USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 527 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 THR OG1 : rot 90:sc= 1.1 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= -0.103 USER MOD Single : A 71 THR OG1 : rot 87:sc= 1.15 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.49) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.964 USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0552) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 102 ASN :FLIP amide:sc= -0.0344 F(o=-1.3!,f=-0.034) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 157:sc= -0.388 (180deg=-1.45!) USER MOD Single : A 109 THR OG1 : rot -83:sc= 0.756 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 ASN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 173 N GLU A 12 9.554 35.002 -46.382 1.00 0.00 N ATOM 174 CA GLU A 12 8.454 34.740 -45.462 1.00 0.00 C ATOM 175 C GLU A 12 8.886 33.759 -44.376 1.00 0.00 C ATOM 176 O GLU A 12 8.468 33.868 -43.225 1.00 0.00 O ATOM 177 CB GLU A 12 7.258 34.168 -46.227 1.00 0.00 C ATOM 178 CG GLU A 12 6.381 35.314 -46.735 1.00 0.00 C ATOM 179 CD GLU A 12 7.253 36.407 -47.345 1.00 0.00 C ATOM 180 OE1 GLU A 12 8.240 36.067 -47.975 1.00 0.00 O ATOM 181 OE2 GLU A 12 6.918 37.568 -47.172 1.00 0.00 O ATOM 0 HA GLU A 12 8.166 35.680 -44.991 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.604 33.562 -47.064 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.678 33.512 -45.578 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.677 34.942 -47.479 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.792 35.723 -45.914 1.00 0.00 H new ATOM 188 N ASP A 13 9.729 32.803 -44.754 1.00 0.00 N ATOM 189 CA ASP A 13 10.218 31.807 -43.807 1.00 0.00 C ATOM 190 C ASP A 13 10.827 32.483 -42.582 1.00 0.00 C ATOM 191 O ASP A 13 10.671 32.009 -41.457 1.00 0.00 O ATOM 192 CB ASP A 13 11.268 30.918 -44.475 1.00 0.00 C ATOM 193 CG ASP A 13 11.262 29.534 -43.834 1.00 0.00 C ATOM 194 OD1 ASP A 13 10.831 29.432 -42.698 1.00 0.00 O ATOM 195 OD2 ASP A 13 11.689 28.598 -44.490 1.00 0.00 O ATOM 0 H ASP A 13 10.086 32.697 -45.704 1.00 0.00 H new ATOM 0 HA ASP A 13 9.374 31.195 -43.489 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.061 30.835 -45.542 1.00 0.00 H new ATOM 0 HB3 ASP A 13 12.255 31.370 -44.376 1.00 0.00 H new ATOM 200 N VAL A 14 11.515 33.597 -42.811 1.00 0.00 N ATOM 201 CA VAL A 14 12.141 34.338 -41.722 1.00 0.00 C ATOM 202 C VAL A 14 11.073 35.038 -40.894 1.00 0.00 C ATOM 203 O VAL A 14 11.085 34.981 -39.664 1.00 0.00 O ATOM 204 CB VAL A 14 13.120 35.370 -42.285 1.00 0.00 C ATOM 205 CG1 VAL A 14 13.683 36.218 -41.143 1.00 0.00 C ATOM 206 CG2 VAL A 14 14.267 34.648 -43.000 1.00 0.00 C ATOM 0 H VAL A 14 11.653 34.005 -43.736 1.00 0.00 H new ATOM 0 HA VAL A 14 12.688 33.641 -41.087 1.00 0.00 H new ATOM 0 HB VAL A 14 12.600 36.016 -42.992 1.00 0.00 H new ATOM 0 HG11 VAL A 14 14.380 36.953 -41.545 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.867 36.732 -40.635 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.203 35.574 -40.434 1.00 0.00 H new ATOM 0 HG21 VAL A 14 14.965 35.383 -43.402 1.00 0.00 H new ATOM 0 HG22 VAL A 14 14.787 34.002 -42.293 1.00 0.00 H new ATOM 0 HG23 VAL A 14 13.866 34.045 -43.815 1.00 0.00 H new ATOM 216 N PHE A 15 10.140 35.681 -41.583 1.00 0.00 N ATOM 217 CA PHE A 15 9.048 36.372 -40.917 1.00 0.00 C ATOM 218 C PHE A 15 8.169 35.354 -40.210 1.00 0.00 C ATOM 219 O PHE A 15 7.608 35.627 -39.148 1.00 0.00 O ATOM 220 CB PHE A 15 8.216 37.153 -41.938 1.00 0.00 C ATOM 221 CG PHE A 15 8.653 38.599 -41.947 1.00 0.00 C ATOM 222 CD1 PHE A 15 10.015 38.919 -42.003 1.00 0.00 C ATOM 223 CD2 PHE A 15 7.695 39.619 -41.903 1.00 0.00 C ATOM 224 CE1 PHE A 15 10.418 40.260 -42.013 1.00 0.00 C ATOM 225 CE2 PHE A 15 8.099 40.959 -41.913 1.00 0.00 C ATOM 226 CZ PHE A 15 9.461 41.279 -41.969 1.00 0.00 C ATOM 0 H PHE A 15 10.119 35.738 -42.601 1.00 0.00 H new ATOM 0 HA PHE A 15 9.457 37.073 -40.189 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.339 36.719 -42.930 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.157 37.084 -41.689 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.754 38.132 -42.038 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.644 39.372 -41.861 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.468 40.508 -42.055 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.360 41.746 -41.878 1.00 0.00 H new ATOM 0 HZ PHE A 15 9.773 42.313 -41.978 1.00 0.00 H new ATOM 236 N ARG A 16 8.065 34.171 -40.808 1.00 0.00 N ATOM 237 CA ARG A 16 7.261 33.103 -40.231 1.00 0.00 C ATOM 238 C ARG A 16 7.950 32.544 -38.991 1.00 0.00 C ATOM 239 O ARG A 16 7.306 32.269 -37.979 1.00 0.00 O ATOM 240 CB ARG A 16 7.058 31.986 -41.256 1.00 0.00 C ATOM 241 CG ARG A 16 5.943 31.054 -40.780 1.00 0.00 C ATOM 242 CD ARG A 16 4.641 31.401 -41.504 1.00 0.00 C ATOM 243 NE ARG A 16 4.532 32.845 -41.681 1.00 0.00 N ATOM 244 CZ ARG A 16 3.822 33.592 -40.840 1.00 0.00 C ATOM 245 NH1 ARG A 16 3.207 33.039 -39.831 1.00 0.00 N ATOM 246 NH2 ARG A 16 3.744 34.882 -41.022 1.00 0.00 N ATOM 0 H ARG A 16 8.525 33.930 -41.686 1.00 0.00 H new ATOM 0 HA ARG A 16 6.289 33.508 -39.949 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.802 32.411 -42.227 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.984 31.426 -41.387 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.214 30.016 -40.975 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.809 31.151 -39.703 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.613 30.905 -42.474 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.789 31.032 -40.933 1.00 0.00 H new ATOM 0 HE ARG A 16 5.009 33.290 -42.465 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.270 32.031 -39.685 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.663 33.614 -39.188 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.227 35.316 -41.808 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.200 35.456 -40.378 1.00 0.00 H new ATOM 260 N ARG A 17 9.268 32.389 -39.078 1.00 0.00 N ATOM 261 CA ARG A 17 10.043 31.873 -37.956 1.00 0.00 C ATOM 262 C ARG A 17 10.003 32.859 -36.794 1.00 0.00 C ATOM 263 O ARG A 17 9.976 32.463 -35.629 1.00 0.00 O ATOM 264 CB ARG A 17 11.494 31.645 -38.386 1.00 0.00 C ATOM 265 CG ARG A 17 12.124 30.554 -37.517 1.00 0.00 C ATOM 266 CD ARG A 17 13.537 30.252 -38.021 1.00 0.00 C ATOM 267 NE ARG A 17 14.520 30.546 -36.983 1.00 0.00 N ATOM 268 CZ ARG A 17 15.039 29.581 -36.228 1.00 0.00 C ATOM 269 NH1 ARG A 17 14.663 28.343 -36.395 1.00 0.00 N ATOM 270 NH2 ARG A 17 15.926 29.875 -35.315 1.00 0.00 N ATOM 0 H ARG A 17 9.818 32.612 -39.908 1.00 0.00 H new ATOM 0 HA ARG A 17 9.609 30.926 -37.635 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.531 31.354 -39.436 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.061 32.571 -38.292 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.159 30.878 -36.477 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.514 29.651 -37.549 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.610 29.205 -38.314 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.748 30.847 -38.910 1.00 0.00 H new ATOM 0 HE ARG A 17 14.815 31.511 -36.833 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.969 28.112 -37.106 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.063 27.606 -35.814 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.219 30.843 -35.182 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.325 29.137 -34.735 1.00 0.00 H new ATOM 284 N ILE A 18 9.997 34.148 -37.124 1.00 0.00 N ATOM 285 CA ILE A 18 9.954 35.190 -36.104 1.00 0.00 C ATOM 286 C ILE A 18 8.553 35.298 -35.508 1.00 0.00 C ATOM 287 O ILE A 18 8.390 35.619 -34.332 1.00 0.00 O ATOM 288 CB ILE A 18 10.358 36.535 -36.711 1.00 0.00 C ATOM 289 CG1 ILE A 18 11.873 36.560 -36.933 1.00 0.00 C ATOM 290 CG2 ILE A 18 9.967 37.664 -35.756 1.00 0.00 C ATOM 291 CD1 ILE A 18 12.262 37.842 -37.673 1.00 0.00 C ATOM 0 H ILE A 18 10.021 34.494 -38.083 1.00 0.00 H new ATOM 0 HA ILE A 18 10.655 34.926 -35.312 1.00 0.00 H new ATOM 0 HB ILE A 18 9.847 36.671 -37.664 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.392 36.509 -35.976 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.181 35.688 -37.509 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.255 38.622 -36.188 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.889 37.648 -35.595 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.478 37.528 -34.803 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.340 37.858 -37.830 1.00 0.00 H new ATOM 0 HD12 ILE A 18 11.754 37.874 -38.637 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.969 38.708 -37.080 1.00 0.00 H new ATOM 303 N PHE A 19 7.550 35.032 -36.336 1.00 0.00 N ATOM 304 CA PHE A 19 6.158 35.101 -35.908 1.00 0.00 C ATOM 305 C PHE A 19 5.827 33.937 -34.986 1.00 0.00 C ATOM 306 O PHE A 19 5.329 34.134 -33.877 1.00 0.00 O ATOM 307 CB PHE A 19 5.234 35.068 -37.128 1.00 0.00 C ATOM 308 CG PHE A 19 4.803 36.475 -37.463 1.00 0.00 C ATOM 309 CD1 PHE A 19 5.719 37.530 -37.364 1.00 0.00 C ATOM 310 CD2 PHE A 19 3.488 36.726 -37.870 1.00 0.00 C ATOM 311 CE1 PHE A 19 5.319 38.835 -37.672 1.00 0.00 C ATOM 312 CE2 PHE A 19 3.088 38.031 -38.177 1.00 0.00 C ATOM 313 CZ PHE A 19 4.004 39.086 -38.078 1.00 0.00 C ATOM 0 H PHE A 19 7.676 34.765 -37.312 1.00 0.00 H new ATOM 0 HA PHE A 19 6.008 36.035 -35.366 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.750 34.621 -37.978 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.362 34.447 -36.922 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.734 37.336 -37.050 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.782 35.912 -37.947 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.025 39.648 -37.596 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.073 38.225 -38.490 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.695 40.093 -38.315 1.00 0.00 H new ATOM 323 N ILE A 20 6.128 32.722 -35.436 1.00 0.00 N ATOM 324 CA ILE A 20 5.874 31.547 -34.619 1.00 0.00 C ATOM 325 C ILE A 20 6.699 31.647 -33.349 1.00 0.00 C ATOM 326 O ILE A 20 6.229 31.332 -32.255 1.00 0.00 O ATOM 327 CB ILE A 20 6.252 30.276 -35.382 1.00 0.00 C ATOM 328 CG1 ILE A 20 5.579 29.069 -34.722 1.00 0.00 C ATOM 329 CG2 ILE A 20 7.770 30.093 -35.347 1.00 0.00 C ATOM 330 CD1 ILE A 20 5.714 27.847 -35.632 1.00 0.00 C ATOM 0 H ILE A 20 6.542 32.530 -36.348 1.00 0.00 H new ATOM 0 HA ILE A 20 4.813 31.499 -34.373 1.00 0.00 H new ATOM 0 HB ILE A 20 5.920 30.360 -36.417 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.039 28.867 -33.754 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.526 29.283 -34.537 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.040 29.188 -35.890 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.251 30.953 -35.813 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.102 30.008 -34.312 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.235 26.988 -35.162 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.234 28.051 -36.589 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.770 27.629 -35.795 1.00 0.00 H new ATOM 342 N THR A 21 7.932 32.113 -33.509 1.00 0.00 N ATOM 343 CA THR A 21 8.828 32.285 -32.380 1.00 0.00 C ATOM 344 C THR A 21 8.380 33.480 -31.551 1.00 0.00 C ATOM 345 O THR A 21 8.440 33.452 -30.322 1.00 0.00 O ATOM 346 CB THR A 21 10.260 32.503 -32.871 1.00 0.00 C ATOM 347 OG1 THR A 21 10.711 31.335 -33.544 1.00 0.00 O ATOM 348 CG2 THR A 21 11.172 32.790 -31.677 1.00 0.00 C ATOM 0 H THR A 21 8.331 32.377 -34.410 1.00 0.00 H new ATOM 0 HA THR A 21 8.801 31.386 -31.764 1.00 0.00 H new ATOM 0 HB THR A 21 10.285 33.350 -33.556 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.487 31.399 -34.496 1.00 0.00 H new ATOM 0 HG21 THR A 21 12.192 32.945 -32.028 1.00 0.00 H new ATOM 0 HG22 THR A 21 10.825 33.686 -31.161 1.00 0.00 H new ATOM 0 HG23 THR A 21 11.149 31.944 -30.990 1.00 0.00 H new ATOM 356 N TYR A 22 7.920 34.529 -32.231 1.00 0.00 N ATOM 357 CA TYR A 22 7.455 35.722 -31.530 1.00 0.00 C ATOM 358 C TYR A 22 6.234 35.379 -30.689 1.00 0.00 C ATOM 359 O TYR A 22 6.126 35.786 -29.533 1.00 0.00 O ATOM 360 CB TYR A 22 7.098 36.820 -32.531 1.00 0.00 C ATOM 361 CG TYR A 22 6.203 37.841 -31.870 1.00 0.00 C ATOM 362 CD1 TYR A 22 6.735 38.746 -30.943 1.00 0.00 C ATOM 363 CD2 TYR A 22 4.841 37.885 -32.189 1.00 0.00 C ATOM 364 CE1 TYR A 22 5.904 39.695 -30.335 1.00 0.00 C ATOM 365 CE2 TYR A 22 4.010 38.834 -31.582 1.00 0.00 C ATOM 366 CZ TYR A 22 4.541 39.740 -30.655 1.00 0.00 C ATOM 367 OH TYR A 22 3.722 40.676 -30.057 1.00 0.00 O ATOM 0 H TYR A 22 7.860 34.577 -33.248 1.00 0.00 H new ATOM 0 HA TYR A 22 8.253 36.083 -30.882 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.005 37.300 -32.897 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.595 36.387 -33.396 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.786 38.712 -30.697 1.00 0.00 H new ATOM 0 HD2 TYR A 22 4.431 37.187 -32.904 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.314 40.392 -29.619 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.959 38.868 -31.829 1.00 0.00 H new ATOM 0 HH TYR A 22 2.807 40.571 -30.391 1.00 0.00 H new ATOM 377 N MET A 23 5.323 34.612 -31.278 1.00 0.00 N ATOM 378 CA MET A 23 4.118 34.198 -30.576 1.00 0.00 C ATOM 379 C MET A 23 4.472 33.166 -29.514 1.00 0.00 C ATOM 380 O MET A 23 3.779 33.034 -28.505 1.00 0.00 O ATOM 381 CB MET A 23 3.113 33.598 -31.562 1.00 0.00 C ATOM 382 CG MET A 23 2.005 34.614 -31.844 1.00 0.00 C ATOM 383 SD MET A 23 0.677 33.813 -32.779 1.00 0.00 S ATOM 384 CE MET A 23 0.425 35.134 -33.989 1.00 0.00 C ATOM 0 H MET A 23 5.397 34.267 -32.235 1.00 0.00 H new ATOM 0 HA MET A 23 3.669 35.070 -30.099 1.00 0.00 H new ATOM 0 HB2 MET A 23 3.616 33.326 -32.490 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.686 32.683 -31.151 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.616 35.013 -30.907 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.404 35.457 -32.408 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.367 34.848 -34.681 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.142 36.051 -33.473 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.348 35.300 -34.544 1.00 0.00 H new ATOM 394 N ASP A 24 5.558 32.436 -29.753 1.00 0.00 N ATOM 395 CA ASP A 24 5.998 31.415 -28.808 1.00 0.00 C ATOM 396 C ASP A 24 6.426 32.054 -27.491 1.00 0.00 C ATOM 397 O ASP A 24 6.089 31.565 -26.413 1.00 0.00 O ATOM 398 CB ASP A 24 7.170 30.626 -29.396 1.00 0.00 C ATOM 399 CG ASP A 24 7.749 29.689 -28.340 1.00 0.00 C ATOM 400 OD1 ASP A 24 7.145 28.658 -28.097 1.00 0.00 O ATOM 401 OD2 ASP A 24 8.785 30.019 -27.789 1.00 0.00 O ATOM 0 H ASP A 24 6.143 32.531 -30.583 1.00 0.00 H new ATOM 0 HA ASP A 24 5.164 30.739 -28.619 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.836 30.052 -30.260 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.941 31.312 -29.748 1.00 0.00 H new ATOM 826 N LEU A 51 7.275 14.107 -1.498 1.00 0.00 N ATOM 827 CA LEU A 51 5.843 14.085 -1.223 1.00 0.00 C ATOM 828 C LEU A 51 5.092 13.414 -2.368 1.00 0.00 C ATOM 829 O LEU A 51 4.195 12.602 -2.143 1.00 0.00 O ATOM 830 CB LEU A 51 5.322 15.512 -1.033 1.00 0.00 C ATOM 831 CG LEU A 51 3.883 15.465 -0.516 1.00 0.00 C ATOM 832 CD1 LEU A 51 3.889 15.474 1.013 1.00 0.00 C ATOM 833 CD2 LEU A 51 3.118 16.685 -1.031 1.00 0.00 C ATOM 0 HA LEU A 51 5.676 13.516 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.955 16.051 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.363 16.054 -1.978 1.00 0.00 H new ATOM 0 HG LEU A 51 3.398 14.555 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.864 15.441 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.435 14.605 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.373 16.383 1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.092 16.653 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.602 17.595 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.113 16.678 -2.121 1.00 0.00 H new ATOM 845 N TYR A 52 5.466 13.758 -3.596 1.00 0.00 N ATOM 846 CA TYR A 52 4.822 13.179 -4.769 1.00 0.00 C ATOM 847 C TYR A 52 5.020 11.667 -4.792 1.00 0.00 C ATOM 848 O TYR A 52 4.102 10.915 -5.116 1.00 0.00 O ATOM 849 CB TYR A 52 5.407 13.793 -6.043 1.00 0.00 C ATOM 850 CG TYR A 52 4.361 13.788 -7.133 1.00 0.00 C ATOM 851 CD1 TYR A 52 3.470 14.861 -7.254 1.00 0.00 C ATOM 852 CD2 TYR A 52 4.283 12.710 -8.023 1.00 0.00 C ATOM 853 CE1 TYR A 52 2.500 14.855 -8.264 1.00 0.00 C ATOM 854 CE2 TYR A 52 3.314 12.705 -9.033 1.00 0.00 C ATOM 855 CZ TYR A 52 2.423 13.778 -9.154 1.00 0.00 C ATOM 856 OH TYR A 52 1.468 13.771 -10.150 1.00 0.00 O ATOM 0 H TYR A 52 6.205 14.429 -3.804 1.00 0.00 H new ATOM 0 HA TYR A 52 3.755 13.395 -4.721 1.00 0.00 H new ATOM 0 HB2 TYR A 52 5.739 14.813 -5.848 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.283 13.228 -6.362 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.531 15.693 -6.568 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.971 11.882 -7.930 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.811 15.682 -8.356 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.254 11.873 -9.719 1.00 0.00 H new ATOM 0 HH TYR A 52 1.554 12.951 -10.680 1.00 0.00 H new ATOM 866 N LEU A 53 6.227 11.231 -4.444 1.00 0.00 N ATOM 867 CA LEU A 53 6.538 9.807 -4.424 1.00 0.00 C ATOM 868 C LEU A 53 5.841 9.125 -3.250 1.00 0.00 C ATOM 869 O LEU A 53 5.375 7.992 -3.365 1.00 0.00 O ATOM 870 CB LEU A 53 8.050 9.604 -4.309 1.00 0.00 C ATOM 871 CG LEU A 53 8.696 9.780 -5.684 1.00 0.00 C ATOM 872 CD1 LEU A 53 10.218 9.768 -5.538 1.00 0.00 C ATOM 873 CD2 LEU A 53 8.263 8.632 -6.598 1.00 0.00 C ATOM 0 H LEU A 53 7.000 11.839 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 53 6.182 9.362 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.471 10.321 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.265 8.609 -3.919 1.00 0.00 H new ATOM 0 HG LEU A 53 8.381 10.730 -6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.679 9.893 -6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.527 10.584 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.535 8.818 -5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.722 8.755 -7.579 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.580 7.683 -6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.178 8.639 -6.702 1.00 0.00 H new ATOM 885 N MET A 54 5.773 9.827 -2.123 1.00 0.00 N ATOM 886 CA MET A 54 5.130 9.284 -0.932 1.00 0.00 C ATOM 887 C MET A 54 3.697 8.857 -1.240 1.00 0.00 C ATOM 888 O MET A 54 3.256 7.784 -0.829 1.00 0.00 O ATOM 889 CB MET A 54 5.123 10.336 0.179 1.00 0.00 C ATOM 890 CG MET A 54 5.053 9.643 1.541 1.00 0.00 C ATOM 891 SD MET A 54 3.974 10.589 2.643 1.00 0.00 S ATOM 892 CE MET A 54 5.152 10.783 4.003 1.00 0.00 C ATOM 0 H MET A 54 6.153 10.767 -2.010 1.00 0.00 H new ATOM 0 HA MET A 54 5.693 8.410 -0.604 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.021 10.950 0.118 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.271 11.004 0.055 1.00 0.00 H new ATOM 0 HG2 MET A 54 4.673 8.628 1.426 1.00 0.00 H new ATOM 0 HG3 MET A 54 6.051 9.563 1.972 1.00 0.00 H new ATOM 0 HE1 MET A 54 4.687 11.350 4.809 1.00 0.00 H new ATOM 0 HE2 MET A 54 5.446 9.801 4.372 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.034 11.316 3.647 1.00 0.00 H new ATOM 902 N VAL A 55 2.975 9.706 -1.964 1.00 0.00 N ATOM 903 CA VAL A 55 1.592 9.411 -2.321 1.00 0.00 C ATOM 904 C VAL A 55 1.520 8.200 -3.245 1.00 0.00 C ATOM 905 O VAL A 55 1.113 7.114 -2.831 1.00 0.00 O ATOM 906 CB VAL A 55 0.964 10.622 -3.012 1.00 0.00 C ATOM 907 CG1 VAL A 55 -0.490 10.310 -3.369 1.00 0.00 C ATOM 908 CG2 VAL A 55 1.011 11.828 -2.071 1.00 0.00 C ATOM 0 H VAL A 55 3.322 10.599 -2.313 1.00 0.00 H new ATOM 0 HA VAL A 55 1.041 9.186 -1.408 1.00 0.00 H new ATOM 0 HB VAL A 55 1.520 10.849 -3.922 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.937 11.174 -3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.524 9.452 -4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.047 10.082 -2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.563 12.691 -2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.456 11.601 -1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.047 12.052 -1.818 1.00 0.00 H new ATOM 918 N MET A 56 1.914 8.394 -4.498 1.00 0.00 N ATOM 919 CA MET A 56 1.887 7.313 -5.476 1.00 0.00 C ATOM 920 C MET A 56 2.264 5.984 -4.827 1.00 0.00 C ATOM 921 O MET A 56 1.438 5.078 -4.719 1.00 0.00 O ATOM 922 CB MET A 56 2.860 7.619 -6.617 1.00 0.00 C ATOM 923 CG MET A 56 2.449 8.923 -7.302 1.00 0.00 C ATOM 924 SD MET A 56 3.867 9.610 -8.193 1.00 0.00 S ATOM 925 CE MET A 56 3.770 8.530 -9.641 1.00 0.00 C ATOM 0 H MET A 56 2.254 9.285 -4.860 1.00 0.00 H new ATOM 0 HA MET A 56 0.874 7.234 -5.870 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.876 7.703 -6.230 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.860 6.801 -7.338 1.00 0.00 H new ATOM 0 HG2 MET A 56 1.626 8.740 -7.993 1.00 0.00 H new ATOM 0 HG3 MET A 56 2.090 9.638 -6.561 1.00 0.00 H new ATOM 0 HE1 MET A 56 4.569 8.783 -10.338 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.877 7.491 -9.328 1.00 0.00 H new ATOM 0 HE3 MET A 56 2.805 8.664 -10.131 1.00 0.00 H new ATOM 935 N ILE A 57 3.518 5.876 -4.398 1.00 0.00 N ATOM 936 CA ILE A 57 3.998 4.651 -3.764 1.00 0.00 C ATOM 937 C ILE A 57 3.097 4.251 -2.599 1.00 0.00 C ATOM 938 O ILE A 57 2.830 3.068 -2.387 1.00 0.00 O ATOM 939 CB ILE A 57 5.426 4.855 -3.256 1.00 0.00 C ATOM 940 CG1 ILE A 57 6.112 3.494 -3.108 1.00 0.00 C ATOM 941 CG2 ILE A 57 5.389 5.556 -1.896 1.00 0.00 C ATOM 942 CD1 ILE A 57 7.089 3.287 -4.266 1.00 0.00 C ATOM 0 H ILE A 57 4.216 6.615 -4.477 1.00 0.00 H new ATOM 0 HA ILE A 57 3.982 3.854 -4.507 1.00 0.00 H new ATOM 0 HB ILE A 57 5.980 5.468 -3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.643 3.444 -2.157 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.367 2.698 -3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.407 5.701 -1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.899 6.524 -1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.835 4.942 -1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.578 2.318 -4.161 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.546 3.319 -5.210 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.841 4.076 -4.253 1.00 0.00 H new ATOM 954 N GLY A 58 2.638 5.242 -1.843 1.00 0.00 N ATOM 955 CA GLY A 58 1.775 4.982 -0.696 1.00 0.00 C ATOM 956 C GLY A 58 0.429 4.408 -1.131 1.00 0.00 C ATOM 957 O GLY A 58 -0.084 3.474 -0.515 1.00 0.00 O ATOM 0 H GLY A 58 2.847 6.228 -2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.268 4.285 -0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.616 5.907 -0.141 1.00 0.00 H new ATOM 961 N MET A 59 -0.142 4.976 -2.188 1.00 0.00 N ATOM 962 CA MET A 59 -1.435 4.513 -2.683 1.00 0.00 C ATOM 963 C MET A 59 -1.325 3.099 -3.251 1.00 0.00 C ATOM 964 O MET A 59 -2.175 2.249 -2.990 1.00 0.00 O ATOM 965 CB MET A 59 -1.949 5.459 -3.769 1.00 0.00 C ATOM 966 CG MET A 59 -3.125 4.806 -4.497 1.00 0.00 C ATOM 967 SD MET A 59 -3.877 6.005 -5.626 1.00 0.00 S ATOM 968 CE MET A 59 -4.010 4.911 -7.062 1.00 0.00 C ATOM 0 H MET A 59 0.264 5.750 -2.714 1.00 0.00 H new ATOM 0 HA MET A 59 -2.134 4.501 -1.847 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.261 6.404 -3.325 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.151 5.687 -4.476 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.783 3.933 -5.052 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.864 4.456 -3.776 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.457 5.455 -7.894 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.017 4.563 -7.348 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.636 4.055 -6.810 1.00 0.00 H new ATOM 978 N PHE A 60 -0.277 2.857 -4.030 1.00 0.00 N ATOM 979 CA PHE A 60 -0.075 1.543 -4.631 1.00 0.00 C ATOM 980 C PHE A 60 0.313 0.519 -3.570 1.00 0.00 C ATOM 981 O PHE A 60 -0.229 -0.586 -3.534 1.00 0.00 O ATOM 982 CB PHE A 60 1.022 1.619 -5.696 1.00 0.00 C ATOM 983 CG PHE A 60 0.583 0.862 -6.927 1.00 0.00 C ATOM 984 CD1 PHE A 60 -0.490 1.336 -7.693 1.00 0.00 C ATOM 985 CD2 PHE A 60 1.245 -0.312 -7.301 1.00 0.00 C ATOM 986 CE1 PHE A 60 -0.898 0.635 -8.834 1.00 0.00 C ATOM 987 CE2 PHE A 60 0.836 -1.014 -8.443 1.00 0.00 C ATOM 988 CZ PHE A 60 -0.236 -0.539 -9.209 1.00 0.00 C ATOM 0 H PHE A 60 0.440 3.546 -4.259 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.011 1.230 -5.094 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.226 2.659 -5.949 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.950 1.198 -5.309 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.002 2.242 -7.403 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.071 -0.678 -6.710 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.724 1.001 -9.425 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.347 -1.920 -8.732 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.552 -1.079 -10.089 1.00 0.00 H new ATOM 998 N SER A 61 1.251 0.891 -2.707 1.00 0.00 N ATOM 999 CA SER A 61 1.699 -0.007 -1.651 1.00 0.00 C ATOM 1000 C SER A 61 0.516 -0.481 -0.814 1.00 0.00 C ATOM 1001 O SER A 61 0.506 -1.606 -0.315 1.00 0.00 O ATOM 1002 CB SER A 61 2.711 0.706 -0.753 1.00 0.00 C ATOM 1003 OG SER A 61 2.816 0.009 0.481 1.00 0.00 O ATOM 0 H SER A 61 1.713 1.801 -2.717 1.00 0.00 H new ATOM 0 HA SER A 61 2.172 -0.873 -2.113 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.683 0.749 -1.244 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.397 1.735 -0.577 1.00 0.00 H new ATOM 0 HG SER A 61 3.465 0.462 1.059 1.00 0.00 H new ATOM 1009 N PHE A 62 -0.481 0.386 -0.664 1.00 0.00 N ATOM 1010 CA PHE A 62 -1.667 0.046 0.114 1.00 0.00 C ATOM 1011 C PHE A 62 -2.499 -1.007 -0.614 1.00 0.00 C ATOM 1012 O PHE A 62 -3.096 -1.882 0.013 1.00 0.00 O ATOM 1013 CB PHE A 62 -2.515 1.298 0.349 1.00 0.00 C ATOM 1014 CG PHE A 62 -2.938 1.360 1.798 1.00 0.00 C ATOM 1015 CD1 PHE A 62 -3.922 0.488 2.278 1.00 0.00 C ATOM 1016 CD2 PHE A 62 -2.345 2.290 2.661 1.00 0.00 C ATOM 1017 CE1 PHE A 62 -4.314 0.545 3.621 1.00 0.00 C ATOM 1018 CE2 PHE A 62 -2.737 2.348 4.004 1.00 0.00 C ATOM 1019 CZ PHE A 62 -3.721 1.475 4.484 1.00 0.00 C ATOM 0 H PHE A 62 -0.492 1.323 -1.068 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.347 -0.359 1.074 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.945 2.190 0.088 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.393 1.281 -0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.379 -0.229 1.612 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.585 2.962 2.291 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.073 -0.128 3.991 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.281 3.066 4.669 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.023 1.519 5.520 1.00 0.00 H new ATOM 1029 N ILE A 63 -2.532 -0.914 -1.938 1.00 0.00 N ATOM 1030 CA ILE A 63 -3.294 -1.863 -2.743 1.00 0.00 C ATOM 1031 C ILE A 63 -2.780 -3.283 -2.527 1.00 0.00 C ATOM 1032 O ILE A 63 -3.557 -4.202 -2.270 1.00 0.00 O ATOM 1033 CB ILE A 63 -3.182 -1.496 -4.224 1.00 0.00 C ATOM 1034 CG1 ILE A 63 -3.933 -0.188 -4.482 1.00 0.00 C ATOM 1035 CG2 ILE A 63 -3.795 -2.611 -5.074 1.00 0.00 C ATOM 1036 CD1 ILE A 63 -5.423 -0.480 -4.666 1.00 0.00 C ATOM 0 H ILE A 63 -2.044 -0.197 -2.475 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.339 -1.818 -2.435 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.132 -1.372 -4.490 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.787 0.498 -3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.536 0.302 -5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.715 -2.350 -6.129 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.262 -3.544 -4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.845 -2.735 -4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.957 0.453 -4.850 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.560 -1.150 -5.515 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.815 -0.951 -3.765 1.00 0.00 H new ATOM 1048 N ILE A 64 -1.467 -3.454 -2.636 1.00 0.00 N ATOM 1049 CA ILE A 64 -0.861 -4.769 -2.450 1.00 0.00 C ATOM 1050 C ILE A 64 -1.097 -5.271 -1.029 1.00 0.00 C ATOM 1051 O ILE A 64 -1.332 -6.459 -0.812 1.00 0.00 O ATOM 1052 CB ILE A 64 0.642 -4.694 -2.725 1.00 0.00 C ATOM 1053 CG1 ILE A 64 0.891 -4.782 -4.232 1.00 0.00 C ATOM 1054 CG2 ILE A 64 1.347 -5.857 -2.024 1.00 0.00 C ATOM 1055 CD1 ILE A 64 -0.048 -3.821 -4.963 1.00 0.00 C ATOM 0 H ILE A 64 -0.806 -2.707 -2.850 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.324 -5.465 -3.150 1.00 0.00 H new ATOM 0 HB ILE A 64 1.033 -3.750 -2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.928 -4.533 -4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.727 -5.802 -4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.418 -5.804 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.171 -5.795 -0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 64 0.955 -6.801 -2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.130 -3.884 -6.036 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.082 -4.091 -4.750 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.138 -2.802 -4.624 1.00 0.00 H new ATOM 1067 N VAL A 65 -1.030 -4.358 -0.066 1.00 0.00 N ATOM 1068 CA VAL A 65 -1.236 -4.718 1.332 1.00 0.00 C ATOM 1069 C VAL A 65 -2.671 -5.181 1.564 1.00 0.00 C ATOM 1070 O VAL A 65 -2.907 -6.204 2.204 1.00 0.00 O ATOM 1071 CB VAL A 65 -0.933 -3.516 2.229 1.00 0.00 C ATOM 1072 CG1 VAL A 65 -1.459 -3.785 3.639 1.00 0.00 C ATOM 1073 CG2 VAL A 65 0.580 -3.290 2.283 1.00 0.00 C ATOM 0 H VAL A 65 -0.836 -3.370 -0.226 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.561 -5.537 1.580 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.420 -2.629 1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.243 -2.928 4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.536 -3.946 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.973 -4.672 4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.797 -2.434 2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.066 -4.178 2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.955 -3.097 1.278 1.00 0.00 H new ATOM 1083 N ALA A 66 -3.626 -4.419 1.039 1.00 0.00 N ATOM 1084 CA ALA A 66 -5.035 -4.761 1.198 1.00 0.00 C ATOM 1085 C ALA A 66 -5.291 -6.197 0.753 1.00 0.00 C ATOM 1086 O ALA A 66 -5.939 -6.970 1.459 1.00 0.00 O ATOM 1087 CB ALA A 66 -5.900 -3.808 0.372 1.00 0.00 C ATOM 0 H ALA A 66 -3.452 -3.568 0.504 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.295 -4.667 2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.951 -4.070 0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.739 -2.785 0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.628 -3.889 -0.680 1.00 0.00 H new ATOM 1093 N ILE A 67 -4.778 -6.548 -0.421 1.00 0.00 N ATOM 1094 CA ILE A 67 -4.958 -7.895 -0.952 1.00 0.00 C ATOM 1095 C ILE A 67 -4.448 -8.935 0.041 1.00 0.00 C ATOM 1096 O ILE A 67 -5.010 -10.024 0.157 1.00 0.00 O ATOM 1097 CB ILE A 67 -4.208 -8.039 -2.276 1.00 0.00 C ATOM 1098 CG1 ILE A 67 -4.854 -7.138 -3.331 1.00 0.00 C ATOM 1099 CG2 ILE A 67 -4.273 -9.495 -2.744 1.00 0.00 C ATOM 1100 CD1 ILE A 67 -4.017 -7.168 -4.611 1.00 0.00 C ATOM 0 H ILE A 67 -4.238 -5.924 -1.020 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.022 -8.060 -1.119 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.167 -7.747 -2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.869 -7.475 -3.540 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.928 -6.117 -2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.738 -9.598 -3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.813 -10.139 -1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.314 -9.786 -2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.478 -6.526 -5.362 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.010 -6.810 -4.396 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.966 -8.189 -4.989 1.00 0.00 H new ATOM 1112 N LEU A 68 -3.378 -8.593 0.751 1.00 0.00 N ATOM 1113 CA LEU A 68 -2.797 -9.505 1.730 1.00 0.00 C ATOM 1114 C LEU A 68 -3.791 -9.792 2.853 1.00 0.00 C ATOM 1115 O LEU A 68 -3.929 -10.931 3.297 1.00 0.00 O ATOM 1116 CB LEU A 68 -1.521 -8.895 2.318 1.00 0.00 C ATOM 1117 CG LEU A 68 -0.330 -9.812 2.029 1.00 0.00 C ATOM 1118 CD1 LEU A 68 0.043 -9.712 0.548 1.00 0.00 C ATOM 1119 CD2 LEU A 68 0.864 -9.383 2.887 1.00 0.00 C ATOM 0 H LEU A 68 -2.898 -7.697 0.668 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.555 -10.441 1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.346 -7.909 1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.634 -8.758 3.393 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.597 -10.842 2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.891 -10.365 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.807 -10.017 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.311 -8.683 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.713 -10.036 2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.132 -8.354 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.598 -9.454 3.942 1.00 0.00 H new ATOM 1131 N VAL A 69 -4.478 -8.750 3.307 1.00 0.00 N ATOM 1132 CA VAL A 69 -5.454 -8.900 4.381 1.00 0.00 C ATOM 1133 C VAL A 69 -6.503 -9.946 4.014 1.00 0.00 C ATOM 1134 O VAL A 69 -6.854 -10.799 4.829 1.00 0.00 O ATOM 1135 CB VAL A 69 -6.140 -7.560 4.651 1.00 0.00 C ATOM 1136 CG1 VAL A 69 -7.241 -7.750 5.697 1.00 0.00 C ATOM 1137 CG2 VAL A 69 -5.109 -6.557 5.172 1.00 0.00 C ATOM 0 H VAL A 69 -4.379 -7.799 2.952 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.930 -9.229 5.278 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.579 -7.184 3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.729 -6.795 5.889 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.975 -8.465 5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.803 -8.126 6.622 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.596 -5.601 5.365 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.670 -6.933 6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.325 -6.421 4.427 1.00 0.00 H new ATOM 1147 N SER A 70 -6.996 -9.877 2.781 1.00 0.00 N ATOM 1148 CA SER A 70 -7.999 -10.828 2.316 1.00 0.00 C ATOM 1149 C SER A 70 -7.362 -12.195 2.127 1.00 0.00 C ATOM 1150 O SER A 70 -7.879 -13.207 2.602 1.00 0.00 O ATOM 1151 CB SER A 70 -8.603 -10.354 0.996 1.00 0.00 C ATOM 1152 OG SER A 70 -8.300 -11.297 -0.024 1.00 0.00 O ATOM 0 H SER A 70 -6.720 -9.178 2.091 1.00 0.00 H new ATOM 0 HA SER A 70 -8.791 -10.898 3.062 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.683 -10.243 1.096 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.205 -9.374 0.732 1.00 0.00 H new ATOM 0 HG SER A 70 -8.688 -10.997 -0.873 1.00 0.00 H new ATOM 1158 N THR A 71 -6.223 -12.212 1.444 1.00 0.00 N ATOM 1159 CA THR A 71 -5.502 -13.452 1.210 1.00 0.00 C ATOM 1160 C THR A 71 -5.124 -14.076 2.543 1.00 0.00 C ATOM 1161 O THR A 71 -5.045 -15.297 2.675 1.00 0.00 O ATOM 1162 CB THR A 71 -4.241 -13.182 0.387 1.00 0.00 C ATOM 1163 OG1 THR A 71 -4.582 -12.421 -0.764 1.00 0.00 O ATOM 1164 CG2 THR A 71 -3.614 -14.509 -0.044 1.00 0.00 C ATOM 0 H THR A 71 -5.782 -11.383 1.045 1.00 0.00 H new ATOM 0 HA THR A 71 -6.142 -14.138 0.655 1.00 0.00 H new ATOM 0 HB THR A 71 -3.525 -12.626 0.992 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.560 -11.466 -0.543 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.716 -14.314 -0.630 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.351 -15.091 0.839 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.327 -15.069 -0.649 1.00 0.00 H new ATOM 1172 N VAL A 72 -4.898 -13.218 3.534 1.00 0.00 N ATOM 1173 CA VAL A 72 -4.534 -13.683 4.866 1.00 0.00 C ATOM 1174 C VAL A 72 -5.758 -14.260 5.564 1.00 0.00 C ATOM 1175 O VAL A 72 -5.700 -15.339 6.154 1.00 0.00 O ATOM 1176 CB VAL A 72 -3.967 -12.527 5.690 1.00 0.00 C ATOM 1177 CG1 VAL A 72 -3.968 -12.908 7.172 1.00 0.00 C ATOM 1178 CG2 VAL A 72 -2.533 -12.239 5.239 1.00 0.00 C ATOM 0 H VAL A 72 -4.960 -12.204 3.440 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.774 -14.458 4.773 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.582 -11.639 5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.564 -12.084 7.760 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.988 -13.117 7.493 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.353 -13.795 7.320 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.126 -11.415 5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.919 -13.128 5.387 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.531 -11.969 4.183 1.00 0.00 H new ATOM 1188 N LYS A 73 -6.868 -13.536 5.479 1.00 0.00 N ATOM 1189 CA LYS A 73 -8.109 -13.986 6.091 1.00 0.00 C ATOM 1190 C LYS A 73 -8.642 -15.200 5.342 1.00 0.00 C ATOM 1191 O LYS A 73 -9.303 -16.062 5.923 1.00 0.00 O ATOM 1192 CB LYS A 73 -9.149 -12.864 6.057 1.00 0.00 C ATOM 1193 CG LYS A 73 -9.875 -12.799 7.402 1.00 0.00 C ATOM 1194 CD LYS A 73 -10.745 -11.542 7.450 1.00 0.00 C ATOM 1195 CE LYS A 73 -11.363 -11.402 8.842 1.00 0.00 C ATOM 1196 NZ LYS A 73 -11.343 -9.969 9.251 1.00 0.00 N ATOM 0 H LYS A 73 -6.933 -12.640 4.995 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.913 -14.258 7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.664 -11.911 5.847 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.864 -13.041 5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.492 -13.687 7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.152 -12.786 8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.145 -10.662 7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.530 -11.601 6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.387 -11.776 8.837 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.808 -12.004 9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.763 -9.872 10.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.361 -9.627 9.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.891 -9.406 8.570 1.00 0.00 H new ATOM 1210 N SER A 74 -8.344 -15.261 4.048 1.00 0.00 N ATOM 1211 CA SER A 74 -8.792 -16.378 3.223 1.00 0.00 C ATOM 1212 C SER A 74 -8.082 -17.659 3.642 1.00 0.00 C ATOM 1213 O SER A 74 -8.709 -18.707 3.800 1.00 0.00 O ATOM 1214 CB SER A 74 -8.506 -16.089 1.749 1.00 0.00 C ATOM 1215 OG SER A 74 -9.733 -15.876 1.063 1.00 0.00 O ATOM 0 H SER A 74 -7.799 -14.557 3.551 1.00 0.00 H new ATOM 0 HA SER A 74 -9.866 -16.505 3.361 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.868 -15.210 1.656 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.966 -16.924 1.301 1.00 0.00 H new ATOM 0 HG SER A 74 -9.551 -15.689 0.118 1.00 0.00 H new ATOM 1471 N VAL A 89 -19.873 -9.376 -5.629 1.00 0.00 N ATOM 1472 CA VAL A 89 -19.045 -9.484 -6.825 1.00 0.00 C ATOM 1473 C VAL A 89 -19.880 -9.284 -8.085 1.00 0.00 C ATOM 1474 O VAL A 89 -19.382 -8.795 -9.099 1.00 0.00 O ATOM 1475 CB VAL A 89 -18.370 -10.856 -6.869 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -17.463 -10.941 -8.099 1.00 0.00 C ATOM 1477 CG2 VAL A 89 -17.533 -11.053 -5.603 1.00 0.00 C ATOM 0 HA VAL A 89 -18.285 -8.704 -6.785 1.00 0.00 H new ATOM 0 HB VAL A 89 -19.132 -11.634 -6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -16.982 -11.919 -8.130 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -18.059 -10.801 -9.001 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -16.701 -10.164 -8.044 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -17.052 -12.030 -5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -16.772 -10.275 -5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -18.179 -10.994 -4.727 1.00 0.00 H new ATOM 1487 N GLU A 90 -21.150 -9.667 -8.018 1.00 0.00 N ATOM 1488 CA GLU A 90 -22.039 -9.526 -9.166 1.00 0.00 C ATOM 1489 C GLU A 90 -22.431 -8.065 -9.369 1.00 0.00 C ATOM 1490 O GLU A 90 -22.648 -7.623 -10.498 1.00 0.00 O ATOM 1491 CB GLU A 90 -23.298 -10.369 -8.958 1.00 0.00 C ATOM 1492 CG GLU A 90 -24.069 -10.468 -10.276 1.00 0.00 C ATOM 1493 CD GLU A 90 -23.572 -11.662 -11.084 1.00 0.00 C ATOM 1494 OE1 GLU A 90 -23.298 -12.687 -10.482 1.00 0.00 O ATOM 1495 OE2 GLU A 90 -23.471 -11.532 -12.293 1.00 0.00 O ATOM 0 H GLU A 90 -21.584 -10.074 -7.190 1.00 0.00 H new ATOM 0 HA GLU A 90 -21.510 -9.874 -10.054 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -23.028 -11.365 -8.607 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -23.927 -9.919 -8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -25.135 -10.573 -10.076 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -23.941 -9.551 -10.851 1.00 0.00 H new ATOM 1502 N ASP A 91 -22.521 -7.320 -8.273 1.00 0.00 N ATOM 1503 CA ASP A 91 -22.888 -5.911 -8.347 1.00 0.00 C ATOM 1504 C ASP A 91 -21.837 -5.120 -9.120 1.00 0.00 C ATOM 1505 O ASP A 91 -22.164 -4.183 -9.848 1.00 0.00 O ATOM 1506 CB ASP A 91 -23.031 -5.333 -6.937 1.00 0.00 C ATOM 1507 CG ASP A 91 -23.983 -4.141 -6.957 1.00 0.00 C ATOM 1508 OD1 ASP A 91 -24.873 -4.133 -7.791 1.00 0.00 O ATOM 1509 OD2 ASP A 91 -23.809 -3.257 -6.137 1.00 0.00 O ATOM 0 H ASP A 91 -22.346 -7.665 -7.329 1.00 0.00 H new ATOM 0 HA ASP A 91 -23.841 -5.832 -8.870 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -23.407 -6.098 -6.258 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -22.056 -5.024 -6.561 1.00 0.00 H new ATOM 1514 N TRP A 92 -20.576 -5.503 -8.954 1.00 0.00 N ATOM 1515 CA TRP A 92 -19.484 -4.821 -9.640 1.00 0.00 C ATOM 1516 C TRP A 92 -19.627 -4.964 -11.153 1.00 0.00 C ATOM 1517 O TRP A 92 -19.328 -4.036 -11.903 1.00 0.00 O ATOM 1518 CB TRP A 92 -18.141 -5.404 -9.191 1.00 0.00 C ATOM 1519 CG TRP A 92 -17.409 -4.401 -8.357 1.00 0.00 C ATOM 1520 CD1 TRP A 92 -16.147 -3.972 -8.588 1.00 0.00 C ATOM 1521 CD2 TRP A 92 -17.869 -3.695 -7.168 1.00 0.00 C ATOM 1522 NE1 TRP A 92 -15.805 -3.048 -7.618 1.00 0.00 N ATOM 1523 CE2 TRP A 92 -16.833 -2.844 -6.720 1.00 0.00 C ATOM 1524 CE3 TRP A 92 -19.075 -3.710 -6.442 1.00 0.00 C ATOM 1525 CZ2 TRP A 92 -16.984 -2.036 -5.592 1.00 0.00 C ATOM 1526 CZ3 TRP A 92 -19.230 -2.899 -5.305 1.00 0.00 C ATOM 1527 CH2 TRP A 92 -18.187 -2.064 -4.882 1.00 0.00 C ATOM 0 H TRP A 92 -20.285 -6.276 -8.355 1.00 0.00 H new ATOM 0 HA TRP A 92 -19.523 -3.762 -9.384 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -18.303 -6.318 -8.619 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -17.542 -5.674 -10.061 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -15.511 -4.298 -9.398 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -14.903 -2.575 -7.572 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -19.886 -4.348 -6.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -16.177 -1.394 -5.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -20.159 -2.919 -4.754 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -18.313 -1.443 -4.008 1.00 0.00 H new ATOM 1538 N GLN A 93 -20.087 -6.131 -11.594 1.00 0.00 N ATOM 1539 CA GLN A 93 -20.265 -6.375 -13.020 1.00 0.00 C ATOM 1540 C GLN A 93 -21.207 -5.337 -13.620 1.00 0.00 C ATOM 1541 O GLN A 93 -21.070 -4.956 -14.783 1.00 0.00 O ATOM 1542 CB GLN A 93 -20.833 -7.778 -13.246 1.00 0.00 C ATOM 1543 CG GLN A 93 -19.698 -8.804 -13.200 1.00 0.00 C ATOM 1544 CD GLN A 93 -18.789 -8.631 -14.412 1.00 0.00 C ATOM 1545 OE1 GLN A 93 -19.264 -8.603 -15.547 1.00 0.00 O ATOM 1546 NE2 GLN A 93 -17.501 -8.513 -14.237 1.00 0.00 N ATOM 0 H GLN A 93 -20.341 -6.914 -10.992 1.00 0.00 H new ATOM 0 HA GLN A 93 -19.294 -6.298 -13.510 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -21.576 -8.008 -12.482 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -21.341 -7.825 -14.209 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -19.122 -8.681 -12.283 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -20.109 -9.813 -13.185 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -17.110 -8.537 -13.295 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -16.885 -8.397 -15.042 1.00 0.00 H new ATOM 1555 N GLU A 94 -22.162 -4.881 -12.815 1.00 0.00 N ATOM 1556 CA GLU A 94 -23.123 -3.881 -13.270 1.00 0.00 C ATOM 1557 C GLU A 94 -22.467 -2.507 -13.326 1.00 0.00 C ATOM 1558 O GLU A 94 -22.613 -1.773 -14.304 1.00 0.00 O ATOM 1559 CB GLU A 94 -24.326 -3.840 -12.324 1.00 0.00 C ATOM 1560 CG GLU A 94 -25.050 -5.188 -12.358 1.00 0.00 C ATOM 1561 CD GLU A 94 -26.475 -5.028 -11.836 1.00 0.00 C ATOM 1562 OE1 GLU A 94 -26.816 -3.930 -11.428 1.00 0.00 O ATOM 1563 OE2 GLU A 94 -27.203 -6.007 -11.851 1.00 0.00 O ATOM 0 H GLU A 94 -22.291 -5.186 -11.850 1.00 0.00 H new ATOM 0 HA GLU A 94 -23.462 -4.154 -14.269 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -23.996 -3.618 -11.309 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -25.007 -3.042 -12.620 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -25.068 -5.575 -13.377 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -24.511 -5.915 -11.751 1.00 0.00 H new ATOM 1570 N LYS A 95 -21.742 -2.167 -12.265 1.00 0.00 N ATOM 1571 CA LYS A 95 -21.060 -0.881 -12.193 1.00 0.00 C ATOM 1572 C LYS A 95 -19.822 -0.884 -13.085 1.00 0.00 C ATOM 1573 O LYS A 95 -19.364 0.168 -13.529 1.00 0.00 O ATOM 1574 CB LYS A 95 -20.650 -0.592 -10.748 1.00 0.00 C ATOM 1575 CG LYS A 95 -20.425 0.911 -10.566 1.00 0.00 C ATOM 1576 CD LYS A 95 -20.456 1.251 -9.075 1.00 0.00 C ATOM 1577 CE LYS A 95 -19.405 2.319 -8.771 1.00 0.00 C ATOM 1578 NZ LYS A 95 -19.687 2.929 -7.440 1.00 0.00 N ATOM 0 H LYS A 95 -21.612 -2.762 -11.447 1.00 0.00 H new ATOM 0 HA LYS A 95 -21.742 -0.105 -12.540 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -21.424 -0.939 -10.064 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -19.739 -1.138 -10.502 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -19.467 1.202 -10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -21.196 1.472 -11.095 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -21.446 1.610 -8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -20.262 0.356 -8.483 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -18.409 1.876 -8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -19.417 3.087 -9.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -18.972 3.656 -7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -20.631 3.365 -7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -19.655 2.192 -6.707 1.00 0.00 H new ATOM 1592 N TYR A 96 -19.286 -2.074 -13.341 1.00 0.00 N ATOM 1593 CA TYR A 96 -18.098 -2.198 -14.181 1.00 0.00 C ATOM 1594 C TYR A 96 -18.397 -1.732 -15.602 1.00 0.00 C ATOM 1595 O TYR A 96 -17.488 -1.381 -16.355 1.00 0.00 O ATOM 1596 CB TYR A 96 -17.622 -3.651 -14.207 1.00 0.00 C ATOM 1597 CG TYR A 96 -16.362 -3.750 -15.032 1.00 0.00 C ATOM 1598 CD1 TYR A 96 -15.226 -3.017 -14.669 1.00 0.00 C ATOM 1599 CD2 TYR A 96 -16.331 -4.575 -16.163 1.00 0.00 C ATOM 1600 CE1 TYR A 96 -14.058 -3.109 -15.437 1.00 0.00 C ATOM 1601 CE2 TYR A 96 -15.164 -4.667 -16.931 1.00 0.00 C ATOM 1602 CZ TYR A 96 -14.027 -3.934 -16.568 1.00 0.00 C ATOM 1603 OH TYR A 96 -12.876 -4.024 -17.323 1.00 0.00 O ATOM 0 H TYR A 96 -19.650 -2.957 -12.984 1.00 0.00 H new ATOM 0 HA TYR A 96 -17.313 -1.569 -13.761 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -17.434 -4.002 -13.192 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -18.397 -4.292 -14.628 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -15.250 -2.381 -13.797 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -17.208 -5.140 -16.443 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.182 -2.544 -15.157 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -15.140 -5.303 -17.803 1.00 0.00 H new ATOM 0 HH TYR A 96 -13.023 -4.640 -18.071 1.00 0.00 H new ATOM 1613 N LYS A 97 -19.675 -1.730 -15.962 1.00 0.00 N ATOM 1614 CA LYS A 97 -20.080 -1.301 -17.295 1.00 0.00 C ATOM 1615 C LYS A 97 -19.954 0.212 -17.427 1.00 0.00 C ATOM 1616 O LYS A 97 -19.497 0.721 -18.451 1.00 0.00 O ATOM 1617 CB LYS A 97 -21.527 -1.722 -17.561 1.00 0.00 C ATOM 1618 CG LYS A 97 -21.589 -3.237 -17.765 1.00 0.00 C ATOM 1619 CD LYS A 97 -23.030 -3.653 -18.066 1.00 0.00 C ATOM 1620 CE LYS A 97 -23.278 -3.574 -19.573 1.00 0.00 C ATOM 1621 NZ LYS A 97 -22.697 -4.775 -20.237 1.00 0.00 N ATOM 0 H LYS A 97 -20.443 -2.018 -15.355 1.00 0.00 H new ATOM 0 HA LYS A 97 -19.425 -1.775 -18.027 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -22.161 -1.431 -16.724 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -21.909 -1.210 -18.444 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -20.935 -3.531 -18.586 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -21.230 -3.750 -16.873 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -23.209 -4.667 -17.710 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -23.726 -3.002 -17.537 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -24.348 -3.517 -19.774 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -22.828 -2.668 -19.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -23.075 -4.855 -21.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -21.662 -4.683 -20.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -22.948 -5.627 -19.695 1.00 0.00 H new ATOM 1635 N SER A 98 -20.360 0.927 -16.382 1.00 0.00 N ATOM 1636 CA SER A 98 -20.286 2.383 -16.390 1.00 0.00 C ATOM 1637 C SER A 98 -18.834 2.843 -16.319 1.00 0.00 C ATOM 1638 O SER A 98 -18.444 3.805 -16.980 1.00 0.00 O ATOM 1639 CB SER A 98 -21.065 2.954 -15.205 1.00 0.00 C ATOM 1640 OG SER A 98 -20.594 4.264 -14.921 1.00 0.00 O ATOM 0 H SER A 98 -20.741 0.525 -15.525 1.00 0.00 H new ATOM 0 HA SER A 98 -20.726 2.746 -17.319 1.00 0.00 H new ATOM 0 HB2 SER A 98 -22.130 2.980 -15.434 1.00 0.00 H new ATOM 0 HB3 SER A 98 -20.942 2.314 -14.332 1.00 0.00 H new ATOM 0 HG SER A 98 -21.093 4.634 -14.163 1.00 0.00 H new ATOM 1646 N GLN A 99 -18.037 2.147 -15.513 1.00 0.00 N ATOM 1647 CA GLN A 99 -16.628 2.494 -15.366 1.00 0.00 C ATOM 1648 C GLN A 99 -15.925 2.449 -16.718 1.00 0.00 C ATOM 1649 O GLN A 99 -15.151 3.345 -17.055 1.00 0.00 O ATOM 1650 CB GLN A 99 -15.949 1.521 -14.399 1.00 0.00 C ATOM 1651 CG GLN A 99 -16.091 2.043 -12.968 1.00 0.00 C ATOM 1652 CD GLN A 99 -15.370 1.111 -12.000 1.00 0.00 C ATOM 1653 OE1 GLN A 99 -15.310 -0.165 -12.262 1.00 0.00 O flip ATOM 1654 NE2 GLN A 99 -14.847 1.558 -10.979 1.00 0.00 N flip ATOM 0 H GLN A 99 -18.339 1.347 -14.957 1.00 0.00 H new ATOM 0 HA GLN A 99 -16.559 3.506 -14.967 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -16.401 0.533 -14.484 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -14.895 1.413 -14.655 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -15.676 3.048 -12.896 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -17.145 2.114 -12.701 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -14.895 2.557 -10.776 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -14.365 0.930 -10.336 1.00 0.00 H new ATOM 1663 N ILE A 100 -16.203 1.404 -17.490 1.00 0.00 N ATOM 1664 CA ILE A 100 -15.595 1.259 -18.807 1.00 0.00 C ATOM 1665 C ILE A 100 -16.048 2.390 -19.724 1.00 0.00 C ATOM 1666 O ILE A 100 -15.289 2.853 -20.576 1.00 0.00 O ATOM 1667 CB ILE A 100 -15.990 -0.087 -19.419 1.00 0.00 C ATOM 1668 CG1 ILE A 100 -15.340 -1.220 -18.620 1.00 0.00 C ATOM 1669 CG2 ILE A 100 -15.515 -0.145 -20.873 1.00 0.00 C ATOM 1670 CD1 ILE A 100 -13.933 -1.488 -19.160 1.00 0.00 C ATOM 0 H ILE A 100 -16.840 0.651 -17.229 1.00 0.00 H new ATOM 0 HA ILE A 100 -14.511 1.302 -18.698 1.00 0.00 H new ATOM 0 HB ILE A 100 -17.074 -0.198 -19.388 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -15.290 -0.952 -17.565 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -15.946 -2.123 -18.692 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.796 -1.103 -21.310 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.979 0.662 -21.440 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -14.431 -0.035 -20.906 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -13.472 -2.295 -18.590 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.995 -1.775 -20.210 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -13.329 -0.586 -19.065 1.00 0.00 H new ATOM 1682 N LEU A 101 -17.287 2.831 -19.540 1.00 0.00 N ATOM 1683 CA LEU A 101 -17.833 3.911 -20.352 1.00 0.00 C ATOM 1684 C LEU A 101 -17.078 5.209 -20.089 1.00 0.00 C ATOM 1685 O LEU A 101 -16.840 5.999 -21.003 1.00 0.00 O ATOM 1686 CB LEU A 101 -19.318 4.106 -20.032 1.00 0.00 C ATOM 1687 CG LEU A 101 -20.136 4.048 -21.324 1.00 0.00 C ATOM 1688 CD1 LEU A 101 -21.622 3.929 -20.982 1.00 0.00 C ATOM 1689 CD2 LEU A 101 -19.899 5.326 -22.135 1.00 0.00 C ATOM 0 H LEU A 101 -17.929 2.460 -18.840 1.00 0.00 H new ATOM 0 HA LEU A 101 -17.721 3.645 -21.403 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -19.656 3.333 -19.341 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -19.470 5.065 -19.537 1.00 0.00 H new ATOM 0 HG LEU A 101 -19.828 3.183 -21.911 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -22.205 3.888 -21.902 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -21.791 3.020 -20.404 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -21.931 4.794 -20.395 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -20.481 5.286 -23.056 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -20.207 6.192 -21.548 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -18.840 5.411 -22.379 1.00 0.00 H new ATOM 1701 N ASN A 102 -16.702 5.423 -18.832 1.00 0.00 N ATOM 1702 CA ASN A 102 -15.972 6.628 -18.458 1.00 0.00 C ATOM 1703 C ASN A 102 -14.595 6.638 -19.111 1.00 0.00 C ATOM 1704 O ASN A 102 -14.150 7.663 -19.630 1.00 0.00 O ATOM 1705 CB ASN A 102 -15.823 6.697 -16.938 1.00 0.00 C ATOM 1706 CG ASN A 102 -17.188 6.901 -16.288 1.00 0.00 C ATOM 1707 OD1 ASN A 102 -18.118 7.546 -16.937 1.00 0.00 O flip ATOM 1708 ND2 ASN A 102 -17.413 6.460 -15.162 1.00 0.00 N flip ATOM 0 H ASN A 102 -16.889 4.783 -18.061 1.00 0.00 H new ATOM 0 HA ASN A 102 -16.532 7.496 -18.804 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -15.368 5.779 -16.567 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -15.156 7.515 -16.667 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -16.684 5.956 -14.657 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -18.328 6.598 -14.734 1.00 0.00 H new ATOM 1715 N LEU A 103 -13.925 5.490 -19.085 1.00 0.00 N ATOM 1716 CA LEU A 103 -12.599 5.376 -19.681 1.00 0.00 C ATOM 1717 C LEU A 103 -12.672 5.601 -21.188 1.00 0.00 C ATOM 1718 O LEU A 103 -11.759 6.171 -21.786 1.00 0.00 O ATOM 1719 CB LEU A 103 -12.017 3.989 -19.400 1.00 0.00 C ATOM 1720 CG LEU A 103 -10.986 4.083 -18.272 1.00 0.00 C ATOM 1721 CD1 LEU A 103 -9.845 5.009 -18.696 1.00 0.00 C ATOM 1722 CD2 LEU A 103 -11.656 4.640 -17.012 1.00 0.00 C ATOM 0 H LEU A 103 -14.276 4.631 -18.661 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.955 6.136 -19.239 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.814 3.299 -19.122 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.550 3.590 -20.301 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.587 3.090 -18.063 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.112 5.075 -17.892 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.367 4.611 -19.591 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.242 6.002 -18.907 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.922 4.707 -16.209 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.057 5.632 -17.221 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.467 3.978 -16.708 1.00 0.00 H new ATOM 1734 N GLU A 104 -13.765 5.149 -21.795 1.00 0.00 N ATOM 1735 CA GLU A 104 -13.948 5.306 -23.233 1.00 0.00 C ATOM 1736 C GLU A 104 -13.715 6.754 -23.650 1.00 0.00 C ATOM 1737 O GLU A 104 -13.190 7.022 -24.730 1.00 0.00 O ATOM 1738 CB GLU A 104 -15.365 4.882 -23.626 1.00 0.00 C ATOM 1739 CG GLU A 104 -15.505 4.916 -25.150 1.00 0.00 C ATOM 1740 CD GLU A 104 -15.173 3.547 -25.735 1.00 0.00 C ATOM 1741 OE1 GLU A 104 -14.606 2.740 -25.017 1.00 0.00 O ATOM 1742 OE2 GLU A 104 -15.491 3.327 -26.892 1.00 0.00 O ATOM 0 H GLU A 104 -14.532 4.675 -21.318 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.222 4.673 -23.744 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -15.572 3.879 -23.254 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -16.096 5.549 -23.168 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -16.521 5.201 -25.424 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -14.839 5.671 -25.568 1.00 0.00 H new ATOM 1749 N GLU A 105 -14.107 7.685 -22.786 1.00 0.00 N ATOM 1750 CA GLU A 105 -13.932 9.102 -23.077 1.00 0.00 C ATOM 1751 C GLU A 105 -12.450 9.450 -23.159 1.00 0.00 C ATOM 1752 O GLU A 105 -12.028 10.216 -24.026 1.00 0.00 O ATOM 1753 CB GLU A 105 -14.597 9.948 -21.989 1.00 0.00 C ATOM 1754 CG GLU A 105 -16.107 9.989 -22.226 1.00 0.00 C ATOM 1755 CD GLU A 105 -16.758 10.982 -21.269 1.00 0.00 C ATOM 1756 OE1 GLU A 105 -16.632 12.172 -21.506 1.00 0.00 O ATOM 1757 OE2 GLU A 105 -17.373 10.538 -20.314 1.00 0.00 O ATOM 0 H GLU A 105 -14.544 7.486 -21.886 1.00 0.00 H new ATOM 0 HA GLU A 105 -14.400 9.317 -24.038 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.384 9.528 -21.006 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.189 10.959 -21.999 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -16.314 10.276 -23.257 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -16.534 8.997 -22.079 1.00 0.00 H new ATOM 1764 N SER A 106 -11.664 8.880 -22.252 1.00 0.00 N ATOM 1765 CA SER A 106 -10.229 9.135 -22.233 1.00 0.00 C ATOM 1766 C SER A 106 -9.601 8.739 -23.566 1.00 0.00 C ATOM 1767 O SER A 106 -8.695 9.409 -24.060 1.00 0.00 O ATOM 1768 CB SER A 106 -9.572 8.342 -21.103 1.00 0.00 C ATOM 1769 OG SER A 106 -8.417 9.038 -20.652 1.00 0.00 O ATOM 0 H SER A 106 -11.993 8.243 -21.526 1.00 0.00 H new ATOM 0 HA SER A 106 -10.069 10.200 -22.068 1.00 0.00 H new ATOM 0 HB2 SER A 106 -10.275 8.208 -20.281 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.298 7.347 -21.453 1.00 0.00 H new ATOM 0 HG SER A 106 -7.994 8.534 -19.926 1.00 0.00 H new ATOM 1775 N LYS A 107 -10.095 7.649 -24.144 1.00 0.00 N ATOM 1776 CA LYS A 107 -9.580 7.174 -25.422 1.00 0.00 C ATOM 1777 C LYS A 107 -9.849 8.202 -26.514 1.00 0.00 C ATOM 1778 O LYS A 107 -9.028 8.402 -27.411 1.00 0.00 O ATOM 1779 CB LYS A 107 -10.241 5.845 -25.792 1.00 0.00 C ATOM 1780 CG LYS A 107 -9.202 4.909 -26.412 1.00 0.00 C ATOM 1781 CD LYS A 107 -8.822 5.418 -27.803 1.00 0.00 C ATOM 1782 CE LYS A 107 -7.968 4.368 -28.516 1.00 0.00 C ATOM 1783 NZ LYS A 107 -8.614 3.031 -28.386 1.00 0.00 N ATOM 0 H LYS A 107 -10.846 7.082 -23.751 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.504 7.027 -25.331 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.676 5.385 -24.905 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -11.056 6.016 -26.495 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.317 4.859 -25.777 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.603 3.898 -26.480 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.721 5.626 -28.384 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.271 6.355 -27.721 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.855 4.629 -29.568 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.967 4.344 -28.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.286 2.411 -29.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.360 2.611 -27.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.647 3.137 -28.444 1.00 0.00 H new ATOM 1797 N ALA A 108 -11.003 8.855 -26.430 1.00 0.00 N ATOM 1798 CA ALA A 108 -11.372 9.865 -27.413 1.00 0.00 C ATOM 1799 C ALA A 108 -10.304 10.951 -27.488 1.00 0.00 C ATOM 1800 O ALA A 108 -9.986 11.450 -28.568 1.00 0.00 O ATOM 1801 CB ALA A 108 -12.715 10.495 -27.035 1.00 0.00 C ATOM 0 H ALA A 108 -11.695 8.704 -25.696 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.457 9.384 -28.388 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -12.984 11.249 -27.775 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -13.484 9.723 -27.007 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -12.634 10.962 -26.053 1.00 0.00 H new ATOM 1807 N THR A 109 -9.751 11.310 -26.333 1.00 0.00 N ATOM 1808 CA THR A 109 -8.716 12.335 -26.280 1.00 0.00 C ATOM 1809 C THR A 109 -7.480 11.881 -27.049 1.00 0.00 C ATOM 1810 O THR A 109 -6.841 12.674 -27.741 1.00 0.00 O ATOM 1811 CB THR A 109 -8.341 12.627 -24.826 1.00 0.00 C ATOM 1812 OG1 THR A 109 -7.688 11.493 -24.272 1.00 0.00 O ATOM 1813 CG2 THR A 109 -9.606 12.934 -24.024 1.00 0.00 C ATOM 0 H THR A 109 -10.000 10.910 -25.429 1.00 0.00 H new ATOM 0 HA THR A 109 -9.104 13.244 -26.740 1.00 0.00 H new ATOM 0 HB THR A 109 -7.672 13.487 -24.787 1.00 0.00 H new ATOM 0 HG1 THR A 109 -8.358 10.844 -23.971 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.338 13.142 -22.988 1.00 0.00 H new ATOM 0 HG22 THR A 109 -10.106 13.803 -24.451 1.00 0.00 H new ATOM 0 HG23 THR A 109 -10.277 12.076 -24.060 1.00 0.00 H new ATOM 1821 N ILE A 110 -7.151 10.599 -26.927 1.00 0.00 N ATOM 1822 CA ILE A 110 -5.992 10.051 -27.621 1.00 0.00 C ATOM 1823 C ILE A 110 -6.142 10.237 -29.127 1.00 0.00 C ATOM 1824 O ILE A 110 -5.162 10.482 -29.832 1.00 0.00 O ATOM 1825 CB ILE A 110 -5.843 8.564 -27.295 1.00 0.00 C ATOM 1826 CG1 ILE A 110 -5.396 8.404 -25.840 1.00 0.00 C ATOM 1827 CG2 ILE A 110 -4.796 7.940 -28.221 1.00 0.00 C ATOM 1828 CD1 ILE A 110 -5.110 6.929 -25.551 1.00 0.00 C ATOM 0 H ILE A 110 -7.666 9.926 -26.359 1.00 0.00 H new ATOM 0 HA ILE A 110 -5.101 10.582 -27.287 1.00 0.00 H new ATOM 0 HB ILE A 110 -6.800 8.063 -27.439 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -4.503 9.001 -25.655 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -6.171 8.773 -25.168 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.690 6.880 -27.989 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.113 8.054 -29.258 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.838 8.441 -28.077 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -4.792 6.816 -24.515 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -6.014 6.343 -25.719 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -4.320 6.575 -26.214 1.00 0.00 H new ATOM 1840 N HIS A 111 -7.373 10.121 -29.612 1.00 0.00 N ATOM 1841 CA HIS A 111 -7.641 10.283 -31.037 1.00 0.00 C ATOM 1842 C HIS A 111 -7.195 11.664 -31.507 1.00 0.00 C ATOM 1843 O HIS A 111 -6.851 11.853 -32.673 1.00 0.00 O ATOM 1844 CB HIS A 111 -9.136 10.105 -31.312 1.00 0.00 C ATOM 1845 CG HIS A 111 -9.352 9.861 -32.780 1.00 0.00 C ATOM 1846 ND1 HIS A 111 -9.730 10.872 -33.650 1.00 0.00 N ATOM 1847 CD2 HIS A 111 -9.250 8.726 -33.546 1.00 0.00 C ATOM 1848 CE1 HIS A 111 -9.843 10.331 -34.877 1.00 0.00 C ATOM 1849 NE2 HIS A 111 -9.561 9.025 -34.869 1.00 0.00 N ATOM 0 H HIS A 111 -8.196 9.917 -29.045 1.00 0.00 H new ATOM 0 HA HIS A 111 -7.081 9.525 -31.584 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -9.526 9.268 -30.733 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -9.683 10.994 -30.996 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -8.971 7.750 -33.178 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -10.127 10.885 -35.760 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -9.571 8.384 -35.663 1.00 0.00 H new ATOM 1858 N GLU A 112 -7.203 12.625 -30.588 1.00 0.00 N ATOM 1859 CA GLU A 112 -6.797 13.987 -30.915 1.00 0.00 C ATOM 1860 C GLU A 112 -5.307 14.039 -31.236 1.00 0.00 C ATOM 1861 O GLU A 112 -4.855 14.898 -31.994 1.00 0.00 O ATOM 1862 CB GLU A 112 -7.098 14.919 -29.740 1.00 0.00 C ATOM 1863 CG GLU A 112 -7.750 16.204 -30.256 1.00 0.00 C ATOM 1864 CD GLU A 112 -9.258 16.013 -30.376 1.00 0.00 C ATOM 1865 OE1 GLU A 112 -9.752 15.026 -29.856 1.00 0.00 O ATOM 1866 OE2 GLU A 112 -9.896 16.854 -30.985 1.00 0.00 O ATOM 0 H GLU A 112 -7.484 12.487 -29.617 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.359 14.312 -31.791 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -7.760 14.423 -29.030 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -6.178 15.156 -29.206 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.533 17.029 -29.578 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -7.331 16.470 -31.226 1.00 0.00 H new ATOM 1873 N ASN A 113 -4.549 13.117 -30.652 1.00 0.00 N ATOM 1874 CA ASN A 113 -3.109 13.069 -30.882 1.00 0.00 C ATOM 1875 C ASN A 113 -2.808 12.985 -32.375 1.00 0.00 C ATOM 1876 O ASN A 113 -1.984 13.737 -32.894 1.00 0.00 O ATOM 1877 CB ASN A 113 -2.506 11.858 -30.169 1.00 0.00 C ATOM 1878 CG ASN A 113 -0.986 11.967 -30.152 1.00 0.00 C ATOM 1879 OD1 ASN A 113 -0.296 11.136 -30.742 1.00 0.00 O ATOM 1880 ND2 ASN A 113 -0.419 12.950 -29.508 1.00 0.00 N ATOM 0 H ASN A 113 -4.904 12.398 -30.021 1.00 0.00 H new ATOM 0 HA ASN A 113 -2.666 13.982 -30.484 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -2.886 11.800 -29.149 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -2.807 10.941 -30.675 1.00 0.00 H new ATOM 0 HD21 ASN A 113 0.598 13.031 -29.493 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.992 13.638 -29.020 1.00 0.00 H new