USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=12 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 -78:sc= -1.77! 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 73:sc= 0.47 USER MOD Single : A 70 SER OG : rot 85:sc= 0.587 USER MOD Single : A 71 THR OG1 : rot 81:sc= 0.171 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= -0.104 K(o=-0.1,f=-2.4!) USER MOD Single : A 95 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.042) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.024) USER MOD Single : A 102 ASN : amide:sc= -0.181 K(o=-0.18,f=-2.5!) USER MOD Single : A 106 SER OG : rot -86:sc= 0.264 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -9:sc= -0.779 USER MOD Single : A 111 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.27) USER MOD Single : A 113 ASN : amide:sc= -3.22! C(o=-3.2!,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 173 N GLU A 12 54.753 23.587 5.987 1.00 0.00 N ATOM 174 CA GLU A 12 53.762 24.032 6.962 1.00 0.00 C ATOM 175 C GLU A 12 53.257 25.431 6.621 1.00 0.00 C ATOM 176 O GLU A 12 52.055 25.693 6.654 1.00 0.00 O ATOM 177 CB GLU A 12 54.380 24.039 8.363 1.00 0.00 C ATOM 178 CG GLU A 12 53.270 24.078 9.417 1.00 0.00 C ATOM 179 CD GLU A 12 53.443 25.301 10.311 1.00 0.00 C ATOM 180 OE1 GLU A 12 54.573 25.725 10.490 1.00 0.00 O ATOM 181 OE2 GLU A 12 52.443 25.797 10.804 1.00 0.00 O ATOM 0 HA GLU A 12 52.920 23.341 6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 12 54.997 23.151 8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 12 55.034 24.903 8.478 1.00 0.00 H new ATOM 0 HG2 GLU A 12 52.295 24.108 8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 12 53.297 23.170 10.019 1.00 0.00 H new ATOM 188 N ASP A 13 54.183 26.327 6.294 1.00 0.00 N ATOM 189 CA ASP A 13 53.822 27.699 5.950 1.00 0.00 C ATOM 190 C ASP A 13 52.998 27.737 4.667 1.00 0.00 C ATOM 191 O ASP A 13 52.067 28.531 4.537 1.00 0.00 O ATOM 192 CB ASP A 13 55.083 28.545 5.773 1.00 0.00 C ATOM 193 CG ASP A 13 54.772 30.008 6.074 1.00 0.00 C ATOM 194 OD1 ASP A 13 53.662 30.282 6.500 1.00 0.00 O ATOM 195 OD2 ASP A 13 55.650 30.832 5.876 1.00 0.00 O ATOM 0 H ASP A 13 55.183 26.130 6.260 1.00 0.00 H new ATOM 0 HA ASP A 13 53.222 28.107 6.764 1.00 0.00 H new ATOM 0 HB2 ASP A 13 55.868 28.187 6.438 1.00 0.00 H new ATOM 0 HB3 ASP A 13 55.458 28.446 4.754 1.00 0.00 H new ATOM 200 N VAL A 14 53.349 26.872 3.721 1.00 0.00 N ATOM 201 CA VAL A 14 52.639 26.813 2.451 1.00 0.00 C ATOM 202 C VAL A 14 51.287 26.141 2.642 1.00 0.00 C ATOM 203 O VAL A 14 50.269 26.606 2.129 1.00 0.00 O ATOM 204 CB VAL A 14 53.462 26.031 1.426 1.00 0.00 C ATOM 205 CG1 VAL A 14 52.554 25.581 0.281 1.00 0.00 C ATOM 206 CG2 VAL A 14 54.575 26.925 0.873 1.00 0.00 C ATOM 0 H VAL A 14 54.117 26.206 3.810 1.00 0.00 H new ATOM 0 HA VAL A 14 52.486 27.829 2.086 1.00 0.00 H new ATOM 0 HB VAL A 14 53.904 25.158 1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 14 53.140 25.024 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 14 51.762 24.943 0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 14 52.112 26.455 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 14 55.161 26.367 0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 14 54.135 27.799 0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 14 55.223 27.246 1.689 1.00 0.00 H new ATOM 216 N PHE A 15 51.288 25.050 3.397 1.00 0.00 N ATOM 217 CA PHE A 15 50.061 24.318 3.673 1.00 0.00 C ATOM 218 C PHE A 15 49.179 25.127 4.612 1.00 0.00 C ATOM 219 O PHE A 15 47.952 25.075 4.528 1.00 0.00 O ATOM 220 CB PHE A 15 50.388 22.966 4.313 1.00 0.00 C ATOM 221 CG PHE A 15 49.237 22.014 4.098 1.00 0.00 C ATOM 222 CD1 PHE A 15 48.886 21.619 2.802 1.00 0.00 C ATOM 223 CD2 PHE A 15 48.520 21.524 5.198 1.00 0.00 C ATOM 224 CE1 PHE A 15 47.819 20.735 2.604 1.00 0.00 C ATOM 225 CE2 PHE A 15 47.453 20.639 4.999 1.00 0.00 C ATOM 226 CZ PHE A 15 47.102 20.246 3.702 1.00 0.00 C ATOM 0 H PHE A 15 52.123 24.654 3.828 1.00 0.00 H new ATOM 0 HA PHE A 15 49.532 24.150 2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 15 51.299 22.556 3.876 1.00 0.00 H new ATOM 0 HB3 PHE A 15 50.575 23.092 5.379 1.00 0.00 H new ATOM 0 HD1 PHE A 15 49.439 21.996 1.954 1.00 0.00 H new ATOM 0 HD2 PHE A 15 48.790 21.829 6.198 1.00 0.00 H new ATOM 0 HE1 PHE A 15 47.549 20.430 1.604 1.00 0.00 H new ATOM 0 HE2 PHE A 15 46.901 20.260 5.846 1.00 0.00 H new ATOM 0 HZ PHE A 15 46.278 19.565 3.549 1.00 0.00 H new ATOM 236 N ARG A 16 49.815 25.877 5.508 1.00 0.00 N ATOM 237 CA ARG A 16 49.073 26.696 6.460 1.00 0.00 C ATOM 238 C ARG A 16 48.388 27.854 5.745 1.00 0.00 C ATOM 239 O ARG A 16 47.246 28.196 6.048 1.00 0.00 O ATOM 240 CB ARG A 16 50.012 27.240 7.539 1.00 0.00 C ATOM 241 CG ARG A 16 49.202 28.053 8.553 1.00 0.00 C ATOM 242 CD ARG A 16 49.954 28.118 9.885 1.00 0.00 C ATOM 243 NE ARG A 16 49.031 28.438 10.968 1.00 0.00 N ATOM 244 CZ ARG A 16 49.458 29.013 12.088 1.00 0.00 C ATOM 245 NH1 ARG A 16 50.721 29.309 12.227 1.00 0.00 N ATOM 246 NH2 ARG A 16 48.615 29.284 13.045 1.00 0.00 N ATOM 0 H ARG A 16 50.830 25.934 5.594 1.00 0.00 H new ATOM 0 HA ARG A 16 48.314 26.071 6.930 1.00 0.00 H new ATOM 0 HB2 ARG A 16 50.523 26.418 8.040 1.00 0.00 H new ATOM 0 HB3 ARG A 16 50.781 27.865 7.086 1.00 0.00 H new ATOM 0 HG2 ARG A 16 49.031 29.060 8.172 1.00 0.00 H new ATOM 0 HG3 ARG A 16 48.223 27.597 8.700 1.00 0.00 H new ATOM 0 HD2 ARG A 16 50.442 27.163 10.083 1.00 0.00 H new ATOM 0 HD3 ARG A 16 50.739 28.872 9.832 1.00 0.00 H new ATOM 0 HE ARG A 16 48.041 28.217 10.864 1.00 0.00 H new ATOM 0 HH11 ARG A 16 51.380 29.099 11.477 1.00 0.00 H new ATOM 0 HH12 ARG A 16 51.050 29.750 13.086 1.00 0.00 H new ATOM 0 HH21 ARG A 16 47.627 29.055 12.935 1.00 0.00 H new ATOM 0 HH22 ARG A 16 48.943 29.725 13.904 1.00 0.00 H new ATOM 260 N ARG A 17 49.093 28.451 4.789 1.00 0.00 N ATOM 261 CA ARG A 17 48.536 29.565 4.034 1.00 0.00 C ATOM 262 C ARG A 17 47.523 29.055 3.016 1.00 0.00 C ATOM 263 O ARG A 17 46.452 29.636 2.846 1.00 0.00 O ATOM 264 CB ARG A 17 49.652 30.323 3.312 1.00 0.00 C ATOM 265 CG ARG A 17 49.113 31.660 2.799 1.00 0.00 C ATOM 266 CD ARG A 17 49.673 32.800 3.653 1.00 0.00 C ATOM 267 NE ARG A 17 48.935 34.032 3.396 1.00 0.00 N ATOM 268 CZ ARG A 17 49.513 35.222 3.533 1.00 0.00 C ATOM 269 NH1 ARG A 17 50.765 35.301 3.893 1.00 0.00 N ATOM 270 NH2 ARG A 17 48.830 36.311 3.305 1.00 0.00 N ATOM 0 H ARG A 17 50.041 28.185 4.522 1.00 0.00 H new ATOM 0 HA ARG A 17 48.036 30.240 4.729 1.00 0.00 H new ATOM 0 HB2 ARG A 17 50.489 30.492 3.990 1.00 0.00 H new ATOM 0 HB3 ARG A 17 50.031 29.729 2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 17 49.395 31.801 1.756 1.00 0.00 H new ATOM 0 HG3 ARG A 17 48.024 31.664 2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 17 49.604 32.540 4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 17 50.730 32.947 3.429 1.00 0.00 H new ATOM 0 HE ARG A 17 47.958 33.980 3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 17 51.300 34.450 4.069 1.00 0.00 H new ATOM 0 HH12 ARG A 17 51.209 36.213 3.998 1.00 0.00 H new ATOM 0 HH21 ARG A 17 47.852 36.250 3.022 1.00 0.00 H new ATOM 0 HH22 ARG A 17 49.274 37.223 3.410 1.00 0.00 H new ATOM 284 N ILE A 18 47.869 27.960 2.346 1.00 0.00 N ATOM 285 CA ILE A 18 46.980 27.373 1.349 1.00 0.00 C ATOM 286 C ILE A 18 45.638 27.009 1.981 1.00 0.00 C ATOM 287 O ILE A 18 44.591 27.103 1.344 1.00 0.00 O ATOM 288 CB ILE A 18 47.626 26.122 0.751 1.00 0.00 C ATOM 289 CG1 ILE A 18 48.597 26.534 -0.358 1.00 0.00 C ATOM 290 CG2 ILE A 18 46.544 25.214 0.166 1.00 0.00 C ATOM 291 CD1 ILE A 18 49.266 25.290 -0.942 1.00 0.00 C ATOM 0 H ILE A 18 48.751 27.464 2.474 1.00 0.00 H new ATOM 0 HA ILE A 18 46.809 28.104 0.559 1.00 0.00 H new ATOM 0 HB ILE A 18 48.166 25.585 1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 18 48.063 27.074 -1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 18 49.352 27.213 0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 18 47.007 24.324 -0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 18 45.850 24.921 0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 18 46.003 25.749 -0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 18 49.957 25.585 -1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 18 49.814 24.769 -0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 18 48.505 24.628 -1.355 1.00 0.00 H new ATOM 303 N PHE A 19 45.686 26.606 3.246 1.00 0.00 N ATOM 304 CA PHE A 19 44.483 26.238 3.980 1.00 0.00 C ATOM 305 C PHE A 19 43.676 27.489 4.296 1.00 0.00 C ATOM 306 O PHE A 19 42.484 27.567 4.002 1.00 0.00 O ATOM 307 CB PHE A 19 44.855 25.523 5.281 1.00 0.00 C ATOM 308 CG PHE A 19 43.618 24.900 5.885 1.00 0.00 C ATOM 309 CD1 PHE A 19 42.893 23.940 5.169 1.00 0.00 C ATOM 310 CD2 PHE A 19 43.196 25.284 7.164 1.00 0.00 C ATOM 311 CE1 PHE A 19 41.746 23.366 5.731 1.00 0.00 C ATOM 312 CE2 PHE A 19 42.051 24.708 7.726 1.00 0.00 C ATOM 313 CZ PHE A 19 41.325 23.750 7.008 1.00 0.00 C ATOM 0 H PHE A 19 46.548 26.526 3.785 1.00 0.00 H new ATOM 0 HA PHE A 19 43.886 25.564 3.366 1.00 0.00 H new ATOM 0 HB2 PHE A 19 45.603 24.755 5.085 1.00 0.00 H new ATOM 0 HB3 PHE A 19 45.299 26.229 5.983 1.00 0.00 H new ATOM 0 HD1 PHE A 19 43.218 23.642 4.183 1.00 0.00 H new ATOM 0 HD2 PHE A 19 43.754 26.025 7.717 1.00 0.00 H new ATOM 0 HE1 PHE A 19 41.186 22.626 5.178 1.00 0.00 H new ATOM 0 HE2 PHE A 19 41.727 25.002 8.713 1.00 0.00 H new ATOM 0 HZ PHE A 19 40.440 23.308 7.440 1.00 0.00 H new ATOM 323 N ILE A 20 44.350 28.478 4.877 1.00 0.00 N ATOM 324 CA ILE A 20 43.702 29.737 5.207 1.00 0.00 C ATOM 325 C ILE A 20 43.159 30.366 3.934 1.00 0.00 C ATOM 326 O ILE A 20 42.027 30.850 3.895 1.00 0.00 O ATOM 327 CB ILE A 20 44.708 30.684 5.865 1.00 0.00 C ATOM 328 CG1 ILE A 20 44.926 30.270 7.322 1.00 0.00 C ATOM 329 CG2 ILE A 20 44.172 32.116 5.818 1.00 0.00 C ATOM 330 CD1 ILE A 20 43.818 30.867 8.193 1.00 0.00 C ATOM 0 H ILE A 20 45.338 28.430 5.126 1.00 0.00 H new ATOM 0 HA ILE A 20 42.883 29.554 5.903 1.00 0.00 H new ATOM 0 HB ILE A 20 45.655 30.633 5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 20 44.924 29.183 7.407 1.00 0.00 H new ATOM 0 HG13 ILE A 20 45.901 30.615 7.667 1.00 0.00 H new ATOM 0 HG21 ILE A 20 44.890 32.789 6.287 1.00 0.00 H new ATOM 0 HG22 ILE A 20 44.020 32.414 4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 20 43.224 32.167 6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 20 43.973 30.572 9.231 1.00 0.00 H new ATOM 0 HD12 ILE A 20 43.841 31.954 8.117 1.00 0.00 H new ATOM 0 HD13 ILE A 20 42.850 30.500 7.852 1.00 0.00 H new ATOM 342 N THR A 21 43.978 30.339 2.887 1.00 0.00 N ATOM 343 CA THR A 21 43.582 30.889 1.602 1.00 0.00 C ATOM 344 C THR A 21 42.587 29.962 0.915 1.00 0.00 C ATOM 345 O THR A 21 41.642 30.421 0.273 1.00 0.00 O ATOM 346 CB THR A 21 44.811 31.082 0.709 1.00 0.00 C ATOM 347 OG1 THR A 21 45.651 29.943 0.809 1.00 0.00 O ATOM 348 CG2 THR A 21 45.578 32.328 1.154 1.00 0.00 C ATOM 0 H THR A 21 44.917 29.942 2.906 1.00 0.00 H new ATOM 0 HA THR A 21 43.108 31.856 1.770 1.00 0.00 H new ATOM 0 HB THR A 21 44.492 31.207 -0.326 1.00 0.00 H new ATOM 0 HG1 THR A 21 46.162 29.986 1.644 1.00 0.00 H new ATOM 0 HG21 THR A 21 46.452 32.464 0.517 1.00 0.00 H new ATOM 0 HG22 THR A 21 44.931 33.202 1.073 1.00 0.00 H new ATOM 0 HG23 THR A 21 45.898 32.208 2.189 1.00 0.00 H new ATOM 356 N TYR A 22 42.796 28.652 1.050 1.00 0.00 N ATOM 357 CA TYR A 22 41.890 27.693 0.429 1.00 0.00 C ATOM 358 C TYR A 22 40.470 27.938 0.918 1.00 0.00 C ATOM 359 O TYR A 22 39.537 28.062 0.125 1.00 0.00 O ATOM 360 CB TYR A 22 42.313 26.262 0.767 1.00 0.00 C ATOM 361 CG TYR A 22 41.159 25.320 0.521 1.00 0.00 C ATOM 362 CD1 TYR A 22 40.364 25.474 -0.619 1.00 0.00 C ATOM 363 CD2 TYR A 22 40.886 24.291 1.432 1.00 0.00 C ATOM 364 CE1 TYR A 22 39.296 24.600 -0.851 1.00 0.00 C ATOM 365 CE2 TYR A 22 39.818 23.416 1.199 1.00 0.00 C ATOM 366 CZ TYR A 22 39.022 23.570 0.058 1.00 0.00 C ATOM 367 OH TYR A 22 37.970 22.709 -0.172 1.00 0.00 O ATOM 0 H TYR A 22 43.569 28.239 1.573 1.00 0.00 H new ATOM 0 HA TYR A 22 41.930 27.823 -0.652 1.00 0.00 H new ATOM 0 HB2 TYR A 22 43.169 25.972 0.157 1.00 0.00 H new ATOM 0 HB3 TYR A 22 42.629 26.202 1.809 1.00 0.00 H new ATOM 0 HD1 TYR A 22 40.574 26.268 -1.321 1.00 0.00 H new ATOM 0 HD2 TYR A 22 41.499 24.173 2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 22 38.682 24.720 -1.732 1.00 0.00 H new ATOM 0 HE2 TYR A 22 39.608 22.622 1.900 1.00 0.00 H new ATOM 0 HH TYR A 22 37.920 22.053 0.554 1.00 0.00 H new ATOM 377 N MET A 23 40.321 28.022 2.235 1.00 0.00 N ATOM 378 CA MET A 23 39.019 28.270 2.834 1.00 0.00 C ATOM 379 C MET A 23 38.554 29.681 2.498 1.00 0.00 C ATOM 380 O MET A 23 37.355 29.958 2.455 1.00 0.00 O ATOM 381 CB MET A 23 39.102 28.103 4.353 1.00 0.00 C ATOM 382 CG MET A 23 37.750 28.449 4.982 1.00 0.00 C ATOM 383 SD MET A 23 37.927 29.919 6.022 1.00 0.00 S ATOM 384 CE MET A 23 36.256 29.909 6.716 1.00 0.00 C ATOM 0 H MET A 23 41.084 27.922 2.905 1.00 0.00 H new ATOM 0 HA MET A 23 38.303 27.552 2.434 1.00 0.00 H new ATOM 0 HB2 MET A 23 39.379 27.078 4.602 1.00 0.00 H new ATOM 0 HB3 MET A 23 39.879 28.751 4.758 1.00 0.00 H new ATOM 0 HG2 MET A 23 37.010 28.629 4.203 1.00 0.00 H new ATOM 0 HG3 MET A 23 37.389 27.611 5.577 1.00 0.00 H new ATOM 0 HE1 MET A 23 36.141 30.749 7.401 1.00 0.00 H new ATOM 0 HE2 MET A 23 35.527 29.996 5.910 1.00 0.00 H new ATOM 0 HE3 MET A 23 36.092 28.976 7.255 1.00 0.00 H new ATOM 394 N ASP A 24 39.514 30.572 2.265 1.00 0.00 N ATOM 395 CA ASP A 24 39.188 31.958 1.938 1.00 0.00 C ATOM 396 C ASP A 24 38.361 32.034 0.658 1.00 0.00 C ATOM 397 O ASP A 24 37.471 32.875 0.532 1.00 0.00 O ATOM 398 CB ASP A 24 40.470 32.775 1.765 1.00 0.00 C ATOM 399 CG ASP A 24 40.127 34.251 1.594 1.00 0.00 C ATOM 400 OD1 ASP A 24 39.734 34.865 2.572 1.00 0.00 O ATOM 401 OD2 ASP A 24 40.260 34.746 0.486 1.00 0.00 O ATOM 0 H ASP A 24 40.512 30.364 2.296 1.00 0.00 H new ATOM 0 HA ASP A 24 38.602 32.370 2.760 1.00 0.00 H new ATOM 0 HB2 ASP A 24 41.116 32.641 2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 24 41.024 32.419 0.897 1.00 0.00 H new ATOM 826 N LEU A 51 8.166 14.323 -1.369 1.00 0.00 N ATOM 827 CA LEU A 51 7.148 13.942 -0.396 1.00 0.00 C ATOM 828 C LEU A 51 5.950 13.297 -1.087 1.00 0.00 C ATOM 829 O LEU A 51 5.378 12.331 -0.583 1.00 0.00 O ATOM 830 CB LEU A 51 6.686 15.176 0.382 1.00 0.00 C ATOM 831 CG LEU A 51 5.740 14.750 1.508 1.00 0.00 C ATOM 832 CD1 LEU A 51 6.555 14.291 2.717 1.00 0.00 C ATOM 833 CD2 LEU A 51 4.862 15.937 1.908 1.00 0.00 C ATOM 0 HA LEU A 51 7.585 13.217 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.547 15.701 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.180 15.872 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 51 5.112 13.929 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.880 13.988 3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.183 13.446 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.184 15.111 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.187 15.637 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.493 16.756 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.279 16.265 1.047 1.00 0.00 H new ATOM 845 N TYR A 52 5.574 13.838 -2.242 1.00 0.00 N ATOM 846 CA TYR A 52 4.439 13.307 -2.992 1.00 0.00 C ATOM 847 C TYR A 52 4.753 11.915 -3.531 1.00 0.00 C ATOM 848 O TYR A 52 3.907 11.021 -3.496 1.00 0.00 O ATOM 849 CB TYR A 52 4.098 14.241 -4.155 1.00 0.00 C ATOM 850 CG TYR A 52 2.603 14.442 -4.220 1.00 0.00 C ATOM 851 CD1 TYR A 52 1.760 13.356 -4.487 1.00 0.00 C ATOM 852 CD2 TYR A 52 2.060 15.715 -4.013 1.00 0.00 C ATOM 853 CE1 TYR A 52 0.375 13.544 -4.548 1.00 0.00 C ATOM 854 CE2 TYR A 52 0.675 15.903 -4.074 1.00 0.00 C ATOM 855 CZ TYR A 52 -0.169 14.817 -4.340 1.00 0.00 C ATOM 856 OH TYR A 52 -1.535 15.003 -4.400 1.00 0.00 O ATOM 0 H TYR A 52 6.034 14.638 -2.677 1.00 0.00 H new ATOM 0 HA TYR A 52 3.585 13.238 -2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.599 15.200 -4.024 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.460 13.818 -5.092 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.179 12.373 -4.646 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.710 16.552 -3.806 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.275 12.707 -4.756 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.256 16.886 -3.916 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.745 15.945 -4.231 1.00 0.00 H new ATOM 866 N LEU A 53 5.970 11.739 -4.033 1.00 0.00 N ATOM 867 CA LEU A 53 6.381 10.451 -4.580 1.00 0.00 C ATOM 868 C LEU A 53 6.336 9.370 -3.505 1.00 0.00 C ATOM 869 O LEU A 53 5.964 8.228 -3.776 1.00 0.00 O ATOM 870 CB LEU A 53 7.799 10.556 -5.146 1.00 0.00 C ATOM 871 CG LEU A 53 8.351 9.153 -5.407 1.00 0.00 C ATOM 872 CD1 LEU A 53 9.297 9.191 -6.609 1.00 0.00 C ATOM 873 CD2 LEU A 53 9.116 8.670 -4.173 1.00 0.00 C ATOM 0 H LEU A 53 6.685 12.466 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 53 5.690 10.178 -5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.791 11.133 -6.071 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.443 11.087 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 53 7.526 8.471 -5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.690 8.191 -6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.754 9.536 -7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.122 9.872 -6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.510 7.671 -4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.940 9.352 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.443 8.643 -3.316 1.00 0.00 H new ATOM 885 N MET A 54 6.718 9.736 -2.286 1.00 0.00 N ATOM 886 CA MET A 54 6.718 8.786 -1.179 1.00 0.00 C ATOM 887 C MET A 54 5.300 8.310 -0.883 1.00 0.00 C ATOM 888 O MET A 54 5.082 7.142 -0.559 1.00 0.00 O ATOM 889 CB MET A 54 7.309 9.440 0.071 1.00 0.00 C ATOM 890 CG MET A 54 7.535 8.373 1.146 1.00 0.00 C ATOM 891 SD MET A 54 7.711 9.170 2.761 1.00 0.00 S ATOM 892 CE MET A 54 9.024 8.100 3.400 1.00 0.00 C ATOM 0 H MET A 54 7.029 10.676 -2.040 1.00 0.00 H new ATOM 0 HA MET A 54 7.327 7.927 -1.462 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.251 9.931 -0.173 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.635 10.211 0.444 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.698 7.675 1.162 1.00 0.00 H new ATOM 0 HG3 MET A 54 8.429 7.793 0.916 1.00 0.00 H new ATOM 0 HE1 MET A 54 9.295 8.418 4.407 1.00 0.00 H new ATOM 0 HE2 MET A 54 8.672 7.069 3.427 1.00 0.00 H new ATOM 0 HE3 MET A 54 9.897 8.168 2.751 1.00 0.00 H new ATOM 902 N VAL A 55 4.341 9.221 -0.993 1.00 0.00 N ATOM 903 CA VAL A 55 2.948 8.881 -0.734 1.00 0.00 C ATOM 904 C VAL A 55 2.396 8.001 -1.851 1.00 0.00 C ATOM 905 O VAL A 55 2.117 6.820 -1.642 1.00 0.00 O ATOM 906 CB VAL A 55 2.112 10.155 -0.621 1.00 0.00 C ATOM 907 CG1 VAL A 55 0.674 9.792 -0.244 1.00 0.00 C ATOM 908 CG2 VAL A 55 2.709 11.060 0.460 1.00 0.00 C ATOM 0 H VAL A 55 4.500 10.193 -1.258 1.00 0.00 H new ATOM 0 HA VAL A 55 2.895 8.330 0.205 1.00 0.00 H new ATOM 0 HB VAL A 55 2.115 10.678 -1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.078 10.701 -0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.248 9.146 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.669 9.270 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.114 11.970 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.705 10.536 1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.733 11.319 0.192 1.00 0.00 H new ATOM 918 N MET A 56 2.241 8.581 -3.037 1.00 0.00 N ATOM 919 CA MET A 56 1.724 7.829 -4.175 1.00 0.00 C ATOM 920 C MET A 56 2.168 6.374 -4.090 1.00 0.00 C ATOM 921 O MET A 56 1.349 5.473 -3.907 1.00 0.00 O ATOM 922 CB MET A 56 2.229 8.443 -5.483 1.00 0.00 C ATOM 923 CG MET A 56 1.322 8.007 -6.635 1.00 0.00 C ATOM 924 SD MET A 56 1.716 6.305 -7.102 1.00 0.00 S ATOM 925 CE MET A 56 2.288 6.656 -8.783 1.00 0.00 C ATOM 0 H MET A 56 2.463 9.557 -3.234 1.00 0.00 H new ATOM 0 HA MET A 56 0.635 7.872 -4.154 1.00 0.00 H new ATOM 0 HB2 MET A 56 2.240 9.530 -5.406 1.00 0.00 H new ATOM 0 HB3 MET A 56 3.254 8.126 -5.674 1.00 0.00 H new ATOM 0 HG2 MET A 56 0.276 8.081 -6.336 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.457 8.670 -7.489 1.00 0.00 H new ATOM 0 HE1 MET A 56 2.587 5.726 -9.267 1.00 0.00 H new ATOM 0 HE2 MET A 56 1.482 7.118 -9.353 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.140 7.335 -8.743 1.00 0.00 H new ATOM 935 N ILE A 57 3.473 6.153 -4.215 1.00 0.00 N ATOM 936 CA ILE A 57 4.019 4.804 -4.140 1.00 0.00 C ATOM 937 C ILE A 57 3.611 4.146 -2.828 1.00 0.00 C ATOM 938 O ILE A 57 3.258 2.966 -2.794 1.00 0.00 O ATOM 939 CB ILE A 57 5.544 4.851 -4.240 1.00 0.00 C ATOM 940 CG1 ILE A 57 5.954 5.550 -5.543 1.00 0.00 C ATOM 941 CG2 ILE A 57 6.104 3.428 -4.220 1.00 0.00 C ATOM 942 CD1 ILE A 57 5.466 4.742 -6.751 1.00 0.00 C ATOM 0 H ILE A 57 4.167 6.885 -4.368 1.00 0.00 H new ATOM 0 HA ILE A 57 3.623 4.219 -4.970 1.00 0.00 H new ATOM 0 HB ILE A 57 5.944 5.407 -3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.533 6.555 -5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.038 5.657 -5.582 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.191 3.464 -4.291 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.817 2.937 -3.290 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.703 2.867 -5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.762 5.247 -7.670 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.908 3.746 -6.725 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.380 4.657 -6.717 1.00 0.00 H new ATOM 954 N GLY A 58 3.654 4.921 -1.747 1.00 0.00 N ATOM 955 CA GLY A 58 3.278 4.406 -0.436 1.00 0.00 C ATOM 956 C GLY A 58 1.856 3.863 -0.466 1.00 0.00 C ATOM 957 O GLY A 58 1.550 2.855 0.171 1.00 0.00 O ATOM 0 H GLY A 58 3.943 5.899 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.969 3.618 -0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.356 5.198 0.309 1.00 0.00 H new ATOM 961 N MET A 59 0.989 4.537 -1.216 1.00 0.00 N ATOM 962 CA MET A 59 -0.400 4.112 -1.332 1.00 0.00 C ATOM 963 C MET A 59 -0.482 2.789 -2.084 1.00 0.00 C ATOM 964 O MET A 59 -1.220 1.885 -1.693 1.00 0.00 O ATOM 965 CB MET A 59 -1.211 5.176 -2.075 1.00 0.00 C ATOM 966 CG MET A 59 -1.669 6.251 -1.088 1.00 0.00 C ATOM 967 SD MET A 59 -2.781 5.514 0.134 1.00 0.00 S ATOM 968 CE MET A 59 -3.541 7.053 0.707 1.00 0.00 C ATOM 0 H MET A 59 1.223 5.375 -1.749 1.00 0.00 H new ATOM 0 HA MET A 59 -0.811 3.980 -0.331 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.606 5.625 -2.863 1.00 0.00 H new ATOM 0 HB3 MET A 59 -2.075 4.719 -2.558 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.806 6.694 -0.590 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.178 7.055 -1.620 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.276 6.830 1.481 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.772 7.709 1.115 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.034 7.549 -0.129 1.00 0.00 H new ATOM 978 N PHE A 60 0.288 2.683 -3.161 1.00 0.00 N ATOM 979 CA PHE A 60 0.305 1.465 -3.961 1.00 0.00 C ATOM 980 C PHE A 60 0.804 0.291 -3.127 1.00 0.00 C ATOM 981 O PHE A 60 0.217 -0.791 -3.144 1.00 0.00 O ATOM 982 CB PHE A 60 1.213 1.652 -5.177 1.00 0.00 C ATOM 983 CG PHE A 60 0.711 0.805 -6.321 1.00 0.00 C ATOM 984 CD1 PHE A 60 0.859 -0.586 -6.279 1.00 0.00 C ATOM 985 CD2 PHE A 60 0.099 1.412 -7.425 1.00 0.00 C ATOM 986 CE1 PHE A 60 0.395 -1.371 -7.341 1.00 0.00 C ATOM 987 CE2 PHE A 60 -0.365 0.626 -8.487 1.00 0.00 C ATOM 988 CZ PHE A 60 -0.217 -0.765 -8.445 1.00 0.00 C ATOM 0 H PHE A 60 0.905 3.421 -3.499 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.711 1.255 -4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.233 2.702 -5.470 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.236 1.372 -4.926 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.331 -1.054 -5.428 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.015 2.485 -7.457 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.509 -2.444 -7.309 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.837 1.093 -9.339 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.575 -1.371 -9.264 1.00 0.00 H new ATOM 998 N SER A 61 1.892 0.515 -2.397 1.00 0.00 N ATOM 999 CA SER A 61 2.464 -0.529 -1.555 1.00 0.00 C ATOM 1000 C SER A 61 1.410 -1.081 -0.600 1.00 0.00 C ATOM 1001 O SER A 61 1.430 -2.262 -0.253 1.00 0.00 O ATOM 1002 CB SER A 61 3.639 0.032 -0.755 1.00 0.00 C ATOM 1003 OG SER A 61 4.306 1.021 -1.529 1.00 0.00 O ATOM 0 H SER A 61 2.392 1.404 -2.371 1.00 0.00 H new ATOM 0 HA SER A 61 2.816 -1.337 -2.196 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.283 0.465 0.180 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.331 -0.769 -0.493 1.00 0.00 H new ATOM 0 HG SER A 61 3.758 1.832 -1.566 1.00 0.00 H new ATOM 1009 N PHE A 62 0.491 -0.217 -0.180 1.00 0.00 N ATOM 1010 CA PHE A 62 -0.568 -0.627 0.734 1.00 0.00 C ATOM 1011 C PHE A 62 -1.664 -1.375 -0.017 1.00 0.00 C ATOM 1012 O PHE A 62 -2.246 -2.328 0.501 1.00 0.00 O ATOM 1013 CB PHE A 62 -1.165 0.601 1.424 1.00 0.00 C ATOM 1014 CG PHE A 62 -1.665 0.215 2.795 1.00 0.00 C ATOM 1015 CD1 PHE A 62 -0.752 -0.011 3.834 1.00 0.00 C ATOM 1016 CD2 PHE A 62 -3.038 0.083 3.029 1.00 0.00 C ATOM 1017 CE1 PHE A 62 -1.215 -0.369 5.106 1.00 0.00 C ATOM 1018 CE2 PHE A 62 -3.501 -0.275 4.301 1.00 0.00 C ATOM 1019 CZ PHE A 62 -2.589 -0.501 5.339 1.00 0.00 C ATOM 0 H PHE A 62 0.458 0.764 -0.456 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.139 -1.292 1.483 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.413 1.386 1.507 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.983 1.005 0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.308 0.091 3.654 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.741 0.257 2.228 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.512 -0.543 5.907 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.561 -0.377 4.481 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.946 -0.777 6.320 1.00 0.00 H new ATOM 1029 N ILE A 63 -1.941 -0.937 -1.241 1.00 0.00 N ATOM 1030 CA ILE A 63 -2.972 -1.572 -2.055 1.00 0.00 C ATOM 1031 C ILE A 63 -2.693 -3.064 -2.212 1.00 0.00 C ATOM 1032 O ILE A 63 -3.583 -3.895 -2.034 1.00 0.00 O ATOM 1033 CB ILE A 63 -3.026 -0.913 -3.435 1.00 0.00 C ATOM 1034 CG1 ILE A 63 -3.661 0.473 -3.313 1.00 0.00 C ATOM 1035 CG2 ILE A 63 -3.865 -1.776 -4.380 1.00 0.00 C ATOM 1036 CD1 ILE A 63 -3.753 1.118 -4.697 1.00 0.00 C ATOM 0 H ILE A 63 -1.470 -0.151 -1.689 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.931 -1.446 -1.553 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.015 -0.817 -3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.654 0.392 -2.872 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.067 1.099 -2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.904 -1.307 -5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.414 -2.764 -4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.876 -1.872 -3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.206 2.106 -4.609 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.753 1.214 -5.121 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.366 0.495 -5.349 1.00 0.00 H new ATOM 1048 N ILE A 64 -1.452 -3.396 -2.551 1.00 0.00 N ATOM 1049 CA ILE A 64 -1.065 -4.791 -2.732 1.00 0.00 C ATOM 1050 C ILE A 64 -1.027 -5.517 -1.390 1.00 0.00 C ATOM 1051 O ILE A 64 -1.275 -6.721 -1.317 1.00 0.00 O ATOM 1052 CB ILE A 64 0.311 -4.866 -3.395 1.00 0.00 C ATOM 1053 CG1 ILE A 64 1.304 -4.016 -2.597 1.00 0.00 C ATOM 1054 CG2 ILE A 64 0.219 -4.330 -4.826 1.00 0.00 C ATOM 1055 CD1 ILE A 64 2.732 -4.372 -3.015 1.00 0.00 C ATOM 0 H ILE A 64 -0.701 -2.723 -2.705 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.804 -5.275 -3.371 1.00 0.00 H new ATOM 0 HB ILE A 64 0.649 -5.902 -3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.116 -2.957 -2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.172 -4.190 -1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.200 -4.384 -5.298 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.491 -4.931 -5.395 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.118 -3.293 -4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.439 -3.767 -2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.917 -5.428 -2.817 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.859 -4.175 -4.079 1.00 0.00 H new ATOM 1067 N VAL A 65 -0.714 -4.778 -0.331 1.00 0.00 N ATOM 1068 CA VAL A 65 -0.644 -5.360 1.004 1.00 0.00 C ATOM 1069 C VAL A 65 -2.037 -5.721 1.509 1.00 0.00 C ATOM 1070 O VAL A 65 -2.244 -6.795 2.074 1.00 0.00 O ATOM 1071 CB VAL A 65 0.008 -4.370 1.971 1.00 0.00 C ATOM 1072 CG1 VAL A 65 -0.125 -4.891 3.403 1.00 0.00 C ATOM 1073 CG2 VAL A 65 1.488 -4.215 1.621 1.00 0.00 C ATOM 0 H VAL A 65 -0.506 -3.780 -0.370 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.044 -6.268 0.951 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.488 -3.403 1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.340 -4.185 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.180 -5.001 3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.370 -5.858 3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.953 -3.510 2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.984 -5.182 1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.584 -3.843 0.601 1.00 0.00 H new ATOM 1083 N ALA A 66 -2.989 -4.816 1.304 1.00 0.00 N ATOM 1084 CA ALA A 66 -4.359 -5.047 1.746 1.00 0.00 C ATOM 1085 C ALA A 66 -4.922 -6.319 1.119 1.00 0.00 C ATOM 1086 O ALA A 66 -5.645 -7.075 1.768 1.00 0.00 O ATOM 1087 CB ALA A 66 -5.237 -3.854 1.362 1.00 0.00 C ATOM 0 H ALA A 66 -2.838 -3.921 0.838 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.356 -5.164 2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.259 -4.033 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.853 -2.952 1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.225 -3.727 0.280 1.00 0.00 H new ATOM 1093 N ILE A 67 -4.589 -6.547 -0.146 1.00 0.00 N ATOM 1094 CA ILE A 67 -5.068 -7.730 -0.852 1.00 0.00 C ATOM 1095 C ILE A 67 -4.475 -8.999 -0.244 1.00 0.00 C ATOM 1096 O ILE A 67 -5.183 -9.981 -0.025 1.00 0.00 O ATOM 1097 CB ILE A 67 -4.691 -7.637 -2.334 1.00 0.00 C ATOM 1098 CG1 ILE A 67 -5.781 -6.873 -3.087 1.00 0.00 C ATOM 1099 CG2 ILE A 67 -4.556 -9.044 -2.924 1.00 0.00 C ATOM 1100 CD1 ILE A 67 -6.922 -7.828 -3.443 1.00 0.00 C ATOM 0 H ILE A 67 -3.993 -5.933 -0.701 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.153 -7.776 -0.756 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.740 -7.113 -2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.156 -6.054 -2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.369 -6.429 -3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.288 -8.972 -3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.780 -9.590 -2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.504 -9.572 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.699 -7.283 -3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.541 -8.631 -4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.341 -8.251 -2.530 1.00 0.00 H new ATOM 1112 N LEU A 68 -3.173 -8.970 0.022 1.00 0.00 N ATOM 1113 CA LEU A 68 -2.498 -10.126 0.602 1.00 0.00 C ATOM 1114 C LEU A 68 -3.077 -10.459 1.974 1.00 0.00 C ATOM 1115 O LEU A 68 -3.350 -11.620 2.277 1.00 0.00 O ATOM 1116 CB LEU A 68 -1.000 -9.840 0.733 1.00 0.00 C ATOM 1117 CG LEU A 68 -0.349 -9.882 -0.651 1.00 0.00 C ATOM 1118 CD1 LEU A 68 1.010 -9.177 -0.603 1.00 0.00 C ATOM 1119 CD2 LEU A 68 -0.152 -11.340 -1.075 1.00 0.00 C ATOM 0 H LEU A 68 -2.569 -8.167 -0.153 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.651 -10.980 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.844 -8.863 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.534 -10.576 1.388 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.993 -9.375 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.471 -9.209 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.871 -8.139 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.656 -9.681 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.312 -11.373 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.491 -11.845 -0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.119 -11.842 -1.112 1.00 0.00 H new ATOM 1131 N VAL A 69 -3.262 -9.434 2.799 1.00 0.00 N ATOM 1132 CA VAL A 69 -3.809 -9.630 4.138 1.00 0.00 C ATOM 1133 C VAL A 69 -5.235 -10.171 4.067 1.00 0.00 C ATOM 1134 O VAL A 69 -5.628 -11.018 4.868 1.00 0.00 O ATOM 1135 CB VAL A 69 -3.801 -8.308 4.906 1.00 0.00 C ATOM 1136 CG1 VAL A 69 -4.391 -8.524 6.300 1.00 0.00 C ATOM 1137 CG2 VAL A 69 -2.361 -7.804 5.036 1.00 0.00 C ATOM 0 H VAL A 69 -3.043 -8.465 2.567 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.185 -10.356 4.658 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.399 -7.572 4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.385 -7.582 6.848 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.416 -8.885 6.210 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.793 -9.260 6.838 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.353 -6.861 5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.765 -8.541 5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.938 -7.650 4.043 1.00 0.00 H new ATOM 1147 N SER A 70 -6.003 -9.670 3.106 1.00 0.00 N ATOM 1148 CA SER A 70 -7.385 -10.106 2.937 1.00 0.00 C ATOM 1149 C SER A 70 -7.423 -11.554 2.471 1.00 0.00 C ATOM 1150 O SER A 70 -8.205 -12.362 2.972 1.00 0.00 O ATOM 1151 CB SER A 70 -8.094 -9.217 1.915 1.00 0.00 C ATOM 1152 OG SER A 70 -8.311 -7.932 2.481 1.00 0.00 O ATOM 0 H SER A 70 -5.695 -8.966 2.436 1.00 0.00 H new ATOM 0 HA SER A 70 -7.897 -10.026 3.896 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.492 -9.132 1.010 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.045 -9.664 1.624 1.00 0.00 H new ATOM 0 HG SER A 70 -7.509 -7.382 2.360 1.00 0.00 H new ATOM 1158 N THR A 71 -6.561 -11.874 1.517 1.00 0.00 N ATOM 1159 CA THR A 71 -6.486 -13.229 0.995 1.00 0.00 C ATOM 1160 C THR A 71 -5.860 -14.146 2.038 1.00 0.00 C ATOM 1161 O THR A 71 -6.169 -15.336 2.104 1.00 0.00 O ATOM 1162 CB THR A 71 -5.650 -13.252 -0.287 1.00 0.00 C ATOM 1163 OG1 THR A 71 -6.320 -12.511 -1.298 1.00 0.00 O ATOM 1164 CG2 THR A 71 -5.463 -14.698 -0.751 1.00 0.00 C ATOM 0 H THR A 71 -5.907 -11.217 1.091 1.00 0.00 H new ATOM 0 HA THR A 71 -7.493 -13.579 0.766 1.00 0.00 H new ATOM 0 HB THR A 71 -4.674 -12.807 -0.094 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.149 -11.555 -1.170 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.868 -14.713 -1.664 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.951 -15.266 0.026 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.437 -15.146 -0.946 1.00 0.00 H new ATOM 1172 N VAL A 72 -4.975 -13.577 2.854 1.00 0.00 N ATOM 1173 CA VAL A 72 -4.304 -14.348 3.896 1.00 0.00 C ATOM 1174 C VAL A 72 -5.256 -14.623 5.055 1.00 0.00 C ATOM 1175 O VAL A 72 -5.393 -15.761 5.503 1.00 0.00 O ATOM 1176 CB VAL A 72 -3.083 -13.586 4.408 1.00 0.00 C ATOM 1177 CG1 VAL A 72 -2.678 -14.130 5.780 1.00 0.00 C ATOM 1178 CG2 VAL A 72 -1.923 -13.769 3.426 1.00 0.00 C ATOM 0 H VAL A 72 -4.708 -12.593 2.814 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.984 -15.298 3.468 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.326 -12.527 4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.807 -13.586 6.144 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.504 -14.003 6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.434 -15.189 5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.050 -13.226 3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.682 -14.829 3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.210 -13.383 2.448 1.00 0.00 H new ATOM 1188 N LYS A 73 -5.914 -13.572 5.532 1.00 0.00 N ATOM 1189 CA LYS A 73 -6.854 -13.712 6.635 1.00 0.00 C ATOM 1190 C LYS A 73 -8.084 -14.488 6.182 1.00 0.00 C ATOM 1191 O LYS A 73 -8.728 -15.170 6.978 1.00 0.00 O ATOM 1192 CB LYS A 73 -7.273 -12.332 7.150 1.00 0.00 C ATOM 1193 CG LYS A 73 -8.000 -11.570 6.042 1.00 0.00 C ATOM 1194 CD LYS A 73 -9.512 -11.696 6.239 1.00 0.00 C ATOM 1195 CE LYS A 73 -10.239 -10.893 5.158 1.00 0.00 C ATOM 1196 NZ LYS A 73 -11.678 -11.281 5.131 1.00 0.00 N ATOM 0 H LYS A 73 -5.814 -12.622 5.175 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.365 -14.259 7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.923 -12.439 8.019 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.396 -11.772 7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.707 -10.520 6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.716 -11.967 5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.809 -12.744 6.190 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.792 -11.331 7.227 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.143 -9.826 5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.784 -11.078 4.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.171 -10.735 4.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.760 -12.296 4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.108 -11.083 6.057 1.00 0.00 H new ATOM 1210 N SER A 74 -8.405 -14.376 4.896 1.00 0.00 N ATOM 1211 CA SER A 74 -9.563 -15.073 4.350 1.00 0.00 C ATOM 1212 C SER A 74 -9.505 -16.561 4.688 1.00 0.00 C ATOM 1213 O SER A 74 -10.532 -17.238 4.726 1.00 0.00 O ATOM 1214 CB SER A 74 -9.614 -14.897 2.831 1.00 0.00 C ATOM 1215 OG SER A 74 -9.840 -16.161 2.220 1.00 0.00 O ATOM 0 H SER A 74 -7.886 -13.816 4.220 1.00 0.00 H new ATOM 0 HA SER A 74 -10.461 -14.645 4.796 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.409 -14.202 2.560 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.679 -14.468 2.471 1.00 0.00 H new ATOM 0 HG SER A 74 -9.875 -16.052 1.247 1.00 0.00 H new ATOM 1471 N VAL A 89 -16.063 -15.991 -9.775 1.00 0.00 N ATOM 1472 CA VAL A 89 -16.462 -14.614 -10.045 1.00 0.00 C ATOM 1473 C VAL A 89 -17.093 -14.502 -11.429 1.00 0.00 C ATOM 1474 O VAL A 89 -18.015 -13.714 -11.641 1.00 0.00 O ATOM 1475 CB VAL A 89 -15.246 -13.691 -9.959 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -14.363 -13.890 -11.192 1.00 0.00 C ATOM 1477 CG2 VAL A 89 -15.716 -12.235 -9.900 1.00 0.00 C ATOM 0 HA VAL A 89 -17.197 -14.315 -9.298 1.00 0.00 H new ATOM 0 HB VAL A 89 -14.674 -13.928 -9.062 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -13.497 -13.231 -11.129 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -14.028 -14.926 -11.236 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -14.934 -13.654 -12.090 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -14.850 -11.575 -9.839 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -16.288 -12.001 -10.798 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -16.345 -12.091 -9.021 1.00 0.00 H new ATOM 1487 N GLU A 90 -16.588 -15.296 -12.369 1.00 0.00 N ATOM 1488 CA GLU A 90 -17.108 -15.280 -13.732 1.00 0.00 C ATOM 1489 C GLU A 90 -18.395 -16.094 -13.828 1.00 0.00 C ATOM 1490 O GLU A 90 -19.271 -15.795 -14.641 1.00 0.00 O ATOM 1491 CB GLU A 90 -16.068 -15.863 -14.692 1.00 0.00 C ATOM 1492 CG GLU A 90 -14.947 -14.846 -14.915 1.00 0.00 C ATOM 1493 CD GLU A 90 -14.989 -14.329 -16.349 1.00 0.00 C ATOM 1494 OE1 GLU A 90 -15.351 -15.098 -17.225 1.00 0.00 O ATOM 1495 OE2 GLU A 90 -14.661 -13.171 -16.551 1.00 0.00 O ATOM 0 H GLU A 90 -15.824 -15.954 -12.213 1.00 0.00 H new ATOM 0 HA GLU A 90 -17.323 -14.247 -14.005 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -15.658 -16.787 -14.283 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -16.537 -16.116 -15.643 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.054 -14.016 -14.217 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.980 -15.308 -14.715 1.00 0.00 H new ATOM 1502 N ASP A 91 -18.500 -17.126 -12.997 1.00 0.00 N ATOM 1503 CA ASP A 91 -19.680 -17.983 -13.000 1.00 0.00 C ATOM 1504 C ASP A 91 -20.872 -17.277 -12.359 1.00 0.00 C ATOM 1505 O ASP A 91 -22.023 -17.582 -12.670 1.00 0.00 O ATOM 1506 CB ASP A 91 -19.383 -19.279 -12.243 1.00 0.00 C ATOM 1507 CG ASP A 91 -20.629 -20.155 -12.198 1.00 0.00 C ATOM 1508 OD1 ASP A 91 -21.241 -20.334 -13.238 1.00 0.00 O ATOM 1509 OD2 ASP A 91 -20.954 -20.635 -11.124 1.00 0.00 O ATOM 0 H ASP A 91 -17.787 -17.388 -12.317 1.00 0.00 H new ATOM 0 HA ASP A 91 -19.931 -18.212 -14.036 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -18.569 -19.816 -12.730 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -19.053 -19.050 -11.230 1.00 0.00 H new ATOM 1514 N TRP A 92 -20.594 -16.337 -11.461 1.00 0.00 N ATOM 1515 CA TRP A 92 -21.661 -15.603 -10.788 1.00 0.00 C ATOM 1516 C TRP A 92 -22.297 -14.589 -11.734 1.00 0.00 C ATOM 1517 O TRP A 92 -23.518 -14.440 -11.769 1.00 0.00 O ATOM 1518 CB TRP A 92 -21.109 -14.878 -9.558 1.00 0.00 C ATOM 1519 CG TRP A 92 -22.217 -14.638 -8.582 1.00 0.00 C ATOM 1520 CD1 TRP A 92 -22.982 -15.605 -8.023 1.00 0.00 C ATOM 1521 CD2 TRP A 92 -22.699 -13.373 -8.042 1.00 0.00 C ATOM 1522 NE1 TRP A 92 -23.901 -15.014 -7.175 1.00 0.00 N ATOM 1523 CE2 TRP A 92 -23.767 -13.640 -7.153 1.00 0.00 C ATOM 1524 CE3 TRP A 92 -22.317 -12.033 -8.236 1.00 0.00 C ATOM 1525 CZ2 TRP A 92 -24.432 -12.614 -6.479 1.00 0.00 C ATOM 1526 CZ3 TRP A 92 -22.985 -10.999 -7.561 1.00 0.00 C ATOM 1527 CH2 TRP A 92 -24.040 -11.288 -6.684 1.00 0.00 C ATOM 0 H TRP A 92 -19.650 -16.067 -11.184 1.00 0.00 H new ATOM 0 HA TRP A 92 -22.421 -16.319 -10.475 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -20.323 -15.474 -9.093 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -20.658 -13.930 -9.853 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -22.890 -16.665 -8.209 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -24.593 -15.530 -6.632 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -21.505 -11.798 -8.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -25.243 -12.843 -5.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -22.684 -9.974 -7.718 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -24.549 -10.487 -6.168 1.00 0.00 H new ATOM 1538 N GLN A 93 -21.462 -13.892 -12.496 1.00 0.00 N ATOM 1539 CA GLN A 93 -21.954 -12.893 -13.437 1.00 0.00 C ATOM 1540 C GLN A 93 -22.932 -13.519 -14.427 1.00 0.00 C ATOM 1541 O GLN A 93 -23.865 -12.863 -14.889 1.00 0.00 O ATOM 1542 CB GLN A 93 -20.783 -12.271 -14.200 1.00 0.00 C ATOM 1543 CG GLN A 93 -21.220 -10.936 -14.807 1.00 0.00 C ATOM 1544 CD GLN A 93 -21.040 -9.814 -13.791 1.00 0.00 C ATOM 1545 OE1 GLN A 93 -20.595 -10.057 -12.668 1.00 0.00 O ATOM 1546 NE2 GLN A 93 -21.361 -8.593 -14.119 1.00 0.00 N ATOM 0 H GLN A 93 -20.448 -13.999 -12.481 1.00 0.00 H new ATOM 0 HA GLN A 93 -22.473 -12.119 -12.873 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -19.938 -12.118 -13.529 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -20.447 -12.947 -14.986 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -20.633 -10.725 -15.701 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -22.264 -10.993 -15.117 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -21.729 -8.395 -15.049 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -21.244 -7.836 -13.445 1.00 0.00 H new ATOM 1555 N GLU A 94 -22.713 -14.790 -14.744 1.00 0.00 N ATOM 1556 CA GLU A 94 -23.586 -15.493 -15.678 1.00 0.00 C ATOM 1557 C GLU A 94 -24.905 -15.840 -15.001 1.00 0.00 C ATOM 1558 O GLU A 94 -25.980 -15.621 -15.559 1.00 0.00 O ATOM 1559 CB GLU A 94 -22.908 -16.773 -16.170 1.00 0.00 C ATOM 1560 CG GLU A 94 -23.527 -17.198 -17.504 1.00 0.00 C ATOM 1561 CD GLU A 94 -23.465 -18.715 -17.646 1.00 0.00 C ATOM 1562 OE1 GLU A 94 -22.748 -19.335 -16.878 1.00 0.00 O ATOM 1563 OE2 GLU A 94 -24.135 -19.236 -18.523 1.00 0.00 O ATOM 0 H GLU A 94 -21.946 -15.351 -14.372 1.00 0.00 H new ATOM 0 HA GLU A 94 -23.782 -14.842 -16.530 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -21.837 -16.607 -16.290 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -23.027 -17.567 -15.432 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -24.562 -16.861 -17.558 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.994 -16.725 -18.329 1.00 0.00 H new ATOM 1570 N LYS A 95 -24.813 -16.372 -13.788 1.00 0.00 N ATOM 1571 CA LYS A 95 -26.003 -16.736 -13.032 1.00 0.00 C ATOM 1572 C LYS A 95 -26.726 -15.477 -12.569 1.00 0.00 C ATOM 1573 O LYS A 95 -27.932 -15.493 -12.324 1.00 0.00 O ATOM 1574 CB LYS A 95 -25.614 -17.584 -11.819 1.00 0.00 C ATOM 1575 CG LYS A 95 -26.726 -18.588 -11.516 1.00 0.00 C ATOM 1576 CD LYS A 95 -26.370 -19.944 -12.126 1.00 0.00 C ATOM 1577 CE LYS A 95 -27.607 -20.844 -12.132 1.00 0.00 C ATOM 1578 NZ LYS A 95 -27.964 -21.205 -10.731 1.00 0.00 N ATOM 0 H LYS A 95 -23.932 -16.560 -13.310 1.00 0.00 H new ATOM 0 HA LYS A 95 -26.666 -17.316 -13.673 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -24.679 -18.110 -12.015 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -25.444 -16.943 -10.954 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -26.858 -18.686 -10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -27.673 -18.232 -11.922 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -26.000 -19.811 -13.142 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -25.569 -20.413 -11.554 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -28.441 -20.331 -12.611 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -27.412 -21.745 -12.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -28.705 -21.934 -10.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -27.123 -21.572 -10.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -28.313 -20.361 -10.233 1.00 0.00 H new ATOM 1592 N TYR A 96 -25.975 -14.386 -12.454 1.00 0.00 N ATOM 1593 CA TYR A 96 -26.545 -13.115 -12.022 1.00 0.00 C ATOM 1594 C TYR A 96 -27.322 -12.466 -13.163 1.00 0.00 C ATOM 1595 O TYR A 96 -28.326 -11.789 -12.939 1.00 0.00 O ATOM 1596 CB TYR A 96 -25.431 -12.175 -11.555 1.00 0.00 C ATOM 1597 CG TYR A 96 -25.959 -10.762 -11.474 1.00 0.00 C ATOM 1598 CD1 TYR A 96 -27.089 -10.480 -10.698 1.00 0.00 C ATOM 1599 CD2 TYR A 96 -25.316 -9.734 -12.174 1.00 0.00 C ATOM 1600 CE1 TYR A 96 -27.575 -9.170 -10.621 1.00 0.00 C ATOM 1601 CE2 TYR A 96 -25.804 -8.424 -12.099 1.00 0.00 C ATOM 1602 CZ TYR A 96 -26.934 -8.142 -11.322 1.00 0.00 C ATOM 1603 OH TYR A 96 -27.414 -6.851 -11.247 1.00 0.00 O ATOM 0 H TYR A 96 -24.975 -14.356 -12.653 1.00 0.00 H new ATOM 0 HA TYR A 96 -27.228 -13.303 -11.194 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -25.060 -12.491 -10.580 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -24.590 -12.220 -12.247 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -27.586 -11.273 -10.159 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -24.443 -9.952 -12.772 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -28.446 -8.952 -10.020 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -25.309 -7.631 -12.640 1.00 0.00 H new ATOM 0 HH TYR A 96 -26.852 -6.261 -11.792 1.00 0.00 H new ATOM 1613 N LYS A 97 -26.851 -12.678 -14.388 1.00 0.00 N ATOM 1614 CA LYS A 97 -27.508 -12.110 -15.559 1.00 0.00 C ATOM 1615 C LYS A 97 -28.798 -12.865 -15.872 1.00 0.00 C ATOM 1616 O LYS A 97 -29.828 -12.259 -16.164 1.00 0.00 O ATOM 1617 CB LYS A 97 -26.571 -12.176 -16.767 1.00 0.00 C ATOM 1618 CG LYS A 97 -27.228 -11.486 -17.964 1.00 0.00 C ATOM 1619 CD LYS A 97 -26.243 -11.442 -19.132 1.00 0.00 C ATOM 1620 CE LYS A 97 -26.761 -10.483 -20.205 1.00 0.00 C ATOM 1621 NZ LYS A 97 -27.687 -11.213 -21.117 1.00 0.00 N ATOM 0 H LYS A 97 -26.022 -13.235 -14.595 1.00 0.00 H new ATOM 0 HA LYS A 97 -27.753 -11.070 -15.344 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -25.623 -11.693 -16.531 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -26.348 -13.215 -17.011 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -28.131 -12.023 -18.256 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -27.532 -10.475 -17.693 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -25.263 -11.117 -18.782 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -26.117 -12.440 -19.552 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -27.278 -9.644 -19.739 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -25.927 -10.069 -20.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -28.040 -10.562 -21.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -27.179 -11.999 -21.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -28.489 -11.588 -20.571 1.00 0.00 H new ATOM 1635 N SER A 98 -28.733 -14.193 -15.809 1.00 0.00 N ATOM 1636 CA SER A 98 -29.900 -15.020 -16.088 1.00 0.00 C ATOM 1637 C SER A 98 -31.080 -14.593 -15.220 1.00 0.00 C ATOM 1638 O SER A 98 -32.211 -14.495 -15.697 1.00 0.00 O ATOM 1639 CB SER A 98 -29.575 -16.490 -15.820 1.00 0.00 C ATOM 1640 OG SER A 98 -30.118 -17.290 -16.862 1.00 0.00 O ATOM 0 H SER A 98 -27.890 -14.715 -15.569 1.00 0.00 H new ATOM 0 HA SER A 98 -30.169 -14.892 -17.137 1.00 0.00 H new ATOM 0 HB2 SER A 98 -28.496 -16.631 -15.763 1.00 0.00 H new ATOM 0 HB3 SER A 98 -29.988 -16.796 -14.859 1.00 0.00 H new ATOM 0 HG SER A 98 -29.909 -18.233 -16.693 1.00 0.00 H new ATOM 1646 N GLN A 99 -30.808 -14.337 -13.944 1.00 0.00 N ATOM 1647 CA GLN A 99 -31.856 -13.920 -13.018 1.00 0.00 C ATOM 1648 C GLN A 99 -32.561 -12.672 -13.539 1.00 0.00 C ATOM 1649 O GLN A 99 -33.787 -12.577 -13.497 1.00 0.00 O ATOM 1650 CB GLN A 99 -31.252 -13.631 -11.642 1.00 0.00 C ATOM 1651 CG GLN A 99 -31.628 -14.752 -10.671 1.00 0.00 C ATOM 1652 CD GLN A 99 -30.757 -14.672 -9.423 1.00 0.00 C ATOM 1653 OE1 GLN A 99 -31.263 -14.766 -8.305 1.00 0.00 O ATOM 1654 NE2 GLN A 99 -29.469 -14.502 -9.547 1.00 0.00 N ATOM 0 H GLN A 99 -29.879 -14.410 -13.530 1.00 0.00 H new ATOM 0 HA GLN A 99 -32.584 -14.727 -12.932 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -30.168 -13.551 -11.719 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -31.616 -12.674 -11.267 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -32.680 -14.670 -10.397 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -31.499 -15.721 -11.153 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -29.052 -14.424 -10.475 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -28.880 -14.447 -8.716 1.00 0.00 H new ATOM 1663 N ILE A 100 -31.778 -11.719 -14.034 1.00 0.00 N ATOM 1664 CA ILE A 100 -32.339 -10.482 -14.564 1.00 0.00 C ATOM 1665 C ILE A 100 -33.211 -10.774 -15.782 1.00 0.00 C ATOM 1666 O ILE A 100 -34.220 -10.107 -16.008 1.00 0.00 O ATOM 1667 CB ILE A 100 -31.214 -9.523 -14.958 1.00 0.00 C ATOM 1668 CG1 ILE A 100 -30.468 -9.071 -13.700 1.00 0.00 C ATOM 1669 CG2 ILE A 100 -31.808 -8.301 -15.662 1.00 0.00 C ATOM 1670 CD1 ILE A 100 -29.020 -8.732 -14.059 1.00 0.00 C ATOM 0 H ILE A 100 -30.761 -11.778 -14.079 1.00 0.00 H new ATOM 0 HA ILE A 100 -32.952 -10.020 -13.790 1.00 0.00 H new ATOM 0 HB ILE A 100 -30.523 -10.030 -15.631 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -30.960 -8.200 -13.266 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -30.492 -9.859 -12.947 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -31.007 -7.618 -15.943 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -32.342 -8.621 -16.557 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -32.499 -7.793 -14.989 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -28.489 -8.410 -13.163 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -28.532 -9.614 -14.473 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -29.006 -7.930 -14.797 1.00 0.00 H new ATOM 1682 N LEU A 101 -32.816 -11.778 -16.557 1.00 0.00 N ATOM 1683 CA LEU A 101 -33.571 -12.153 -17.748 1.00 0.00 C ATOM 1684 C LEU A 101 -34.995 -12.550 -17.372 1.00 0.00 C ATOM 1685 O LEU A 101 -35.942 -12.276 -18.108 1.00 0.00 O ATOM 1686 CB LEU A 101 -32.881 -13.322 -18.455 1.00 0.00 C ATOM 1687 CG LEU A 101 -33.661 -13.690 -19.717 1.00 0.00 C ATOM 1688 CD1 LEU A 101 -33.449 -12.613 -20.783 1.00 0.00 C ATOM 1689 CD2 LEU A 101 -33.165 -15.037 -20.247 1.00 0.00 C ATOM 0 H LEU A 101 -31.984 -12.343 -16.385 1.00 0.00 H new ATOM 0 HA LEU A 101 -33.610 -11.295 -18.420 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -31.858 -13.051 -18.714 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -32.824 -14.181 -17.787 1.00 0.00 H new ATOM 0 HG LEU A 101 -34.723 -13.760 -19.480 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -34.006 -12.877 -21.682 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -33.802 -11.653 -20.406 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -32.388 -12.541 -21.021 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -33.720 -15.301 -21.147 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -32.103 -14.966 -20.483 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -33.317 -15.805 -19.489 1.00 0.00 H new ATOM 1701 N ASN A 102 -35.137 -13.196 -16.219 1.00 0.00 N ATOM 1702 CA ASN A 102 -36.449 -13.626 -15.753 1.00 0.00 C ATOM 1703 C ASN A 102 -37.285 -12.423 -15.327 1.00 0.00 C ATOM 1704 O ASN A 102 -38.451 -12.301 -15.705 1.00 0.00 O ATOM 1705 CB ASN A 102 -36.292 -14.586 -14.572 1.00 0.00 C ATOM 1706 CG ASN A 102 -35.501 -15.817 -15.002 1.00 0.00 C ATOM 1707 OD1 ASN A 102 -35.127 -15.938 -16.169 1.00 0.00 O ATOM 1708 ND2 ASN A 102 -35.221 -16.742 -14.126 1.00 0.00 N ATOM 0 H ASN A 102 -34.365 -13.432 -15.595 1.00 0.00 H new ATOM 0 HA ASN A 102 -36.958 -14.136 -16.571 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -35.781 -14.084 -13.750 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -37.273 -14.885 -14.203 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -34.691 -17.567 -14.407 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -35.532 -16.640 -13.160 1.00 0.00 H new ATOM 1715 N LEU A 103 -36.681 -11.538 -14.542 1.00 0.00 N ATOM 1716 CA LEU A 103 -37.378 -10.346 -14.072 1.00 0.00 C ATOM 1717 C LEU A 103 -38.042 -9.620 -15.238 1.00 0.00 C ATOM 1718 O LEU A 103 -39.156 -9.110 -15.111 1.00 0.00 O ATOM 1719 CB LEU A 103 -36.393 -9.404 -13.376 1.00 0.00 C ATOM 1720 CG LEU A 103 -37.139 -8.177 -12.851 1.00 0.00 C ATOM 1721 CD1 LEU A 103 -37.277 -8.274 -11.331 1.00 0.00 C ATOM 1722 CD2 LEU A 103 -36.354 -6.912 -13.209 1.00 0.00 C ATOM 0 H LEU A 103 -35.717 -11.622 -14.219 1.00 0.00 H new ATOM 0 HA LEU A 103 -38.147 -10.653 -13.364 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -35.899 -9.921 -12.553 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -35.613 -9.097 -14.073 1.00 0.00 H new ATOM 0 HG LEU A 103 -38.129 -8.134 -13.304 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -37.809 -7.399 -10.957 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -37.834 -9.175 -11.073 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -36.287 -8.317 -10.878 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -36.885 -6.036 -12.835 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -35.364 -6.957 -12.755 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -36.253 -6.840 -14.292 1.00 0.00 H new ATOM 1734 N GLU A 104 -37.349 -9.574 -16.371 1.00 0.00 N ATOM 1735 CA GLU A 104 -37.879 -8.903 -17.553 1.00 0.00 C ATOM 1736 C GLU A 104 -39.103 -9.638 -18.090 1.00 0.00 C ATOM 1737 O GLU A 104 -40.120 -9.020 -18.404 1.00 0.00 O ATOM 1738 CB GLU A 104 -36.805 -8.838 -18.641 1.00 0.00 C ATOM 1739 CG GLU A 104 -37.415 -8.272 -19.925 1.00 0.00 C ATOM 1740 CD GLU A 104 -37.749 -9.407 -20.887 1.00 0.00 C ATOM 1741 OE1 GLU A 104 -37.011 -10.377 -20.907 1.00 0.00 O ATOM 1742 OE2 GLU A 104 -38.739 -9.287 -21.591 1.00 0.00 O ATOM 0 H GLU A 104 -36.426 -9.990 -16.496 1.00 0.00 H new ATOM 0 HA GLU A 104 -38.174 -7.893 -17.269 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -35.976 -8.211 -18.312 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -36.399 -9.832 -18.826 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -38.316 -7.706 -19.690 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -36.717 -7.579 -20.395 1.00 0.00 H new ATOM 1749 N GLU A 105 -38.998 -10.959 -18.196 1.00 0.00 N ATOM 1750 CA GLU A 105 -40.105 -11.763 -18.700 1.00 0.00 C ATOM 1751 C GLU A 105 -41.350 -11.557 -17.843 1.00 0.00 C ATOM 1752 O GLU A 105 -42.465 -11.483 -18.359 1.00 0.00 O ATOM 1753 CB GLU A 105 -39.719 -13.243 -18.700 1.00 0.00 C ATOM 1754 CG GLU A 105 -38.618 -13.482 -19.735 1.00 0.00 C ATOM 1755 CD GLU A 105 -38.380 -14.977 -19.907 1.00 0.00 C ATOM 1756 OE1 GLU A 105 -39.164 -15.607 -20.598 1.00 0.00 O ATOM 1757 OE2 GLU A 105 -37.415 -15.472 -19.347 1.00 0.00 O ATOM 0 H GLU A 105 -38.166 -11.491 -17.942 1.00 0.00 H new ATOM 0 HA GLU A 105 -40.325 -11.447 -19.720 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -39.373 -13.540 -17.710 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -40.590 -13.857 -18.931 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -38.902 -13.039 -20.689 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -37.697 -12.993 -19.418 1.00 0.00 H new ATOM 1764 N SER A 106 -41.152 -11.463 -16.532 1.00 0.00 N ATOM 1765 CA SER A 106 -42.268 -11.263 -15.614 1.00 0.00 C ATOM 1766 C SER A 106 -43.107 -10.066 -16.049 1.00 0.00 C ATOM 1767 O SER A 106 -44.332 -10.076 -15.925 1.00 0.00 O ATOM 1768 CB SER A 106 -41.744 -11.034 -14.197 1.00 0.00 C ATOM 1769 OG SER A 106 -41.853 -9.654 -13.873 1.00 0.00 O ATOM 0 H SER A 106 -40.237 -11.521 -16.084 1.00 0.00 H new ATOM 0 HA SER A 106 -42.893 -12.156 -15.628 1.00 0.00 H new ATOM 0 HB2 SER A 106 -42.313 -11.632 -13.485 1.00 0.00 H new ATOM 0 HB3 SER A 106 -40.705 -11.355 -14.125 1.00 0.00 H new ATOM 0 HG SER A 106 -41.058 -9.179 -14.193 1.00 0.00 H new ATOM 1775 N LYS A 107 -42.440 -9.036 -16.559 1.00 0.00 N ATOM 1776 CA LYS A 107 -43.134 -7.836 -17.011 1.00 0.00 C ATOM 1777 C LYS A 107 -44.185 -8.186 -18.059 1.00 0.00 C ATOM 1778 O LYS A 107 -45.256 -7.582 -18.105 1.00 0.00 O ATOM 1779 CB LYS A 107 -42.129 -6.846 -17.605 1.00 0.00 C ATOM 1780 CG LYS A 107 -42.707 -5.431 -17.547 1.00 0.00 C ATOM 1781 CD LYS A 107 -42.268 -4.649 -18.787 1.00 0.00 C ATOM 1782 CE LYS A 107 -40.772 -4.342 -18.693 1.00 0.00 C ATOM 1783 NZ LYS A 107 -40.581 -2.940 -18.222 1.00 0.00 N ATOM 0 H LYS A 107 -41.426 -9.008 -16.669 1.00 0.00 H new ATOM 0 HA LYS A 107 -43.631 -7.381 -16.154 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -41.191 -6.889 -17.052 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -41.904 -7.116 -18.637 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -43.795 -5.473 -17.497 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -42.366 -4.924 -16.645 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -42.476 -5.227 -19.687 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -42.836 -3.722 -18.866 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -40.290 -5.037 -18.005 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -40.300 -4.478 -19.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -39.564 -2.731 -18.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -41.028 -2.284 -18.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -41.018 -2.826 -17.285 1.00 0.00 H new ATOM 1797 N ALA A 108 -43.871 -9.167 -18.900 1.00 0.00 N ATOM 1798 CA ALA A 108 -44.796 -9.587 -19.945 1.00 0.00 C ATOM 1799 C ALA A 108 -45.965 -10.368 -19.350 1.00 0.00 C ATOM 1800 O ALA A 108 -47.118 -10.161 -19.727 1.00 0.00 O ATOM 1801 CB ALA A 108 -44.066 -10.463 -20.965 1.00 0.00 C ATOM 0 H ALA A 108 -42.991 -9.682 -18.878 1.00 0.00 H new ATOM 0 HA ALA A 108 -45.184 -8.695 -20.438 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -44.763 -10.773 -21.743 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -43.250 -9.896 -21.414 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -43.664 -11.344 -20.466 1.00 0.00 H new ATOM 1807 N THR A 109 -45.658 -11.264 -18.418 1.00 0.00 N ATOM 1808 CA THR A 109 -46.690 -12.070 -17.777 1.00 0.00 C ATOM 1809 C THR A 109 -47.664 -11.185 -17.007 1.00 0.00 C ATOM 1810 O THR A 109 -48.880 -11.309 -17.153 1.00 0.00 O ATOM 1811 CB THR A 109 -46.047 -13.078 -16.822 1.00 0.00 C ATOM 1812 OG1 THR A 109 -45.109 -12.408 -15.993 1.00 0.00 O ATOM 1813 CG2 THR A 109 -45.333 -14.163 -17.630 1.00 0.00 C ATOM 0 H THR A 109 -44.710 -11.450 -18.092 1.00 0.00 H new ATOM 0 HA THR A 109 -47.240 -12.604 -18.552 1.00 0.00 H new ATOM 0 HB THR A 109 -46.818 -13.537 -16.203 1.00 0.00 H new ATOM 0 HG1 THR A 109 -44.981 -11.492 -16.318 1.00 0.00 H new ATOM 0 HG21 THR A 109 -44.875 -14.881 -16.950 1.00 0.00 H new ATOM 0 HG22 THR A 109 -46.054 -14.676 -18.267 1.00 0.00 H new ATOM 0 HG23 THR A 109 -44.561 -13.707 -18.249 1.00 0.00 H new ATOM 1821 N ILE A 110 -47.122 -10.291 -16.187 1.00 0.00 N ATOM 1822 CA ILE A 110 -47.956 -9.391 -15.399 1.00 0.00 C ATOM 1823 C ILE A 110 -48.729 -8.440 -16.307 1.00 0.00 C ATOM 1824 O ILE A 110 -49.868 -8.079 -16.016 1.00 0.00 O ATOM 1825 CB ILE A 110 -47.086 -8.583 -14.434 1.00 0.00 C ATOM 1826 CG1 ILE A 110 -47.976 -7.653 -13.607 1.00 0.00 C ATOM 1827 CG2 ILE A 110 -46.077 -7.752 -15.228 1.00 0.00 C ATOM 1828 CD1 ILE A 110 -47.155 -7.035 -12.474 1.00 0.00 C ATOM 0 H ILE A 110 -46.118 -10.171 -16.051 1.00 0.00 H new ATOM 0 HA ILE A 110 -48.668 -9.991 -14.832 1.00 0.00 H new ATOM 0 HB ILE A 110 -46.551 -9.262 -13.770 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -48.389 -6.868 -14.241 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -48.820 -8.209 -13.198 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -45.458 -7.177 -14.540 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -45.444 -8.415 -15.818 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -46.609 -7.071 -15.893 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -47.789 -6.372 -11.885 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -46.764 -7.826 -11.835 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -46.326 -6.465 -12.894 1.00 0.00 H new ATOM 1840 N HIS A 111 -48.101 -8.037 -17.407 1.00 0.00 N ATOM 1841 CA HIS A 111 -48.741 -7.127 -18.349 1.00 0.00 C ATOM 1842 C HIS A 111 -49.938 -7.798 -19.014 1.00 0.00 C ATOM 1843 O HIS A 111 -50.900 -7.134 -19.400 1.00 0.00 O ATOM 1844 CB HIS A 111 -47.736 -6.691 -19.417 1.00 0.00 C ATOM 1845 CG HIS A 111 -47.063 -5.418 -18.981 1.00 0.00 C ATOM 1846 ND1 HIS A 111 -46.390 -4.594 -19.871 1.00 0.00 N ATOM 1847 CD2 HIS A 111 -46.951 -4.813 -17.753 1.00 0.00 C ATOM 1848 CE1 HIS A 111 -45.908 -3.550 -19.171 1.00 0.00 C ATOM 1849 NE2 HIS A 111 -46.222 -3.635 -17.876 1.00 0.00 N ATOM 0 H HIS A 111 -47.157 -8.324 -17.666 1.00 0.00 H new ATOM 0 HA HIS A 111 -49.090 -6.252 -17.801 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -46.993 -7.473 -19.573 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -48.244 -6.539 -20.369 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -47.366 -5.194 -16.832 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -45.337 -2.742 -19.604 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -45.979 -2.977 -17.135 1.00 0.00 H new ATOM 1858 N GLU A 112 -49.873 -9.120 -19.145 1.00 0.00 N ATOM 1859 CA GLU A 112 -50.959 -9.870 -19.764 1.00 0.00 C ATOM 1860 C GLU A 112 -52.205 -9.829 -18.884 1.00 0.00 C ATOM 1861 O GLU A 112 -53.326 -9.991 -19.369 1.00 0.00 O ATOM 1862 CB GLU A 112 -50.534 -11.324 -19.983 1.00 0.00 C ATOM 1863 CG GLU A 112 -50.068 -11.510 -21.428 1.00 0.00 C ATOM 1864 CD GLU A 112 -49.231 -12.780 -21.547 1.00 0.00 C ATOM 1865 OE1 GLU A 112 -48.616 -13.154 -20.562 1.00 0.00 O ATOM 1866 OE2 GLU A 112 -49.218 -13.358 -22.621 1.00 0.00 O ATOM 0 H GLU A 112 -49.086 -9.689 -18.833 1.00 0.00 H new ATOM 0 HA GLU A 112 -51.190 -9.412 -20.726 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -49.731 -11.586 -19.295 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -51.368 -11.993 -19.770 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -50.930 -11.569 -22.092 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -49.481 -10.647 -21.744 1.00 0.00 H new ATOM 1873 N ASN A 113 -52.000 -9.610 -17.589 1.00 0.00 N ATOM 1874 CA ASN A 113 -53.111 -9.549 -16.647 1.00 0.00 C ATOM 1875 C ASN A 113 -53.925 -8.277 -16.862 1.00 0.00 C ATOM 1876 O ASN A 113 -55.152 -8.322 -16.954 1.00 0.00 O ATOM 1877 CB ASN A 113 -52.582 -9.581 -15.212 1.00 0.00 C ATOM 1878 CG ASN A 113 -53.717 -9.311 -14.231 1.00 0.00 C ATOM 1879 OD1 ASN A 113 -54.792 -8.864 -14.630 1.00 0.00 O ATOM 1880 ND2 ASN A 113 -53.541 -9.557 -12.961 1.00 0.00 N ATOM 0 H ASN A 113 -51.080 -9.473 -17.170 1.00 0.00 H new ATOM 0 HA ASN A 113 -53.754 -10.413 -16.816 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -52.133 -10.552 -15.003 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -51.798 -8.834 -15.088 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -54.295 -9.379 -12.298 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -52.649 -9.927 -12.632 1.00 0.00 H new