USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=20 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 X(o=0,f=0) USER MOD Single : A 13 CYS SG : rot 76:sc= 1.23 USER MOD Single : A 14 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.44) USER MOD Single : A 16 GLN : amide:sc=-0.00854 X(o=-0.0085,f=0) USER MOD Single : A 17 THR OG1 : rot -99:sc= -1.44! USER MOD Single : A 20 TYR OH : rot 30:sc= -0.547 USER MOD Single : A 24 HIS : no HD1:sc= -0.0989 X(o=-0.099,f=-0.25) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 39:sc= 0.58 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 90:sc= -0.803 USER MOD Single : A 39 CYS SG : rot 96:sc= -2.11 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -4.24 K(o=-4.2,f=-7.2!) 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 -80:sc= 0.321 USER MOD Single : A 69 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00361) USER MOD Single : A 73 ASN : amide:sc= -0.0633 X(o=-0.063,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc=-0.00465 USER MOD Single : A 84 GLN : amide:sc= -0.133 K(o=-0.13,f=-1.3) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 54:sc= -1.28 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.6) USER MOD Single : A 103 HIS :FLIP no HE2:sc= -0.31 F(o=-1.8,f=-0.31) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -120:sc= -0.246 (180deg=-1.19) USER MOD ----------------------------------------------------------------- ATOM 201 N GLN A 6 0.070 0.385 -2.630 1.00 0.00 N ATOM 202 CA GLN A 6 -0.434 1.744 -2.785 1.00 0.00 C ATOM 203 C GLN A 6 -1.008 1.954 -4.183 1.00 0.00 C ATOM 204 O GLN A 6 -2.070 2.555 -4.344 1.00 0.00 O ATOM 205 CB GLN A 6 0.681 2.758 -2.521 1.00 0.00 C ATOM 206 CG GLN A 6 0.750 3.221 -1.075 1.00 0.00 C ATOM 207 CD GLN A 6 2.088 3.841 -0.724 1.00 0.00 C ATOM 208 OE1 GLN A 6 2.871 3.267 0.033 1.00 0.00 O ATOM 209 NE2 GLN A 6 2.357 5.019 -1.274 1.00 0.00 N ATOM 0 HA GLN A 6 -1.231 1.895 -2.057 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.637 2.315 -2.798 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.533 3.625 -3.165 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.042 3.947 -0.892 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.563 2.373 -0.417 1.00 0.00 H new ATOM 0 HE21 GLN A 6 1.678 5.458 -1.896 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.242 5.485 -1.075 1.00 0.00 H new ATOM 218 N GLU A 7 -0.298 1.456 -5.191 1.00 0.00 N ATOM 219 CA GLU A 7 -0.739 1.589 -6.574 1.00 0.00 C ATOM 220 C GLU A 7 -2.065 0.870 -6.794 1.00 0.00 C ATOM 221 O GLU A 7 -2.975 1.403 -7.429 1.00 0.00 O ATOM 222 CB GLU A 7 0.320 1.030 -7.526 1.00 0.00 C ATOM 223 CG GLU A 7 1.466 1.995 -7.796 1.00 0.00 C ATOM 224 CD GLU A 7 1.753 2.161 -9.276 1.00 0.00 C ATOM 225 OE1 GLU A 7 0.960 2.842 -9.961 1.00 0.00 O ATOM 226 OE2 GLU A 7 2.769 1.611 -9.749 1.00 0.00 O ATOM 0 H GLU A 7 0.584 0.957 -5.075 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.882 2.649 -6.782 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.723 0.108 -7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.155 0.769 -8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.227 2.967 -7.365 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.364 1.636 -7.294 1.00 0.00 H new ATOM 233 N GLU A 8 -2.167 -0.344 -6.264 1.00 0.00 N ATOM 234 CA GLU A 8 -3.383 -1.139 -6.401 1.00 0.00 C ATOM 235 C GLU A 8 -4.561 -0.454 -5.714 1.00 0.00 C ATOM 236 O GLU A 8 -5.678 -0.455 -6.230 1.00 0.00 O ATOM 237 CB GLU A 8 -3.175 -2.534 -5.813 1.00 0.00 C ATOM 238 CG GLU A 8 -1.871 -3.186 -6.246 1.00 0.00 C ATOM 239 CD GLU A 8 -2.088 -4.380 -7.155 1.00 0.00 C ATOM 240 OE1 GLU A 8 -3.146 -4.439 -7.815 1.00 0.00 O ATOM 241 OE2 GLU A 8 -1.200 -5.257 -7.205 1.00 0.00 O ATOM 0 H GLU A 8 -1.423 -0.799 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.609 -1.231 -7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.195 -2.468 -4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.007 -3.172 -6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.255 -2.449 -6.761 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.317 -3.503 -5.362 1.00 0.00 H new ATOM 248 N LEU A 9 -4.300 0.132 -4.550 1.00 0.00 N ATOM 249 CA LEU A 9 -5.339 0.824 -3.796 1.00 0.00 C ATOM 250 C LEU A 9 -5.929 1.967 -4.614 1.00 0.00 C ATOM 251 O LEU A 9 -7.140 2.184 -4.613 1.00 0.00 O ATOM 252 CB LEU A 9 -4.772 1.360 -2.480 1.00 0.00 C ATOM 253 CG LEU A 9 -4.464 0.296 -1.425 1.00 0.00 C ATOM 254 CD1 LEU A 9 -3.635 0.888 -0.296 1.00 0.00 C ATOM 255 CD2 LEU A 9 -5.753 -0.303 -0.883 1.00 0.00 C ATOM 0 H LEU A 9 -3.380 0.142 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.133 0.110 -3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.857 1.912 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.482 2.072 -2.059 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.885 -0.499 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.426 0.116 0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.696 1.271 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.188 1.701 0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.516 -1.058 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.356 0.483 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.311 -0.763 -1.698 1.00 0.00 H new ATOM 267 N LEU A 10 -5.063 2.693 -5.315 1.00 0.00 N ATOM 268 CA LEU A 10 -5.497 3.812 -6.141 1.00 0.00 C ATOM 269 C LEU A 10 -6.404 3.331 -7.268 1.00 0.00 C ATOM 270 O LEU A 10 -7.407 3.969 -7.587 1.00 0.00 O ATOM 271 CB LEU A 10 -4.282 4.543 -6.719 1.00 0.00 C ATOM 272 CG LEU A 10 -3.872 5.811 -5.969 1.00 0.00 C ATOM 273 CD1 LEU A 10 -4.996 6.834 -5.994 1.00 0.00 C ATOM 274 CD2 LEU A 10 -3.479 5.481 -4.536 1.00 0.00 C ATOM 0 H LEU A 10 -4.057 2.525 -5.327 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.062 4.502 -5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.436 3.856 -6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.494 4.805 -7.756 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.006 6.242 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.685 7.729 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.228 7.094 -7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.882 6.413 -5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.190 6.396 -4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.325 5.025 -4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.639 4.786 -4.540 1.00 0.00 H new ATOM 286 N ARG A 11 -6.043 2.200 -7.867 1.00 0.00 N ATOM 287 CA ARG A 11 -6.824 1.630 -8.960 1.00 0.00 C ATOM 288 C ARG A 11 -8.246 1.321 -8.506 1.00 0.00 C ATOM 289 O ARG A 11 -9.208 1.558 -9.236 1.00 0.00 O ATOM 290 CB ARG A 11 -6.153 0.358 -9.482 1.00 0.00 C ATOM 291 CG ARG A 11 -4.732 0.577 -9.974 1.00 0.00 C ATOM 292 CD ARG A 11 -4.708 1.021 -11.428 1.00 0.00 C ATOM 293 NE ARG A 11 -3.346 1.216 -11.918 1.00 0.00 N ATOM 294 CZ ARG A 11 -3.021 1.256 -13.208 1.00 0.00 C ATOM 295 NH1 ARG A 11 -3.955 1.111 -14.140 1.00 0.00 N ATOM 296 NH2 ARG A 11 -1.757 1.437 -13.568 1.00 0.00 N ATOM 0 H ARG A 11 -5.215 1.660 -7.614 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.871 2.364 -9.765 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.143 -0.389 -8.688 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.752 -0.050 -10.296 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.243 1.329 -9.355 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.162 -0.345 -9.865 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.211 0.275 -12.043 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.267 1.951 -11.533 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.600 1.328 -11.231 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.928 0.968 -13.869 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.700 1.143 -15.127 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.035 1.545 -12.856 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.508 1.468 -14.557 1.00 0.00 H new ATOM 310 N TRP A 12 -8.371 0.788 -7.295 1.00 0.00 N ATOM 311 CA TRP A 12 -9.676 0.445 -6.741 1.00 0.00 C ATOM 312 C TRP A 12 -10.500 1.699 -6.462 1.00 0.00 C ATOM 313 O TRP A 12 -11.701 1.736 -6.728 1.00 0.00 O ATOM 314 CB TRP A 12 -9.507 -0.365 -5.452 1.00 0.00 C ATOM 315 CG TRP A 12 -10.808 -0.750 -4.812 1.00 0.00 C ATOM 316 CD1 TRP A 12 -11.605 -1.805 -5.148 1.00 0.00 C ATOM 317 CD2 TRP A 12 -11.460 -0.079 -3.729 1.00 0.00 C ATOM 318 NE1 TRP A 12 -12.714 -1.834 -4.338 1.00 0.00 N ATOM 319 CE2 TRP A 12 -12.648 -0.785 -3.459 1.00 0.00 C ATOM 320 CE3 TRP A 12 -11.156 1.047 -2.960 1.00 0.00 C ATOM 321 CZ2 TRP A 12 -13.530 -0.399 -2.452 1.00 0.00 C ATOM 322 CZ3 TRP A 12 -12.032 1.428 -1.961 1.00 0.00 C ATOM 323 CH2 TRP A 12 -13.207 0.707 -1.715 1.00 0.00 C ATOM 0 H TRP A 12 -7.584 0.584 -6.678 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.207 -0.158 -7.477 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -8.938 -1.268 -5.672 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -8.920 0.216 -4.741 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -11.395 -2.514 -5.935 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.464 -2.524 -4.383 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.253 1.610 -3.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.437 -0.953 -2.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -11.806 2.296 -1.360 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -13.871 1.031 -0.928 1.00 0.00 H new ATOM 334 N CYS A 13 -9.847 2.723 -5.921 1.00 0.00 N ATOM 335 CA CYS A 13 -10.524 3.975 -5.601 1.00 0.00 C ATOM 336 C CYS A 13 -11.047 4.659 -6.861 1.00 0.00 C ATOM 337 O CYS A 13 -12.185 5.122 -6.898 1.00 0.00 O ATOM 338 CB CYS A 13 -9.575 4.916 -4.857 1.00 0.00 C ATOM 339 SG CYS A 13 -8.849 4.201 -3.363 1.00 0.00 S ATOM 0 H CYS A 13 -8.852 2.711 -5.695 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.374 3.740 -4.961 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.772 5.213 -5.532 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -10.117 5.822 -4.587 1.00 0.00 H new ATOM 0 HG CYS A 13 -7.907 3.369 -3.694 1.00 0.00 H new ATOM 345 N GLN A 14 -10.208 4.721 -7.891 1.00 0.00 N ATOM 346 CA GLN A 14 -10.590 5.352 -9.150 1.00 0.00 C ATOM 347 C GLN A 14 -11.770 4.628 -9.790 1.00 0.00 C ATOM 348 O GLN A 14 -12.628 5.252 -10.414 1.00 0.00 O ATOM 349 CB GLN A 14 -9.405 5.374 -10.117 1.00 0.00 C ATOM 350 CG GLN A 14 -8.864 3.993 -10.448 1.00 0.00 C ATOM 351 CD GLN A 14 -7.868 4.014 -11.590 1.00 0.00 C ATOM 352 OE1 GLN A 14 -8.028 3.302 -12.582 1.00 0.00 O ATOM 353 NE2 GLN A 14 -6.833 4.835 -11.458 1.00 0.00 N ATOM 0 H GLN A 14 -9.261 4.343 -7.879 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.892 6.377 -8.933 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.709 5.867 -11.040 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.605 5.974 -9.684 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.387 3.572 -9.563 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.693 3.335 -10.707 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.740 5.407 -10.619 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.131 4.894 -12.196 1.00 0.00 H new ATOM 362 N GLU A 15 -11.809 3.310 -9.630 1.00 0.00 N ATOM 363 CA GLU A 15 -12.887 2.507 -10.193 1.00 0.00 C ATOM 364 C GLU A 15 -14.216 2.840 -9.520 1.00 0.00 C ATOM 365 O GLU A 15 -15.235 3.019 -10.187 1.00 0.00 O ATOM 366 CB GLU A 15 -12.580 1.016 -10.035 1.00 0.00 C ATOM 367 CG GLU A 15 -12.744 0.222 -11.322 1.00 0.00 C ATOM 368 CD GLU A 15 -11.885 -1.026 -11.350 1.00 0.00 C ATOM 369 OE1 GLU A 15 -10.849 -1.049 -10.653 1.00 0.00 O ATOM 370 OE2 GLU A 15 -12.248 -1.981 -12.069 1.00 0.00 O ATOM 0 H GLU A 15 -11.108 2.776 -9.116 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.966 2.741 -11.255 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.558 0.900 -9.674 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.237 0.597 -9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.790 -0.059 -11.440 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.486 0.855 -12.171 1.00 0.00 H new ATOM 377 N GLN A 16 -14.196 2.921 -8.194 1.00 0.00 N ATOM 378 CA GLN A 16 -15.397 3.233 -7.427 1.00 0.00 C ATOM 379 C GLN A 16 -15.757 4.711 -7.553 1.00 0.00 C ATOM 380 O GLN A 16 -16.925 5.086 -7.446 1.00 0.00 O ATOM 381 CB GLN A 16 -15.198 2.867 -5.956 1.00 0.00 C ATOM 382 CG GLN A 16 -15.253 1.371 -5.688 1.00 0.00 C ATOM 383 CD GLN A 16 -16.673 0.840 -5.643 1.00 0.00 C ATOM 384 OE1 GLN A 16 -17.097 0.096 -6.529 1.00 0.00 O ATOM 385 NE2 GLN A 16 -17.414 1.217 -4.609 1.00 0.00 N ATOM 0 H GLN A 16 -13.361 2.775 -7.627 1.00 0.00 H new ATOM 0 HA GLN A 16 -16.219 2.643 -7.832 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.235 3.252 -5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.964 3.363 -5.360 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -14.697 0.846 -6.464 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.758 1.157 -4.741 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -17.021 1.835 -3.898 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -18.376 0.889 -4.525 1.00 0.00 H new ATOM 394 N THR A 17 -14.748 5.546 -7.781 1.00 0.00 N ATOM 395 CA THR A 17 -14.960 6.983 -7.920 1.00 0.00 C ATOM 396 C THR A 17 -15.247 7.366 -9.371 1.00 0.00 C ATOM 397 O THR A 17 -15.315 8.549 -9.706 1.00 0.00 O ATOM 398 CB THR A 17 -13.740 7.751 -7.411 1.00 0.00 C ATOM 399 OG1 THR A 17 -12.556 7.267 -8.013 1.00 0.00 O ATOM 400 CG2 THR A 17 -13.562 7.667 -5.911 1.00 0.00 C ATOM 0 H THR A 17 -13.776 5.252 -7.873 1.00 0.00 H new ATOM 0 HA THR A 17 -15.830 7.250 -7.320 1.00 0.00 H new ATOM 0 HB THR A 17 -13.922 8.792 -7.680 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.107 6.648 -7.400 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.678 8.234 -5.617 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.440 8.082 -5.417 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.439 6.625 -5.617 1.00 0.00 H new ATOM 408 N ALA A 18 -15.414 6.365 -10.234 1.00 0.00 N ATOM 409 CA ALA A 18 -15.692 6.612 -11.642 1.00 0.00 C ATOM 410 C ALA A 18 -17.169 6.921 -11.861 1.00 0.00 C ATOM 411 O ALA A 18 -18.040 6.144 -11.469 1.00 0.00 O ATOM 412 CB ALA A 18 -15.267 5.415 -12.482 1.00 0.00 C ATOM 0 H ALA A 18 -15.361 5.378 -9.981 1.00 0.00 H new ATOM 0 HA ALA A 18 -15.116 7.482 -11.956 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -15.481 5.613 -13.532 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -14.198 5.243 -12.355 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.818 4.531 -12.160 1.00 0.00 H new ATOM 418 N GLY A 19 -17.444 8.058 -12.492 1.00 0.00 N ATOM 419 CA GLY A 19 -18.818 8.446 -12.753 1.00 0.00 C ATOM 420 C GLY A 19 -19.034 9.943 -12.635 1.00 0.00 C ATOM 421 O GLY A 19 -19.951 10.492 -13.245 1.00 0.00 O ATOM 0 H GLY A 19 -16.741 8.717 -12.827 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -19.100 8.120 -13.754 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -19.476 7.931 -12.053 1.00 0.00 H new ATOM 425 N TYR A 20 -18.190 10.605 -11.849 1.00 0.00 N ATOM 426 CA TYR A 20 -18.299 12.046 -11.657 1.00 0.00 C ATOM 427 C TYR A 20 -17.453 12.798 -12.685 1.00 0.00 C ATOM 428 O TYR A 20 -16.240 12.601 -12.760 1.00 0.00 O ATOM 429 CB TYR A 20 -17.858 12.430 -10.241 1.00 0.00 C ATOM 430 CG TYR A 20 -18.406 11.520 -9.163 1.00 0.00 C ATOM 431 CD1 TYR A 20 -17.842 10.275 -8.929 1.00 0.00 C ATOM 432 CD2 TYR A 20 -19.487 11.909 -8.382 1.00 0.00 C ATOM 433 CE1 TYR A 20 -18.338 9.440 -7.947 1.00 0.00 C ATOM 434 CE2 TYR A 20 -19.989 11.079 -7.397 1.00 0.00 C ATOM 435 CZ TYR A 20 -19.412 9.845 -7.184 1.00 0.00 C ATOM 436 OH TYR A 20 -19.909 9.017 -6.206 1.00 0.00 O ATOM 0 H TYR A 20 -17.425 10.167 -11.336 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.343 12.326 -11.794 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.769 12.419 -10.194 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.175 13.452 -10.036 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.001 9.953 -9.525 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -19.942 12.874 -8.547 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -17.886 8.474 -7.778 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -20.829 11.396 -6.797 1.00 0.00 H new ATOM 0 HH TYR A 20 -19.186 8.459 -5.851 1.00 0.00 H new ATOM 446 N PRO A 21 -18.079 13.674 -13.495 1.00 0.00 N ATOM 447 CA PRO A 21 -17.366 14.448 -14.518 1.00 0.00 C ATOM 448 C PRO A 21 -16.297 15.357 -13.919 1.00 0.00 C ATOM 449 O PRO A 21 -16.597 16.449 -13.438 1.00 0.00 O ATOM 450 CB PRO A 21 -18.466 15.289 -15.177 1.00 0.00 C ATOM 451 CG PRO A 21 -19.743 14.604 -14.828 1.00 0.00 C ATOM 452 CD PRO A 21 -19.519 13.975 -13.484 1.00 0.00 C ATOM 0 HA PRO A 21 -16.836 13.798 -15.214 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -18.454 16.314 -14.805 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -18.329 15.340 -16.257 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -20.570 15.313 -14.794 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -19.999 13.851 -15.574 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -19.783 14.653 -12.672 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -20.119 13.074 -13.355 1.00 0.00 H new ATOM 460 N GLY A 22 -15.049 14.899 -13.951 1.00 0.00 N ATOM 461 CA GLY A 22 -13.956 15.687 -13.410 1.00 0.00 C ATOM 462 C GLY A 22 -13.186 14.955 -12.327 1.00 0.00 C ATOM 463 O GLY A 22 -12.146 15.432 -11.871 1.00 0.00 O ATOM 0 H GLY A 22 -14.775 13.997 -14.341 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.274 15.956 -14.216 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.351 16.618 -13.003 1.00 0.00 H new ATOM 467 N VAL A 23 -13.695 13.800 -11.908 1.00 0.00 N ATOM 468 CA VAL A 23 -13.041 13.016 -10.869 1.00 0.00 C ATOM 469 C VAL A 23 -11.852 12.242 -11.430 1.00 0.00 C ATOM 470 O VAL A 23 -12.002 11.421 -12.336 1.00 0.00 O ATOM 471 CB VAL A 23 -14.024 12.031 -10.206 1.00 0.00 C ATOM 472 CG1 VAL A 23 -14.560 11.037 -11.225 1.00 0.00 C ATOM 473 CG2 VAL A 23 -13.355 11.308 -9.045 1.00 0.00 C ATOM 0 H VAL A 23 -14.555 13.389 -12.271 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.686 13.719 -10.116 1.00 0.00 H new ATOM 0 HB VAL A 23 -14.867 12.600 -9.814 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -15.252 10.351 -10.736 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -15.081 11.574 -12.018 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.732 10.472 -11.653 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -14.064 10.617 -8.589 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.492 10.753 -9.411 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.030 12.036 -8.302 1.00 0.00 H new ATOM 483 N HIS A 24 -10.674 12.510 -10.879 1.00 0.00 N ATOM 484 CA HIS A 24 -9.452 11.842 -11.314 1.00 0.00 C ATOM 485 C HIS A 24 -8.660 11.341 -10.111 1.00 0.00 C ATOM 486 O HIS A 24 -7.549 11.803 -9.848 1.00 0.00 O ATOM 487 CB HIS A 24 -8.596 12.794 -12.151 1.00 0.00 C ATOM 488 CG HIS A 24 -8.774 12.618 -13.627 1.00 0.00 C ATOM 489 ND1 HIS A 24 -8.663 11.396 -14.259 1.00 0.00 N ATOM 490 CD2 HIS A 24 -9.059 13.518 -14.600 1.00 0.00 C ATOM 491 CE1 HIS A 24 -8.870 11.552 -15.554 1.00 0.00 C ATOM 492 NE2 HIS A 24 -9.112 12.829 -15.787 1.00 0.00 N ATOM 0 H HIS A 24 -10.539 13.187 -10.128 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.727 10.985 -11.929 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.843 13.821 -11.884 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.546 12.642 -11.899 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -9.215 14.578 -14.467 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -8.845 10.768 -16.296 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -9.307 13.238 -16.701 1.00 0.00 H new ATOM 501 N VAL A 25 -9.240 10.397 -9.379 1.00 0.00 N ATOM 502 CA VAL A 25 -8.595 9.834 -8.201 1.00 0.00 C ATOM 503 C VAL A 25 -7.359 9.022 -8.579 1.00 0.00 C ATOM 504 O VAL A 25 -7.454 7.831 -8.873 1.00 0.00 O ATOM 505 CB VAL A 25 -9.559 8.935 -7.406 1.00 0.00 C ATOM 506 CG1 VAL A 25 -8.935 8.518 -6.083 1.00 0.00 C ATOM 507 CG2 VAL A 25 -10.885 9.645 -7.177 1.00 0.00 C ATOM 0 H VAL A 25 -10.159 10.005 -9.582 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.295 10.676 -7.577 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.750 8.035 -7.990 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.632 7.883 -5.536 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.014 7.966 -6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.711 9.405 -5.491 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.554 8.994 -6.614 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.714 10.563 -6.615 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.339 9.887 -8.138 1.00 0.00 H new ATOM 517 N SER A 26 -6.201 9.675 -8.561 1.00 0.00 N ATOM 518 CA SER A 26 -4.946 9.013 -8.895 1.00 0.00 C ATOM 519 C SER A 26 -3.788 9.603 -8.094 1.00 0.00 C ATOM 520 O SER A 26 -2.625 9.464 -8.470 1.00 0.00 O ATOM 521 CB SER A 26 -4.660 9.135 -10.392 1.00 0.00 C ATOM 522 OG SER A 26 -4.087 7.944 -10.902 1.00 0.00 O ATOM 0 H SER A 26 -6.106 10.661 -8.319 1.00 0.00 H new ATOM 0 HA SER A 26 -5.043 7.958 -8.637 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.585 9.354 -10.925 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.984 9.972 -10.569 1.00 0.00 H new ATOM 0 HG SER A 26 -3.915 8.048 -11.861 1.00 0.00 H new ATOM 528 N ASP A 27 -4.118 10.255 -6.983 1.00 0.00 N ATOM 529 CA ASP A 27 -3.110 10.862 -6.122 1.00 0.00 C ATOM 530 C ASP A 27 -3.442 10.620 -4.653 1.00 0.00 C ATOM 531 O ASP A 27 -4.609 10.620 -4.263 1.00 0.00 O ATOM 532 CB ASP A 27 -3.008 12.363 -6.397 1.00 0.00 C ATOM 533 CG ASP A 27 -2.849 12.669 -7.874 1.00 0.00 C ATOM 534 OD1 ASP A 27 -1.797 12.313 -8.444 1.00 0.00 O ATOM 535 OD2 ASP A 27 -3.778 13.264 -8.461 1.00 0.00 O ATOM 0 H ASP A 27 -5.077 10.376 -6.658 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.149 10.398 -6.342 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.901 12.861 -6.019 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.159 12.773 -5.850 1.00 0.00 H new ATOM 540 N LEU A 28 -2.411 10.408 -3.842 1.00 0.00 N ATOM 541 CA LEU A 28 -2.600 10.162 -2.418 1.00 0.00 C ATOM 542 C LEU A 28 -2.410 11.442 -1.612 1.00 0.00 C ATOM 543 O LEU A 28 -1.847 11.422 -0.518 1.00 0.00 O ATOM 544 CB LEU A 28 -1.623 9.087 -1.932 1.00 0.00 C ATOM 545 CG LEU A 28 -2.125 7.649 -2.065 1.00 0.00 C ATOM 546 CD1 LEU A 28 -0.957 6.676 -2.088 1.00 0.00 C ATOM 547 CD2 LEU A 28 -3.080 7.312 -0.930 1.00 0.00 C ATOM 0 H LEU A 28 -1.437 10.402 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.621 9.811 -2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.692 9.184 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.387 9.278 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.665 7.558 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.334 5.658 -2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.310 6.904 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.389 6.768 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.428 6.285 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.564 7.420 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.934 7.989 -0.960 1.00 0.00 H new ATOM 559 N SER A 29 -2.884 12.558 -2.159 1.00 0.00 N ATOM 560 CA SER A 29 -2.763 13.847 -1.485 1.00 0.00 C ATOM 561 C SER A 29 -3.750 14.864 -2.053 1.00 0.00 C ATOM 562 O SER A 29 -4.774 15.160 -1.439 1.00 0.00 O ATOM 563 CB SER A 29 -1.334 14.378 -1.610 1.00 0.00 C ATOM 564 OG SER A 29 -0.544 13.985 -0.501 1.00 0.00 O ATOM 0 H SER A 29 -3.354 12.596 -3.064 1.00 0.00 H new ATOM 0 HA SER A 29 -2.999 13.697 -0.431 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.884 14.006 -2.531 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.352 15.466 -1.680 1.00 0.00 H new ATOM 0 HG SER A 29 -0.776 13.069 -0.242 1.00 0.00 H new ATOM 570 N SER A 30 -3.428 15.402 -3.227 1.00 0.00 N ATOM 571 CA SER A 30 -4.282 16.393 -3.875 1.00 0.00 C ATOM 572 C SER A 30 -5.663 15.821 -4.185 1.00 0.00 C ATOM 573 O SER A 30 -6.679 16.480 -3.974 1.00 0.00 O ATOM 574 CB SER A 30 -3.625 16.893 -5.163 1.00 0.00 C ATOM 575 OG SER A 30 -4.277 18.052 -5.652 1.00 0.00 O ATOM 0 H SER A 30 -2.583 15.168 -3.748 1.00 0.00 H new ATOM 0 HA SER A 30 -4.408 17.227 -3.185 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.574 17.115 -4.976 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.656 16.108 -5.919 1.00 0.00 H new ATOM 0 HG SER A 30 -3.837 18.352 -6.475 1.00 0.00 H new ATOM 581 N SER A 31 -5.690 14.593 -4.693 1.00 0.00 N ATOM 582 CA SER A 31 -6.947 13.935 -5.042 1.00 0.00 C ATOM 583 C SER A 31 -7.918 13.923 -3.862 1.00 0.00 C ATOM 584 O SER A 31 -9.133 13.855 -4.051 1.00 0.00 O ATOM 585 CB SER A 31 -6.680 12.503 -5.513 1.00 0.00 C ATOM 586 OG SER A 31 -6.941 12.366 -6.900 1.00 0.00 O ATOM 0 H SER A 31 -4.857 14.033 -4.873 1.00 0.00 H new ATOM 0 HA SER A 31 -7.407 14.502 -5.851 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.644 12.236 -5.307 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.306 11.809 -4.952 1.00 0.00 H new ATOM 0 HG SER A 31 -6.125 12.561 -7.407 1.00 0.00 H new ATOM 592 N TRP A 32 -7.379 13.986 -2.648 1.00 0.00 N ATOM 593 CA TRP A 32 -8.207 13.977 -1.446 1.00 0.00 C ATOM 594 C TRP A 32 -8.364 15.381 -0.859 1.00 0.00 C ATOM 595 O TRP A 32 -9.044 15.565 0.151 1.00 0.00 O ATOM 596 CB TRP A 32 -7.606 13.039 -0.398 1.00 0.00 C ATOM 597 CG TRP A 32 -7.259 11.687 -0.943 1.00 0.00 C ATOM 598 CD1 TRP A 32 -6.211 11.377 -1.760 1.00 0.00 C ATOM 599 CD2 TRP A 32 -7.963 10.461 -0.710 1.00 0.00 C ATOM 600 NE1 TRP A 32 -6.219 10.034 -2.051 1.00 0.00 N ATOM 601 CE2 TRP A 32 -7.285 9.450 -1.419 1.00 0.00 C ATOM 602 CE3 TRP A 32 -9.101 10.119 0.026 1.00 0.00 C ATOM 603 CZ2 TRP A 32 -7.708 8.123 -1.410 1.00 0.00 C ATOM 604 CZ3 TRP A 32 -9.519 8.801 0.034 1.00 0.00 C ATOM 605 CH2 TRP A 32 -8.824 7.817 -0.680 1.00 0.00 C ATOM 0 H TRP A 32 -6.376 14.044 -2.471 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.197 13.619 -1.729 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.708 13.497 0.018 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -8.313 12.922 0.423 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.481 12.084 -2.125 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -5.542 9.551 -2.641 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.644 10.871 0.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -7.174 7.362 -1.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -10.396 8.526 0.600 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.176 6.796 -0.654 1.00 0.00 H new ATOM 616 N ALA A 33 -7.733 16.368 -1.491 1.00 0.00 N ATOM 617 CA ALA A 33 -7.808 17.749 -1.022 1.00 0.00 C ATOM 618 C ALA A 33 -9.256 18.206 -0.872 1.00 0.00 C ATOM 619 O ALA A 33 -9.691 18.571 0.221 1.00 0.00 O ATOM 620 CB ALA A 33 -7.060 18.669 -1.973 1.00 0.00 C ATOM 0 H ALA A 33 -7.165 16.237 -2.328 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.338 17.796 -0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.124 19.695 -1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.014 18.367 -2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.505 18.606 -2.966 1.00 0.00 H new ATOM 626 N ASP A 34 -9.999 18.184 -1.973 1.00 0.00 N ATOM 627 CA ASP A 34 -11.399 18.597 -1.958 1.00 0.00 C ATOM 628 C ASP A 34 -12.297 17.488 -1.411 1.00 0.00 C ATOM 629 O ASP A 34 -13.504 17.678 -1.259 1.00 0.00 O ATOM 630 CB ASP A 34 -11.852 18.992 -3.367 1.00 0.00 C ATOM 631 CG ASP A 34 -11.571 17.910 -4.391 1.00 0.00 C ATOM 632 OD1 ASP A 34 -11.385 16.743 -3.986 1.00 0.00 O ATOM 633 OD2 ASP A 34 -11.537 18.230 -5.598 1.00 0.00 O ATOM 0 H ASP A 34 -9.657 17.885 -2.886 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.486 19.461 -1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.920 19.208 -3.355 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.345 19.910 -3.664 1.00 0.00 H new ATOM 638 N GLY A 35 -11.708 16.331 -1.114 1.00 0.00 N ATOM 639 CA GLY A 35 -12.480 15.222 -0.585 1.00 0.00 C ATOM 640 C GLY A 35 -13.360 14.571 -1.634 1.00 0.00 C ATOM 641 O GLY A 35 -14.455 14.100 -1.328 1.00 0.00 O ATOM 0 H GLY A 35 -10.712 16.144 -1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.801 14.476 -0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.102 15.577 0.237 1.00 0.00 H new ATOM 645 N LEU A 36 -12.881 14.550 -2.874 1.00 0.00 N ATOM 646 CA LEU A 36 -13.635 13.957 -3.973 1.00 0.00 C ATOM 647 C LEU A 36 -13.600 12.431 -3.908 1.00 0.00 C ATOM 648 O LEU A 36 -14.616 11.771 -4.118 1.00 0.00 O ATOM 649 CB LEU A 36 -13.078 14.438 -5.316 1.00 0.00 C ATOM 650 CG LEU A 36 -13.957 15.448 -6.055 1.00 0.00 C ATOM 651 CD1 LEU A 36 -15.268 14.802 -6.481 1.00 0.00 C ATOM 652 CD2 LEU A 36 -14.219 16.668 -5.180 1.00 0.00 C ATOM 0 H LEU A 36 -11.976 14.936 -3.143 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.673 14.277 -3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.099 14.886 -5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.925 13.572 -5.960 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.429 15.775 -6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.881 15.535 -7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -15.061 13.961 -7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -15.802 14.446 -5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.846 17.376 -5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.727 16.358 -4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.272 17.143 -4.925 1.00 0.00 H new ATOM 664 N ALA A 37 -12.427 11.878 -3.620 1.00 0.00 N ATOM 665 CA ALA A 37 -12.268 10.430 -3.534 1.00 0.00 C ATOM 666 C ALA A 37 -13.128 9.846 -2.419 1.00 0.00 C ATOM 667 O ALA A 37 -13.837 8.857 -2.618 1.00 0.00 O ATOM 668 CB ALA A 37 -10.806 10.073 -3.318 1.00 0.00 C ATOM 0 H ALA A 37 -11.574 12.408 -3.442 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.602 9.997 -4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.701 8.990 -3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.213 10.447 -4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.454 10.525 -2.391 1.00 0.00 H new ATOM 674 N LEU A 38 -13.067 10.465 -1.245 1.00 0.00 N ATOM 675 CA LEU A 38 -13.845 10.007 -0.101 1.00 0.00 C ATOM 676 C LEU A 38 -15.335 10.186 -0.357 1.00 0.00 C ATOM 677 O LEU A 38 -16.134 9.284 -0.106 1.00 0.00 O ATOM 678 CB LEU A 38 -13.436 10.770 1.161 1.00 0.00 C ATOM 679 CG LEU A 38 -12.241 10.186 1.916 1.00 0.00 C ATOM 680 CD1 LEU A 38 -11.810 11.117 3.037 1.00 0.00 C ATOM 681 CD2 LEU A 38 -12.580 8.807 2.464 1.00 0.00 C ATOM 0 H LEU A 38 -12.488 11.284 -1.061 1.00 0.00 H new ATOM 0 HA LEU A 38 -13.642 8.946 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.204 11.799 0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.290 10.806 1.837 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.409 10.084 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.959 10.684 3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.526 12.083 2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.636 11.253 3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.719 8.406 2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.426 8.885 3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.838 8.141 1.640 1.00 0.00 H new ATOM 693 N CYS A 39 -15.702 11.359 -0.863 1.00 0.00 N ATOM 694 CA CYS A 39 -17.095 11.663 -1.161 1.00 0.00 C ATOM 695 C CYS A 39 -17.650 10.709 -2.212 1.00 0.00 C ATOM 696 O CYS A 39 -18.749 10.175 -2.063 1.00 0.00 O ATOM 697 CB CYS A 39 -17.227 13.107 -1.648 1.00 0.00 C ATOM 698 SG CYS A 39 -17.409 14.321 -0.321 1.00 0.00 S ATOM 0 H CYS A 39 -15.052 12.115 -1.075 1.00 0.00 H new ATOM 0 HA CYS A 39 -17.672 11.538 -0.245 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -16.348 13.361 -2.240 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -18.089 13.178 -2.311 1.00 0.00 H new ATOM 0 HG CYS A 39 -16.249 14.839 -0.044 1.00 0.00 H new ATOM 704 N ALA A 40 -16.882 10.499 -3.277 1.00 0.00 N ATOM 705 CA ALA A 40 -17.297 9.611 -4.356 1.00 0.00 C ATOM 706 C ALA A 40 -17.638 8.222 -3.826 1.00 0.00 C ATOM 707 O ALA A 40 -18.608 7.601 -4.262 1.00 0.00 O ATOM 708 CB ALA A 40 -16.206 9.522 -5.413 1.00 0.00 C ATOM 0 H ALA A 40 -15.969 10.932 -3.415 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.196 10.027 -4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.528 8.856 -6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.014 10.514 -5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.293 9.132 -4.962 1.00 0.00 H new ATOM 714 N LEU A 41 -16.835 7.739 -2.883 1.00 0.00 N ATOM 715 CA LEU A 41 -17.056 6.423 -2.294 1.00 0.00 C ATOM 716 C LEU A 41 -18.393 6.371 -1.556 1.00 0.00 C ATOM 717 O LEU A 41 -19.213 5.485 -1.796 1.00 0.00 O ATOM 718 CB LEU A 41 -15.917 6.072 -1.334 1.00 0.00 C ATOM 719 CG LEU A 41 -14.566 5.805 -2.000 1.00 0.00 C ATOM 720 CD1 LEU A 41 -13.474 5.663 -0.953 1.00 0.00 C ATOM 721 CD2 LEU A 41 -14.639 4.558 -2.869 1.00 0.00 C ATOM 0 H LEU A 41 -16.027 8.238 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.080 5.692 -3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -15.798 6.888 -0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.203 5.189 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.321 6.655 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.520 5.473 -1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.406 6.582 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.712 4.831 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.670 4.382 -3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.906 3.700 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.394 4.697 -3.643 1.00 0.00 H new ATOM 733 N VAL A 42 -18.603 7.328 -0.657 1.00 0.00 N ATOM 734 CA VAL A 42 -19.837 7.394 0.117 1.00 0.00 C ATOM 735 C VAL A 42 -21.054 7.524 -0.793 1.00 0.00 C ATOM 736 O VAL A 42 -22.030 6.787 -0.652 1.00 0.00 O ATOM 737 CB VAL A 42 -19.822 8.581 1.101 1.00 0.00 C ATOM 738 CG1 VAL A 42 -20.987 8.484 2.073 1.00 0.00 C ATOM 739 CG2 VAL A 42 -18.498 8.640 1.848 1.00 0.00 C ATOM 0 H VAL A 42 -17.934 8.069 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 42 -19.904 6.463 0.680 1.00 0.00 H new ATOM 0 HB VAL A 42 -19.931 9.503 0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -20.960 9.330 2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -21.925 8.497 1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -20.912 7.555 2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -18.507 9.484 2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.354 7.716 2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.683 8.763 1.135 1.00 0.00 H new ATOM 749 N TYR A 43 -20.988 8.467 -1.726 1.00 0.00 N ATOM 750 CA TYR A 43 -22.082 8.701 -2.664 1.00 0.00 C ATOM 751 C TYR A 43 -22.443 7.424 -3.416 1.00 0.00 C ATOM 752 O TYR A 43 -23.615 7.158 -3.681 1.00 0.00 O ATOM 753 CB TYR A 43 -21.700 9.800 -3.654 1.00 0.00 C ATOM 754 CG TYR A 43 -22.828 10.207 -4.576 1.00 0.00 C ATOM 755 CD1 TYR A 43 -23.786 11.124 -4.166 1.00 0.00 C ATOM 756 CD2 TYR A 43 -22.932 9.675 -5.855 1.00 0.00 C ATOM 757 CE1 TYR A 43 -24.819 11.500 -5.004 1.00 0.00 C ATOM 758 CE2 TYR A 43 -23.962 10.046 -6.700 1.00 0.00 C ATOM 759 CZ TYR A 43 -24.901 10.959 -6.269 1.00 0.00 C ATOM 760 OH TYR A 43 -25.929 11.330 -7.108 1.00 0.00 O ATOM 0 H TYR A 43 -20.186 9.084 -1.854 1.00 0.00 H new ATOM 0 HA TYR A 43 -22.955 9.019 -2.094 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -21.362 10.675 -3.099 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -20.857 9.459 -4.255 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -23.723 11.551 -3.176 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -22.197 8.960 -6.195 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -25.558 12.214 -4.669 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -24.030 9.623 -7.691 1.00 0.00 H new ATOM 0 HH TYR A 43 -25.840 10.858 -7.962 1.00 0.00 H new ATOM 770 N ARG A 44 -21.427 6.640 -3.760 1.00 0.00 N ATOM 771 CA ARG A 44 -21.637 5.392 -4.486 1.00 0.00 C ATOM 772 C ARG A 44 -22.464 4.414 -3.655 1.00 0.00 C ATOM 773 O ARG A 44 -23.362 3.752 -4.171 1.00 0.00 O ATOM 774 CB ARG A 44 -20.294 4.762 -4.859 1.00 0.00 C ATOM 775 CG ARG A 44 -20.118 4.545 -6.354 1.00 0.00 C ATOM 776 CD ARG A 44 -20.231 3.074 -6.727 1.00 0.00 C ATOM 777 NE ARG A 44 -21.433 2.797 -7.509 1.00 0.00 N ATOM 778 CZ ARG A 44 -21.601 1.704 -8.250 1.00 0.00 C ATOM 779 NH1 ARG A 44 -20.648 0.783 -8.311 1.00 0.00 N ATOM 780 NH2 ARG A 44 -22.726 1.530 -8.930 1.00 0.00 N ATOM 0 H ARG A 44 -20.451 6.846 -3.548 1.00 0.00 H new ATOM 0 HA ARG A 44 -22.187 5.618 -5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -19.489 5.401 -4.496 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -20.197 3.805 -4.347 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -20.872 5.117 -6.896 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -19.145 4.925 -6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -19.351 2.776 -7.297 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -20.242 2.470 -5.820 1.00 0.00 H new ATOM 0 HE ARG A 44 -22.189 3.482 -7.486 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -19.781 0.911 -7.789 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -20.782 -0.053 -8.880 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -23.463 2.234 -8.885 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -22.854 0.692 -9.498 1.00 0.00 H new ATOM 794 N LEU A 45 -22.153 4.329 -2.365 1.00 0.00 N ATOM 795 CA LEU A 45 -22.870 3.432 -1.465 1.00 0.00 C ATOM 796 C LEU A 45 -24.258 3.977 -1.143 1.00 0.00 C ATOM 797 O LEU A 45 -25.212 3.217 -0.979 1.00 0.00 O ATOM 798 CB LEU A 45 -22.074 3.227 -0.176 1.00 0.00 C ATOM 799 CG LEU A 45 -21.103 2.044 -0.194 1.00 0.00 C ATOM 800 CD1 LEU A 45 -21.864 0.728 -0.170 1.00 0.00 C ATOM 801 CD2 LEU A 45 -20.199 2.118 -1.415 1.00 0.00 C ATOM 0 H LEU A 45 -21.411 4.869 -1.920 1.00 0.00 H new ATOM 0 HA LEU A 45 -22.987 2.471 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.511 4.136 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.775 3.089 0.647 1.00 0.00 H new ATOM 0 HG LEU A 45 -20.480 2.095 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -21.157 -0.101 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.469 0.674 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -22.512 0.666 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -19.515 1.270 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -20.807 2.092 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -19.627 3.046 -1.389 1.00 0.00 H new ATOM 813 N GLN A 46 -24.363 5.300 -1.053 1.00 0.00 N ATOM 814 CA GLN A 46 -25.634 5.949 -0.751 1.00 0.00 C ATOM 815 C GLN A 46 -25.691 7.343 -1.371 1.00 0.00 C ATOM 816 O GLN A 46 -25.452 8.343 -0.695 1.00 0.00 O ATOM 817 CB GLN A 46 -25.838 6.039 0.763 1.00 0.00 C ATOM 818 CG GLN A 46 -26.698 4.920 1.329 1.00 0.00 C ATOM 819 CD GLN A 46 -27.587 5.385 2.464 1.00 0.00 C ATOM 820 OE1 GLN A 46 -28.708 5.845 2.241 1.00 0.00 O ATOM 821 NE2 GLN A 46 -27.092 5.268 3.690 1.00 0.00 N ATOM 0 H GLN A 46 -23.583 5.943 -1.185 1.00 0.00 H new ATOM 0 HA GLN A 46 -26.435 5.347 -1.181 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -24.865 6.022 1.254 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -26.299 6.997 1.003 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -27.318 4.505 0.534 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -26.054 4.115 1.683 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -26.158 4.881 3.828 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -27.645 5.565 4.494 1.00 0.00 H new ATOM 830 N PRO A 47 -26.008 7.424 -2.676 1.00 0.00 N ATOM 831 CA PRO A 47 -26.094 8.704 -3.389 1.00 0.00 C ATOM 832 C PRO A 47 -27.299 9.530 -2.959 1.00 0.00 C ATOM 833 O PRO A 47 -27.224 10.756 -2.863 1.00 0.00 O ATOM 834 CB PRO A 47 -26.227 8.285 -4.854 1.00 0.00 C ATOM 835 CG PRO A 47 -26.838 6.928 -4.805 1.00 0.00 C ATOM 836 CD PRO A 47 -26.306 6.280 -3.557 1.00 0.00 C ATOM 0 HA PRO A 47 -25.231 9.339 -3.189 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -26.854 8.982 -5.410 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -25.256 8.265 -5.350 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -27.926 6.990 -4.779 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -26.573 6.348 -5.689 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -27.039 5.609 -3.109 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.414 5.687 -3.761 1.00 0.00 H new ATOM 844 N GLY A 48 -28.408 8.851 -2.700 1.00 0.00 N ATOM 845 CA GLY A 48 -29.617 9.535 -2.280 1.00 0.00 C ATOM 846 C GLY A 48 -29.445 10.256 -0.960 1.00 0.00 C ATOM 847 O GLY A 48 -30.025 11.321 -0.744 1.00 0.00 O ATOM 0 H GLY A 48 -28.493 7.837 -2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -29.910 10.252 -3.047 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -30.428 8.812 -2.193 1.00 0.00 H new ATOM 851 N LEU A 49 -28.646 9.673 -0.071 1.00 0.00 N ATOM 852 CA LEU A 49 -28.399 10.266 1.239 1.00 0.00 C ATOM 853 C LEU A 49 -27.129 11.114 1.231 1.00 0.00 C ATOM 854 O LEU A 49 -26.544 11.375 2.284 1.00 0.00 O ATOM 855 CB LEU A 49 -28.287 9.170 2.301 1.00 0.00 C ATOM 856 CG LEU A 49 -29.613 8.538 2.728 1.00 0.00 C ATOM 857 CD1 LEU A 49 -30.427 9.517 3.560 1.00 0.00 C ATOM 858 CD2 LEU A 49 -30.404 8.083 1.511 1.00 0.00 C ATOM 0 H LEU A 49 -28.159 8.792 -0.234 1.00 0.00 H new ATOM 0 HA LEU A 49 -29.241 10.915 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -27.634 8.384 1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -27.802 9.589 3.183 1.00 0.00 H new ATOM 0 HG LEU A 49 -29.396 7.664 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -31.367 9.050 3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -29.864 9.793 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -30.635 10.410 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -31.344 7.636 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -30.611 8.940 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -29.824 7.346 0.955 1.00 0.00 H new ATOM 870 N LEU A 50 -26.703 11.542 0.046 1.00 0.00 N ATOM 871 CA LEU A 50 -25.502 12.358 -0.082 1.00 0.00 C ATOM 872 C LEU A 50 -25.669 13.415 -1.170 1.00 0.00 C ATOM 873 O LEU A 50 -26.612 13.369 -1.959 1.00 0.00 O ATOM 874 CB LEU A 50 -24.292 11.471 -0.391 1.00 0.00 C ATOM 875 CG LEU A 50 -23.347 11.229 0.788 1.00 0.00 C ATOM 876 CD1 LEU A 50 -22.905 12.549 1.398 1.00 0.00 C ATOM 877 CD2 LEU A 50 -24.013 10.351 1.836 1.00 0.00 C ATOM 0 H LEU A 50 -27.171 11.337 -0.837 1.00 0.00 H new ATOM 0 HA LEU A 50 -25.337 12.870 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -24.650 10.507 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -23.725 11.926 -1.203 1.00 0.00 H new ATOM 0 HG LEU A 50 -22.463 10.710 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -22.234 12.356 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -22.386 13.142 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -23.778 13.097 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -23.325 10.190 2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -24.915 10.842 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -24.277 9.391 1.392 1.00 0.00 H new ATOM 889 N GLU A 51 -24.735 14.363 -1.210 1.00 0.00 N ATOM 890 CA GLU A 51 -24.763 15.433 -2.202 1.00 0.00 C ATOM 891 C GLU A 51 -23.385 16.086 -2.329 1.00 0.00 C ATOM 892 O GLU A 51 -23.264 17.312 -2.311 1.00 0.00 O ATOM 893 CB GLU A 51 -25.808 16.485 -1.819 1.00 0.00 C ATOM 894 CG GLU A 51 -27.240 16.038 -2.063 1.00 0.00 C ATOM 895 CD GLU A 51 -28.165 17.194 -2.386 1.00 0.00 C ATOM 896 OE1 GLU A 51 -27.895 18.320 -1.917 1.00 0.00 O ATOM 897 OE2 GLU A 51 -29.159 16.975 -3.111 1.00 0.00 O ATOM 0 H GLU A 51 -23.947 14.411 -0.564 1.00 0.00 H new ATOM 0 HA GLU A 51 -25.033 15.000 -3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -25.689 16.736 -0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -25.619 17.396 -2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -27.258 15.323 -2.885 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -27.610 15.518 -1.179 1.00 0.00 H new ATOM 904 N PRO A 52 -22.324 15.269 -2.461 1.00 0.00 N ATOM 905 CA PRO A 52 -20.951 15.768 -2.588 1.00 0.00 C ATOM 906 C PRO A 52 -20.760 16.659 -3.809 1.00 0.00 C ATOM 907 O PRO A 52 -19.783 17.399 -3.897 1.00 0.00 O ATOM 908 CB PRO A 52 -20.107 14.495 -2.722 1.00 0.00 C ATOM 909 CG PRO A 52 -21.067 13.435 -3.137 1.00 0.00 C ATOM 910 CD PRO A 52 -22.375 13.798 -2.499 1.00 0.00 C ATOM 0 HA PRO A 52 -20.675 16.390 -1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.316 14.622 -3.461 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.623 14.242 -1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.159 13.394 -4.222 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -20.731 12.452 -2.808 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -23.223 13.438 -3.082 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -22.470 13.371 -1.501 1.00 0.00 H new ATOM 918 N SER A 53 -21.697 16.590 -4.750 1.00 0.00 N ATOM 919 CA SER A 53 -21.618 17.404 -5.957 1.00 0.00 C ATOM 920 C SER A 53 -21.485 18.880 -5.598 1.00 0.00 C ATOM 921 O SER A 53 -20.698 19.609 -6.203 1.00 0.00 O ATOM 922 CB SER A 53 -22.857 17.187 -6.828 1.00 0.00 C ATOM 923 OG SER A 53 -22.889 15.870 -7.351 1.00 0.00 O ATOM 0 H SER A 53 -22.515 15.983 -4.700 1.00 0.00 H new ATOM 0 HA SER A 53 -20.735 17.099 -6.519 1.00 0.00 H new ATOM 0 HB2 SER A 53 -23.756 17.370 -6.239 1.00 0.00 H new ATOM 0 HB3 SER A 53 -22.861 17.907 -7.647 1.00 0.00 H new ATOM 0 HG SER A 53 -23.691 15.756 -7.902 1.00 0.00 H new ATOM 929 N GLU A 54 -22.255 19.306 -4.606 1.00 0.00 N ATOM 930 CA GLU A 54 -22.225 20.691 -4.152 1.00 0.00 C ATOM 931 C GLU A 54 -20.931 20.995 -3.400 1.00 0.00 C ATOM 932 O GLU A 54 -20.251 21.979 -3.683 1.00 0.00 O ATOM 933 CB GLU A 54 -23.433 20.978 -3.257 1.00 0.00 C ATOM 934 CG GLU A 54 -24.222 22.209 -3.676 1.00 0.00 C ATOM 935 CD GLU A 54 -25.376 22.507 -2.739 1.00 0.00 C ATOM 936 OE1 GLU A 54 -25.844 21.571 -2.057 1.00 0.00 O ATOM 937 OE2 GLU A 54 -25.810 23.676 -2.687 1.00 0.00 O ATOM 0 H GLU A 54 -22.910 18.711 -4.099 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.268 21.337 -5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -24.095 20.112 -3.266 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.091 21.108 -2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -23.554 23.070 -3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.606 22.064 -4.686 1.00 0.00 H new ATOM 944 N LEU A 55 -20.604 20.139 -2.436 1.00 0.00 N ATOM 945 CA LEU A 55 -19.399 20.307 -1.627 1.00 0.00 C ATOM 946 C LEU A 55 -18.133 20.005 -2.426 1.00 0.00 C ATOM 947 O LEU A 55 -17.022 20.255 -1.955 1.00 0.00 O ATOM 948 CB LEU A 55 -19.462 19.402 -0.396 1.00 0.00 C ATOM 949 CG LEU A 55 -20.792 19.426 0.359 1.00 0.00 C ATOM 950 CD1 LEU A 55 -21.108 18.051 0.928 1.00 0.00 C ATOM 951 CD2 LEU A 55 -20.757 20.469 1.465 1.00 0.00 C ATOM 0 H LEU A 55 -21.159 19.318 -2.195 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.356 21.350 -1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.257 18.378 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.667 19.693 0.291 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.582 19.696 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -22.058 18.088 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -21.176 17.328 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.317 17.751 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -21.711 20.473 1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -19.957 20.230 2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.578 21.453 1.032 1.00 0.00 H new ATOM 963 N GLN A 56 -18.297 19.456 -3.625 1.00 0.00 N ATOM 964 CA GLN A 56 -17.158 19.111 -4.467 1.00 0.00 C ATOM 965 C GLN A 56 -16.327 20.345 -4.803 1.00 0.00 C ATOM 966 O GLN A 56 -15.113 20.258 -4.975 1.00 0.00 O ATOM 967 CB GLN A 56 -17.638 18.440 -5.755 1.00 0.00 C ATOM 968 CG GLN A 56 -16.509 18.054 -6.700 1.00 0.00 C ATOM 969 CD GLN A 56 -16.732 18.558 -8.112 1.00 0.00 C ATOM 970 OE1 GLN A 56 -17.613 18.076 -8.825 1.00 0.00 O ATOM 971 NE2 GLN A 56 -15.931 19.534 -8.526 1.00 0.00 N ATOM 0 H GLN A 56 -19.206 19.241 -4.035 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.528 18.416 -3.912 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.207 17.546 -5.499 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.320 19.114 -6.273 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -15.569 18.454 -6.320 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -16.410 16.969 -6.717 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -15.214 19.904 -7.902 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.033 19.913 -9.467 1.00 0.00 H new ATOM 980 N GLY A 57 -16.986 21.495 -4.893 1.00 0.00 N ATOM 981 CA GLY A 57 -16.283 22.724 -5.206 1.00 0.00 C ATOM 982 C GLY A 57 -16.641 23.865 -4.270 1.00 0.00 C ATOM 983 O GLY A 57 -16.178 24.991 -4.453 1.00 0.00 O ATOM 0 H GLY A 57 -17.991 21.598 -4.755 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.209 22.545 -5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -16.511 23.016 -6.231 1.00 0.00 H new ATOM 987 N LEU A 58 -17.463 23.579 -3.265 1.00 0.00 N ATOM 988 CA LEU A 58 -17.874 24.593 -2.303 1.00 0.00 C ATOM 989 C LEU A 58 -16.890 24.676 -1.142 1.00 0.00 C ATOM 990 O LEU A 58 -16.745 25.722 -0.511 1.00 0.00 O ATOM 991 CB LEU A 58 -19.280 24.290 -1.776 1.00 0.00 C ATOM 992 CG LEU A 58 -20.374 25.214 -2.313 1.00 0.00 C ATOM 993 CD1 LEU A 58 -21.237 24.489 -3.336 1.00 0.00 C ATOM 994 CD2 LEU A 58 -21.231 25.750 -1.175 1.00 0.00 C ATOM 0 H LEU A 58 -17.857 22.653 -3.097 1.00 0.00 H new ATOM 0 HA LEU A 58 -17.885 25.556 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.535 23.261 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.268 24.357 -0.688 1.00 0.00 H new ATOM 0 HG LEU A 58 -19.893 26.058 -2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.009 25.164 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -20.615 24.159 -4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -21.706 23.623 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.003 26.405 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.699 24.918 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -20.605 26.311 -0.481 1.00 0.00 H new ATOM 1006 N GLY A 59 -16.215 23.566 -0.866 1.00 0.00 N ATOM 1007 CA GLY A 59 -15.254 23.537 0.221 1.00 0.00 C ATOM 1008 C GLY A 59 -14.647 22.163 0.423 1.00 0.00 C ATOM 1009 O GLY A 59 -15.339 21.150 0.322 1.00 0.00 O ATOM 0 H GLY A 59 -16.316 22.687 -1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.460 24.255 0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.743 23.854 1.142 1.00 0.00 H new ATOM 1013 N ALA A 60 -13.350 22.127 0.710 1.00 0.00 N ATOM 1014 CA ALA A 60 -12.649 20.869 0.929 1.00 0.00 C ATOM 1015 C ALA A 60 -13.008 20.271 2.285 1.00 0.00 C ATOM 1016 O ALA A 60 -13.526 19.158 2.367 1.00 0.00 O ATOM 1017 CB ALA A 60 -11.146 21.077 0.821 1.00 0.00 C ATOM 0 H ALA A 60 -12.763 22.957 0.796 1.00 0.00 H new ATOM 0 HA ALA A 60 -12.963 20.166 0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.635 20.129 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.901 21.452 -0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.824 21.799 1.571 1.00 0.00 H new ATOM 1023 N LEU A 61 -12.726 21.019 3.348 1.00 0.00 N ATOM 1024 CA LEU A 61 -13.018 20.563 4.702 1.00 0.00 C ATOM 1025 C LEU A 61 -14.513 20.320 4.885 1.00 0.00 C ATOM 1026 O LEU A 61 -14.920 19.378 5.565 1.00 0.00 O ATOM 1027 CB LEU A 61 -12.529 21.591 5.724 1.00 0.00 C ATOM 1028 CG LEU A 61 -11.009 21.681 5.875 1.00 0.00 C ATOM 1029 CD1 LEU A 61 -10.582 23.116 6.141 1.00 0.00 C ATOM 1030 CD2 LEU A 61 -10.530 20.763 6.990 1.00 0.00 C ATOM 0 H LEU A 61 -12.296 21.943 3.297 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.493 19.621 4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -12.909 22.572 5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.962 21.350 6.695 1.00 0.00 H new ATOM 0 HG LEU A 61 -10.550 21.356 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.498 23.160 6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.892 23.748 5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -11.050 23.470 7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.447 20.839 7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.997 21.057 7.930 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -10.802 19.734 6.756 1.00 0.00 H new ATOM 1042 N GLU A 62 -15.326 21.177 4.278 1.00 0.00 N ATOM 1043 CA GLU A 62 -16.777 21.056 4.374 1.00 0.00 C ATOM 1044 C GLU A 62 -17.257 19.744 3.763 1.00 0.00 C ATOM 1045 O GLU A 62 -18.066 19.032 4.357 1.00 0.00 O ATOM 1046 CB GLU A 62 -17.455 22.235 3.674 1.00 0.00 C ATOM 1047 CG GLU A 62 -18.847 22.538 4.202 1.00 0.00 C ATOM 1048 CD GLU A 62 -19.311 23.938 3.853 1.00 0.00 C ATOM 1049 OE1 GLU A 62 -18.519 24.887 4.026 1.00 0.00 O ATOM 1050 OE2 GLU A 62 -20.467 24.086 3.405 1.00 0.00 O ATOM 0 H GLU A 62 -15.005 21.964 3.714 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.047 21.064 5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.831 23.122 3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.518 22.025 2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.552 21.813 3.794 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.855 22.416 5.285 1.00 0.00 H new ATOM 1057 N ALA A 63 -16.755 19.432 2.572 1.00 0.00 N ATOM 1058 CA ALA A 63 -17.136 18.206 1.880 1.00 0.00 C ATOM 1059 C ALA A 63 -16.661 16.973 2.640 1.00 0.00 C ATOM 1060 O ALA A 63 -17.391 15.988 2.762 1.00 0.00 O ATOM 1061 CB ALA A 63 -16.572 18.203 0.467 1.00 0.00 C ATOM 0 H ALA A 63 -16.084 20.011 2.067 1.00 0.00 H new ATOM 0 HA ALA A 63 -18.224 18.172 1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.863 17.283 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.963 19.059 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.485 18.265 0.509 1.00 0.00 H new ATOM 1067 N THR A 64 -15.436 17.031 3.149 1.00 0.00 N ATOM 1068 CA THR A 64 -14.865 15.915 3.897 1.00 0.00 C ATOM 1069 C THR A 64 -15.601 15.706 5.216 1.00 0.00 C ATOM 1070 O THR A 64 -16.016 14.594 5.538 1.00 0.00 O ATOM 1071 CB THR A 64 -13.377 16.158 4.163 1.00 0.00 C ATOM 1072 OG1 THR A 64 -13.099 17.546 4.248 1.00 0.00 O ATOM 1073 CG2 THR A 64 -12.475 15.569 3.099 1.00 0.00 C ATOM 0 H THR A 64 -14.819 17.838 3.058 1.00 0.00 H new ATOM 0 HA THR A 64 -14.977 15.014 3.294 1.00 0.00 H new ATOM 0 HB THR A 64 -13.168 15.659 5.109 1.00 0.00 H new ATOM 0 HG1 THR A 64 -13.031 17.922 3.346 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.434 15.777 3.348 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.628 14.491 3.049 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.713 16.015 2.133 1.00 0.00 H new ATOM 1081 N ALA A 65 -15.756 16.785 5.979 1.00 0.00 N ATOM 1082 CA ALA A 65 -16.438 16.719 7.265 1.00 0.00 C ATOM 1083 C ALA A 65 -17.862 16.193 7.110 1.00 0.00 C ATOM 1084 O ALA A 65 -18.315 15.360 7.895 1.00 0.00 O ATOM 1085 CB ALA A 65 -16.450 18.090 7.925 1.00 0.00 C ATOM 0 H ALA A 65 -15.418 17.714 5.728 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.891 16.023 7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.962 18.027 8.885 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.425 18.427 8.082 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.971 18.799 7.281 1.00 0.00 H new ATOM 1091 N TRP A 66 -18.562 16.684 6.093 1.00 0.00 N ATOM 1092 CA TRP A 66 -19.934 16.262 5.835 1.00 0.00 C ATOM 1093 C TRP A 66 -19.986 14.797 5.411 1.00 0.00 C ATOM 1094 O TRP A 66 -20.789 14.020 5.924 1.00 0.00 O ATOM 1095 CB TRP A 66 -20.564 17.141 4.752 1.00 0.00 C ATOM 1096 CG TRP A 66 -22.022 17.402 4.973 1.00 0.00 C ATOM 1097 CD1 TRP A 66 -22.573 18.253 5.888 1.00 0.00 C ATOM 1098 CD2 TRP A 66 -23.117 16.809 4.267 1.00 0.00 C ATOM 1099 NE1 TRP A 66 -23.944 18.225 5.795 1.00 0.00 N ATOM 1100 CE2 TRP A 66 -24.303 17.346 4.806 1.00 0.00 C ATOM 1101 CE3 TRP A 66 -23.213 15.877 3.229 1.00 0.00 C ATOM 1102 CZ2 TRP A 66 -25.564 16.981 4.343 1.00 0.00 C ATOM 1103 CZ3 TRP A 66 -24.465 15.515 2.770 1.00 0.00 C ATOM 1104 CH2 TRP A 66 -25.626 16.067 3.326 1.00 0.00 C ATOM 0 H TRP A 66 -18.202 17.374 5.434 1.00 0.00 H new ATOM 0 HA TRP A 66 -20.500 16.372 6.760 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -20.034 18.093 4.713 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -20.431 16.662 3.782 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -22.013 18.860 6.584 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -24.589 18.769 6.368 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -22.323 15.447 2.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -26.461 17.404 4.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -24.550 14.795 1.970 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -26.590 15.765 2.944 1.00 0.00 H new ATOM 1115 N ALA A 67 -19.127 14.430 4.466 1.00 0.00 N ATOM 1116 CA ALA A 67 -19.076 13.061 3.967 1.00 0.00 C ATOM 1117 C ALA A 67 -18.730 12.076 5.080 1.00 0.00 C ATOM 1118 O ALA A 67 -19.369 11.034 5.220 1.00 0.00 O ATOM 1119 CB ALA A 67 -18.070 12.951 2.832 1.00 0.00 C ATOM 0 H ALA A 67 -18.456 15.062 4.030 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.066 12.804 3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -18.042 11.924 2.469 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.364 13.615 2.019 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.082 13.235 3.193 1.00 0.00 H new ATOM 1125 N LEU A 68 -17.713 12.411 5.867 1.00 0.00 N ATOM 1126 CA LEU A 68 -17.278 11.553 6.963 1.00 0.00 C ATOM 1127 C LEU A 68 -18.371 11.414 8.020 1.00 0.00 C ATOM 1128 O LEU A 68 -18.659 10.312 8.487 1.00 0.00 O ATOM 1129 CB LEU A 68 -16.005 12.110 7.601 1.00 0.00 C ATOM 1130 CG LEU A 68 -14.701 11.677 6.927 1.00 0.00 C ATOM 1131 CD1 LEU A 68 -13.541 12.532 7.409 1.00 0.00 C ATOM 1132 CD2 LEU A 68 -14.428 10.204 7.195 1.00 0.00 C ATOM 0 H LEU A 68 -17.174 13.271 5.766 1.00 0.00 H new ATOM 0 HA LEU A 68 -17.070 10.565 6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -16.058 13.199 7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -15.976 11.802 8.646 1.00 0.00 H new ATOM 0 HG LEU A 68 -14.806 11.818 5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.623 12.209 6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.734 13.577 7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.433 12.424 8.488 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.497 9.912 6.709 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.343 10.039 8.269 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.248 9.604 6.799 1.00 0.00 H new ATOM 1144 N LYS A 69 -18.973 12.538 8.396 1.00 0.00 N ATOM 1145 CA LYS A 69 -20.030 12.537 9.401 1.00 0.00 C ATOM 1146 C LYS A 69 -21.253 11.765 8.915 1.00 0.00 C ATOM 1147 O LYS A 69 -21.792 10.923 9.631 1.00 0.00 O ATOM 1148 CB LYS A 69 -20.427 13.972 9.754 1.00 0.00 C ATOM 1149 CG LYS A 69 -21.499 14.059 10.830 1.00 0.00 C ATOM 1150 CD LYS A 69 -22.823 14.550 10.266 1.00 0.00 C ATOM 1151 CE LYS A 69 -23.981 13.667 10.705 1.00 0.00 C ATOM 1152 NZ LYS A 69 -25.164 13.817 9.815 1.00 0.00 N ATOM 0 H LYS A 69 -18.747 13.459 8.021 1.00 0.00 H new ATOM 0 HA LYS A 69 -19.644 12.041 10.292 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -19.542 14.513 10.090 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -20.785 14.473 8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -21.638 13.078 11.285 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -21.168 14.733 11.620 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -23.001 15.574 10.594 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -22.771 14.568 9.177 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -23.661 12.625 10.710 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -24.262 13.919 11.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -25.942 13.224 10.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -25.465 14.812 9.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -24.913 13.519 8.851 1.00 0.00 H new ATOM 1166 N VAL A 70 -21.687 12.057 7.694 1.00 0.00 N ATOM 1167 CA VAL A 70 -22.846 11.387 7.115 1.00 0.00 C ATOM 1168 C VAL A 70 -22.547 9.919 6.830 1.00 0.00 C ATOM 1169 O VAL A 70 -23.402 9.056 7.022 1.00 0.00 O ATOM 1170 CB VAL A 70 -23.305 12.072 5.814 1.00 0.00 C ATOM 1171 CG1 VAL A 70 -24.591 11.441 5.299 1.00 0.00 C ATOM 1172 CG2 VAL A 70 -23.489 13.567 6.031 1.00 0.00 C ATOM 0 H VAL A 70 -21.254 12.753 7.086 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.648 11.455 7.850 1.00 0.00 H new ATOM 0 HB VAL A 70 -22.530 11.929 5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -24.898 11.939 4.380 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.422 10.383 5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -25.375 11.548 6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -23.813 14.033 5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -24.242 13.733 6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -22.544 14.008 6.347 1.00 0.00 H new ATOM 1182 N ALA A 71 -21.332 9.641 6.370 1.00 0.00 N ATOM 1183 CA ALA A 71 -20.929 8.274 6.061 1.00 0.00 C ATOM 1184 C ALA A 71 -21.129 7.366 7.268 1.00 0.00 C ATOM 1185 O ALA A 71 -21.682 6.273 7.152 1.00 0.00 O ATOM 1186 CB ALA A 71 -19.477 8.239 5.609 1.00 0.00 C ATOM 0 H ALA A 71 -20.610 10.342 6.203 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.557 7.908 5.249 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.191 7.212 5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.359 8.854 4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.839 8.626 6.404 1.00 0.00 H new ATOM 1192 N GLU A 72 -20.685 7.836 8.428 1.00 0.00 N ATOM 1193 CA GLU A 72 -20.827 7.076 9.661 1.00 0.00 C ATOM 1194 C GLU A 72 -22.289 7.021 10.091 1.00 0.00 C ATOM 1195 O GLU A 72 -22.760 6.009 10.604 1.00 0.00 O ATOM 1196 CB GLU A 72 -19.975 7.694 10.772 1.00 0.00 C ATOM 1197 CG GLU A 72 -20.321 9.144 11.072 1.00 0.00 C ATOM 1198 CD GLU A 72 -19.664 9.649 12.341 1.00 0.00 C ATOM 1199 OE1 GLU A 72 -18.489 9.301 12.581 1.00 0.00 O ATOM 1200 OE2 GLU A 72 -20.326 10.394 13.095 1.00 0.00 O ATOM 0 H GLU A 72 -20.224 8.739 8.539 1.00 0.00 H new ATOM 0 HA GLU A 72 -20.479 6.059 9.477 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -20.096 7.105 11.681 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -18.924 7.631 10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.012 9.768 10.234 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -21.403 9.244 11.162 1.00 0.00 H new ATOM 1207 N ASN A 73 -23.002 8.122 9.880 1.00 0.00 N ATOM 1208 CA ASN A 73 -24.409 8.200 10.254 1.00 0.00 C ATOM 1209 C ASN A 73 -25.271 7.305 9.365 1.00 0.00 C ATOM 1210 O ASN A 73 -26.190 6.640 9.842 1.00 0.00 O ATOM 1211 CB ASN A 73 -24.900 9.646 10.166 1.00 0.00 C ATOM 1212 CG ASN A 73 -25.950 9.964 11.211 1.00 0.00 C ATOM 1213 OD1 ASN A 73 -27.087 10.303 10.883 1.00 0.00 O ATOM 1214 ND2 ASN A 73 -25.574 9.857 12.480 1.00 0.00 N ATOM 0 H ASN A 73 -22.630 8.970 9.453 1.00 0.00 H new ATOM 0 HA ASN A 73 -24.501 7.849 11.282 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.054 10.322 10.288 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -25.313 9.827 9.173 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -26.238 10.059 13.227 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -24.621 9.573 12.707 1.00 0.00 H new ATOM 1221 N GLU A 74 -24.973 7.302 8.070 1.00 0.00 N ATOM 1222 CA GLU A 74 -25.725 6.500 7.111 1.00 0.00 C ATOM 1223 C GLU A 74 -25.268 5.041 7.102 1.00 0.00 C ATOM 1224 O GLU A 74 -26.089 4.127 7.029 1.00 0.00 O ATOM 1225 CB GLU A 74 -25.591 7.097 5.708 1.00 0.00 C ATOM 1226 CG GLU A 74 -26.809 7.890 5.265 1.00 0.00 C ATOM 1227 CD GLU A 74 -26.953 9.201 6.013 1.00 0.00 C ATOM 1228 OE1 GLU A 74 -26.722 9.213 7.241 1.00 0.00 O ATOM 1229 OE2 GLU A 74 -27.296 10.217 5.372 1.00 0.00 O ATOM 0 H GLU A 74 -24.215 7.847 7.660 1.00 0.00 H new ATOM 0 HA GLU A 74 -26.771 6.517 7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.716 7.746 5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -25.413 6.292 4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -26.738 8.091 4.196 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -27.705 7.288 5.417 1.00 0.00 H new ATOM 1236 N LEU A 75 -23.956 4.829 7.150 1.00 0.00 N ATOM 1237 CA LEU A 75 -23.401 3.478 7.119 1.00 0.00 C ATOM 1238 C LEU A 75 -23.030 2.980 8.516 1.00 0.00 C ATOM 1239 O LEU A 75 -23.456 1.901 8.930 1.00 0.00 O ATOM 1240 CB LEU A 75 -22.172 3.436 6.207 1.00 0.00 C ATOM 1241 CG LEU A 75 -22.318 2.556 4.964 1.00 0.00 C ATOM 1242 CD1 LEU A 75 -23.161 3.257 3.909 1.00 0.00 C ATOM 1243 CD2 LEU A 75 -20.952 2.192 4.403 1.00 0.00 C ATOM 0 H LEU A 75 -23.259 5.571 7.210 1.00 0.00 H new ATOM 0 HA LEU A 75 -24.172 2.816 6.726 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -21.940 4.452 5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.320 3.081 6.787 1.00 0.00 H new ATOM 0 HG LEU A 75 -22.826 1.636 5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -23.254 2.616 3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -24.152 3.464 4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.682 4.194 3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -21.077 1.566 3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.416 3.101 4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -20.383 1.647 5.156 1.00 0.00 H new ATOM 1255 N GLY A 76 -22.228 3.760 9.231 1.00 0.00 N ATOM 1256 CA GLY A 76 -21.812 3.365 10.567 1.00 0.00 C ATOM 1257 C GLY A 76 -20.338 3.014 10.630 1.00 0.00 C ATOM 1258 O GLY A 76 -19.915 2.239 11.488 1.00 0.00 O ATOM 0 H GLY A 76 -21.859 4.656 8.913 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -22.020 4.176 11.265 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.402 2.507 10.890 1.00 0.00 H new ATOM 1262 N ILE A 77 -19.555 3.586 9.723 1.00 0.00 N ATOM 1263 CA ILE A 77 -18.121 3.329 9.680 1.00 0.00 C ATOM 1264 C ILE A 77 -17.375 4.207 10.679 1.00 0.00 C ATOM 1265 O ILE A 77 -17.581 5.421 10.727 1.00 0.00 O ATOM 1266 CB ILE A 77 -17.546 3.574 8.272 1.00 0.00 C ATOM 1267 CG1 ILE A 77 -18.409 2.877 7.216 1.00 0.00 C ATOM 1268 CG2 ILE A 77 -16.107 3.087 8.193 1.00 0.00 C ATOM 1269 CD1 ILE A 77 -18.539 1.385 7.433 1.00 0.00 C ATOM 0 H ILE A 77 -19.889 4.231 9.007 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.981 2.281 9.944 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.557 4.646 8.074 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -19.403 3.324 7.217 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -17.980 3.057 6.230 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -15.716 3.268 7.192 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.500 3.625 8.922 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -16.072 2.019 8.409 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.163 0.956 6.649 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -17.551 0.925 7.402 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.997 1.197 8.404 1.00 0.00 H new ATOM 1281 N THR A 78 -16.513 3.587 11.477 1.00 0.00 N ATOM 1282 CA THR A 78 -15.741 4.313 12.478 1.00 0.00 C ATOM 1283 C THR A 78 -14.625 5.124 11.819 1.00 0.00 C ATOM 1284 O THR A 78 -13.704 4.558 11.231 1.00 0.00 O ATOM 1285 CB THR A 78 -15.146 3.338 13.495 1.00 0.00 C ATOM 1286 OG1 THR A 78 -16.146 2.472 14.001 1.00 0.00 O ATOM 1287 CG2 THR A 78 -14.496 4.028 14.674 1.00 0.00 C ATOM 0 H THR A 78 -16.331 2.584 11.450 1.00 0.00 H new ATOM 0 HA THR A 78 -16.411 5.001 12.993 1.00 0.00 H new ATOM 0 HB THR A 78 -14.380 2.783 12.952 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.747 1.854 14.649 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.094 3.280 15.357 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.688 4.668 14.321 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.237 4.634 15.195 1.00 0.00 H new ATOM 1295 N PRO A 79 -14.690 6.466 11.907 1.00 0.00 N ATOM 1296 CA PRO A 79 -13.677 7.346 11.313 1.00 0.00 C ATOM 1297 C PRO A 79 -12.278 7.063 11.851 1.00 0.00 C ATOM 1298 O PRO A 79 -12.116 6.647 12.998 1.00 0.00 O ATOM 1299 CB PRO A 79 -14.129 8.753 11.722 1.00 0.00 C ATOM 1300 CG PRO A 79 -15.579 8.617 12.033 1.00 0.00 C ATOM 1301 CD PRO A 79 -15.751 7.232 12.586 1.00 0.00 C ATOM 0 HA PRO A 79 -13.605 7.207 10.234 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.572 9.110 12.588 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.963 9.470 10.918 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.896 9.369 12.756 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.186 8.759 11.139 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.632 7.213 13.669 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.741 6.831 12.367 1.00 0.00 H new ATOM 1309 N VAL A 80 -11.272 7.291 11.014 1.00 0.00 N ATOM 1310 CA VAL A 80 -9.886 7.062 11.406 1.00 0.00 C ATOM 1311 C VAL A 80 -8.964 8.140 10.840 1.00 0.00 C ATOM 1312 O VAL A 80 -7.747 7.963 10.787 1.00 0.00 O ATOM 1313 CB VAL A 80 -9.391 5.681 10.935 1.00 0.00 C ATOM 1314 CG1 VAL A 80 -8.044 5.353 11.561 1.00 0.00 C ATOM 1315 CG2 VAL A 80 -10.416 4.605 11.263 1.00 0.00 C ATOM 0 H VAL A 80 -11.390 7.634 10.061 1.00 0.00 H new ATOM 0 HA VAL A 80 -9.857 7.101 12.495 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.264 5.712 9.853 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.711 4.374 11.216 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.314 6.108 11.269 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.140 5.342 12.647 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.049 3.637 10.923 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.578 4.573 12.340 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.356 4.833 10.761 1.00 0.00 H new ATOM 1325 N VAL A 81 -9.549 9.259 10.418 1.00 0.00 N ATOM 1326 CA VAL A 81 -8.776 10.360 9.858 1.00 0.00 C ATOM 1327 C VAL A 81 -9.450 11.699 10.135 1.00 0.00 C ATOM 1328 O VAL A 81 -10.645 11.756 10.425 1.00 0.00 O ATOM 1329 CB VAL A 81 -8.587 10.199 8.339 1.00 0.00 C ATOM 1330 CG1 VAL A 81 -7.636 9.051 8.037 1.00 0.00 C ATOM 1331 CG2 VAL A 81 -9.927 9.987 7.653 1.00 0.00 C ATOM 0 H VAL A 81 -10.555 9.425 10.454 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.799 10.339 10.342 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.147 11.116 7.947 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.515 8.953 6.958 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.667 9.251 8.494 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.044 8.125 8.442 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.773 9.875 6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.399 9.087 8.047 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -10.571 10.846 7.839 1.00 0.00 H new ATOM 1341 N SER A 82 -8.678 12.777 10.043 1.00 0.00 N ATOM 1342 CA SER A 82 -9.203 14.117 10.283 1.00 0.00 C ATOM 1343 C SER A 82 -9.211 14.934 8.995 1.00 0.00 C ATOM 1344 O SER A 82 -8.381 14.724 8.111 1.00 0.00 O ATOM 1345 CB SER A 82 -8.369 14.832 11.347 1.00 0.00 C ATOM 1346 OG SER A 82 -8.785 16.176 11.505 1.00 0.00 O ATOM 0 H SER A 82 -7.687 12.749 9.804 1.00 0.00 H new ATOM 0 HA SER A 82 -10.228 14.020 10.640 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.459 14.306 12.298 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.316 14.805 11.067 1.00 0.00 H new ATOM 0 HG SER A 82 -8.237 16.610 12.192 1.00 0.00 H new ATOM 1352 N ALA A 83 -10.155 15.864 8.894 1.00 0.00 N ATOM 1353 CA ALA A 83 -10.271 16.709 7.713 1.00 0.00 C ATOM 1354 C ALA A 83 -8.998 17.517 7.487 1.00 0.00 C ATOM 1355 O ALA A 83 -8.515 17.634 6.361 1.00 0.00 O ATOM 1356 CB ALA A 83 -11.469 17.636 7.844 1.00 0.00 C ATOM 0 H ALA A 83 -10.850 16.051 9.616 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.417 16.062 6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.544 18.262 6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.378 17.043 7.948 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.345 18.268 8.723 1.00 0.00 H new ATOM 1362 N GLN A 84 -8.457 18.074 8.567 1.00 0.00 N ATOM 1363 CA GLN A 84 -7.238 18.873 8.490 1.00 0.00 C ATOM 1364 C GLN A 84 -6.099 18.077 7.858 1.00 0.00 C ATOM 1365 O GLN A 84 -5.374 18.585 7.002 1.00 0.00 O ATOM 1366 CB GLN A 84 -6.829 19.353 9.883 1.00 0.00 C ATOM 1367 CG GLN A 84 -7.908 20.157 10.591 1.00 0.00 C ATOM 1368 CD GLN A 84 -8.647 19.344 11.636 1.00 0.00 C ATOM 1369 OE1 GLN A 84 -9.715 18.792 11.370 1.00 0.00 O ATOM 1370 NE2 GLN A 84 -8.082 19.271 12.835 1.00 0.00 N ATOM 0 H GLN A 84 -8.844 17.987 9.507 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.443 19.738 7.860 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.571 18.489 10.495 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.930 19.963 9.798 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.455 21.027 11.066 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -8.620 20.530 9.855 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.196 19.744 13.011 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.534 18.741 13.580 1.00 0.00 H new ATOM 1379 N ALA A 85 -5.948 16.829 8.288 1.00 0.00 N ATOM 1380 CA ALA A 85 -4.897 15.964 7.767 1.00 0.00 C ATOM 1381 C ALA A 85 -5.159 15.596 6.309 1.00 0.00 C ATOM 1382 O ALA A 85 -4.233 15.520 5.502 1.00 0.00 O ATOM 1383 CB ALA A 85 -4.776 14.709 8.618 1.00 0.00 C ATOM 0 H ALA A 85 -6.540 16.394 8.996 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.955 16.511 7.811 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.987 14.072 8.217 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.532 14.987 9.643 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.722 14.167 8.604 1.00 0.00 H new ATOM 1389 N VAL A 86 -6.426 15.367 5.980 1.00 0.00 N ATOM 1390 CA VAL A 86 -6.809 15.005 4.622 1.00 0.00 C ATOM 1391 C VAL A 86 -6.566 16.160 3.654 1.00 0.00 C ATOM 1392 O VAL A 86 -5.934 15.985 2.611 1.00 0.00 O ATOM 1393 CB VAL A 86 -8.292 14.592 4.547 1.00 0.00 C ATOM 1394 CG1 VAL A 86 -8.631 14.063 3.161 1.00 0.00 C ATOM 1395 CG2 VAL A 86 -8.613 13.555 5.614 1.00 0.00 C ATOM 0 H VAL A 86 -7.205 15.426 6.636 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.188 14.157 4.335 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.905 15.474 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.682 13.777 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.443 14.839 2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.011 13.194 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.664 13.276 5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.992 12.672 5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.412 13.974 6.600 1.00 0.00 H new ATOM 1405 N VAL A 87 -7.073 17.337 4.004 1.00 0.00 N ATOM 1406 CA VAL A 87 -6.911 18.518 3.164 1.00 0.00 C ATOM 1407 C VAL A 87 -5.441 18.894 3.019 1.00 0.00 C ATOM 1408 O VAL A 87 -5.026 19.430 1.991 1.00 0.00 O ATOM 1409 CB VAL A 87 -7.684 19.722 3.734 1.00 0.00 C ATOM 1410 CG1 VAL A 87 -7.641 20.894 2.765 1.00 0.00 C ATOM 1411 CG2 VAL A 87 -9.122 19.335 4.051 1.00 0.00 C ATOM 0 H VAL A 87 -7.599 17.499 4.863 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.316 18.266 2.184 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.203 20.030 4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.193 21.735 3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.605 21.188 2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.094 20.600 1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.651 20.199 4.453 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.617 18.997 3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.129 18.531 4.787 1.00 0.00 H new ATOM 1421 N ALA A 88 -4.656 18.612 4.054 1.00 0.00 N ATOM 1422 CA ALA A 88 -3.232 18.923 4.040 1.00 0.00 C ATOM 1423 C ALA A 88 -2.422 17.815 3.372 1.00 0.00 C ATOM 1424 O ALA A 88 -1.250 18.004 3.045 1.00 0.00 O ATOM 1425 CB ALA A 88 -2.732 19.161 5.458 1.00 0.00 C ATOM 0 H ALA A 88 -4.982 18.169 4.913 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.095 19.833 3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.667 19.392 5.434 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.275 19.996 5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.895 18.265 6.057 1.00 0.00 H new ATOM 1431 N GLY A 89 -3.048 16.658 3.169 1.00 0.00 N ATOM 1432 CA GLY A 89 -2.361 15.545 2.541 1.00 0.00 C ATOM 1433 C GLY A 89 -1.116 15.129 3.297 1.00 0.00 C ATOM 1434 O GLY A 89 -0.138 14.676 2.699 1.00 0.00 O ATOM 0 H GLY A 89 -4.017 16.473 3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.041 14.696 2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.088 15.819 1.522 1.00 0.00 H new ATOM 1438 N SER A 90 -1.147 15.283 4.617 1.00 0.00 N ATOM 1439 CA SER A 90 -0.011 14.920 5.457 1.00 0.00 C ATOM 1440 C SER A 90 -0.365 13.756 6.378 1.00 0.00 C ATOM 1441 O SER A 90 0.006 13.744 7.553 1.00 0.00 O ATOM 1442 CB SER A 90 0.440 16.124 6.287 1.00 0.00 C ATOM 1443 OG SER A 90 1.852 16.167 6.399 1.00 0.00 O ATOM 0 H SER A 90 -1.947 15.657 5.128 1.00 0.00 H new ATOM 0 HA SER A 90 0.806 14.609 4.806 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.081 17.043 5.825 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.005 16.072 7.281 1.00 0.00 H new ATOM 0 HG SER A 90 2.114 16.946 6.932 1.00 0.00 H new ATOM 1449 N ASP A 91 -1.082 12.777 5.837 1.00 0.00 N ATOM 1450 CA ASP A 91 -1.484 11.607 6.609 1.00 0.00 C ATOM 1451 C ASP A 91 -1.667 10.390 5.701 1.00 0.00 C ATOM 1452 O ASP A 91 -2.762 9.837 5.599 1.00 0.00 O ATOM 1453 CB ASP A 91 -2.781 11.894 7.369 1.00 0.00 C ATOM 1454 CG ASP A 91 -2.838 11.182 8.706 1.00 0.00 C ATOM 1455 OD1 ASP A 91 -2.191 11.660 9.661 1.00 0.00 O ATOM 1456 OD2 ASP A 91 -3.529 10.146 8.797 1.00 0.00 O ATOM 0 H ASP A 91 -1.397 12.770 4.867 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.693 11.385 7.326 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.875 12.968 7.528 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.631 11.586 6.760 1.00 0.00 H new ATOM 1461 N PRO A 92 -0.588 9.956 5.028 1.00 0.00 N ATOM 1462 CA PRO A 92 -0.631 8.799 4.126 1.00 0.00 C ATOM 1463 C PRO A 92 -1.000 7.511 4.857 1.00 0.00 C ATOM 1464 O PRO A 92 -1.797 6.713 4.364 1.00 0.00 O ATOM 1465 CB PRO A 92 0.796 8.712 3.572 1.00 0.00 C ATOM 1466 CG PRO A 92 1.636 9.467 4.545 1.00 0.00 C ATOM 1467 CD PRO A 92 0.756 10.553 5.092 1.00 0.00 C ATOM 0 HA PRO A 92 -1.390 8.918 3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.124 7.676 3.488 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.859 9.148 2.575 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.992 8.815 5.342 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.517 9.886 4.058 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.031 10.819 6.113 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.822 11.464 4.496 1.00 0.00 H new ATOM 1475 N LEU A 93 -0.415 7.319 6.035 1.00 0.00 N ATOM 1476 CA LEU A 93 -0.683 6.129 6.835 1.00 0.00 C ATOM 1477 C LEU A 93 -2.168 6.016 7.160 1.00 0.00 C ATOM 1478 O LEU A 93 -2.740 4.926 7.129 1.00 0.00 O ATOM 1479 CB LEU A 93 0.133 6.164 8.128 1.00 0.00 C ATOM 1480 CG LEU A 93 1.549 5.593 8.017 1.00 0.00 C ATOM 1481 CD1 LEU A 93 2.360 5.935 9.257 1.00 0.00 C ATOM 1482 CD2 LEU A 93 1.500 4.088 7.807 1.00 0.00 C ATOM 0 H LEU A 93 0.247 7.971 6.456 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.390 5.256 6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.200 7.197 8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.407 5.609 8.895 1.00 0.00 H new ATOM 0 HG LEU A 93 2.037 6.044 7.153 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.364 5.521 9.161 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.423 7.018 9.364 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.876 5.511 10.137 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.515 3.698 7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.994 3.619 8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.956 3.866 6.889 1.00 0.00 H new ATOM 1494 N GLY A 94 -2.788 7.151 7.469 1.00 0.00 N ATOM 1495 CA GLY A 94 -4.202 7.157 7.794 1.00 0.00 C ATOM 1496 C GLY A 94 -5.069 6.808 6.602 1.00 0.00 C ATOM 1497 O GLY A 94 -6.084 6.124 6.743 1.00 0.00 O ATOM 0 H GLY A 94 -2.337 8.065 7.500 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.390 6.445 8.598 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.482 8.142 8.168 1.00 0.00 H new ATOM 1501 N LEU A 95 -4.671 7.278 5.424 1.00 0.00 N ATOM 1502 CA LEU A 95 -5.422 7.011 4.202 1.00 0.00 C ATOM 1503 C LEU A 95 -5.495 5.512 3.928 1.00 0.00 C ATOM 1504 O LEU A 95 -6.542 4.994 3.542 1.00 0.00 O ATOM 1505 CB LEU A 95 -4.777 7.730 3.014 1.00 0.00 C ATOM 1506 CG LEU A 95 -5.384 9.094 2.679 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -4.967 10.131 3.712 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -4.968 9.532 1.282 1.00 0.00 C ATOM 0 H LEU A 95 -3.834 7.845 5.290 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.436 7.388 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.715 7.862 3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.853 7.089 2.136 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.470 9.005 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.408 11.095 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.314 9.822 4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.881 10.220 3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.408 10.504 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.882 9.606 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.316 8.800 0.553 1.00 0.00 H new ATOM 1520 N ILE A 96 -4.378 4.821 4.128 1.00 0.00 N ATOM 1521 CA ILE A 96 -4.321 3.382 3.904 1.00 0.00 C ATOM 1522 C ILE A 96 -5.190 2.636 4.910 1.00 0.00 C ATOM 1523 O ILE A 96 -5.928 1.718 4.549 1.00 0.00 O ATOM 1524 CB ILE A 96 -2.876 2.852 3.997 1.00 0.00 C ATOM 1525 CG1 ILE A 96 -1.949 3.670 3.094 1.00 0.00 C ATOM 1526 CG2 ILE A 96 -2.822 1.378 3.621 1.00 0.00 C ATOM 1527 CD1 ILE A 96 -2.302 3.577 1.625 1.00 0.00 C ATOM 0 H ILE A 96 -3.501 5.234 4.445 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.699 3.204 2.897 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.536 2.956 5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.983 4.715 3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.923 3.329 3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.794 1.022 3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.453 0.806 4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.180 1.250 2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.605 4.181 1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.240 2.538 1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.316 3.945 1.470 1.00 0.00 H new ATOM 1539 N ALA A 97 -5.099 3.037 6.175 1.00 0.00 N ATOM 1540 CA ALA A 97 -5.879 2.408 7.233 1.00 0.00 C ATOM 1541 C ALA A 97 -7.369 2.664 7.041 1.00 0.00 C ATOM 1542 O ALA A 97 -8.196 1.778 7.264 1.00 0.00 O ATOM 1543 CB ALA A 97 -5.424 2.914 8.595 1.00 0.00 C ATOM 0 H ALA A 97 -4.493 3.794 6.491 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.713 1.332 7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.015 2.436 9.377 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.370 2.674 8.739 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.561 3.994 8.646 1.00 0.00 H new ATOM 1549 N TYR A 98 -7.706 3.881 6.628 1.00 0.00 N ATOM 1550 CA TYR A 98 -9.098 4.255 6.404 1.00 0.00 C ATOM 1551 C TYR A 98 -9.669 3.522 5.196 1.00 0.00 C ATOM 1552 O TYR A 98 -10.762 2.960 5.259 1.00 0.00 O ATOM 1553 CB TYR A 98 -9.215 5.767 6.202 1.00 0.00 C ATOM 1554 CG TYR A 98 -10.643 6.264 6.169 1.00 0.00 C ATOM 1555 CD1 TYR A 98 -11.364 6.287 4.983 1.00 0.00 C ATOM 1556 CD2 TYR A 98 -11.268 6.712 7.326 1.00 0.00 C ATOM 1557 CE1 TYR A 98 -12.668 6.742 4.950 1.00 0.00 C ATOM 1558 CE2 TYR A 98 -12.573 7.168 7.301 1.00 0.00 C ATOM 1559 CZ TYR A 98 -13.267 7.181 6.112 1.00 0.00 C ATOM 1560 OH TYR A 98 -14.566 7.634 6.082 1.00 0.00 O ATOM 0 H TYR A 98 -7.034 4.626 6.441 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.673 3.968 7.285 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.681 6.275 7.005 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -8.722 6.040 5.269 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.898 5.944 4.071 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.726 6.704 8.260 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -13.215 6.754 4.019 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -13.045 7.512 8.209 1.00 0.00 H new ATOM 0 HH TYR A 98 -15.141 6.951 5.678 1.00 0.00 H new ATOM 1570 N LEU A 99 -8.923 3.532 4.096 1.00 0.00 N ATOM 1571 CA LEU A 99 -9.357 2.868 2.872 1.00 0.00 C ATOM 1572 C LEU A 99 -9.568 1.375 3.110 1.00 0.00 C ATOM 1573 O LEU A 99 -10.455 0.761 2.517 1.00 0.00 O ATOM 1574 CB LEU A 99 -8.328 3.081 1.759 1.00 0.00 C ATOM 1575 CG LEU A 99 -8.664 4.199 0.771 1.00 0.00 C ATOM 1576 CD1 LEU A 99 -9.984 3.914 0.069 1.00 0.00 C ATOM 1577 CD2 LEU A 99 -8.710 5.545 1.484 1.00 0.00 C ATOM 0 H LEU A 99 -8.015 3.992 4.027 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.307 3.306 2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.362 3.298 2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.217 2.149 1.205 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.879 4.240 0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -10.206 4.720 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.911 2.972 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -10.782 3.845 0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.950 6.329 0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.473 5.519 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.739 5.751 1.935 1.00 0.00 H new ATOM 1589 N SER A 100 -8.749 0.800 3.984 1.00 0.00 N ATOM 1590 CA SER A 100 -8.847 -0.620 4.304 1.00 0.00 C ATOM 1591 C SER A 100 -10.191 -0.939 4.949 1.00 0.00 C ATOM 1592 O SER A 100 -10.774 -1.996 4.704 1.00 0.00 O ATOM 1593 CB SER A 100 -7.708 -1.035 5.236 1.00 0.00 C ATOM 1594 OG SER A 100 -7.634 -2.444 5.355 1.00 0.00 O ATOM 0 H SER A 100 -8.010 1.295 4.483 1.00 0.00 H new ATOM 0 HA SER A 100 -8.767 -1.183 3.374 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.763 -0.649 4.854 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.859 -0.591 6.220 1.00 0.00 H new ATOM 0 HG SER A 100 -6.897 -2.683 5.955 1.00 0.00 H new ATOM 1600 N HIS A 101 -10.679 -0.017 5.774 1.00 0.00 N ATOM 1601 CA HIS A 101 -11.955 -0.200 6.455 1.00 0.00 C ATOM 1602 C HIS A 101 -13.118 0.001 5.488 1.00 0.00 C ATOM 1603 O HIS A 101 -14.116 -0.719 5.543 1.00 0.00 O ATOM 1604 CB HIS A 101 -12.074 0.774 7.629 1.00 0.00 C ATOM 1605 CG HIS A 101 -12.605 0.141 8.878 1.00 0.00 C ATOM 1606 ND1 HIS A 101 -12.327 -1.160 9.240 1.00 0.00 N ATOM 1607 CD2 HIS A 101 -13.403 0.637 9.853 1.00 0.00 C ATOM 1608 CE1 HIS A 101 -12.931 -1.437 10.382 1.00 0.00 C ATOM 1609 NE2 HIS A 101 -13.589 -0.363 10.775 1.00 0.00 N ATOM 0 H HIS A 101 -10.210 0.863 5.986 1.00 0.00 H new ATOM 0 HA HIS A 101 -11.995 -1.220 6.836 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.093 1.202 7.837 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -12.727 1.598 7.343 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -13.816 1.634 9.897 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -12.893 -2.381 10.905 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.146 -0.288 11.626 1.00 0.00 H new ATOM 1618 N PHE A 102 -12.983 0.984 4.604 1.00 0.00 N ATOM 1619 CA PHE A 102 -14.023 1.278 3.625 1.00 0.00 C ATOM 1620 C PHE A 102 -14.153 0.141 2.616 1.00 0.00 C ATOM 1621 O PHE A 102 -15.260 -0.266 2.264 1.00 0.00 O ATOM 1622 CB PHE A 102 -13.713 2.591 2.899 1.00 0.00 C ATOM 1623 CG PHE A 102 -14.737 3.665 3.138 1.00 0.00 C ATOM 1624 CD1 PHE A 102 -15.129 3.994 4.426 1.00 0.00 C ATOM 1625 CD2 PHE A 102 -15.307 4.346 2.074 1.00 0.00 C ATOM 1626 CE1 PHE A 102 -16.071 4.982 4.647 1.00 0.00 C ATOM 1627 CE2 PHE A 102 -16.248 5.333 2.289 1.00 0.00 C ATOM 1628 CZ PHE A 102 -16.630 5.652 3.578 1.00 0.00 C ATOM 0 H PHE A 102 -12.165 1.590 4.545 1.00 0.00 H new ATOM 0 HA PHE A 102 -14.970 1.380 4.154 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.737 2.953 3.221 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -13.644 2.397 1.829 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -14.694 3.473 5.266 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -15.011 4.102 1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -16.369 5.229 5.655 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -16.685 5.855 1.451 1.00 0.00 H new ATOM 0 HZ PHE A 102 -17.365 6.425 3.749 1.00 0.00 H new ATOM 1638 N HIS A 103 -13.015 -0.366 2.154 1.00 0.00 N ATOM 1639 CA HIS A 103 -13.000 -1.457 1.186 1.00 0.00 C ATOM 1640 C HIS A 103 -13.677 -2.697 1.756 1.00 0.00 C ATOM 1641 O HIS A 103 -14.523 -3.311 1.102 1.00 0.00 O ATOM 1642 CB HIS A 103 -11.562 -1.786 0.779 1.00 0.00 C ATOM 1643 CG HIS A 103 -11.466 -2.584 -0.483 1.00 0.00 C ATOM 1644 ND1 HIS A 103 -12.226 -3.605 -0.947 1.00 0.00 N flip ATOM 1645 CD2 HIS A 103 -10.494 -2.368 -1.438 1.00 0.00 C flip ATOM 1646 CE1 HIS A 103 -11.705 -3.982 -2.160 1.00 0.00 C flip ATOM 1647 NE2 HIS A 103 -10.662 -3.221 -2.434 1.00 0.00 N flip ATOM 0 H HIS A 103 -12.091 -0.039 2.434 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.554 -1.136 0.304 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.006 -0.856 0.655 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -11.082 -2.339 1.586 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -13.035 -4.017 -0.482 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.718 -1.619 -1.381 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -12.087 -4.773 -2.788 1.00 0.00 H new ATOM 1656 N SER A 104 -13.303 -3.064 2.977 1.00 0.00 N ATOM 1657 CA SER A 104 -13.874 -4.234 3.636 1.00 0.00 C ATOM 1658 C SER A 104 -15.390 -4.107 3.749 1.00 0.00 C ATOM 1659 O SER A 104 -16.124 -5.064 3.497 1.00 0.00 O ATOM 1660 CB SER A 104 -13.259 -4.414 5.024 1.00 0.00 C ATOM 1661 OG SER A 104 -12.042 -5.137 4.954 1.00 0.00 O ATOM 0 H SER A 104 -12.606 -2.567 3.532 1.00 0.00 H new ATOM 0 HA SER A 104 -13.645 -5.111 3.030 1.00 0.00 H new ATOM 0 HB2 SER A 104 -13.080 -3.438 5.475 1.00 0.00 H new ATOM 0 HB3 SER A 104 -13.961 -4.940 5.671 1.00 0.00 H new ATOM 0 HG SER A 104 -11.669 -5.237 5.855 1.00 0.00 H new ATOM 1667 N ALA A 105 -15.852 -2.921 4.131 1.00 0.00 N ATOM 1668 CA ALA A 105 -17.281 -2.669 4.275 1.00 0.00 C ATOM 1669 C ALA A 105 -17.970 -2.628 2.918 1.00 0.00 C ATOM 1670 O ALA A 105 -19.099 -3.095 2.767 1.00 0.00 O ATOM 1671 CB ALA A 105 -17.512 -1.367 5.028 1.00 0.00 C ATOM 0 H ALA A 105 -15.258 -2.120 4.346 1.00 0.00 H new ATOM 0 HA ALA A 105 -17.715 -3.489 4.847 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -18.583 -1.190 5.129 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -17.060 -1.434 6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -17.058 -0.543 4.477 1.00 0.00 H new ATOM 1677 N PHE A 106 -17.283 -2.065 1.928 1.00 0.00 N ATOM 1678 CA PHE A 106 -17.827 -1.963 0.580 1.00 0.00 C ATOM 1679 C PHE A 106 -18.005 -3.344 -0.044 1.00 0.00 C ATOM 1680 O PHE A 106 -18.870 -3.543 -0.899 1.00 0.00 O ATOM 1681 CB PHE A 106 -16.910 -1.108 -0.297 1.00 0.00 C ATOM 1682 CG PHE A 106 -17.128 0.372 -0.141 1.00 0.00 C ATOM 1683 CD1 PHE A 106 -17.439 0.916 1.095 1.00 0.00 C ATOM 1684 CD2 PHE A 106 -17.021 1.217 -1.233 1.00 0.00 C ATOM 1685 CE1 PHE A 106 -17.639 2.277 1.238 1.00 0.00 C ATOM 1686 CE2 PHE A 106 -17.220 2.578 -1.096 1.00 0.00 C ATOM 1687 CZ PHE A 106 -17.529 3.107 0.141 1.00 0.00 C ATOM 0 H PHE A 106 -16.348 -1.672 2.036 1.00 0.00 H new ATOM 0 HA PHE A 106 -18.805 -1.487 0.645 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -15.873 -1.340 -0.056 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -17.064 -1.380 -1.341 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -17.526 0.270 1.956 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -16.779 0.808 -2.203 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -17.881 2.689 2.206 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -17.134 3.226 -1.955 1.00 0.00 H new ATOM 0 HZ PHE A 106 -17.685 4.170 0.250 1.00 0.00 H new ATOM 1697 N LYS A 107 -17.181 -4.295 0.387 1.00 0.00 N ATOM 1698 CA LYS A 107 -17.249 -5.656 -0.130 1.00 0.00 C ATOM 1699 C LYS A 107 -18.637 -6.254 0.084 1.00 0.00 C ATOM 1700 O LYS A 107 -19.266 -6.739 -0.855 1.00 0.00 O ATOM 1701 CB LYS A 107 -16.193 -6.533 0.548 1.00 0.00 C ATOM 1702 CG LYS A 107 -14.880 -6.604 -0.215 1.00 0.00 C ATOM 1703 CD LYS A 107 -14.691 -7.956 -0.881 1.00 0.00 C ATOM 1704 CE LYS A 107 -14.365 -9.039 0.135 1.00 0.00 C ATOM 1705 NZ LYS A 107 -15.553 -9.881 0.451 1.00 0.00 N ATOM 0 H LYS A 107 -16.459 -4.147 1.092 1.00 0.00 H new ATOM 0 HA LYS A 107 -17.051 -5.621 -1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -16.001 -6.148 1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -16.591 -7.541 0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -14.855 -5.819 -0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -14.051 -6.415 0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -15.598 -8.225 -1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -13.888 -7.892 -1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -13.565 -9.670 -0.252 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -13.993 -8.578 1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -15.767 -9.813 1.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -16.371 -9.547 -0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -15.352 -10.871 0.205 1.00 0.00 H new