USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=18 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= -1.5 K(o=-1.5,f=-0.57) USER MOD Single : A 13 CYS SG : rot 146:sc= -0.705 USER MOD Single : A 14 GLN : amide:sc= -0.915 X(o=-0.92,f=-0.8) USER MOD Single : A 16 GLN : amide:sc= -0.416 K(o=-0.42,f=-3!) USER MOD Single : A 17 THR OG1 : rot 79:sc= 0.94 USER MOD Single : A 20 TYR OH : rot 27:sc= 0.685 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 13:sc= 0.251 USER MOD Single : A 29 SER OG : rot 11:sc= 1.25 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0784 USER MOD Single : A 31 SER OG : rot -110:sc= -0.88 USER MOD Single : A 39 CYS SG : rot 89:sc= -0.576 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -2.67 K(o=-2.7,f=-4.4!) 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 75:sc= 0.815 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.0186 K(o=-0.019,f=-1.2!) USER MOD Single : A 78 THR OG1 : rot -55:sc= 0.00729 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.723 K(o=-0.72,f=-2.6!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 15:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.305 X(o=-0.3,f=-0.4) USER MOD Single : A 103 HIS : no HE2:sc= -3.65 K(o=-3.7,f=-2) 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 0.093 0.482 -2.567 1.00 0.00 N ATOM 202 CA GLN A 6 -0.550 1.706 -3.029 1.00 0.00 C ATOM 203 C GLN A 6 -1.156 1.515 -4.417 1.00 0.00 C ATOM 204 O GLN A 6 -2.179 2.115 -4.746 1.00 0.00 O ATOM 205 CB GLN A 6 0.460 2.856 -3.052 1.00 0.00 C ATOM 206 CG GLN A 6 -0.064 4.140 -2.428 1.00 0.00 C ATOM 207 CD GLN A 6 0.694 4.530 -1.174 1.00 0.00 C ATOM 208 OE1 GLN A 6 1.910 4.721 -1.204 1.00 0.00 O ATOM 209 NE2 GLN A 6 -0.022 4.651 -0.063 1.00 0.00 N ATOM 0 HA GLN A 6 -1.354 1.950 -2.335 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.362 2.547 -2.523 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.748 3.055 -4.084 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.005 4.948 -3.156 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -1.120 4.018 -2.187 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.028 4.483 -0.084 1.00 0.00 H new ATOM 0 HE22 GLN A 6 0.434 4.912 0.812 1.00 0.00 H new ATOM 218 N GLU A 7 -0.513 0.680 -5.227 1.00 0.00 N ATOM 219 CA GLU A 7 -0.981 0.416 -6.584 1.00 0.00 C ATOM 220 C GLU A 7 -2.363 -0.234 -6.580 1.00 0.00 C ATOM 221 O GLU A 7 -3.251 0.174 -7.327 1.00 0.00 O ATOM 222 CB GLU A 7 0.015 -0.483 -7.321 1.00 0.00 C ATOM 223 CG GLU A 7 1.064 0.288 -8.104 1.00 0.00 C ATOM 224 CD GLU A 7 1.255 -0.250 -9.510 1.00 0.00 C ATOM 225 OE1 GLU A 7 1.902 -1.309 -9.657 1.00 0.00 O ATOM 226 OE2 GLU A 7 0.756 0.386 -10.462 1.00 0.00 O ATOM 0 H GLU A 7 0.334 0.174 -4.968 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.057 1.372 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.514 -1.128 -6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.531 -1.133 -8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.774 1.337 -8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.014 0.246 -7.571 1.00 0.00 H new ATOM 233 N GLU A 8 -2.540 -1.249 -5.741 1.00 0.00 N ATOM 234 CA GLU A 8 -3.816 -1.951 -5.654 1.00 0.00 C ATOM 235 C GLU A 8 -4.884 -1.070 -5.009 1.00 0.00 C ATOM 236 O GLU A 8 -6.067 -1.177 -5.333 1.00 0.00 O ATOM 237 CB GLU A 8 -3.660 -3.260 -4.873 1.00 0.00 C ATOM 238 CG GLU A 8 -3.428 -3.071 -3.382 1.00 0.00 C ATOM 239 CD GLU A 8 -4.458 -3.793 -2.535 1.00 0.00 C ATOM 240 OE1 GLU A 8 -5.665 -3.528 -2.713 1.00 0.00 O ATOM 241 OE2 GLU A 8 -4.058 -4.624 -1.692 1.00 0.00 O ATOM 0 H GLU A 8 -1.819 -1.603 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.138 -2.188 -6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.555 -3.865 -5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.825 -3.822 -5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.433 -3.433 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.451 -2.007 -3.147 1.00 0.00 H new ATOM 248 N LEU A 9 -4.461 -0.202 -4.097 1.00 0.00 N ATOM 249 CA LEU A 9 -5.383 0.694 -3.410 1.00 0.00 C ATOM 250 C LEU A 9 -5.836 1.819 -4.336 1.00 0.00 C ATOM 251 O LEU A 9 -7.029 2.105 -4.446 1.00 0.00 O ATOM 252 CB LEU A 9 -4.723 1.282 -2.161 1.00 0.00 C ATOM 253 CG LEU A 9 -4.493 0.289 -1.022 1.00 0.00 C ATOM 254 CD1 LEU A 9 -3.366 0.766 -0.118 1.00 0.00 C ATOM 255 CD2 LEU A 9 -5.772 0.089 -0.222 1.00 0.00 C ATOM 0 H LEU A 9 -3.486 -0.100 -3.816 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.258 0.116 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.763 1.714 -2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.343 2.098 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.205 -0.669 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.216 0.047 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.448 0.857 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.625 1.736 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.589 -0.621 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.091 1.043 0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.553 -0.298 -0.876 1.00 0.00 H new ATOM 267 N LEU A 10 -4.876 2.454 -5.000 1.00 0.00 N ATOM 268 CA LEU A 10 -5.172 3.547 -5.918 1.00 0.00 C ATOM 269 C LEU A 10 -6.015 3.058 -7.093 1.00 0.00 C ATOM 270 O LEU A 10 -6.887 3.775 -7.584 1.00 0.00 O ATOM 271 CB LEU A 10 -3.876 4.173 -6.431 1.00 0.00 C ATOM 272 CG LEU A 10 -3.300 5.285 -5.553 1.00 0.00 C ATOM 273 CD1 LEU A 10 -1.781 5.235 -5.554 1.00 0.00 C ATOM 274 CD2 LEU A 10 -3.792 6.645 -6.025 1.00 0.00 C ATOM 0 H LEU A 10 -3.884 2.230 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.742 4.301 -5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.127 3.388 -6.533 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.055 4.575 -7.428 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.646 5.130 -4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.390 6.034 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.448 4.272 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.413 5.363 -6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.372 7.425 -5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.477 6.808 -7.055 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.880 6.678 -5.969 1.00 0.00 H new ATOM 286 N ARG A 11 -5.746 1.835 -7.537 1.00 0.00 N ATOM 287 CA ARG A 11 -6.479 1.250 -8.653 1.00 0.00 C ATOM 288 C ARG A 11 -7.942 1.022 -8.285 1.00 0.00 C ATOM 289 O ARG A 11 -8.843 1.322 -9.067 1.00 0.00 O ATOM 290 CB ARG A 11 -5.836 -0.072 -9.077 1.00 0.00 C ATOM 291 CG ARG A 11 -4.614 0.103 -9.964 1.00 0.00 C ATOM 292 CD ARG A 11 -4.959 0.832 -11.253 1.00 0.00 C ATOM 293 NE ARG A 11 -4.549 2.232 -11.216 1.00 0.00 N ATOM 294 CZ ARG A 11 -3.282 2.633 -11.147 1.00 0.00 C ATOM 295 NH1 ARG A 11 -2.298 1.741 -11.110 1.00 0.00 N ATOM 296 NH2 ARG A 11 -2.995 3.927 -11.117 1.00 0.00 N ATOM 0 H ARG A 11 -5.026 1.230 -7.141 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.438 1.950 -9.487 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.551 -0.630 -8.185 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.576 -0.673 -9.606 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.848 0.660 -9.424 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.191 -0.874 -10.199 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.473 0.334 -12.092 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.034 0.773 -11.426 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.277 2.946 -11.245 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.512 0.744 -11.134 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.328 2.053 -11.057 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.746 4.617 -11.147 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.023 4.233 -11.064 1.00 0.00 H new ATOM 310 N TRP A 12 -8.169 0.488 -7.090 1.00 0.00 N ATOM 311 CA TRP A 12 -9.522 0.222 -6.618 1.00 0.00 C ATOM 312 C TRP A 12 -10.283 1.521 -6.374 1.00 0.00 C ATOM 313 O TRP A 12 -11.486 1.604 -6.623 1.00 0.00 O ATOM 314 CB TRP A 12 -9.481 -0.608 -5.333 1.00 0.00 C ATOM 315 CG TRP A 12 -10.840 -0.982 -4.822 1.00 0.00 C ATOM 316 CD1 TRP A 12 -11.535 -2.121 -5.105 1.00 0.00 C ATOM 317 CD2 TRP A 12 -11.667 -0.212 -3.943 1.00 0.00 C ATOM 318 NE1 TRP A 12 -12.745 -2.109 -4.453 1.00 0.00 N ATOM 319 CE2 TRP A 12 -12.849 -0.948 -3.733 1.00 0.00 C ATOM 320 CE3 TRP A 12 -11.522 1.026 -3.311 1.00 0.00 C ATOM 321 CZ2 TRP A 12 -13.879 -0.484 -2.919 1.00 0.00 C ATOM 322 CZ3 TRP A 12 -12.546 1.484 -2.503 1.00 0.00 C ATOM 323 CH2 TRP A 12 -13.711 0.731 -2.313 1.00 0.00 C ATOM 0 H TRP A 12 -7.434 0.231 -6.431 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.044 -0.341 -7.392 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -8.906 -1.516 -5.514 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -8.953 -0.046 -4.563 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -11.186 -2.916 -5.747 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.450 -2.844 -4.498 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.627 1.614 -3.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.779 -1.063 -2.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.446 2.439 -2.010 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.493 1.117 -1.675 1.00 0.00 H new ATOM 334 N CYS A 13 -9.574 2.532 -5.881 1.00 0.00 N ATOM 335 CA CYS A 13 -10.184 3.826 -5.597 1.00 0.00 C ATOM 336 C CYS A 13 -10.666 4.502 -6.878 1.00 0.00 C ATOM 337 O CYS A 13 -11.777 5.027 -6.931 1.00 0.00 O ATOM 338 CB CYS A 13 -9.186 4.733 -4.875 1.00 0.00 C ATOM 339 SG CYS A 13 -9.934 6.196 -4.117 1.00 0.00 S ATOM 0 H CYS A 13 -8.577 2.480 -5.670 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.048 3.656 -4.954 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.679 4.155 -4.102 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.423 5.054 -5.585 1.00 0.00 H new ATOM 0 HG CYS A 13 -9.306 6.483 -3.015 1.00 0.00 H new ATOM 345 N GLN A 14 -9.824 4.487 -7.906 1.00 0.00 N ATOM 346 CA GLN A 14 -10.170 5.104 -9.183 1.00 0.00 C ATOM 347 C GLN A 14 -11.369 4.408 -9.818 1.00 0.00 C ATOM 348 O GLN A 14 -12.214 5.052 -10.438 1.00 0.00 O ATOM 349 CB GLN A 14 -8.974 5.067 -10.136 1.00 0.00 C ATOM 350 CG GLN A 14 -8.447 3.666 -10.404 1.00 0.00 C ATOM 351 CD GLN A 14 -7.605 3.590 -11.660 1.00 0.00 C ATOM 352 OE1 GLN A 14 -6.906 4.540 -12.012 1.00 0.00 O ATOM 353 NE2 GLN A 14 -7.668 2.454 -12.346 1.00 0.00 N ATOM 0 H GLN A 14 -8.900 4.056 -7.881 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.438 6.143 -8.993 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.261 5.524 -11.083 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.170 5.674 -9.719 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.852 3.337 -9.552 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.287 2.977 -10.492 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.261 1.692 -12.017 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.123 2.344 -13.201 1.00 0.00 H new ATOM 362 N GLU A 15 -11.437 3.090 -9.661 1.00 0.00 N ATOM 363 CA GLU A 15 -12.536 2.312 -10.220 1.00 0.00 C ATOM 364 C GLU A 15 -13.854 2.669 -9.539 1.00 0.00 C ATOM 365 O GLU A 15 -14.873 2.866 -10.202 1.00 0.00 O ATOM 366 CB GLU A 15 -12.256 0.815 -10.068 1.00 0.00 C ATOM 367 CG GLU A 15 -12.611 0.001 -11.301 1.00 0.00 C ATOM 368 CD GLU A 15 -11.813 -1.283 -11.402 1.00 0.00 C ATOM 369 OE1 GLU A 15 -11.431 -1.829 -10.344 1.00 0.00 O ATOM 370 OE2 GLU A 15 -11.567 -1.743 -12.537 1.00 0.00 O ATOM 0 H GLU A 15 -10.745 2.539 -9.152 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.619 2.552 -11.280 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.199 0.673 -9.841 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.819 0.433 -9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.674 -0.237 -11.281 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.437 0.604 -12.192 1.00 0.00 H new ATOM 377 N GLN A 16 -13.825 2.747 -8.213 1.00 0.00 N ATOM 378 CA GLN A 16 -15.017 3.077 -7.439 1.00 0.00 C ATOM 379 C GLN A 16 -15.461 4.513 -7.706 1.00 0.00 C ATOM 380 O GLN A 16 -16.657 4.810 -7.709 1.00 0.00 O ATOM 381 CB GLN A 16 -14.749 2.880 -5.945 1.00 0.00 C ATOM 382 CG GLN A 16 -15.395 1.628 -5.372 1.00 0.00 C ATOM 383 CD GLN A 16 -16.598 1.936 -4.503 1.00 0.00 C ATOM 384 OE1 GLN A 16 -16.547 2.812 -3.640 1.00 0.00 O ATOM 385 NE2 GLN A 16 -17.690 1.214 -4.725 1.00 0.00 N ATOM 0 H GLN A 16 -12.989 2.586 -7.651 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.819 2.407 -7.749 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.673 2.831 -5.781 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.116 3.750 -5.400 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -15.700 0.975 -6.190 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.658 1.080 -4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -17.689 0.497 -5.451 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -18.530 1.376 -4.170 1.00 0.00 H new ATOM 394 N THR A 17 -14.497 5.398 -7.925 1.00 0.00 N ATOM 395 CA THR A 17 -14.793 6.802 -8.190 1.00 0.00 C ATOM 396 C THR A 17 -15.020 7.056 -9.680 1.00 0.00 C ATOM 397 O THR A 17 -15.148 8.204 -10.107 1.00 0.00 O ATOM 398 CB THR A 17 -13.656 7.689 -7.680 1.00 0.00 C ATOM 399 OG1 THR A 17 -13.296 7.332 -6.357 1.00 0.00 O ATOM 400 CG2 THR A 17 -14.001 9.162 -7.680 1.00 0.00 C ATOM 0 H THR A 17 -13.503 5.169 -7.925 1.00 0.00 H new ATOM 0 HA THR A 17 -15.712 7.051 -7.660 1.00 0.00 H new ATOM 0 HB THR A 17 -12.830 7.526 -8.372 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.734 6.529 -6.376 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.152 9.735 -7.307 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.236 9.481 -8.696 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.865 9.333 -7.037 1.00 0.00 H new ATOM 408 N ALA A 18 -15.069 5.985 -10.469 1.00 0.00 N ATOM 409 CA ALA A 18 -15.281 6.108 -11.906 1.00 0.00 C ATOM 410 C ALA A 18 -16.761 6.282 -12.227 1.00 0.00 C ATOM 411 O ALA A 18 -17.594 5.471 -11.822 1.00 0.00 O ATOM 412 CB ALA A 18 -14.724 4.892 -12.628 1.00 0.00 C ATOM 0 H ALA A 18 -14.965 5.026 -10.137 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.752 6.996 -12.252 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.890 4.998 -13.700 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.655 4.811 -12.432 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.228 3.994 -12.270 1.00 0.00 H new ATOM 418 N GLY A 19 -17.083 7.347 -12.953 1.00 0.00 N ATOM 419 CA GLY A 19 -18.464 7.607 -13.316 1.00 0.00 C ATOM 420 C GLY A 19 -18.798 9.086 -13.304 1.00 0.00 C ATOM 421 O GLY A 19 -19.639 9.545 -14.078 1.00 0.00 O ATOM 0 H GLY A 19 -16.413 8.035 -13.297 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -18.658 7.202 -14.309 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -19.123 7.083 -12.624 1.00 0.00 H new ATOM 425 N TYR A 20 -18.141 9.833 -12.423 1.00 0.00 N ATOM 426 CA TYR A 20 -18.375 11.268 -12.314 1.00 0.00 C ATOM 427 C TYR A 20 -17.685 12.018 -13.455 1.00 0.00 C ATOM 428 O TYR A 20 -16.467 11.928 -13.618 1.00 0.00 O ATOM 429 CB TYR A 20 -17.869 11.786 -10.966 1.00 0.00 C ATOM 430 CG TYR A 20 -18.426 11.031 -9.780 1.00 0.00 C ATOM 431 CD1 TYR A 20 -17.863 9.829 -9.370 1.00 0.00 C ATOM 432 CD2 TYR A 20 -19.519 11.519 -9.072 1.00 0.00 C ATOM 433 CE1 TYR A 20 -18.371 9.135 -8.289 1.00 0.00 C ATOM 434 CE2 TYR A 20 -20.033 10.829 -7.989 1.00 0.00 C ATOM 435 CZ TYR A 20 -19.457 9.640 -7.602 1.00 0.00 C ATOM 436 OH TYR A 20 -19.968 8.951 -6.525 1.00 0.00 O ATOM 0 H TYR A 20 -17.443 9.469 -11.775 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.448 11.445 -12.383 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.781 11.724 -10.947 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.130 12.840 -10.870 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.014 9.430 -9.905 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -19.974 12.451 -9.373 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -17.921 8.202 -7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -20.882 11.221 -7.449 1.00 0.00 H new ATOM 0 HH TYR A 20 -19.259 8.414 -6.114 1.00 0.00 H new ATOM 446 N PRO A 21 -18.454 12.771 -14.266 1.00 0.00 N ATOM 447 CA PRO A 21 -17.904 13.530 -15.394 1.00 0.00 C ATOM 448 C PRO A 21 -17.119 14.761 -14.949 1.00 0.00 C ATOM 449 O PRO A 21 -17.415 15.882 -15.363 1.00 0.00 O ATOM 450 CB PRO A 21 -19.149 13.945 -16.179 1.00 0.00 C ATOM 451 CG PRO A 21 -20.231 14.011 -15.158 1.00 0.00 C ATOM 452 CD PRO A 21 -19.916 12.939 -14.150 1.00 0.00 C ATOM 0 HA PRO A 21 -17.193 12.939 -15.971 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -19.006 14.908 -16.668 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -19.384 13.222 -16.960 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -20.263 14.993 -14.686 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -21.207 13.844 -15.613 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -20.206 13.238 -13.143 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -20.445 12.012 -14.372 1.00 0.00 H new ATOM 460 N GLY A 22 -16.114 14.544 -14.108 1.00 0.00 N ATOM 461 CA GLY A 22 -15.301 15.645 -13.624 1.00 0.00 C ATOM 462 C GLY A 22 -14.590 15.319 -12.325 1.00 0.00 C ATOM 463 O GLY A 22 -14.432 16.185 -11.464 1.00 0.00 O ATOM 0 H GLY A 22 -15.848 13.626 -13.753 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.563 15.907 -14.382 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.933 16.521 -13.478 1.00 0.00 H new ATOM 467 N VAL A 23 -14.155 14.071 -12.182 1.00 0.00 N ATOM 468 CA VAL A 23 -13.455 13.641 -10.978 1.00 0.00 C ATOM 469 C VAL A 23 -12.267 12.748 -11.323 1.00 0.00 C ATOM 470 O VAL A 23 -12.427 11.697 -11.944 1.00 0.00 O ATOM 471 CB VAL A 23 -14.394 12.880 -10.023 1.00 0.00 C ATOM 472 CG1 VAL A 23 -13.698 12.601 -8.699 1.00 0.00 C ATOM 473 CG2 VAL A 23 -15.680 13.662 -9.804 1.00 0.00 C ATOM 0 H VAL A 23 -14.275 13.341 -12.884 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.097 14.543 -10.481 1.00 0.00 H new ATOM 0 HB VAL A 23 -14.651 11.924 -10.480 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -14.377 12.063 -8.037 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.808 11.996 -8.876 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.409 13.544 -8.234 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -16.331 13.109 -9.127 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.445 14.634 -9.369 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -16.186 13.804 -10.759 1.00 0.00 H new ATOM 483 N HIS A 24 -11.075 13.175 -10.917 1.00 0.00 N ATOM 484 CA HIS A 24 -9.860 12.414 -11.181 1.00 0.00 C ATOM 485 C HIS A 24 -9.308 11.814 -9.892 1.00 0.00 C ATOM 486 O HIS A 24 -9.080 12.525 -8.913 1.00 0.00 O ATOM 487 CB HIS A 24 -8.806 13.309 -11.840 1.00 0.00 C ATOM 488 CG HIS A 24 -8.472 12.904 -13.242 1.00 0.00 C ATOM 489 ND1 HIS A 24 -7.314 12.235 -13.577 1.00 0.00 N ATOM 490 CD2 HIS A 24 -9.151 13.079 -14.400 1.00 0.00 C ATOM 491 CE1 HIS A 24 -7.295 12.016 -14.879 1.00 0.00 C ATOM 492 NE2 HIS A 24 -8.398 12.518 -15.403 1.00 0.00 N ATOM 0 H HIS A 24 -10.925 14.044 -10.404 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.107 11.600 -11.862 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.165 14.338 -11.843 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.897 13.290 -11.238 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -10.107 13.569 -14.514 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -6.510 11.512 -15.423 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -8.650 12.493 -16.391 1.00 0.00 H new ATOM 501 N VAL A 25 -9.099 10.501 -9.898 1.00 0.00 N ATOM 502 CA VAL A 25 -8.579 9.808 -8.726 1.00 0.00 C ATOM 503 C VAL A 25 -7.279 9.078 -9.046 1.00 0.00 C ATOM 504 O VAL A 25 -7.292 7.918 -9.457 1.00 0.00 O ATOM 505 CB VAL A 25 -9.598 8.795 -8.174 1.00 0.00 C ATOM 506 CG1 VAL A 25 -9.129 8.232 -6.843 1.00 0.00 C ATOM 507 CG2 VAL A 25 -10.969 9.438 -8.037 1.00 0.00 C ATOM 0 H VAL A 25 -9.281 9.897 -10.700 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.387 10.570 -7.971 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.678 7.969 -8.880 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.864 7.518 -6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.171 7.730 -6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.015 9.044 -6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.676 8.707 -7.645 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.907 10.285 -7.354 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.308 9.784 -9.014 1.00 0.00 H new ATOM 517 N SER A 26 -6.157 9.763 -8.848 1.00 0.00 N ATOM 518 CA SER A 26 -4.848 9.176 -9.110 1.00 0.00 C ATOM 519 C SER A 26 -3.797 9.746 -8.161 1.00 0.00 C ATOM 520 O SER A 26 -2.598 9.693 -8.443 1.00 0.00 O ATOM 521 CB SER A 26 -4.435 9.426 -10.560 1.00 0.00 C ATOM 522 OG SER A 26 -5.124 8.559 -11.445 1.00 0.00 O ATOM 0 H SER A 26 -6.128 10.724 -8.507 1.00 0.00 H new ATOM 0 HA SER A 26 -4.918 8.101 -8.941 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.642 10.462 -10.827 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.360 9.279 -10.666 1.00 0.00 H new ATOM 0 HG SER A 26 -5.863 8.125 -10.969 1.00 0.00 H new ATOM 528 N ASP A 27 -4.251 10.284 -7.035 1.00 0.00 N ATOM 529 CA ASP A 27 -3.354 10.858 -6.039 1.00 0.00 C ATOM 530 C ASP A 27 -3.792 10.471 -4.631 1.00 0.00 C ATOM 531 O ASP A 27 -4.985 10.437 -4.330 1.00 0.00 O ATOM 532 CB ASP A 27 -3.313 12.382 -6.174 1.00 0.00 C ATOM 533 CG ASP A 27 -3.139 12.831 -7.612 1.00 0.00 C ATOM 534 OD1 ASP A 27 -4.033 12.547 -8.435 1.00 0.00 O ATOM 535 OD2 ASP A 27 -2.107 13.468 -7.914 1.00 0.00 O ATOM 0 H ASP A 27 -5.239 10.335 -6.788 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.354 10.460 -6.213 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.235 12.804 -5.773 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.494 12.775 -5.572 1.00 0.00 H new ATOM 540 N LEU A 28 -2.824 10.177 -3.770 1.00 0.00 N ATOM 541 CA LEU A 28 -3.117 9.789 -2.396 1.00 0.00 C ATOM 542 C LEU A 28 -3.012 10.988 -1.457 1.00 0.00 C ATOM 543 O LEU A 28 -2.543 10.862 -0.325 1.00 0.00 O ATOM 544 CB LEU A 28 -2.163 8.679 -1.945 1.00 0.00 C ATOM 545 CG LEU A 28 -2.846 7.425 -1.391 1.00 0.00 C ATOM 546 CD1 LEU A 28 -2.892 6.331 -2.446 1.00 0.00 C ATOM 547 CD2 LEU A 28 -2.127 6.933 -0.143 1.00 0.00 C ATOM 0 H LEU A 28 -1.830 10.200 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.140 9.414 -2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.539 8.391 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.498 9.080 -1.180 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.870 7.683 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.381 5.448 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.451 6.684 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.877 6.075 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.626 6.041 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.093 6.693 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.146 7.712 0.619 1.00 0.00 H new ATOM 559 N SER A 29 -3.451 12.149 -1.932 1.00 0.00 N ATOM 560 CA SER A 29 -3.403 13.367 -1.129 1.00 0.00 C ATOM 561 C SER A 29 -4.291 14.456 -1.726 1.00 0.00 C ATOM 562 O SER A 29 -5.368 14.747 -1.206 1.00 0.00 O ATOM 563 CB SER A 29 -1.962 13.871 -1.017 1.00 0.00 C ATOM 564 OG SER A 29 -1.230 13.118 -0.066 1.00 0.00 O ATOM 0 H SER A 29 -3.843 12.273 -2.866 1.00 0.00 H new ATOM 0 HA SER A 29 -3.778 13.128 -0.134 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.474 13.806 -1.990 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.963 14.923 -0.730 1.00 0.00 H new ATOM 0 HG SER A 29 -1.747 12.327 0.193 1.00 0.00 H new ATOM 570 N SER A 30 -3.829 15.058 -2.818 1.00 0.00 N ATOM 571 CA SER A 30 -4.576 16.121 -3.482 1.00 0.00 C ATOM 572 C SER A 30 -5.971 15.651 -3.888 1.00 0.00 C ATOM 573 O SER A 30 -6.942 16.399 -3.786 1.00 0.00 O ATOM 574 CB SER A 30 -3.814 16.610 -4.717 1.00 0.00 C ATOM 575 OG SER A 30 -3.008 15.580 -5.259 1.00 0.00 O ATOM 0 H SER A 30 -2.940 14.827 -3.262 1.00 0.00 H new ATOM 0 HA SER A 30 -4.686 16.943 -2.774 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.521 16.957 -5.470 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.189 17.462 -4.449 1.00 0.00 H new ATOM 0 HG SER A 30 -2.533 15.917 -6.047 1.00 0.00 H new ATOM 581 N SER A 31 -6.062 14.409 -4.352 1.00 0.00 N ATOM 582 CA SER A 31 -7.339 13.842 -4.780 1.00 0.00 C ATOM 583 C SER A 31 -8.389 13.940 -3.674 1.00 0.00 C ATOM 584 O SER A 31 -9.587 13.983 -3.949 1.00 0.00 O ATOM 585 CB SER A 31 -7.160 12.380 -5.194 1.00 0.00 C ATOM 586 OG SER A 31 -6.338 12.272 -6.343 1.00 0.00 O ATOM 0 H SER A 31 -5.268 13.775 -4.442 1.00 0.00 H new ATOM 0 HA SER A 31 -7.688 14.420 -5.636 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.717 11.818 -4.372 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.134 11.934 -5.397 1.00 0.00 H new ATOM 0 HG SER A 31 -6.881 11.989 -7.108 1.00 0.00 H new ATOM 592 N TRP A 32 -7.933 13.973 -2.426 1.00 0.00 N ATOM 593 CA TRP A 32 -8.841 14.061 -1.285 1.00 0.00 C ATOM 594 C TRP A 32 -8.890 15.479 -0.715 1.00 0.00 C ATOM 595 O TRP A 32 -9.531 15.719 0.309 1.00 0.00 O ATOM 596 CB TRP A 32 -8.415 13.078 -0.195 1.00 0.00 C ATOM 597 CG TRP A 32 -8.120 11.705 -0.715 1.00 0.00 C ATOM 598 CD1 TRP A 32 -7.045 11.328 -1.467 1.00 0.00 C ATOM 599 CD2 TRP A 32 -8.911 10.527 -0.524 1.00 0.00 C ATOM 600 NE1 TRP A 32 -7.119 9.986 -1.756 1.00 0.00 N ATOM 601 CE2 TRP A 32 -8.256 9.472 -1.187 1.00 0.00 C ATOM 602 CE3 TRP A 32 -10.109 10.261 0.146 1.00 0.00 C ATOM 603 CZ2 TRP A 32 -8.760 8.173 -1.201 1.00 0.00 C ATOM 604 CZ3 TRP A 32 -10.608 8.972 0.130 1.00 0.00 C ATOM 605 CH2 TRP A 32 -9.934 7.943 -0.538 1.00 0.00 C ATOM 0 H TRP A 32 -6.944 13.940 -2.178 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.840 13.803 -1.636 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.529 13.466 0.308 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.204 13.013 0.554 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.252 11.988 -1.788 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.439 9.459 -2.304 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -10.635 11.048 0.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -8.243 7.377 -1.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -11.534 8.755 0.642 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -10.350 6.946 -0.530 1.00 0.00 H new ATOM 616 N ALA A 33 -8.215 16.415 -1.377 1.00 0.00 N ATOM 617 CA ALA A 33 -8.190 17.802 -0.924 1.00 0.00 C ATOM 618 C ALA A 33 -9.602 18.355 -0.760 1.00 0.00 C ATOM 619 O ALA A 33 -10.001 18.747 0.336 1.00 0.00 O ATOM 620 CB ALA A 33 -7.392 18.660 -1.894 1.00 0.00 C ATOM 0 H ALA A 33 -7.679 16.238 -2.227 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.705 17.830 0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.382 19.692 -1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.370 18.287 -1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.852 18.617 -2.881 1.00 0.00 H new ATOM 626 N ASP A 34 -10.355 18.384 -1.855 1.00 0.00 N ATOM 627 CA ASP A 34 -11.726 18.890 -1.825 1.00 0.00 C ATOM 628 C ASP A 34 -12.709 17.814 -1.367 1.00 0.00 C ATOM 629 O ASP A 34 -13.917 18.043 -1.336 1.00 0.00 O ATOM 630 CB ASP A 34 -12.131 19.415 -3.206 1.00 0.00 C ATOM 631 CG ASP A 34 -11.813 18.435 -4.317 1.00 0.00 C ATOM 632 OD1 ASP A 34 -11.597 17.243 -4.014 1.00 0.00 O ATOM 633 OD2 ASP A 34 -11.778 18.858 -5.492 1.00 0.00 O ATOM 0 H ASP A 34 -10.042 18.065 -2.772 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.761 19.708 -1.106 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.200 19.629 -3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.616 20.356 -3.398 1.00 0.00 H new ATOM 638 N GLY A 35 -12.190 16.640 -1.007 1.00 0.00 N ATOM 639 CA GLY A 35 -13.048 15.559 -0.555 1.00 0.00 C ATOM 640 C GLY A 35 -13.815 14.910 -1.690 1.00 0.00 C ATOM 641 O GLY A 35 -14.925 14.415 -1.495 1.00 0.00 O ATOM 0 H GLY A 35 -11.194 16.421 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.442 14.805 -0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.753 15.944 0.182 1.00 0.00 H new ATOM 645 N LEU A 36 -13.223 14.912 -2.880 1.00 0.00 N ATOM 646 CA LEU A 36 -13.860 14.319 -4.050 1.00 0.00 C ATOM 647 C LEU A 36 -13.811 12.794 -3.988 1.00 0.00 C ATOM 648 O LEU A 36 -14.812 12.123 -4.237 1.00 0.00 O ATOM 649 CB LEU A 36 -13.178 14.814 -5.331 1.00 0.00 C ATOM 650 CG LEU A 36 -13.935 15.908 -6.088 1.00 0.00 C ATOM 651 CD1 LEU A 36 -15.147 15.325 -6.797 1.00 0.00 C ATOM 652 CD2 LEU A 36 -14.354 17.025 -5.141 1.00 0.00 C ATOM 0 H LEU A 36 -12.304 15.317 -3.059 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.906 14.627 -4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.187 15.190 -5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.034 13.965 -5.999 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.267 16.330 -6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.673 16.117 -7.330 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.822 14.564 -7.507 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -15.816 14.875 -6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.891 17.793 -5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.003 16.620 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.468 17.463 -4.681 1.00 0.00 H new ATOM 664 N ALA A 37 -12.644 12.254 -3.653 1.00 0.00 N ATOM 665 CA ALA A 37 -12.470 10.809 -3.559 1.00 0.00 C ATOM 666 C ALA A 37 -13.384 10.213 -2.495 1.00 0.00 C ATOM 667 O ALA A 37 -14.055 9.208 -2.732 1.00 0.00 O ATOM 668 CB ALA A 37 -11.017 10.473 -3.259 1.00 0.00 C ATOM 0 H ALA A 37 -11.805 12.795 -3.442 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.743 10.371 -4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.900 9.391 -3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.382 10.857 -4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.726 10.929 -2.313 1.00 0.00 H new ATOM 674 N LEU A 38 -13.403 10.836 -1.321 1.00 0.00 N ATOM 675 CA LEU A 38 -14.235 10.364 -0.219 1.00 0.00 C ATOM 676 C LEU A 38 -15.717 10.525 -0.545 1.00 0.00 C ATOM 677 O LEU A 38 -16.515 9.615 -0.318 1.00 0.00 O ATOM 678 CB LEU A 38 -13.897 11.126 1.064 1.00 0.00 C ATOM 679 CG LEU A 38 -14.059 10.319 2.357 1.00 0.00 C ATOM 680 CD1 LEU A 38 -12.836 10.484 3.247 1.00 0.00 C ATOM 681 CD2 LEU A 38 -15.321 10.743 3.095 1.00 0.00 C ATOM 0 H LEU A 38 -12.853 11.668 -1.108 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.029 9.304 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.867 11.478 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.533 12.009 1.123 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.152 9.265 2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.970 9.904 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.951 10.130 2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.710 11.536 3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.420 10.160 4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.258 11.802 3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.189 10.571 2.459 1.00 0.00 H new ATOM 693 N CYS A 39 -16.078 11.688 -1.076 1.00 0.00 N ATOM 694 CA CYS A 39 -17.467 11.966 -1.432 1.00 0.00 C ATOM 695 C CYS A 39 -17.943 11.028 -2.537 1.00 0.00 C ATOM 696 O CYS A 39 -19.060 10.512 -2.487 1.00 0.00 O ATOM 697 CB CYS A 39 -17.617 13.421 -1.880 1.00 0.00 C ATOM 698 SG CYS A 39 -17.672 14.611 -0.519 1.00 0.00 S ATOM 0 H CYS A 39 -15.431 12.452 -1.270 1.00 0.00 H new ATOM 0 HA CYS A 39 -18.084 11.799 -0.549 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -16.785 13.675 -2.537 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -18.529 13.516 -2.469 1.00 0.00 H new ATOM 0 HG CYS A 39 -16.464 14.989 -0.224 1.00 0.00 H new ATOM 704 N ALA A 40 -17.090 10.811 -3.533 1.00 0.00 N ATOM 705 CA ALA A 40 -17.423 9.935 -4.649 1.00 0.00 C ATOM 706 C ALA A 40 -17.767 8.530 -4.162 1.00 0.00 C ATOM 707 O ALA A 40 -18.703 7.903 -4.657 1.00 0.00 O ATOM 708 CB ALA A 40 -16.271 9.886 -5.641 1.00 0.00 C ATOM 0 H ALA A 40 -16.162 11.231 -3.589 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.302 10.341 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.532 9.228 -6.470 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.075 10.889 -6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.379 9.506 -5.144 1.00 0.00 H new ATOM 714 N LEU A 41 -17.002 8.042 -3.191 1.00 0.00 N ATOM 715 CA LEU A 41 -17.228 6.711 -2.639 1.00 0.00 C ATOM 716 C LEU A 41 -18.538 6.659 -1.860 1.00 0.00 C ATOM 717 O LEU A 41 -19.368 5.776 -2.079 1.00 0.00 O ATOM 718 CB LEU A 41 -16.062 6.309 -1.730 1.00 0.00 C ATOM 719 CG LEU A 41 -15.024 5.389 -2.379 1.00 0.00 C ATOM 720 CD1 LEU A 41 -13.840 6.196 -2.887 1.00 0.00 C ATOM 721 CD2 LEU A 41 -14.564 4.325 -1.394 1.00 0.00 C ATOM 0 H LEU A 41 -16.222 8.547 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.293 6.007 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -15.560 7.213 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.464 5.813 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 41 -15.489 4.891 -3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.113 5.526 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.183 6.919 -3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.374 6.722 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.827 3.681 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.116 4.804 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.419 3.727 -1.079 1.00 0.00 H new ATOM 733 N VAL A 42 -18.717 7.608 -0.947 1.00 0.00 N ATOM 734 CA VAL A 42 -19.923 7.669 -0.132 1.00 0.00 C ATOM 735 C VAL A 42 -21.171 7.777 -1.002 1.00 0.00 C ATOM 736 O VAL A 42 -22.152 7.065 -0.788 1.00 0.00 O ATOM 737 CB VAL A 42 -19.889 8.863 0.843 1.00 0.00 C ATOM 738 CG1 VAL A 42 -21.007 8.748 1.870 1.00 0.00 C ATOM 739 CG2 VAL A 42 -18.531 8.959 1.526 1.00 0.00 C ATOM 0 H VAL A 42 -18.040 8.346 -0.753 1.00 0.00 H new ATOM 0 HA VAL A 42 -19.959 6.743 0.442 1.00 0.00 H new ATOM 0 HB VAL A 42 -20.046 9.778 0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -20.966 9.600 2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -21.970 8.736 1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -20.886 7.825 2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -18.527 9.808 2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.339 8.042 2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.754 9.096 0.774 1.00 0.00 H new ATOM 749 N TYR A 43 -21.128 8.671 -1.985 1.00 0.00 N ATOM 750 CA TYR A 43 -22.256 8.869 -2.889 1.00 0.00 C ATOM 751 C TYR A 43 -22.611 7.572 -3.611 1.00 0.00 C ATOM 752 O TYR A 43 -23.784 7.274 -3.831 1.00 0.00 O ATOM 753 CB TYR A 43 -21.937 9.962 -3.910 1.00 0.00 C ATOM 754 CG TYR A 43 -23.095 10.288 -4.829 1.00 0.00 C ATOM 755 CD1 TYR A 43 -24.294 10.769 -4.321 1.00 0.00 C ATOM 756 CD2 TYR A 43 -22.986 10.112 -6.202 1.00 0.00 C ATOM 757 CE1 TYR A 43 -25.355 11.066 -5.158 1.00 0.00 C ATOM 758 CE2 TYR A 43 -24.040 10.407 -7.044 1.00 0.00 C ATOM 759 CZ TYR A 43 -25.222 10.883 -6.518 1.00 0.00 C ATOM 760 OH TYR A 43 -26.275 11.177 -7.353 1.00 0.00 O ATOM 0 H TYR A 43 -20.325 9.270 -2.176 1.00 0.00 H new ATOM 0 HA TYR A 43 -23.114 9.179 -2.292 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -21.638 10.867 -3.380 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -21.084 9.648 -4.511 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -24.400 10.914 -3.256 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -22.062 9.738 -6.618 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -26.282 11.439 -4.748 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -23.939 10.265 -8.110 1.00 0.00 H new ATOM 0 HH TYR A 43 -26.018 10.994 -8.281 1.00 0.00 H new ATOM 770 N ARG A 44 -21.588 6.806 -3.976 1.00 0.00 N ATOM 771 CA ARG A 44 -21.793 5.542 -4.672 1.00 0.00 C ATOM 772 C ARG A 44 -22.568 4.560 -3.797 1.00 0.00 C ATOM 773 O ARG A 44 -23.409 3.806 -4.286 1.00 0.00 O ATOM 774 CB ARG A 44 -20.449 4.935 -5.082 1.00 0.00 C ATOM 775 CG ARG A 44 -20.358 4.600 -6.564 1.00 0.00 C ATOM 776 CD ARG A 44 -20.210 3.104 -6.793 1.00 0.00 C ATOM 777 NE ARG A 44 -20.337 2.753 -8.206 1.00 0.00 N ATOM 778 CZ ARG A 44 -19.909 1.605 -8.727 1.00 0.00 C ATOM 779 NH1 ARG A 44 -19.326 0.696 -7.956 1.00 0.00 N ATOM 780 NH2 ARG A 44 -20.064 1.368 -10.022 1.00 0.00 N ATOM 0 H ARG A 44 -20.610 7.039 -3.801 1.00 0.00 H new ATOM 0 HA ARG A 44 -22.379 5.740 -5.570 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -19.652 5.633 -4.826 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -20.277 4.028 -4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -21.251 4.960 -7.074 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -19.508 5.122 -7.004 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -19.239 2.775 -6.423 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -20.968 2.572 -6.217 1.00 0.00 H new ATOM 0 HE ARG A 44 -20.780 3.428 -8.830 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -19.204 0.875 -6.959 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -19.000 -0.182 -8.360 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -20.511 2.065 -10.618 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -19.736 0.489 -10.422 1.00 0.00 H new ATOM 794 N LEU A 45 -22.277 4.576 -2.501 1.00 0.00 N ATOM 795 CA LEU A 45 -22.946 3.688 -1.558 1.00 0.00 C ATOM 796 C LEU A 45 -24.348 4.194 -1.235 1.00 0.00 C ATOM 797 O LEU A 45 -25.300 3.417 -1.163 1.00 0.00 O ATOM 798 CB LEU A 45 -22.128 3.563 -0.271 1.00 0.00 C ATOM 799 CG LEU A 45 -21.041 2.488 -0.296 1.00 0.00 C ATOM 800 CD1 LEU A 45 -21.664 1.102 -0.333 1.00 0.00 C ATOM 801 CD2 LEU A 45 -20.117 2.692 -1.488 1.00 0.00 C ATOM 0 H LEU A 45 -21.583 5.194 -2.080 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.031 2.706 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.661 4.525 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.808 3.351 0.554 1.00 0.00 H new ATOM 0 HG LEU A 45 -20.449 2.574 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -20.876 0.349 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.284 0.958 0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -22.280 1.004 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -19.349 1.918 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -20.695 2.633 -2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -19.644 3.672 -1.418 1.00 0.00 H new ATOM 813 N GLN A 46 -24.468 5.504 -1.044 1.00 0.00 N ATOM 814 CA GLN A 46 -25.754 6.119 -0.732 1.00 0.00 C ATOM 815 C GLN A 46 -26.007 7.331 -1.625 1.00 0.00 C ATOM 816 O GLN A 46 -25.866 8.474 -1.193 1.00 0.00 O ATOM 817 CB GLN A 46 -25.799 6.530 0.743 1.00 0.00 C ATOM 818 CG GLN A 46 -26.745 5.683 1.580 1.00 0.00 C ATOM 819 CD GLN A 46 -26.130 5.248 2.896 1.00 0.00 C ATOM 820 OE1 GLN A 46 -24.911 5.134 3.017 1.00 0.00 O ATOM 821 NE2 GLN A 46 -26.975 5.004 3.892 1.00 0.00 N ATOM 0 H GLN A 46 -23.690 6.161 -1.100 1.00 0.00 H new ATOM 0 HA GLN A 46 -26.539 5.386 -0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -24.795 6.461 1.162 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -26.102 7.575 0.812 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -27.655 6.250 1.778 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -27.037 4.801 1.010 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -27.979 5.111 3.747 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -26.620 4.709 4.802 1.00 0.00 H new ATOM 830 N PRO A 47 -26.391 7.093 -2.893 1.00 0.00 N ATOM 831 CA PRO A 47 -26.666 8.170 -3.849 1.00 0.00 C ATOM 832 C PRO A 47 -27.871 9.009 -3.440 1.00 0.00 C ATOM 833 O PRO A 47 -27.965 10.188 -3.784 1.00 0.00 O ATOM 834 CB PRO A 47 -26.951 7.427 -5.159 1.00 0.00 C ATOM 835 CG PRO A 47 -27.360 6.057 -4.741 1.00 0.00 C ATOM 836 CD PRO A 47 -26.586 5.760 -3.489 1.00 0.00 C ATOM 0 HA PRO A 47 -25.836 8.873 -3.918 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -27.740 7.918 -5.728 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -26.068 7.398 -5.797 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -28.433 6.009 -4.557 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -27.137 5.328 -5.520 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -27.137 5.097 -2.822 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.636 5.274 -3.708 1.00 0.00 H new ATOM 844 N GLY A 48 -28.788 8.396 -2.701 1.00 0.00 N ATOM 845 CA GLY A 48 -29.974 9.101 -2.255 1.00 0.00 C ATOM 846 C GLY A 48 -29.795 9.746 -0.892 1.00 0.00 C ATOM 847 O GLY A 48 -30.733 10.331 -0.350 1.00 0.00 O ATOM 0 H GLY A 48 -28.731 7.422 -2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.231 9.869 -2.985 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -30.812 8.405 -2.216 1.00 0.00 H new ATOM 851 N LEU A 49 -28.592 9.643 -0.334 1.00 0.00 N ATOM 852 CA LEU A 49 -28.306 10.224 0.973 1.00 0.00 C ATOM 853 C LEU A 49 -26.955 10.935 0.975 1.00 0.00 C ATOM 854 O LEU A 49 -26.292 11.024 2.008 1.00 0.00 O ATOM 855 CB LEU A 49 -28.327 9.139 2.052 1.00 0.00 C ATOM 856 CG LEU A 49 -29.672 8.946 2.752 1.00 0.00 C ATOM 857 CD1 LEU A 49 -29.784 7.540 3.321 1.00 0.00 C ATOM 858 CD2 LEU A 49 -29.854 9.986 3.849 1.00 0.00 C ATOM 0 H LEU A 49 -27.802 9.164 -0.766 1.00 0.00 H new ATOM 0 HA LEU A 49 -29.080 10.960 1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -28.032 8.193 1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -27.575 9.381 2.803 1.00 0.00 H new ATOM 0 HG LEU A 49 -30.465 9.079 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -30.749 7.423 3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -29.700 6.813 2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -28.984 7.375 4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -30.817 9.835 4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -29.055 9.884 4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -29.821 10.984 3.413 1.00 0.00 H new ATOM 870 N LEU A 50 -26.551 11.442 -0.187 1.00 0.00 N ATOM 871 CA LEU A 50 -25.278 12.143 -0.310 1.00 0.00 C ATOM 872 C LEU A 50 -25.388 13.316 -1.279 1.00 0.00 C ATOM 873 O LEU A 50 -26.332 13.403 -2.065 1.00 0.00 O ATOM 874 CB LEU A 50 -24.184 11.180 -0.780 1.00 0.00 C ATOM 875 CG LEU A 50 -23.276 10.639 0.327 1.00 0.00 C ATOM 876 CD1 LEU A 50 -22.686 11.782 1.142 1.00 0.00 C ATOM 877 CD2 LEU A 50 -24.043 9.678 1.225 1.00 0.00 C ATOM 0 H LEU A 50 -27.085 11.380 -1.054 1.00 0.00 H new ATOM 0 HA LEU A 50 -25.014 12.533 0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -24.656 10.338 -1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -23.566 11.690 -1.519 1.00 0.00 H new ATOM 0 HG LEU A 50 -22.455 10.092 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -22.043 11.377 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -22.100 12.429 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -23.492 12.358 1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -23.381 9.303 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -24.884 10.199 1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -24.413 8.842 0.631 1.00 0.00 H new ATOM 889 N GLU A 51 -24.412 14.215 -1.218 1.00 0.00 N ATOM 890 CA GLU A 51 -24.386 15.385 -2.088 1.00 0.00 C ATOM 891 C GLU A 51 -22.946 15.781 -2.411 1.00 0.00 C ATOM 892 O GLU A 51 -22.484 16.853 -2.023 1.00 0.00 O ATOM 893 CB GLU A 51 -25.117 16.556 -1.427 1.00 0.00 C ATOM 894 CG GLU A 51 -26.622 16.363 -1.337 1.00 0.00 C ATOM 895 CD GLU A 51 -27.325 16.637 -2.651 1.00 0.00 C ATOM 896 OE1 GLU A 51 -26.750 16.312 -3.711 1.00 0.00 O ATOM 897 OE2 GLU A 51 -28.450 17.179 -2.620 1.00 0.00 O ATOM 0 H GLU A 51 -23.625 14.155 -0.572 1.00 0.00 H new ATOM 0 HA GLU A 51 -24.895 15.132 -3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -24.718 16.702 -0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -24.909 17.467 -1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -26.835 15.342 -1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -27.024 17.024 -0.569 1.00 0.00 H new ATOM 904 N PRO A 52 -22.216 14.910 -3.131 1.00 0.00 N ATOM 905 CA PRO A 52 -20.821 15.164 -3.507 1.00 0.00 C ATOM 906 C PRO A 52 -20.650 16.478 -4.260 1.00 0.00 C ATOM 907 O PRO A 52 -19.821 17.310 -3.894 1.00 0.00 O ATOM 908 CB PRO A 52 -20.459 13.977 -4.412 1.00 0.00 C ATOM 909 CG PRO A 52 -21.760 13.350 -4.784 1.00 0.00 C ATOM 910 CD PRO A 52 -22.687 13.612 -3.634 1.00 0.00 C ATOM 0 HA PRO A 52 -20.181 15.253 -2.629 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.916 14.309 -5.297 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.816 13.268 -3.891 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -22.151 13.780 -5.706 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -21.643 12.280 -4.955 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -23.728 13.655 -3.954 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -22.619 12.834 -2.874 1.00 0.00 H new ATOM 918 N SER A 53 -21.437 16.657 -5.314 1.00 0.00 N ATOM 919 CA SER A 53 -21.368 17.873 -6.120 1.00 0.00 C ATOM 920 C SER A 53 -21.526 19.116 -5.248 1.00 0.00 C ATOM 921 O SER A 53 -20.994 20.180 -5.565 1.00 0.00 O ATOM 922 CB SER A 53 -22.449 17.854 -7.201 1.00 0.00 C ATOM 923 OG SER A 53 -21.943 17.331 -8.419 1.00 0.00 O ATOM 0 H SER A 53 -22.129 15.978 -5.631 1.00 0.00 H new ATOM 0 HA SER A 53 -20.388 17.908 -6.595 1.00 0.00 H new ATOM 0 HB2 SER A 53 -23.293 17.251 -6.865 1.00 0.00 H new ATOM 0 HB3 SER A 53 -22.824 18.865 -7.363 1.00 0.00 H new ATOM 0 HG SER A 53 -22.654 17.328 -9.094 1.00 0.00 H new ATOM 929 N GLU A 54 -22.264 18.974 -4.152 1.00 0.00 N ATOM 930 CA GLU A 54 -22.492 20.087 -3.238 1.00 0.00 C ATOM 931 C GLU A 54 -21.227 20.432 -2.456 1.00 0.00 C ATOM 932 O GLU A 54 -20.824 21.591 -2.396 1.00 0.00 O ATOM 933 CB GLU A 54 -23.624 19.748 -2.266 1.00 0.00 C ATOM 934 CG GLU A 54 -24.070 20.927 -1.416 1.00 0.00 C ATOM 935 CD GLU A 54 -25.315 20.623 -0.606 1.00 0.00 C ATOM 936 OE1 GLU A 54 -26.046 19.678 -0.970 1.00 0.00 O ATOM 937 OE2 GLU A 54 -25.560 21.331 0.395 1.00 0.00 O ATOM 0 H GLU A 54 -22.713 18.101 -3.876 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.773 20.956 -3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -24.478 19.375 -2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.299 18.940 -1.610 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -23.262 21.210 -0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.261 21.784 -2.062 1.00 0.00 H new ATOM 944 N LEU A 55 -20.607 19.420 -1.860 1.00 0.00 N ATOM 945 CA LEU A 55 -19.389 19.618 -1.078 1.00 0.00 C ATOM 946 C LEU A 55 -18.141 19.627 -1.961 1.00 0.00 C ATOM 947 O LEU A 55 -17.046 19.940 -1.498 1.00 0.00 O ATOM 948 CB LEU A 55 -19.262 18.526 -0.014 1.00 0.00 C ATOM 949 CG LEU A 55 -20.189 18.685 1.192 1.00 0.00 C ATOM 950 CD1 LEU A 55 -19.957 20.028 1.868 1.00 0.00 C ATOM 951 CD2 LEU A 55 -21.643 18.546 0.767 1.00 0.00 C ATOM 0 H LEU A 55 -20.927 18.452 -1.903 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.465 20.593 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.460 17.561 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.231 18.503 0.340 1.00 0.00 H new ATOM 0 HG LEU A 55 -19.962 17.895 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -20.625 20.125 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -18.923 20.091 2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.157 20.832 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.289 18.662 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -21.882 19.315 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -21.801 17.562 0.326 1.00 0.00 H new ATOM 963 N GLN A 56 -18.309 19.266 -3.228 1.00 0.00 N ATOM 964 CA GLN A 56 -17.193 19.214 -4.165 1.00 0.00 C ATOM 965 C GLN A 56 -16.530 20.576 -4.334 1.00 0.00 C ATOM 966 O GLN A 56 -15.307 20.666 -4.451 1.00 0.00 O ATOM 967 CB GLN A 56 -17.676 18.698 -5.521 1.00 0.00 C ATOM 968 CG GLN A 56 -16.575 18.588 -6.564 1.00 0.00 C ATOM 969 CD GLN A 56 -17.022 19.055 -7.935 1.00 0.00 C ATOM 970 OE1 GLN A 56 -17.539 18.273 -8.732 1.00 0.00 O ATOM 971 NE2 GLN A 56 -16.824 20.339 -8.216 1.00 0.00 N ATOM 0 H GLN A 56 -19.209 19.005 -3.631 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.448 18.532 -3.756 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.133 17.718 -5.384 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.454 19.363 -5.896 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -15.717 19.179 -6.245 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -16.242 17.552 -6.628 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -16.392 20.952 -7.525 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -17.105 20.712 -9.123 1.00 0.00 H new ATOM 980 N GLY A 57 -17.333 21.630 -4.355 1.00 0.00 N ATOM 981 CA GLY A 57 -16.787 22.965 -4.522 1.00 0.00 C ATOM 982 C GLY A 57 -17.009 23.849 -3.309 1.00 0.00 C ATOM 983 O GLY A 57 -16.249 24.790 -3.076 1.00 0.00 O ATOM 0 H GLY A 57 -18.348 21.587 -4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.718 22.893 -4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -17.243 23.432 -5.395 1.00 0.00 H new ATOM 987 N LEU A 58 -18.050 23.553 -2.538 1.00 0.00 N ATOM 988 CA LEU A 58 -18.366 24.331 -1.347 1.00 0.00 C ATOM 989 C LEU A 58 -17.135 24.525 -0.468 1.00 0.00 C ATOM 990 O LEU A 58 -16.976 25.565 0.171 1.00 0.00 O ATOM 991 CB LEU A 58 -19.479 23.650 -0.552 1.00 0.00 C ATOM 992 CG LEU A 58 -20.827 24.363 -0.611 1.00 0.00 C ATOM 993 CD1 LEU A 58 -21.495 24.138 -1.959 1.00 0.00 C ATOM 994 CD2 LEU A 58 -21.728 23.897 0.522 1.00 0.00 C ATOM 0 H LEU A 58 -18.690 22.779 -2.717 1.00 0.00 H new ATOM 0 HA LEU A 58 -18.707 25.315 -1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.604 22.633 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.169 23.573 0.490 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.655 25.433 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.455 24.655 -1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -20.856 24.527 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -21.654 23.071 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.684 24.416 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.893 22.823 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -21.254 24.117 1.478 1.00 0.00 H new ATOM 1006 N GLY A 59 -16.267 23.521 -0.442 1.00 0.00 N ATOM 1007 CA GLY A 59 -15.062 23.614 0.364 1.00 0.00 C ATOM 1008 C GLY A 59 -14.432 22.263 0.639 1.00 0.00 C ATOM 1009 O GLY A 59 -15.109 21.236 0.613 1.00 0.00 O ATOM 0 H GLY A 59 -16.373 22.649 -0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.338 24.250 -0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.301 24.098 1.311 1.00 0.00 H new ATOM 1013 N ALA A 60 -13.131 22.268 0.905 1.00 0.00 N ATOM 1014 CA ALA A 60 -12.400 21.040 1.189 1.00 0.00 C ATOM 1015 C ALA A 60 -12.637 20.581 2.624 1.00 0.00 C ATOM 1016 O ALA A 60 -13.056 19.450 2.866 1.00 0.00 O ATOM 1017 CB ALA A 60 -10.914 21.242 0.937 1.00 0.00 C ATOM 0 H ALA A 60 -12.559 23.112 0.930 1.00 0.00 H new ATOM 0 HA ALA A 60 -12.769 20.262 0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.379 20.317 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.756 21.518 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.540 22.036 1.583 1.00 0.00 H new ATOM 1023 N LEU A 61 -12.363 21.471 3.573 1.00 0.00 N ATOM 1024 CA LEU A 61 -12.543 21.164 4.988 1.00 0.00 C ATOM 1025 C LEU A 61 -13.990 20.777 5.282 1.00 0.00 C ATOM 1026 O LEU A 61 -14.250 19.861 6.063 1.00 0.00 O ATOM 1027 CB LEU A 61 -12.138 22.362 5.849 1.00 0.00 C ATOM 1028 CG LEU A 61 -10.807 23.014 5.471 1.00 0.00 C ATOM 1029 CD1 LEU A 61 -10.470 24.140 6.437 1.00 0.00 C ATOM 1030 CD2 LEU A 61 -9.693 21.978 5.450 1.00 0.00 C ATOM 0 H LEU A 61 -12.015 22.412 3.387 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.902 20.317 5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -12.924 23.115 5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.085 22.040 6.889 1.00 0.00 H new ATOM 0 HG LEU A 61 -10.903 23.437 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.520 24.592 6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -11.255 24.895 6.404 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.393 23.741 7.448 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.753 22.460 5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.598 21.526 6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.929 21.205 4.718 1.00 0.00 H new ATOM 1042 N GLU A 62 -14.925 21.481 4.654 1.00 0.00 N ATOM 1043 CA GLU A 62 -16.344 21.211 4.849 1.00 0.00 C ATOM 1044 C GLU A 62 -16.742 19.884 4.211 1.00 0.00 C ATOM 1045 O GLU A 62 -17.542 19.131 4.764 1.00 0.00 O ATOM 1046 CB GLU A 62 -17.186 22.349 4.265 1.00 0.00 C ATOM 1047 CG GLU A 62 -17.735 23.300 5.317 1.00 0.00 C ATOM 1048 CD GLU A 62 -19.201 23.623 5.104 1.00 0.00 C ATOM 1049 OE1 GLU A 62 -20.055 22.814 5.520 1.00 0.00 O ATOM 1050 OE2 GLU A 62 -19.495 24.688 4.520 1.00 0.00 O ATOM 0 H GLU A 62 -14.726 22.243 4.006 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.531 21.144 5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.578 22.914 3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.017 21.924 3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.604 22.858 6.305 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.157 24.224 5.303 1.00 0.00 H new ATOM 1057 N ALA A 63 -16.178 19.603 3.038 1.00 0.00 N ATOM 1058 CA ALA A 63 -16.478 18.366 2.326 1.00 0.00 C ATOM 1059 C ALA A 63 -16.018 17.148 3.118 1.00 0.00 C ATOM 1060 O ALA A 63 -16.737 16.154 3.220 1.00 0.00 O ATOM 1061 CB ALA A 63 -15.823 18.380 0.953 1.00 0.00 C ATOM 0 H ALA A 63 -15.513 20.214 2.563 1.00 0.00 H new ATOM 0 HA ALA A 63 -17.559 18.299 2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.054 17.452 0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.202 19.224 0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.743 18.474 1.066 1.00 0.00 H new ATOM 1067 N THR A 64 -14.817 17.232 3.680 1.00 0.00 N ATOM 1068 CA THR A 64 -14.262 16.134 4.464 1.00 0.00 C ATOM 1069 C THR A 64 -15.052 15.931 5.752 1.00 0.00 C ATOM 1070 O THR A 64 -15.463 14.816 6.069 1.00 0.00 O ATOM 1071 CB THR A 64 -12.793 16.405 4.790 1.00 0.00 C ATOM 1072 OG1 THR A 64 -12.117 16.928 3.659 1.00 0.00 O ATOM 1073 CG2 THR A 64 -12.043 15.171 5.242 1.00 0.00 C ATOM 0 H THR A 64 -14.209 18.048 3.608 1.00 0.00 H new ATOM 0 HA THR A 64 -14.333 15.223 3.869 1.00 0.00 H new ATOM 0 HB THR A 64 -12.806 17.123 5.610 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.375 17.864 3.528 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.007 15.433 5.457 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.510 14.770 6.142 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.071 14.419 4.453 1.00 0.00 H new ATOM 1081 N ALA A 65 -15.258 17.016 6.492 1.00 0.00 N ATOM 1082 CA ALA A 65 -15.995 16.955 7.748 1.00 0.00 C ATOM 1083 C ALA A 65 -17.443 16.532 7.521 1.00 0.00 C ATOM 1084 O ALA A 65 -17.981 15.708 8.257 1.00 0.00 O ATOM 1085 CB ALA A 65 -15.942 18.301 8.456 1.00 0.00 C ATOM 0 H ALA A 65 -14.925 17.947 6.243 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.522 16.203 8.380 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.496 18.242 9.393 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -14.904 18.562 8.664 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.387 19.065 7.819 1.00 0.00 H new ATOM 1091 N TRP A 66 -18.067 17.103 6.495 1.00 0.00 N ATOM 1092 CA TRP A 66 -19.453 16.782 6.173 1.00 0.00 C ATOM 1093 C TRP A 66 -19.581 15.338 5.697 1.00 0.00 C ATOM 1094 O TRP A 66 -20.425 14.586 6.183 1.00 0.00 O ATOM 1095 CB TRP A 66 -19.986 17.734 5.101 1.00 0.00 C ATOM 1096 CG TRP A 66 -21.482 17.745 5.006 1.00 0.00 C ATOM 1097 CD1 TRP A 66 -22.337 18.600 5.638 1.00 0.00 C ATOM 1098 CD2 TRP A 66 -22.299 16.857 4.234 1.00 0.00 C ATOM 1099 NE1 TRP A 66 -23.636 18.299 5.307 1.00 0.00 N ATOM 1100 CE2 TRP A 66 -23.638 17.233 4.447 1.00 0.00 C ATOM 1101 CE3 TRP A 66 -22.029 15.781 3.384 1.00 0.00 C ATOM 1102 CZ2 TRP A 66 -24.703 16.571 3.839 1.00 0.00 C ATOM 1103 CZ3 TRP A 66 -23.086 15.125 2.782 1.00 0.00 C ATOM 1104 CH2 TRP A 66 -24.410 15.523 3.012 1.00 0.00 C ATOM 0 H TRP A 66 -17.636 17.788 5.874 1.00 0.00 H new ATOM 0 HA TRP A 66 -20.046 16.901 7.080 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -19.635 18.744 5.315 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -19.570 17.450 4.134 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -22.036 19.397 6.302 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -24.464 18.789 5.646 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -21.012 15.468 3.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -25.724 16.875 4.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -22.889 14.292 2.124 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -25.215 14.991 2.526 1.00 0.00 H new ATOM 1115 N ALA A 67 -18.738 14.960 4.742 1.00 0.00 N ATOM 1116 CA ALA A 67 -18.756 13.608 4.198 1.00 0.00 C ATOM 1117 C ALA A 67 -18.396 12.582 5.266 1.00 0.00 C ATOM 1118 O ALA A 67 -18.986 11.503 5.328 1.00 0.00 O ATOM 1119 CB ALA A 67 -17.801 13.502 3.019 1.00 0.00 C ATOM 0 H ALA A 67 -18.034 15.571 4.329 1.00 0.00 H new ATOM 0 HA ALA A 67 -19.768 13.395 3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -17.824 12.487 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.104 14.203 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -16.789 13.740 3.348 1.00 0.00 H new ATOM 1125 N LEU A 68 -17.422 12.922 6.105 1.00 0.00 N ATOM 1126 CA LEU A 68 -16.984 12.027 7.168 1.00 0.00 C ATOM 1127 C LEU A 68 -18.084 11.826 8.206 1.00 0.00 C ATOM 1128 O LEU A 68 -18.299 10.711 8.686 1.00 0.00 O ATOM 1129 CB LEU A 68 -15.727 12.578 7.843 1.00 0.00 C ATOM 1130 CG LEU A 68 -14.417 12.291 7.106 1.00 0.00 C ATOM 1131 CD1 LEU A 68 -13.264 13.039 7.757 1.00 0.00 C ATOM 1132 CD2 LEU A 68 -14.139 10.795 7.082 1.00 0.00 C ATOM 0 H LEU A 68 -16.922 13.810 6.068 1.00 0.00 H new ATOM 0 HA LEU A 68 -16.755 11.061 6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -15.835 13.657 7.953 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -15.660 12.160 8.848 1.00 0.00 H new ATOM 0 HG LEU A 68 -14.514 12.640 6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.341 12.823 7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.461 14.111 7.724 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.163 12.720 8.794 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.204 10.607 6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.060 10.423 8.104 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -14.953 10.282 6.571 1.00 0.00 H new ATOM 1144 N LYS A 69 -18.776 12.908 8.551 1.00 0.00 N ATOM 1145 CA LYS A 69 -19.849 12.842 9.535 1.00 0.00 C ATOM 1146 C LYS A 69 -21.041 12.058 8.991 1.00 0.00 C ATOM 1147 O LYS A 69 -21.565 11.168 9.659 1.00 0.00 O ATOM 1148 CB LYS A 69 -20.286 14.253 9.936 1.00 0.00 C ATOM 1149 CG LYS A 69 -19.818 14.662 11.323 1.00 0.00 C ATOM 1150 CD LYS A 69 -20.683 15.772 11.899 1.00 0.00 C ATOM 1151 CE LYS A 69 -20.983 15.539 13.371 1.00 0.00 C ATOM 1152 NZ LYS A 69 -22.320 16.068 13.756 1.00 0.00 N ATOM 0 H LYS A 69 -18.613 13.838 8.165 1.00 0.00 H new ATOM 0 HA LYS A 69 -19.471 12.323 10.416 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -19.900 14.965 9.207 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -21.374 14.313 9.896 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -19.844 13.798 11.986 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -18.781 14.995 11.275 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -20.177 16.729 11.777 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -21.618 15.833 11.341 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -20.940 14.471 13.586 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -20.215 16.018 13.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -22.486 15.889 14.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -22.354 17.092 13.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -23.056 15.593 13.195 1.00 0.00 H new ATOM 1166 N VAL A 70 -21.460 12.394 7.774 1.00 0.00 N ATOM 1167 CA VAL A 70 -22.586 11.715 7.143 1.00 0.00 C ATOM 1168 C VAL A 70 -22.233 10.275 6.799 1.00 0.00 C ATOM 1169 O VAL A 70 -23.045 9.368 6.978 1.00 0.00 O ATOM 1170 CB VAL A 70 -23.040 12.445 5.864 1.00 0.00 C ATOM 1171 CG1 VAL A 70 -23.562 13.833 6.197 1.00 0.00 C ATOM 1172 CG2 VAL A 70 -21.901 12.522 4.858 1.00 0.00 C ATOM 0 H VAL A 70 -21.038 13.130 7.207 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.405 11.723 7.862 1.00 0.00 H new ATOM 0 HB VAL A 70 -23.853 11.876 5.413 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -23.878 14.332 5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.411 13.749 6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -22.772 14.414 6.673 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -22.241 13.041 3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -21.064 13.066 5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.580 11.514 4.594 1.00 0.00 H new ATOM 1182 N ALA A 71 -21.013 10.068 6.313 1.00 0.00 N ATOM 1183 CA ALA A 71 -20.553 8.731 5.954 1.00 0.00 C ATOM 1184 C ALA A 71 -20.691 7.790 7.142 1.00 0.00 C ATOM 1185 O ALA A 71 -21.150 6.657 7.005 1.00 0.00 O ATOM 1186 CB ALA A 71 -19.111 8.777 5.475 1.00 0.00 C ATOM 0 H ALA A 71 -20.327 10.807 6.159 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.173 8.355 5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.783 7.772 5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.039 9.424 4.600 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.476 9.169 6.270 1.00 0.00 H new ATOM 1192 N GLU A 72 -20.299 8.281 8.312 1.00 0.00 N ATOM 1193 CA GLU A 72 -20.386 7.502 9.537 1.00 0.00 C ATOM 1194 C GLU A 72 -21.842 7.314 9.946 1.00 0.00 C ATOM 1195 O GLU A 72 -22.228 6.261 10.449 1.00 0.00 O ATOM 1196 CB GLU A 72 -19.610 8.189 10.662 1.00 0.00 C ATOM 1197 CG GLU A 72 -19.656 7.438 11.983 1.00 0.00 C ATOM 1198 CD GLU A 72 -19.038 8.225 13.122 1.00 0.00 C ATOM 1199 OE1 GLU A 72 -19.305 9.441 13.218 1.00 0.00 O ATOM 1200 OE2 GLU A 72 -18.286 7.624 13.918 1.00 0.00 O ATOM 0 H GLU A 72 -19.917 9.219 8.436 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.945 6.522 9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.570 8.305 10.356 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.012 9.191 10.810 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.692 7.204 12.228 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.132 6.489 11.876 1.00 0.00 H new ATOM 1207 N ASN A 73 -22.646 8.351 9.736 1.00 0.00 N ATOM 1208 CA ASN A 73 -24.059 8.303 10.090 1.00 0.00 C ATOM 1209 C ASN A 73 -24.840 7.380 9.158 1.00 0.00 C ATOM 1210 O ASN A 73 -25.711 6.630 9.599 1.00 0.00 O ATOM 1211 CB ASN A 73 -24.660 9.709 10.047 1.00 0.00 C ATOM 1212 CG ASN A 73 -24.227 10.561 11.225 1.00 0.00 C ATOM 1213 OD1 ASN A 73 -23.972 10.048 12.315 1.00 0.00 O ATOM 1214 ND2 ASN A 73 -24.142 11.868 11.010 1.00 0.00 N ATOM 0 H ASN A 73 -22.343 9.233 9.323 1.00 0.00 H new ATOM 0 HA ASN A 73 -24.134 7.904 11.102 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.364 10.199 9.120 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -25.747 9.636 10.036 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -23.856 12.491 11.765 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -24.363 12.249 10.090 1.00 0.00 H new ATOM 1221 N GLU A 74 -24.530 7.449 7.868 1.00 0.00 N ATOM 1222 CA GLU A 74 -25.210 6.630 6.868 1.00 0.00 C ATOM 1223 C GLU A 74 -24.646 5.209 6.808 1.00 0.00 C ATOM 1224 O GLU A 74 -25.398 4.242 6.685 1.00 0.00 O ATOM 1225 CB GLU A 74 -25.106 7.289 5.490 1.00 0.00 C ATOM 1226 CG GLU A 74 -26.407 7.916 5.014 1.00 0.00 C ATOM 1227 CD GLU A 74 -26.947 8.947 5.985 1.00 0.00 C ATOM 1228 OE1 GLU A 74 -27.575 8.548 6.988 1.00 0.00 O ATOM 1229 OE2 GLU A 74 -26.741 10.155 5.741 1.00 0.00 O ATOM 0 H GLU A 74 -23.811 8.065 7.488 1.00 0.00 H new ATOM 0 HA GLU A 74 -26.257 6.558 7.163 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.333 8.057 5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.785 6.543 4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -26.246 8.386 4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -27.152 7.133 4.870 1.00 0.00 H new ATOM 1236 N LEU A 75 -23.324 5.090 6.868 1.00 0.00 N ATOM 1237 CA LEU A 75 -22.672 3.784 6.787 1.00 0.00 C ATOM 1238 C LEU A 75 -22.340 3.218 8.169 1.00 0.00 C ATOM 1239 O LEU A 75 -22.529 2.028 8.418 1.00 0.00 O ATOM 1240 CB LEU A 75 -21.395 3.886 5.951 1.00 0.00 C ATOM 1241 CG LEU A 75 -21.157 2.719 4.991 1.00 0.00 C ATOM 1242 CD1 LEU A 75 -20.096 3.081 3.964 1.00 0.00 C ATOM 1243 CD2 LEU A 75 -20.753 1.470 5.761 1.00 0.00 C ATOM 0 H LEU A 75 -22.684 5.877 6.972 1.00 0.00 H new ATOM 0 HA LEU A 75 -23.374 3.100 6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -21.429 4.810 5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -20.542 3.962 6.625 1.00 0.00 H new ATOM 0 HG LEU A 75 -22.088 2.511 4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -19.940 2.239 3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -20.425 3.948 3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -19.161 3.316 4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -20.588 0.650 5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -19.835 1.665 6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -21.547 1.199 6.457 1.00 0.00 H new ATOM 1255 N GLY A 76 -21.840 4.067 9.059 1.00 0.00 N ATOM 1256 CA GLY A 76 -21.487 3.613 10.393 1.00 0.00 C ATOM 1257 C GLY A 76 -19.989 3.456 10.576 1.00 0.00 C ATOM 1258 O GLY A 76 -19.538 2.758 11.484 1.00 0.00 O ATOM 0 H GLY A 76 -21.673 5.058 8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -21.867 4.323 11.127 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -21.976 2.659 10.590 1.00 0.00 H new ATOM 1262 N ILE A 77 -19.214 4.107 9.711 1.00 0.00 N ATOM 1263 CA ILE A 77 -17.759 4.034 9.783 1.00 0.00 C ATOM 1264 C ILE A 77 -17.187 5.217 10.555 1.00 0.00 C ATOM 1265 O ILE A 77 -17.316 6.367 10.135 1.00 0.00 O ATOM 1266 CB ILE A 77 -17.129 4.001 8.377 1.00 0.00 C ATOM 1267 CG1 ILE A 77 -17.829 2.959 7.503 1.00 0.00 C ATOM 1268 CG2 ILE A 77 -15.639 3.710 8.472 1.00 0.00 C ATOM 1269 CD1 ILE A 77 -17.667 1.541 8.007 1.00 0.00 C ATOM 0 H ILE A 77 -19.570 4.690 8.953 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.514 3.110 10.306 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.259 4.979 7.913 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -18.891 3.197 7.448 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -17.435 3.023 6.489 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -15.208 3.690 7.471 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.153 4.488 9.061 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.487 2.743 8.952 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -18.189 0.856 7.339 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.608 1.284 8.036 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.087 1.461 9.010 1.00 0.00 H new ATOM 1281 N THR A 78 -16.555 4.929 11.689 1.00 0.00 N ATOM 1282 CA THR A 78 -15.964 5.972 12.521 1.00 0.00 C ATOM 1283 C THR A 78 -14.680 6.510 11.892 1.00 0.00 C ATOM 1284 O THR A 78 -13.823 5.739 11.458 1.00 0.00 O ATOM 1285 CB THR A 78 -15.670 5.428 13.920 1.00 0.00 C ATOM 1286 OG1 THR A 78 -16.821 4.815 14.473 1.00 0.00 O ATOM 1287 CG2 THR A 78 -15.206 6.493 14.890 1.00 0.00 C ATOM 0 H THR A 78 -16.439 3.983 12.053 1.00 0.00 H new ATOM 0 HA THR A 78 -16.680 6.791 12.598 1.00 0.00 H new ATOM 0 HB THR A 78 -14.865 4.706 13.785 1.00 0.00 H new ATOM 0 HG1 THR A 78 -17.565 5.453 14.469 1.00 0.00 H new ATOM 0 HG21 THR A 78 -15.015 6.041 15.863 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.290 6.951 14.517 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.978 7.256 14.990 1.00 0.00 H new ATOM 1295 N PRO A 79 -14.525 7.846 11.830 1.00 0.00 N ATOM 1296 CA PRO A 79 -13.335 8.477 11.248 1.00 0.00 C ATOM 1297 C PRO A 79 -12.042 7.964 11.875 1.00 0.00 C ATOM 1298 O PRO A 79 -12.010 7.609 13.053 1.00 0.00 O ATOM 1299 CB PRO A 79 -13.525 9.963 11.558 1.00 0.00 C ATOM 1300 CG PRO A 79 -14.995 10.133 11.727 1.00 0.00 C ATOM 1301 CD PRO A 79 -15.494 8.846 12.321 1.00 0.00 C ATOM 0 HA PRO A 79 -13.242 8.261 10.184 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.987 10.250 12.462 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.145 10.587 10.749 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.218 10.977 12.380 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.477 10.334 10.770 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.513 8.887 13.410 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.508 8.618 11.993 1.00 0.00 H new ATOM 1309 N VAL A 80 -10.979 7.930 11.080 1.00 0.00 N ATOM 1310 CA VAL A 80 -9.681 7.461 11.554 1.00 0.00 C ATOM 1311 C VAL A 80 -8.660 8.597 11.587 1.00 0.00 C ATOM 1312 O VAL A 80 -7.694 8.552 12.350 1.00 0.00 O ATOM 1313 CB VAL A 80 -9.137 6.322 10.672 1.00 0.00 C ATOM 1314 CG1 VAL A 80 -7.901 5.698 11.303 1.00 0.00 C ATOM 1315 CG2 VAL A 80 -10.212 5.271 10.436 1.00 0.00 C ATOM 0 H VAL A 80 -10.990 8.222 10.103 1.00 0.00 H new ATOM 0 HA VAL A 80 -9.834 7.085 12.566 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.850 6.740 9.707 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.532 4.895 10.664 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.127 6.457 11.415 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.157 5.294 12.282 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.810 4.474 9.811 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.532 4.856 11.392 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.065 5.729 9.936 1.00 0.00 H new ATOM 1325 N VAL A 81 -8.879 9.614 10.760 1.00 0.00 N ATOM 1326 CA VAL A 81 -7.978 10.758 10.701 1.00 0.00 C ATOM 1327 C VAL A 81 -8.758 12.068 10.706 1.00 0.00 C ATOM 1328 O VAL A 81 -9.939 12.100 10.361 1.00 0.00 O ATOM 1329 CB VAL A 81 -7.090 10.708 9.443 1.00 0.00 C ATOM 1330 CG1 VAL A 81 -6.026 11.794 9.495 1.00 0.00 C ATOM 1331 CG2 VAL A 81 -6.453 9.333 9.294 1.00 0.00 C ATOM 0 H VAL A 81 -9.673 9.669 10.122 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.344 10.710 11.586 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.717 10.890 8.570 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.409 11.742 8.598 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.506 12.771 9.550 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.400 11.648 10.375 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.829 9.316 8.400 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.839 9.120 10.169 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.234 8.578 9.206 1.00 0.00 H new ATOM 1341 N SER A 82 -8.091 13.149 11.098 1.00 0.00 N ATOM 1342 CA SER A 82 -8.726 14.460 11.148 1.00 0.00 C ATOM 1343 C SER A 82 -8.877 15.046 9.747 1.00 0.00 C ATOM 1344 O SER A 82 -8.124 14.704 8.837 1.00 0.00 O ATOM 1345 CB SER A 82 -7.911 15.411 12.024 1.00 0.00 C ATOM 1346 OG SER A 82 -8.724 16.450 12.546 1.00 0.00 O ATOM 0 H SER A 82 -7.112 13.142 11.385 1.00 0.00 H new ATOM 0 HA SER A 82 -9.719 14.338 11.581 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.456 14.855 12.844 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.097 15.841 11.440 1.00 0.00 H new ATOM 0 HG SER A 82 -8.179 17.043 13.104 1.00 0.00 H new ATOM 1352 N ALA A 83 -9.857 15.931 9.584 1.00 0.00 N ATOM 1353 CA ALA A 83 -10.106 16.563 8.293 1.00 0.00 C ATOM 1354 C ALA A 83 -8.898 17.375 7.838 1.00 0.00 C ATOM 1355 O ALA A 83 -8.507 17.323 6.672 1.00 0.00 O ATOM 1356 CB ALA A 83 -11.341 17.448 8.371 1.00 0.00 C ATOM 0 H ALA A 83 -10.490 16.226 10.328 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.280 15.778 7.557 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.516 17.914 7.401 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.205 16.843 8.645 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.187 18.222 9.123 1.00 0.00 H new ATOM 1362 N GLN A 84 -8.312 18.125 8.766 1.00 0.00 N ATOM 1363 CA GLN A 84 -7.148 18.951 8.460 1.00 0.00 C ATOM 1364 C GLN A 84 -6.021 18.110 7.864 1.00 0.00 C ATOM 1365 O GLN A 84 -5.387 18.510 6.888 1.00 0.00 O ATOM 1366 CB GLN A 84 -6.654 19.660 9.723 1.00 0.00 C ATOM 1367 CG GLN A 84 -7.719 20.508 10.402 1.00 0.00 C ATOM 1368 CD GLN A 84 -8.180 21.665 9.536 1.00 0.00 C ATOM 1369 OE1 GLN A 84 -9.020 21.498 8.653 1.00 0.00 O ATOM 1370 NE2 GLN A 84 -7.631 22.848 9.788 1.00 0.00 N ATOM 0 H GLN A 84 -8.624 18.178 9.736 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.449 19.697 7.724 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.291 18.914 10.430 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.806 20.295 9.465 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -8.575 19.880 10.650 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.325 20.896 11.342 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.938 22.941 10.530 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.903 23.664 9.239 1.00 0.00 H new ATOM 1379 N ALA A 85 -5.780 16.948 8.459 1.00 0.00 N ATOM 1380 CA ALA A 85 -4.731 16.052 7.988 1.00 0.00 C ATOM 1381 C ALA A 85 -5.073 15.476 6.618 1.00 0.00 C ATOM 1382 O ALA A 85 -4.206 15.347 5.755 1.00 0.00 O ATOM 1383 CB ALA A 85 -4.505 14.931 8.992 1.00 0.00 C ATOM 0 H ALA A 85 -6.297 16.604 9.268 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.812 16.630 7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.719 14.269 8.628 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.206 15.356 9.950 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.427 14.364 9.118 1.00 0.00 H new ATOM 1389 N VAL A 86 -6.342 15.131 6.426 1.00 0.00 N ATOM 1390 CA VAL A 86 -6.798 14.567 5.162 1.00 0.00 C ATOM 1391 C VAL A 86 -6.640 15.569 4.023 1.00 0.00 C ATOM 1392 O VAL A 86 -6.069 15.253 2.979 1.00 0.00 O ATOM 1393 CB VAL A 86 -8.271 14.126 5.244 1.00 0.00 C ATOM 1394 CG1 VAL A 86 -8.685 13.401 3.971 1.00 0.00 C ATOM 1395 CG2 VAL A 86 -8.500 13.246 6.464 1.00 0.00 C ATOM 0 H VAL A 86 -7.073 15.232 7.130 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.176 13.695 4.962 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.891 15.017 5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.729 13.097 4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.563 14.067 3.117 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.060 12.519 3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.547 12.945 6.504 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.870 12.359 6.397 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.248 13.803 7.367 1.00 0.00 H new ATOM 1405 N VAL A 87 -7.153 16.778 4.229 1.00 0.00 N ATOM 1406 CA VAL A 87 -7.070 17.827 3.218 1.00 0.00 C ATOM 1407 C VAL A 87 -5.621 18.208 2.935 1.00 0.00 C ATOM 1408 O VAL A 87 -5.266 18.547 1.806 1.00 0.00 O ATOM 1409 CB VAL A 87 -7.841 19.088 3.652 1.00 0.00 C ATOM 1410 CG1 VAL A 87 -7.902 20.097 2.516 1.00 0.00 C ATOM 1411 CG2 VAL A 87 -9.241 18.722 4.128 1.00 0.00 C ATOM 0 H VAL A 87 -7.630 17.056 5.086 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.522 17.425 2.311 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.308 19.547 4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.451 20.980 2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.890 20.384 2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.409 19.651 1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.770 19.626 4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.785 18.236 3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.170 18.042 4.977 1.00 0.00 H new ATOM 1421 N ALA A 88 -4.787 18.150 3.967 1.00 0.00 N ATOM 1422 CA ALA A 88 -3.376 18.490 3.832 1.00 0.00 C ATOM 1423 C ALA A 88 -2.558 17.303 3.323 1.00 0.00 C ATOM 1424 O ALA A 88 -1.410 17.463 2.914 1.00 0.00 O ATOM 1425 CB ALA A 88 -2.823 18.979 5.162 1.00 0.00 C ATOM 0 H ALA A 88 -5.064 17.870 4.908 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.295 19.289 3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.768 19.230 5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.374 19.864 5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.930 18.195 5.911 1.00 0.00 H new ATOM 1431 N GLY A 89 -3.155 16.115 3.350 1.00 0.00 N ATOM 1432 CA GLY A 89 -2.460 14.928 2.887 1.00 0.00 C ATOM 1433 C GLY A 89 -1.242 14.604 3.729 1.00 0.00 C ATOM 1434 O GLY A 89 -0.251 14.076 3.222 1.00 0.00 O ATOM 0 H GLY A 89 -4.105 15.954 3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.145 14.080 2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.154 15.071 1.851 1.00 0.00 H new ATOM 1438 N SER A 90 -1.314 14.920 5.018 1.00 0.00 N ATOM 1439 CA SER A 90 -0.208 14.658 5.932 1.00 0.00 C ATOM 1440 C SER A 90 -0.486 13.421 6.780 1.00 0.00 C ATOM 1441 O SER A 90 -0.125 13.370 7.955 1.00 0.00 O ATOM 1442 CB SER A 90 0.031 15.869 6.836 1.00 0.00 C ATOM 1443 OG SER A 90 -1.058 16.069 7.720 1.00 0.00 O ATOM 0 H SER A 90 -2.126 15.358 5.453 1.00 0.00 H new ATOM 0 HA SER A 90 0.688 14.475 5.338 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.947 15.724 7.409 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.176 16.760 6.225 1.00 0.00 H new ATOM 0 HG SER A 90 -0.880 16.848 8.288 1.00 0.00 H new ATOM 1449 N ASP A 91 -1.128 12.427 6.176 1.00 0.00 N ATOM 1450 CA ASP A 91 -1.453 11.191 6.877 1.00 0.00 C ATOM 1451 C ASP A 91 -1.668 10.045 5.888 1.00 0.00 C ATOM 1452 O ASP A 91 -2.791 9.577 5.700 1.00 0.00 O ATOM 1453 CB ASP A 91 -2.701 11.385 7.746 1.00 0.00 C ATOM 1454 CG ASP A 91 -2.386 11.341 9.228 1.00 0.00 C ATOM 1455 OD1 ASP A 91 -2.029 12.396 9.792 1.00 0.00 O ATOM 1456 OD2 ASP A 91 -2.496 10.249 9.825 1.00 0.00 O ATOM 0 H ASP A 91 -1.433 12.453 5.203 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.613 10.933 7.521 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.164 12.342 7.504 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.429 10.610 7.509 1.00 0.00 H new ATOM 1461 N PRO A 92 -0.588 9.576 5.242 1.00 0.00 N ATOM 1462 CA PRO A 92 -0.661 8.479 4.271 1.00 0.00 C ATOM 1463 C PRO A 92 -1.153 7.183 4.907 1.00 0.00 C ATOM 1464 O PRO A 92 -1.977 6.471 4.331 1.00 0.00 O ATOM 1465 CB PRO A 92 0.785 8.322 3.784 1.00 0.00 C ATOM 1466 CG PRO A 92 1.622 8.960 4.840 1.00 0.00 C ATOM 1467 CD PRO A 92 0.789 10.073 5.408 1.00 0.00 C ATOM 0 HA PRO A 92 -1.367 8.694 3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.046 7.271 3.655 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.931 8.807 2.819 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.892 8.240 5.613 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.553 9.343 4.422 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.027 10.261 6.455 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.947 11.009 4.872 1.00 0.00 H new ATOM 1475 N LEU A 93 -0.646 6.886 6.098 1.00 0.00 N ATOM 1476 CA LEU A 93 -1.033 5.678 6.816 1.00 0.00 C ATOM 1477 C LEU A 93 -2.512 5.720 7.190 1.00 0.00 C ATOM 1478 O LEU A 93 -3.195 4.696 7.182 1.00 0.00 O ATOM 1479 CB LEU A 93 -0.181 5.511 8.074 1.00 0.00 C ATOM 1480 CG LEU A 93 1.154 4.797 7.862 1.00 0.00 C ATOM 1481 CD1 LEU A 93 2.192 5.758 7.303 1.00 0.00 C ATOM 1482 CD2 LEU A 93 1.643 4.182 9.166 1.00 0.00 C ATOM 0 H LEU A 93 0.035 7.466 6.587 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.866 4.825 6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.015 6.497 8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.758 4.957 8.814 1.00 0.00 H new ATOM 0 HG LEU A 93 1.004 3.996 7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.135 5.231 7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.846 6.151 6.347 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.339 6.581 8.002 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.594 3.678 8.996 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.776 4.967 9.911 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.909 3.461 9.526 1.00 0.00 H new ATOM 1494 N GLY A 94 -2.998 6.911 7.519 1.00 0.00 N ATOM 1495 CA GLY A 94 -4.390 7.065 7.893 1.00 0.00 C ATOM 1496 C GLY A 94 -5.322 7.038 6.698 1.00 0.00 C ATOM 1497 O GLY A 94 -6.404 6.456 6.760 1.00 0.00 O ATOM 0 H GLY A 94 -2.452 7.773 7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.667 6.268 8.583 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.517 8.007 8.427 1.00 0.00 H new ATOM 1501 N LEU A 95 -4.904 7.672 5.605 1.00 0.00 N ATOM 1502 CA LEU A 95 -5.716 7.718 4.393 1.00 0.00 C ATOM 1503 C LEU A 95 -5.897 6.323 3.803 1.00 0.00 C ATOM 1504 O LEU A 95 -6.997 5.951 3.391 1.00 0.00 O ATOM 1505 CB LEU A 95 -5.072 8.647 3.361 1.00 0.00 C ATOM 1506 CG LEU A 95 -5.966 9.786 2.867 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -5.796 11.017 3.744 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -5.654 10.116 1.415 1.00 0.00 C ATOM 0 H LEU A 95 -4.011 8.159 5.534 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.700 8.107 4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.169 9.076 3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.761 8.051 2.503 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.005 9.461 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.440 11.817 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.069 10.773 4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.757 11.345 3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.299 10.928 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.611 10.421 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.828 9.236 0.796 1.00 0.00 H new ATOM 1520 N ILE A 96 -4.814 5.553 3.765 1.00 0.00 N ATOM 1521 CA ILE A 96 -4.862 4.199 3.226 1.00 0.00 C ATOM 1522 C ILE A 96 -5.696 3.285 4.117 1.00 0.00 C ATOM 1523 O ILE A 96 -6.472 2.465 3.628 1.00 0.00 O ATOM 1524 CB ILE A 96 -3.452 3.598 3.058 1.00 0.00 C ATOM 1525 CG1 ILE A 96 -2.666 3.688 4.368 1.00 0.00 C ATOM 1526 CG2 ILE A 96 -2.705 4.308 1.938 1.00 0.00 C ATOM 1527 CD1 ILE A 96 -2.612 2.381 5.129 1.00 0.00 C ATOM 0 H ILE A 96 -3.895 5.843 4.100 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.328 4.270 2.243 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.555 2.545 2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.649 4.015 4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.118 4.451 5.002 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.711 3.873 1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.254 4.192 1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.614 5.368 2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.040 2.518 6.047 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.624 2.062 5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.133 1.620 4.512 1.00 0.00 H new ATOM 1539 N ALA A 97 -5.532 3.434 5.429 1.00 0.00 N ATOM 1540 CA ALA A 97 -6.276 2.623 6.384 1.00 0.00 C ATOM 1541 C ALA A 97 -7.778 2.833 6.224 1.00 0.00 C ATOM 1542 O ALA A 97 -8.554 1.878 6.249 1.00 0.00 O ATOM 1543 CB ALA A 97 -5.843 2.954 7.806 1.00 0.00 C ATOM 0 H ALA A 97 -4.893 4.107 5.852 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.057 1.574 6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.406 2.341 8.510 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.778 2.750 7.919 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.034 4.008 8.009 1.00 0.00 H new ATOM 1549 N TYR A 98 -8.179 4.088 6.057 1.00 0.00 N ATOM 1550 CA TYR A 98 -9.588 4.425 5.887 1.00 0.00 C ATOM 1551 C TYR A 98 -10.152 3.761 4.635 1.00 0.00 C ATOM 1552 O TYR A 98 -11.247 3.197 4.657 1.00 0.00 O ATOM 1553 CB TYR A 98 -9.764 5.942 5.799 1.00 0.00 C ATOM 1554 CG TYR A 98 -11.087 6.432 6.347 1.00 0.00 C ATOM 1555 CD1 TYR A 98 -11.592 5.939 7.543 1.00 0.00 C ATOM 1556 CD2 TYR A 98 -11.828 7.390 5.667 1.00 0.00 C ATOM 1557 CE1 TYR A 98 -12.799 6.387 8.045 1.00 0.00 C ATOM 1558 CE2 TYR A 98 -13.037 7.841 6.163 1.00 0.00 C ATOM 1559 CZ TYR A 98 -13.517 7.337 7.352 1.00 0.00 C ATOM 1560 OH TYR A 98 -14.720 7.784 7.848 1.00 0.00 O ATOM 0 H TYR A 98 -7.548 4.889 6.036 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.135 4.055 6.754 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.953 6.426 6.344 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.676 6.250 4.757 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.033 5.194 8.089 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -11.454 7.789 4.736 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -13.178 5.994 8.977 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -13.602 8.585 5.621 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.805 7.519 8.788 1.00 0.00 H new ATOM 1570 N LEU A 99 -9.395 3.829 3.544 1.00 0.00 N ATOM 1571 CA LEU A 99 -9.816 3.230 2.282 1.00 0.00 C ATOM 1572 C LEU A 99 -10.067 1.735 2.453 1.00 0.00 C ATOM 1573 O LEU A 99 -10.957 1.168 1.818 1.00 0.00 O ATOM 1574 CB LEU A 99 -8.758 3.468 1.203 1.00 0.00 C ATOM 1575 CG LEU A 99 -9.070 4.609 0.233 1.00 0.00 C ATOM 1576 CD1 LEU A 99 -7.785 5.183 -0.347 1.00 0.00 C ATOM 1577 CD2 LEU A 99 -9.990 4.126 -0.878 1.00 0.00 C ATOM 0 H LEU A 99 -8.487 4.293 3.508 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.748 3.703 1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.805 3.675 1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.631 2.549 0.631 1.00 0.00 H new ATOM 0 HG LEU A 99 -9.581 5.400 0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.026 5.993 -1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.161 5.566 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.246 4.401 -0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -10.202 4.950 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.506 3.318 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -10.923 3.763 -0.446 1.00 0.00 H new ATOM 1589 N SER A 100 -9.277 1.105 3.317 1.00 0.00 N ATOM 1590 CA SER A 100 -9.416 -0.324 3.575 1.00 0.00 C ATOM 1591 C SER A 100 -10.764 -0.626 4.218 1.00 0.00 C ATOM 1592 O SER A 100 -11.396 -1.638 3.913 1.00 0.00 O ATOM 1593 CB SER A 100 -8.282 -0.812 4.479 1.00 0.00 C ATOM 1594 OG SER A 100 -7.047 -0.834 3.786 1.00 0.00 O ATOM 0 H SER A 100 -8.536 1.560 3.849 1.00 0.00 H new ATOM 0 HA SER A 100 -9.361 -0.851 2.622 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.202 -0.161 5.350 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.512 -1.811 4.848 1.00 0.00 H new ATOM 0 HG SER A 100 -6.340 -1.148 4.388 1.00 0.00 H new ATOM 1600 N HIS A 101 -11.200 0.260 5.107 1.00 0.00 N ATOM 1601 CA HIS A 101 -12.474 0.091 5.794 1.00 0.00 C ATOM 1602 C HIS A 101 -13.632 0.154 4.802 1.00 0.00 C ATOM 1603 O HIS A 101 -14.560 -0.651 4.863 1.00 0.00 O ATOM 1604 CB HIS A 101 -12.647 1.166 6.868 1.00 0.00 C ATOM 1605 CG HIS A 101 -13.155 0.632 8.171 1.00 0.00 C ATOM 1606 ND1 HIS A 101 -13.784 -0.589 8.291 1.00 0.00 N ATOM 1607 CD2 HIS A 101 -13.120 1.159 9.419 1.00 0.00 C ATOM 1608 CE1 HIS A 101 -14.118 -0.789 9.554 1.00 0.00 C ATOM 1609 NE2 HIS A 101 -13.725 0.258 10.259 1.00 0.00 N ATOM 0 H HIS A 101 -10.689 1.103 5.368 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.477 -0.889 6.272 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.689 1.659 7.035 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -13.337 1.926 6.502 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -12.695 2.111 9.700 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -14.625 -1.659 9.944 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -13.851 0.377 11.264 1.00 0.00 H new ATOM 1618 N PHE A 102 -13.565 1.114 3.885 1.00 0.00 N ATOM 1619 CA PHE A 102 -14.604 1.280 2.875 1.00 0.00 C ATOM 1620 C PHE A 102 -14.596 0.111 1.896 1.00 0.00 C ATOM 1621 O PHE A 102 -15.649 -0.348 1.452 1.00 0.00 O ATOM 1622 CB PHE A 102 -14.406 2.597 2.120 1.00 0.00 C ATOM 1623 CG PHE A 102 -14.961 3.792 2.840 1.00 0.00 C ATOM 1624 CD1 PHE A 102 -16.307 3.861 3.160 1.00 0.00 C ATOM 1625 CD2 PHE A 102 -14.136 4.849 3.194 1.00 0.00 C ATOM 1626 CE1 PHE A 102 -16.822 4.960 3.822 1.00 0.00 C ATOM 1627 CE2 PHE A 102 -14.645 5.950 3.854 1.00 0.00 C ATOM 1628 CZ PHE A 102 -15.988 6.006 4.170 1.00 0.00 C ATOM 0 H PHE A 102 -12.802 1.788 3.821 1.00 0.00 H new ATOM 0 HA PHE A 102 -15.570 1.303 3.380 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -13.341 2.750 1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -14.880 2.520 1.142 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -16.962 3.046 2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -13.084 4.811 2.951 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -17.873 5.001 4.067 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -13.993 6.767 4.123 1.00 0.00 H new ATOM 0 HZ PHE A 102 -16.386 6.866 4.688 1.00 0.00 H new ATOM 1638 N HIS A 103 -13.400 -0.364 1.562 1.00 0.00 N ATOM 1639 CA HIS A 103 -13.252 -1.481 0.637 1.00 0.00 C ATOM 1640 C HIS A 103 -13.789 -2.770 1.249 1.00 0.00 C ATOM 1641 O HIS A 103 -14.514 -3.523 0.599 1.00 0.00 O ATOM 1642 CB HIS A 103 -11.781 -1.658 0.252 1.00 0.00 C ATOM 1643 CG HIS A 103 -11.543 -2.779 -0.712 1.00 0.00 C ATOM 1644 ND1 HIS A 103 -10.437 -3.599 -0.654 1.00 0.00 N ATOM 1645 CD2 HIS A 103 -12.277 -3.216 -1.762 1.00 0.00 C ATOM 1646 CE1 HIS A 103 -10.499 -4.490 -1.626 1.00 0.00 C ATOM 1647 NE2 HIS A 103 -11.607 -4.280 -2.313 1.00 0.00 N ATOM 0 H HIS A 103 -12.520 0.008 1.918 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.831 -1.258 -0.259 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.415 -0.730 -0.186 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -11.197 -1.836 1.155 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -9.687 -3.528 0.033 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -13.215 -2.804 -2.103 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -9.768 -5.260 -1.825 1.00 0.00 H new ATOM 1656 N SER A 104 -13.431 -3.017 2.505 1.00 0.00 N ATOM 1657 CA SER A 104 -13.878 -4.215 3.206 1.00 0.00 C ATOM 1658 C SER A 104 -15.392 -4.206 3.386 1.00 0.00 C ATOM 1659 O SER A 104 -16.031 -5.258 3.407 1.00 0.00 O ATOM 1660 CB SER A 104 -13.191 -4.321 4.569 1.00 0.00 C ATOM 1661 OG SER A 104 -12.864 -5.666 4.873 1.00 0.00 O ATOM 0 H SER A 104 -12.833 -2.403 3.058 1.00 0.00 H new ATOM 0 HA SER A 104 -13.607 -5.081 2.603 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.286 -3.714 4.571 1.00 0.00 H new ATOM 0 HB3 SER A 104 -13.846 -3.919 5.342 1.00 0.00 H new ATOM 0 HG SER A 104 -12.425 -5.706 5.748 1.00 0.00 H new ATOM 1667 N ALA A 105 -15.961 -3.011 3.516 1.00 0.00 N ATOM 1668 CA ALA A 105 -17.400 -2.865 3.694 1.00 0.00 C ATOM 1669 C ALA A 105 -18.149 -3.204 2.409 1.00 0.00 C ATOM 1670 O ALA A 105 -19.229 -3.794 2.446 1.00 0.00 O ATOM 1671 CB ALA A 105 -17.734 -1.452 4.144 1.00 0.00 C ATOM 0 H ALA A 105 -15.446 -2.130 3.501 1.00 0.00 H new ATOM 0 HA ALA A 105 -17.719 -3.566 4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -18.812 -1.357 4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -17.235 -1.244 5.091 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -17.394 -0.741 3.391 1.00 0.00 H new ATOM 1677 N PHE A 106 -17.569 -2.827 1.274 1.00 0.00 N ATOM 1678 CA PHE A 106 -18.182 -3.093 -0.021 1.00 0.00 C ATOM 1679 C PHE A 106 -17.784 -4.470 -0.539 1.00 0.00 C ATOM 1680 O PHE A 106 -18.569 -5.146 -1.207 1.00 0.00 O ATOM 1681 CB PHE A 106 -17.778 -2.019 -1.036 1.00 0.00 C ATOM 1682 CG PHE A 106 -17.720 -0.627 -0.465 1.00 0.00 C ATOM 1683 CD1 PHE A 106 -18.581 -0.240 0.551 1.00 0.00 C ATOM 1684 CD2 PHE A 106 -16.804 0.294 -0.947 1.00 0.00 C ATOM 1685 CE1 PHE A 106 -18.528 1.038 1.074 1.00 0.00 C ATOM 1686 CE2 PHE A 106 -16.747 1.574 -0.428 1.00 0.00 C ATOM 1687 CZ PHE A 106 -17.610 1.946 0.585 1.00 0.00 C ATOM 0 H PHE A 106 -16.676 -2.337 1.226 1.00 0.00 H new ATOM 0 HA PHE A 106 -19.264 -3.070 0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -16.801 -2.272 -1.448 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -18.487 -2.032 -1.864 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -19.301 -0.946 0.938 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -16.126 0.008 -1.738 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -19.204 1.326 1.865 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -16.029 2.282 -0.814 1.00 0.00 H new ATOM 0 HZ PHE A 106 -17.567 2.945 0.993 1.00 0.00 H new ATOM 1697 N LYS A 107 -16.561 -4.884 -0.226 1.00 0.00 N ATOM 1698 CA LYS A 107 -16.058 -6.183 -0.659 1.00 0.00 C ATOM 1699 C LYS A 107 -16.918 -7.311 -0.102 1.00 0.00 C ATOM 1700 O LYS A 107 -17.079 -8.354 -0.736 1.00 0.00 O ATOM 1701 CB LYS A 107 -14.605 -6.365 -0.214 1.00 0.00 C ATOM 1702 CG LYS A 107 -13.935 -7.590 -0.814 1.00 0.00 C ATOM 1703 CD LYS A 107 -13.451 -7.321 -2.230 1.00 0.00 C ATOM 1704 CE LYS A 107 -12.435 -8.360 -2.676 1.00 0.00 C ATOM 1705 NZ LYS A 107 -12.293 -8.396 -4.159 1.00 0.00 N ATOM 0 H LYS A 107 -15.899 -4.339 0.326 1.00 0.00 H new ATOM 0 HA LYS A 107 -16.104 -6.219 -1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.035 -5.478 -0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -14.573 -6.439 0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -13.092 -7.887 -0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -14.637 -8.424 -0.820 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -14.300 -7.324 -2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -13.004 -6.328 -2.281 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.468 -8.140 -2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -12.739 -9.343 -2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.591 -9.117 -4.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -13.210 -8.631 -4.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.978 -7.465 -4.500 1.00 0.00 H new