USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 885 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 79 SER OG : rot -159:sc= -0.893! USER MOD Set 1.2: A 82 THR OG1 : rot 150:sc=-0.00521 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 172:sc= -0.337 USER MOD Single : A 23 TYR OH : rot 175:sc= -2.04! USER MOD Single : A 24 SER OG : rot 143:sc= 0.915 USER MOD Single : A 27 SER OG : rot -85:sc= 0.645 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.52 X(o=-1.5,f=-1.2) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.166) USER MOD Single : A 51 MET CE :methyl -176:sc= -7.82! (180deg=-8.43!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.65 K(o=-1.6,f=-2.7) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= -0.705 (180deg=-0.789) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -137:sc= -0.65 (180deg=-1.97) USER MOD Single : A 73 THR OG1 : rot -26:sc= 0.0696! USER MOD Single : A 75 LYS NZ :NH3+ -160:sc= 0.398 (180deg=0.251) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -1.36 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 96 THR OG1 : rot 42:sc= 0.0243 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot -150:sc= -2.3! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : A 108 MET CE :methyl 131:sc= -0.757 (180deg=-2.13) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HE2:sc= -2.19! C(o=-2.2!,f=-9.5!) USER MOD Single : B 9 SER OG : rot 130:sc= -0.469 USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N ILE A 14 0.038 -12.618 -4.897 1.00 0.00 N ATOM 223 CA ILE A 14 1.233 -11.701 -4.709 1.00 0.00 C ATOM 224 C ILE A 14 0.787 -10.298 -4.236 1.00 0.00 C ATOM 225 O ILE A 14 1.485 -9.653 -3.477 1.00 0.00 O ATOM 226 CB ILE A 14 1.937 -11.604 -6.081 1.00 0.00 C ATOM 227 CG1 ILE A 14 3.153 -10.665 -5.990 1.00 0.00 C ATOM 228 CG2 ILE A 14 0.964 -11.054 -7.127 1.00 0.00 C ATOM 229 CD1 ILE A 14 4.139 -11.169 -4.930 1.00 0.00 C ATOM 0 HA ILE A 14 1.903 -12.097 -3.946 1.00 0.00 H new ATOM 0 HB ILE A 14 2.268 -12.601 -6.371 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.649 -10.607 -6.959 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.824 -9.657 -5.739 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.466 -10.988 -8.092 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.105 -11.719 -7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.627 -10.062 -6.825 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.993 -10.494 -4.878 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.644 -11.203 -3.960 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.482 -12.168 -5.198 1.00 0.00 H new ATOM 241 N GLU A 15 -0.375 -9.826 -4.661 1.00 0.00 N ATOM 242 CA GLU A 15 -0.844 -8.465 -4.197 1.00 0.00 C ATOM 243 C GLU A 15 -0.811 -8.392 -2.658 1.00 0.00 C ATOM 244 O GLU A 15 -0.525 -7.355 -2.096 1.00 0.00 O ATOM 245 CB GLU A 15 -2.287 -8.283 -4.711 1.00 0.00 C ATOM 246 CG GLU A 15 -2.283 -7.364 -5.937 1.00 0.00 C ATOM 247 CD GLU A 15 -2.315 -8.209 -7.212 1.00 0.00 C ATOM 248 OE1 GLU A 15 -1.708 -9.267 -7.214 1.00 0.00 O ATOM 249 OE2 GLU A 15 -2.945 -7.782 -8.166 1.00 0.00 O ATOM 0 H GLU A 15 -1.007 -10.313 -5.296 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.196 -7.677 -4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.716 -9.251 -4.971 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.912 -7.857 -3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.146 -6.699 -5.908 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.394 -6.734 -5.929 1.00 0.00 H new ATOM 256 N GLY A 16 -1.081 -9.487 -1.972 1.00 0.00 N ATOM 257 CA GLY A 16 -1.034 -9.457 -0.479 1.00 0.00 C ATOM 258 C GLY A 16 0.426 -9.288 -0.032 1.00 0.00 C ATOM 259 O GLY A 16 0.709 -8.545 0.890 1.00 0.00 O ATOM 0 H GLY A 16 -1.329 -10.387 -2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.642 -8.636 -0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.450 -10.378 -0.070 1.00 0.00 H new ATOM 263 N ARG A 17 1.361 -9.957 -0.683 1.00 0.00 N ATOM 264 CA ARG A 17 2.808 -9.803 -0.281 1.00 0.00 C ATOM 265 C ARG A 17 3.232 -8.324 -0.347 1.00 0.00 C ATOM 266 O ARG A 17 4.088 -7.899 0.405 1.00 0.00 O ATOM 267 CB ARG A 17 3.637 -10.630 -1.274 1.00 0.00 C ATOM 268 CG ARG A 17 4.948 -11.061 -0.611 1.00 0.00 C ATOM 269 CD ARG A 17 4.773 -12.444 0.017 1.00 0.00 C ATOM 270 NE ARG A 17 5.614 -12.416 1.246 1.00 0.00 N ATOM 271 CZ ARG A 17 6.602 -13.260 1.379 1.00 0.00 C ATOM 272 NH1 ARG A 17 6.376 -14.465 1.826 1.00 0.00 N ATOM 273 NH2 ARG A 17 7.816 -12.897 1.067 1.00 0.00 N ATOM 0 H ARG A 17 1.190 -10.593 -1.462 1.00 0.00 H new ATOM 0 HA ARG A 17 2.961 -10.145 0.742 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.073 -11.507 -1.593 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.845 -10.042 -2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.750 -11.084 -1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.237 -10.338 0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.728 -12.639 0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.096 -13.231 -0.665 1.00 0.00 H new ATOM 0 HE ARG A 17 5.419 -11.738 1.983 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.427 -14.748 2.072 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.148 -15.124 1.930 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.993 -11.955 0.719 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.588 -13.556 1.171 1.00 0.00 H new ATOM 287 N TYR A 18 2.647 -7.527 -1.229 1.00 0.00 N ATOM 288 CA TYR A 18 3.047 -6.068 -1.304 1.00 0.00 C ATOM 289 C TYR A 18 2.928 -5.433 0.086 1.00 0.00 C ATOM 290 O TYR A 18 3.816 -4.727 0.527 1.00 0.00 O ATOM 291 CB TYR A 18 2.062 -5.378 -2.268 1.00 0.00 C ATOM 292 CG TYR A 18 2.681 -5.202 -3.631 1.00 0.00 C ATOM 293 CD1 TYR A 18 3.300 -6.281 -4.274 1.00 0.00 C ATOM 294 CD2 TYR A 18 2.621 -3.954 -4.260 1.00 0.00 C ATOM 295 CE1 TYR A 18 3.858 -6.109 -5.547 1.00 0.00 C ATOM 296 CE2 TYR A 18 3.177 -3.780 -5.529 1.00 0.00 C ATOM 297 CZ TYR A 18 3.797 -4.858 -6.175 1.00 0.00 C ATOM 298 OH TYR A 18 4.346 -4.688 -7.429 1.00 0.00 O ATOM 0 H TYR A 18 1.924 -7.816 -1.888 1.00 0.00 H new ATOM 0 HA TYR A 18 4.075 -5.962 -1.651 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.152 -5.972 -2.351 1.00 0.00 H new ATOM 0 HB3 TYR A 18 1.774 -4.407 -1.866 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.347 -7.245 -3.789 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.143 -3.123 -3.763 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.335 -6.940 -6.044 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.129 -2.815 -6.012 1.00 0.00 H new ATOM 0 HH TYR A 18 4.216 -3.761 -7.720 1.00 0.00 H new ATOM 308 N ALA A 19 1.846 -5.698 0.789 1.00 0.00 N ATOM 309 CA ALA A 19 1.706 -5.114 2.166 1.00 0.00 C ATOM 310 C ALA A 19 2.633 -5.866 3.132 1.00 0.00 C ATOM 311 O ALA A 19 3.192 -5.276 4.037 1.00 0.00 O ATOM 312 CB ALA A 19 0.239 -5.287 2.584 1.00 0.00 C ATOM 0 H ALA A 19 1.069 -6.281 0.477 1.00 0.00 H new ATOM 0 HA ALA A 19 1.981 -4.059 2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.094 -4.874 3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.405 -4.763 1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.015 -6.347 2.589 1.00 0.00 H new ATOM 318 N THR A 20 2.815 -7.165 2.947 1.00 0.00 N ATOM 319 CA THR A 20 3.727 -7.918 3.873 1.00 0.00 C ATOM 320 C THR A 20 5.187 -7.520 3.628 1.00 0.00 C ATOM 321 O THR A 20 5.971 -7.477 4.558 1.00 0.00 O ATOM 322 CB THR A 20 3.516 -9.414 3.606 1.00 0.00 C ATOM 323 OG1 THR A 20 2.253 -9.609 2.977 1.00 0.00 O ATOM 324 CG2 THR A 20 3.549 -10.161 4.941 1.00 0.00 C ATOM 0 H THR A 20 2.380 -7.720 2.211 1.00 0.00 H new ATOM 0 HA THR A 20 3.500 -7.684 4.913 1.00 0.00 H new ATOM 0 HB THR A 20 4.302 -9.792 2.952 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.171 -10.542 2.689 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.400 -11.226 4.766 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.514 -10.004 5.422 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.756 -9.786 5.588 1.00 0.00 H new ATOM 332 N ALA A 21 5.567 -7.197 2.403 1.00 0.00 N ATOM 333 CA ALA A 21 6.990 -6.772 2.177 1.00 0.00 C ATOM 334 C ALA A 21 7.206 -5.319 2.653 1.00 0.00 C ATOM 335 O ALA A 21 8.333 -4.869 2.748 1.00 0.00 O ATOM 336 CB ALA A 21 7.258 -6.893 0.669 1.00 0.00 C ATOM 0 H ALA A 21 4.970 -7.209 1.576 1.00 0.00 H new ATOM 0 HA ALA A 21 7.677 -7.400 2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.284 -6.593 0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.109 -7.926 0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.571 -6.246 0.124 1.00 0.00 H new ATOM 342 N LEU A 22 6.154 -4.588 2.988 1.00 0.00 N ATOM 343 CA LEU A 22 6.351 -3.192 3.491 1.00 0.00 C ATOM 344 C LEU A 22 6.202 -3.205 5.005 1.00 0.00 C ATOM 345 O LEU A 22 7.041 -2.676 5.713 1.00 0.00 O ATOM 346 CB LEU A 22 5.259 -2.332 2.842 1.00 0.00 C ATOM 347 CG LEU A 22 5.408 -0.871 3.307 1.00 0.00 C ATOM 348 CD1 LEU A 22 5.808 0.013 2.123 1.00 0.00 C ATOM 349 CD2 LEU A 22 4.079 -0.374 3.884 1.00 0.00 C ATOM 0 H LEU A 22 5.184 -4.900 2.933 1.00 0.00 H new ATOM 0 HA LEU A 22 7.335 -2.794 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.335 -2.388 1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.274 -2.712 3.113 1.00 0.00 H new ATOM 0 HG LEU A 22 6.180 -0.820 4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.912 1.045 2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.758 -0.333 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.040 -0.042 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.189 0.660 4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.306 -0.432 3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.796 -0.996 4.733 1.00 0.00 H new ATOM 361 N TYR A 23 5.169 -3.842 5.519 1.00 0.00 N ATOM 362 CA TYR A 23 5.039 -3.908 6.996 1.00 0.00 C ATOM 363 C TYR A 23 6.154 -4.825 7.560 1.00 0.00 C ATOM 364 O TYR A 23 6.449 -4.745 8.732 1.00 0.00 O ATOM 365 CB TYR A 23 3.590 -4.393 7.305 1.00 0.00 C ATOM 366 CG TYR A 23 3.571 -5.709 8.037 1.00 0.00 C ATOM 367 CD1 TYR A 23 4.010 -5.782 9.359 1.00 0.00 C ATOM 368 CD2 TYR A 23 3.130 -6.849 7.378 1.00 0.00 C ATOM 369 CE1 TYR A 23 4.013 -7.005 10.023 1.00 0.00 C ATOM 370 CE2 TYR A 23 3.128 -8.071 8.031 1.00 0.00 C ATOM 371 CZ TYR A 23 3.572 -8.160 9.359 1.00 0.00 C ATOM 372 OH TYR A 23 3.572 -9.376 10.010 1.00 0.00 O ATOM 0 H TYR A 23 4.433 -4.305 4.986 1.00 0.00 H new ATOM 0 HA TYR A 23 5.177 -2.943 7.483 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.077 -3.640 7.903 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.035 -4.491 6.372 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.347 -4.890 9.867 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.788 -6.783 6.356 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.354 -7.065 11.046 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.784 -8.956 7.517 1.00 0.00 H new ATOM 0 HH TYR A 23 3.161 -10.055 9.435 1.00 0.00 H new ATOM 382 N SER A 24 6.801 -5.676 6.750 1.00 0.00 N ATOM 383 CA SER A 24 7.916 -6.539 7.314 1.00 0.00 C ATOM 384 C SER A 24 8.880 -5.651 8.122 1.00 0.00 C ATOM 385 O SER A 24 9.348 -6.034 9.177 1.00 0.00 O ATOM 386 CB SER A 24 8.643 -7.169 6.117 1.00 0.00 C ATOM 387 OG SER A 24 9.022 -6.146 5.206 1.00 0.00 O ATOM 0 H SER A 24 6.608 -5.802 5.756 1.00 0.00 H new ATOM 0 HA SER A 24 7.530 -7.315 7.975 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.524 -7.713 6.457 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.994 -7.891 5.621 1.00 0.00 H new ATOM 0 HG SER A 24 9.896 -6.361 4.817 1.00 0.00 H new ATOM 393 N ALA A 25 9.113 -4.431 7.665 1.00 0.00 N ATOM 394 CA ALA A 25 9.972 -3.498 8.459 1.00 0.00 C ATOM 395 C ALA A 25 9.104 -2.929 9.595 1.00 0.00 C ATOM 396 O ALA A 25 9.556 -2.798 10.717 1.00 0.00 O ATOM 397 CB ALA A 25 10.431 -2.377 7.512 1.00 0.00 C ATOM 0 H ALA A 25 8.749 -4.054 6.790 1.00 0.00 H new ATOM 0 HA ALA A 25 10.846 -3.992 8.884 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.062 -1.675 8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.997 -2.807 6.686 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.560 -1.853 7.120 1.00 0.00 H new ATOM 403 N ALA A 26 7.843 -2.616 9.320 1.00 0.00 N ATOM 404 CA ALA A 26 6.950 -2.088 10.412 1.00 0.00 C ATOM 405 C ALA A 26 6.844 -3.126 11.544 1.00 0.00 C ATOM 406 O ALA A 26 6.772 -2.767 12.702 1.00 0.00 O ATOM 407 CB ALA A 26 5.562 -1.855 9.785 1.00 0.00 C ATOM 0 H ALA A 26 7.406 -2.703 8.403 1.00 0.00 H new ATOM 0 HA ALA A 26 7.348 -1.164 10.831 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.880 -1.471 10.544 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.646 -1.132 8.973 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.177 -2.797 9.394 1.00 0.00 H new ATOM 413 N SER A 27 6.840 -4.414 11.227 1.00 0.00 N ATOM 414 CA SER A 27 6.744 -5.452 12.317 1.00 0.00 C ATOM 415 C SER A 27 7.893 -5.253 13.318 1.00 0.00 C ATOM 416 O SER A 27 7.695 -5.334 14.516 1.00 0.00 O ATOM 417 CB SER A 27 6.865 -6.825 11.638 1.00 0.00 C ATOM 418 OG SER A 27 8.238 -7.180 11.539 1.00 0.00 O ATOM 0 H SER A 27 6.898 -4.782 10.278 1.00 0.00 H new ATOM 0 HA SER A 27 5.802 -5.372 12.860 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.324 -7.577 12.212 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.413 -6.795 10.647 1.00 0.00 H new ATOM 0 HG SER A 27 8.620 -6.787 10.726 1.00 0.00 H new ATOM 424 N LYS A 28 9.091 -4.971 12.839 1.00 0.00 N ATOM 425 CA LYS A 28 10.235 -4.742 13.792 1.00 0.00 C ATOM 426 C LYS A 28 9.932 -3.500 14.647 1.00 0.00 C ATOM 427 O LYS A 28 10.178 -3.490 15.838 1.00 0.00 O ATOM 428 CB LYS A 28 11.491 -4.507 12.937 1.00 0.00 C ATOM 429 CG LYS A 28 12.723 -5.019 13.686 1.00 0.00 C ATOM 430 CD LYS A 28 13.744 -5.557 12.682 1.00 0.00 C ATOM 431 CE LYS A 28 13.273 -6.912 12.151 1.00 0.00 C ATOM 432 NZ LYS A 28 13.858 -7.915 13.084 1.00 0.00 N ATOM 0 H LYS A 28 9.322 -4.891 11.849 1.00 0.00 H new ATOM 0 HA LYS A 28 10.382 -5.592 14.458 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.394 -5.021 11.981 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.601 -3.445 12.718 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.165 -4.214 14.274 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.436 -5.804 14.385 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.865 -4.854 11.858 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.719 -5.660 13.159 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.185 -6.974 12.136 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.615 -7.076 11.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.579 -8.871 12.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.895 -7.837 13.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.509 -7.738 14.048 1.00 0.00 H new ATOM 446 N GLN A 29 9.379 -2.458 14.053 1.00 0.00 N ATOM 447 CA GLN A 29 9.042 -1.230 14.856 1.00 0.00 C ATOM 448 C GLN A 29 7.685 -1.389 15.581 1.00 0.00 C ATOM 449 O GLN A 29 7.354 -0.588 16.433 1.00 0.00 O ATOM 450 CB GLN A 29 8.974 -0.064 13.857 1.00 0.00 C ATOM 451 CG GLN A 29 10.366 0.191 13.275 1.00 0.00 C ATOM 452 CD GLN A 29 10.324 1.430 12.371 1.00 0.00 C ATOM 453 OE1 GLN A 29 10.867 2.460 12.717 1.00 0.00 O ATOM 454 NE2 GLN A 29 9.700 1.379 11.219 1.00 0.00 N ATOM 0 H GLN A 29 9.150 -2.406 13.060 1.00 0.00 H new ATOM 0 HA GLN A 29 9.794 -1.058 15.626 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.271 -0.297 13.057 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.606 0.834 14.354 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.087 0.339 14.079 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.698 -0.677 12.705 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.243 0.516 10.924 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.672 2.202 10.617 1.00 0.00 H new ATOM 463 N ASN A 30 6.884 -2.400 15.247 1.00 0.00 N ATOM 464 CA ASN A 30 5.548 -2.596 15.906 1.00 0.00 C ATOM 465 C ASN A 30 4.581 -1.509 15.432 1.00 0.00 C ATOM 466 O ASN A 30 3.808 -0.979 16.207 1.00 0.00 O ATOM 467 CB ASN A 30 5.763 -2.522 17.428 1.00 0.00 C ATOM 468 CG ASN A 30 4.781 -3.468 18.130 1.00 0.00 C ATOM 469 OD1 ASN A 30 3.736 -3.042 18.583 1.00 0.00 O ATOM 470 ND2 ASN A 30 5.067 -4.742 18.243 1.00 0.00 N ATOM 0 H ASN A 30 7.111 -3.098 14.538 1.00 0.00 H new ATOM 0 HA ASN A 30 5.117 -3.562 15.644 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.789 -2.797 17.675 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.614 -1.501 17.778 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.414 -5.372 18.709 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.942 -5.104 17.864 1.00 0.00 H new ATOM 477 N LYS A 31 4.611 -1.181 14.155 1.00 0.00 N ATOM 478 CA LYS A 31 3.683 -0.138 13.634 1.00 0.00 C ATOM 479 C LYS A 31 2.625 -0.751 12.694 1.00 0.00 C ATOM 480 O LYS A 31 2.032 -0.039 11.905 1.00 0.00 O ATOM 481 CB LYS A 31 4.571 0.847 12.872 1.00 0.00 C ATOM 482 CG LYS A 31 5.175 1.855 13.850 1.00 0.00 C ATOM 483 CD LYS A 31 5.940 2.927 13.070 1.00 0.00 C ATOM 484 CE LYS A 31 6.407 4.023 14.032 1.00 0.00 C ATOM 485 NZ LYS A 31 7.664 4.549 13.432 1.00 0.00 N ATOM 0 H LYS A 31 5.237 -1.592 13.462 1.00 0.00 H new ATOM 0 HA LYS A 31 3.132 0.345 14.441 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.364 0.310 12.352 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.987 1.367 12.113 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.388 2.316 14.446 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.845 1.348 14.544 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.797 2.482 12.565 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.301 3.355 12.297 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.657 4.808 14.130 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.583 3.623 15.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.046 5.306 14.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.361 3.781 13.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.464 4.929 12.485 1.00 0.00 H new ATOM 499 N LEU A 32 2.359 -2.054 12.765 1.00 0.00 N ATOM 500 CA LEU A 32 1.308 -2.655 11.860 1.00 0.00 C ATOM 501 C LEU A 32 0.000 -1.854 11.962 1.00 0.00 C ATOM 502 O LEU A 32 -0.694 -1.684 10.984 1.00 0.00 O ATOM 503 CB LEU A 32 1.092 -4.096 12.337 1.00 0.00 C ATOM 504 CG LEU A 32 2.077 -5.023 11.601 1.00 0.00 C ATOM 505 CD1 LEU A 32 2.818 -5.911 12.606 1.00 0.00 C ATOM 506 CD2 LEU A 32 1.314 -5.893 10.587 1.00 0.00 C ATOM 0 H LEU A 32 2.816 -2.710 13.398 1.00 0.00 H new ATOM 0 HA LEU A 32 1.625 -2.632 10.817 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.246 -4.163 13.414 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.066 -4.407 12.142 1.00 0.00 H new ATOM 0 HG LEU A 32 2.808 -4.414 11.069 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.512 -6.562 12.074 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.372 -5.285 13.305 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.098 -6.519 13.155 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.015 -6.547 10.069 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.573 -6.497 11.111 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.812 -5.252 9.862 1.00 0.00 H new ATOM 518 N GLU A 33 -0.327 -1.330 13.131 1.00 0.00 N ATOM 519 CA GLU A 33 -1.583 -0.506 13.239 1.00 0.00 C ATOM 520 C GLU A 33 -1.396 0.766 12.396 1.00 0.00 C ATOM 521 O GLU A 33 -2.280 1.162 11.660 1.00 0.00 O ATOM 522 CB GLU A 33 -1.763 -0.148 14.723 1.00 0.00 C ATOM 523 CG GLU A 33 -3.048 0.662 14.901 1.00 0.00 C ATOM 524 CD GLU A 33 -3.128 1.184 16.336 1.00 0.00 C ATOM 525 OE1 GLU A 33 -3.569 0.438 17.194 1.00 0.00 O ATOM 526 OE2 GLU A 33 -2.749 2.323 16.553 1.00 0.00 O ATOM 0 H GLU A 33 0.208 -1.434 13.993 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.460 -1.043 12.878 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.807 -1.056 15.324 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.907 0.427 15.076 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.065 1.495 14.198 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.916 0.040 14.680 1.00 0.00 H new ATOM 533 N GLN A 34 -0.236 1.393 12.477 1.00 0.00 N ATOM 534 CA GLN A 34 0.012 2.626 11.642 1.00 0.00 C ATOM 535 C GLN A 34 -0.103 2.298 10.141 1.00 0.00 C ATOM 536 O GLN A 34 -0.348 3.181 9.339 1.00 0.00 O ATOM 537 CB GLN A 34 1.441 3.099 11.966 1.00 0.00 C ATOM 538 CG GLN A 34 1.509 3.594 13.419 1.00 0.00 C ATOM 539 CD GLN A 34 2.118 5.003 13.461 1.00 0.00 C ATOM 540 OE1 GLN A 34 3.210 5.184 13.964 1.00 0.00 O ATOM 541 NE2 GLN A 34 1.459 6.015 12.954 1.00 0.00 N ATOM 0 H GLN A 34 0.539 1.110 13.076 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.724 3.398 11.867 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.147 2.282 11.817 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.732 3.899 11.286 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.510 3.606 13.856 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.110 2.910 14.018 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.543 5.867 12.531 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.862 6.952 12.982 1.00 0.00 H new ATOM 550 N VAL A 35 0.081 1.052 9.744 1.00 0.00 N ATOM 551 CA VAL A 35 -0.014 0.715 8.284 1.00 0.00 C ATOM 552 C VAL A 35 -1.353 0.012 7.982 1.00 0.00 C ATOM 553 O VAL A 35 -2.014 0.331 7.012 1.00 0.00 O ATOM 554 CB VAL A 35 1.172 -0.232 7.946 1.00 0.00 C ATOM 555 CG1 VAL A 35 1.603 0.013 6.500 1.00 0.00 C ATOM 556 CG2 VAL A 35 2.394 0.001 8.863 1.00 0.00 C ATOM 0 H VAL A 35 0.290 0.267 10.361 1.00 0.00 H new ATOM 0 HA VAL A 35 0.032 1.622 7.681 1.00 0.00 H new ATOM 0 HB VAL A 35 0.827 -1.255 8.096 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.435 -0.646 6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.766 -0.191 5.832 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.915 1.051 6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.194 -0.685 8.585 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.742 1.028 8.751 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.109 -0.175 9.900 1.00 0.00 H new ATOM 566 N GLU A 36 -1.758 -0.945 8.794 1.00 0.00 N ATOM 567 CA GLU A 36 -3.059 -1.663 8.527 1.00 0.00 C ATOM 568 C GLU A 36 -4.246 -0.682 8.536 1.00 0.00 C ATOM 569 O GLU A 36 -5.209 -0.878 7.818 1.00 0.00 O ATOM 570 CB GLU A 36 -3.237 -2.690 9.657 1.00 0.00 C ATOM 571 CG GLU A 36 -4.193 -3.794 9.197 1.00 0.00 C ATOM 572 CD GLU A 36 -4.480 -4.740 10.364 1.00 0.00 C ATOM 573 OE1 GLU A 36 -5.389 -4.452 11.126 1.00 0.00 O ATOM 574 OE2 GLU A 36 -3.787 -5.737 10.477 1.00 0.00 O ATOM 0 H GLU A 36 -1.251 -1.259 9.622 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.032 -2.138 7.546 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.272 -3.119 9.928 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.631 -2.201 10.548 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.122 -3.356 8.833 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.754 -4.347 8.366 1.00 0.00 H new ATOM 581 N LYS A 37 -4.203 0.358 9.350 1.00 0.00 N ATOM 582 CA LYS A 37 -5.365 1.315 9.388 1.00 0.00 C ATOM 583 C LYS A 37 -5.264 2.349 8.262 1.00 0.00 C ATOM 584 O LYS A 37 -6.246 2.622 7.595 1.00 0.00 O ATOM 585 CB LYS A 37 -5.320 2.007 10.759 1.00 0.00 C ATOM 586 CG LYS A 37 -6.549 2.906 10.919 1.00 0.00 C ATOM 587 CD LYS A 37 -7.676 2.116 11.588 1.00 0.00 C ATOM 588 CE LYS A 37 -9.001 2.856 11.396 1.00 0.00 C ATOM 589 NZ LYS A 37 -10.052 1.829 11.640 1.00 0.00 N ATOM 0 H LYS A 37 -3.430 0.581 9.977 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.306 0.783 9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.296 1.261 11.554 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.409 2.599 10.850 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.297 3.780 11.519 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.875 3.271 9.945 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.740 1.117 11.157 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.467 1.992 12.651 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.093 3.689 12.093 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.080 3.271 10.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.992 2.260 11.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.943 1.052 10.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.956 1.457 12.606 1.00 0.00 H new ATOM 603 N GLU A 38 -4.100 2.921 8.023 1.00 0.00 N ATOM 604 CA GLU A 38 -4.006 3.921 6.906 1.00 0.00 C ATOM 605 C GLU A 38 -4.207 3.202 5.563 1.00 0.00 C ATOM 606 O GLU A 38 -4.804 3.747 4.654 1.00 0.00 O ATOM 607 CB GLU A 38 -2.616 4.556 6.990 1.00 0.00 C ATOM 608 CG GLU A 38 -2.652 5.721 7.983 1.00 0.00 C ATOM 609 CD GLU A 38 -2.932 5.192 9.392 1.00 0.00 C ATOM 610 OE1 GLU A 38 -4.096 5.087 9.743 1.00 0.00 O ATOM 611 OE2 GLU A 38 -1.979 4.898 10.094 1.00 0.00 O ATOM 0 H GLU A 38 -3.236 2.745 8.537 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.773 4.692 6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.883 3.814 7.308 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.305 4.910 6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.701 6.254 7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.423 6.435 7.693 1.00 0.00 H new ATOM 618 N LEU A 39 -3.742 1.968 5.430 1.00 0.00 N ATOM 619 CA LEU A 39 -3.952 1.224 4.132 1.00 0.00 C ATOM 620 C LEU A 39 -5.451 1.211 3.777 1.00 0.00 C ATOM 621 O LEU A 39 -5.815 1.306 2.620 1.00 0.00 O ATOM 622 CB LEU A 39 -3.457 -0.221 4.348 1.00 0.00 C ATOM 623 CG LEU A 39 -2.089 -0.405 3.689 1.00 0.00 C ATOM 624 CD1 LEU A 39 -1.489 -1.743 4.127 1.00 0.00 C ATOM 625 CD2 LEU A 39 -2.252 -0.390 2.165 1.00 0.00 C ATOM 0 H LEU A 39 -3.236 1.454 6.151 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.409 1.703 3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.389 -0.436 5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.172 -0.927 3.926 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.426 0.406 3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.514 -1.875 3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.375 -1.753 5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.150 -2.555 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.278 -0.521 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.914 -1.201 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.680 0.563 1.854 1.00 0.00 H new ATOM 637 N LEU A 40 -6.328 1.098 4.763 1.00 0.00 N ATOM 638 CA LEU A 40 -7.806 1.090 4.448 1.00 0.00 C ATOM 639 C LEU A 40 -8.194 2.360 3.666 1.00 0.00 C ATOM 640 O LEU A 40 -9.049 2.315 2.802 1.00 0.00 O ATOM 641 CB LEU A 40 -8.545 1.056 5.794 1.00 0.00 C ATOM 642 CG LEU A 40 -8.602 -0.382 6.310 1.00 0.00 C ATOM 643 CD1 LEU A 40 -8.798 -0.375 7.826 1.00 0.00 C ATOM 644 CD2 LEU A 40 -9.773 -1.114 5.650 1.00 0.00 C ATOM 0 H LEU A 40 -6.090 1.013 5.751 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.067 0.229 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.035 1.693 6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.554 1.452 5.677 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.669 -0.891 6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.838 -1.401 8.192 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.965 0.146 8.298 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.730 0.134 8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.815 -2.139 6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.705 -0.603 5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.635 -1.121 4.569 1.00 0.00 H new ATOM 656 N ARG A 41 -7.576 3.491 3.958 1.00 0.00 N ATOM 657 CA ARG A 41 -7.935 4.752 3.208 1.00 0.00 C ATOM 658 C ARG A 41 -7.707 4.554 1.702 1.00 0.00 C ATOM 659 O ARG A 41 -8.502 4.996 0.893 1.00 0.00 O ATOM 660 CB ARG A 41 -7.015 5.863 3.741 1.00 0.00 C ATOM 661 CG ARG A 41 -7.481 6.286 5.135 1.00 0.00 C ATOM 662 CD ARG A 41 -8.459 7.456 5.015 1.00 0.00 C ATOM 663 NE ARG A 41 -8.923 7.713 6.406 1.00 0.00 N ATOM 664 CZ ARG A 41 -10.069 7.238 6.811 1.00 0.00 C ATOM 665 NH1 ARG A 41 -10.149 6.013 7.253 1.00 0.00 N ATOM 666 NH2 ARG A 41 -11.137 7.988 6.772 1.00 0.00 N ATOM 0 H ARG A 41 -6.852 3.596 4.669 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.984 5.009 3.354 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.985 5.508 3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.031 6.718 3.065 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.961 5.447 5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.624 6.576 5.744 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.973 8.335 4.592 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.294 7.207 4.360 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.345 8.261 7.043 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.315 5.426 7.282 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.045 5.642 7.569 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.076 8.945 6.425 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.033 7.617 7.089 1.00 0.00 H new ATOM 680 N VAL A 42 -6.636 3.886 1.313 1.00 0.00 N ATOM 681 CA VAL A 42 -6.395 3.667 -0.158 1.00 0.00 C ATOM 682 C VAL A 42 -7.479 2.731 -0.717 1.00 0.00 C ATOM 683 O VAL A 42 -7.974 2.939 -1.809 1.00 0.00 O ATOM 684 CB VAL A 42 -5.001 3.028 -0.289 1.00 0.00 C ATOM 685 CG1 VAL A 42 -4.690 2.762 -1.764 1.00 0.00 C ATOM 686 CG2 VAL A 42 -3.949 3.982 0.285 1.00 0.00 C ATOM 0 H VAL A 42 -5.932 3.491 1.937 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.438 4.601 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.984 2.086 0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.702 2.310 -1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.437 2.084 -2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.709 3.702 -2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.961 3.532 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.972 4.922 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.165 4.172 1.336 1.00 0.00 H new ATOM 696 N GLY A 43 -7.862 1.709 0.024 1.00 0.00 N ATOM 697 CA GLY A 43 -8.920 0.782 -0.472 1.00 0.00 C ATOM 698 C GLY A 43 -10.254 1.537 -0.531 1.00 0.00 C ATOM 699 O GLY A 43 -10.981 1.437 -1.500 1.00 0.00 O ATOM 0 H GLY A 43 -7.485 1.484 0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.657 0.404 -1.460 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.004 -0.081 0.188 1.00 0.00 H new ATOM 703 N GLN A 44 -10.577 2.308 0.492 1.00 0.00 N ATOM 704 CA GLN A 44 -11.874 3.081 0.459 1.00 0.00 C ATOM 705 C GLN A 44 -11.877 4.029 -0.753 1.00 0.00 C ATOM 706 O GLN A 44 -12.895 4.211 -1.395 1.00 0.00 O ATOM 707 CB GLN A 44 -11.946 3.889 1.765 1.00 0.00 C ATOM 708 CG GLN A 44 -13.407 4.203 2.092 1.00 0.00 C ATOM 709 CD GLN A 44 -13.550 4.467 3.596 1.00 0.00 C ATOM 710 OE1 GLN A 44 -12.930 3.798 4.399 1.00 0.00 O ATOM 711 NE2 GLN A 44 -14.345 5.419 4.021 1.00 0.00 N ATOM 0 H GLN A 44 -10.012 2.435 1.332 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.732 2.414 0.370 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.493 3.324 2.580 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.378 4.814 1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.738 5.074 1.526 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.044 3.369 1.796 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -14.868 5.984 3.351 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -14.441 5.595 5.021 1.00 0.00 H new ATOM 720 N ILE A 45 -10.743 4.620 -1.084 1.00 0.00 N ATOM 721 CA ILE A 45 -10.702 5.537 -2.278 1.00 0.00 C ATOM 722 C ILE A 45 -11.018 4.719 -3.536 1.00 0.00 C ATOM 723 O ILE A 45 -11.961 5.008 -4.245 1.00 0.00 O ATOM 724 CB ILE A 45 -9.266 6.105 -2.338 1.00 0.00 C ATOM 725 CG1 ILE A 45 -9.043 7.033 -1.139 1.00 0.00 C ATOM 726 CG2 ILE A 45 -9.049 6.895 -3.636 1.00 0.00 C ATOM 727 CD1 ILE A 45 -7.549 7.099 -0.799 1.00 0.00 C ATOM 0 H ILE A 45 -9.859 4.509 -0.588 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.429 6.346 -2.209 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.559 5.276 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.417 8.031 -1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.605 6.670 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.032 7.286 -3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.204 6.238 -4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.757 7.723 -3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.399 7.761 0.054 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.188 6.101 -0.552 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.997 7.483 -1.657 1.00 0.00 H new ATOM 739 N LEU A 46 -10.240 3.694 -3.814 1.00 0.00 N ATOM 740 CA LEU A 46 -10.516 2.864 -5.042 1.00 0.00 C ATOM 741 C LEU A 46 -11.950 2.308 -5.011 1.00 0.00 C ATOM 742 O LEU A 46 -12.590 2.191 -6.040 1.00 0.00 O ATOM 743 CB LEU A 46 -9.509 1.701 -5.026 1.00 0.00 C ATOM 744 CG LEU A 46 -9.216 1.229 -6.456 1.00 0.00 C ATOM 745 CD1 LEU A 46 -10.512 0.789 -7.147 1.00 0.00 C ATOM 746 CD2 LEU A 46 -8.574 2.368 -7.253 1.00 0.00 C ATOM 0 H LEU A 46 -9.439 3.398 -3.256 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.415 3.469 -5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.584 2.019 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.907 0.874 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.532 0.381 -6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.289 0.457 -8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.963 -0.031 -6.587 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.207 1.628 -7.185 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.367 2.030 -8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.255 3.218 -7.285 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.642 2.668 -6.773 1.00 0.00 H new ATOM 758 N LYS A 47 -12.470 1.979 -3.845 1.00 0.00 N ATOM 759 CA LYS A 47 -13.873 1.449 -3.781 1.00 0.00 C ATOM 760 C LYS A 47 -14.840 2.532 -4.265 1.00 0.00 C ATOM 761 O LYS A 47 -15.857 2.229 -4.864 1.00 0.00 O ATOM 762 CB LYS A 47 -14.159 1.101 -2.310 1.00 0.00 C ATOM 763 CG LYS A 47 -13.672 -0.319 -2.016 1.00 0.00 C ATOM 764 CD LYS A 47 -14.164 -0.750 -0.634 1.00 0.00 C ATOM 765 CE LYS A 47 -13.130 -1.678 0.010 1.00 0.00 C ATOM 766 NZ LYS A 47 -13.598 -1.858 1.413 1.00 0.00 N ATOM 0 H LYS A 47 -11.990 2.054 -2.948 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.996 0.568 -4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.657 1.812 -1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.227 1.179 -2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.042 -1.007 -2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.583 -0.357 -2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.325 0.125 -0.004 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.123 -1.261 -0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.075 -2.632 -0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.132 -1.240 -0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.940 -2.483 1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.634 -0.934 1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.547 -2.283 1.411 1.00 0.00 H new ATOM 780 N GLU A 48 -14.540 3.796 -4.019 1.00 0.00 N ATOM 781 CA GLU A 48 -15.470 4.867 -4.489 1.00 0.00 C ATOM 782 C GLU A 48 -15.396 4.982 -6.021 1.00 0.00 C ATOM 783 O GLU A 48 -14.330 4.852 -6.588 1.00 0.00 O ATOM 784 CB GLU A 48 -15.022 6.180 -3.826 1.00 0.00 C ATOM 785 CG GLU A 48 -15.365 6.143 -2.336 1.00 0.00 C ATOM 786 CD GLU A 48 -15.069 7.507 -1.709 1.00 0.00 C ATOM 787 OE1 GLU A 48 -15.544 8.497 -2.242 1.00 0.00 O ATOM 788 OE2 GLU A 48 -14.373 7.538 -0.709 1.00 0.00 O ATOM 0 H GLU A 48 -13.709 4.119 -3.524 1.00 0.00 H new ATOM 0 HA GLU A 48 -16.502 4.640 -4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.949 6.320 -3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.515 7.027 -4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -16.416 5.889 -2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.783 5.368 -1.837 1.00 0.00 H new ATOM 795 N PRO A 49 -16.527 5.219 -6.652 1.00 0.00 N ATOM 796 CA PRO A 49 -16.546 5.341 -8.133 1.00 0.00 C ATOM 797 C PRO A 49 -15.882 6.655 -8.571 1.00 0.00 C ATOM 798 O PRO A 49 -15.137 6.684 -9.533 1.00 0.00 O ATOM 799 CB PRO A 49 -18.032 5.342 -8.478 1.00 0.00 C ATOM 800 CG PRO A 49 -18.714 5.831 -7.242 1.00 0.00 C ATOM 801 CD PRO A 49 -17.870 5.397 -6.074 1.00 0.00 C ATOM 0 HA PRO A 49 -16.000 4.542 -8.634 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -18.240 5.993 -9.327 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -18.375 4.344 -8.750 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.817 6.916 -7.262 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -19.719 5.417 -7.167 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -17.868 6.147 -5.283 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.242 4.471 -5.635 1.00 0.00 H new ATOM 809 N LYS A 50 -16.135 7.745 -7.871 1.00 0.00 N ATOM 810 CA LYS A 50 -15.493 9.054 -8.267 1.00 0.00 C ATOM 811 C LYS A 50 -13.959 8.916 -8.290 1.00 0.00 C ATOM 812 O LYS A 50 -13.294 9.544 -9.092 1.00 0.00 O ATOM 813 CB LYS A 50 -15.910 10.088 -7.209 1.00 0.00 C ATOM 814 CG LYS A 50 -17.400 10.404 -7.362 1.00 0.00 C ATOM 815 CD LYS A 50 -17.772 11.567 -6.441 1.00 0.00 C ATOM 816 CE LYS A 50 -17.406 12.891 -7.116 1.00 0.00 C ATOM 817 NZ LYS A 50 -18.533 13.172 -8.048 1.00 0.00 N ATOM 0 H LYS A 50 -16.747 7.788 -7.056 1.00 0.00 H new ATOM 0 HA LYS A 50 -15.812 9.356 -9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -15.710 9.702 -6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.321 10.998 -7.323 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.624 10.660 -8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -17.996 9.526 -7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.839 11.542 -6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -17.247 11.474 -5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -17.291 13.689 -6.383 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -16.460 12.813 -7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -18.158 13.541 -8.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -19.061 12.295 -8.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -19.168 13.877 -7.622 1.00 0.00 H new ATOM 831 N MET A 51 -13.387 8.099 -7.424 1.00 0.00 N ATOM 832 CA MET A 51 -11.891 7.938 -7.424 1.00 0.00 C ATOM 833 C MET A 51 -11.468 6.870 -8.442 1.00 0.00 C ATOM 834 O MET A 51 -10.456 7.011 -9.103 1.00 0.00 O ATOM 835 CB MET A 51 -11.501 7.492 -6.009 1.00 0.00 C ATOM 836 CG MET A 51 -12.000 8.507 -4.979 1.00 0.00 C ATOM 837 SD MET A 51 -11.196 10.111 -5.245 1.00 0.00 S ATOM 838 CE MET A 51 -9.534 9.631 -4.716 1.00 0.00 C ATOM 0 H MET A 51 -13.885 7.545 -6.727 1.00 0.00 H new ATOM 0 HA MET A 51 -11.398 8.871 -7.699 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.926 6.511 -5.799 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.418 7.392 -5.937 1.00 0.00 H new ATOM 0 HG2 MET A 51 -13.082 8.616 -5.059 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.789 8.148 -3.972 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.881 10.503 -4.733 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.576 9.229 -3.704 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.142 8.871 -5.392 1.00 0.00 H new ATOM 848 N ALA A 52 -12.228 5.796 -8.580 1.00 0.00 N ATOM 849 CA ALA A 52 -11.839 4.725 -9.573 1.00 0.00 C ATOM 850 C ALA A 52 -11.641 5.348 -10.964 1.00 0.00 C ATOM 851 O ALA A 52 -10.717 5.001 -11.676 1.00 0.00 O ATOM 852 CB ALA A 52 -12.997 3.714 -9.608 1.00 0.00 C ATOM 0 H ALA A 52 -13.086 5.616 -8.058 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.905 4.242 -9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.763 2.917 -10.314 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.139 3.289 -8.615 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.911 4.219 -9.920 1.00 0.00 H new ATOM 858 N ALA A 53 -12.491 6.277 -11.349 1.00 0.00 N ATOM 859 CA ALA A 53 -12.321 6.926 -12.699 1.00 0.00 C ATOM 860 C ALA A 53 -10.944 7.617 -12.803 1.00 0.00 C ATOM 861 O ALA A 53 -10.435 7.801 -13.891 1.00 0.00 O ATOM 862 CB ALA A 53 -13.442 7.969 -12.834 1.00 0.00 C ATOM 0 H ALA A 53 -13.283 6.611 -10.799 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.374 6.181 -13.492 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.361 8.468 -13.800 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.410 7.474 -12.762 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.351 8.706 -12.036 1.00 0.00 H new ATOM 868 N SER A 54 -10.337 8.012 -11.694 1.00 0.00 N ATOM 869 CA SER A 54 -9.000 8.693 -11.775 1.00 0.00 C ATOM 870 C SER A 54 -7.866 7.733 -11.384 1.00 0.00 C ATOM 871 O SER A 54 -6.854 7.673 -12.057 1.00 0.00 O ATOM 872 CB SER A 54 -9.071 9.859 -10.784 1.00 0.00 C ATOM 873 OG SER A 54 -10.116 10.743 -11.170 1.00 0.00 O ATOM 0 H SER A 54 -10.708 7.892 -10.752 1.00 0.00 H new ATOM 0 HA SER A 54 -8.790 9.030 -12.790 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.250 9.484 -9.776 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.120 10.390 -10.762 1.00 0.00 H new ATOM 0 HG SER A 54 -10.164 11.489 -10.536 1.00 0.00 H new ATOM 879 N LEU A 55 -8.014 6.983 -10.308 1.00 0.00 N ATOM 880 CA LEU A 55 -6.907 6.037 -9.907 1.00 0.00 C ATOM 881 C LEU A 55 -6.591 5.065 -11.057 1.00 0.00 C ATOM 882 O LEU A 55 -5.451 4.683 -11.247 1.00 0.00 O ATOM 883 CB LEU A 55 -7.404 5.264 -8.675 1.00 0.00 C ATOM 884 CG LEU A 55 -7.041 6.045 -7.409 1.00 0.00 C ATOM 885 CD1 LEU A 55 -8.223 6.921 -6.993 1.00 0.00 C ATOM 886 CD2 LEU A 55 -6.710 5.067 -6.280 1.00 0.00 C ATOM 0 H LEU A 55 -8.834 6.982 -9.701 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.992 6.584 -9.680 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.483 5.121 -8.732 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.952 4.272 -8.647 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.174 6.675 -7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.964 7.477 -6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.458 7.620 -7.796 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.090 6.291 -6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.452 5.625 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.576 4.436 -6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.866 4.443 -6.575 1.00 0.00 H new ATOM 898 N LEU A 56 -7.581 4.668 -11.835 1.00 0.00 N ATOM 899 CA LEU A 56 -7.312 3.733 -12.967 1.00 0.00 C ATOM 900 C LEU A 56 -7.607 4.423 -14.309 1.00 0.00 C ATOM 901 O LEU A 56 -8.103 3.799 -15.229 1.00 0.00 O ATOM 902 CB LEU A 56 -8.266 2.554 -12.745 1.00 0.00 C ATOM 903 CG LEU A 56 -8.010 1.464 -13.801 1.00 0.00 C ATOM 904 CD1 LEU A 56 -7.798 0.113 -13.112 1.00 0.00 C ATOM 905 CD2 LEU A 56 -9.214 1.362 -14.746 1.00 0.00 C ATOM 0 H LEU A 56 -8.555 4.953 -11.730 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.271 3.413 -12.999 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.124 2.144 -11.745 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.299 2.895 -12.806 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.119 1.728 -14.371 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.617 -0.655 -13.864 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.939 0.176 -12.444 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.687 -0.145 -12.536 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.027 0.589 -15.491 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.105 1.106 -14.173 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.366 2.319 -15.246 1.00 0.00 H new ATOM 917 N ASN A 57 -7.308 5.702 -14.442 1.00 0.00 N ATOM 918 CA ASN A 57 -7.585 6.392 -15.740 1.00 0.00 C ATOM 919 C ASN A 57 -6.331 6.386 -16.625 1.00 0.00 C ATOM 920 O ASN A 57 -5.303 6.897 -16.225 1.00 0.00 O ATOM 921 CB ASN A 57 -7.968 7.836 -15.379 1.00 0.00 C ATOM 922 CG ASN A 57 -9.141 8.293 -16.256 1.00 0.00 C ATOM 923 OD1 ASN A 57 -10.045 7.525 -16.522 1.00 0.00 O ATOM 924 ND2 ASN A 57 -9.171 9.518 -16.724 1.00 0.00 N ATOM 0 H ASN A 57 -6.891 6.285 -13.716 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.379 5.892 -16.295 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.243 7.897 -14.326 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -7.113 8.497 -15.524 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -9.950 9.822 -17.308 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.415 10.167 -16.504 1.00 0.00 H new ATOM 931 N PRO A 58 -6.451 5.849 -17.829 1.00 0.00 N ATOM 932 CA PRO A 58 -5.301 5.852 -18.765 1.00 0.00 C ATOM 933 C PRO A 58 -5.176 7.210 -19.511 1.00 0.00 C ATOM 934 O PRO A 58 -4.386 7.331 -20.428 1.00 0.00 O ATOM 935 CB PRO A 58 -5.641 4.740 -19.750 1.00 0.00 C ATOM 936 CG PRO A 58 -7.135 4.621 -19.725 1.00 0.00 C ATOM 937 CD PRO A 58 -7.629 5.191 -18.419 1.00 0.00 C ATOM 0 HA PRO A 58 -4.350 5.705 -18.252 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -5.284 4.981 -20.751 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -5.168 3.802 -19.460 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.574 5.159 -20.565 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.435 3.578 -19.823 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.441 5.901 -18.579 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.014 4.408 -17.766 1.00 0.00 H new ATOM 945 N TYR A 59 -5.935 8.230 -19.135 1.00 0.00 N ATOM 946 CA TYR A 59 -5.837 9.552 -19.832 1.00 0.00 C ATOM 947 C TYR A 59 -4.844 10.486 -19.110 1.00 0.00 C ATOM 948 O TYR A 59 -4.300 11.388 -19.721 1.00 0.00 O ATOM 949 CB TYR A 59 -7.254 10.136 -19.775 1.00 0.00 C ATOM 950 CG TYR A 59 -8.151 9.352 -20.702 1.00 0.00 C ATOM 951 CD1 TYR A 59 -8.700 8.134 -20.280 1.00 0.00 C ATOM 952 CD2 TYR A 59 -8.429 9.838 -21.986 1.00 0.00 C ATOM 953 CE1 TYR A 59 -9.526 7.403 -21.140 1.00 0.00 C ATOM 954 CE2 TYR A 59 -9.256 9.104 -22.847 1.00 0.00 C ATOM 955 CZ TYR A 59 -9.804 7.887 -22.423 1.00 0.00 C ATOM 956 OH TYR A 59 -10.618 7.165 -23.272 1.00 0.00 O ATOM 0 H TYR A 59 -6.615 8.195 -18.375 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.473 9.443 -20.854 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.637 10.093 -18.756 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.239 11.186 -20.066 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.485 7.759 -19.290 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.007 10.777 -22.312 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.949 6.465 -20.814 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.471 9.477 -23.838 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.709 7.643 -24.123 1.00 0.00 H new ATOM 966 N VAL A 60 -4.599 10.294 -17.823 1.00 0.00 N ATOM 967 CA VAL A 60 -3.633 11.203 -17.110 1.00 0.00 C ATOM 968 C VAL A 60 -2.247 10.540 -16.976 1.00 0.00 C ATOM 969 O VAL A 60 -1.587 10.684 -15.965 1.00 0.00 O ATOM 970 CB VAL A 60 -4.244 11.493 -15.721 1.00 0.00 C ATOM 971 CG1 VAL A 60 -5.642 12.088 -15.892 1.00 0.00 C ATOM 972 CG2 VAL A 60 -4.343 10.207 -14.887 1.00 0.00 C ATOM 0 H VAL A 60 -5.018 9.562 -17.249 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.482 12.126 -17.669 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.596 12.199 -15.201 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.073 12.292 -14.912 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.575 13.016 -16.460 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.276 11.380 -16.426 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.776 10.437 -13.914 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.976 9.486 -15.404 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.348 9.784 -14.750 1.00 0.00 H new ATOM 982 N LYS A 61 -1.793 9.823 -17.990 1.00 0.00 N ATOM 983 CA LYS A 61 -0.445 9.166 -17.917 1.00 0.00 C ATOM 984 C LYS A 61 -0.284 8.357 -16.617 1.00 0.00 C ATOM 985 O LYS A 61 -1.217 8.225 -15.847 1.00 0.00 O ATOM 986 CB LYS A 61 0.562 10.319 -17.956 1.00 0.00 C ATOM 987 CG LYS A 61 0.418 11.079 -19.276 1.00 0.00 C ATOM 988 CD LYS A 61 1.665 11.932 -19.512 1.00 0.00 C ATOM 989 CE LYS A 61 1.332 13.066 -20.484 1.00 0.00 C ATOM 990 NZ LYS A 61 2.089 14.244 -19.974 1.00 0.00 N ATOM 0 H LYS A 61 -2.300 9.668 -18.861 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.301 8.460 -18.735 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.392 10.993 -17.116 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.576 9.933 -17.855 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.283 10.377 -20.099 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.469 11.712 -19.249 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.022 12.342 -18.567 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.468 11.316 -19.916 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.631 12.815 -21.502 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.261 13.265 -20.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.912 15.064 -20.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.778 14.464 -19.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.106 14.028 -19.970 1.00 0.00 H new ATOM 1004 N ARG A 62 0.894 7.821 -16.364 1.00 0.00 N ATOM 1005 CA ARG A 62 1.104 7.032 -15.109 1.00 0.00 C ATOM 1006 C ARG A 62 1.936 7.856 -14.111 1.00 0.00 C ATOM 1007 O ARG A 62 1.540 8.033 -12.975 1.00 0.00 O ATOM 1008 CB ARG A 62 1.866 5.771 -15.534 1.00 0.00 C ATOM 1009 CG ARG A 62 1.319 4.562 -14.772 1.00 0.00 C ATOM 1010 CD ARG A 62 1.804 4.607 -13.321 1.00 0.00 C ATOM 1011 NE ARG A 62 3.160 3.993 -13.350 1.00 0.00 N ATOM 1012 CZ ARG A 62 4.188 4.656 -12.895 1.00 0.00 C ATOM 1013 NH1 ARG A 62 4.089 5.331 -11.783 1.00 0.00 N ATOM 1014 NH2 ARG A 62 5.315 4.643 -13.552 1.00 0.00 N ATOM 0 H ARG A 62 1.711 7.898 -16.970 1.00 0.00 H new ATOM 0 HA ARG A 62 0.163 6.780 -14.620 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.762 5.615 -16.608 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.930 5.891 -15.331 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.229 4.563 -14.802 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.650 3.639 -15.248 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.842 5.631 -12.949 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.134 4.053 -12.663 1.00 0.00 H new ATOM 0 HE ARG A 62 3.286 3.053 -13.726 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.208 5.341 -11.269 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.893 5.849 -11.428 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.393 4.115 -14.421 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.119 5.161 -13.197 1.00 0.00 H new ATOM 1028 N SER A 63 3.080 8.369 -14.526 1.00 0.00 N ATOM 1029 CA SER A 63 3.916 9.191 -13.575 1.00 0.00 C ATOM 1030 C SER A 63 3.097 10.391 -13.066 1.00 0.00 C ATOM 1031 O SER A 63 3.166 10.738 -11.902 1.00 0.00 O ATOM 1032 CB SER A 63 5.135 9.686 -14.368 1.00 0.00 C ATOM 1033 OG SER A 63 5.622 10.886 -13.782 1.00 0.00 O ATOM 0 H SER A 63 3.466 8.258 -15.464 1.00 0.00 H new ATOM 0 HA SER A 63 4.225 8.601 -12.712 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.916 8.925 -14.369 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.860 9.861 -15.408 1.00 0.00 H new ATOM 0 HG SER A 63 6.401 11.203 -14.285 1.00 0.00 H new ATOM 1039 N VAL A 64 2.313 11.019 -13.923 1.00 0.00 N ATOM 1040 CA VAL A 64 1.487 12.189 -13.455 1.00 0.00 C ATOM 1041 C VAL A 64 0.497 11.715 -12.376 1.00 0.00 C ATOM 1042 O VAL A 64 0.289 12.390 -11.385 1.00 0.00 O ATOM 1043 CB VAL A 64 0.730 12.721 -14.689 1.00 0.00 C ATOM 1044 CG1 VAL A 64 -0.167 13.895 -14.284 1.00 0.00 C ATOM 1045 CG2 VAL A 64 1.740 13.195 -15.741 1.00 0.00 C ATOM 0 H VAL A 64 2.210 10.777 -14.909 1.00 0.00 H new ATOM 0 HA VAL A 64 2.108 12.973 -13.021 1.00 0.00 H new ATOM 0 HB VAL A 64 0.114 11.923 -15.103 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.699 14.266 -15.160 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.887 13.562 -13.537 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.446 14.694 -13.866 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.207 13.571 -16.614 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.356 13.990 -15.321 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.376 12.361 -16.036 1.00 0.00 H new ATOM 1055 N LYS A 65 -0.112 10.558 -12.556 1.00 0.00 N ATOM 1056 CA LYS A 65 -1.084 10.058 -11.516 1.00 0.00 C ATOM 1057 C LYS A 65 -0.376 9.906 -10.159 1.00 0.00 C ATOM 1058 O LYS A 65 -0.952 10.192 -9.126 1.00 0.00 O ATOM 1059 CB LYS A 65 -1.590 8.690 -12.003 1.00 0.00 C ATOM 1060 CG LYS A 65 -2.659 8.169 -11.039 1.00 0.00 C ATOM 1061 CD LYS A 65 -3.965 8.934 -11.263 1.00 0.00 C ATOM 1062 CE LYS A 65 -4.773 8.955 -9.964 1.00 0.00 C ATOM 1063 NZ LYS A 65 -4.268 10.141 -9.217 1.00 0.00 N ATOM 0 H LYS A 65 0.018 9.947 -13.363 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.910 10.757 -11.384 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.003 8.780 -13.008 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.762 7.984 -12.061 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.818 7.102 -11.198 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.325 8.292 -10.009 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.751 9.952 -11.587 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.544 8.462 -12.056 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.841 9.040 -10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.628 8.038 -9.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.863 10.303 -8.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.287 9.970 -8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.301 10.979 -9.832 1.00 0.00 H new ATOM 1077 N VAL A 66 0.869 9.462 -10.146 1.00 0.00 N ATOM 1078 CA VAL A 66 1.590 9.308 -8.828 1.00 0.00 C ATOM 1079 C VAL A 66 1.650 10.666 -8.104 1.00 0.00 C ATOM 1080 O VAL A 66 1.480 10.734 -6.902 1.00 0.00 O ATOM 1081 CB VAL A 66 3.012 8.807 -9.152 1.00 0.00 C ATOM 1082 CG1 VAL A 66 3.814 8.642 -7.856 1.00 0.00 C ATOM 1083 CG2 VAL A 66 2.928 7.453 -9.862 1.00 0.00 C ATOM 0 H VAL A 66 1.408 9.204 -10.973 1.00 0.00 H new ATOM 0 HA VAL A 66 1.074 8.605 -8.174 1.00 0.00 H new ATOM 0 HB VAL A 66 3.506 9.534 -9.797 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.818 8.288 -8.092 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.879 9.602 -7.344 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.317 7.919 -7.210 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.933 7.099 -10.091 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.429 6.733 -9.214 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.362 7.562 -10.787 1.00 0.00 H new ATOM 1093 N LYS A 67 1.886 11.748 -8.824 1.00 0.00 N ATOM 1094 CA LYS A 67 1.943 13.094 -8.144 1.00 0.00 C ATOM 1095 C LYS A 67 0.607 13.384 -7.442 1.00 0.00 C ATOM 1096 O LYS A 67 0.584 13.909 -6.343 1.00 0.00 O ATOM 1097 CB LYS A 67 2.198 14.139 -9.244 1.00 0.00 C ATOM 1098 CG LYS A 67 2.468 15.502 -8.603 1.00 0.00 C ATOM 1099 CD LYS A 67 3.062 16.450 -9.647 1.00 0.00 C ATOM 1100 CE LYS A 67 2.898 17.896 -9.175 1.00 0.00 C ATOM 1101 NZ LYS A 67 1.594 18.339 -9.741 1.00 0.00 N ATOM 0 H LYS A 67 2.039 11.759 -9.832 1.00 0.00 H new ATOM 0 HA LYS A 67 2.731 13.119 -7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.049 13.838 -9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.335 14.202 -9.907 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.543 15.918 -8.204 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.155 15.391 -7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.117 16.224 -9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.563 16.310 -10.606 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.898 17.959 -8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.716 18.523 -9.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.410 19.323 -9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.626 18.275 -10.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.833 17.728 -9.380 1.00 0.00 H new ATOM 1115 N SER A 68 -0.510 13.044 -8.060 1.00 0.00 N ATOM 1116 CA SER A 68 -1.839 13.308 -7.398 1.00 0.00 C ATOM 1117 C SER A 68 -1.913 12.564 -6.054 1.00 0.00 C ATOM 1118 O SER A 68 -2.414 13.093 -5.080 1.00 0.00 O ATOM 1119 CB SER A 68 -2.922 12.784 -8.352 1.00 0.00 C ATOM 1120 OG SER A 68 -3.278 13.812 -9.268 1.00 0.00 O ATOM 0 H SER A 68 -0.559 12.603 -8.978 1.00 0.00 H new ATOM 0 HA SER A 68 -1.975 14.371 -7.200 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.556 11.911 -8.892 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.798 12.465 -7.787 1.00 0.00 H new ATOM 0 HG SER A 68 -3.968 13.480 -9.880 1.00 0.00 H new ATOM 1126 N LEU A 69 -1.417 11.342 -5.988 1.00 0.00 N ATOM 1127 CA LEU A 69 -1.470 10.586 -4.684 1.00 0.00 C ATOM 1128 C LEU A 69 -0.679 11.350 -3.612 1.00 0.00 C ATOM 1129 O LEU A 69 -1.142 11.516 -2.499 1.00 0.00 O ATOM 1130 CB LEU A 69 -0.832 9.212 -4.938 1.00 0.00 C ATOM 1131 CG LEU A 69 -1.841 8.303 -5.641 1.00 0.00 C ATOM 1132 CD1 LEU A 69 -1.101 7.330 -6.559 1.00 0.00 C ATOM 1133 CD2 LEU A 69 -2.632 7.515 -4.595 1.00 0.00 C ATOM 0 H LEU A 69 -0.985 10.843 -6.766 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.495 10.475 -4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.063 9.322 -5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.519 8.765 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.525 8.911 -6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.821 6.683 -7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.537 7.891 -7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.416 6.722 -5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.352 6.867 -5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.947 6.908 -4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.161 8.208 -3.941 1.00 0.00 H new ATOM 1145 N SER A 70 0.509 11.826 -3.935 1.00 0.00 N ATOM 1146 CA SER A 70 1.313 12.589 -2.911 1.00 0.00 C ATOM 1147 C SER A 70 0.519 13.819 -2.439 1.00 0.00 C ATOM 1148 O SER A 70 0.497 14.129 -1.262 1.00 0.00 O ATOM 1149 CB SER A 70 2.611 13.033 -3.602 1.00 0.00 C ATOM 1150 OG SER A 70 3.375 13.824 -2.701 1.00 0.00 O ATOM 0 H SER A 70 0.952 11.722 -4.848 1.00 0.00 H new ATOM 0 HA SER A 70 1.529 11.971 -2.040 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.186 12.162 -3.917 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.381 13.605 -4.501 1.00 0.00 H new ATOM 0 HG SER A 70 4.205 14.108 -3.138 1.00 0.00 H new ATOM 1156 N ASP A 71 -0.143 14.516 -3.343 1.00 0.00 N ATOM 1157 CA ASP A 71 -0.945 15.721 -2.914 1.00 0.00 C ATOM 1158 C ASP A 71 -2.130 15.308 -2.018 1.00 0.00 C ATOM 1159 O ASP A 71 -2.626 16.115 -1.252 1.00 0.00 O ATOM 1160 CB ASP A 71 -1.459 16.393 -4.197 1.00 0.00 C ATOM 1161 CG ASP A 71 -1.549 17.905 -3.981 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -0.544 18.571 -4.166 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -2.622 18.371 -3.634 1.00 0.00 O ATOM 0 H ASP A 71 -0.164 14.309 -4.342 1.00 0.00 H new ATOM 0 HA ASP A 71 -0.325 16.402 -2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.789 16.173 -5.029 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.438 15.994 -4.462 1.00 0.00 H new ATOM 1168 N MET A 72 -2.573 14.064 -2.068 1.00 0.00 N ATOM 1169 CA MET A 72 -3.699 13.642 -1.169 1.00 0.00 C ATOM 1170 C MET A 72 -3.077 13.191 0.152 1.00 0.00 C ATOM 1171 O MET A 72 -3.511 13.581 1.220 1.00 0.00 O ATOM 1172 CB MET A 72 -4.411 12.475 -1.869 1.00 0.00 C ATOM 1173 CG MET A 72 -5.629 12.052 -1.047 1.00 0.00 C ATOM 1174 SD MET A 72 -6.315 10.523 -1.727 1.00 0.00 S ATOM 1175 CE MET A 72 -5.055 9.399 -1.077 1.00 0.00 C ATOM 0 H MET A 72 -2.208 13.337 -2.683 1.00 0.00 H new ATOM 0 HA MET A 72 -4.414 14.441 -0.973 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.721 12.773 -2.871 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.727 11.634 -1.984 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.344 11.904 -0.005 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.383 12.839 -1.062 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.776 8.681 -1.848 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.176 9.971 -0.779 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.453 8.867 -0.213 1.00 0.00 H new ATOM 1185 N THR A 73 -2.025 12.398 0.083 1.00 0.00 N ATOM 1186 CA THR A 73 -1.328 11.952 1.338 1.00 0.00 C ATOM 1187 C THR A 73 -0.910 13.202 2.155 1.00 0.00 C ATOM 1188 O THR A 73 -0.969 13.194 3.371 1.00 0.00 O ATOM 1189 CB THR A 73 -0.105 11.123 0.853 1.00 0.00 C ATOM 1190 OG1 THR A 73 -0.513 9.782 0.629 1.00 0.00 O ATOM 1191 CG2 THR A 73 1.031 11.132 1.876 1.00 0.00 C ATOM 0 H THR A 73 -1.622 12.043 -0.784 1.00 0.00 H new ATOM 0 HA THR A 73 -1.955 11.349 1.994 1.00 0.00 H new ATOM 0 HB THR A 73 0.265 11.576 -0.067 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.288 9.578 1.192 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.866 10.541 1.498 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.360 12.157 2.046 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.679 10.704 2.814 1.00 0.00 H new ATOM 1199 N ALA A 74 -0.499 14.280 1.500 1.00 0.00 N ATOM 1200 CA ALA A 74 -0.100 15.514 2.273 1.00 0.00 C ATOM 1201 C ALA A 74 -1.276 15.988 3.144 1.00 0.00 C ATOM 1202 O ALA A 74 -1.089 16.388 4.278 1.00 0.00 O ATOM 1203 CB ALA A 74 0.257 16.593 1.238 1.00 0.00 C ATOM 0 H ALA A 74 -0.425 14.356 0.486 1.00 0.00 H new ATOM 0 HA ALA A 74 0.745 15.309 2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.553 17.507 1.753 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.082 16.243 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.610 16.795 0.609 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.492 15.928 2.632 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.674 16.361 3.456 1.00 0.00 C ATOM 1211 C LYS A 75 -4.199 15.173 4.286 1.00 0.00 C ATOM 1212 O LYS A 75 -4.650 15.351 5.401 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.745 16.835 2.463 1.00 0.00 C ATOM 1214 CG LYS A 75 -4.234 18.064 1.709 1.00 0.00 C ATOM 1215 CD LYS A 75 -5.335 18.594 0.789 1.00 0.00 C ATOM 1216 CE LYS A 75 -4.725 19.537 -0.250 1.00 0.00 C ATOM 1217 NZ LYS A 75 -4.488 18.686 -1.448 1.00 0.00 N ATOM 0 H LYS A 75 -2.713 15.602 1.691 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.406 17.156 4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.983 16.037 1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.666 17.077 2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.932 18.837 2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.351 17.804 1.125 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.838 17.765 0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.090 19.120 1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.400 20.362 -0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.796 19.976 0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.785 19.142 -2.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.134 17.755 -1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.379 18.566 -1.970 1.00 0.00 H new ATOM 1231 N GLU A 76 -4.136 13.961 3.759 1.00 0.00 N ATOM 1232 CA GLU A 76 -4.630 12.775 4.550 1.00 0.00 C ATOM 1233 C GLU A 76 -3.821 12.589 5.851 1.00 0.00 C ATOM 1234 O GLU A 76 -4.280 11.933 6.768 1.00 0.00 O ATOM 1235 CB GLU A 76 -4.459 11.540 3.650 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.489 10.478 4.039 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.800 10.741 3.296 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.262 11.870 3.332 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -7.319 9.810 2.703 1.00 0.00 O ATOM 0 H GLU A 76 -3.770 13.745 2.832 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.671 12.924 4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.586 11.819 2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.451 11.139 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.113 9.485 3.794 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.659 10.498 5.116 1.00 0.00 H new ATOM 1246 N LYS A 77 -2.618 13.141 5.954 1.00 0.00 N ATOM 1247 CA LYS A 77 -1.804 12.965 7.203 1.00 0.00 C ATOM 1248 C LYS A 77 -1.493 11.476 7.407 1.00 0.00 C ATOM 1249 O LYS A 77 -1.641 10.951 8.494 1.00 0.00 O ATOM 1250 CB LYS A 77 -2.656 13.508 8.360 1.00 0.00 C ATOM 1251 CG LYS A 77 -1.741 13.929 9.512 1.00 0.00 C ATOM 1252 CD LYS A 77 -2.388 15.080 10.284 1.00 0.00 C ATOM 1253 CE LYS A 77 -1.564 15.383 11.537 1.00 0.00 C ATOM 1254 NZ LYS A 77 -2.158 16.630 12.097 1.00 0.00 N ATOM 0 H LYS A 77 -2.174 13.701 5.226 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.854 13.496 7.145 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.248 14.358 8.022 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.358 12.746 8.698 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.565 13.084 10.178 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.770 14.237 9.125 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.448 15.966 9.653 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.409 14.817 10.562 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.619 14.563 12.253 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.511 15.523 11.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.645 16.902 12.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.085 17.395 11.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.159 16.465 12.327 1.00 0.00 H new ATOM 1268 N PHE A 78 -1.063 10.788 6.364 1.00 0.00 N ATOM 1269 CA PHE A 78 -0.742 9.320 6.511 1.00 0.00 C ATOM 1270 C PHE A 78 0.292 9.106 7.626 1.00 0.00 C ATOM 1271 O PHE A 78 0.651 10.035 8.328 1.00 0.00 O ATOM 1272 CB PHE A 78 -0.192 8.842 5.153 1.00 0.00 C ATOM 1273 CG PHE A 78 -1.319 8.207 4.369 1.00 0.00 C ATOM 1274 CD1 PHE A 78 -2.031 7.140 4.927 1.00 0.00 C ATOM 1275 CD2 PHE A 78 -1.659 8.689 3.101 1.00 0.00 C ATOM 1276 CE1 PHE A 78 -3.085 6.551 4.217 1.00 0.00 C ATOM 1277 CE2 PHE A 78 -2.714 8.100 2.389 1.00 0.00 C ATOM 1278 CZ PHE A 78 -3.426 7.031 2.948 1.00 0.00 C ATOM 0 H PHE A 78 -0.922 11.173 5.430 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.631 8.752 6.785 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.228 9.682 4.599 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.615 8.124 5.304 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.768 6.770 5.907 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.110 9.514 2.671 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.634 5.727 4.649 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.978 8.471 1.409 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.238 6.577 2.399 1.00 0.00 H new ATOM 1288 N SER A 79 0.770 7.894 7.805 1.00 0.00 N ATOM 1289 CA SER A 79 1.764 7.637 8.882 1.00 0.00 C ATOM 1290 C SER A 79 3.137 7.391 8.254 1.00 0.00 C ATOM 1291 O SER A 79 3.293 7.563 7.060 1.00 0.00 O ATOM 1292 CB SER A 79 1.246 6.392 9.613 1.00 0.00 C ATOM 1293 OG SER A 79 -0.156 6.276 9.422 1.00 0.00 O ATOM 0 H SER A 79 0.511 7.078 7.250 1.00 0.00 H new ATOM 0 HA SER A 79 1.877 8.474 9.571 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.749 5.501 9.237 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.474 6.461 10.677 1.00 0.00 H new ATOM 0 HG SER A 79 -0.537 5.713 10.128 1.00 0.00 H new ATOM 1299 N PRO A 80 4.104 6.999 9.059 1.00 0.00 N ATOM 1300 CA PRO A 80 5.451 6.748 8.508 1.00 0.00 C ATOM 1301 C PRO A 80 5.519 5.429 7.712 1.00 0.00 C ATOM 1302 O PRO A 80 6.514 5.168 7.061 1.00 0.00 O ATOM 1303 CB PRO A 80 6.343 6.703 9.735 1.00 0.00 C ATOM 1304 CG PRO A 80 5.451 6.319 10.869 1.00 0.00 C ATOM 1305 CD PRO A 80 4.054 6.753 10.514 1.00 0.00 C ATOM 0 HA PRO A 80 5.752 7.515 7.794 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.148 5.979 9.608 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.810 7.671 9.915 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.487 5.243 11.037 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.778 6.797 11.792 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.324 5.983 10.762 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.767 7.652 11.059 1.00 0.00 H new ATOM 1313 N LEU A 81 4.482 4.608 7.720 1.00 0.00 N ATOM 1314 CA LEU A 81 4.535 3.354 6.925 1.00 0.00 C ATOM 1315 C LEU A 81 3.447 3.367 5.844 1.00 0.00 C ATOM 1316 O LEU A 81 3.065 2.323 5.349 1.00 0.00 O ATOM 1317 CB LEU A 81 4.269 2.233 7.922 1.00 0.00 C ATOM 1318 CG LEU A 81 5.588 1.833 8.588 1.00 0.00 C ATOM 1319 CD1 LEU A 81 5.326 1.386 10.027 1.00 0.00 C ATOM 1320 CD2 LEU A 81 6.226 0.682 7.805 1.00 0.00 C ATOM 0 H LEU A 81 3.618 4.761 8.240 1.00 0.00 H new ATOM 0 HA LEU A 81 5.493 3.232 6.420 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.552 2.561 8.675 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.828 1.375 7.415 1.00 0.00 H new ATOM 0 HG LEU A 81 6.262 2.689 8.594 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.268 1.102 10.497 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.874 2.205 10.586 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.649 0.531 10.025 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.165 0.396 8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.549 -0.172 7.798 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.418 1.001 6.781 1.00 0.00 H new ATOM 1332 N THR A 82 2.937 4.528 5.465 1.00 0.00 N ATOM 1333 CA THR A 82 1.883 4.552 4.423 1.00 0.00 C ATOM 1334 C THR A 82 2.179 5.587 3.317 1.00 0.00 C ATOM 1335 O THR A 82 1.293 5.952 2.567 1.00 0.00 O ATOM 1336 CB THR A 82 0.586 4.868 5.174 1.00 0.00 C ATOM 1337 OG1 THR A 82 0.645 4.280 6.469 1.00 0.00 O ATOM 1338 CG2 THR A 82 -0.583 4.257 4.398 1.00 0.00 C ATOM 0 H THR A 82 3.210 5.438 5.835 1.00 0.00 H new ATOM 0 HA THR A 82 1.821 3.600 3.896 1.00 0.00 H new ATOM 0 HB THR A 82 0.454 5.946 5.267 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.122 4.820 7.098 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.517 4.472 4.918 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.619 4.686 3.396 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.448 3.178 4.326 1.00 0.00 H new ATOM 1346 N SER A 83 3.419 6.021 3.163 1.00 0.00 N ATOM 1347 CA SER A 83 3.749 6.968 2.058 1.00 0.00 C ATOM 1348 C SER A 83 4.862 6.323 1.225 1.00 0.00 C ATOM 1349 O SER A 83 5.872 6.921 0.910 1.00 0.00 O ATOM 1350 CB SER A 83 4.211 8.263 2.724 1.00 0.00 C ATOM 1351 OG SER A 83 3.609 9.371 2.065 1.00 0.00 O ATOM 0 H SER A 83 4.205 5.756 3.756 1.00 0.00 H new ATOM 0 HA SER A 83 2.908 7.184 1.399 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.938 8.260 3.779 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.297 8.343 2.676 1.00 0.00 H new ATOM 0 HG SER A 83 3.902 10.204 2.491 1.00 0.00 H new ATOM 1357 N ASN A 84 4.646 5.083 0.876 1.00 0.00 N ATOM 1358 CA ASN A 84 5.623 4.295 0.058 1.00 0.00 C ATOM 1359 C ASN A 84 4.827 3.149 -0.574 1.00 0.00 C ATOM 1360 O ASN A 84 4.717 3.043 -1.780 1.00 0.00 O ATOM 1361 CB ASN A 84 6.660 3.768 1.052 1.00 0.00 C ATOM 1362 CG ASN A 84 8.061 3.876 0.438 1.00 0.00 C ATOM 1363 OD1 ASN A 84 8.659 2.876 0.093 1.00 0.00 O ATOM 1364 ND2 ASN A 84 8.618 5.053 0.283 1.00 0.00 N ATOM 0 H ASN A 84 3.806 4.564 1.131 1.00 0.00 H new ATOM 0 HA ASN A 84 6.119 4.864 -0.728 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.613 4.339 1.979 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.442 2.731 1.305 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.550 5.126 -0.126 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.120 5.895 0.571 1.00 0.00 H new ATOM 1371 N LEU A 85 4.189 2.337 0.259 1.00 0.00 N ATOM 1372 CA LEU A 85 3.305 1.258 -0.285 1.00 0.00 C ATOM 1373 C LEU A 85 2.244 1.904 -1.208 1.00 0.00 C ATOM 1374 O LEU A 85 1.787 1.278 -2.147 1.00 0.00 O ATOM 1375 CB LEU A 85 2.631 0.585 0.935 1.00 0.00 C ATOM 1376 CG LEU A 85 1.626 -0.475 0.468 1.00 0.00 C ATOM 1377 CD1 LEU A 85 2.360 -1.580 -0.295 1.00 0.00 C ATOM 1378 CD2 LEU A 85 0.923 -1.081 1.686 1.00 0.00 C ATOM 0 H LEU A 85 4.247 2.381 1.276 1.00 0.00 H new ATOM 0 HA LEU A 85 3.860 0.522 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.388 0.124 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.123 1.337 1.539 1.00 0.00 H new ATOM 0 HG LEU A 85 0.889 -0.010 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.643 -2.332 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.862 -1.151 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.098 -2.045 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.208 -1.835 1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.662 -1.544 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.397 -0.296 2.230 1.00 0.00 H new ATOM 1390 N ILE A 86 1.858 3.163 -0.971 1.00 0.00 N ATOM 1391 CA ILE A 86 0.848 3.795 -1.886 1.00 0.00 C ATOM 1392 C ILE A 86 1.469 3.949 -3.287 1.00 0.00 C ATOM 1393 O ILE A 86 0.813 3.709 -4.284 1.00 0.00 O ATOM 1394 CB ILE A 86 0.477 5.170 -1.287 1.00 0.00 C ATOM 1395 CG1 ILE A 86 -0.258 4.943 0.044 1.00 0.00 C ATOM 1396 CG2 ILE A 86 -0.433 5.944 -2.263 1.00 0.00 C ATOM 1397 CD1 ILE A 86 -0.655 6.287 0.663 1.00 0.00 C ATOM 0 H ILE A 86 2.193 3.750 -0.207 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.049 3.183 -1.980 1.00 0.00 H new ATOM 0 HB ILE A 86 1.381 5.755 -1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.146 4.334 -0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.383 4.392 0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.689 6.912 -1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.091 6.094 -3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.345 5.373 -2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.175 6.114 1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.240 6.882 0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.313 6.823 -0.021 1.00 0.00 H new ATOM 1409 N ASN A 87 2.731 4.335 -3.375 1.00 0.00 N ATOM 1410 CA ASN A 87 3.372 4.483 -4.734 1.00 0.00 C ATOM 1411 C ASN A 87 3.288 3.147 -5.490 1.00 0.00 C ATOM 1412 O ASN A 87 2.820 3.097 -6.610 1.00 0.00 O ATOM 1413 CB ASN A 87 4.843 4.862 -4.493 1.00 0.00 C ATOM 1414 CG ASN A 87 4.916 6.258 -3.864 1.00 0.00 C ATOM 1415 OD1 ASN A 87 4.137 7.127 -4.205 1.00 0.00 O ATOM 1416 ND2 ASN A 87 5.823 6.520 -2.955 1.00 0.00 N ATOM 0 H ASN A 87 3.334 4.550 -2.581 1.00 0.00 H new ATOM 0 HA ASN A 87 2.868 5.244 -5.330 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.315 4.131 -3.837 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.392 4.847 -5.434 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.873 7.449 -2.537 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.479 5.795 -2.665 1.00 0.00 H new ATOM 1423 N LEU A 88 3.717 2.057 -4.877 1.00 0.00 N ATOM 1424 CA LEU A 88 3.635 0.717 -5.572 1.00 0.00 C ATOM 1425 C LEU A 88 2.195 0.472 -6.052 1.00 0.00 C ATOM 1426 O LEU A 88 1.978 -0.021 -7.143 1.00 0.00 O ATOM 1427 CB LEU A 88 4.024 -0.347 -4.533 1.00 0.00 C ATOM 1428 CG LEU A 88 5.525 -0.626 -4.617 1.00 0.00 C ATOM 1429 CD1 LEU A 88 6.051 -1.000 -3.230 1.00 0.00 C ATOM 1430 CD2 LEU A 88 5.773 -1.785 -5.585 1.00 0.00 C ATOM 0 H LEU A 88 4.115 2.036 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 88 4.296 0.680 -6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.764 -0.003 -3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.463 -1.265 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 88 6.042 0.264 -4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.121 -1.199 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.872 -0.176 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.535 -1.891 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.843 -1.985 -5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.257 -2.676 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.396 -1.521 -6.573 1.00 0.00 H new ATOM 1442 N LEU A 89 1.207 0.829 -5.251 1.00 0.00 N ATOM 1443 CA LEU A 89 -0.219 0.621 -5.691 1.00 0.00 C ATOM 1444 C LEU A 89 -0.468 1.381 -7.001 1.00 0.00 C ATOM 1445 O LEU A 89 -1.127 0.882 -7.894 1.00 0.00 O ATOM 1446 CB LEU A 89 -1.116 1.172 -4.574 1.00 0.00 C ATOM 1447 CG LEU A 89 -1.430 0.048 -3.588 1.00 0.00 C ATOM 1448 CD1 LEU A 89 -2.070 0.636 -2.327 1.00 0.00 C ATOM 1449 CD2 LEU A 89 -2.398 -0.939 -4.242 1.00 0.00 C ATOM 0 H LEU A 89 1.324 1.248 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.431 -0.433 -5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.617 1.994 -4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.038 1.572 -4.995 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.509 -0.468 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.294 -0.167 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.380 1.342 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.992 1.152 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.625 -1.743 -3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.319 -0.421 -4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.941 -1.357 -5.139 1.00 0.00 H new ATOM 1461 N ALA A 90 0.073 2.576 -7.136 1.00 0.00 N ATOM 1462 CA ALA A 90 -0.118 3.338 -8.407 1.00 0.00 C ATOM 1463 C ALA A 90 1.195 3.358 -9.215 1.00 0.00 C ATOM 1464 O ALA A 90 1.448 4.291 -9.952 1.00 0.00 O ATOM 1465 CB ALA A 90 -0.510 4.755 -7.980 1.00 0.00 C ATOM 0 H ALA A 90 0.632 3.047 -6.425 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.879 2.887 -9.044 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.666 5.372 -8.865 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.430 4.718 -7.396 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.287 5.186 -7.374 1.00 0.00 H new ATOM 1471 N GLU A 91 2.033 2.340 -9.088 1.00 0.00 N ATOM 1472 CA GLU A 91 3.317 2.333 -9.866 1.00 0.00 C ATOM 1473 C GLU A 91 3.218 1.371 -11.062 1.00 0.00 C ATOM 1474 O GLU A 91 3.582 1.722 -12.168 1.00 0.00 O ATOM 1475 CB GLU A 91 4.399 1.861 -8.884 1.00 0.00 C ATOM 1476 CG GLU A 91 5.762 1.863 -9.581 1.00 0.00 C ATOM 1477 CD GLU A 91 6.780 1.121 -8.713 1.00 0.00 C ATOM 1478 OE1 GLU A 91 6.826 1.391 -7.525 1.00 0.00 O ATOM 1479 OE2 GLU A 91 7.496 0.294 -9.252 1.00 0.00 O ATOM 0 H GLU A 91 1.881 1.529 -8.488 1.00 0.00 H new ATOM 0 HA GLU A 91 3.545 3.319 -10.270 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.424 2.515 -8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.165 0.859 -8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.684 1.385 -10.557 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.093 2.887 -9.753 1.00 0.00 H new ATOM 1486 N ASN A 92 2.737 0.160 -10.857 1.00 0.00 N ATOM 1487 CA ASN A 92 2.635 -0.802 -11.999 1.00 0.00 C ATOM 1488 C ASN A 92 1.174 -1.225 -12.244 1.00 0.00 C ATOM 1489 O ASN A 92 0.919 -2.340 -12.662 1.00 0.00 O ATOM 1490 CB ASN A 92 3.473 -2.008 -11.572 1.00 0.00 C ATOM 1491 CG ASN A 92 4.929 -1.801 -12.009 1.00 0.00 C ATOM 1492 OD1 ASN A 92 5.195 -1.584 -13.175 1.00 0.00 O ATOM 1493 ND2 ASN A 92 5.892 -1.855 -11.122 1.00 0.00 N ATOM 0 H ASN A 92 2.415 -0.196 -9.957 1.00 0.00 H new ATOM 0 HA ASN A 92 2.986 -0.358 -12.931 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.421 -2.135 -10.491 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.074 -2.918 -12.020 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.860 -1.715 -11.411 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.673 -2.037 -10.142 1.00 0.00 H new ATOM 1500 N GLY A 93 0.212 -0.357 -11.994 1.00 0.00 N ATOM 1501 CA GLY A 93 -1.211 -0.735 -12.223 1.00 0.00 C ATOM 1502 C GLY A 93 -1.674 -1.643 -11.080 1.00 0.00 C ATOM 1503 O GLY A 93 -2.262 -2.684 -11.312 1.00 0.00 O ATOM 0 H GLY A 93 0.359 0.590 -11.643 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.835 0.158 -12.272 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.315 -1.249 -13.178 1.00 0.00 H new ATOM 1507 N ARG A 94 -1.410 -1.264 -9.846 1.00 0.00 N ATOM 1508 CA ARG A 94 -1.842 -2.127 -8.700 1.00 0.00 C ATOM 1509 C ARG A 94 -3.173 -1.631 -8.106 1.00 0.00 C ATOM 1510 O ARG A 94 -3.972 -2.428 -7.649 1.00 0.00 O ATOM 1511 CB ARG A 94 -0.718 -2.054 -7.659 1.00 0.00 C ATOM 1512 CG ARG A 94 0.232 -3.238 -7.847 1.00 0.00 C ATOM 1513 CD ARG A 94 -0.412 -4.506 -7.283 1.00 0.00 C ATOM 1514 NE ARG A 94 0.500 -5.612 -7.686 1.00 0.00 N ATOM 1515 CZ ARG A 94 0.146 -6.439 -8.631 1.00 0.00 C ATOM 1516 NH1 ARG A 94 -0.401 -5.983 -9.726 1.00 0.00 N ATOM 1517 NH2 ARG A 94 0.338 -7.720 -8.482 1.00 0.00 N ATOM 0 H ARG A 94 -0.921 -0.407 -9.589 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.012 -3.153 -9.025 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.172 -1.116 -7.763 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.138 -2.068 -6.653 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.458 -3.372 -8.905 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.178 -3.042 -7.342 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.510 -4.450 -6.199 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.414 -4.653 -7.687 1.00 0.00 H new ATOM 0 HE ARG A 94 1.402 -5.723 -7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.551 -4.981 -9.842 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.678 -6.629 -10.465 1.00 0.00 H new ATOM 0 HH21 ARG A 94 0.765 -8.076 -7.627 1.00 0.00 H new ATOM 0 HH22 ARG A 94 0.061 -8.367 -9.221 1.00 0.00 H new ATOM 1531 N LEU A 95 -3.438 -0.330 -8.107 1.00 0.00 N ATOM 1532 CA LEU A 95 -4.751 0.163 -7.533 1.00 0.00 C ATOM 1533 C LEU A 95 -5.916 -0.569 -8.218 1.00 0.00 C ATOM 1534 O LEU A 95 -6.337 -0.233 -9.307 1.00 0.00 O ATOM 1535 CB LEU A 95 -4.823 1.677 -7.795 1.00 0.00 C ATOM 1536 CG LEU A 95 -3.867 2.403 -6.844 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -3.739 3.869 -7.266 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -4.412 2.334 -5.415 1.00 0.00 C ATOM 0 H LEU A 95 -2.819 0.394 -8.471 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.817 -0.034 -6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.557 1.891 -8.830 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.842 2.035 -7.647 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.888 1.924 -6.884 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.058 4.385 -6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.349 3.922 -8.282 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.719 4.345 -7.228 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.730 2.851 -4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.392 2.810 -5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.503 1.291 -5.110 1.00 0.00 H new ATOM 1550 N THR A 96 -6.415 -1.587 -7.563 1.00 0.00 N ATOM 1551 CA THR A 96 -7.547 -2.416 -8.114 1.00 0.00 C ATOM 1552 C THR A 96 -7.878 -3.504 -7.086 1.00 0.00 C ATOM 1553 O THR A 96 -9.007 -3.645 -6.655 1.00 0.00 O ATOM 1554 CB THR A 96 -7.022 -3.048 -9.411 1.00 0.00 C ATOM 1555 OG1 THR A 96 -5.602 -2.985 -9.433 1.00 0.00 O ATOM 1556 CG2 THR A 96 -7.587 -2.292 -10.614 1.00 0.00 C ATOM 0 H THR A 96 -6.082 -1.890 -6.648 1.00 0.00 H new ATOM 0 HA THR A 96 -8.445 -1.831 -8.310 1.00 0.00 H new ATOM 0 HB THR A 96 -7.337 -4.090 -9.458 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.251 -3.208 -8.546 1.00 0.00 H new ATOM 0 HG21 THR A 96 -7.214 -2.741 -11.534 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.676 -2.346 -10.599 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.275 -1.249 -10.567 1.00 0.00 H new ATOM 1564 N ASN A 97 -6.866 -4.224 -6.633 1.00 0.00 N ATOM 1565 CA ASN A 97 -7.090 -5.241 -5.569 1.00 0.00 C ATOM 1566 C ASN A 97 -6.676 -4.648 -4.197 1.00 0.00 C ATOM 1567 O ASN A 97 -6.375 -5.387 -3.281 1.00 0.00 O ATOM 1568 CB ASN A 97 -6.194 -6.432 -5.934 1.00 0.00 C ATOM 1569 CG ASN A 97 -6.880 -7.274 -7.017 1.00 0.00 C ATOM 1570 OD1 ASN A 97 -7.712 -8.105 -6.713 1.00 0.00 O ATOM 1571 ND2 ASN A 97 -6.566 -7.098 -8.277 1.00 0.00 N ATOM 0 H ASN A 97 -5.903 -4.143 -6.960 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.135 -5.543 -5.498 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.227 -6.078 -6.292 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.003 -7.042 -5.051 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.020 -7.658 -8.999 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.868 -6.401 -8.536 1.00 0.00 H new ATOM 1578 N THR A 98 -6.653 -3.314 -4.050 1.00 0.00 N ATOM 1579 CA THR A 98 -6.256 -2.671 -2.736 1.00 0.00 C ATOM 1580 C THR A 98 -6.803 -3.428 -1.509 1.00 0.00 C ATOM 1581 O THR A 98 -6.042 -3.752 -0.618 1.00 0.00 O ATOM 1582 CB THR A 98 -6.838 -1.249 -2.772 1.00 0.00 C ATOM 1583 OG1 THR A 98 -7.980 -1.227 -3.616 1.00 0.00 O ATOM 1584 CG2 THR A 98 -5.786 -0.276 -3.310 1.00 0.00 C ATOM 0 H THR A 98 -6.894 -2.653 -4.789 1.00 0.00 H new ATOM 0 HA THR A 98 -5.171 -2.682 -2.633 1.00 0.00 H new ATOM 0 HB THR A 98 -7.124 -0.949 -1.764 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.069 -0.340 -4.023 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.201 0.732 -3.335 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.910 -0.292 -2.661 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.497 -0.574 -4.318 1.00 0.00 H new ATOM 1592 N PRO A 99 -8.094 -3.701 -1.482 1.00 0.00 N ATOM 1593 CA PRO A 99 -8.670 -4.437 -0.325 1.00 0.00 C ATOM 1594 C PRO A 99 -8.037 -5.834 -0.218 1.00 0.00 C ATOM 1595 O PRO A 99 -7.758 -6.301 0.871 1.00 0.00 O ATOM 1596 CB PRO A 99 -10.167 -4.494 -0.637 1.00 0.00 C ATOM 1597 CG PRO A 99 -10.244 -4.329 -2.117 1.00 0.00 C ATOM 1598 CD PRO A 99 -9.129 -3.386 -2.482 1.00 0.00 C ATOM 0 HA PRO A 99 -8.481 -3.961 0.637 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.603 -5.441 -0.320 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.711 -3.703 -0.120 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.128 -5.287 -2.624 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -11.211 -3.925 -2.416 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.774 -3.554 -3.499 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -9.445 -2.344 -2.423 1.00 0.00 H new ATOM 1606 N ALA A 100 -7.771 -6.492 -1.331 1.00 0.00 N ATOM 1607 CA ALA A 100 -7.110 -7.846 -1.250 1.00 0.00 C ATOM 1608 C ALA A 100 -5.724 -7.686 -0.596 1.00 0.00 C ATOM 1609 O ALA A 100 -5.311 -8.512 0.196 1.00 0.00 O ATOM 1610 CB ALA A 100 -6.963 -8.359 -2.691 1.00 0.00 C ATOM 0 H ALA A 100 -7.977 -6.160 -2.273 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.695 -8.547 -0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.488 -9.340 -2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.948 -8.438 -3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.349 -7.664 -3.264 1.00 0.00 H new ATOM 1616 N VAL A 101 -5.008 -6.618 -0.907 1.00 0.00 N ATOM 1617 CA VAL A 101 -3.654 -6.411 -0.274 1.00 0.00 C ATOM 1618 C VAL A 101 -3.803 -6.142 1.239 1.00 0.00 C ATOM 1619 O VAL A 101 -2.923 -6.473 2.012 1.00 0.00 O ATOM 1620 CB VAL A 101 -3.020 -5.185 -0.965 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -1.631 -4.916 -0.377 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -2.882 -5.454 -2.463 1.00 0.00 C ATOM 0 H VAL A 101 -5.298 -5.892 -1.562 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.032 -7.298 -0.394 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.660 -4.318 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.189 -4.050 -0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.720 -4.720 0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.994 -5.787 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.434 -4.587 -2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.247 -6.326 -2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.867 -5.641 -2.891 1.00 0.00 H new ATOM 1632 N ILE A 102 -4.899 -5.544 1.674 1.00 0.00 N ATOM 1633 CA ILE A 102 -5.061 -5.266 3.146 1.00 0.00 C ATOM 1634 C ILE A 102 -5.478 -6.549 3.890 1.00 0.00 C ATOM 1635 O ILE A 102 -5.056 -6.775 5.008 1.00 0.00 O ATOM 1636 CB ILE A 102 -6.154 -4.187 3.276 1.00 0.00 C ATOM 1637 CG1 ILE A 102 -5.726 -2.934 2.503 1.00 0.00 C ATOM 1638 CG2 ILE A 102 -6.355 -3.825 4.753 1.00 0.00 C ATOM 1639 CD1 ILE A 102 -6.866 -1.912 2.512 1.00 0.00 C ATOM 0 H ILE A 102 -5.674 -5.242 1.084 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.124 -4.925 3.586 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.089 -4.572 2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.833 -2.502 2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -5.468 -3.197 1.477 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -7.129 -3.062 4.839 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.658 -4.713 5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.421 -3.442 5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.561 -1.022 1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -7.747 -2.346 2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -7.103 -1.640 3.541 1.00 0.00 H new ATOM 1651 N SER A 103 -6.298 -7.395 3.290 1.00 0.00 N ATOM 1652 CA SER A 103 -6.715 -8.660 4.005 1.00 0.00 C ATOM 1653 C SER A 103 -5.470 -9.483 4.361 1.00 0.00 C ATOM 1654 O SER A 103 -5.330 -9.943 5.479 1.00 0.00 O ATOM 1655 CB SER A 103 -7.614 -9.445 3.038 1.00 0.00 C ATOM 1656 OG SER A 103 -8.346 -10.423 3.768 1.00 0.00 O ATOM 0 H SER A 103 -6.690 -7.270 2.357 1.00 0.00 H new ATOM 0 HA SER A 103 -7.248 -8.436 4.929 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.298 -8.767 2.528 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.009 -9.925 2.269 1.00 0.00 H new ATOM 0 HG SER A 103 -8.922 -10.925 3.155 1.00 0.00 H new ATOM 1662 N ALA A 104 -4.550 -9.651 3.431 1.00 0.00 N ATOM 1663 CA ALA A 104 -3.299 -10.428 3.758 1.00 0.00 C ATOM 1664 C ALA A 104 -2.566 -9.756 4.936 1.00 0.00 C ATOM 1665 O ALA A 104 -1.950 -10.422 5.746 1.00 0.00 O ATOM 1666 CB ALA A 104 -2.418 -10.404 2.500 1.00 0.00 C ATOM 0 H ALA A 104 -4.607 -9.292 2.478 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.532 -11.453 4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.498 -10.956 2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -2.954 -10.866 1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.176 -9.372 2.245 1.00 0.00 H new ATOM 1672 N PHE A 105 -2.633 -8.437 5.048 1.00 0.00 N ATOM 1673 CA PHE A 105 -1.939 -7.737 6.193 1.00 0.00 C ATOM 1674 C PHE A 105 -2.411 -8.324 7.528 1.00 0.00 C ATOM 1675 O PHE A 105 -1.616 -8.544 8.425 1.00 0.00 O ATOM 1676 CB PHE A 105 -2.351 -6.258 6.105 1.00 0.00 C ATOM 1677 CG PHE A 105 -1.320 -5.389 6.780 1.00 0.00 C ATOM 1678 CD1 PHE A 105 -1.389 -5.151 8.156 1.00 0.00 C ATOM 1679 CD2 PHE A 105 -0.301 -4.808 6.024 1.00 0.00 C ATOM 1680 CE1 PHE A 105 -0.436 -4.335 8.770 1.00 0.00 C ATOM 1681 CE2 PHE A 105 0.649 -3.993 6.637 1.00 0.00 C ATOM 1682 CZ PHE A 105 0.584 -3.758 8.011 1.00 0.00 C ATOM 0 H PHE A 105 -3.132 -7.824 4.404 1.00 0.00 H new ATOM 0 HA PHE A 105 -0.857 -7.858 6.135 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -2.457 -5.964 5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.323 -6.115 6.577 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -2.178 -5.597 8.743 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -0.248 -4.990 4.961 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.488 -4.150 9.833 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.435 -3.543 6.049 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.322 -3.130 8.487 1.00 0.00 H new ATOM 1692 N SER A 106 -3.694 -8.587 7.669 1.00 0.00 N ATOM 1693 CA SER A 106 -4.187 -9.172 8.965 1.00 0.00 C ATOM 1694 C SER A 106 -3.707 -10.624 9.096 1.00 0.00 C ATOM 1695 O SER A 106 -3.353 -11.062 10.175 1.00 0.00 O ATOM 1696 CB SER A 106 -5.721 -9.113 8.928 1.00 0.00 C ATOM 1697 OG SER A 106 -6.248 -10.046 9.863 1.00 0.00 O ATOM 0 H SER A 106 -4.408 -8.426 6.959 1.00 0.00 H new ATOM 0 HA SER A 106 -3.803 -8.617 9.821 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.064 -8.107 9.168 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.082 -9.342 7.925 1.00 0.00 H new ATOM 0 HG SER A 106 -7.227 -10.011 9.844 1.00 0.00 H new ATOM 1703 N THR A 107 -3.675 -11.375 8.011 1.00 0.00 N ATOM 1704 CA THR A 107 -3.195 -12.796 8.111 1.00 0.00 C ATOM 1705 C THR A 107 -1.674 -12.822 8.283 1.00 0.00 C ATOM 1706 O THR A 107 -1.154 -13.639 9.021 1.00 0.00 O ATOM 1707 CB THR A 107 -3.602 -13.501 6.805 1.00 0.00 C ATOM 1708 OG1 THR A 107 -4.859 -13.000 6.371 1.00 0.00 O ATOM 1709 CG2 THR A 107 -3.707 -15.007 7.047 1.00 0.00 C ATOM 0 H THR A 107 -3.955 -11.071 7.079 1.00 0.00 H new ATOM 0 HA THR A 107 -3.634 -13.300 8.972 1.00 0.00 H new ATOM 0 HB THR A 107 -2.850 -13.311 6.039 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.119 -13.446 5.538 1.00 0.00 H new ATOM 0 HG21 THR A 107 -3.995 -15.505 6.121 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.742 -15.390 7.380 1.00 0.00 H new ATOM 0 HG23 THR A 107 -4.458 -15.201 7.813 1.00 0.00 H new ATOM 1717 N MET A 108 -0.947 -11.929 7.636 1.00 0.00 N ATOM 1718 CA MET A 108 0.541 -11.932 7.823 1.00 0.00 C ATOM 1719 C MET A 108 0.879 -11.332 9.193 1.00 0.00 C ATOM 1720 O MET A 108 1.799 -11.779 9.852 1.00 0.00 O ATOM 1721 CB MET A 108 1.140 -11.081 6.698 1.00 0.00 C ATOM 1722 CG MET A 108 0.790 -11.703 5.343 1.00 0.00 C ATOM 1723 SD MET A 108 1.615 -13.307 5.175 1.00 0.00 S ATOM 1724 CE MET A 108 0.185 -14.341 5.575 1.00 0.00 C ATOM 0 H MET A 108 -1.312 -11.217 7.003 1.00 0.00 H new ATOM 0 HA MET A 108 0.947 -12.943 7.786 1.00 0.00 H new ATOM 0 HB2 MET A 108 0.754 -10.063 6.753 1.00 0.00 H new ATOM 0 HB3 MET A 108 2.222 -11.018 6.812 1.00 0.00 H new ATOM 0 HG2 MET A 108 -0.289 -11.828 5.257 1.00 0.00 H new ATOM 0 HG3 MET A 108 1.099 -11.038 4.536 1.00 0.00 H new ATOM 0 HE1 MET A 108 0.080 -15.123 4.823 1.00 0.00 H new ATOM 0 HE2 MET A 108 0.328 -14.796 6.555 1.00 0.00 H new ATOM 0 HE3 MET A 108 -0.716 -13.727 5.588 1.00 0.00 H new ATOM 1734 N MET A 109 0.133 -10.336 9.647 1.00 0.00 N ATOM 1735 CA MET A 109 0.433 -9.747 10.999 1.00 0.00 C ATOM 1736 C MET A 109 0.326 -10.845 12.070 1.00 0.00 C ATOM 1737 O MET A 109 1.109 -10.875 12.992 1.00 0.00 O ATOM 1738 CB MET A 109 -0.617 -8.653 11.255 1.00 0.00 C ATOM 1739 CG MET A 109 -0.321 -7.963 12.588 1.00 0.00 C ATOM 1740 SD MET A 109 -1.461 -6.575 12.816 1.00 0.00 S ATOM 1741 CE MET A 109 -1.630 -6.714 14.612 1.00 0.00 C ATOM 0 H MET A 109 -0.652 -9.916 9.149 1.00 0.00 H new ATOM 0 HA MET A 109 1.439 -9.330 11.036 1.00 0.00 H new ATOM 0 HB2 MET A 109 -0.603 -7.924 10.445 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.616 -9.090 11.273 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.427 -8.673 13.408 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.709 -7.608 12.605 1.00 0.00 H new ATOM 0 HE1 MET A 109 -2.304 -5.938 14.975 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.035 -7.694 14.865 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.653 -6.594 15.080 1.00 0.00 H new ATOM 1751 N SER A 110 -0.613 -11.767 11.959 1.00 0.00 N ATOM 1752 CA SER A 110 -0.697 -12.855 13.009 1.00 0.00 C ATOM 1753 C SER A 110 0.642 -13.604 13.119 1.00 0.00 C ATOM 1754 O SER A 110 1.022 -14.029 14.195 1.00 0.00 O ATOM 1755 CB SER A 110 -1.812 -13.815 12.571 1.00 0.00 C ATOM 1756 OG SER A 110 -3.012 -13.081 12.369 1.00 0.00 O ATOM 0 H SER A 110 -1.306 -11.817 11.212 1.00 0.00 H new ATOM 0 HA SER A 110 -0.913 -12.430 13.989 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.526 -14.327 11.652 1.00 0.00 H new ATOM 0 HB3 SER A 110 -1.965 -14.583 13.329 1.00 0.00 H new ATOM 0 HG SER A 110 -3.725 -13.691 12.088 1.00 0.00 H new ATOM 1762 N VAL A 111 1.376 -13.755 12.033 1.00 0.00 N ATOM 1763 CA VAL A 111 2.701 -14.465 12.128 1.00 0.00 C ATOM 1764 C VAL A 111 3.795 -13.530 12.691 1.00 0.00 C ATOM 1765 O VAL A 111 4.892 -13.981 12.970 1.00 0.00 O ATOM 1766 CB VAL A 111 3.061 -14.920 10.702 1.00 0.00 C ATOM 1767 CG1 VAL A 111 4.384 -15.692 10.725 1.00 0.00 C ATOM 1768 CG2 VAL A 111 1.954 -15.830 10.159 1.00 0.00 C ATOM 0 H VAL A 111 1.121 -13.424 11.102 1.00 0.00 H new ATOM 0 HA VAL A 111 2.633 -15.314 12.808 1.00 0.00 H new ATOM 0 HB VAL A 111 3.162 -14.044 10.061 1.00 0.00 H new ATOM 0 HG11 VAL A 111 4.636 -16.013 9.714 1.00 0.00 H new ATOM 0 HG12 VAL A 111 5.175 -15.047 11.109 1.00 0.00 H new ATOM 0 HG13 VAL A 111 4.284 -16.566 11.368 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.210 -16.152 9.149 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.852 -16.703 10.803 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.011 -15.283 10.138 1.00 0.00 H new ATOM 1778 N HIS A 112 3.520 -12.250 12.895 1.00 0.00 N ATOM 1779 CA HIS A 112 4.561 -11.356 13.469 1.00 0.00 C ATOM 1780 C HIS A 112 4.504 -11.441 15.014 1.00 0.00 C ATOM 1781 O HIS A 112 5.505 -11.243 15.678 1.00 0.00 O ATOM 1782 CB HIS A 112 4.254 -9.944 12.889 1.00 0.00 C ATOM 1783 CG HIS A 112 3.599 -9.028 13.893 1.00 0.00 C ATOM 1784 ND1 HIS A 112 2.337 -9.251 14.415 1.00 0.00 N ATOM 1785 CD2 HIS A 112 4.042 -7.887 14.473 1.00 0.00 C ATOM 1786 CE1 HIS A 112 2.075 -8.258 15.278 1.00 0.00 C ATOM 1787 NE2 HIS A 112 3.085 -7.393 15.354 1.00 0.00 N ATOM 0 H HIS A 112 2.627 -11.803 12.687 1.00 0.00 H new ATOM 0 HA HIS A 112 5.583 -11.631 13.207 1.00 0.00 H new ATOM 0 HB2 HIS A 112 5.182 -9.490 12.541 1.00 0.00 H new ATOM 0 HB3 HIS A 112 3.604 -10.047 12.020 1.00 0.00 H new ATOM 0 HD1 HIS A 112 1.719 -10.029 14.185 1.00 0.00 H new ATOM 0 HD2 HIS A 112 5.000 -7.427 14.280 1.00 0.00 H new ATOM 0 HE1 HIS A 112 1.158 -8.171 15.842 1.00 0.00 H new ATOM 1795 N ARG A 113 3.351 -11.762 15.595 1.00 0.00 N ATOM 1796 CA ARG A 113 3.293 -11.879 17.094 1.00 0.00 C ATOM 1797 C ARG A 113 4.237 -13.000 17.557 1.00 0.00 C ATOM 1798 O ARG A 113 4.840 -12.907 18.611 1.00 0.00 O ATOM 1799 CB ARG A 113 1.840 -12.223 17.461 1.00 0.00 C ATOM 1800 CG ARG A 113 1.515 -11.659 18.846 1.00 0.00 C ATOM 1801 CD ARG A 113 0.933 -10.252 18.700 1.00 0.00 C ATOM 1802 NE ARG A 113 0.088 -10.059 19.911 1.00 0.00 N ATOM 1803 CZ ARG A 113 0.380 -9.120 20.768 1.00 0.00 C ATOM 1804 NH1 ARG A 113 0.484 -7.881 20.369 1.00 0.00 N ATOM 1805 NH2 ARG A 113 0.568 -9.417 22.025 1.00 0.00 N ATOM 0 H ARG A 113 2.475 -11.942 15.105 1.00 0.00 H new ATOM 0 HA ARG A 113 3.602 -10.952 17.577 1.00 0.00 H new ATOM 0 HB2 ARG A 113 1.158 -11.808 16.719 1.00 0.00 H new ATOM 0 HB3 ARG A 113 1.698 -13.304 17.455 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.803 -12.307 19.357 1.00 0.00 H new ATOM 0 HG3 ARG A 113 2.416 -11.630 19.459 1.00 0.00 H new ATOM 0 HD2 ARG A 113 1.722 -9.502 18.645 1.00 0.00 H new ATOM 0 HD3 ARG A 113 0.343 -10.161 17.788 1.00 0.00 H new ATOM 0 HE ARG A 113 -0.720 -10.661 20.070 1.00 0.00 H new ATOM 0 HH11 ARG A 113 0.337 -7.647 19.387 1.00 0.00 H new ATOM 0 HH12 ARG A 113 0.712 -7.147 21.039 1.00 0.00 H new ATOM 0 HH21 ARG A 113 0.487 -10.384 22.338 1.00 0.00 H new ATOM 0 HH22 ARG A 113 0.796 -8.682 22.694 1.00 0.00 H new ATOM 1819 N GLY A 114 4.374 -14.065 16.785 1.00 0.00 N ATOM 1820 CA GLY A 114 5.277 -15.178 17.196 1.00 0.00 C ATOM 1821 C GLY A 114 4.554 -16.507 16.967 1.00 0.00 C ATOM 1822 O GLY A 114 4.253 -17.222 17.905 1.00 0.00 O ATOM 0 H GLY A 114 3.897 -14.201 15.894 1.00 0.00 H new ATOM 0 HA2 GLY A 114 6.202 -15.147 16.620 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.552 -15.073 18.246 1.00 0.00 H new ATOM 2000 N GLU B 7 8.544 -9.829 -6.227 1.00 0.00 N ATOM 2001 CA GLU B 7 8.675 -9.276 -4.838 1.00 0.00 C ATOM 2002 C GLU B 7 9.330 -7.888 -4.887 1.00 0.00 C ATOM 2003 O GLU B 7 10.255 -7.609 -4.147 1.00 0.00 O ATOM 2004 CB GLU B 7 9.559 -10.268 -4.073 1.00 0.00 C ATOM 2005 CG GLU B 7 9.042 -10.415 -2.640 1.00 0.00 C ATOM 2006 CD GLU B 7 8.096 -11.615 -2.559 1.00 0.00 C ATOM 2007 OE1 GLU B 7 7.082 -11.593 -3.236 1.00 0.00 O ATOM 2008 OE2 GLU B 7 8.403 -12.537 -1.820 1.00 0.00 O ATOM 0 HA GLU B 7 7.706 -9.158 -4.353 1.00 0.00 H new ATOM 0 HB2 GLU B 7 9.554 -11.236 -4.573 1.00 0.00 H new ATOM 0 HB3 GLU B 7 10.592 -9.919 -4.064 1.00 0.00 H new ATOM 0 HG2 GLU B 7 9.877 -10.550 -1.953 1.00 0.00 H new ATOM 0 HG3 GLU B 7 8.522 -9.507 -2.335 1.00 0.00 H new ATOM 2015 N VAL B 8 8.857 -7.014 -5.755 1.00 0.00 N ATOM 2016 CA VAL B 8 9.471 -5.638 -5.835 1.00 0.00 C ATOM 2017 C VAL B 8 9.323 -4.930 -4.479 1.00 0.00 C ATOM 2018 O VAL B 8 10.240 -4.277 -4.017 1.00 0.00 O ATOM 2019 CB VAL B 8 8.715 -4.867 -6.934 1.00 0.00 C ATOM 2020 CG1 VAL B 8 9.301 -3.457 -7.075 1.00 0.00 C ATOM 2021 CG2 VAL B 8 8.858 -5.611 -8.265 1.00 0.00 C ATOM 0 H VAL B 8 8.087 -7.188 -6.401 1.00 0.00 H new ATOM 0 HA VAL B 8 10.534 -5.691 -6.072 1.00 0.00 H new ATOM 0 HB VAL B 8 7.662 -4.794 -6.664 1.00 0.00 H new ATOM 0 HG11 VAL B 8 8.763 -2.916 -7.853 1.00 0.00 H new ATOM 0 HG12 VAL B 8 9.202 -2.925 -6.129 1.00 0.00 H new ATOM 0 HG13 VAL B 8 10.355 -3.526 -7.343 1.00 0.00 H new ATOM 0 HG21 VAL B 8 8.324 -5.068 -9.045 1.00 0.00 H new ATOM 0 HG22 VAL B 8 9.913 -5.683 -8.530 1.00 0.00 H new ATOM 0 HG23 VAL B 8 8.439 -6.613 -8.169 1.00 0.00 H new ATOM 2031 N SER B 9 8.184 -5.060 -3.827 1.00 0.00 N ATOM 2032 CA SER B 9 8.015 -4.390 -2.486 1.00 0.00 C ATOM 2033 C SER B 9 9.102 -4.884 -1.512 1.00 0.00 C ATOM 2034 O SER B 9 9.573 -4.133 -0.680 1.00 0.00 O ATOM 2035 CB SER B 9 6.623 -4.778 -1.966 1.00 0.00 C ATOM 2036 OG SER B 9 6.379 -4.109 -0.735 1.00 0.00 O ATOM 0 H SER B 9 7.377 -5.590 -4.157 1.00 0.00 H new ATOM 0 HA SER B 9 8.110 -3.308 -2.573 1.00 0.00 H new ATOM 0 HB2 SER B 9 5.861 -4.509 -2.697 1.00 0.00 H new ATOM 0 HB3 SER B 9 6.562 -5.857 -1.825 1.00 0.00 H new ATOM 0 HG SER B 9 5.506 -3.666 -0.771 1.00 0.00 H new ATOM 2042 N SER B 10 9.511 -6.138 -1.610 1.00 0.00 N ATOM 2043 CA SER B 10 10.579 -6.645 -0.679 1.00 0.00 C ATOM 2044 C SER B 10 11.902 -5.928 -0.971 1.00 0.00 C ATOM 2045 O SER B 10 12.496 -5.338 -0.087 1.00 0.00 O ATOM 2046 CB SER B 10 10.721 -8.150 -0.949 1.00 0.00 C ATOM 2047 OG SER B 10 11.806 -8.664 -0.190 1.00 0.00 O ATOM 0 H SER B 10 9.157 -6.819 -2.282 1.00 0.00 H new ATOM 0 HA SER B 10 10.319 -6.459 0.363 1.00 0.00 H new ATOM 0 HB2 SER B 10 9.799 -8.667 -0.683 1.00 0.00 H new ATOM 0 HB3 SER B 10 10.890 -8.326 -2.011 1.00 0.00 H new ATOM 0 HG SER B 10 11.898 -9.625 -0.360 1.00 0.00 H new ATOM 2053 N ILE B 11 12.371 -5.964 -2.204 1.00 0.00 N ATOM 2054 CA ILE B 11 13.667 -5.260 -2.521 1.00 0.00 C ATOM 2055 C ILE B 11 13.541 -3.754 -2.218 1.00 0.00 C ATOM 2056 O ILE B 11 14.505 -3.124 -1.824 1.00 0.00 O ATOM 2057 CB ILE B 11 13.966 -5.503 -4.017 1.00 0.00 C ATOM 2058 CG1 ILE B 11 15.320 -4.882 -4.370 1.00 0.00 C ATOM 2059 CG2 ILE B 11 12.880 -4.874 -4.893 1.00 0.00 C ATOM 2060 CD1 ILE B 11 15.816 -5.466 -5.694 1.00 0.00 C ATOM 0 H ILE B 11 11.925 -6.439 -2.989 1.00 0.00 H new ATOM 0 HA ILE B 11 14.482 -5.645 -1.908 1.00 0.00 H new ATOM 0 HB ILE B 11 13.987 -6.577 -4.200 1.00 0.00 H new ATOM 0 HG12 ILE B 11 15.226 -3.799 -4.450 1.00 0.00 H new ATOM 0 HG13 ILE B 11 16.042 -5.082 -3.578 1.00 0.00 H new ATOM 0 HG21 ILE B 11 13.109 -5.056 -5.943 1.00 0.00 H new ATOM 0 HG22 ILE B 11 11.914 -5.317 -4.650 1.00 0.00 H new ATOM 0 HG23 ILE B 11 12.842 -3.800 -4.711 1.00 0.00 H new ATOM 0 HD11 ILE B 11 16.780 -5.025 -5.948 1.00 0.00 H new ATOM 0 HD12 ILE B 11 15.925 -6.546 -5.597 1.00 0.00 H new ATOM 0 HD13 ILE B 11 15.097 -5.243 -6.482 1.00 0.00 H new ATOM 2072 N LEU B 12 12.366 -3.168 -2.382 1.00 0.00 N ATOM 2073 CA LEU B 12 12.220 -1.700 -2.076 1.00 0.00 C ATOM 2074 C LEU B 12 12.401 -1.462 -0.568 1.00 0.00 C ATOM 2075 O LEU B 12 12.994 -0.478 -0.165 1.00 0.00 O ATOM 2076 CB LEU B 12 10.804 -1.291 -2.513 1.00 0.00 C ATOM 2077 CG LEU B 12 10.759 0.220 -2.747 1.00 0.00 C ATOM 2078 CD1 LEU B 12 9.480 0.582 -3.503 1.00 0.00 C ATOM 2079 CD2 LEU B 12 10.776 0.945 -1.399 1.00 0.00 C ATOM 0 H LEU B 12 11.519 -3.634 -2.708 1.00 0.00 H new ATOM 0 HA LEU B 12 12.972 -1.111 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU B 12 10.527 -1.819 -3.425 1.00 0.00 H new ATOM 0 HB3 LEU B 12 10.080 -1.573 -1.748 1.00 0.00 H new ATOM 0 HG LEU B 12 11.626 0.522 -3.334 1.00 0.00 H new ATOM 0 HD11 LEU B 12 9.448 1.659 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU B 12 9.466 0.066 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU B 12 8.613 0.280 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU B 12 10.744 2.022 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU B 12 9.909 0.642 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU B 12 11.687 0.688 -0.859 1.00 0.00 H new ATOM 2091 N GLU B 13 11.901 -2.351 0.273 1.00 0.00 N ATOM 2092 CA GLU B 13 12.066 -2.143 1.759 1.00 0.00 C ATOM 2093 C GLU B 13 13.560 -2.080 2.117 1.00 0.00 C ATOM 2094 O GLU B 13 13.966 -1.277 2.936 1.00 0.00 O ATOM 2095 CB GLU B 13 11.407 -3.346 2.452 1.00 0.00 C ATOM 2096 CG GLU B 13 11.334 -3.090 3.959 1.00 0.00 C ATOM 2097 CD GLU B 13 11.521 -4.408 4.713 1.00 0.00 C ATOM 2098 OE1 GLU B 13 11.072 -5.425 4.210 1.00 0.00 O ATOM 2099 OE2 GLU B 13 12.111 -4.379 5.781 1.00 0.00 O ATOM 0 H GLU B 13 11.396 -3.195 0.002 1.00 0.00 H new ATOM 0 HA GLU B 13 11.605 -1.208 2.078 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.406 -3.507 2.051 1.00 0.00 H new ATOM 0 HB3 GLU B 13 11.980 -4.252 2.254 1.00 0.00 H new ATOM 0 HG2 GLU B 13 12.104 -2.378 4.255 1.00 0.00 H new ATOM 0 HG3 GLU B 13 10.373 -2.645 4.216 1.00 0.00 H new ATOM 2106 N GLU B 14 14.384 -2.916 1.513 1.00 0.00 N ATOM 2107 CA GLU B 14 15.855 -2.875 1.841 1.00 0.00 C ATOM 2108 C GLU B 14 16.430 -1.495 1.485 1.00 0.00 C ATOM 2109 O GLU B 14 17.228 -0.947 2.221 1.00 0.00 O ATOM 2110 CB GLU B 14 16.532 -3.965 0.992 1.00 0.00 C ATOM 2111 CG GLU B 14 17.996 -4.104 1.417 1.00 0.00 C ATOM 2112 CD GLU B 14 18.681 -5.163 0.549 1.00 0.00 C ATOM 2113 OE1 GLU B 14 18.367 -5.229 -0.628 1.00 0.00 O ATOM 2114 OE2 GLU B 14 19.506 -5.890 1.078 1.00 0.00 O ATOM 0 H GLU B 14 14.109 -3.612 0.820 1.00 0.00 H new ATOM 0 HA GLU B 14 16.026 -3.047 2.904 1.00 0.00 H new ATOM 0 HB2 GLU B 14 16.013 -4.915 1.119 1.00 0.00 H new ATOM 0 HB3 GLU B 14 16.472 -3.708 -0.065 1.00 0.00 H new ATOM 0 HG2 GLU B 14 18.508 -3.147 1.314 1.00 0.00 H new ATOM 0 HG3 GLU B 14 18.055 -4.386 2.468 1.00 0.00 H new