USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 754 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 6 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 13 CYS SG : rot 50:sc= -4.87! USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0.0155 X(o=0.015,f=-0.28) USER MOD Single : A 17 THR OG1 : rot 84:sc= 0.699 USER MOD Single : A 20 TYR OH : rot 56:sc= 0.989 USER MOD Single : A 24 HIS : no HD1:sc= -0.0715 X(o=-0.071,f=-0.27) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.434 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0751 USER MOD Single : A 31 SER OG : rot -130:sc= -0.346 USER MOD Single : A 39 CYS SG : rot 88:sc= -2.42! USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.117 X(o=-0.12,f=0.14) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 95:sc= 1.29 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 41:sc= 0.404 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= -0.463 K(o=-0.46,f=-2.7!) USER MOD Single : A 103 HIS :FLIP no HE2:sc= 0.105 F(o=-0.51,f=0.1) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 201 N GLN A 6 -0.267 -0.980 -2.277 1.00 0.00 N ATOM 202 CA GLN A 6 -0.738 0.380 -2.508 1.00 0.00 C ATOM 203 C GLN A 6 -1.239 0.550 -3.939 1.00 0.00 C ATOM 204 O GLN A 6 -2.167 1.319 -4.193 1.00 0.00 O ATOM 205 CB GLN A 6 0.383 1.384 -2.226 1.00 0.00 C ATOM 206 CG GLN A 6 0.449 1.828 -0.774 1.00 0.00 C ATOM 207 CD GLN A 6 1.673 2.674 -0.479 1.00 0.00 C ATOM 208 OE1 GLN A 6 2.305 3.210 -1.390 1.00 0.00 O ATOM 209 NE2 GLN A 6 2.013 2.797 0.798 1.00 0.00 N ATOM 0 HA GLN A 6 -1.568 0.569 -1.828 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.338 0.938 -2.505 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.243 2.260 -2.859 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.449 2.396 -0.530 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.455 0.949 -0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 6 1.460 2.335 1.520 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.827 3.354 1.058 1.00 0.00 H new ATOM 218 N GLU A 7 -0.618 -0.167 -4.868 1.00 0.00 N ATOM 219 CA GLU A 7 -0.998 -0.091 -6.275 1.00 0.00 C ATOM 220 C GLU A 7 -2.431 -0.568 -6.486 1.00 0.00 C ATOM 221 O GLU A 7 -3.215 0.082 -7.178 1.00 0.00 O ATOM 222 CB GLU A 7 -0.038 -0.923 -7.126 1.00 0.00 C ATOM 223 CG GLU A 7 0.401 -0.228 -8.406 1.00 0.00 C ATOM 224 CD GLU A 7 1.634 0.632 -8.208 1.00 0.00 C ATOM 225 OE1 GLU A 7 2.586 0.164 -7.550 1.00 0.00 O ATOM 226 OE2 GLU A 7 1.646 1.776 -8.710 1.00 0.00 O ATOM 0 H GLU A 7 0.151 -0.808 -4.673 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.939 0.953 -6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.844 -1.164 -6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.518 -1.868 -7.382 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.604 -0.977 -9.171 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.415 0.393 -8.777 1.00 0.00 H new ATOM 233 N GLU A 8 -2.768 -1.707 -5.890 1.00 0.00 N ATOM 234 CA GLU A 8 -4.108 -2.270 -6.020 1.00 0.00 C ATOM 235 C GLU A 8 -5.149 -1.370 -5.362 1.00 0.00 C ATOM 236 O GLU A 8 -6.296 -1.311 -5.803 1.00 0.00 O ATOM 237 CB GLU A 8 -4.160 -3.672 -5.406 1.00 0.00 C ATOM 238 CG GLU A 8 -3.928 -3.694 -3.904 1.00 0.00 C ATOM 239 CD GLU A 8 -4.615 -4.863 -3.227 1.00 0.00 C ATOM 240 OE1 GLU A 8 -5.860 -4.934 -3.280 1.00 0.00 O ATOM 241 OE2 GLU A 8 -3.905 -5.709 -2.642 1.00 0.00 O ATOM 0 H GLU A 8 -2.133 -2.258 -5.313 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.341 -2.340 -7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.132 -4.116 -5.620 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.410 -4.298 -5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.857 -3.742 -3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.291 -2.762 -3.470 1.00 0.00 H new ATOM 248 N LEU A 9 -4.746 -0.676 -4.303 1.00 0.00 N ATOM 249 CA LEU A 9 -5.650 0.217 -3.584 1.00 0.00 C ATOM 250 C LEU A 9 -6.037 1.416 -4.446 1.00 0.00 C ATOM 251 O LEU A 9 -7.215 1.757 -4.558 1.00 0.00 O ATOM 252 CB LEU A 9 -4.998 0.697 -2.285 1.00 0.00 C ATOM 253 CG LEU A 9 -5.301 -0.161 -1.055 1.00 0.00 C ATOM 254 CD1 LEU A 9 -4.615 0.412 0.175 1.00 0.00 C ATOM 255 CD2 LEU A 9 -6.804 -0.260 -0.833 1.00 0.00 C ATOM 0 H LEU A 9 -3.800 -0.714 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.556 -0.341 -3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.918 0.731 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.325 1.718 -2.087 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.912 -1.164 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.841 -0.210 1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.537 0.432 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.974 1.426 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.002 -0.874 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.216 0.738 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.272 -0.715 -1.706 1.00 0.00 H new ATOM 267 N LEU A 10 -5.039 2.053 -5.049 1.00 0.00 N ATOM 268 CA LEU A 10 -5.274 3.217 -5.897 1.00 0.00 C ATOM 269 C LEU A 10 -6.146 2.855 -7.096 1.00 0.00 C ATOM 270 O LEU A 10 -6.958 3.661 -7.550 1.00 0.00 O ATOM 271 CB LEU A 10 -3.944 3.803 -6.373 1.00 0.00 C ATOM 272 CG LEU A 10 -3.804 5.317 -6.203 1.00 0.00 C ATOM 273 CD1 LEU A 10 -2.338 5.716 -6.162 1.00 0.00 C ATOM 274 CD2 LEU A 10 -4.526 6.046 -7.327 1.00 0.00 C ATOM 0 H LEU A 10 -4.059 1.783 -4.966 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.801 3.965 -5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.135 3.316 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.813 3.558 -7.427 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.263 5.602 -5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.258 6.796 -6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.849 5.220 -5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.854 5.419 -7.092 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.417 7.122 -7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.095 5.755 -8.285 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.584 5.784 -7.310 1.00 0.00 H new ATOM 286 N ARG A 11 -5.969 1.641 -7.605 1.00 0.00 N ATOM 287 CA ARG A 11 -6.738 1.174 -8.754 1.00 0.00 C ATOM 288 C ARG A 11 -8.217 1.037 -8.406 1.00 0.00 C ATOM 289 O ARG A 11 -9.086 1.382 -9.205 1.00 0.00 O ATOM 290 CB ARG A 11 -6.191 -0.167 -9.247 1.00 0.00 C ATOM 291 CG ARG A 11 -4.852 -0.055 -9.957 1.00 0.00 C ATOM 292 CD ARG A 11 -4.786 -0.966 -11.173 1.00 0.00 C ATOM 293 NE ARG A 11 -3.474 -1.590 -11.320 1.00 0.00 N ATOM 294 CZ ARG A 11 -2.396 -0.951 -11.774 1.00 0.00 C ATOM 295 NH1 ARG A 11 -2.472 0.325 -12.125 1.00 0.00 N ATOM 296 NH2 ARG A 11 -1.241 -1.593 -11.877 1.00 0.00 N ATOM 0 H ARG A 11 -5.300 0.962 -7.241 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.641 1.914 -9.548 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.087 -0.842 -8.397 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.916 -0.618 -9.925 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.688 0.977 -10.266 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.050 -0.312 -9.265 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.548 -1.741 -11.087 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.016 -0.391 -12.070 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.377 -2.572 -11.060 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.359 0.823 -12.048 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.644 0.809 -12.472 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.178 -2.575 -11.609 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.415 -1.105 -12.224 1.00 0.00 H new ATOM 310 N TRP A 12 -8.494 0.526 -7.211 1.00 0.00 N ATOM 311 CA TRP A 12 -9.869 0.338 -6.759 1.00 0.00 C ATOM 312 C TRP A 12 -10.566 1.677 -6.539 1.00 0.00 C ATOM 313 O TRP A 12 -11.718 1.859 -6.934 1.00 0.00 O ATOM 314 CB TRP A 12 -9.892 -0.480 -5.467 1.00 0.00 C ATOM 315 CG TRP A 12 -11.272 -0.880 -5.042 1.00 0.00 C ATOM 316 CD1 TRP A 12 -12.058 -1.843 -5.608 1.00 0.00 C ATOM 317 CD2 TRP A 12 -12.032 -0.327 -3.961 1.00 0.00 C ATOM 318 NE1 TRP A 12 -13.259 -1.921 -4.945 1.00 0.00 N ATOM 319 CE2 TRP A 12 -13.266 -1.001 -3.929 1.00 0.00 C ATOM 320 CE3 TRP A 12 -11.787 0.673 -3.014 1.00 0.00 C ATOM 321 CZ2 TRP A 12 -14.252 -0.708 -2.991 1.00 0.00 C ATOM 322 CZ3 TRP A 12 -12.766 0.964 -2.083 1.00 0.00 C ATOM 323 CH2 TRP A 12 -13.986 0.274 -2.077 1.00 0.00 C ATOM 0 H TRP A 12 -7.785 0.235 -6.538 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.408 -0.202 -7.537 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.287 -1.377 -5.602 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.428 0.100 -4.670 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -11.777 -2.454 -6.453 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -14.021 -2.560 -5.172 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.849 1.208 -3.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -15.193 -1.237 -2.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.588 1.735 -1.348 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.731 0.523 -1.336 1.00 0.00 H new ATOM 334 N CYS A 13 -9.864 2.608 -5.902 1.00 0.00 N ATOM 335 CA CYS A 13 -10.420 3.929 -5.624 1.00 0.00 C ATOM 336 C CYS A 13 -10.789 4.652 -6.916 1.00 0.00 C ATOM 337 O CYS A 13 -11.867 5.239 -7.022 1.00 0.00 O ATOM 338 CB CYS A 13 -9.421 4.766 -4.825 1.00 0.00 C ATOM 339 SG CYS A 13 -9.588 4.601 -3.032 1.00 0.00 S ATOM 0 H CYS A 13 -8.910 2.473 -5.568 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.327 3.796 -5.035 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.410 4.478 -5.113 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.543 5.815 -5.096 1.00 0.00 H new ATOM 0 HG CYS A 13 -9.619 3.341 -2.713 1.00 0.00 H new ATOM 345 N GLN A 14 -9.888 4.611 -7.891 1.00 0.00 N ATOM 346 CA GLN A 14 -10.121 5.268 -9.173 1.00 0.00 C ATOM 347 C GLN A 14 -11.269 4.605 -9.929 1.00 0.00 C ATOM 348 O GLN A 14 -12.079 5.281 -10.563 1.00 0.00 O ATOM 349 CB GLN A 14 -8.849 5.242 -10.023 1.00 0.00 C ATOM 350 CG GLN A 14 -9.001 5.930 -11.370 1.00 0.00 C ATOM 351 CD GLN A 14 -8.210 5.247 -12.467 1.00 0.00 C ATOM 352 OE1 GLN A 14 -7.043 5.564 -12.697 1.00 0.00 O ATOM 353 NE2 GLN A 14 -8.843 4.303 -13.153 1.00 0.00 N ATOM 0 H GLN A 14 -8.991 4.131 -7.819 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.395 6.304 -8.975 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.042 5.722 -9.469 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.552 4.206 -10.185 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.055 5.950 -11.646 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.674 6.966 -11.283 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.811 4.072 -12.929 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.361 3.809 -13.904 1.00 0.00 H new ATOM 362 N GLU A 15 -11.334 3.281 -9.855 1.00 0.00 N ATOM 363 CA GLU A 15 -12.386 2.533 -10.533 1.00 0.00 C ATOM 364 C GLU A 15 -13.750 2.841 -9.922 1.00 0.00 C ATOM 365 O GLU A 15 -14.725 3.072 -10.637 1.00 0.00 O ATOM 366 CB GLU A 15 -12.107 1.030 -10.453 1.00 0.00 C ATOM 367 CG GLU A 15 -12.771 0.228 -11.560 1.00 0.00 C ATOM 368 CD GLU A 15 -12.223 0.563 -12.933 1.00 0.00 C ATOM 369 OE1 GLU A 15 -12.638 1.595 -13.502 1.00 0.00 O ATOM 370 OE2 GLU A 15 -11.377 -0.204 -13.439 1.00 0.00 O ATOM 0 H GLU A 15 -10.673 2.705 -9.334 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.397 2.838 -11.580 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.030 0.866 -10.493 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.451 0.656 -9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.631 -0.836 -11.367 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.845 0.416 -11.546 1.00 0.00 H new ATOM 377 N GLN A 16 -13.809 2.839 -8.595 1.00 0.00 N ATOM 378 CA GLN A 16 -15.052 3.116 -7.884 1.00 0.00 C ATOM 379 C GLN A 16 -15.467 4.575 -8.052 1.00 0.00 C ATOM 380 O GLN A 16 -16.656 4.890 -8.102 1.00 0.00 O ATOM 381 CB GLN A 16 -14.899 2.785 -6.398 1.00 0.00 C ATOM 382 CG GLN A 16 -15.392 1.394 -6.032 1.00 0.00 C ATOM 383 CD GLN A 16 -16.785 1.409 -5.431 1.00 0.00 C ATOM 384 OE1 GLN A 16 -17.622 2.235 -5.796 1.00 0.00 O ATOM 385 NE2 GLN A 16 -17.039 0.492 -4.504 1.00 0.00 N ATOM 0 H GLN A 16 -13.010 2.649 -7.990 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.832 2.486 -8.312 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.849 2.874 -6.120 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.447 3.522 -5.811 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -15.391 0.766 -6.923 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.699 0.942 -5.323 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.315 -0.173 -4.232 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.958 0.453 -4.064 1.00 0.00 H new ATOM 394 N THR A 17 -14.482 5.463 -8.138 1.00 0.00 N ATOM 395 CA THR A 17 -14.749 6.888 -8.297 1.00 0.00 C ATOM 396 C THR A 17 -14.818 7.285 -9.772 1.00 0.00 C ATOM 397 O THR A 17 -14.904 8.469 -10.098 1.00 0.00 O ATOM 398 CB THR A 17 -13.671 7.711 -7.590 1.00 0.00 C ATOM 399 OG1 THR A 17 -13.569 7.340 -6.228 1.00 0.00 O ATOM 400 CG2 THR A 17 -13.926 9.202 -7.643 1.00 0.00 C ATOM 0 H THR A 17 -13.492 5.221 -8.100 1.00 0.00 H new ATOM 0 HA THR A 17 -15.719 7.094 -7.844 1.00 0.00 H new ATOM 0 HB THR A 17 -12.747 7.498 -8.127 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.986 6.556 -6.145 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.125 9.727 -7.123 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.959 9.529 -8.682 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.878 9.426 -7.162 1.00 0.00 H new ATOM 408 N ALA A 18 -14.785 6.293 -10.660 1.00 0.00 N ATOM 409 CA ALA A 18 -14.845 6.555 -12.093 1.00 0.00 C ATOM 410 C ALA A 18 -16.284 6.784 -12.547 1.00 0.00 C ATOM 411 O ALA A 18 -17.158 5.950 -12.312 1.00 0.00 O ATOM 412 CB ALA A 18 -14.221 5.405 -12.867 1.00 0.00 C ATOM 0 H ALA A 18 -14.717 5.306 -10.412 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.278 7.463 -12.297 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.273 5.615 -13.935 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.179 5.290 -12.570 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.763 4.484 -12.651 1.00 0.00 H new ATOM 418 N GLY A 19 -16.522 7.916 -13.199 1.00 0.00 N ATOM 419 CA GLY A 19 -17.855 8.232 -13.677 1.00 0.00 C ATOM 420 C GLY A 19 -18.214 9.691 -13.484 1.00 0.00 C ATOM 421 O GLY A 19 -18.956 10.266 -14.282 1.00 0.00 O ATOM 0 H GLY A 19 -15.815 8.621 -13.405 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.926 7.981 -14.735 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -18.581 7.611 -13.153 1.00 0.00 H new ATOM 425 N TYR A 20 -17.691 10.295 -12.421 1.00 0.00 N ATOM 426 CA TYR A 20 -17.965 11.698 -12.128 1.00 0.00 C ATOM 427 C TYR A 20 -17.150 12.615 -13.040 1.00 0.00 C ATOM 428 O TYR A 20 -15.921 12.553 -13.050 1.00 0.00 O ATOM 429 CB TYR A 20 -17.644 12.004 -10.664 1.00 0.00 C ATOM 430 CG TYR A 20 -18.336 11.080 -9.685 1.00 0.00 C ATOM 431 CD1 TYR A 20 -17.802 9.833 -9.382 1.00 0.00 C ATOM 432 CD2 TYR A 20 -19.522 11.455 -9.065 1.00 0.00 C ATOM 433 CE1 TYR A 20 -18.430 8.988 -8.488 1.00 0.00 C ATOM 434 CE2 TYR A 20 -20.155 10.615 -8.170 1.00 0.00 C ATOM 435 CZ TYR A 20 -19.606 9.381 -7.885 1.00 0.00 C ATOM 436 OH TYR A 20 -20.234 8.542 -6.996 1.00 0.00 O ATOM 0 H TYR A 20 -17.076 9.836 -11.749 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.024 11.882 -12.310 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.566 11.936 -10.515 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -17.931 13.032 -10.445 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -16.882 9.520 -9.853 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -19.956 12.419 -9.287 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -18.001 8.023 -8.262 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -21.075 10.922 -7.695 1.00 0.00 H new ATOM 0 HH TYR A 20 -19.612 8.302 -6.277 1.00 0.00 H new ATOM 446 N PRO A 21 -17.820 13.483 -13.823 1.00 0.00 N ATOM 447 CA PRO A 21 -17.139 14.409 -14.736 1.00 0.00 C ATOM 448 C PRO A 21 -16.306 15.446 -13.991 1.00 0.00 C ATOM 449 O PRO A 21 -16.838 16.257 -13.234 1.00 0.00 O ATOM 450 CB PRO A 21 -18.286 15.097 -15.493 1.00 0.00 C ATOM 451 CG PRO A 21 -19.492 14.257 -15.235 1.00 0.00 C ATOM 452 CD PRO A 21 -19.283 13.631 -13.889 1.00 0.00 C ATOM 0 HA PRO A 21 -16.439 13.885 -15.387 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -18.435 16.117 -15.138 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -18.071 15.159 -16.560 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -20.398 14.862 -15.247 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -19.608 13.495 -16.005 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -19.662 14.263 -13.086 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -19.791 12.670 -13.806 1.00 0.00 H new ATOM 460 N GLY A 22 -14.995 15.418 -14.212 1.00 0.00 N ATOM 461 CA GLY A 22 -14.113 16.363 -13.556 1.00 0.00 C ATOM 462 C GLY A 22 -13.265 15.713 -12.485 1.00 0.00 C ATOM 463 O GLY A 22 -12.170 16.184 -12.178 1.00 0.00 O ATOM 0 H GLY A 22 -14.529 14.757 -14.834 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.463 16.826 -14.299 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.707 17.161 -13.111 1.00 0.00 H new ATOM 467 N VAL A 23 -13.770 14.626 -11.911 1.00 0.00 N ATOM 468 CA VAL A 23 -13.048 13.914 -10.869 1.00 0.00 C ATOM 469 C VAL A 23 -11.950 13.038 -11.461 1.00 0.00 C ATOM 470 O VAL A 23 -12.217 12.143 -12.265 1.00 0.00 O ATOM 471 CB VAL A 23 -13.995 13.033 -10.030 1.00 0.00 C ATOM 472 CG1 VAL A 23 -13.265 12.458 -8.827 1.00 0.00 C ATOM 473 CG2 VAL A 23 -15.214 13.829 -9.592 1.00 0.00 C ATOM 0 H VAL A 23 -14.675 14.221 -12.151 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.599 14.669 -10.224 1.00 0.00 H new ATOM 0 HB VAL A 23 -14.334 12.203 -10.650 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.950 11.839 -8.247 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.426 11.850 -9.167 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.895 13.271 -8.203 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -15.872 13.192 -9.001 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -14.896 14.680 -8.990 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.750 14.187 -10.471 1.00 0.00 H new ATOM 483 N HIS A 24 -10.715 13.303 -11.056 1.00 0.00 N ATOM 484 CA HIS A 24 -9.566 12.545 -11.539 1.00 0.00 C ATOM 485 C HIS A 24 -8.822 11.895 -10.377 1.00 0.00 C ATOM 486 O HIS A 24 -7.869 12.461 -9.842 1.00 0.00 O ATOM 487 CB HIS A 24 -8.618 13.456 -12.321 1.00 0.00 C ATOM 488 CG HIS A 24 -7.866 12.749 -13.405 1.00 0.00 C ATOM 489 ND1 HIS A 24 -7.819 11.376 -13.516 1.00 0.00 N ATOM 490 CD2 HIS A 24 -7.127 13.234 -14.431 1.00 0.00 C ATOM 491 CE1 HIS A 24 -7.083 11.046 -14.563 1.00 0.00 C ATOM 492 NE2 HIS A 24 -6.652 12.154 -15.135 1.00 0.00 N ATOM 0 H HIS A 24 -10.482 14.040 -10.391 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.930 11.760 -12.202 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.192 14.272 -12.761 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.905 13.905 -11.629 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.945 14.275 -14.654 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -6.870 10.040 -14.894 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.062 12.201 -15.965 1.00 0.00 H new ATOM 501 N VAL A 25 -9.269 10.707 -9.988 1.00 0.00 N ATOM 502 CA VAL A 25 -8.650 9.979 -8.886 1.00 0.00 C ATOM 503 C VAL A 25 -7.300 9.397 -9.289 1.00 0.00 C ATOM 504 O VAL A 25 -7.225 8.296 -9.835 1.00 0.00 O ATOM 505 CB VAL A 25 -9.555 8.839 -8.388 1.00 0.00 C ATOM 506 CG1 VAL A 25 -8.990 8.220 -7.119 1.00 0.00 C ATOM 507 CG2 VAL A 25 -10.972 9.342 -8.159 1.00 0.00 C ATOM 0 H VAL A 25 -10.059 10.227 -10.419 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.503 10.700 -8.082 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.588 8.067 -9.156 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.645 7.416 -6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.997 7.819 -7.321 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.923 8.981 -6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.597 8.521 -7.807 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.960 10.135 -7.412 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.376 9.730 -9.094 1.00 0.00 H new ATOM 517 N SER A 26 -6.233 10.140 -9.009 1.00 0.00 N ATOM 518 CA SER A 26 -4.884 9.690 -9.334 1.00 0.00 C ATOM 519 C SER A 26 -3.856 10.302 -8.385 1.00 0.00 C ATOM 520 O SER A 26 -2.664 10.347 -8.690 1.00 0.00 O ATOM 521 CB SER A 26 -4.538 10.049 -10.780 1.00 0.00 C ATOM 522 OG SER A 26 -3.787 9.016 -11.396 1.00 0.00 O ATOM 0 H SER A 26 -6.276 11.054 -8.559 1.00 0.00 H new ATOM 0 HA SER A 26 -4.855 8.607 -9.218 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.454 10.223 -11.344 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.969 10.979 -10.801 1.00 0.00 H new ATOM 0 HG SER A 26 -3.580 9.269 -12.320 1.00 0.00 H new ATOM 528 N ASP A 27 -4.325 10.765 -7.231 1.00 0.00 N ATOM 529 CA ASP A 27 -3.450 11.369 -6.233 1.00 0.00 C ATOM 530 C ASP A 27 -3.831 10.905 -4.830 1.00 0.00 C ATOM 531 O ASP A 27 -5.011 10.833 -4.490 1.00 0.00 O ATOM 532 CB ASP A 27 -3.518 12.894 -6.315 1.00 0.00 C ATOM 533 CG ASP A 27 -3.272 13.408 -7.720 1.00 0.00 C ATOM 534 OD1 ASP A 27 -4.218 13.383 -8.535 1.00 0.00 O ATOM 535 OD2 ASP A 27 -2.134 13.838 -8.006 1.00 0.00 O ATOM 0 H ASP A 27 -5.309 10.733 -6.963 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.429 11.050 -6.440 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.497 13.230 -5.974 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.780 13.325 -5.639 1.00 0.00 H new ATOM 540 N LEU A 28 -2.826 10.589 -4.020 1.00 0.00 N ATOM 541 CA LEU A 28 -3.063 10.131 -2.656 1.00 0.00 C ATOM 542 C LEU A 28 -2.996 11.292 -1.668 1.00 0.00 C ATOM 543 O LEU A 28 -2.512 11.138 -0.547 1.00 0.00 O ATOM 544 CB LEU A 28 -2.040 9.061 -2.272 1.00 0.00 C ATOM 545 CG LEU A 28 -2.183 7.731 -3.017 1.00 0.00 C ATOM 546 CD1 LEU A 28 -0.818 7.114 -3.277 1.00 0.00 C ATOM 547 CD2 LEU A 28 -3.061 6.771 -2.227 1.00 0.00 C ATOM 0 H LEU A 28 -1.842 10.641 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.064 9.702 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.040 9.455 -2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.120 8.871 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.660 7.924 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.941 6.170 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.220 7.795 -3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.313 6.934 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.152 5.831 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.611 6.584 -1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.050 7.210 -2.092 1.00 0.00 H new ATOM 559 N SER A 29 -3.487 12.454 -2.090 1.00 0.00 N ATOM 560 CA SER A 29 -3.482 13.639 -1.238 1.00 0.00 C ATOM 561 C SER A 29 -4.439 14.702 -1.772 1.00 0.00 C ATOM 562 O SER A 29 -5.478 14.972 -1.173 1.00 0.00 O ATOM 563 CB SER A 29 -2.067 14.213 -1.136 1.00 0.00 C ATOM 564 OG SER A 29 -2.087 15.529 -0.614 1.00 0.00 O ATOM 0 H SER A 29 -3.892 12.600 -3.015 1.00 0.00 H new ATOM 0 HA SER A 29 -3.819 13.342 -0.245 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.457 13.574 -0.497 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.601 14.216 -2.121 1.00 0.00 H new ATOM 0 HG SER A 29 -1.171 15.872 -0.557 1.00 0.00 H new ATOM 570 N SER A 30 -4.078 15.304 -2.902 1.00 0.00 N ATOM 571 CA SER A 30 -4.904 16.340 -3.513 1.00 0.00 C ATOM 572 C SER A 30 -6.250 15.776 -3.959 1.00 0.00 C ATOM 573 O SER A 30 -7.266 16.468 -3.922 1.00 0.00 O ATOM 574 CB SER A 30 -4.179 16.962 -4.707 1.00 0.00 C ATOM 575 OG SER A 30 -2.779 16.758 -4.616 1.00 0.00 O ATOM 0 H SER A 30 -3.220 15.092 -3.412 1.00 0.00 H new ATOM 0 HA SER A 30 -5.085 17.111 -2.764 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.554 16.525 -5.632 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.392 18.030 -4.750 1.00 0.00 H new ATOM 0 HG SER A 30 -2.338 17.163 -5.392 1.00 0.00 H new ATOM 581 N SER A 31 -6.248 14.517 -4.384 1.00 0.00 N ATOM 582 CA SER A 31 -7.468 13.860 -4.841 1.00 0.00 C ATOM 583 C SER A 31 -8.559 13.913 -3.772 1.00 0.00 C ATOM 584 O SER A 31 -9.747 13.831 -4.082 1.00 0.00 O ATOM 585 CB SER A 31 -7.181 12.404 -5.213 1.00 0.00 C ATOM 586 OG SER A 31 -8.202 11.879 -6.044 1.00 0.00 O ATOM 0 H SER A 31 -5.414 13.930 -4.422 1.00 0.00 H new ATOM 0 HA SER A 31 -7.823 14.394 -5.722 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.221 12.339 -5.726 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.100 11.803 -4.307 1.00 0.00 H new ATOM 0 HG SER A 31 -8.507 11.020 -5.684 1.00 0.00 H new ATOM 592 N TRP A 32 -8.149 14.050 -2.515 1.00 0.00 N ATOM 593 CA TRP A 32 -9.095 14.112 -1.406 1.00 0.00 C ATOM 594 C TRP A 32 -9.192 15.527 -0.833 1.00 0.00 C ATOM 595 O TRP A 32 -9.805 15.739 0.213 1.00 0.00 O ATOM 596 CB TRP A 32 -8.683 13.135 -0.303 1.00 0.00 C ATOM 597 CG TRP A 32 -8.245 11.798 -0.823 1.00 0.00 C ATOM 598 CD1 TRP A 32 -7.149 11.542 -1.599 1.00 0.00 C ATOM 599 CD2 TRP A 32 -8.889 10.539 -0.608 1.00 0.00 C ATOM 600 NE1 TRP A 32 -7.075 10.199 -1.879 1.00 0.00 N ATOM 601 CE2 TRP A 32 -8.131 9.561 -1.281 1.00 0.00 C ATOM 602 CE3 TRP A 32 -10.034 10.141 0.088 1.00 0.00 C ATOM 603 CZ2 TRP A 32 -8.482 8.213 -1.277 1.00 0.00 C ATOM 604 CZ3 TRP A 32 -10.382 8.803 0.092 1.00 0.00 C ATOM 605 CH2 TRP A 32 -9.608 7.853 -0.588 1.00 0.00 C ATOM 0 H TRP A 32 -7.170 14.120 -2.239 1.00 0.00 H new ATOM 0 HA TRP A 32 -10.076 13.832 -1.791 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.871 13.575 0.277 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.522 12.994 0.379 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.445 12.286 -1.942 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.352 9.750 -2.441 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -10.637 10.867 0.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -7.887 7.478 -1.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -11.264 8.485 0.628 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.906 6.815 -0.568 1.00 0.00 H new ATOM 616 N ALA A 33 -8.586 16.493 -1.522 1.00 0.00 N ATOM 617 CA ALA A 33 -8.610 17.882 -1.075 1.00 0.00 C ATOM 618 C ALA A 33 -10.039 18.370 -0.856 1.00 0.00 C ATOM 619 O ALA A 33 -10.411 18.750 0.254 1.00 0.00 O ATOM 620 CB ALA A 33 -7.893 18.771 -2.079 1.00 0.00 C ATOM 0 H ALA A 33 -8.074 16.338 -2.390 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.089 17.937 -0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.918 19.804 -1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.857 18.447 -2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.389 18.700 -3.047 1.00 0.00 H new ATOM 626 N ASP A 34 -10.836 18.357 -1.921 1.00 0.00 N ATOM 627 CA ASP A 34 -12.225 18.798 -1.838 1.00 0.00 C ATOM 628 C ASP A 34 -13.136 17.676 -1.339 1.00 0.00 C ATOM 629 O ASP A 34 -14.352 17.849 -1.254 1.00 0.00 O ATOM 630 CB ASP A 34 -12.708 19.296 -3.203 1.00 0.00 C ATOM 631 CG ASP A 34 -12.461 18.288 -4.308 1.00 0.00 C ATOM 632 OD1 ASP A 34 -12.206 17.108 -3.990 1.00 0.00 O ATOM 633 OD2 ASP A 34 -12.519 18.680 -5.492 1.00 0.00 O ATOM 0 H ASP A 34 -10.545 18.047 -2.848 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.271 19.618 -1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.774 19.518 -3.149 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.200 20.229 -3.446 1.00 0.00 H new ATOM 638 N GLY A 35 -12.548 16.529 -1.005 1.00 0.00 N ATOM 639 CA GLY A 35 -13.330 15.407 -0.519 1.00 0.00 C ATOM 640 C GLY A 35 -14.164 14.760 -1.607 1.00 0.00 C ATOM 641 O GLY A 35 -15.238 14.224 -1.337 1.00 0.00 O ATOM 0 H GLY A 35 -11.544 16.358 -1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.661 14.662 -0.089 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.986 15.747 0.282 1.00 0.00 H new ATOM 645 N LEU A 36 -13.671 14.809 -2.839 1.00 0.00 N ATOM 646 CA LEU A 36 -14.379 14.223 -3.971 1.00 0.00 C ATOM 647 C LEU A 36 -14.268 12.701 -3.957 1.00 0.00 C ATOM 648 O LEU A 36 -15.202 11.996 -4.341 1.00 0.00 O ATOM 649 CB LEU A 36 -13.827 14.778 -5.287 1.00 0.00 C ATOM 650 CG LEU A 36 -14.738 15.780 -5.999 1.00 0.00 C ATOM 651 CD1 LEU A 36 -16.017 15.098 -6.464 1.00 0.00 C ATOM 652 CD2 LEU A 36 -15.057 16.956 -5.086 1.00 0.00 C ATOM 0 H LEU A 36 -12.783 15.249 -3.080 1.00 0.00 H new ATOM 0 HA LEU A 36 -15.432 14.490 -3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.869 15.259 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.631 13.945 -5.962 1.00 0.00 H new ATOM 0 HG LEU A 36 -14.214 16.161 -6.875 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -16.654 15.825 -6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -15.769 14.292 -7.154 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -16.545 14.689 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.706 17.658 -5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.562 16.595 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.132 17.459 -4.803 1.00 0.00 H new ATOM 664 N ALA A 37 -13.119 12.200 -3.515 1.00 0.00 N ATOM 665 CA ALA A 37 -12.886 10.761 -3.454 1.00 0.00 C ATOM 666 C ALA A 37 -13.755 10.103 -2.388 1.00 0.00 C ATOM 667 O ALA A 37 -14.387 9.076 -2.636 1.00 0.00 O ATOM 668 CB ALA A 37 -11.415 10.478 -3.187 1.00 0.00 C ATOM 0 H ALA A 37 -12.335 12.768 -3.194 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.161 10.334 -4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.254 9.401 -3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.811 10.903 -3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.125 10.927 -2.237 1.00 0.00 H new ATOM 674 N LEU A 38 -13.781 10.698 -1.199 1.00 0.00 N ATOM 675 CA LEU A 38 -14.571 10.165 -0.095 1.00 0.00 C ATOM 676 C LEU A 38 -16.062 10.217 -0.413 1.00 0.00 C ATOM 677 O LEU A 38 -16.786 9.244 -0.198 1.00 0.00 O ATOM 678 CB LEU A 38 -14.282 10.944 1.190 1.00 0.00 C ATOM 679 CG LEU A 38 -14.217 10.096 2.461 1.00 0.00 C ATOM 680 CD1 LEU A 38 -13.922 10.969 3.671 1.00 0.00 C ATOM 681 CD2 LEU A 38 -15.518 9.333 2.658 1.00 0.00 C ATOM 0 H LEU A 38 -13.264 11.549 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.288 9.122 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.334 11.469 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.053 11.704 1.317 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.407 9.375 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -13.880 10.348 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.965 11.472 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.710 11.714 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.455 8.735 3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -16.344 10.039 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -15.689 8.678 1.804 1.00 0.00 H new ATOM 693 N CYS A 39 -16.515 11.355 -0.926 1.00 0.00 N ATOM 694 CA CYS A 39 -17.922 11.527 -1.273 1.00 0.00 C ATOM 695 C CYS A 39 -18.293 10.664 -2.474 1.00 0.00 C ATOM 696 O CYS A 39 -19.411 10.158 -2.564 1.00 0.00 O ATOM 697 CB CYS A 39 -18.223 12.997 -1.571 1.00 0.00 C ATOM 698 SG CYS A 39 -17.910 14.112 -0.183 1.00 0.00 S ATOM 0 H CYS A 39 -15.931 12.171 -1.111 1.00 0.00 H new ATOM 0 HA CYS A 39 -18.522 11.210 -0.420 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -17.620 13.315 -2.421 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -19.267 13.090 -1.869 1.00 0.00 H new ATOM 0 HG CYS A 39 -16.670 14.501 -0.210 1.00 0.00 H new ATOM 704 N ALA A 40 -17.345 10.497 -3.390 1.00 0.00 N ATOM 705 CA ALA A 40 -17.573 9.692 -4.584 1.00 0.00 C ATOM 706 C ALA A 40 -17.921 8.256 -4.213 1.00 0.00 C ATOM 707 O ALA A 40 -18.802 7.644 -4.818 1.00 0.00 O ATOM 708 CB ALA A 40 -16.346 9.725 -5.482 1.00 0.00 C ATOM 0 H ALA A 40 -16.413 10.908 -3.329 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.418 10.116 -5.127 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.529 9.120 -6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.140 10.753 -5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.488 9.325 -4.941 1.00 0.00 H new ATOM 714 N LEU A 41 -17.226 7.723 -3.214 1.00 0.00 N ATOM 715 CA LEU A 41 -17.464 6.358 -2.760 1.00 0.00 C ATOM 716 C LEU A 41 -18.810 6.249 -2.050 1.00 0.00 C ATOM 717 O LEU A 41 -19.627 5.390 -2.378 1.00 0.00 O ATOM 718 CB LEU A 41 -16.342 5.906 -1.822 1.00 0.00 C ATOM 719 CG LEU A 41 -14.962 5.795 -2.473 1.00 0.00 C ATOM 720 CD1 LEU A 41 -13.868 5.921 -1.423 1.00 0.00 C ATOM 721 CD2 LEU A 41 -14.832 4.480 -3.225 1.00 0.00 C ATOM 0 H LEU A 41 -16.493 8.216 -2.703 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.480 5.708 -3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.280 6.607 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.608 4.936 -1.402 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.850 6.611 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.892 5.840 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.949 6.888 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.977 5.125 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.844 4.418 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.964 3.650 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.595 4.428 -4.002 1.00 0.00 H new ATOM 733 N VAL A 42 -19.034 7.129 -1.078 1.00 0.00 N ATOM 734 CA VAL A 42 -20.282 7.131 -0.324 1.00 0.00 C ATOM 735 C VAL A 42 -21.478 7.334 -1.250 1.00 0.00 C ATOM 736 O VAL A 42 -22.500 6.663 -1.117 1.00 0.00 O ATOM 737 CB VAL A 42 -20.287 8.233 0.754 1.00 0.00 C ATOM 738 CG1 VAL A 42 -21.534 8.131 1.619 1.00 0.00 C ATOM 739 CG2 VAL A 42 -19.028 8.152 1.605 1.00 0.00 C ATOM 0 H VAL A 42 -18.368 7.848 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.361 6.159 0.163 1.00 0.00 H new ATOM 0 HB VAL A 42 -20.299 9.203 0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -21.519 8.917 2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -22.420 8.244 0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -21.558 7.158 2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -19.048 8.937 2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.981 7.179 2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.151 8.282 0.971 1.00 0.00 H new ATOM 749 N TYR A 43 -21.340 8.265 -2.187 1.00 0.00 N ATOM 750 CA TYR A 43 -22.407 8.558 -3.138 1.00 0.00 C ATOM 751 C TYR A 43 -22.753 7.323 -3.964 1.00 0.00 C ATOM 752 O TYR A 43 -23.918 7.077 -4.273 1.00 0.00 O ATOM 753 CB TYR A 43 -21.996 9.706 -4.062 1.00 0.00 C ATOM 754 CG TYR A 43 -23.110 10.188 -4.963 1.00 0.00 C ATOM 755 CD1 TYR A 43 -24.129 10.992 -4.470 1.00 0.00 C ATOM 756 CD2 TYR A 43 -23.142 9.839 -6.308 1.00 0.00 C ATOM 757 CE1 TYR A 43 -25.150 11.433 -5.288 1.00 0.00 C ATOM 758 CE2 TYR A 43 -24.160 10.278 -7.133 1.00 0.00 C ATOM 759 CZ TYR A 43 -25.161 11.073 -6.620 1.00 0.00 C ATOM 760 OH TYR A 43 -26.176 11.511 -7.438 1.00 0.00 O ATOM 0 H TYR A 43 -20.500 8.830 -2.309 1.00 0.00 H new ATOM 0 HA TYR A 43 -23.291 8.855 -2.574 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -21.644 10.541 -3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -21.157 9.383 -4.678 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -24.123 11.277 -3.428 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -22.360 9.215 -6.714 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -25.936 12.056 -4.888 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -24.171 9.999 -8.176 1.00 0.00 H new ATOM 0 HH TYR A 43 -26.035 11.170 -8.346 1.00 0.00 H new ATOM 770 N ARG A 44 -21.732 6.551 -4.320 1.00 0.00 N ATOM 771 CA ARG A 44 -21.927 5.342 -5.111 1.00 0.00 C ATOM 772 C ARG A 44 -22.778 4.328 -4.352 1.00 0.00 C ATOM 773 O ARG A 44 -23.648 3.676 -4.930 1.00 0.00 O ATOM 774 CB ARG A 44 -20.575 4.724 -5.478 1.00 0.00 C ATOM 775 CG ARG A 44 -20.265 4.779 -6.965 1.00 0.00 C ATOM 776 CD ARG A 44 -21.098 3.775 -7.748 1.00 0.00 C ATOM 777 NE ARG A 44 -22.022 4.431 -8.670 1.00 0.00 N ATOM 778 CZ ARG A 44 -23.078 3.830 -9.214 1.00 0.00 C ATOM 779 NH1 ARG A 44 -23.345 2.561 -8.932 1.00 0.00 N ATOM 780 NH2 ARG A 44 -23.867 4.499 -10.043 1.00 0.00 N ATOM 0 H ARG A 44 -20.761 6.741 -4.073 1.00 0.00 H new ATOM 0 HA ARG A 44 -22.452 5.615 -6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -19.787 5.243 -4.932 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -20.559 3.685 -5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -20.458 5.784 -7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -19.206 4.577 -7.124 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -20.437 3.113 -8.307 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -21.661 3.151 -7.054 1.00 0.00 H new ATOM 0 HE ARG A 44 -21.848 5.407 -8.911 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -22.740 2.042 -8.296 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -24.155 2.105 -9.351 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -23.665 5.474 -10.264 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -24.676 4.039 -10.460 1.00 0.00 H new ATOM 794 N LEU A 45 -22.525 4.202 -3.053 1.00 0.00 N ATOM 795 CA LEU A 45 -23.272 3.271 -2.215 1.00 0.00 C ATOM 796 C LEU A 45 -24.630 3.852 -1.835 1.00 0.00 C ATOM 797 O LEU A 45 -25.654 3.176 -1.927 1.00 0.00 O ATOM 798 CB LEU A 45 -22.475 2.935 -0.954 1.00 0.00 C ATOM 799 CG LEU A 45 -21.420 1.840 -1.127 1.00 0.00 C ATOM 800 CD1 LEU A 45 -22.081 0.498 -1.401 1.00 0.00 C ATOM 801 CD2 LEU A 45 -20.458 2.201 -2.249 1.00 0.00 C ATOM 0 H LEU A 45 -21.808 4.733 -2.558 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.436 2.357 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.982 3.841 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.171 2.628 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 45 -20.853 1.759 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -21.314 -0.267 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.729 0.234 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -22.674 0.564 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -19.714 1.412 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -21.011 2.310 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -19.958 3.140 -2.012 1.00 0.00 H new ATOM 813 N GLN A 46 -24.629 5.112 -1.412 1.00 0.00 N ATOM 814 CA GLN A 46 -25.859 5.791 -1.021 1.00 0.00 C ATOM 815 C GLN A 46 -25.915 7.194 -1.623 1.00 0.00 C ATOM 816 O GLN A 46 -25.619 8.180 -0.947 1.00 0.00 O ATOM 817 CB GLN A 46 -25.964 5.863 0.505 1.00 0.00 C ATOM 818 CG GLN A 46 -27.101 5.031 1.076 1.00 0.00 C ATOM 819 CD GLN A 46 -26.628 3.704 1.635 1.00 0.00 C ATOM 820 OE1 GLN A 46 -26.531 2.712 0.912 1.00 0.00 O ATOM 821 NE2 GLN A 46 -26.330 3.678 2.929 1.00 0.00 N ATOM 0 H GLN A 46 -23.789 5.684 -1.331 1.00 0.00 H new ATOM 0 HA GLN A 46 -26.704 5.219 -1.404 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -25.024 5.527 0.942 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -26.100 6.903 0.803 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -27.600 5.596 1.864 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -27.841 4.850 0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -26.425 4.524 3.491 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -26.006 2.812 3.360 1.00 0.00 H new ATOM 830 N PRO A 47 -26.293 7.298 -2.907 1.00 0.00 N ATOM 831 CA PRO A 47 -26.382 8.588 -3.602 1.00 0.00 C ATOM 832 C PRO A 47 -27.519 9.456 -3.077 1.00 0.00 C ATOM 833 O PRO A 47 -27.444 10.685 -3.115 1.00 0.00 O ATOM 834 CB PRO A 47 -26.641 8.192 -5.058 1.00 0.00 C ATOM 835 CG PRO A 47 -27.274 6.846 -4.978 1.00 0.00 C ATOM 836 CD PRO A 47 -26.659 6.171 -3.785 1.00 0.00 C ATOM 0 HA PRO A 47 -25.482 9.186 -3.462 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -27.296 8.909 -5.553 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -25.714 8.160 -5.630 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -28.355 6.929 -4.865 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -27.091 6.274 -5.888 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -27.362 5.495 -3.299 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.787 5.579 -4.063 1.00 0.00 H new ATOM 844 N GLY A 48 -28.571 8.812 -2.589 1.00 0.00 N ATOM 845 CA GLY A 48 -29.709 9.542 -2.063 1.00 0.00 C ATOM 846 C GLY A 48 -29.399 10.232 -0.748 1.00 0.00 C ATOM 847 O GLY A 48 -29.940 11.298 -0.456 1.00 0.00 O ATOM 0 H GLY A 48 -28.657 7.796 -2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.029 10.285 -2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -30.543 8.855 -1.921 1.00 0.00 H new ATOM 851 N LEU A 49 -28.529 9.617 0.048 1.00 0.00 N ATOM 852 CA LEU A 49 -28.152 10.175 1.341 1.00 0.00 C ATOM 853 C LEU A 49 -26.841 10.953 1.245 1.00 0.00 C ATOM 854 O LEU A 49 -26.126 11.100 2.235 1.00 0.00 O ATOM 855 CB LEU A 49 -28.019 9.058 2.378 1.00 0.00 C ATOM 856 CG LEU A 49 -29.340 8.452 2.854 1.00 0.00 C ATOM 857 CD1 LEU A 49 -30.106 9.447 3.714 1.00 0.00 C ATOM 858 CD2 LEU A 49 -30.185 8.009 1.670 1.00 0.00 C ATOM 0 H LEU A 49 -28.073 8.734 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 49 -28.937 10.865 1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -27.404 8.263 1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -27.484 9.449 3.243 1.00 0.00 H new ATOM 0 HG LEU A 49 -29.114 7.575 3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -31.043 8.998 4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -29.506 9.713 4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -30.318 10.343 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -31.120 7.581 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -30.400 8.868 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -29.641 7.260 1.095 1.00 0.00 H new ATOM 870 N LEU A 50 -26.531 11.448 0.051 1.00 0.00 N ATOM 871 CA LEU A 50 -25.305 12.208 -0.165 1.00 0.00 C ATOM 872 C LEU A 50 -25.502 13.274 -1.241 1.00 0.00 C ATOM 873 O LEU A 50 -26.492 13.258 -1.972 1.00 0.00 O ATOM 874 CB LEU A 50 -24.162 11.267 -0.560 1.00 0.00 C ATOM 875 CG LEU A 50 -22.996 11.213 0.427 1.00 0.00 C ATOM 876 CD1 LEU A 50 -22.343 12.578 0.562 1.00 0.00 C ATOM 877 CD2 LEU A 50 -23.467 10.707 1.782 1.00 0.00 C ATOM 0 H LEU A 50 -27.111 11.337 -0.781 1.00 0.00 H new ATOM 0 HA LEU A 50 -25.049 12.709 0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -24.565 10.261 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -23.780 11.574 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 50 -22.252 10.517 0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.516 12.517 1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.967 12.899 -0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -23.077 13.298 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.624 10.675 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -24.232 11.377 2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -23.883 9.706 1.672 1.00 0.00 H new ATOM 889 N GLU A 51 -24.548 14.196 -1.332 1.00 0.00 N ATOM 890 CA GLU A 51 -24.606 15.270 -2.317 1.00 0.00 C ATOM 891 C GLU A 51 -23.200 15.768 -2.653 1.00 0.00 C ATOM 892 O GLU A 51 -22.876 16.936 -2.436 1.00 0.00 O ATOM 893 CB GLU A 51 -25.463 16.427 -1.795 1.00 0.00 C ATOM 894 CG GLU A 51 -26.921 16.342 -2.213 1.00 0.00 C ATOM 895 CD GLU A 51 -27.125 16.643 -3.686 1.00 0.00 C ATOM 896 OE1 GLU A 51 -26.240 16.287 -4.492 1.00 0.00 O ATOM 897 OE2 GLU A 51 -28.168 17.235 -4.032 1.00 0.00 O ATOM 0 H GLU A 51 -23.723 14.220 -0.733 1.00 0.00 H new ATOM 0 HA GLU A 51 -25.062 14.877 -3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -25.407 16.447 -0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -25.045 17.368 -2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -27.300 15.344 -1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -27.507 17.043 -1.618 1.00 0.00 H new ATOM 904 N PRO A 52 -22.345 14.881 -3.193 1.00 0.00 N ATOM 905 CA PRO A 52 -20.968 15.224 -3.560 1.00 0.00 C ATOM 906 C PRO A 52 -20.894 16.463 -4.444 1.00 0.00 C ATOM 907 O PRO A 52 -19.952 17.249 -4.350 1.00 0.00 O ATOM 908 CB PRO A 52 -20.469 13.988 -4.328 1.00 0.00 C ATOM 909 CG PRO A 52 -21.688 13.170 -4.602 1.00 0.00 C ATOM 910 CD PRO A 52 -22.648 13.477 -3.492 1.00 0.00 C ATOM 0 HA PRO A 52 -20.368 15.462 -2.682 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.973 14.276 -5.255 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.744 13.426 -3.739 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -22.118 13.423 -5.571 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -21.447 12.107 -4.627 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -23.684 13.342 -3.802 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -22.488 12.834 -2.627 1.00 0.00 H new ATOM 918 N SER A 53 -21.892 16.634 -5.304 1.00 0.00 N ATOM 919 CA SER A 53 -21.935 17.781 -6.205 1.00 0.00 C ATOM 920 C SER A 53 -21.812 19.087 -5.430 1.00 0.00 C ATOM 921 O SER A 53 -21.020 19.959 -5.783 1.00 0.00 O ATOM 922 CB SER A 53 -23.234 17.773 -7.013 1.00 0.00 C ATOM 923 OG SER A 53 -23.037 18.335 -8.300 1.00 0.00 O ATOM 0 H SER A 53 -22.681 15.994 -5.397 1.00 0.00 H new ATOM 0 HA SER A 53 -21.090 17.706 -6.889 1.00 0.00 H new ATOM 0 HB2 SER A 53 -23.599 16.751 -7.111 1.00 0.00 H new ATOM 0 HB3 SER A 53 -24.001 18.335 -6.480 1.00 0.00 H new ATOM 0 HG SER A 53 -23.881 18.317 -8.798 1.00 0.00 H new ATOM 929 N GLU A 54 -22.602 19.210 -4.371 1.00 0.00 N ATOM 930 CA GLU A 54 -22.583 20.407 -3.540 1.00 0.00 C ATOM 931 C GLU A 54 -21.305 20.483 -2.710 1.00 0.00 C ATOM 932 O GLU A 54 -20.622 21.506 -2.694 1.00 0.00 O ATOM 933 CB GLU A 54 -23.802 20.428 -2.616 1.00 0.00 C ATOM 934 CG GLU A 54 -25.129 20.414 -3.359 1.00 0.00 C ATOM 935 CD GLU A 54 -26.243 21.079 -2.573 1.00 0.00 C ATOM 936 OE1 GLU A 54 -26.823 20.414 -1.688 1.00 0.00 O ATOM 937 OE2 GLU A 54 -26.537 22.262 -2.842 1.00 0.00 O ATOM 0 H GLU A 54 -23.264 18.496 -4.067 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.615 21.273 -4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.758 19.566 -1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.756 21.318 -1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -25.011 20.922 -4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -25.408 19.383 -3.578 1.00 0.00 H new ATOM 944 N LEU A 55 -20.989 19.390 -2.021 1.00 0.00 N ATOM 945 CA LEU A 55 -19.797 19.325 -1.180 1.00 0.00 C ATOM 946 C LEU A 55 -18.516 19.440 -2.004 1.00 0.00 C ATOM 947 O LEU A 55 -17.435 19.655 -1.457 1.00 0.00 O ATOM 948 CB LEU A 55 -19.786 18.019 -0.385 1.00 0.00 C ATOM 949 CG LEU A 55 -21.059 17.737 0.416 1.00 0.00 C ATOM 950 CD1 LEU A 55 -20.899 16.474 1.247 1.00 0.00 C ATOM 951 CD2 LEU A 55 -21.403 18.924 1.305 1.00 0.00 C ATOM 0 H LEU A 55 -21.544 18.534 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.831 20.171 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.619 17.192 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.940 18.037 0.301 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.880 17.583 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.814 16.290 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.701 15.628 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.066 16.597 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.311 18.706 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.582 19.109 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -21.562 19.807 0.687 1.00 0.00 H new ATOM 963 N GLN A 56 -18.636 19.285 -3.317 1.00 0.00 N ATOM 964 CA GLN A 56 -17.483 19.360 -4.203 1.00 0.00 C ATOM 965 C GLN A 56 -16.841 20.744 -4.182 1.00 0.00 C ATOM 966 O GLN A 56 -15.617 20.869 -4.210 1.00 0.00 O ATOM 967 CB GLN A 56 -17.898 19.003 -5.630 1.00 0.00 C ATOM 968 CG GLN A 56 -16.753 19.061 -6.630 1.00 0.00 C ATOM 969 CD GLN A 56 -17.109 19.843 -7.879 1.00 0.00 C ATOM 970 OE1 GLN A 56 -17.129 21.074 -7.871 1.00 0.00 O ATOM 971 NE2 GLN A 56 -17.393 19.130 -8.962 1.00 0.00 N ATOM 0 H GLN A 56 -19.521 19.106 -3.791 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.743 18.644 -3.845 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.323 17.999 -5.635 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.685 19.685 -5.952 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -15.884 19.517 -6.156 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -16.468 18.047 -6.910 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -17.364 18.111 -8.924 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -17.640 19.601 -9.832 1.00 0.00 H new ATOM 980 N GLY A 57 -17.669 21.779 -4.141 1.00 0.00 N ATOM 981 CA GLY A 57 -17.153 23.136 -4.130 1.00 0.00 C ATOM 982 C GLY A 57 -17.406 23.861 -2.822 1.00 0.00 C ATOM 983 O GLY A 57 -16.895 24.961 -2.612 1.00 0.00 O ATOM 0 H GLY A 57 -18.686 21.705 -4.115 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -16.080 23.112 -4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -17.610 23.698 -4.944 1.00 0.00 H new ATOM 987 N LEU A 58 -18.190 23.253 -1.939 1.00 0.00 N ATOM 988 CA LEU A 58 -18.495 23.863 -0.649 1.00 0.00 C ATOM 989 C LEU A 58 -17.219 24.124 0.142 1.00 0.00 C ATOM 990 O LEU A 58 -17.139 25.078 0.915 1.00 0.00 O ATOM 991 CB LEU A 58 -19.437 22.965 0.157 1.00 0.00 C ATOM 992 CG LEU A 58 -20.894 23.434 0.204 1.00 0.00 C ATOM 993 CD1 LEU A 58 -21.811 22.404 -0.440 1.00 0.00 C ATOM 994 CD2 LEU A 58 -21.321 23.707 1.639 1.00 0.00 C ATOM 0 H LEU A 58 -18.624 22.343 -2.091 1.00 0.00 H new ATOM 0 HA LEU A 58 -18.988 24.817 -0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.408 21.961 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.061 22.892 1.178 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.973 24.363 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.842 22.756 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.521 22.259 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -21.728 21.458 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.359 24.039 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.224 22.794 2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -20.686 24.483 2.066 1.00 0.00 H new ATOM 1006 N GLY A 59 -16.221 23.269 -0.057 1.00 0.00 N ATOM 1007 CA GLY A 59 -14.962 23.427 0.646 1.00 0.00 C ATOM 1008 C GLY A 59 -14.343 22.099 1.034 1.00 0.00 C ATOM 1009 O GLY A 59 -15.041 21.095 1.168 1.00 0.00 O ATOM 0 H GLY A 59 -16.262 22.471 -0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.265 23.979 0.016 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.123 24.025 1.543 1.00 0.00 H new ATOM 1013 N ALA A 60 -13.026 22.092 1.213 1.00 0.00 N ATOM 1014 CA ALA A 60 -12.312 20.879 1.586 1.00 0.00 C ATOM 1015 C ALA A 60 -12.748 20.385 2.960 1.00 0.00 C ATOM 1016 O ALA A 60 -13.248 19.269 3.101 1.00 0.00 O ATOM 1017 CB ALA A 60 -10.810 21.122 1.562 1.00 0.00 C ATOM 0 H ALA A 60 -12.432 22.914 1.105 1.00 0.00 H new ATOM 0 HA ALA A 60 -12.556 20.106 0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.289 20.207 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.506 21.420 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.558 21.914 2.267 1.00 0.00 H new ATOM 1023 N LEU A 61 -12.554 21.223 3.973 1.00 0.00 N ATOM 1024 CA LEU A 61 -12.926 20.872 5.340 1.00 0.00 C ATOM 1025 C LEU A 61 -14.424 20.604 5.449 1.00 0.00 C ATOM 1026 O LEU A 61 -14.853 19.715 6.184 1.00 0.00 O ATOM 1027 CB LEU A 61 -12.525 21.993 6.301 1.00 0.00 C ATOM 1028 CG LEU A 61 -11.133 21.847 6.919 1.00 0.00 C ATOM 1029 CD1 LEU A 61 -11.099 20.671 7.882 1.00 0.00 C ATOM 1030 CD2 LEU A 61 -10.084 21.679 5.832 1.00 0.00 C ATOM 0 H LEU A 61 -12.141 22.150 3.874 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.394 19.960 5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -12.572 22.942 5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.260 22.042 7.105 1.00 0.00 H new ATOM 0 HG LEU A 61 -10.906 22.755 7.478 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.102 20.582 8.312 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -11.825 20.832 8.679 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -11.346 19.755 7.346 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.100 21.577 6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.307 20.787 5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -10.092 22.553 5.180 1.00 0.00 H new ATOM 1042 N GLU A 62 -15.216 21.382 4.717 1.00 0.00 N ATOM 1043 CA GLU A 62 -16.665 21.230 4.737 1.00 0.00 C ATOM 1044 C GLU A 62 -17.088 19.920 4.078 1.00 0.00 C ATOM 1045 O GLU A 62 -17.911 19.182 4.619 1.00 0.00 O ATOM 1046 CB GLU A 62 -17.332 22.412 4.027 1.00 0.00 C ATOM 1047 CG GLU A 62 -17.910 23.445 4.982 1.00 0.00 C ATOM 1048 CD GLU A 62 -16.921 24.541 5.323 1.00 0.00 C ATOM 1049 OE1 GLU A 62 -16.540 25.304 4.409 1.00 0.00 O ATOM 1050 OE2 GLU A 62 -16.526 24.639 6.505 1.00 0.00 O ATOM 0 H GLU A 62 -14.878 22.123 4.103 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.988 21.210 5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.601 22.896 3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.128 22.037 3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.800 23.889 4.536 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.228 22.949 5.899 1.00 0.00 H new ATOM 1057 N ALA A 63 -16.523 19.638 2.910 1.00 0.00 N ATOM 1058 CA ALA A 63 -16.846 18.418 2.179 1.00 0.00 C ATOM 1059 C ALA A 63 -16.413 17.177 2.954 1.00 0.00 C ATOM 1060 O ALA A 63 -17.152 16.197 3.038 1.00 0.00 O ATOM 1061 CB ALA A 63 -16.189 18.436 0.807 1.00 0.00 C ATOM 0 H ALA A 63 -15.839 20.237 2.449 1.00 0.00 H new ATOM 0 HA ALA A 63 -17.928 18.378 2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.438 17.520 0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.550 19.295 0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.107 18.506 0.922 1.00 0.00 H new ATOM 1067 N THR A 64 -15.210 17.227 3.515 1.00 0.00 N ATOM 1068 CA THR A 64 -14.679 16.105 4.281 1.00 0.00 C ATOM 1069 C THR A 64 -15.471 15.893 5.566 1.00 0.00 C ATOM 1070 O THR A 64 -15.884 14.774 5.874 1.00 0.00 O ATOM 1071 CB THR A 64 -13.204 16.341 4.611 1.00 0.00 C ATOM 1072 OG1 THR A 64 -12.496 16.773 3.463 1.00 0.00 O ATOM 1073 CG2 THR A 64 -12.505 15.109 5.145 1.00 0.00 C ATOM 0 H THR A 64 -14.585 18.031 3.454 1.00 0.00 H new ATOM 0 HA THR A 64 -14.771 15.207 3.670 1.00 0.00 H new ATOM 0 HB THR A 64 -13.201 17.106 5.388 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.455 17.752 3.453 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.463 15.346 5.358 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.997 14.779 6.060 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.551 14.313 4.401 1.00 0.00 H new ATOM 1081 N ALA A 65 -15.677 16.970 6.315 1.00 0.00 N ATOM 1082 CA ALA A 65 -16.416 16.901 7.571 1.00 0.00 C ATOM 1083 C ALA A 65 -17.837 16.394 7.352 1.00 0.00 C ATOM 1084 O ALA A 65 -18.332 15.562 8.113 1.00 0.00 O ATOM 1085 CB ALA A 65 -16.440 18.264 8.243 1.00 0.00 C ATOM 0 H ALA A 65 -15.342 17.903 6.074 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.905 16.192 8.223 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.995 18.198 9.179 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.419 18.587 8.448 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.923 18.986 7.585 1.00 0.00 H new ATOM 1091 N TRP A 66 -18.492 16.900 6.313 1.00 0.00 N ATOM 1092 CA TRP A 66 -19.860 16.497 6.001 1.00 0.00 C ATOM 1093 C TRP A 66 -19.917 15.038 5.566 1.00 0.00 C ATOM 1094 O TRP A 66 -20.724 14.259 6.072 1.00 0.00 O ATOM 1095 CB TRP A 66 -20.441 17.391 4.904 1.00 0.00 C ATOM 1096 CG TRP A 66 -21.912 17.633 5.051 1.00 0.00 C ATOM 1097 CD1 TRP A 66 -22.512 18.729 5.599 1.00 0.00 C ATOM 1098 CD2 TRP A 66 -22.970 16.756 4.647 1.00 0.00 C ATOM 1099 NE1 TRP A 66 -23.878 18.589 5.559 1.00 0.00 N ATOM 1100 CE2 TRP A 66 -24.184 17.386 4.979 1.00 0.00 C ATOM 1101 CE3 TRP A 66 -23.009 15.499 4.036 1.00 0.00 C ATOM 1102 CZ2 TRP A 66 -25.421 16.802 4.720 1.00 0.00 C ATOM 1103 CZ3 TRP A 66 -24.239 14.921 3.779 1.00 0.00 C ATOM 1104 CH2 TRP A 66 -25.430 15.573 4.122 1.00 0.00 C ATOM 0 H TRP A 66 -18.099 17.590 5.672 1.00 0.00 H new ATOM 0 HA TRP A 66 -20.457 16.609 6.906 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -19.920 18.348 4.912 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -20.251 16.933 3.933 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -21.989 19.582 6.005 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -24.554 19.270 5.905 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -22.095 14.989 3.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -26.341 17.303 4.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -24.282 13.951 3.306 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -26.375 15.095 3.910 1.00 0.00 H new ATOM 1115 N ALA A 67 -19.059 14.673 4.618 1.00 0.00 N ATOM 1116 CA ALA A 67 -19.017 13.307 4.111 1.00 0.00 C ATOM 1117 C ALA A 67 -18.623 12.320 5.205 1.00 0.00 C ATOM 1118 O ALA A 67 -19.178 11.225 5.293 1.00 0.00 O ATOM 1119 CB ALA A 67 -18.050 13.210 2.941 1.00 0.00 C ATOM 0 H ALA A 67 -18.384 15.304 4.186 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.018 13.045 3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -18.028 12.185 2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.377 13.876 2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.052 13.499 3.269 1.00 0.00 H new ATOM 1125 N LEU A 68 -17.658 12.710 6.031 1.00 0.00 N ATOM 1126 CA LEU A 68 -17.188 11.852 7.115 1.00 0.00 C ATOM 1127 C LEU A 68 -18.288 11.614 8.146 1.00 0.00 C ATOM 1128 O LEU A 68 -18.462 10.497 8.631 1.00 0.00 O ATOM 1129 CB LEU A 68 -15.966 12.476 7.791 1.00 0.00 C ATOM 1130 CG LEU A 68 -14.619 12.090 7.176 1.00 0.00 C ATOM 1131 CD1 LEU A 68 -13.566 13.137 7.499 1.00 0.00 C ATOM 1132 CD2 LEU A 68 -14.182 10.720 7.671 1.00 0.00 C ATOM 0 H LEU A 68 -17.186 13.612 5.972 1.00 0.00 H new ATOM 0 HA LEU A 68 -16.909 10.890 6.685 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -16.066 13.561 7.758 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -15.964 12.188 8.842 1.00 0.00 H new ATOM 0 HG LEU A 68 -14.734 12.043 6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.615 12.846 7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.876 14.101 7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.451 13.216 8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.222 10.461 7.224 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.083 10.740 8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -14.927 9.976 7.388 1.00 0.00 H new ATOM 1144 N LYS A 69 -19.023 12.670 8.481 1.00 0.00 N ATOM 1145 CA LYS A 69 -20.099 12.568 9.462 1.00 0.00 C ATOM 1146 C LYS A 69 -21.269 11.755 8.916 1.00 0.00 C ATOM 1147 O LYS A 69 -21.774 10.853 9.585 1.00 0.00 O ATOM 1148 CB LYS A 69 -20.575 13.965 9.872 1.00 0.00 C ATOM 1149 CG LYS A 69 -20.581 14.186 11.376 1.00 0.00 C ATOM 1150 CD LYS A 69 -21.741 15.068 11.805 1.00 0.00 C ATOM 1151 CE LYS A 69 -21.307 16.514 11.980 1.00 0.00 C ATOM 1152 NZ LYS A 69 -22.320 17.314 12.722 1.00 0.00 N ATOM 0 H LYS A 69 -18.894 13.603 8.090 1.00 0.00 H new ATOM 0 HA LYS A 69 -19.708 12.052 10.339 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -19.931 14.711 9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -21.581 14.125 9.485 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -20.646 13.225 11.886 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -19.641 14.646 11.681 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -22.536 15.013 11.061 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -22.155 14.696 12.742 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -20.358 16.545 12.515 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -21.137 16.963 11.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -21.985 18.294 12.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -23.219 17.306 12.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -22.464 16.902 13.666 1.00 0.00 H new ATOM 1166 N VAL A 70 -21.698 12.077 7.699 1.00 0.00 N ATOM 1167 CA VAL A 70 -22.811 11.372 7.073 1.00 0.00 C ATOM 1168 C VAL A 70 -22.430 9.936 6.731 1.00 0.00 C ATOM 1169 O VAL A 70 -23.204 9.009 6.965 1.00 0.00 O ATOM 1170 CB VAL A 70 -23.289 12.092 5.794 1.00 0.00 C ATOM 1171 CG1 VAL A 70 -22.189 12.112 4.743 1.00 0.00 C ATOM 1172 CG2 VAL A 70 -24.546 11.434 5.248 1.00 0.00 C ATOM 0 H VAL A 70 -21.293 12.819 7.129 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.626 11.363 7.796 1.00 0.00 H new ATOM 0 HB VAL A 70 -23.529 13.124 6.052 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -22.548 12.624 3.850 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -21.319 12.637 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -21.911 11.089 4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -24.868 11.956 4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -24.336 10.391 5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -25.337 11.483 5.997 1.00 0.00 H new ATOM 1182 N ALA A 71 -21.233 9.755 6.182 1.00 0.00 N ATOM 1183 CA ALA A 71 -20.756 8.425 5.820 1.00 0.00 C ATOM 1184 C ALA A 71 -20.808 7.499 7.027 1.00 0.00 C ATOM 1185 O ALA A 71 -21.252 6.355 6.930 1.00 0.00 O ATOM 1186 CB ALA A 71 -19.341 8.500 5.267 1.00 0.00 C ATOM 0 H ALA A 71 -20.578 10.510 5.979 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.407 8.021 5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.000 7.499 5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.330 9.134 4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.677 8.921 6.022 1.00 0.00 H new ATOM 1192 N GLU A 72 -20.363 8.013 8.166 1.00 0.00 N ATOM 1193 CA GLU A 72 -20.368 7.250 9.404 1.00 0.00 C ATOM 1194 C GLU A 72 -21.796 7.041 9.894 1.00 0.00 C ATOM 1195 O GLU A 72 -22.131 5.987 10.429 1.00 0.00 O ATOM 1196 CB GLU A 72 -19.548 7.974 10.476 1.00 0.00 C ATOM 1197 CG GLU A 72 -19.515 7.249 11.813 1.00 0.00 C ATOM 1198 CD GLU A 72 -19.348 8.198 12.984 1.00 0.00 C ATOM 1199 OE1 GLU A 72 -18.191 8.537 13.313 1.00 0.00 O ATOM 1200 OE2 GLU A 72 -20.372 8.600 13.573 1.00 0.00 O ATOM 0 H GLU A 72 -19.993 8.959 8.257 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.917 6.276 9.211 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.527 8.101 10.116 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -19.960 8.972 10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.437 6.682 11.938 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -18.696 6.530 11.813 1.00 0.00 H new ATOM 1207 N ASN A 73 -22.631 8.057 9.712 1.00 0.00 N ATOM 1208 CA ASN A 73 -24.023 7.986 10.143 1.00 0.00 C ATOM 1209 C ASN A 73 -24.830 7.030 9.270 1.00 0.00 C ATOM 1210 O ASN A 73 -25.662 6.271 9.770 1.00 0.00 O ATOM 1211 CB ASN A 73 -24.655 9.379 10.108 1.00 0.00 C ATOM 1212 CG ASN A 73 -24.451 10.139 11.404 1.00 0.00 C ATOM 1213 OD1 ASN A 73 -23.427 9.988 12.072 1.00 0.00 O ATOM 1214 ND2 ASN A 73 -25.428 10.961 11.768 1.00 0.00 N ATOM 0 H ASN A 73 -22.370 8.938 9.270 1.00 0.00 H new ATOM 0 HA ASN A 73 -24.037 7.605 11.164 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.226 9.949 9.284 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -25.723 9.286 9.909 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -25.347 11.498 12.631 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -26.259 11.055 11.184 1.00 0.00 H new ATOM 1221 N GLU A 74 -24.592 7.081 7.964 1.00 0.00 N ATOM 1222 CA GLU A 74 -25.308 6.229 7.019 1.00 0.00 C ATOM 1223 C GLU A 74 -24.721 4.819 6.954 1.00 0.00 C ATOM 1224 O GLU A 74 -25.458 3.835 6.893 1.00 0.00 O ATOM 1225 CB GLU A 74 -25.291 6.863 5.627 1.00 0.00 C ATOM 1226 CG GLU A 74 -26.667 6.983 4.995 1.00 0.00 C ATOM 1227 CD GLU A 74 -27.657 7.709 5.886 1.00 0.00 C ATOM 1228 OE1 GLU A 74 -27.341 8.833 6.330 1.00 0.00 O ATOM 1229 OE2 GLU A 74 -28.747 7.154 6.138 1.00 0.00 O ATOM 0 H GLU A 74 -23.908 7.704 7.534 1.00 0.00 H new ATOM 0 HA GLU A 74 -26.335 6.141 7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.844 7.855 5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.651 6.269 4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -26.582 7.512 4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -27.048 5.987 4.771 1.00 0.00 H new ATOM 1236 N LEU A 75 -23.393 4.726 6.942 1.00 0.00 N ATOM 1237 CA LEU A 75 -22.722 3.431 6.854 1.00 0.00 C ATOM 1238 C LEU A 75 -22.346 2.884 8.230 1.00 0.00 C ATOM 1239 O LEU A 75 -22.481 1.688 8.486 1.00 0.00 O ATOM 1240 CB LEU A 75 -21.472 3.546 5.977 1.00 0.00 C ATOM 1241 CG LEU A 75 -21.433 2.596 4.780 1.00 0.00 C ATOM 1242 CD1 LEU A 75 -21.462 1.148 5.245 1.00 0.00 C ATOM 1243 CD2 LEU A 75 -22.596 2.879 3.839 1.00 0.00 C ATOM 0 H LEU A 75 -22.763 5.527 6.992 1.00 0.00 H new ATOM 0 HA LEU A 75 -23.423 2.729 6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -21.396 4.570 5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -20.594 3.362 6.596 1.00 0.00 H new ATOM 0 HG LEU A 75 -20.502 2.763 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -21.434 0.487 4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -20.598 0.952 5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.376 0.966 5.811 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -22.554 2.194 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -23.537 2.740 4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -22.531 3.906 3.479 1.00 0.00 H new ATOM 1255 N GLY A 76 -21.868 3.756 9.110 1.00 0.00 N ATOM 1256 CA GLY A 76 -21.476 3.322 10.440 1.00 0.00 C ATOM 1257 C GLY A 76 -19.970 3.224 10.602 1.00 0.00 C ATOM 1258 O GLY A 76 -19.481 2.587 11.535 1.00 0.00 O ATOM 0 H GLY A 76 -21.745 4.752 8.929 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -21.872 4.020 11.177 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -21.924 2.350 10.648 1.00 0.00 H new ATOM 1262 N ILE A 77 -19.231 3.856 9.693 1.00 0.00 N ATOM 1263 CA ILE A 77 -17.773 3.834 9.742 1.00 0.00 C ATOM 1264 C ILE A 77 -17.232 5.065 10.463 1.00 0.00 C ATOM 1265 O ILE A 77 -17.348 6.187 9.969 1.00 0.00 O ATOM 1266 CB ILE A 77 -17.162 3.772 8.327 1.00 0.00 C ATOM 1267 CG1 ILE A 77 -17.800 2.641 7.519 1.00 0.00 C ATOM 1268 CG2 ILE A 77 -15.654 3.587 8.407 1.00 0.00 C ATOM 1269 CD1 ILE A 77 -17.974 2.970 6.052 1.00 0.00 C ATOM 0 H ILE A 77 -19.619 4.389 8.914 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.488 2.937 10.291 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.366 4.715 7.820 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.184 1.747 7.612 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.774 2.403 7.948 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -15.239 3.545 7.400 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.213 4.425 8.947 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.429 2.658 8.931 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -18.432 2.123 5.541 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -18.615 3.846 5.949 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -17.001 3.179 5.608 1.00 0.00 H new ATOM 1281 N THR A 78 -16.641 4.849 11.634 1.00 0.00 N ATOM 1282 CA THR A 78 -16.084 5.942 12.422 1.00 0.00 C ATOM 1283 C THR A 78 -14.779 6.451 11.809 1.00 0.00 C ATOM 1284 O THR A 78 -13.914 5.658 11.437 1.00 0.00 O ATOM 1285 CB THR A 78 -15.838 5.486 13.862 1.00 0.00 C ATOM 1286 OG1 THR A 78 -15.187 6.501 14.605 1.00 0.00 O ATOM 1287 CG2 THR A 78 -14.993 4.234 13.957 1.00 0.00 C ATOM 0 H THR A 78 -16.536 3.927 12.058 1.00 0.00 H new ATOM 0 HA THR A 78 -16.806 6.758 12.422 1.00 0.00 H new ATOM 0 HB THR A 78 -16.826 5.270 14.269 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.040 6.191 15.523 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.857 3.966 15.005 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.492 3.418 13.435 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.020 4.416 13.500 1.00 0.00 H new ATOM 1295 N PRO A 79 -14.618 7.783 11.695 1.00 0.00 N ATOM 1296 CA PRO A 79 -13.408 8.382 11.122 1.00 0.00 C ATOM 1297 C PRO A 79 -12.140 7.913 11.827 1.00 0.00 C ATOM 1298 O PRO A 79 -12.147 7.645 13.028 1.00 0.00 O ATOM 1299 CB PRO A 79 -13.610 9.885 11.342 1.00 0.00 C ATOM 1300 CG PRO A 79 -15.085 10.058 11.459 1.00 0.00 C ATOM 1301 CD PRO A 79 -15.596 8.804 12.112 1.00 0.00 C ATOM 0 HA PRO A 79 -13.277 8.104 10.076 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.099 10.225 12.243 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.209 10.464 10.510 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.329 10.937 12.056 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.540 10.202 10.479 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.637 8.903 13.197 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.603 8.557 11.776 1.00 0.00 H new ATOM 1309 N VAL A 80 -11.052 7.814 11.069 1.00 0.00 N ATOM 1310 CA VAL A 80 -9.774 7.376 11.620 1.00 0.00 C ATOM 1311 C VAL A 80 -8.705 8.462 11.492 1.00 0.00 C ATOM 1312 O VAL A 80 -7.661 8.391 12.140 1.00 0.00 O ATOM 1313 CB VAL A 80 -9.274 6.096 10.925 1.00 0.00 C ATOM 1314 CG1 VAL A 80 -8.052 5.542 11.641 1.00 0.00 C ATOM 1315 CG2 VAL A 80 -10.380 5.057 10.860 1.00 0.00 C ATOM 0 H VAL A 80 -11.030 8.031 10.073 1.00 0.00 H new ATOM 0 HA VAL A 80 -9.945 7.169 12.676 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.985 6.348 9.905 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.713 4.638 11.136 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.255 6.285 11.628 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.311 5.305 12.673 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.008 4.160 10.366 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.704 4.807 11.870 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.223 5.458 10.297 1.00 0.00 H new ATOM 1325 N VAL A 81 -8.967 9.463 10.655 1.00 0.00 N ATOM 1326 CA VAL A 81 -8.023 10.555 10.451 1.00 0.00 C ATOM 1327 C VAL A 81 -8.745 11.895 10.356 1.00 0.00 C ATOM 1328 O VAL A 81 -9.939 11.947 10.058 1.00 0.00 O ATOM 1329 CB VAL A 81 -7.183 10.339 9.176 1.00 0.00 C ATOM 1330 CG1 VAL A 81 -8.077 10.296 7.945 1.00 0.00 C ATOM 1331 CG2 VAL A 81 -6.127 11.426 9.039 1.00 0.00 C ATOM 0 H VAL A 81 -9.825 9.539 10.108 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.359 10.567 11.315 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.674 9.379 9.260 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.465 10.143 7.056 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.789 9.476 8.041 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.618 11.238 7.855 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.545 11.256 8.133 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.613 12.400 8.980 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.466 11.402 9.905 1.00 0.00 H new ATOM 1341 N SER A 82 -8.015 12.976 10.612 1.00 0.00 N ATOM 1342 CA SER A 82 -8.588 14.316 10.555 1.00 0.00 C ATOM 1343 C SER A 82 -8.739 14.785 9.111 1.00 0.00 C ATOM 1344 O SER A 82 -7.966 14.393 8.235 1.00 0.00 O ATOM 1345 CB SER A 82 -7.713 15.300 11.333 1.00 0.00 C ATOM 1346 OG SER A 82 -8.395 16.520 11.561 1.00 0.00 O ATOM 0 H SER A 82 -7.026 12.950 10.861 1.00 0.00 H new ATOM 0 HA SER A 82 -9.578 14.279 11.011 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.423 14.858 12.286 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.794 15.492 10.778 1.00 0.00 H new ATOM 0 HG SER A 82 -7.815 17.131 12.061 1.00 0.00 H new ATOM 1352 N ALA A 83 -9.740 15.625 8.869 1.00 0.00 N ATOM 1353 CA ALA A 83 -9.993 16.146 7.532 1.00 0.00 C ATOM 1354 C ALA A 83 -8.824 16.993 7.042 1.00 0.00 C ATOM 1355 O ALA A 83 -8.402 16.880 5.891 1.00 0.00 O ATOM 1356 CB ALA A 83 -11.278 16.961 7.517 1.00 0.00 C ATOM 0 H ALA A 83 -10.389 15.959 9.582 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.104 15.299 6.855 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.454 17.344 6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.114 16.328 7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.188 17.795 8.212 1.00 0.00 H new ATOM 1362 N GLN A 84 -8.305 17.843 7.922 1.00 0.00 N ATOM 1363 CA GLN A 84 -7.183 18.710 7.579 1.00 0.00 C ATOM 1364 C GLN A 84 -5.975 17.892 7.136 1.00 0.00 C ATOM 1365 O GLN A 84 -5.235 18.294 6.239 1.00 0.00 O ATOM 1366 CB GLN A 84 -6.808 19.589 8.773 1.00 0.00 C ATOM 1367 CG GLN A 84 -6.311 20.972 8.378 1.00 0.00 C ATOM 1368 CD GLN A 84 -4.860 21.201 8.754 1.00 0.00 C ATOM 1369 OE1 GLN A 84 -3.955 20.960 7.956 1.00 0.00 O ATOM 1370 NE2 GLN A 84 -4.632 21.670 9.975 1.00 0.00 N ATOM 0 H GLN A 84 -8.643 17.950 8.878 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.490 19.346 6.749 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.677 19.696 9.422 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.035 19.087 9.355 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.428 21.102 7.302 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.931 21.728 8.860 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.413 21.856 10.604 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -3.676 21.845 10.284 1.00 0.00 H new ATOM 1379 N ALA A 85 -5.781 16.741 7.772 1.00 0.00 N ATOM 1380 CA ALA A 85 -4.663 15.866 7.443 1.00 0.00 C ATOM 1381 C ALA A 85 -4.815 15.285 6.041 1.00 0.00 C ATOM 1382 O ALA A 85 -3.862 15.260 5.262 1.00 0.00 O ATOM 1383 CB ALA A 85 -4.547 14.749 8.469 1.00 0.00 C ATOM 0 H ALA A 85 -6.384 16.393 8.518 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.750 16.461 7.465 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.708 14.103 8.211 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.383 15.178 9.457 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.467 14.164 8.475 1.00 0.00 H new ATOM 1389 N VAL A 86 -6.019 14.819 5.727 1.00 0.00 N ATOM 1390 CA VAL A 86 -6.297 14.237 4.419 1.00 0.00 C ATOM 1391 C VAL A 86 -6.101 15.262 3.307 1.00 0.00 C ATOM 1392 O VAL A 86 -5.403 15.004 2.326 1.00 0.00 O ATOM 1393 CB VAL A 86 -7.731 13.682 4.345 1.00 0.00 C ATOM 1394 CG1 VAL A 86 -7.940 12.911 3.051 1.00 0.00 C ATOM 1395 CG2 VAL A 86 -8.029 12.806 5.551 1.00 0.00 C ATOM 0 H VAL A 86 -6.818 14.833 6.361 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.591 13.418 4.281 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.426 14.522 4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.959 12.527 3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.774 13.574 2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.237 12.079 3.005 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.047 12.423 5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.329 11.971 5.576 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.925 13.394 6.463 1.00 0.00 H new ATOM 1405 N VAL A 87 -6.725 16.425 3.466 1.00 0.00 N ATOM 1406 CA VAL A 87 -6.623 17.490 2.476 1.00 0.00 C ATOM 1407 C VAL A 87 -5.184 17.977 2.339 1.00 0.00 C ATOM 1408 O VAL A 87 -4.742 18.340 1.248 1.00 0.00 O ATOM 1409 CB VAL A 87 -7.524 18.685 2.840 1.00 0.00 C ATOM 1410 CG1 VAL A 87 -7.530 19.715 1.720 1.00 0.00 C ATOM 1411 CG2 VAL A 87 -8.939 18.215 3.149 1.00 0.00 C ATOM 0 H VAL A 87 -7.307 16.653 4.272 1.00 0.00 H new ATOM 0 HA VAL A 87 -6.955 17.071 1.526 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.119 19.159 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.172 20.551 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.516 20.077 1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -7.906 19.256 0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.560 19.074 3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.355 17.713 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.917 17.521 3.989 1.00 0.00 H new ATOM 1421 N ALA A 88 -4.459 17.985 3.452 1.00 0.00 N ATOM 1422 CA ALA A 88 -3.071 18.430 3.456 1.00 0.00 C ATOM 1423 C ALA A 88 -2.120 17.307 3.046 1.00 0.00 C ATOM 1424 O ALA A 88 -0.950 17.552 2.755 1.00 0.00 O ATOM 1425 CB ALA A 88 -2.695 18.962 4.831 1.00 0.00 C ATOM 0 H ALA A 88 -4.810 17.688 4.363 1.00 0.00 H new ATOM 0 HA ALA A 88 -2.975 19.231 2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.656 19.291 4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.340 19.803 5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.819 18.173 5.573 1.00 0.00 H new ATOM 1431 N GLY A 89 -2.627 16.075 3.022 1.00 0.00 N ATOM 1432 CA GLY A 89 -1.801 14.944 2.644 1.00 0.00 C ATOM 1433 C GLY A 89 -0.582 14.791 3.534 1.00 0.00 C ATOM 1434 O GLY A 89 0.446 14.270 3.104 1.00 0.00 O ATOM 0 H GLY A 89 -3.592 15.843 3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.397 14.032 2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.479 15.063 1.610 1.00 0.00 H new ATOM 1438 N SER A 90 -0.698 15.246 4.776 1.00 0.00 N ATOM 1439 CA SER A 90 0.403 15.158 5.729 1.00 0.00 C ATOM 1440 C SER A 90 0.185 14.011 6.710 1.00 0.00 C ATOM 1441 O SER A 90 0.610 14.077 7.863 1.00 0.00 O ATOM 1442 CB SER A 90 0.550 16.476 6.494 1.00 0.00 C ATOM 1443 OG SER A 90 0.502 17.585 5.612 1.00 0.00 O ATOM 0 H SER A 90 -1.543 15.680 5.147 1.00 0.00 H new ATOM 0 HA SER A 90 1.318 14.965 5.170 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.245 16.561 7.234 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.494 16.481 7.039 1.00 0.00 H new ATOM 0 HG SER A 90 0.596 18.415 6.125 1.00 0.00 H new ATOM 1449 N ASP A 91 -0.481 12.958 6.243 1.00 0.00 N ATOM 1450 CA ASP A 91 -0.755 11.795 7.080 1.00 0.00 C ATOM 1451 C ASP A 91 -1.055 10.567 6.222 1.00 0.00 C ATOM 1452 O ASP A 91 -2.159 10.024 6.265 1.00 0.00 O ATOM 1453 CB ASP A 91 -1.929 12.082 8.017 1.00 0.00 C ATOM 1454 CG ASP A 91 -1.480 12.639 9.353 1.00 0.00 C ATOM 1455 OD1 ASP A 91 -0.292 12.470 9.700 1.00 0.00 O ATOM 1456 OD2 ASP A 91 -2.317 13.246 10.056 1.00 0.00 O ATOM 0 H ASP A 91 -0.840 12.887 5.291 1.00 0.00 H new ATOM 0 HA ASP A 91 0.133 11.588 7.678 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.606 12.791 7.540 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.493 11.163 8.180 1.00 0.00 H new ATOM 1461 N PRO A 92 -0.069 10.112 5.428 1.00 0.00 N ATOM 1462 CA PRO A 92 -0.233 8.943 4.558 1.00 0.00 C ATOM 1463 C PRO A 92 -0.733 7.720 5.317 1.00 0.00 C ATOM 1464 O PRO A 92 -1.600 6.989 4.836 1.00 0.00 O ATOM 1465 CB PRO A 92 1.180 8.697 4.019 1.00 0.00 C ATOM 1466 CG PRO A 92 1.855 10.023 4.105 1.00 0.00 C ATOM 1467 CD PRO A 92 1.278 10.702 5.316 1.00 0.00 C ATOM 0 HA PRO A 92 -0.976 9.118 3.780 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.704 7.947 4.611 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.154 8.332 2.992 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.935 9.906 4.200 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.676 10.611 3.205 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.876 10.511 6.207 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.234 11.784 5.188 1.00 0.00 H new ATOM 1475 N LEU A 93 -0.180 7.500 6.505 1.00 0.00 N ATOM 1476 CA LEU A 93 -0.569 6.363 7.333 1.00 0.00 C ATOM 1477 C LEU A 93 -2.062 6.398 7.642 1.00 0.00 C ATOM 1478 O LEU A 93 -2.717 5.357 7.707 1.00 0.00 O ATOM 1479 CB LEU A 93 0.234 6.358 8.636 1.00 0.00 C ATOM 1480 CG LEU A 93 0.611 4.968 9.158 1.00 0.00 C ATOM 1481 CD1 LEU A 93 2.067 4.938 9.596 1.00 0.00 C ATOM 1482 CD2 LEU A 93 -0.302 4.565 10.306 1.00 0.00 C ATOM 0 H LEU A 93 0.540 8.094 6.917 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.354 5.450 6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.148 6.933 8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.344 6.874 9.403 1.00 0.00 H new ATOM 0 HG LEU A 93 0.483 4.250 8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.316 3.943 9.964 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.707 5.182 8.748 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.223 5.668 10.391 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.020 3.575 10.665 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.206 5.286 11.118 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.335 4.545 9.959 1.00 0.00 H new ATOM 1494 N GLY A 94 -2.595 7.600 7.832 1.00 0.00 N ATOM 1495 CA GLY A 94 -4.007 7.747 8.131 1.00 0.00 C ATOM 1496 C GLY A 94 -4.889 7.430 6.941 1.00 0.00 C ATOM 1497 O GLY A 94 -5.943 6.810 7.088 1.00 0.00 O ATOM 0 H GLY A 94 -2.074 8.476 7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.270 7.089 8.959 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.201 8.768 8.461 1.00 0.00 H new ATOM 1501 N LEU A 95 -4.459 7.855 5.758 1.00 0.00 N ATOM 1502 CA LEU A 95 -5.219 7.614 4.535 1.00 0.00 C ATOM 1503 C LEU A 95 -5.399 6.118 4.293 1.00 0.00 C ATOM 1504 O LEU A 95 -6.476 5.668 3.903 1.00 0.00 O ATOM 1505 CB LEU A 95 -4.516 8.254 3.337 1.00 0.00 C ATOM 1506 CG LEU A 95 -5.284 8.171 2.016 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -6.242 9.343 1.882 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -4.318 8.132 0.842 1.00 0.00 C ATOM 0 H LEU A 95 -3.588 8.368 5.619 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.203 8.067 4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.326 9.303 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.545 7.775 3.206 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.867 7.250 2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.779 9.267 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.954 9.327 2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.680 10.277 1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.880 8.073 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.709 9.036 0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.672 7.259 0.932 1.00 0.00 H new ATOM 1520 N ILE A 96 -4.339 5.353 4.529 1.00 0.00 N ATOM 1521 CA ILE A 96 -4.382 3.908 4.337 1.00 0.00 C ATOM 1522 C ILE A 96 -5.302 3.247 5.357 1.00 0.00 C ATOM 1523 O ILE A 96 -6.061 2.336 5.024 1.00 0.00 O ATOM 1524 CB ILE A 96 -2.977 3.282 4.445 1.00 0.00 C ATOM 1525 CG1 ILE A 96 -1.997 4.011 3.523 1.00 0.00 C ATOM 1526 CG2 ILE A 96 -3.026 1.800 4.106 1.00 0.00 C ATOM 1527 CD1 ILE A 96 -2.333 3.873 2.054 1.00 0.00 C ATOM 0 H ILE A 96 -3.440 5.709 4.853 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.770 3.734 3.334 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.629 3.388 5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.981 5.069 3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.992 3.625 3.696 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.026 1.375 4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.695 1.290 4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.393 1.672 3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.597 4.414 1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.320 2.819 1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.324 4.286 1.867 1.00 0.00 H new ATOM 1539 N ALA A 97 -5.230 3.711 6.601 1.00 0.00 N ATOM 1540 CA ALA A 97 -6.059 3.164 7.668 1.00 0.00 C ATOM 1541 C ALA A 97 -7.542 3.341 7.359 1.00 0.00 C ATOM 1542 O ALA A 97 -8.336 2.417 7.536 1.00 0.00 O ATOM 1543 CB ALA A 97 -5.712 3.823 8.994 1.00 0.00 C ATOM 0 H ALA A 97 -4.607 4.463 6.894 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.856 2.095 7.740 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.338 3.406 9.783 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.663 3.640 9.228 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.885 4.897 8.923 1.00 0.00 H new ATOM 1549 N TYR A 98 -7.907 4.531 6.896 1.00 0.00 N ATOM 1550 CA TYR A 98 -9.295 4.830 6.562 1.00 0.00 C ATOM 1551 C TYR A 98 -9.736 4.052 5.326 1.00 0.00 C ATOM 1552 O TYR A 98 -10.825 3.478 5.299 1.00 0.00 O ATOM 1553 CB TYR A 98 -9.473 6.330 6.325 1.00 0.00 C ATOM 1554 CG TYR A 98 -10.919 6.756 6.202 1.00 0.00 C ATOM 1555 CD1 TYR A 98 -11.610 6.600 5.007 1.00 0.00 C ATOM 1556 CD2 TYR A 98 -11.591 7.317 7.280 1.00 0.00 C ATOM 1557 CE1 TYR A 98 -12.932 6.991 4.891 1.00 0.00 C ATOM 1558 CE2 TYR A 98 -12.912 7.709 7.172 1.00 0.00 C ATOM 1559 CZ TYR A 98 -13.577 7.544 5.976 1.00 0.00 C ATOM 1560 OH TYR A 98 -14.892 7.933 5.864 1.00 0.00 O ATOM 0 H TYR A 98 -7.261 5.305 6.743 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.919 4.526 7.403 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.011 6.877 7.147 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -8.941 6.611 5.416 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.107 6.167 4.155 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -11.073 7.449 8.218 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -13.456 6.864 3.955 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -13.421 8.142 8.020 1.00 0.00 H new ATOM 0 HH TYR A 98 -15.390 7.261 5.353 1.00 0.00 H new ATOM 1570 N LEU A 99 -8.886 4.041 4.305 1.00 0.00 N ATOM 1571 CA LEU A 99 -9.189 3.335 3.066 1.00 0.00 C ATOM 1572 C LEU A 99 -9.414 1.848 3.327 1.00 0.00 C ATOM 1573 O LEU A 99 -10.285 1.226 2.718 1.00 0.00 O ATOM 1574 CB LEU A 99 -8.053 3.526 2.057 1.00 0.00 C ATOM 1575 CG LEU A 99 -8.426 4.322 0.806 1.00 0.00 C ATOM 1576 CD1 LEU A 99 -7.189 4.614 -0.030 1.00 0.00 C ATOM 1577 CD2 LEU A 99 -9.461 3.567 -0.016 1.00 0.00 C ATOM 0 H LEU A 99 -7.982 4.513 4.311 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.107 3.753 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.225 4.029 2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.691 2.545 1.750 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.860 5.272 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.474 5.181 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.480 5.195 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.725 3.675 -0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.715 4.148 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.053 2.603 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -10.357 3.409 0.584 1.00 0.00 H new ATOM 1589 N SER A 100 -8.623 1.285 4.234 1.00 0.00 N ATOM 1590 CA SER A 100 -8.735 -0.128 4.575 1.00 0.00 C ATOM 1591 C SER A 100 -10.120 -0.447 5.130 1.00 0.00 C ATOM 1592 O SER A 100 -10.674 -1.514 4.869 1.00 0.00 O ATOM 1593 CB SER A 100 -7.663 -0.514 5.594 1.00 0.00 C ATOM 1594 OG SER A 100 -6.504 -1.015 4.952 1.00 0.00 O ATOM 0 H SER A 100 -7.897 1.786 4.746 1.00 0.00 H new ATOM 0 HA SER A 100 -8.587 -0.708 3.664 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.401 0.355 6.197 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.059 -1.267 6.275 1.00 0.00 H new ATOM 0 HG SER A 100 -5.834 -1.253 5.626 1.00 0.00 H new ATOM 1600 N HIS A 101 -10.673 0.487 5.899 1.00 0.00 N ATOM 1601 CA HIS A 101 -11.992 0.304 6.492 1.00 0.00 C ATOM 1602 C HIS A 101 -13.088 0.440 5.440 1.00 0.00 C ATOM 1603 O HIS A 101 -14.067 -0.306 5.448 1.00 0.00 O ATOM 1604 CB HIS A 101 -12.216 1.324 7.610 1.00 0.00 C ATOM 1605 CG HIS A 101 -13.247 0.900 8.609 1.00 0.00 C ATOM 1606 ND1 HIS A 101 -14.458 0.344 8.252 1.00 0.00 N ATOM 1607 CD2 HIS A 101 -13.245 0.953 9.963 1.00 0.00 C ATOM 1608 CE1 HIS A 101 -15.155 0.075 9.342 1.00 0.00 C ATOM 1609 NE2 HIS A 101 -14.440 0.434 10.393 1.00 0.00 N ATOM 0 H HIS A 101 -10.228 1.377 6.125 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.037 -0.702 6.909 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.272 1.498 8.126 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -12.518 2.274 7.169 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -14.767 0.168 7.296 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -12.450 1.333 10.588 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -16.141 -0.364 9.369 1.00 0.00 H new ATOM 1618 N PHE A 102 -12.914 1.396 4.532 1.00 0.00 N ATOM 1619 CA PHE A 102 -13.890 1.628 3.473 1.00 0.00 C ATOM 1620 C PHE A 102 -13.927 0.451 2.502 1.00 0.00 C ATOM 1621 O PHE A 102 -14.999 0.027 2.066 1.00 0.00 O ATOM 1622 CB PHE A 102 -13.558 2.920 2.721 1.00 0.00 C ATOM 1623 CG PHE A 102 -14.646 3.951 2.792 1.00 0.00 C ATOM 1624 CD1 PHE A 102 -15.109 4.408 4.016 1.00 0.00 C ATOM 1625 CD2 PHE A 102 -15.209 4.465 1.635 1.00 0.00 C ATOM 1626 CE1 PHE A 102 -16.110 5.356 4.086 1.00 0.00 C ATOM 1627 CE2 PHE A 102 -16.211 5.416 1.697 1.00 0.00 C ATOM 1628 CZ PHE A 102 -16.662 5.862 2.925 1.00 0.00 C ATOM 0 H PHE A 102 -12.108 2.021 4.508 1.00 0.00 H new ATOM 0 HA PHE A 102 -14.874 1.727 3.931 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.640 3.343 3.130 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -13.362 2.682 1.676 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -14.681 4.017 4.927 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -14.861 4.119 0.673 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -16.461 5.702 5.047 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -16.640 5.810 0.788 1.00 0.00 H new ATOM 0 HZ PHE A 102 -17.444 6.605 2.977 1.00 0.00 H new ATOM 1638 N HIS A 103 -12.753 -0.071 2.168 1.00 0.00 N ATOM 1639 CA HIS A 103 -12.651 -1.198 1.249 1.00 0.00 C ATOM 1640 C HIS A 103 -13.271 -2.454 1.854 1.00 0.00 C ATOM 1641 O HIS A 103 -13.966 -3.206 1.171 1.00 0.00 O ATOM 1642 CB HIS A 103 -11.187 -1.461 0.891 1.00 0.00 C ATOM 1643 CG HIS A 103 -11.007 -2.509 -0.163 1.00 0.00 C ATOM 1644 ND1 HIS A 103 -11.631 -2.686 -1.352 1.00 0.00 N flip ATOM 1645 CD2 HIS A 103 -10.093 -3.535 -0.055 1.00 0.00 C flip ATOM 1646 CE1 HIS A 103 -11.088 -3.805 -1.933 1.00 0.00 C flip ATOM 1647 NE2 HIS A 103 -10.163 -4.299 -1.132 1.00 0.00 N flip ATOM 0 H HIS A 103 -11.858 0.268 2.520 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.200 -0.944 0.342 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -10.733 -0.531 0.549 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.651 -1.766 1.790 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -12.367 -2.098 -1.743 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.424 -3.691 0.779 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.372 -4.215 -2.891 1.00 0.00 H new ATOM 1656 N SER A 104 -13.014 -2.674 3.139 1.00 0.00 N ATOM 1657 CA SER A 104 -13.546 -3.839 3.836 1.00 0.00 C ATOM 1658 C SER A 104 -15.072 -3.837 3.821 1.00 0.00 C ATOM 1659 O SER A 104 -15.701 -4.867 3.581 1.00 0.00 O ATOM 1660 CB SER A 104 -13.040 -3.872 5.279 1.00 0.00 C ATOM 1661 OG SER A 104 -12.805 -5.202 5.708 1.00 0.00 O ATOM 0 H SER A 104 -12.441 -2.061 3.719 1.00 0.00 H new ATOM 0 HA SER A 104 -13.198 -4.730 3.314 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.120 -3.293 5.358 1.00 0.00 H new ATOM 0 HB3 SER A 104 -13.771 -3.399 5.935 1.00 0.00 H new ATOM 0 HG SER A 104 -12.481 -5.195 6.633 1.00 0.00 H new ATOM 1667 N ALA A 105 -15.659 -2.672 4.080 1.00 0.00 N ATOM 1668 CA ALA A 105 -17.111 -2.537 4.097 1.00 0.00 C ATOM 1669 C ALA A 105 -17.683 -2.582 2.684 1.00 0.00 C ATOM 1670 O ALA A 105 -18.686 -3.250 2.431 1.00 0.00 O ATOM 1671 CB ALA A 105 -17.512 -1.245 4.790 1.00 0.00 C ATOM 0 H ALA A 105 -15.152 -1.810 4.281 1.00 0.00 H new ATOM 0 HA ALA A 105 -17.523 -3.378 4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -18.598 -1.157 4.795 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -17.143 -1.253 5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -17.082 -0.397 4.256 1.00 0.00 H new ATOM 1677 N PHE A 106 -17.041 -1.866 1.768 1.00 0.00 N ATOM 1678 CA PHE A 106 -17.484 -1.821 0.381 1.00 0.00 C ATOM 1679 C PHE A 106 -17.341 -3.186 -0.286 1.00 0.00 C ATOM 1680 O PHE A 106 -18.033 -3.488 -1.258 1.00 0.00 O ATOM 1681 CB PHE A 106 -16.682 -0.775 -0.394 1.00 0.00 C ATOM 1682 CG PHE A 106 -17.147 0.634 -0.160 1.00 0.00 C ATOM 1683 CD1 PHE A 106 -17.369 1.101 1.126 1.00 0.00 C ATOM 1684 CD2 PHE A 106 -17.360 1.490 -1.225 1.00 0.00 C ATOM 1685 CE1 PHE A 106 -17.797 2.397 1.342 1.00 0.00 C ATOM 1686 CE2 PHE A 106 -17.788 2.786 -1.016 1.00 0.00 C ATOM 1687 CZ PHE A 106 -18.007 3.242 0.269 1.00 0.00 C ATOM 0 H PHE A 106 -16.210 -1.308 1.962 1.00 0.00 H new ATOM 0 HA PHE A 106 -18.538 -1.545 0.372 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -15.632 -0.853 -0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -16.745 -0.997 -1.459 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -17.206 0.445 1.968 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -17.189 1.141 -2.233 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -17.967 2.749 2.349 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -17.951 3.443 -1.857 1.00 0.00 H new ATOM 0 HZ PHE A 106 -18.341 4.256 0.435 1.00 0.00 H new ATOM 1697 N LYS A 107 -16.438 -4.009 0.242 1.00 0.00 N ATOM 1698 CA LYS A 107 -16.206 -5.343 -0.306 1.00 0.00 C ATOM 1699 C LYS A 107 -17.502 -6.146 -0.361 1.00 0.00 C ATOM 1700 O LYS A 107 -17.745 -6.886 -1.314 1.00 0.00 O ATOM 1701 CB LYS A 107 -15.167 -6.086 0.536 1.00 0.00 C ATOM 1702 CG LYS A 107 -14.241 -6.971 -0.283 1.00 0.00 C ATOM 1703 CD LYS A 107 -13.918 -8.266 0.444 1.00 0.00 C ATOM 1704 CE LYS A 107 -12.439 -8.609 0.346 1.00 0.00 C ATOM 1705 NZ LYS A 107 -11.632 -7.885 1.366 1.00 0.00 N ATOM 0 H LYS A 107 -15.856 -3.776 1.047 1.00 0.00 H new ATOM 0 HA LYS A 107 -15.830 -5.230 -1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.569 -5.359 1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -15.682 -6.699 1.276 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -14.707 -7.198 -1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -13.318 -6.433 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -14.203 -8.176 1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -14.509 -9.078 0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -12.306 -9.683 0.474 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -12.074 -8.359 -0.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.630 -8.146 1.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.738 -6.860 1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.963 -8.143 2.318 1.00 0.00 H new