.00 0.00 O ATOM 0 H ASP A 55 -16.617 25.018 -9.358 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.385 23.905 -11.910 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.887 25.776 -11.991 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.700 26.861 -11.294 1.00 0.00 H new ATOM 788 N PRO A 56 -15.055 24.351 -12.704 1.00 0.00 N ATOM 789 CA PRO A 56 -13.637 24.421 -13.067 1.00 0.00 C ATOM 790 C PRO A 56 -13.236 25.802 -13.574 1.00 0.00 C ATOM 791 O PRO A 56 -14.013 26.476 -14.251 1.00 0.00 O ATOM 792 CB PRO A 56 -13.504 23.383 -14.184 1.00 0.00 C ATOM 793 CG PRO A 56 -14.868 23.285 -14.774 1.00 0.00 C ATOM 794 CD PRO A 56 -15.828 23.517 -13.640 1.00 0.00 C ATOM 0 HA PRO A 56 -12.988 24.232 -12.212 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.772 23.695 -14.929 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.172 22.421 -13.793 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.007 24.027 -15.561 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -15.028 22.306 -15.227 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.733 24.023 -13.977 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -16.140 22.580 -13.179 1.00 0.00 H new ATOM 802 N PHE A 57 -12.018 26.219 -13.242 1.00 0.00 N ATOM 803 CA PHE A 57 -11.514 27.521 -13.663 1.00 0.00 C ATOM 804 C PHE A 57 -10.978 27.460 -15.091 1.00 0.00 C ATOM 805 O PHE A 57 -9.870 26.983 -15.329 1.00 0.00 O ATOM 806 CB PHE A 57 -10.414 27.997 -12.713 1.00 0.00 C ATOM 807 CG PHE A 57 -9.788 29.299 -13.125 1.00 0.00 C ATOM 808 CD1 PHE A 57 -10.578 30.390 -13.452 1.00 0.00 C ATOM 809 CD2 PHE A 57 -8.410 29.433 -13.186 1.00 0.00 C ATOM 810 CE1 PHE A 57 -10.005 31.589 -13.833 1.00 0.00 C ATOM 811 CE2 PHE A 57 -7.832 30.629 -13.565 1.00 0.00 C ATOM 812 CZ PHE A 57 -8.630 31.709 -13.888 1.00 0.00 C ATOM 0 H PHE A 57 -11.362 25.674 -12.683 1.00 0.00 H new ATOM 0 HA PHE A 57 -12.341 28.230 -13.634 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -10.831 28.104 -11.712 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.639 27.233 -12.655 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.654 30.302 -13.409 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.781 28.592 -12.934 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.632 32.431 -14.087 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.757 30.720 -13.609 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.180 32.645 -14.183 1.00 0.00 H new ATOM 822 N ALA A 58 -11.775 27.948 -16.037 1.00 0.00 N ATOM 823 CA ALA A 58 -11.381 27.951 -17.440 1.00 0.00 C ATOM 824 C ALA A 58 -10.758 29.287 -17.832 1.00 0.00 C ATOM 825 O ALA A 58 -11.444 30.307 -17.899 1.00 0.00 O ATOM 826 CB ALA A 58 -12.580 27.645 -18.325 1.00 0.00 C ATOM 0 H ALA A 58 -12.697 28.346 -15.857 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.630 27.174 -17.583 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.271 27.650 -19.370 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.980 26.664 -18.070 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.349 28.401 -18.170 1.00 0.00 H new ATOM 832 N PHE A 59 -9.455 29.273 -18.091 1.00 0.00 N ATOM 833 CA PHE A 59 -8.739 30.484 -18.475 1.00 0.00 C ATOM 834 C PHE A 59 -7.788 30.209 -19.636 1.00 0.00 C ATOM 835 O PHE A 59 -7.298 29.091 -19.800 1.00 0.00 O ATOM 836 CB PHE A 59 -7.959 31.041 -17.283 1.00 0.00 C ATOM 837 CG PHE A 59 -6.742 30.234 -16.933 1.00 0.00 C ATOM 838 CD1 PHE A 59 -6.867 28.991 -16.335 1.00 0.00 C ATOM 839 CD2 PHE A 59 -5.472 30.719 -17.202 1.00 0.00 C ATOM 840 CE1 PHE A 59 -5.749 28.245 -16.012 1.00 0.00 C ATOM 841 CE2 PHE A 59 -4.350 29.978 -16.882 1.00 0.00 C ATOM 842 CZ PHE A 59 -4.489 28.740 -16.285 1.00 0.00 C ATOM 0 H PHE A 59 -8.873 28.437 -18.042 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.473 31.223 -18.797 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.655 32.064 -17.504 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.618 31.084 -16.416 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.850 28.600 -16.118 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.358 31.687 -17.667 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.861 27.277 -15.547 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.366 30.366 -17.098 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.614 28.160 -16.032 1.00 0.00 H new ATOM 852 N VAL A 60 -7.532 31.236 -20.440 1.00 0.00 N ATOM 853 CA VAL A 60 -6.639 31.106 -21.585 1.00 0.00 C ATOM 854 C VAL A 60 -5.182 31.041 -21.142 1.00 0.00 C ATOM 855 O VAL A 60 -4.665 31.978 -20.531 1.00 0.00 O ATOM 856 CB VAL A 60 -6.814 32.278 -22.569 1.00 0.00 C ATOM 857 CG1 VAL A 60 -5.899 32.106 -23.772 1.00 0.00 C ATOM 858 CG2 VAL A 60 -8.266 32.395 -23.005 1.00 0.00 C ATOM 0 H VAL A 60 -7.930 32.167 -20.319 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.904 30.176 -22.088 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.536 33.201 -22.061 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.036 32.943 -24.456 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.862 32.076 -23.439 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.142 31.175 -24.284 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.371 33.228 -23.700 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.574 31.472 -23.496 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.895 32.569 -22.132 1.00 0.00 H new ATOM 868 N LEU A 61 -4.523 29.931 -21.454 1.00 0.00 N ATOM 869 CA LEU A 61 -3.123 29.744 -21.088 1.00 0.00 C ATOM 870 C LEU A 61 -2.219 30.655 -21.912 1.00 0.00 C ATOM 871 O LEU A 61 -2.312 30.696 -23.138 1.00 0.00 O ATOM 872 CB LEU A 61 -2.714 28.284 -21.289 1.00 0.00 C ATOM 873 CG LEU A 61 -1.211 28.013 -21.370 1.00 0.00 C ATOM 874 CD1 LEU A 61 -0.489 28.656 -20.196 1.00 0.00 C ATOM 875 CD2 LEU A 61 -0.941 26.516 -21.410 1.00 0.00 C ATOM 0 H LEU A 61 -4.935 29.147 -21.959 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.010 30.005 -20.036 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.125 27.696 -20.468 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.178 27.920 -22.206 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.830 28.455 -22.290 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.579 28.453 -20.270 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.655 29.733 -20.212 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.873 28.244 -19.263 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.133 26.341 -21.468 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.336 26.051 -20.507 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.426 26.082 -22.284 1.00 0.00 H new ATOM 925 N VAL A 66 -3.272 35.615 -14.670 1.00 0.00 N ATOM 926 CA VAL A 66 -2.618 34.605 -13.847 1.00 0.00 C ATOM 927 C VAL A 66 -1.229 35.061 -13.417 1.00 0.00 C ATOM 928 O VAL A 66 -0.786 36.154 -13.772 1.00 0.00 O ATOM 929 CB VAL A 66 -2.498 33.264 -14.595 1.00 0.00 C ATOM 930 CG1 VAL A 66 -3.859 32.807 -15.095 1.00 0.00 C ATOM 931 CG2 VAL A 66 -1.510 33.383 -15.745 1.00 0.00 C ATOM 0 HA VAL A 66 -3.240 34.465 -12.963 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.123 32.513 -13.900 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.754 31.858 -15.621 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.534 32.680 -14.248 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.267 33.555 -15.775 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.437 32.427 -16.263 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.853 34.148 -16.442 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.530 33.660 -15.356 1.00 0.00 H new ATOM 941 N ILE A 67 -0.545 34.218 -12.651 1.00 0.00 N ATOM 942 CA ILE A 67 0.795 34.534 -12.174 1.00 0.00 C ATOM 943 C ILE A 67 1.846 33.695 -12.893 1.00 0.00 C ATOM 944 O ILE A 67 1.524 32.708 -13.554 1.00 0.00 O ATOM 945 CB ILE A 67 0.921 34.304 -10.656 1.00 0.00 C ATOM 946 CG1 ILE A 67 1.011 32.808 -10.350 1.00 0.00 C ATOM 947 CG2 ILE A 67 -0.258 34.930 -9.927 1.00 0.00 C ATOM 948 CD1 ILE A 67 1.053 32.495 -8.871 1.00 0.00 C ATOM 0 H ILE A 67 -0.897 33.310 -12.347 1.00 0.00 H new ATOM 0 HA ILE A 67 0.966 35.589 -12.389 1.00 0.00 H new ATOM 0 HB ILE A 67 1.836 34.782 -10.305 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.155 32.302 -10.796 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.904 32.401 -10.825 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.155 34.759 -8.855 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.280 36.002 -10.123 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.185 34.478 -10.279 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.117 31.416 -8.729 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.925 32.972 -8.423 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.148 32.871 -8.394 1.00 0.00 H new ATOM 960 N LYS A 68 3.107 34.092 -12.757 1.00 0.00 N ATOM 961 CA LYS A 68 4.208 33.376 -13.390 1.00 0.00 C ATOM 962 C LYS A 68 4.109 31.878 -13.122 1.00 0.00 C ATOM 963 O LYS A 68 4.090 31.072 -14.051 1.00 0.00 O ATOM 964 CB LYS A 68 5.549 33.908 -12.880 1.00 0.00 C ATOM 965 CG LYS A 68 5.878 35.306 -13.377 1.00 0.00 C ATOM 966 CD LYS A 68 6.042 36.283 -12.224 1.00 0.00 C ATOM 967 CE LYS A 68 6.542 37.635 -12.707 1.00 0.00 C ATOM 968 NZ LYS A 68 7.823 38.019 -12.051 1.00 0.00 N ATOM 0 H LYS A 68 3.392 34.907 -12.213 1.00 0.00 H new ATOM 0 HA LYS A 68 4.144 33.540 -14.466 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.538 33.912 -11.790 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.342 33.226 -13.188 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.796 35.278 -13.965 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.086 35.654 -14.040 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.087 36.408 -11.713 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.742 35.874 -11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.682 37.606 -13.788 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.788 38.395 -12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.131 38.946 -12.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.684 38.072 -11.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.550 37.307 -12.266 1.00 0.00 H new ATOM 982 N GLY A 69 4.043 31.513 -11.845 1.00 0.00 N ATOM 983 CA GLY A 69 3.945 30.112 -11.478 1.00 0.00 C ATOM 984 C GLY A 69 2.773 29.419 -12.146 1.00 0.00 C ATOM 985 O GLY A 69 2.806 28.209 -12.371 1.00 0.00 O ATOM 0 H GLY A 69 4.056 32.162 -11.058 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.869 29.602 -11.752 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.844 30.029 -10.396 1.00 0.00 H new ATOM 989 N TRP A 70 1.736 30.186 -12.460 1.00 0.00 N ATOM 990 CA TRP A 70 0.547 29.637 -13.104 1.00 0.00 C ATOM 991 C TRP A 70 0.838 29.260 -14.552 1.00 0.00 C ATOM 992 O TRP A 70 0.685 28.103 -14.944 1.00 0.00 O ATOM 993 CB TRP A 70 -0.600 30.647 -13.048 1.00 0.00 C ATOM 994 CG TRP A 70 -1.792 30.151 -12.286 1.00 0.00 C ATOM 995 CD1 TRP A 70 -3.016 29.829 -12.798 1.00 0.00 C ATOM 996 CD2 TRP A 70 -1.872 29.921 -10.875 1.00 0.00 C ATOM 997 NE1 TRP A 70 -3.853 29.413 -11.791 1.00 0.00 N ATOM 998 CE2 TRP A 70 -3.175 29.460 -10.602 1.00 0.00 C ATOM 999 CE3 TRP A 70 -0.970 30.058 -9.817 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -3.594 29.138 -9.314 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -1.388 29.738 -8.539 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -2.691 29.281 -8.297 1.00 0.00 C ATOM 0 H TRP A 70 1.693 31.189 -12.280 1.00 0.00 H new ATOM 0 HA TRP A 70 0.255 28.736 -12.565 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.241 31.568 -12.588 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -0.905 30.896 -14.064 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.287 29.892 -13.842 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.822 29.117 -11.910 1.00 0.00 H new ATOM 0 HE3 TRP A 70 0.036 30.408 -9.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -4.598 28.787 -9.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.700 29.842 -7.713 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.988 29.037 -7.288 1.00 0.00 H new ATOM 1013 N ASP A 71 1.258 30.241 -15.342 1.00 0.00 N ATOM 1014 CA ASP A 71 1.572 30.011 -16.748 1.00 0.00 C ATOM 1015 C ASP A 71 2.581 28.877 -16.900 1.00 0.00 C ATOM 1016 O ASP A 71 2.402 27.982 -17.725 1.00 0.00 O ATOM 1017 CB ASP A 71 2.120 31.288 -17.386 1.00 0.00 C ATOM 1018 CG ASP A 71 2.710 31.041 -18.761 1.00 0.00 C ATOM 1019 OD1 ASP A 71 2.097 30.284 -19.543 1.00 0.00 O ATOM 1020 OD2 ASP A 71 3.785 31.604 -19.055 1.00 0.00 O ATOM 0 H ASP A 71 1.389 31.204 -15.033 1.00 0.00 H new ATOM 0 HA ASP A 71 0.652 29.726 -17.259 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.320 32.024 -17.464 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.884 31.716 -16.737 1.00 0.00 H new ATOM 1025 N GLU A 72 3.641 28.924 -16.100 1.00 0.00 N ATOM 1026 CA GLU A 72 4.680 27.901 -16.148 1.00 0.00 C ATOM 1027 C GLU A 72 4.129 26.545 -15.715 1.00 0.00 C ATOM 1028 O GLU A 72 4.444 25.516 -16.310 1.00 0.00 O ATOM 1029 CB GLU A 72 5.857 28.295 -15.253 1.00 0.00 C ATOM 1030 CG GLU A 72 7.156 27.594 -15.613 1.00 0.00 C ATOM 1031 CD GLU A 72 7.920 28.309 -16.710 1.00 0.00 C ATOM 1032 OE1 GLU A 72 7.404 28.377 -17.845 1.00 0.00 O ATOM 1033 OE2 GLU A 72 9.035 28.801 -16.434 1.00 0.00 O ATOM 0 H GLU A 72 3.803 29.659 -15.411 1.00 0.00 H new ATOM 0 HA GLU A 72 5.027 27.821 -17.178 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.006 29.373 -15.316 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.607 28.068 -14.217 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.784 27.523 -14.725 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.938 26.575 -15.932 1.00 0.00 H new ATOM 1040 N GLY A 73 3.303 26.554 -14.673 1.00 0.00 N ATOM 1041 CA GLY A 73 2.722 25.320 -14.177 1.00 0.00 C ATOM 1042 C GLY A 73 1.917 24.592 -15.235 1.00 0.00 C ATOM 1043 O GLY A 73 2.224 23.453 -15.585 1.00 0.00 O ATOM 0 H GLY A 73 3.026 27.393 -14.164 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.517 24.667 -13.816 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.080 25.541 -13.325 1.00 0.00 H new ATOM 1047 N VAL A 74 0.881 25.251 -15.746 1.00 0.00 N ATOM 1048 CA VAL A 74 0.029 24.659 -16.770 1.00 0.00 C ATOM 1049 C VAL A 74 0.794 24.457 -18.073 1.00 0.00 C ATOM 1050 O VAL A 74 0.458 23.584 -18.873 1.00 0.00 O ATOM 1051 CB VAL A 74 -1.209 25.534 -17.045 1.00 0.00 C ATOM 1052 CG1 VAL A 74 -2.182 25.463 -15.879 1.00 0.00 C ATOM 1053 CG2 VAL A 74 -0.794 26.972 -17.318 1.00 0.00 C ATOM 0 H VAL A 74 0.612 26.195 -15.467 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.296 23.691 -16.389 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.714 25.151 -17.932 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.050 26.087 -16.091 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.503 24.431 -15.735 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.691 25.820 -14.973 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.681 27.576 -17.510 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.265 27.369 -16.451 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.138 27.003 -18.188 1.00 0.00 H new ATOM 1063 N GLN A 75 1.826 25.269 -18.279 1.00 0.00 N ATOM 1064 CA GLN A 75 2.640 25.179 -19.485 1.00 0.00 C ATOM 1065 C GLN A 75 3.098 23.745 -19.727 1.00 0.00 C ATOM 1066 O GLN A 75 3.293 23.329 -20.868 1.00 0.00 O ATOM 1067 CB GLN A 75 3.854 26.103 -19.377 1.00 0.00 C ATOM 1068 CG GLN A 75 3.766 27.330 -20.271 1.00 0.00 C ATOM 1069 CD GLN A 75 5.015 28.186 -20.212 1.00 0.00 C ATOM 1070 OE1 GLN A 75 5.932 28.024 -21.018 1.00 0.00 O ATOM 1071 NE2 GLN A 75 5.059 29.105 -19.254 1.00 0.00 N ATOM 0 H GLN A 75 2.118 25.996 -17.626 1.00 0.00 H new ATOM 0 HA GLN A 75 2.027 25.493 -20.330 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.964 26.425 -18.342 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.752 25.541 -19.633 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.595 27.014 -21.300 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.905 27.929 -19.975 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.277 29.205 -18.607 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.875 29.710 -19.165 1.00 0.00 H new ATOM 1080 N GLY A 76 3.269 22.992 -18.644 1.00 0.00 N ATOM 1081 CA GLY A 76 3.703 21.612 -18.760 1.00 0.00 C ATOM 1082 C GLY A 76 2.683 20.635 -18.212 1.00 0.00 C ATOM 1083 O GLY A 76 2.639 19.477 -18.624 1.00 0.00 O ATOM 0 H GLY A 76 3.115 23.313 -17.688 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.895 21.382 -19.808 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.646 21.485 -18.228 1.00 0.00 H new ATOM 1087 N MET A 77 1.861 21.102 -17.278 1.00 0.00 N ATOM 1088 CA MET A 77 0.836 20.260 -16.672 1.00 0.00 C ATOM 1089 C MET A 77 -0.010 19.578 -17.742 1.00 0.00 C ATOM 1090 O MET A 77 -0.294 20.161 -18.789 1.00 0.00 O ATOM 1091 CB MET A 77 -0.059 21.092 -15.751 1.00 0.00 C ATOM 1092 CG MET A 77 -0.329 20.432 -14.408 1.00 0.00 C ATOM 1093 SD MET A 77 -0.527 21.628 -13.074 1.00 0.00 S ATOM 1094 CE MET A 77 -0.342 20.570 -11.640 1.00 0.00 C ATOM 0 H MET A 77 1.885 22.058 -16.924 1.00 0.00 H new ATOM 0 HA MET A 77 1.335 19.490 -16.083 1.00 0.00 H new ATOM 0 HB2 MET A 77 0.409 22.062 -15.582 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.009 21.279 -16.252 1.00 0.00 H new ATOM 0 HG2 MET A 77 -1.230 19.823 -14.481 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.493 19.758 -14.167 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.262 21.184 -10.743 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.210 19.916 -11.556 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.559 19.965 -11.748 1.00 0.00 H new ATOM 1104 N LYS A 78 -0.411 18.340 -17.473 1.00 0.00 N ATOM 1105 CA LYS A 78 -1.226 17.578 -18.412 1.00 0.00 C ATOM 1106 C LYS A 78 -2.644 17.396 -17.880 1.00 0.00 C ATOM 1107 O LYS A 78 -2.888 17.522 -16.679 1.00 0.00 O ATOM 1108 CB LYS A 78 -0.591 16.212 -18.679 1.00 0.00 C ATOM 1109 CG LYS A 78 0.747 16.292 -19.393 1.00 0.00 C ATOM 1110 CD LYS A 78 1.690 15.192 -18.937 1.00 0.00 C ATOM 1111 CE LYS A 78 2.590 15.663 -17.804 1.00 0.00 C ATOM 1112 NZ LYS A 78 3.813 14.823 -17.681 1.00 0.00 N ATOM 0 H LYS A 78 -0.185 17.843 -16.612 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.277 18.137 -19.346 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.457 15.692 -17.731 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.277 15.612 -19.277 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.591 16.216 -20.469 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.203 17.264 -19.205 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.112 14.328 -18.609 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.302 14.865 -19.777 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.878 16.700 -17.976 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.036 15.637 -16.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.400 15.176 -16.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.540 13.838 -17.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.355 14.867 -18.567 1.00 0.00 H new ATOM 1126 N VAL A 79 -3.576 17.098 -18.779 1.00 0.00 N ATOM 1127 CA VAL A 79 -4.969 16.896 -18.399 1.00 0.00 C ATOM 1128 C VAL A 79 -5.091 15.852 -17.295 1.00 0.00 C ATOM 1129 O VAL A 79 -4.624 14.724 -17.438 1.00 0.00 O ATOM 1130 CB VAL A 79 -5.821 16.455 -19.604 1.00 0.00 C ATOM 1131 CG1 VAL A 79 -7.292 16.391 -19.223 1.00 0.00 C ATOM 1132 CG2 VAL A 79 -5.607 17.396 -20.780 1.00 0.00 C ATOM 0 H VAL A 79 -3.392 16.991 -19.776 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.340 17.853 -18.033 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.505 15.456 -19.905 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.878 16.078 -20.087 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.427 15.674 -18.413 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.626 17.375 -18.895 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.216 17.070 -21.623 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.895 18.407 -20.494 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.556 17.386 -21.067 1.00 0.00 H new ATOM 1142 N GLY A 80 -5.724 16.238 -16.191 1.00 0.00 N ATOM 1143 CA GLY A 80 -5.897 15.324 -15.077 1.00 0.00 C ATOM 1144 C GLY A 80 -4.690 15.291 -14.161 1.00 0.00 C ATOM 1145 O GLY A 80 -4.674 14.562 -13.170 1.00 0.00 O ATOM 0 H GLY A 80 -6.120 17.167 -16.048 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.776 15.617 -14.504 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.086 14.321 -15.460 1.00 0.00 H new ATOM 1149 N GLY A 81 -3.675 16.083 -14.493 1.00 0.00 N ATOM 1150 CA GLY A 81 -2.471 16.125 -13.684 1.00 0.00 C ATOM 1151 C GLY A 81 -2.645 16.958 -12.429 1.00 0.00 C ATOM 1152 O GLY A 81 -3.029 18.126 -12.498 1.00 0.00 O ATOM 0 H GLY A 81 -3.665 16.696 -15.308 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.188 15.110 -13.406 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.653 16.533 -14.277 1.00 0.00 H new ATOM 1156 N VAL A 82 -2.364 16.356 -11.277 1.00 0.00 N ATOM 1157 CA VAL A 82 -2.492 17.050 -10.001 1.00 0.00 C ATOM 1158 C VAL A 82 -1.135 17.210 -9.324 1.00 0.00 C ATOM 1159 O VAL A 82 -0.461 16.225 -9.022 1.00 0.00 O ATOM 1160 CB VAL A 82 -3.444 16.302 -9.049 1.00 0.00 C ATOM 1161 CG1 VAL A 82 -3.700 17.124 -7.795 1.00 0.00 C ATOM 1162 CG2 VAL A 82 -4.750 15.969 -9.755 1.00 0.00 C ATOM 0 H VAL A 82 -2.046 15.390 -11.202 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.906 18.035 -10.216 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.971 15.367 -8.750 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.375 16.579 -7.134 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.757 17.306 -7.280 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.152 18.077 -8.070 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.411 15.441 -9.068 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.231 16.890 -10.084 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.546 15.337 -10.619 1.00 0.00 H new ATOM 1172 N ARG A 83 -0.741 18.457 -9.088 1.00 0.00 N ATOM 1173 CA ARG A 83 0.536 18.746 -8.447 1.00 0.00 C ATOM 1174 C ARG A 83 0.437 19.996 -7.577 1.00 0.00 C ATOM 1175 O ARG A 83 -0.235 20.963 -7.937 1.00 0.00 O ATOM 1176 CB ARG A 83 1.629 18.930 -9.500 1.00 0.00 C ATOM 1177 CG ARG A 83 1.599 17.882 -10.600 1.00 0.00 C ATOM 1178 CD ARG A 83 2.839 17.958 -11.477 1.00 0.00 C ATOM 1179 NE ARG A 83 3.268 16.639 -11.934 1.00 0.00 N ATOM 1180 CZ ARG A 83 4.348 16.435 -12.680 1.00 0.00 C ATOM 1181 NH1 ARG A 83 5.105 17.459 -13.051 1.00 0.00 N ATOM 1182 NH2 ARG A 83 4.674 15.205 -13.056 1.00 0.00 N ATOM 0 H ARG A 83 -1.288 19.283 -9.331 1.00 0.00 H new ATOM 0 HA ARG A 83 0.794 17.900 -7.810 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.527 19.918 -9.949 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.602 18.902 -9.010 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.527 16.889 -10.156 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.709 18.023 -11.214 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.634 18.592 -12.340 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.649 18.430 -10.920 1.00 0.00 H new ATOM 0 HE ARG A 83 2.708 15.830 -11.666 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.858 18.406 -12.763 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.934 17.299 -13.624 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.095 14.415 -12.772 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.504 15.050 -13.629 1.00 0.00 H new ATOM 1196 N ARG A 84 1.109 19.968 -6.431 1.00 0.00 N ATOM 1197 CA ARG A 84 1.095 21.097 -5.509 1.00 0.00 C ATOM 1198 C ARG A 84 2.167 22.118 -5.883 1.00 0.00 C ATOM 1199 O ARG A 84 3.353 21.911 -5.625 1.00 0.00 O ATOM 1200 CB ARG A 84 1.315 20.615 -4.074 1.00 0.00 C ATOM 1201 CG ARG A 84 0.597 21.456 -3.032 1.00 0.00 C ATOM 1202 CD ARG A 84 1.060 21.114 -1.625 1.00 0.00 C ATOM 1203 NE ARG A 84 -0.046 21.107 -0.671 1.00 0.00 N ATOM 1204 CZ ARG A 84 -0.886 20.088 -0.527 1.00 0.00 C ATOM 1205 NH1 ARG A 84 -0.745 18.999 -1.270 1.00 0.00 N ATOM 1206 NH2 ARG A 84 -1.868 20.157 0.363 1.00 0.00 N ATOM 0 H ARG A 84 1.670 19.176 -6.119 1.00 0.00 H new ATOM 0 HA ARG A 84 0.119 21.577 -5.578 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.977 19.582 -3.991 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.383 20.619 -3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.777 22.513 -3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.478 21.296 -3.111 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.541 20.136 -1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.810 21.837 -1.305 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.181 21.930 -0.083 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.010 18.942 -1.954 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.391 18.218 -1.158 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.978 20.993 0.937 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.513 19.374 0.473 1.00 0.00 H new ATOM 1220 N LEU A 85 1.741 23.218 -6.493 1.00 0.00 N ATOM 1221 CA LEU A 85 2.663 24.271 -6.904 1.00 0.00 C ATOM 1222 C LEU A 85 2.901 25.260 -5.767 1.00 0.00 C ATOM 1223 O LEU A 85 1.969 25.902 -5.282 1.00 0.00 O ATOM 1224 CB LEU A 85 2.116 25.006 -8.129 1.00 0.00 C ATOM 1225 CG LEU A 85 3.036 26.060 -8.745 1.00 0.00 C ATOM 1226 CD1 LEU A 85 3.783 25.485 -9.938 1.00 0.00 C ATOM 1227 CD2 LEU A 85 2.239 27.290 -9.156 1.00 0.00 C ATOM 0 H LEU A 85 0.763 23.404 -6.714 1.00 0.00 H new ATOM 0 HA LEU A 85 3.615 23.807 -7.162 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.879 24.268 -8.895 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.179 25.489 -7.850 1.00 0.00 H new ATOM 0 HG LEU A 85 3.767 26.359 -7.994 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.433 26.250 -10.363 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.385 24.636 -9.615 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.067 25.157 -10.692 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.910 28.029 -9.592 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.485 27.006 -9.890 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.750 27.716 -8.280 1.00 0.00 H new ATOM 1239 N THR A 86 4.157 25.380 -5.348 1.00 0.00 N ATOM 1240 CA THR A 86 4.519 26.291 -4.269 1.00 0.00 C ATOM 1241 C THR A 86 5.066 27.603 -4.818 1.00 0.00 C ATOM 1242 O THR A 86 6.098 27.623 -5.490 1.00 0.00 O ATOM 1243 CB THR A 86 5.567 25.663 -3.331 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.423 24.238 -3.319 1.00 0.00 O ATOM 1245 CG2 THR A 86 5.420 26.204 -1.917 1.00 0.00 C ATOM 0 H THR A 86 4.941 24.858 -5.740 1.00 0.00 H new ATOM 0 HA THR A 86 3.608 26.489 -3.703 1.00 0.00 H new ATOM 0 HB THR A 86 6.558 25.924 -3.702 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.094 23.846 -2.722 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.170 25.746 -1.272 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.559 27.285 -1.925 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.425 25.969 -1.539 1.00 0.00 H new ATOM 1253 N ILE A 87 4.369 28.697 -4.528 1.00 0.00 N ATOM 1254 CA ILE A 87 4.788 30.014 -4.992 1.00 0.00 C ATOM 1255 C ILE A 87 5.189 30.907 -3.823 1.00 0.00 C ATOM 1256 O ILE A 87 4.476 31.023 -2.826 1.00 0.00 O ATOM 1257 CB ILE A 87 3.672 30.708 -5.795 1.00 0.00 C ATOM 1258 CG1 ILE A 87 3.132 29.770 -6.876 1.00 0.00 C ATOM 1259 CG2 ILE A 87 4.190 31.997 -6.416 1.00 0.00 C ATOM 1260 CD1 ILE A 87 1.992 28.896 -6.402 1.00 0.00 C ATOM 0 H ILE A 87 3.512 28.697 -3.974 1.00 0.00 H new ATOM 0 HA ILE A 87 5.650 29.861 -5.641 1.00 0.00 H new ATOM 0 HB ILE A 87 2.857 30.956 -5.116 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.795 30.364 -7.726 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.943 29.134 -7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.390 32.476 -6.980 1.00 0.00 H new ATOM 0 HG22 ILE A 87 4.531 32.669 -5.628 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.020 31.771 -7.085 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.659 28.257 -7.220 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.330 28.276 -5.572 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.164 29.524 -6.073 1.00 0.00 H new ATOM 1272 N PRO A 88 6.356 31.555 -3.947 1.00 0.00 N ATOM 1273 CA PRO A 88 6.878 32.452 -2.911 1.00 0.00 C ATOM 1274 C PRO A 88 6.065 33.736 -2.793 1.00 0.00 C ATOM 1275 O PRO A 88 5.196 34.027 -3.616 1.00 0.00 O ATOM 1276 CB PRO A 88 8.298 32.760 -3.390 1.00 0.00 C ATOM 1277 CG PRO A 88 8.250 32.567 -4.866 1.00 0.00 C ATOM 1278 CD PRO A 88 7.257 31.463 -5.108 1.00 0.00 C ATOM 0 HA PRO A 88 6.837 31.998 -1.921 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.590 33.778 -3.133 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.025 32.093 -2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 88 7.944 33.484 -5.370 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.232 32.301 -5.257 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.720 31.604 -6.046 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.744 30.489 -5.163 1.00 0.00 H new ATOM 1286 N PRO A 89 6.351 34.525 -1.747 1.00 0.00 N ATOM 1287 CA PRO A 89 5.658 35.793 -1.498 1.00 0.00 C ATOM 1288 C PRO A 89 6.016 36.861 -2.526 1.00 0.00 C ATOM 1289 O PRO A 89 5.443 37.950 -2.527 1.00 0.00 O ATOM 1290 CB PRO A 89 6.154 36.201 -0.108 1.00 0.00 C ATOM 1291 CG PRO A 89 7.479 35.535 0.032 1.00 0.00 C ATOM 1292 CD PRO A 89 7.374 34.241 -0.726 1.00 0.00 C ATOM 0 HA PRO A 89 4.575 35.686 -1.565 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.244 37.284 -0.022 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.463 35.876 0.670 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.275 36.161 -0.372 1.00 0.00 H new ATOM 0 HG3 PRO A 89 7.716 35.355 1.080 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.326 33.962 -1.178 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.076 33.418 -0.077 1.00 0.00 H new ATOM 1300 N GLN A 90 6.965 36.540 -3.399 1.00 0.00 N ATOM 1301 CA GLN A 90 7.398 37.474 -4.432 1.00 0.00 C ATOM 1302 C GLN A 90 6.670 37.209 -5.745 1.00 0.00 C ATOM 1303 O GLN A 90 6.166 38.133 -6.386 1.00 0.00 O ATOM 1304 CB GLN A 90 8.910 37.368 -4.643 1.00 0.00 C ATOM 1305 CG GLN A 90 9.508 38.563 -5.369 1.00 0.00 C ATOM 1306 CD GLN A 90 10.956 38.808 -4.995 1.00 0.00 C ATOM 1307 OE1 GLN A 90 11.330 39.914 -4.604 1.00 0.00 O ATOM 1308 NE2 GLN A 90 11.781 37.774 -5.114 1.00 0.00 N ATOM 0 H GLN A 90 7.448 35.642 -3.412 1.00 0.00 H new ATOM 0 HA GLN A 90 7.154 38.483 -4.100 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.397 37.261 -3.674 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.127 36.463 -5.210 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.437 38.403 -6.445 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.922 39.453 -5.140 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.428 36.875 -5.442 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.768 37.879 -4.877 1.00 0.00 H new ATOM 1317 N LEU A 91 6.618 35.942 -6.142 1.00 0.00 N ATOM 1318 CA LEU A 91 5.951 35.555 -7.380 1.00 0.00 C ATOM 1319 C LEU A 91 4.499 35.166 -7.118 1.00 0.00 C ATOM 1320 O LEU A 91 3.866 34.501 -7.938 1.00 0.00 O ATOM 1321 CB LEU A 91 6.692 34.390 -8.039 1.00 0.00 C ATOM 1322 CG LEU A 91 8.219 34.470 -8.022 1.00 0.00 C ATOM 1323 CD1 LEU A 91 8.821 33.347 -8.852 1.00 0.00 C ATOM 1324 CD2 LEU A 91 8.687 35.824 -8.535 1.00 0.00 C ATOM 0 H LEU A 91 7.030 35.165 -5.624 1.00 0.00 H new ATOM 0 HA LEU A 91 5.962 36.412 -8.053 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.391 33.467 -7.543 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.364 34.317 -9.076 1.00 0.00 H new ATOM 0 HG LEU A 91 8.559 34.356 -6.993 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.908 33.420 -8.828 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.513 32.386 -8.441 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.474 33.430 -9.882 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.776 35.864 -8.516 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.336 35.967 -9.557 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.284 36.613 -7.900 1.00 0.00 H new ATOM 1336 N GLY A 92 3.977 35.586 -5.970 1.00 0.00 N ATOM 1337 CA GLY A 92 2.603 35.274 -5.621 1.00 0.00 C ATOM 1338 C GLY A 92 1.773 36.517 -5.367 1.00 0.00 C ATOM 1339 O GLY A 92 1.424 37.240 -6.300 1.00 0.00 O ATOM 0 H GLY A 92 4.481 36.137 -5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.149 34.696 -6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.591 34.645 -4.731 1.00 0.00 H new ATOM 1513 N ALA A 106 6.537 35.008 3.210 1.00 0.00 N ATOM 1514 CA ALA A 106 5.697 33.846 3.471 1.00 0.00 C ATOM 1515 C ALA A 106 5.470 33.036 2.199 1.00 0.00 C ATOM 1516 O ALA A 106 5.118 33.585 1.155 1.00 0.00 O ATOM 1517 CB ALA A 106 4.366 34.280 4.067 1.00 0.00 C ATOM 0 HA ALA A 106 6.214 33.209 4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 106 3.749 33.402 4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 106 4.542 34.809 5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 106 3.852 34.940 3.368 1.00 0.00 H new ATOM 1523 N THR A 107 5.674 31.725 2.294 1.00 0.00 N ATOM 1524 CA THR A 107 5.494 30.840 1.150 1.00 0.00 C ATOM 1525 C THR A 107 4.039 30.406 1.016 1.00 0.00 C ATOM 1526 O THR A 107 3.450 29.870 1.956 1.00 0.00 O ATOM 1527 CB THR A 107 6.383 29.587 1.264 1.00 0.00 C ATOM 1528 OG1 THR A 107 7.763 29.966 1.279 1.00 0.00 O ATOM 1529 CG2 THR A 107 6.125 28.634 0.107 1.00 0.00 C ATOM 0 H THR A 107 5.964 31.254 3.151 1.00 0.00 H new ATOM 0 HA THR A 107 5.786 31.404 0.264 1.00 0.00 H new ATOM 0 HB THR A 107 6.137 29.077 2.195 1.00 0.00 H new ATOM 0 HG1 THR A 107 8.322 29.164 1.353 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.764 27.757 0.209 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.080 28.325 0.116 1.00 0.00 H new ATOM 0 HG23 THR A 107 6.346 29.137 -0.835 1.00 0.00 H new ATOM 1537 N LEU A 108 3.463 30.638 -0.159 1.00 0.00 N ATOM 1538 CA LEU A 108 2.075 30.270 -0.418 1.00 0.00 C ATOM 1539 C LEU A 108 1.993 28.927 -1.136 1.00 0.00 C ATOM 1540 O LEU A 108 2.653 28.714 -2.154 1.00 0.00 O ATOM 1541 CB LEU A 108 1.387 31.351 -1.252 1.00 0.00 C ATOM 1542 CG LEU A 108 0.882 32.573 -0.484 1.00 0.00 C ATOM 1543 CD1 LEU A 108 -0.128 32.157 0.575 1.00 0.00 C ATOM 1544 CD2 LEU A 108 2.044 33.322 0.151 1.00 0.00 C ATOM 0 H LEU A 108 3.936 31.079 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 108 1.564 30.180 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.085 31.691 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.542 30.898 -1.771 1.00 0.00 H new ATOM 0 HG LEU A 108 0.386 33.241 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.477 33.039 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.975 31.665 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.343 31.468 1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.666 34.188 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.568 32.662 0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.732 33.653 -0.627 1.00 0.00 H new ATOM 1556 N VAL A 109 1.177 28.024 -0.601 1.00 0.00 N ATOM 1557 CA VAL A 109 1.006 26.703 -1.193 1.00 0.00 C ATOM 1558 C VAL A 109 -0.270 26.635 -2.025 1.00 0.00 C ATOM 1559 O VAL A 109 -1.377 26.698 -1.490 1.00 0.00 O ATOM 1560 CB VAL A 109 0.961 25.606 -0.114 1.00 0.00 C ATOM 1561 CG1 VAL A 109 0.679 24.249 -0.742 1.00 0.00 C ATOM 1562 CG2 VAL A 109 2.263 25.578 0.672 1.00 0.00 C ATOM 0 H VAL A 109 0.624 28.184 0.241 1.00 0.00 H new ATOM 0 HA VAL A 109 1.867 26.532 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 109 0.150 25.835 0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.651 23.487 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.282 24.278 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.466 24.009 -1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.213 24.797 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.092 25.374 -0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.417 26.543 1.155 1.00 0.00 H new ATOM 1572 N PHE A 110 -0.108 26.505 -3.338 1.00 0.00 N ATOM 1573 CA PHE A 110 -1.247 26.429 -4.245 1.00 0.00 C ATOM 1574 C PHE A 110 -1.281 25.084 -4.964 1.00 0.00 C ATOM 1575 O PHE A 110 -0.266 24.621 -5.482 1.00 0.00 O ATOM 1576 CB PHE A 110 -1.189 27.566 -5.267 1.00 0.00 C ATOM 1577 CG PHE A 110 -1.647 28.888 -4.721 1.00 0.00 C ATOM 1578 CD1 PHE A 110 -2.992 29.219 -4.709 1.00 0.00 C ATOM 1579 CD2 PHE A 110 -0.731 29.799 -4.219 1.00 0.00 C ATOM 1580 CE1 PHE A 110 -3.415 30.435 -4.207 1.00 0.00 C ATOM 1581 CE2 PHE A 110 -1.149 31.017 -3.716 1.00 0.00 C ATOM 1582 CZ PHE A 110 -2.493 31.335 -3.709 1.00 0.00 C ATOM 0 H PHE A 110 0.801 26.450 -3.797 1.00 0.00 H new ATOM 0 HA PHE A 110 -2.158 26.528 -3.654 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -0.166 27.666 -5.629 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -1.806 27.303 -6.126 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -3.718 28.519 -5.096 1.00 0.00 H new ATOM 0 HD2 PHE A 110 0.321 29.555 -4.221 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.466 30.682 -4.204 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.425 31.719 -3.329 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.822 32.285 -3.315 1.00 0.00 H new ATOM 1592 N GLU A 111 -2.456 24.462 -4.990 1.00 0.00 N ATOM 1593 CA GLU A 111 -2.621 23.169 -5.644 1.00 0.00 C ATOM 1594 C GLU A 111 -3.287 23.331 -7.007 1.00 0.00 C ATOM 1595 O GLU A 111 -4.334 23.967 -7.128 1.00 0.00 O ATOM 1596 CB GLU A 111 -3.452 22.231 -4.766 1.00 0.00 C ATOM 1597 CG GLU A 111 -3.264 20.761 -5.099 1.00 0.00 C ATOM 1598 CD GLU A 111 -4.302 19.875 -4.436 1.00 0.00 C ATOM 1599 OE1 GLU A 111 -5.501 20.219 -4.500 1.00 0.00 O ATOM 1600 OE2 GLU A 111 -3.915 18.840 -3.855 1.00 0.00 O ATOM 0 H GLU A 111 -3.307 24.832 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.632 22.735 -5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.187 22.395 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.506 22.487 -4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.315 20.628 -6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.269 20.446 -4.785 1.00 0.00 H new ATOM 1607 N VAL A 112 -2.671 22.750 -8.032 1.00 0.00 N ATOM 1608 CA VAL A 112 -3.203 22.828 -9.388 1.00 0.00 C ATOM 1609 C VAL A 112 -3.543 21.443 -9.925 1.00 0.00 C ATOM 1610 O VAL A 112 -2.695 20.551 -9.951 1.00 0.00 O ATOM 1611 CB VAL A 112 -2.205 23.507 -10.344 1.00 0.00 C ATOM 1612 CG1 VAL A 112 -2.846 23.746 -11.703 1.00 0.00 C ATOM 1613 CG2 VAL A 112 -1.700 24.812 -9.748 1.00 0.00 C ATOM 0 H VAL A 112 -1.803 22.220 -7.949 1.00 0.00 H new ATOM 0 HA VAL A 112 -4.112 23.428 -9.338 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.352 22.843 -10.482 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.126 24.227 -12.365 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.154 22.793 -12.133 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.718 24.390 -11.586 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -0.996 25.278 -10.437 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -2.541 25.484 -9.579 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -1.201 24.610 -8.800 1.00 0.00 H new ATOM 1623 N GLU A 113 -4.790 21.270 -10.354 1.00 0.00 N ATOM 1624 CA GLU A 113 -5.242 19.991 -10.891 1.00 0.00 C ATOM 1625 C GLU A 113 -5.940 20.182 -12.234 1.00 0.00 C ATOM 1626 O GLU A 113 -7.082 20.639 -12.294 1.00 0.00 O ATOM 1627 CB GLU A 113 -6.189 19.305 -9.905 1.00 0.00 C ATOM 1628 CG GLU A 113 -7.135 20.264 -9.202 1.00 0.00 C ATOM 1629 CD GLU A 113 -6.712 20.561 -7.776 1.00 0.00 C ATOM 1630 OE1 GLU A 113 -5.521 20.361 -7.458 1.00 0.00 O ATOM 1631 OE2 GLU A 113 -7.571 20.992 -6.979 1.00 0.00 O ATOM 0 H GLU A 113 -5.504 21.998 -10.340 1.00 0.00 H new ATOM 0 HA GLU A 113 -4.367 19.359 -11.042 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -6.774 18.556 -10.438 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.599 18.776 -9.157 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -7.185 21.197 -9.764 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -8.139 19.840 -9.198 1.00 0.00 H new ATOM 1638 N LEU A 114 -5.245 19.830 -13.310 1.00 0.00 N ATOM 1639 CA LEU A 114 -5.797 19.962 -14.654 1.00 0.00 C ATOM 1640 C LEU A 114 -7.066 19.130 -14.806 1.00 0.00 C ATOM 1641 O LEU A 114 -7.078 17.935 -14.508 1.00 0.00 O ATOM 1642 CB LEU A 114 -4.763 19.530 -15.696 1.00 0.00 C ATOM 1643 CG LEU A 114 -3.827 20.626 -16.207 1.00 0.00 C ATOM 1644 CD1 LEU A 114 -4.523 21.472 -17.263 1.00 0.00 C ATOM 1645 CD2 LEU A 114 -3.346 21.496 -15.056 1.00 0.00 C ATOM 0 H LEU A 114 -4.299 19.451 -13.278 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.050 21.010 -14.814 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.156 18.732 -15.267 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.292 19.105 -16.549 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.959 20.152 -16.665 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.842 22.247 -17.615 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.817 20.839 -18.100 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.409 21.937 -16.831 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.681 22.270 -15.438 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.203 21.962 -14.569 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.809 20.880 -14.334 1.00 0.00 H new ATOM 1657 N LEU A 115 -8.133 19.768 -15.273 1.00 0.00 N ATOM 1658 CA LEU A 115 -9.408 19.087 -15.468 1.00 0.00 C ATOM 1659 C LEU A 115 -9.655 18.804 -16.946 1.00 0.00 C ATOM 1660 O LEU A 115 -10.201 17.761 -17.306 1.00 0.00 O ATOM 1661 CB LEU A 115 -10.551 19.930 -14.900 1.00 0.00 C ATOM 1662 CG LEU A 115 -10.702 19.920 -13.379 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -11.020 21.315 -12.864 1.00 0.00 C ATOM 1664 CD2 LEU A 115 -11.783 18.935 -12.957 1.00 0.00 C ATOM 0 H LEU A 115 -8.141 20.757 -15.524 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.368 18.136 -14.938 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.411 20.961 -15.224 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -11.486 19.582 -15.340 1.00 0.00 H new ATOM 0 HG LEU A 115 -9.756 19.601 -12.942 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.124 21.288 -11.779 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.212 21.995 -13.134 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.952 21.663 -13.309 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.877 18.941 -11.871 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -12.734 19.224 -13.405 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.514 17.933 -13.292 1.00 0.00 H new ATOM 1676 N ASP A 116 -9.247 19.738 -17.798 1.00 0.00 N ATOM 1677 CA ASP A 116 -9.421 19.588 -19.238 1.00 0.00 C ATOM 1678 C ASP A 116 -8.755 20.737 -19.988 1.00 0.00 C ATOM 1679 O ASP A 116 -8.676 21.858 -19.485 1.00 0.00 O ATOM 1680 CB ASP A 116 -10.908 19.527 -19.590 1.00 0.00 C ATOM 1681 CG ASP A 116 -11.160 18.843 -20.920 1.00 0.00 C ATOM 1682 OD1 ASP A 116 -10.372 17.946 -21.284 1.00 0.00 O ATOM 1683 OD2 ASP A 116 -12.146 19.205 -21.595 1.00 0.00 O ATOM 0 H ASP A 116 -8.793 20.607 -17.516 1.00 0.00 H new ATOM 0 HA ASP A 116 -8.945 18.655 -19.541 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.443 18.995 -18.804 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.313 20.539 -19.622 1.00 0.00 H new ATOM 1688 N VAL A 117 -8.275 20.451 -21.194 1.00 0.00 N ATOM 1689 CA VAL A 117 -7.615 21.460 -22.014 1.00 0.00 C ATOM 1690 C VAL A 117 -8.591 22.555 -22.428 1.00 0.00 C ATOM 1691 O VAL A 117 -9.605 22.253 -23.054 1.00 0.00 O ATOM 1692 CB VAL A 117 -6.992 20.837 -23.278 1.00 0.00 C ATOM 1693 CG1 VAL A 117 -6.319 21.906 -24.125 1.00 0.00 C ATOM 1694 CG2 VAL A 117 -6.004 19.743 -22.901 1.00 0.00 C ATOM 0 H VAL A 117 -8.331 19.528 -21.625 1.00 0.00 H new ATOM 0 HA VAL A 117 -6.823 21.895 -21.405 1.00 0.00 H new ATOM 0 HB VAL A 117 -7.789 20.387 -23.870 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.885 21.447 -25.013 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.057 22.650 -24.425 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.532 22.388 -23.545 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.574 19.314 -23.806 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -5.209 20.166 -22.287 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -6.520 18.964 -22.340 1.00 0.00 H new