USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 631 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 Set 1.1: A 68 ASN : amide:sc= -2.21! C(o=-2.2!,f=-6.7!) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 49 LYS NZ :NH3+ -107:sc= 1.2 (180deg=-0.0245) USER MOD Set 2.2: A 61 ASN : amide:sc= 1.33 K(o=2.8,f=-6.5!) USER MOD Set 2.3: A 63 SER OG : rot -58:sc= 0.284 USER MOD Set 3.1: A 53 LYS NZ :NH3+ 167:sc= 1.12 (180deg=-0.411) USER MOD Set 3.2: A 54 ASN : amide:sc= 0.173 K(o=1.3,f=-13!) USER MOD Set 4.1: A 32 THR OG1 : rot 180:sc= 0.0498 USER MOD Set 4.2: A 84 LYS NZ :NH3+ -161:sc= 1.24 (180deg=0.959) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.123 USER MOD Single : A 21 TYR OH : rot -174:sc= 0.0818 USER MOD Single : A 25 MET CE :methyl 133:sc= -0.222 (180deg=-0.648) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 27 THR OG1 : rot 170:sc= 0.428 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -84:sc= 1.32 USER MOD Single : A 40 TYR OH : rot -97:sc= -1.53 USER MOD Single : A 41 GLN : amide:sc= 0.575 K(o=0.57,f=-0.078) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= -0.0253 (180deg=-0.255) USER MOD Single : A 50 ASN : amide:sc= -0.0276 X(o=-0.028,f=-0.12) USER MOD Single : A 51 THR OG1 : rot 120:sc= -0.143 USER MOD Single : A 52 SER OG : rot -165:sc= -0.852 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 92:sc= 0.506 USER MOD Single : A 59 SER OG : rot 92:sc=0.000608 USER MOD Single : A 64 MET CE :methyl -125:sc= -2.73! (180deg=-3.21!) USER MOD Single : A 67 SER OG : rot -150:sc= 1.14 USER MOD Single : A 73 ASN : amide:sc= 1.59 K(o=1.6,f=-0.076) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 78 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.061) USER MOD Single : A 80 SER OG : rot 8:sc= 0.363 USER MOD Single : A 81 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.31) USER MOD Single : A 87 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.072) USER MOD Single : A 88 THR OG1 : rot 101:sc= 0.311 USER MOD ----------------------------------------------------------------- ATOM 220 N TYR A 15 -6.574 -27.675 -0.036 1.00 0.00 N ATOM 221 CA TYR A 15 -7.611 -28.212 0.842 1.00 0.00 C ATOM 222 C TYR A 15 -8.735 -28.849 0.016 1.00 0.00 C ATOM 223 O TYR A 15 -8.977 -28.440 -1.122 1.00 0.00 O ATOM 224 CB TYR A 15 -8.169 -27.093 1.738 1.00 0.00 C ATOM 225 CG TYR A 15 -7.157 -26.540 2.733 1.00 0.00 C ATOM 226 CD1 TYR A 15 -6.247 -25.552 2.363 1.00 0.00 C ATOM 227 CD2 TYR A 15 -7.113 -27.010 4.041 1.00 0.00 C ATOM 228 CE1 TYR A 15 -5.327 -25.053 3.269 1.00 0.00 C ATOM 229 CE2 TYR A 15 -6.196 -26.513 4.949 1.00 0.00 C ATOM 230 CZ TYR A 15 -5.305 -25.537 4.560 1.00 0.00 C ATOM 231 OH TYR A 15 -4.392 -25.040 5.464 1.00 0.00 O ATOM 0 HA TYR A 15 -7.173 -28.984 1.475 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -8.526 -26.279 1.107 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -9.031 -27.474 2.285 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.260 -25.169 1.353 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -7.807 -27.776 4.353 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.629 -24.287 2.966 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.178 -26.889 5.961 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.511 -25.487 6.328 1.00 0.00 H new ATOM 241 N PRO A 16 -9.425 -29.881 0.554 1.00 0.00 N ATOM 242 CA PRO A 16 -9.106 -30.483 1.853 1.00 0.00 C ATOM 243 C PRO A 16 -7.956 -31.484 1.775 1.00 0.00 C ATOM 244 O PRO A 16 -7.667 -32.041 0.711 1.00 0.00 O ATOM 245 CB PRO A 16 -10.401 -31.194 2.243 1.00 0.00 C ATOM 246 CG PRO A 16 -11.053 -31.546 0.945 1.00 0.00 C ATOM 247 CD PRO A 16 -10.603 -30.518 -0.069 1.00 0.00 C ATOM 0 HA PRO A 16 -8.777 -29.733 2.572 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.199 -32.085 2.838 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.041 -30.548 2.844 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.767 -32.550 0.630 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.138 -31.540 1.045 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.346 -30.984 -1.020 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.388 -29.790 -0.272 1.00 0.00 H new ATOM 255 N CYS A 17 -7.324 -31.720 2.916 1.00 0.00 N ATOM 256 CA CYS A 17 -6.187 -32.632 3.003 1.00 0.00 C ATOM 257 C CYS A 17 -5.912 -32.995 4.461 1.00 0.00 C ATOM 258 O CYS A 17 -6.493 -32.404 5.376 1.00 0.00 O ATOM 259 CB CYS A 17 -4.943 -31.999 2.365 1.00 0.00 C ATOM 260 SG CYS A 17 -3.527 -33.118 2.234 1.00 0.00 S ATOM 0 H CYS A 17 -7.581 -31.289 3.804 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.429 -33.544 2.457 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.202 -31.640 1.369 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.651 -31.128 2.952 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.530 -32.493 1.682 1.00 0.00 H new ATOM 266 N LEU A 18 -5.028 -33.965 4.667 1.00 0.00 N ATOM 267 CA LEU A 18 -4.683 -34.437 6.007 1.00 0.00 C ATOM 268 C LEU A 18 -3.694 -33.492 6.683 1.00 0.00 C ATOM 269 O LEU A 18 -2.524 -33.425 6.293 1.00 0.00 O ATOM 270 CB LEU A 18 -4.082 -35.848 5.931 1.00 0.00 C ATOM 271 CG LEU A 18 -5.063 -36.958 5.526 1.00 0.00 C ATOM 272 CD1 LEU A 18 -4.311 -38.234 5.160 1.00 0.00 C ATOM 273 CD2 LEU A 18 -6.061 -37.230 6.651 1.00 0.00 C ATOM 0 H LEU A 18 -4.532 -34.445 3.916 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.596 -34.463 6.601 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.258 -35.836 5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.658 -36.097 6.904 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.616 -36.621 4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.024 -39.008 4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.641 -38.034 4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.730 -38.573 6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.748 -38.019 6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.524 -37.543 7.546 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.624 -36.322 6.865 1.00 0.00 H new ATOM 285 N TRP A 19 -4.160 -32.758 7.683 1.00 0.00 N ATOM 286 CA TRP A 19 -3.274 -31.918 8.478 1.00 0.00 C ATOM 287 C TRP A 19 -2.848 -32.682 9.726 1.00 0.00 C ATOM 288 O TRP A 19 -3.613 -33.493 10.258 1.00 0.00 O ATOM 289 CB TRP A 19 -3.934 -30.585 8.858 1.00 0.00 C ATOM 290 CG TRP A 19 -2.935 -29.570 9.340 1.00 0.00 C ATOM 291 CD1 TRP A 19 -2.499 -29.380 10.621 1.00 0.00 C ATOM 292 CD2 TRP A 19 -2.229 -28.619 8.532 1.00 0.00 C ATOM 293 NE1 TRP A 19 -1.563 -28.375 10.657 1.00 0.00 N ATOM 294 CE2 TRP A 19 -1.383 -27.890 9.388 1.00 0.00 C ATOM 295 CE3 TRP A 19 -2.231 -28.315 7.167 1.00 0.00 C ATOM 296 CZ2 TRP A 19 -0.548 -26.878 8.924 1.00 0.00 C ATOM 297 CZ3 TRP A 19 -1.402 -27.310 6.708 1.00 0.00 C ATOM 298 CH2 TRP A 19 -0.572 -26.601 7.585 1.00 0.00 C ATOM 0 H TRP A 19 -5.140 -32.726 7.963 1.00 0.00 H new ATOM 0 HA TRP A 19 -2.398 -31.676 7.876 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -4.466 -30.186 7.994 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -4.676 -30.759 9.637 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -2.840 -29.939 11.480 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -1.081 -28.044 11.492 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -2.869 -28.856 6.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.096 -26.331 9.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -1.394 -27.067 5.656 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.063 -25.819 7.196 1.00 0.00 H new ATOM 309 N ASP A 20 -1.630 -32.426 10.183 1.00 0.00 N ATOM 310 CA ASP A 20 -1.032 -33.187 11.275 1.00 0.00 C ATOM 311 C ASP A 20 -0.761 -32.293 12.487 1.00 0.00 C ATOM 312 O ASP A 20 -0.011 -31.318 12.400 1.00 0.00 O ATOM 313 CB ASP A 20 0.262 -33.832 10.774 1.00 0.00 C ATOM 314 CG ASP A 20 0.978 -34.641 11.837 1.00 0.00 C ATOM 315 OD1 ASP A 20 0.607 -35.817 12.039 1.00 0.00 O ATOM 316 OD2 ASP A 20 1.936 -34.116 12.445 1.00 0.00 O ATOM 0 H ASP A 20 -1.030 -31.690 9.811 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.727 -33.963 11.597 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.033 -34.479 9.927 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.931 -33.053 10.408 1.00 0.00 H new ATOM 321 N TYR A 21 -1.387 -32.633 13.609 1.00 0.00 N ATOM 322 CA TYR A 21 -1.261 -31.876 14.853 1.00 0.00 C ATOM 323 C TYR A 21 -0.426 -32.650 15.873 1.00 0.00 C ATOM 324 O TYR A 21 -0.673 -33.836 16.120 1.00 0.00 O ATOM 325 CB TYR A 21 -2.648 -31.593 15.453 1.00 0.00 C ATOM 326 CG TYR A 21 -3.563 -30.769 14.566 1.00 0.00 C ATOM 327 CD1 TYR A 21 -4.313 -31.364 13.554 1.00 0.00 C ATOM 328 CD2 TYR A 21 -3.689 -29.395 14.752 1.00 0.00 C ATOM 329 CE1 TYR A 21 -5.155 -30.614 12.754 1.00 0.00 C ATOM 330 CE2 TYR A 21 -4.533 -28.642 13.959 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.262 -29.255 12.963 1.00 0.00 C ATOM 332 OH TYR A 21 -6.101 -28.504 12.172 1.00 0.00 O ATOM 0 H TYR A 21 -1.999 -33.445 13.683 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.765 -30.933 14.621 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.135 -32.543 15.673 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.520 -31.074 16.403 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.235 -32.429 13.392 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.117 -28.910 15.529 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.726 -31.090 11.970 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.621 -27.578 14.119 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.986 -27.554 12.383 1.00 0.00 H new ATOM 342 N ARG A 22 0.555 -31.971 16.463 1.00 0.00 N ATOM 343 CA ARG A 22 1.370 -32.548 17.530 1.00 0.00 C ATOM 344 C ARG A 22 0.779 -32.151 18.880 1.00 0.00 C ATOM 345 O ARG A 22 0.840 -30.983 19.273 1.00 0.00 O ATOM 346 CB ARG A 22 2.822 -32.051 17.417 1.00 0.00 C ATOM 347 CG ARG A 22 3.793 -32.695 18.407 1.00 0.00 C ATOM 348 CD ARG A 22 4.033 -34.169 18.092 1.00 0.00 C ATOM 349 NE ARG A 22 4.471 -34.361 16.707 1.00 0.00 N ATOM 350 CZ ARG A 22 5.575 -35.016 16.335 1.00 0.00 C ATOM 351 NH1 ARG A 22 6.384 -35.551 17.244 1.00 0.00 N ATOM 352 NH2 ARG A 22 5.866 -35.125 15.046 1.00 0.00 N ATOM 0 H ARG A 22 0.806 -31.013 16.218 1.00 0.00 H new ATOM 0 HA ARG A 22 1.372 -33.634 17.440 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.179 -32.238 16.404 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.835 -30.971 17.565 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.742 -32.160 18.385 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.397 -32.600 19.418 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.786 -34.569 18.771 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.116 -34.733 18.266 1.00 0.00 H new ATOM 0 HE ARG A 22 3.888 -33.964 15.970 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.165 -35.464 18.236 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.224 -36.049 16.949 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.249 -34.711 14.347 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.707 -35.623 14.753 1.00 0.00 H new ATOM 366 N VAL A 23 0.200 -33.115 19.585 1.00 0.00 N ATOM 367 CA VAL A 23 -0.482 -32.844 20.847 1.00 0.00 C ATOM 368 C VAL A 23 0.340 -33.361 22.025 1.00 0.00 C ATOM 369 O VAL A 23 0.366 -34.559 22.289 1.00 0.00 O ATOM 370 CB VAL A 23 -1.887 -33.499 20.877 1.00 0.00 C ATOM 371 CG1 VAL A 23 -2.656 -33.089 22.133 1.00 0.00 C ATOM 372 CG2 VAL A 23 -2.677 -33.146 19.614 1.00 0.00 C ATOM 0 H VAL A 23 0.189 -34.095 19.304 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.596 -31.763 20.931 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.754 -34.581 20.904 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.638 -33.562 22.129 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.104 -33.406 23.018 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.775 -32.006 22.149 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.660 -33.616 19.656 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.795 -32.064 19.549 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.140 -33.506 18.736 1.00 0.00 H new ATOM 382 N ILE A 24 1.025 -32.458 22.719 1.00 0.00 N ATOM 383 CA ILE A 24 1.815 -32.830 23.889 1.00 0.00 C ATOM 384 C ILE A 24 0.994 -32.621 25.161 1.00 0.00 C ATOM 385 O ILE A 24 0.616 -31.492 25.493 1.00 0.00 O ATOM 386 CB ILE A 24 3.135 -32.021 23.970 1.00 0.00 C ATOM 387 CG1 ILE A 24 3.938 -32.176 22.663 1.00 0.00 C ATOM 388 CG2 ILE A 24 3.968 -32.471 25.172 1.00 0.00 C ATOM 389 CD1 ILE A 24 5.243 -31.404 22.647 1.00 0.00 C ATOM 0 H ILE A 24 1.050 -31.464 22.492 1.00 0.00 H new ATOM 0 HA ILE A 24 2.077 -33.884 23.793 1.00 0.00 H new ATOM 0 HB ILE A 24 2.889 -30.967 24.102 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.151 -33.233 22.502 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.321 -31.844 21.828 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.891 -31.892 25.212 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.400 -32.312 26.088 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.208 -33.530 25.073 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.749 -31.564 21.695 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.039 -30.341 22.775 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.881 -31.751 23.460 1.00 0.00 H new ATOM 401 N MET A 25 0.707 -33.717 25.856 1.00 0.00 N ATOM 402 CA MET A 25 -0.121 -33.692 27.061 1.00 0.00 C ATOM 403 C MET A 25 0.666 -34.222 28.257 1.00 0.00 C ATOM 404 O MET A 25 1.625 -34.975 28.090 1.00 0.00 O ATOM 405 CB MET A 25 -1.382 -34.552 26.848 1.00 0.00 C ATOM 406 CG MET A 25 -2.238 -34.113 25.664 1.00 0.00 C ATOM 407 SD MET A 25 -3.562 -35.278 25.272 1.00 0.00 S ATOM 408 CE MET A 25 -4.519 -35.258 26.784 1.00 0.00 C ATOM 0 H MET A 25 1.040 -34.647 25.602 1.00 0.00 H new ATOM 0 HA MET A 25 -0.415 -32.662 27.261 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.082 -35.589 26.701 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.988 -34.521 27.753 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.674 -33.138 25.881 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.600 -33.990 24.789 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.577 -35.153 26.544 1.00 0.00 H new ATOM 0 HE2 MET A 25 -4.361 -36.190 27.327 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.203 -34.419 27.404 1.00 0.00 H new ATOM 418 N THR A 26 0.258 -33.824 29.459 1.00 0.00 N ATOM 419 CA THR A 26 0.886 -34.299 30.690 1.00 0.00 C ATOM 420 C THR A 26 0.143 -35.523 31.242 1.00 0.00 C ATOM 421 O THR A 26 0.168 -35.800 32.444 1.00 0.00 O ATOM 422 CB THR A 26 0.922 -33.175 31.753 1.00 0.00 C ATOM 423 OG1 THR A 26 -0.356 -32.521 31.812 1.00 0.00 O ATOM 424 CG2 THR A 26 2.011 -32.151 31.437 1.00 0.00 C ATOM 0 H THR A 26 -0.510 -33.169 29.608 1.00 0.00 H new ATOM 0 HA THR A 26 1.910 -34.591 30.455 1.00 0.00 H new ATOM 0 HB THR A 26 1.148 -33.627 32.719 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.329 -31.811 32.487 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.012 -31.374 32.201 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.982 -32.646 31.421 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.817 -31.702 30.463 1.00 0.00 H new ATOM 432 N THR A 27 -0.500 -36.264 30.343 1.00 0.00 N ATOM 433 CA THR A 27 -1.246 -37.461 30.711 1.00 0.00 C ATOM 434 C THR A 27 -1.356 -38.401 29.516 1.00 0.00 C ATOM 435 O THR A 27 -1.223 -37.974 28.367 1.00 0.00 O ATOM 436 CB THR A 27 -2.671 -37.117 31.215 1.00 0.00 C ATOM 437 OG1 THR A 27 -3.342 -38.310 31.647 1.00 0.00 O ATOM 438 CG2 THR A 27 -3.494 -36.444 30.123 1.00 0.00 C ATOM 0 H THR A 27 -0.518 -36.052 29.345 1.00 0.00 H new ATOM 0 HA THR A 27 -0.700 -37.946 31.520 1.00 0.00 H new ATOM 0 HB THR A 27 -2.571 -36.426 32.052 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.171 -38.069 32.110 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.488 -36.215 30.506 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.003 -35.522 29.813 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.580 -37.114 29.267 1.00 0.00 H new ATOM 446 N LYS A 28 -1.588 -39.680 29.796 1.00 0.00 N ATOM 447 CA LYS A 28 -1.840 -40.667 28.751 1.00 0.00 C ATOM 448 C LYS A 28 -3.334 -40.975 28.677 1.00 0.00 C ATOM 449 O LYS A 28 -3.764 -41.881 27.958 1.00 0.00 O ATOM 450 CB LYS A 28 -1.028 -41.950 28.997 1.00 0.00 C ATOM 451 CG LYS A 28 0.483 -41.735 28.920 1.00 0.00 C ATOM 452 CD LYS A 28 1.266 -43.049 28.911 1.00 0.00 C ATOM 453 CE LYS A 28 1.070 -43.854 30.190 1.00 0.00 C ATOM 454 NZ LYS A 28 1.905 -45.086 30.200 1.00 0.00 N ATOM 0 H LYS A 28 -1.607 -40.059 30.743 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.519 -40.252 27.795 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.281 -42.349 29.979 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.319 -42.702 28.263 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.720 -41.169 28.019 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.804 -41.131 29.769 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.953 -43.649 28.056 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.327 -42.835 28.779 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.324 -43.236 31.051 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.019 -44.126 30.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.744 -45.607 31.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.646 -45.688 29.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.909 -44.825 30.129 1.00 0.00 H new ATOM 468 N ASP A 29 -4.120 -40.205 29.430 1.00 0.00 N ATOM 469 CA ASP A 29 -5.573 -40.317 29.404 1.00 0.00 C ATOM 470 C ASP A 29 -6.121 -39.495 28.244 1.00 0.00 C ATOM 471 O ASP A 29 -6.426 -38.307 28.390 1.00 0.00 O ATOM 472 CB ASP A 29 -6.176 -39.839 30.735 1.00 0.00 C ATOM 473 CG ASP A 29 -7.695 -39.954 30.772 1.00 0.00 C ATOM 474 OD1 ASP A 29 -8.206 -41.075 30.987 1.00 0.00 O ATOM 475 OD2 ASP A 29 -8.387 -38.925 30.610 1.00 0.00 O ATOM 0 H ASP A 29 -3.768 -39.492 30.069 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.849 -41.362 29.266 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.752 -40.424 31.551 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.891 -38.801 30.905 1.00 0.00 H new ATOM 480 N THR A 30 -6.204 -40.121 27.079 1.00 0.00 N ATOM 481 CA THR A 30 -6.643 -39.436 25.876 1.00 0.00 C ATOM 482 C THR A 30 -8.069 -39.851 25.502 1.00 0.00 C ATOM 483 O THR A 30 -8.311 -40.935 24.969 1.00 0.00 O ATOM 484 CB THR A 30 -5.665 -39.677 24.692 1.00 0.00 C ATOM 485 OG1 THR A 30 -6.133 -39.005 23.514 1.00 0.00 O ATOM 486 CG2 THR A 30 -5.476 -41.165 24.398 1.00 0.00 C ATOM 0 H THR A 30 -5.972 -41.105 26.943 1.00 0.00 H new ATOM 0 HA THR A 30 -6.643 -38.367 26.087 1.00 0.00 H new ATOM 0 HB THR A 30 -4.697 -39.270 24.985 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.507 -39.164 22.777 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.785 -41.286 23.564 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.071 -41.661 25.280 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.437 -41.610 24.141 1.00 0.00 H new ATOM 494 N SER A 31 -9.017 -38.984 25.833 1.00 0.00 N ATOM 495 CA SER A 31 -10.413 -39.171 25.462 1.00 0.00 C ATOM 496 C SER A 31 -10.983 -37.832 25.015 1.00 0.00 C ATOM 497 O SER A 31 -11.489 -37.702 23.898 1.00 0.00 O ATOM 498 CB SER A 31 -11.212 -39.746 26.641 1.00 0.00 C ATOM 499 OG SER A 31 -12.576 -39.938 26.304 1.00 0.00 O ATOM 0 H SER A 31 -8.840 -38.132 26.366 1.00 0.00 H new ATOM 0 HA SER A 31 -10.485 -39.885 24.641 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.775 -40.696 26.948 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.139 -39.071 27.494 1.00 0.00 H new ATOM 0 HG SER A 31 -13.055 -40.306 27.076 1.00 0.00 H new ATOM 505 N THR A 32 -10.848 -36.829 25.885 1.00 0.00 N ATOM 506 CA THR A 32 -11.273 -35.462 25.589 1.00 0.00 C ATOM 507 C THR A 32 -10.756 -35.012 24.215 1.00 0.00 C ATOM 508 O THR A 32 -11.445 -34.309 23.474 1.00 0.00 O ATOM 509 CB THR A 32 -10.741 -34.494 26.673 1.00 0.00 C ATOM 510 OG1 THR A 32 -10.853 -35.111 27.966 1.00 0.00 O ATOM 511 CG2 THR A 32 -11.511 -33.175 26.667 1.00 0.00 C ATOM 0 H THR A 32 -10.441 -36.943 26.813 1.00 0.00 H new ATOM 0 HA THR A 32 -12.363 -35.443 25.580 1.00 0.00 H new ATOM 0 HB THR A 32 -9.696 -34.278 26.452 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.514 -34.498 28.651 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.113 -32.518 27.440 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.405 -32.696 25.693 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.566 -33.368 26.863 1.00 0.00 H new ATOM 519 N LEU A 33 -9.540 -35.453 23.891 1.00 0.00 N ATOM 520 CA LEU A 33 -8.892 -35.119 22.624 1.00 0.00 C ATOM 521 C LEU A 33 -9.705 -35.643 21.439 1.00 0.00 C ATOM 522 O LEU A 33 -9.936 -34.927 20.469 1.00 0.00 O ATOM 523 CB LEU A 33 -7.471 -35.708 22.603 1.00 0.00 C ATOM 524 CG LEU A 33 -6.652 -35.444 21.325 1.00 0.00 C ATOM 525 CD1 LEU A 33 -6.512 -33.947 21.060 1.00 0.00 C ATOM 526 CD2 LEU A 33 -5.278 -36.106 21.428 1.00 0.00 C ATOM 0 H LEU A 33 -8.979 -36.050 24.498 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.834 -34.034 22.535 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.920 -35.307 23.454 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.543 -36.786 22.749 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.187 -35.882 20.482 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.929 -33.791 20.152 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.501 -33.505 20.937 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.006 -33.474 21.902 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.711 -35.911 20.518 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.741 -35.698 22.285 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.401 -37.182 21.555 1.00 0.00 H new ATOM 538 N LYS A 34 -10.152 -36.889 21.540 1.00 0.00 N ATOM 539 CA LYS A 34 -10.893 -37.532 20.459 1.00 0.00 C ATOM 540 C LYS A 34 -12.298 -36.950 20.339 1.00 0.00 C ATOM 541 O LYS A 34 -12.804 -36.754 19.234 1.00 0.00 O ATOM 542 CB LYS A 34 -10.970 -39.045 20.696 1.00 0.00 C ATOM 543 CG LYS A 34 -9.615 -39.745 20.657 1.00 0.00 C ATOM 544 CD LYS A 34 -9.732 -41.229 20.997 1.00 0.00 C ATOM 545 CE LYS A 34 -10.176 -41.446 22.440 1.00 0.00 C ATOM 546 NZ LYS A 34 -10.338 -42.887 22.770 1.00 0.00 N ATOM 0 H LYS A 34 -10.014 -37.477 22.362 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.363 -37.344 19.525 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.435 -39.228 21.665 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.619 -39.489 19.941 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.177 -39.633 19.665 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.937 -39.263 21.361 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.446 -41.701 20.322 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.770 -41.716 20.835 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.444 -41.001 23.114 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.120 -40.928 22.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.640 -42.984 23.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.056 -43.308 22.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.431 -43.378 22.635 1.00 0.00 H new ATOM 560 N GLU A 35 -12.910 -36.657 21.486 1.00 0.00 N ATOM 561 CA GLU A 35 -14.281 -36.147 21.528 1.00 0.00 C ATOM 562 C GLU A 35 -14.445 -34.931 20.617 1.00 0.00 C ATOM 563 O GLU A 35 -15.352 -34.886 19.781 1.00 0.00 O ATOM 564 CB GLU A 35 -14.672 -35.771 22.966 1.00 0.00 C ATOM 565 CG GLU A 35 -14.580 -36.923 23.961 1.00 0.00 C ATOM 566 CD GLU A 35 -15.497 -38.083 23.611 1.00 0.00 C ATOM 567 OE1 GLU A 35 -16.712 -37.988 23.887 1.00 0.00 O ATOM 568 OE2 GLU A 35 -15.010 -39.098 23.069 1.00 0.00 O ATOM 0 H GLU A 35 -12.476 -36.765 22.403 1.00 0.00 H new ATOM 0 HA GLU A 35 -14.940 -36.939 21.172 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.027 -34.960 23.306 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.692 -35.388 22.965 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.551 -37.280 24.002 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.830 -36.557 24.957 1.00 0.00 H new ATOM 575 N LEU A 36 -13.553 -33.955 20.772 1.00 0.00 N ATOM 576 CA LEU A 36 -13.636 -32.713 20.007 1.00 0.00 C ATOM 577 C LEU A 36 -13.409 -32.978 18.520 1.00 0.00 C ATOM 578 O LEU A 36 -13.973 -32.296 17.671 1.00 0.00 O ATOM 579 CB LEU A 36 -12.636 -31.672 20.547 1.00 0.00 C ATOM 580 CG LEU A 36 -11.139 -31.988 20.334 1.00 0.00 C ATOM 581 CD1 LEU A 36 -10.627 -31.410 19.014 1.00 0.00 C ATOM 582 CD2 LEU A 36 -10.304 -31.476 21.504 1.00 0.00 C ATOM 0 H LEU A 36 -12.766 -34.000 21.419 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.640 -32.304 20.124 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.854 -30.713 20.078 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.812 -31.551 21.616 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.036 -33.072 20.285 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.571 -31.651 18.897 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.191 -31.839 18.186 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.754 -30.327 19.017 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.254 -31.710 21.331 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.425 -30.396 21.593 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.636 -31.955 22.425 1.00 0.00 H new ATOM 594 N LEU A 37 -12.592 -33.983 18.213 1.00 0.00 N ATOM 595 CA LEU A 37 -12.301 -34.343 16.826 1.00 0.00 C ATOM 596 C LEU A 37 -13.546 -34.920 16.156 1.00 0.00 C ATOM 597 O LEU A 37 -13.837 -34.630 14.992 1.00 0.00 O ATOM 598 CB LEU A 37 -11.154 -35.366 16.769 1.00 0.00 C ATOM 599 CG LEU A 37 -9.822 -34.901 17.382 1.00 0.00 C ATOM 600 CD1 LEU A 37 -8.809 -36.043 17.409 1.00 0.00 C ATOM 601 CD2 LEU A 37 -9.257 -33.703 16.619 1.00 0.00 C ATOM 0 H LEU A 37 -12.119 -34.563 18.906 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.998 -33.443 16.292 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.473 -36.273 17.282 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.981 -35.634 15.727 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.017 -34.590 18.408 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.875 -35.691 17.847 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.203 -36.865 18.007 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.625 -36.390 16.392 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.315 -33.394 17.073 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.085 -33.982 15.579 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.968 -32.877 16.660 1.00 0.00 H new ATOM 613 N GLU A 38 -14.291 -35.722 16.912 1.00 0.00 N ATOM 614 CA GLU A 38 -15.462 -36.416 16.385 1.00 0.00 C ATOM 615 C GLU A 38 -16.628 -35.457 16.138 1.00 0.00 C ATOM 616 O GLU A 38 -17.532 -35.769 15.361 1.00 0.00 O ATOM 617 CB GLU A 38 -15.894 -37.544 17.332 1.00 0.00 C ATOM 618 CG GLU A 38 -14.817 -38.603 17.555 1.00 0.00 C ATOM 619 CD GLU A 38 -15.335 -39.815 18.311 1.00 0.00 C ATOM 620 OE1 GLU A 38 -15.378 -39.773 19.557 1.00 0.00 O ATOM 621 OE2 GLU A 38 -15.713 -40.815 17.661 1.00 0.00 O ATOM 0 H GLU A 38 -14.103 -35.908 17.897 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.178 -36.848 15.425 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.172 -37.113 18.294 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.785 -38.024 16.928 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.422 -38.923 16.591 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.988 -38.162 18.108 1.00 0.00 H new ATOM 628 N THR A 39 -16.605 -34.289 16.780 1.00 0.00 N ATOM 629 CA THR A 39 -17.681 -33.307 16.615 1.00 0.00 C ATOM 630 C THR A 39 -17.778 -32.854 15.156 1.00 0.00 C ATOM 631 O THR A 39 -18.845 -32.463 14.681 1.00 0.00 O ATOM 632 CB THR A 39 -17.480 -32.066 17.518 1.00 0.00 C ATOM 633 OG1 THR A 39 -16.316 -31.334 17.103 1.00 0.00 O ATOM 634 CG2 THR A 39 -17.332 -32.469 18.982 1.00 0.00 C ATOM 0 H THR A 39 -15.861 -34.000 17.414 1.00 0.00 H new ATOM 0 HA THR A 39 -18.606 -33.801 16.912 1.00 0.00 H new ATOM 0 HB THR A 39 -18.363 -31.434 17.419 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.517 -31.734 17.506 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.192 -31.577 19.593 1.00 0.00 H new ATOM 0 HG22 THR A 39 -18.230 -32.994 19.307 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.468 -33.124 19.093 1.00 0.00 H new ATOM 642 N TYR A 40 -16.650 -32.925 14.450 1.00 0.00 N ATOM 643 CA TYR A 40 -16.579 -32.521 13.047 1.00 0.00 C ATOM 644 C TYR A 40 -17.145 -33.609 12.136 1.00 0.00 C ATOM 645 O TYR A 40 -17.316 -33.396 10.935 1.00 0.00 O ATOM 646 CB TYR A 40 -15.124 -32.226 12.660 1.00 0.00 C ATOM 647 CG TYR A 40 -14.498 -31.102 13.460 1.00 0.00 C ATOM 648 CD1 TYR A 40 -13.975 -31.330 14.728 1.00 0.00 C ATOM 649 CD2 TYR A 40 -14.450 -29.809 12.955 1.00 0.00 C ATOM 650 CE1 TYR A 40 -13.423 -30.304 15.466 1.00 0.00 C ATOM 651 CE2 TYR A 40 -13.904 -28.779 13.691 1.00 0.00 C ATOM 652 CZ TYR A 40 -13.393 -29.031 14.944 1.00 0.00 C ATOM 653 OH TYR A 40 -12.864 -27.999 15.683 1.00 0.00 O ATOM 0 H TYR A 40 -15.766 -33.262 14.831 1.00 0.00 H new ATOM 0 HA TYR A 40 -17.178 -31.619 12.921 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.531 -33.130 12.795 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.083 -31.973 11.601 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.001 -32.327 15.142 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -14.846 -29.607 11.971 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -13.017 -30.498 16.448 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.877 -27.778 13.286 1.00 0.00 H new ATOM 0 HH TYR A 40 -13.587 -27.515 16.133 1.00 0.00 H new ATOM 663 N GLN A 41 -17.412 -34.779 12.721 1.00 0.00 N ATOM 664 CA GLN A 41 -17.938 -35.932 11.983 1.00 0.00 C ATOM 665 C GLN A 41 -16.957 -36.379 10.894 1.00 0.00 C ATOM 666 O GLN A 41 -17.322 -37.123 9.984 1.00 0.00 O ATOM 667 CB GLN A 41 -19.313 -35.605 11.371 1.00 0.00 C ATOM 668 CG GLN A 41 -20.404 -35.331 12.402 1.00 0.00 C ATOM 669 CD GLN A 41 -20.687 -36.532 13.290 1.00 0.00 C ATOM 670 OE1 GLN A 41 -21.520 -37.379 12.963 1.00 0.00 O ATOM 671 NE2 GLN A 41 -20.000 -36.616 14.420 1.00 0.00 N ATOM 0 H GLN A 41 -17.271 -34.955 13.716 1.00 0.00 H new ATOM 0 HA GLN A 41 -18.062 -36.755 12.687 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -19.213 -34.734 10.724 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -19.625 -36.437 10.740 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -20.107 -34.487 13.024 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -21.320 -35.041 11.887 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -19.318 -35.895 14.657 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -20.153 -37.401 15.053 1.00 0.00 H new ATOM 680 N ARG A 42 -15.707 -35.939 11.012 1.00 0.00 N ATOM 681 CA ARG A 42 -14.670 -36.274 10.038 1.00 0.00 C ATOM 682 C ARG A 42 -13.691 -37.281 10.645 1.00 0.00 C ATOM 683 O ARG A 42 -13.493 -37.297 11.862 1.00 0.00 O ATOM 684 CB ARG A 42 -13.923 -35.004 9.589 1.00 0.00 C ATOM 685 CG ARG A 42 -13.071 -34.360 10.681 1.00 0.00 C ATOM 686 CD ARG A 42 -12.312 -33.139 10.169 1.00 0.00 C ATOM 687 NE ARG A 42 -13.189 -31.986 9.917 1.00 0.00 N ATOM 688 CZ ARG A 42 -13.495 -31.522 8.702 1.00 0.00 C ATOM 689 NH1 ARG A 42 -13.016 -32.111 7.616 1.00 0.00 N ATOM 690 NH2 ARG A 42 -14.256 -30.445 8.574 1.00 0.00 N ATOM 0 H ARG A 42 -15.386 -35.346 11.777 1.00 0.00 H new ATOM 0 HA ARG A 42 -15.141 -36.722 9.163 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.282 -35.253 8.743 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -14.651 -34.274 9.234 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.710 -34.066 11.514 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.362 -35.092 11.066 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.551 -32.858 10.897 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.791 -33.401 9.248 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.591 -31.508 10.724 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.408 -32.926 7.704 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.255 -31.750 6.692 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.609 -29.969 9.404 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.489 -30.092 7.646 1.00 0.00 H new ATOM 704 N PRO A 43 -13.077 -38.141 9.811 1.00 0.00 N ATOM 705 CA PRO A 43 -12.111 -39.142 10.278 1.00 0.00 C ATOM 706 C PRO A 43 -10.807 -38.509 10.765 1.00 0.00 C ATOM 707 O PRO A 43 -10.477 -37.374 10.402 1.00 0.00 O ATOM 708 CB PRO A 43 -11.859 -40.004 9.033 1.00 0.00 C ATOM 709 CG PRO A 43 -12.156 -39.098 7.887 1.00 0.00 C ATOM 710 CD PRO A 43 -13.280 -38.213 8.350 1.00 0.00 C ATOM 0 HA PRO A 43 -12.489 -39.705 11.132 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.830 -40.362 9.000 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.503 -40.883 9.022 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -11.280 -38.509 7.616 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.444 -39.666 7.003 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.232 -37.227 7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -14.253 -38.635 8.100 1.00 0.00 H new ATOM 718 N PHE A 44 -10.066 -39.258 11.576 1.00 0.00 N ATOM 719 CA PHE A 44 -8.789 -38.797 12.107 1.00 0.00 C ATOM 720 C PHE A 44 -7.924 -39.988 12.512 1.00 0.00 C ATOM 721 O PHE A 44 -8.440 -41.050 12.873 1.00 0.00 O ATOM 722 CB PHE A 44 -8.999 -37.856 13.307 1.00 0.00 C ATOM 723 CG PHE A 44 -9.710 -38.489 14.482 1.00 0.00 C ATOM 724 CD1 PHE A 44 -11.096 -38.469 14.568 1.00 0.00 C ATOM 725 CD2 PHE A 44 -8.991 -39.104 15.499 1.00 0.00 C ATOM 726 CE1 PHE A 44 -11.746 -39.047 15.642 1.00 0.00 C ATOM 727 CE2 PHE A 44 -9.638 -39.683 16.573 1.00 0.00 C ATOM 728 CZ PHE A 44 -11.016 -39.654 16.646 1.00 0.00 C ATOM 0 H PHE A 44 -10.332 -40.194 11.881 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.276 -38.239 11.324 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.028 -37.490 13.640 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.570 -36.988 12.977 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -11.673 -37.996 13.787 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.912 -39.130 15.449 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -12.824 -39.024 15.697 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.066 -40.158 17.356 1.00 0.00 H new ATOM 0 HZ PHE A 44 -11.523 -40.105 17.486 1.00 0.00 H new ATOM 738 N LYS A 45 -6.614 -39.806 12.445 1.00 0.00 N ATOM 739 CA LYS A 45 -5.659 -40.847 12.800 1.00 0.00 C ATOM 740 C LYS A 45 -4.925 -40.448 14.077 1.00 0.00 C ATOM 741 O LYS A 45 -4.167 -39.473 14.089 1.00 0.00 O ATOM 742 CB LYS A 45 -4.679 -41.071 11.629 1.00 0.00 C ATOM 743 CG LYS A 45 -3.715 -42.250 11.806 1.00 0.00 C ATOM 744 CD LYS A 45 -2.460 -41.878 12.600 1.00 0.00 C ATOM 745 CE LYS A 45 -1.597 -40.857 11.866 1.00 0.00 C ATOM 746 NZ LYS A 45 -1.137 -41.361 10.544 1.00 0.00 N ATOM 0 H LYS A 45 -6.182 -38.933 12.143 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.179 -41.786 12.987 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.256 -41.227 10.717 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.095 -40.162 11.485 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.233 -43.063 12.314 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.421 -42.623 10.825 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.752 -41.475 13.570 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.873 -42.777 12.792 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.165 -39.937 11.725 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.731 -40.607 12.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.374 -40.751 10.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.783 -42.334 10.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.932 -41.351 9.873 1.00 0.00 H new ATOM 760 N LEU A 46 -5.171 -41.193 15.149 1.00 0.00 N ATOM 761 CA LEU A 46 -4.562 -40.930 16.450 1.00 0.00 C ATOM 762 C LEU A 46 -3.462 -41.952 16.732 1.00 0.00 C ATOM 763 O LEU A 46 -3.703 -43.159 16.682 1.00 0.00 O ATOM 764 CB LEU A 46 -5.625 -41.000 17.558 1.00 0.00 C ATOM 765 CG LEU A 46 -5.114 -40.710 18.984 1.00 0.00 C ATOM 766 CD1 LEU A 46 -4.714 -39.245 19.136 1.00 0.00 C ATOM 767 CD2 LEU A 46 -6.163 -41.093 20.024 1.00 0.00 C ATOM 0 H LEU A 46 -5.799 -41.997 15.142 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.128 -39.930 16.434 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.418 -40.290 17.323 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.073 -41.994 17.546 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.227 -41.321 19.152 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.358 -39.069 20.151 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.921 -39.009 18.427 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.578 -38.610 18.939 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.781 -40.880 21.022 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.072 -40.517 19.853 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.386 -42.157 19.941 1.00 0.00 H new ATOM 779 N GLU A 47 -2.260 -41.461 17.018 1.00 0.00 N ATOM 780 CA GLU A 47 -1.120 -42.314 17.363 1.00 0.00 C ATOM 781 C GLU A 47 -0.283 -41.660 18.459 1.00 0.00 C ATOM 782 O GLU A 47 -0.128 -40.439 18.483 1.00 0.00 O ATOM 783 CB GLU A 47 -0.236 -42.575 16.128 1.00 0.00 C ATOM 784 CG GLU A 47 -0.779 -43.635 15.176 1.00 0.00 C ATOM 785 CD GLU A 47 -0.777 -45.027 15.790 1.00 0.00 C ATOM 786 OE1 GLU A 47 0.316 -45.624 15.911 1.00 0.00 O ATOM 787 OE2 GLU A 47 -1.859 -45.534 16.152 1.00 0.00 O ATOM 0 H GLU A 47 -2.046 -40.464 17.018 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.509 -43.266 17.724 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.114 -41.641 15.580 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.755 -42.880 16.464 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.796 -43.371 14.886 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.179 -43.642 14.266 1.00 0.00 H new ATOM 794 N PHE A 48 0.247 -42.471 19.364 1.00 0.00 N ATOM 795 CA PHE A 48 1.147 -41.983 20.403 1.00 0.00 C ATOM 796 C PHE A 48 2.583 -42.007 19.882 1.00 0.00 C ATOM 797 O PHE A 48 3.158 -43.077 19.673 1.00 0.00 O ATOM 798 CB PHE A 48 1.014 -42.836 21.673 1.00 0.00 C ATOM 799 CG PHE A 48 1.917 -42.395 22.802 1.00 0.00 C ATOM 800 CD1 PHE A 48 1.819 -41.113 23.323 1.00 0.00 C ATOM 801 CD2 PHE A 48 2.862 -43.259 23.338 1.00 0.00 C ATOM 802 CE1 PHE A 48 2.643 -40.703 24.353 1.00 0.00 C ATOM 803 CE2 PHE A 48 3.689 -42.852 24.369 1.00 0.00 C ATOM 804 CZ PHE A 48 3.579 -41.573 24.877 1.00 0.00 C ATOM 0 H PHE A 48 0.069 -43.475 19.401 1.00 0.00 H new ATOM 0 HA PHE A 48 0.880 -40.958 20.659 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.021 -42.804 22.014 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.236 -43.874 21.427 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.089 -40.427 22.918 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.952 -44.261 22.945 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.555 -39.702 24.749 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.420 -43.534 24.776 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.224 -41.253 25.682 1.00 0.00 H new ATOM 814 N LYS A 49 3.147 -40.823 19.652 1.00 0.00 N ATOM 815 CA LYS A 49 4.478 -40.707 19.061 1.00 0.00 C ATOM 816 C LYS A 49 5.569 -41.104 20.047 1.00 0.00 C ATOM 817 O LYS A 49 6.248 -42.116 19.853 1.00 0.00 O ATOM 818 CB LYS A 49 4.724 -39.280 18.540 1.00 0.00 C ATOM 819 CG LYS A 49 4.017 -38.976 17.223 1.00 0.00 C ATOM 820 CD LYS A 49 4.501 -39.898 16.104 1.00 0.00 C ATOM 821 CE LYS A 49 3.793 -39.628 14.778 1.00 0.00 C ATOM 822 NZ LYS A 49 4.100 -38.279 14.226 1.00 0.00 N ATOM 0 H LYS A 49 2.703 -39.930 19.866 1.00 0.00 H new ATOM 0 HA LYS A 49 4.519 -41.399 18.220 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.392 -38.566 19.293 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.796 -39.130 18.409 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.941 -39.091 17.351 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.196 -37.938 16.944 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.575 -39.770 15.971 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.337 -40.935 16.395 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.086 -40.388 14.053 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.716 -39.721 14.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.270 -37.662 14.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.907 -37.869 14.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.338 -38.363 13.217 1.00 0.00 H new ATOM 836 N ASN A 50 5.728 -40.325 21.109 1.00 0.00 N ATOM 837 CA ASN A 50 6.845 -40.520 22.029 1.00 0.00 C ATOM 838 C ASN A 50 6.645 -39.749 23.330 1.00 0.00 C ATOM 839 O ASN A 50 6.118 -38.637 23.328 1.00 0.00 O ATOM 840 CB ASN A 50 8.156 -40.080 21.352 1.00 0.00 C ATOM 841 CG ASN A 50 9.306 -39.897 22.330 1.00 0.00 C ATOM 842 OD1 ASN A 50 9.536 -38.794 22.832 1.00 0.00 O ATOM 843 ND2 ASN A 50 10.030 -40.970 22.614 1.00 0.00 N ATOM 0 H ASN A 50 5.104 -39.557 21.355 1.00 0.00 H new ATOM 0 HA ASN A 50 6.896 -41.580 22.278 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.438 -40.822 20.605 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.986 -39.143 20.822 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.809 -40.901 23.269 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.808 -41.865 22.178 1.00 0.00 H new ATOM 850 N THR A 51 7.052 -40.357 24.436 1.00 0.00 N ATOM 851 CA THR A 51 7.113 -39.667 25.715 1.00 0.00 C ATOM 852 C THR A 51 8.530 -39.149 25.942 1.00 0.00 C ATOM 853 O THR A 51 9.506 -39.877 25.732 1.00 0.00 O ATOM 854 CB THR A 51 6.700 -40.584 26.898 1.00 0.00 C ATOM 855 OG1 THR A 51 6.855 -39.886 28.143 1.00 0.00 O ATOM 856 CG2 THR A 51 7.523 -41.870 26.928 1.00 0.00 C ATOM 0 H THR A 51 7.346 -41.333 24.472 1.00 0.00 H new ATOM 0 HA THR A 51 6.405 -38.839 25.679 1.00 0.00 H new ATOM 0 HB THR A 51 5.653 -40.853 26.755 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.989 -39.834 28.599 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.205 -42.486 27.769 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.373 -42.420 25.999 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.579 -41.624 27.037 1.00 0.00 H new ATOM 864 N SER A 52 8.643 -37.889 26.343 1.00 0.00 N ATOM 865 CA SER A 52 9.937 -37.303 26.666 1.00 0.00 C ATOM 866 C SER A 52 10.617 -38.119 27.769 1.00 0.00 C ATOM 867 O SER A 52 9.943 -38.821 28.526 1.00 0.00 O ATOM 868 CB SER A 52 9.748 -35.848 27.105 1.00 0.00 C ATOM 869 OG SER A 52 9.040 -35.111 26.119 1.00 0.00 O ATOM 0 H SER A 52 7.853 -37.253 26.452 1.00 0.00 H new ATOM 0 HA SER A 52 10.575 -37.320 25.783 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.204 -35.816 28.049 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.720 -35.388 27.281 1.00 0.00 H new ATOM 0 HG SER A 52 9.134 -34.152 26.297 1.00 0.00 H new ATOM 875 N LYS A 53 11.942 -38.025 27.859 1.00 0.00 N ATOM 876 CA LYS A 53 12.711 -38.814 28.826 1.00 0.00 C ATOM 877 C LYS A 53 12.232 -38.554 30.258 1.00 0.00 C ATOM 878 O LYS A 53 12.299 -39.436 31.118 1.00 0.00 O ATOM 879 CB LYS A 53 14.211 -38.501 28.706 1.00 0.00 C ATOM 880 CG LYS A 53 14.569 -37.059 29.048 1.00 0.00 C ATOM 881 CD LYS A 53 16.072 -36.812 28.977 1.00 0.00 C ATOM 882 CE LYS A 53 16.431 -35.411 29.451 1.00 0.00 C ATOM 883 NZ LYS A 53 16.000 -35.175 30.854 1.00 0.00 N ATOM 0 H LYS A 53 12.508 -37.410 27.274 1.00 0.00 H new ATOM 0 HA LYS A 53 12.551 -39.868 28.598 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.766 -39.169 29.365 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.537 -38.715 27.688 1.00 0.00 H new ATOM 0 HG2 LYS A 53 14.058 -36.386 28.360 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.210 -36.824 30.050 1.00 0.00 H new ATOM 0 HD2 LYS A 53 16.592 -37.549 29.589 1.00 0.00 H new ATOM 0 HD3 LYS A 53 16.416 -36.950 27.952 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.508 -35.266 29.373 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.962 -34.675 28.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.448 -34.308 31.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.966 -35.070 30.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.285 -35.982 31.445 1.00 0.00 H new ATOM 897 N ASN A 54 11.741 -37.337 30.499 1.00 0.00 N ATOM 898 CA ASN A 54 11.223 -36.944 31.814 1.00 0.00 C ATOM 899 C ASN A 54 9.931 -37.698 32.142 1.00 0.00 C ATOM 900 O ASN A 54 9.526 -37.776 33.302 1.00 0.00 O ATOM 901 CB ASN A 54 10.959 -35.427 31.852 1.00 0.00 C ATOM 902 CG ASN A 54 12.218 -34.587 31.668 1.00 0.00 C ATOM 903 OD1 ASN A 54 13.177 -35.010 31.020 1.00 0.00 O ATOM 904 ND2 ASN A 54 12.214 -33.383 32.221 1.00 0.00 N ATOM 0 H ASN A 54 11.691 -36.600 29.795 1.00 0.00 H new ATOM 0 HA ASN A 54 11.975 -37.199 32.561 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.243 -35.171 31.071 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.496 -35.170 32.805 1.00 0.00 H new ATOM 0 HD21 ASN A 54 13.024 -32.771 32.117 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.401 -33.068 32.750 1.00 0.00 H new ATOM 911 N ALA A 55 9.290 -38.236 31.101 1.00 0.00 N ATOM 912 CA ALA A 55 8.018 -38.959 31.225 1.00 0.00 C ATOM 913 C ALA A 55 6.893 -38.031 31.684 1.00 0.00 C ATOM 914 O ALA A 55 5.821 -38.484 32.084 1.00 0.00 O ATOM 915 CB ALA A 55 8.160 -40.154 32.165 1.00 0.00 C ATOM 0 H ALA A 55 9.639 -38.183 30.144 1.00 0.00 H new ATOM 0 HA ALA A 55 7.752 -39.335 30.237 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.205 -40.673 32.240 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.914 -40.837 31.774 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.463 -39.806 33.153 1.00 0.00 H new ATOM 921 N LYS A 56 7.150 -36.727 31.616 1.00 0.00 N ATOM 922 CA LYS A 56 6.158 -35.714 31.976 1.00 0.00 C ATOM 923 C LYS A 56 5.383 -35.266 30.738 1.00 0.00 C ATOM 924 O LYS A 56 4.217 -34.881 30.824 1.00 0.00 O ATOM 925 CB LYS A 56 6.857 -34.508 32.633 1.00 0.00 C ATOM 926 CG LYS A 56 5.942 -33.309 32.901 1.00 0.00 C ATOM 927 CD LYS A 56 4.839 -33.621 33.914 1.00 0.00 C ATOM 928 CE LYS A 56 5.404 -33.912 35.300 1.00 0.00 C ATOM 929 NZ LYS A 56 4.327 -34.107 36.306 1.00 0.00 N ATOM 0 H LYS A 56 8.045 -36.343 31.312 1.00 0.00 H new ATOM 0 HA LYS A 56 5.454 -36.146 32.687 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.298 -34.830 33.576 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.677 -34.186 31.991 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.541 -32.475 33.268 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.488 -32.987 31.964 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.151 -32.778 33.972 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.262 -34.480 33.570 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.028 -34.805 35.258 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.047 -33.088 35.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.751 -34.303 37.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.747 -33.246 36.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.729 -34.909 36.023 1.00 0.00 H new ATOM 943 N PHE A 57 6.035 -35.341 29.582 1.00 0.00 N ATOM 944 CA PHE A 57 5.454 -34.856 28.334 1.00 0.00 C ATOM 945 C PHE A 57 5.181 -36.022 27.387 1.00 0.00 C ATOM 946 O PHE A 57 6.108 -36.614 26.830 1.00 0.00 O ATOM 947 CB PHE A 57 6.400 -33.847 27.667 1.00 0.00 C ATOM 948 CG PHE A 57 6.776 -32.686 28.558 1.00 0.00 C ATOM 949 CD1 PHE A 57 5.948 -31.579 28.666 1.00 0.00 C ATOM 950 CD2 PHE A 57 7.956 -32.708 29.291 1.00 0.00 C ATOM 951 CE1 PHE A 57 6.287 -30.517 29.484 1.00 0.00 C ATOM 952 CE2 PHE A 57 8.299 -31.648 30.111 1.00 0.00 C ATOM 953 CZ PHE A 57 7.464 -30.552 30.207 1.00 0.00 C ATOM 0 H PHE A 57 6.971 -35.735 29.483 1.00 0.00 H new ATOM 0 HA PHE A 57 4.510 -34.360 28.560 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.308 -34.364 27.356 1.00 0.00 H new ATOM 0 HB3 PHE A 57 5.928 -33.462 26.763 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.026 -31.546 28.104 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.613 -33.562 29.220 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.633 -29.661 29.558 1.00 0.00 H new ATOM 0 HE2 PHE A 57 9.219 -31.677 30.676 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.731 -29.723 30.846 1.00 0.00 H new ATOM 963 N TYR A 58 3.906 -36.352 27.227 1.00 0.00 N ATOM 964 CA TYR A 58 3.482 -37.426 26.339 1.00 0.00 C ATOM 965 C TYR A 58 3.027 -36.840 25.004 1.00 0.00 C ATOM 966 O TYR A 58 2.088 -36.044 24.958 1.00 0.00 O ATOM 967 CB TYR A 58 2.343 -38.224 26.984 1.00 0.00 C ATOM 968 CG TYR A 58 2.682 -38.770 28.359 1.00 0.00 C ATOM 969 CD1 TYR A 58 3.480 -39.901 28.505 1.00 0.00 C ATOM 970 CD2 TYR A 58 2.198 -38.158 29.511 1.00 0.00 C ATOM 971 CE1 TYR A 58 3.783 -40.404 29.757 1.00 0.00 C ATOM 972 CE2 TYR A 58 2.499 -38.655 30.763 1.00 0.00 C ATOM 973 CZ TYR A 58 3.290 -39.778 30.881 1.00 0.00 C ATOM 974 OH TYR A 58 3.584 -40.280 32.132 1.00 0.00 O ATOM 0 H TYR A 58 3.138 -35.884 27.708 1.00 0.00 H new ATOM 0 HA TYR A 58 4.322 -38.098 26.164 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.463 -37.585 27.063 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.076 -39.054 26.329 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.869 -40.394 27.626 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.576 -37.279 29.424 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.403 -41.283 29.853 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.116 -38.166 31.647 1.00 0.00 H new ATOM 0 HH TYR A 58 4.392 -39.846 32.477 1.00 0.00 H new ATOM 984 N SER A 59 3.703 -37.219 23.925 1.00 0.00 N ATOM 985 CA SER A 59 3.406 -36.672 22.607 1.00 0.00 C ATOM 986 C SER A 59 2.447 -37.574 21.828 1.00 0.00 C ATOM 987 O SER A 59 2.781 -38.714 21.488 1.00 0.00 O ATOM 988 CB SER A 59 4.703 -36.484 21.817 1.00 0.00 C ATOM 989 OG SER A 59 5.635 -35.689 22.537 1.00 0.00 O ATOM 0 H SER A 59 4.460 -37.903 23.937 1.00 0.00 H new ATOM 0 HA SER A 59 2.919 -35.707 22.746 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.143 -37.457 21.600 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.483 -36.013 20.859 1.00 0.00 H new ATOM 0 HG SER A 59 6.212 -36.269 23.076 1.00 0.00 H new ATOM 995 N PHE A 60 1.264 -37.047 21.541 1.00 0.00 N ATOM 996 CA PHE A 60 0.276 -37.728 20.714 1.00 0.00 C ATOM 997 C PHE A 60 0.257 -37.100 19.326 1.00 0.00 C ATOM 998 O PHE A 60 0.780 -36.000 19.123 1.00 0.00 O ATOM 999 CB PHE A 60 -1.120 -37.636 21.345 1.00 0.00 C ATOM 1000 CG PHE A 60 -1.239 -38.350 22.666 1.00 0.00 C ATOM 1001 CD1 PHE A 60 -1.571 -39.697 22.713 1.00 0.00 C ATOM 1002 CD2 PHE A 60 -1.024 -37.676 23.861 1.00 0.00 C ATOM 1003 CE1 PHE A 60 -1.684 -40.356 23.920 1.00 0.00 C ATOM 1004 CE2 PHE A 60 -1.138 -38.333 25.071 1.00 0.00 C ATOM 1005 CZ PHE A 60 -1.468 -39.673 25.101 1.00 0.00 C ATOM 0 H PHE A 60 0.961 -36.132 21.876 1.00 0.00 H new ATOM 0 HA PHE A 60 0.549 -38.780 20.638 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.376 -36.586 21.486 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.850 -38.052 20.651 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.743 -40.236 21.793 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.765 -36.628 23.844 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.941 -41.405 23.941 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.969 -37.798 25.994 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.557 -40.187 26.047 1.00 0.00 H new ATOM 1015 N ASN A 61 -0.345 -37.801 18.378 1.00 0.00 N ATOM 1016 CA ASN A 61 -0.365 -37.366 16.988 1.00 0.00 C ATOM 1017 C ASN A 61 -1.774 -37.466 16.429 1.00 0.00 C ATOM 1018 O ASN A 61 -2.389 -38.532 16.492 1.00 0.00 O ATOM 1019 CB ASN A 61 0.567 -38.248 16.152 1.00 0.00 C ATOM 1020 CG ASN A 61 0.803 -37.697 14.758 1.00 0.00 C ATOM 1021 OD1 ASN A 61 1.790 -37.005 14.525 1.00 0.00 O ATOM 1022 ND2 ASN A 61 -0.097 -37.989 13.831 1.00 0.00 N ATOM 0 H ASN A 61 -0.831 -38.682 18.547 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.029 -36.330 16.943 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.523 -38.347 16.665 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.141 -39.248 16.075 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.016 -37.635 12.881 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.903 -38.568 14.067 1.00 0.00 H new ATOM 1029 N VAL A 62 -2.278 -36.366 15.884 1.00 0.00 N ATOM 1030 CA VAL A 62 -3.585 -36.359 15.236 1.00 0.00 C ATOM 1031 C VAL A 62 -3.434 -35.959 13.774 1.00 0.00 C ATOM 1032 O VAL A 62 -2.982 -34.862 13.469 1.00 0.00 O ATOM 1033 CB VAL A 62 -4.564 -35.379 15.934 1.00 0.00 C ATOM 1034 CG1 VAL A 62 -5.923 -35.367 15.233 1.00 0.00 C ATOM 1035 CG2 VAL A 62 -4.717 -35.728 17.415 1.00 0.00 C ATOM 0 H VAL A 62 -1.801 -35.465 15.878 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.997 -37.366 15.310 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.143 -34.376 15.863 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.589 -34.672 15.743 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.795 -35.053 14.197 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.354 -36.368 15.258 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.408 -35.028 17.884 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.106 -36.742 17.512 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.746 -35.664 17.906 1.00 0.00 H new ATOM 1045 N SER A 63 -3.809 -36.855 12.874 1.00 0.00 N ATOM 1046 CA SER A 63 -3.784 -36.571 11.444 1.00 0.00 C ATOM 1047 C SER A 63 -5.204 -36.669 10.893 1.00 0.00 C ATOM 1048 O SER A 63 -5.760 -37.764 10.790 1.00 0.00 O ATOM 1049 CB SER A 63 -2.849 -37.555 10.729 1.00 0.00 C ATOM 1050 OG SER A 63 -1.573 -37.592 11.356 1.00 0.00 O ATOM 0 H SER A 63 -4.137 -37.792 13.109 1.00 0.00 H new ATOM 0 HA SER A 63 -3.406 -35.563 11.272 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.290 -38.552 10.735 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.737 -37.263 9.685 1.00 0.00 H new ATOM 0 HG SER A 63 -1.182 -36.694 11.354 1.00 0.00 H new ATOM 1056 N MET A 64 -5.797 -35.526 10.567 1.00 0.00 N ATOM 1057 CA MET A 64 -7.207 -35.474 10.184 1.00 0.00 C ATOM 1058 C MET A 64 -7.415 -34.586 8.961 1.00 0.00 C ATOM 1059 O MET A 64 -6.654 -33.642 8.729 1.00 0.00 O ATOM 1060 CB MET A 64 -8.046 -34.965 11.367 1.00 0.00 C ATOM 1061 CG MET A 64 -7.700 -33.549 11.814 1.00 0.00 C ATOM 1062 SD MET A 64 -8.419 -33.127 13.416 1.00 0.00 S ATOM 1063 CE MET A 64 -10.159 -33.423 13.115 1.00 0.00 C ATOM 0 H MET A 64 -5.325 -34.622 10.560 1.00 0.00 H new ATOM 0 HA MET A 64 -7.531 -36.481 9.920 1.00 0.00 H new ATOM 0 HB2 MET A 64 -9.100 -35.000 11.092 1.00 0.00 H new ATOM 0 HB3 MET A 64 -7.914 -35.643 12.210 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.616 -33.444 11.868 1.00 0.00 H new ATOM 0 HG3 MET A 64 -8.052 -32.840 11.065 1.00 0.00 H new ATOM 0 HE1 MET A 64 -10.728 -32.525 13.356 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.309 -33.677 12.066 1.00 0.00 H new ATOM 0 HE3 MET A 64 -10.501 -34.248 13.740 1.00 0.00 H new ATOM 1073 N GLU A 65 -8.447 -34.904 8.180 1.00 0.00 N ATOM 1074 CA GLU A 65 -8.778 -34.142 6.981 1.00 0.00 C ATOM 1075 C GLU A 65 -9.407 -32.809 7.355 1.00 0.00 C ATOM 1076 O GLU A 65 -10.484 -32.773 7.943 1.00 0.00 O ATOM 1077 CB GLU A 65 -9.755 -34.919 6.090 1.00 0.00 C ATOM 1078 CG GLU A 65 -9.226 -36.259 5.607 1.00 0.00 C ATOM 1079 CD GLU A 65 -10.180 -36.950 4.648 1.00 0.00 C ATOM 1080 OE1 GLU A 65 -10.148 -36.639 3.438 1.00 0.00 O ATOM 1081 OE2 GLU A 65 -10.977 -37.799 5.099 1.00 0.00 O ATOM 0 H GLU A 65 -9.071 -35.690 8.360 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.851 -33.971 6.433 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.680 -35.084 6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.005 -34.306 5.224 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.265 -36.110 5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.047 -36.906 6.466 1.00 0.00 H new ATOM 1088 N VAL A 66 -8.739 -31.720 7.014 1.00 0.00 N ATOM 1089 CA VAL A 66 -9.278 -30.390 7.255 1.00 0.00 C ATOM 1090 C VAL A 66 -9.927 -29.866 5.978 1.00 0.00 C ATOM 1091 O VAL A 66 -9.303 -29.862 4.915 1.00 0.00 O ATOM 1092 CB VAL A 66 -8.185 -29.406 7.754 1.00 0.00 C ATOM 1093 CG1 VAL A 66 -7.726 -29.784 9.163 1.00 0.00 C ATOM 1094 CG2 VAL A 66 -6.996 -29.375 6.793 1.00 0.00 C ATOM 0 H VAL A 66 -7.821 -31.730 6.569 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.028 -30.463 8.043 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.619 -28.407 7.787 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.960 -29.084 9.496 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.575 -29.745 9.845 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.315 -30.794 9.153 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.245 -28.678 7.166 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.561 -30.372 6.720 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.333 -29.053 5.808 1.00 0.00 H new ATOM 1104 N SER A 67 -11.185 -29.444 6.087 1.00 0.00 N ATOM 1105 CA SER A 67 -11.956 -28.995 4.932 1.00 0.00 C ATOM 1106 C SER A 67 -11.349 -27.736 4.323 1.00 0.00 C ATOM 1107 O SER A 67 -11.279 -27.593 3.100 1.00 0.00 O ATOM 1108 CB SER A 67 -13.409 -28.735 5.345 1.00 0.00 C ATOM 1109 OG SER A 67 -13.952 -29.867 6.011 1.00 0.00 O ATOM 0 H SER A 67 -11.694 -29.404 6.970 1.00 0.00 H new ATOM 0 HA SER A 67 -11.931 -29.780 4.177 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.456 -27.865 5.999 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.007 -28.504 4.464 1.00 0.00 H new ATOM 0 HG SER A 67 -14.918 -29.909 5.850 1.00 0.00 H new ATOM 1115 N ASN A 68 -10.897 -26.830 5.182 1.00 0.00 N ATOM 1116 CA ASN A 68 -10.367 -25.549 4.738 1.00 0.00 C ATOM 1117 C ASN A 68 -9.557 -24.886 5.850 1.00 0.00 C ATOM 1118 O ASN A 68 -9.357 -25.473 6.920 1.00 0.00 O ATOM 1119 CB ASN A 68 -11.513 -24.628 4.287 1.00 0.00 C ATOM 1120 CG ASN A 68 -12.471 -24.268 5.412 1.00 0.00 C ATOM 1121 OD1 ASN A 68 -12.597 -24.987 6.403 1.00 0.00 O ATOM 1122 ND2 ASN A 68 -13.174 -23.164 5.253 1.00 0.00 N ATOM 0 H ASN A 68 -10.888 -26.961 6.194 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.704 -25.724 3.891 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.092 -23.713 3.870 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.069 -25.116 3.487 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.848 -22.882 5.964 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.043 -22.592 4.419 1.00 0.00 H new ATOM 1129 N GLU A 69 -9.107 -23.663 5.586 1.00 0.00 N ATOM 1130 CA GLU A 69 -8.278 -22.904 6.521 1.00 0.00 C ATOM 1131 C GLU A 69 -8.970 -22.779 7.880 1.00 0.00 C ATOM 1132 O GLU A 69 -8.352 -22.980 8.929 1.00 0.00 O ATOM 1133 CB GLU A 69 -7.993 -21.513 5.933 1.00 0.00 C ATOM 1134 CG GLU A 69 -7.038 -20.659 6.758 1.00 0.00 C ATOM 1135 CD GLU A 69 -5.655 -21.277 6.880 1.00 0.00 C ATOM 1136 OE1 GLU A 69 -4.930 -21.337 5.865 1.00 0.00 O ATOM 1137 OE2 GLU A 69 -5.289 -21.712 7.985 1.00 0.00 O ATOM 0 H GLU A 69 -9.306 -23.168 4.717 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.337 -23.432 6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.579 -21.634 4.932 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.937 -20.978 5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.952 -19.673 6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.456 -20.513 7.754 1.00 0.00 H new ATOM 1144 N SER A 70 -10.264 -22.472 7.844 1.00 0.00 N ATOM 1145 CA SER A 70 -11.062 -22.296 9.054 1.00 0.00 C ATOM 1146 C SER A 70 -10.938 -23.509 9.981 1.00 0.00 C ATOM 1147 O SER A 70 -10.615 -23.365 11.163 1.00 0.00 O ATOM 1148 CB SER A 70 -12.527 -22.063 8.674 1.00 0.00 C ATOM 1149 OG SER A 70 -12.647 -20.982 7.759 1.00 0.00 O ATOM 0 H SER A 70 -10.787 -22.339 6.979 1.00 0.00 H new ATOM 0 HA SER A 70 -10.686 -21.427 9.593 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.940 -22.969 8.230 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.111 -21.853 9.570 1.00 0.00 H new ATOM 0 HG SER A 70 -13.591 -20.852 7.528 1.00 0.00 H new ATOM 1155 N GLU A 71 -11.164 -24.705 9.432 1.00 0.00 N ATOM 1156 CA GLU A 71 -11.087 -25.938 10.216 1.00 0.00 C ATOM 1157 C GLU A 71 -9.696 -26.097 10.829 1.00 0.00 C ATOM 1158 O GLU A 71 -9.563 -26.414 12.010 1.00 0.00 O ATOM 1159 CB GLU A 71 -11.403 -27.165 9.342 1.00 0.00 C ATOM 1160 CG GLU A 71 -12.772 -27.128 8.668 1.00 0.00 C ATOM 1161 CD GLU A 71 -13.939 -27.127 9.649 1.00 0.00 C ATOM 1162 OE1 GLU A 71 -14.326 -28.218 10.121 1.00 0.00 O ATOM 1163 OE2 GLU A 71 -14.493 -26.039 9.924 1.00 0.00 O ATOM 0 H GLU A 71 -11.401 -24.845 8.450 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.827 -25.872 11.013 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.636 -27.254 8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.341 -28.061 9.960 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.835 -26.238 8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.865 -27.990 8.007 1.00 0.00 H new ATOM 1170 N ARG A 72 -8.669 -25.837 10.021 1.00 0.00 N ATOM 1171 CA ARG A 72 -7.281 -26.065 10.427 1.00 0.00 C ATOM 1172 C ARG A 72 -6.915 -25.232 11.660 1.00 0.00 C ATOM 1173 O ARG A 72 -6.079 -25.643 12.470 1.00 0.00 O ATOM 1174 CB ARG A 72 -6.327 -25.762 9.254 1.00 0.00 C ATOM 1175 CG ARG A 72 -4.858 -26.125 9.517 1.00 0.00 C ATOM 1176 CD ARG A 72 -4.017 -24.924 9.953 1.00 0.00 C ATOM 1177 NE ARG A 72 -3.908 -23.924 8.888 1.00 0.00 N ATOM 1178 CZ ARG A 72 -2.757 -23.484 8.372 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -1.591 -23.895 8.852 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -2.775 -22.609 7.379 1.00 0.00 N ATOM 0 H ARG A 72 -8.772 -25.466 9.076 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.175 -27.115 10.700 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.670 -26.305 8.374 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.389 -24.700 9.017 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.811 -26.894 10.288 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.428 -26.554 8.612 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.464 -24.468 10.836 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.021 -25.262 10.239 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.774 -23.536 8.513 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.564 -24.557 9.627 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.722 -23.549 8.446 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.665 -22.273 7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.899 -22.270 6.982 1.00 0.00 H new ATOM 1194 N ASN A 73 -7.542 -24.066 11.797 1.00 0.00 N ATOM 1195 CA ASN A 73 -7.300 -23.191 12.949 1.00 0.00 C ATOM 1196 C ASN A 73 -8.241 -23.540 14.100 1.00 0.00 C ATOM 1197 O ASN A 73 -7.825 -23.599 15.261 1.00 0.00 O ATOM 1198 CB ASN A 73 -7.470 -21.714 12.563 1.00 0.00 C ATOM 1199 CG ASN A 73 -6.387 -21.228 11.615 1.00 0.00 C ATOM 1200 OD1 ASN A 73 -5.332 -20.759 12.048 1.00 0.00 O ATOM 1201 ND2 ASN A 73 -6.638 -21.328 10.322 1.00 0.00 N ATOM 0 H ASN A 73 -8.221 -23.703 11.128 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.272 -23.348 13.275 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.445 -21.574 12.096 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -7.458 -21.103 13.466 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.947 -21.011 9.642 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.523 -21.722 10.003 1.00 0.00 H new ATOM 1208 N GLU A 74 -9.508 -23.776 13.768 1.00 0.00 N ATOM 1209 CA GLU A 74 -10.532 -24.084 14.764 1.00 0.00 C ATOM 1210 C GLU A 74 -10.149 -25.311 15.588 1.00 0.00 C ATOM 1211 O GLU A 74 -10.139 -25.262 16.822 1.00 0.00 O ATOM 1212 CB GLU A 74 -11.889 -24.314 14.087 1.00 0.00 C ATOM 1213 CG GLU A 74 -12.967 -24.801 15.048 1.00 0.00 C ATOM 1214 CD GLU A 74 -14.340 -24.915 14.411 1.00 0.00 C ATOM 1215 OE1 GLU A 74 -14.808 -23.922 13.817 1.00 0.00 O ATOM 1216 OE2 GLU A 74 -14.971 -25.985 14.532 1.00 0.00 O ATOM 0 H GLU A 74 -9.852 -23.760 12.808 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.609 -23.229 15.435 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.218 -23.384 13.624 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.769 -25.044 13.287 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.677 -25.774 15.444 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.024 -24.117 15.895 1.00 0.00 H new ATOM 1223 N ILE A 75 -9.832 -26.398 14.892 1.00 0.00 N ATOM 1224 CA ILE A 75 -9.475 -27.662 15.532 1.00 0.00 C ATOM 1225 C ILE A 75 -8.308 -27.467 16.495 1.00 0.00 C ATOM 1226 O ILE A 75 -8.307 -28.004 17.601 1.00 0.00 O ATOM 1227 CB ILE A 75 -9.110 -28.732 14.472 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -10.294 -28.944 13.513 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -8.713 -30.050 15.139 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -9.975 -29.806 12.313 1.00 0.00 C ATOM 0 H ILE A 75 -9.815 -26.429 13.873 1.00 0.00 H new ATOM 0 HA ILE A 75 -10.342 -28.009 16.095 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.252 -28.377 13.901 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -11.116 -29.399 14.065 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.643 -27.972 13.165 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.462 -30.784 14.373 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.849 -29.886 15.782 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -9.546 -30.420 15.737 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.863 -29.905 11.689 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.175 -29.343 11.735 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.656 -30.793 12.648 1.00 0.00 H new ATOM 1242 N PHE A 76 -7.337 -26.663 16.074 1.00 0.00 N ATOM 1243 CA PHE A 76 -6.157 -26.376 16.887 1.00 0.00 C ATOM 1244 C PHE A 76 -6.573 -25.767 18.228 1.00 0.00 C ATOM 1245 O PHE A 76 -6.138 -26.220 19.289 1.00 0.00 O ATOM 1246 CB PHE A 76 -5.214 -25.424 16.134 1.00 0.00 C ATOM 1247 CG PHE A 76 -3.952 -25.083 16.891 1.00 0.00 C ATOM 1248 CD1 PHE A 76 -2.873 -25.956 16.896 1.00 0.00 C ATOM 1249 CD2 PHE A 76 -3.848 -23.891 17.598 1.00 0.00 C ATOM 1250 CE1 PHE A 76 -1.718 -25.647 17.589 1.00 0.00 C ATOM 1251 CE2 PHE A 76 -2.694 -23.581 18.292 1.00 0.00 C ATOM 1252 CZ PHE A 76 -1.629 -24.459 18.287 1.00 0.00 C ATOM 0 H PHE A 76 -7.343 -26.195 15.168 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.628 -27.309 17.080 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.942 -25.877 15.181 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.750 -24.502 15.908 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.937 -26.887 16.352 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.678 -23.200 17.605 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.885 -26.335 17.585 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.625 -22.652 18.838 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.727 -24.217 18.829 1.00 0.00 H new ATOM 1262 N GLN A 77 -7.428 -24.748 18.163 1.00 0.00 N ATOM 1263 CA GLN A 77 -7.941 -24.081 19.362 1.00 0.00 C ATOM 1264 C GLN A 77 -8.698 -25.065 20.252 1.00 0.00 C ATOM 1265 O GLN A 77 -8.663 -24.970 21.479 1.00 0.00 O ATOM 1266 CB GLN A 77 -8.881 -22.937 18.972 1.00 0.00 C ATOM 1267 CG GLN A 77 -8.222 -21.833 18.155 1.00 0.00 C ATOM 1268 CD GLN A 77 -9.218 -20.776 17.703 1.00 0.00 C ATOM 1269 OE1 GLN A 77 -10.391 -21.075 17.455 1.00 0.00 O ATOM 1270 NE2 GLN A 77 -8.768 -19.535 17.608 1.00 0.00 N ATOM 0 H GLN A 77 -7.783 -24.363 17.288 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.088 -23.685 19.913 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.715 -23.346 18.402 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.299 -22.501 19.879 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -7.440 -21.361 18.750 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.738 -22.270 17.282 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.792 -19.329 17.821 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.397 -18.785 17.321 1.00 0.00 H new ATOM 1279 N LYS A 78 -9.395 -25.999 19.614 1.00 0.00 N ATOM 1280 CA LYS A 78 -10.184 -26.997 20.325 1.00 0.00 C ATOM 1281 C LYS A 78 -9.277 -27.994 21.045 1.00 0.00 C ATOM 1282 O LYS A 78 -9.570 -28.419 22.164 1.00 0.00 O ATOM 1283 CB LYS A 78 -11.107 -27.733 19.344 1.00 0.00 C ATOM 1284 CG LYS A 78 -12.214 -26.861 18.752 1.00 0.00 C ATOM 1285 CD LYS A 78 -13.276 -26.504 19.795 1.00 0.00 C ATOM 1286 CE LYS A 78 -14.479 -25.792 19.178 1.00 0.00 C ATOM 1287 NZ LYS A 78 -14.126 -24.455 18.631 1.00 0.00 N ATOM 0 H LYS A 78 -9.429 -26.085 18.598 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.792 -26.487 21.072 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.505 -28.138 18.531 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.562 -28.580 19.857 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.779 -25.947 18.348 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.684 -27.385 17.920 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.612 -27.413 20.294 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.832 -25.866 20.559 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.894 -26.410 18.382 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.257 -25.679 19.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.721 -23.729 19.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.125 -24.253 18.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.285 -24.447 17.603 1.00 0.00 H new ATOM 1301 N ILE A 79 -8.169 -28.346 20.399 1.00 0.00 N ATOM 1302 CA ILE A 79 -7.227 -29.321 20.945 1.00 0.00 C ATOM 1303 C ILE A 79 -6.577 -28.806 22.232 1.00 0.00 C ATOM 1304 O ILE A 79 -6.228 -29.583 23.118 1.00 0.00 O ATOM 1305 CB ILE A 79 -6.130 -29.690 19.906 1.00 0.00 C ATOM 1306 CG1 ILE A 79 -6.755 -30.427 18.708 1.00 0.00 C ATOM 1307 CG2 ILE A 79 -5.026 -30.536 20.544 1.00 0.00 C ATOM 1308 CD1 ILE A 79 -5.762 -30.791 17.622 1.00 0.00 C ATOM 0 H ILE A 79 -7.899 -27.968 19.491 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.796 -30.220 21.181 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.676 -28.765 19.549 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.237 -31.337 19.065 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.536 -29.801 18.277 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.274 -30.778 19.793 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.562 -29.976 21.356 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.455 -31.457 20.938 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.280 -31.307 16.814 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.298 -29.884 17.235 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.993 -31.444 18.036 1.00 0.00 H new ATOM 1320 N SER A 80 -6.427 -27.494 22.342 1.00 0.00 N ATOM 1321 CA SER A 80 -5.791 -26.898 23.511 1.00 0.00 C ATOM 1322 C SER A 80 -6.791 -26.684 24.657 1.00 0.00 C ATOM 1323 O SER A 80 -6.459 -26.072 25.675 1.00 0.00 O ATOM 1324 CB SER A 80 -5.122 -25.582 23.111 1.00 0.00 C ATOM 1325 OG SER A 80 -6.018 -24.755 22.390 1.00 0.00 O ATOM 0 H SER A 80 -6.736 -26.822 21.639 1.00 0.00 H new ATOM 0 HA SER A 80 -5.033 -27.588 23.881 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.777 -25.059 24.003 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.242 -25.788 22.502 1.00 0.00 H new ATOM 0 HG SER A 80 -6.916 -25.148 22.412 1.00 0.00 H new ATOM 1331 N GLN A 81 -8.005 -27.216 24.505 1.00 0.00 N ATOM 1332 CA GLN A 81 -9.047 -27.069 25.526 1.00 0.00 C ATOM 1333 C GLN A 81 -9.049 -28.241 26.513 1.00 0.00 C ATOM 1334 O GLN A 81 -9.834 -28.247 27.463 1.00 0.00 O ATOM 1335 CB GLN A 81 -10.433 -26.964 24.872 1.00 0.00 C ATOM 1336 CG GLN A 81 -10.623 -25.734 23.992 1.00 0.00 C ATOM 1337 CD GLN A 81 -12.000 -25.683 23.344 1.00 0.00 C ATOM 1338 OE1 GLN A 81 -12.551 -24.607 23.103 1.00 0.00 O ATOM 1339 NE2 GLN A 81 -12.562 -26.848 23.043 1.00 0.00 N ATOM 0 H GLN A 81 -8.292 -27.752 23.686 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.825 -26.154 26.075 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.606 -27.856 24.270 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.191 -26.956 25.655 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.475 -24.836 24.592 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.859 -25.727 23.214 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.076 -27.719 23.257 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.479 -26.872 22.598 1.00 0.00 H new ATOM 1348 N LEU A 82 -8.175 -29.226 26.297 1.00 0.00 N ATOM 1349 CA LEU A 82 -8.191 -30.448 27.116 1.00 0.00 C ATOM 1350 C LEU A 82 -7.812 -30.150 28.562 1.00 0.00 C ATOM 1351 O LEU A 82 -8.161 -30.918 29.459 1.00 0.00 O ATOM 1352 CB LEU A 82 -7.234 -31.521 26.565 1.00 0.00 C ATOM 1353 CG LEU A 82 -7.166 -31.620 25.038 1.00 0.00 C ATOM 1354 CD1 LEU A 82 -6.104 -32.624 24.601 1.00 0.00 C ATOM 1355 CD2 LEU A 82 -8.529 -31.978 24.458 1.00 0.00 C ATOM 0 H LEU A 82 -7.456 -29.207 25.574 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.211 -30.829 27.077 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.232 -31.319 26.944 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.535 -32.490 26.962 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.880 -30.643 24.649 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.077 -32.674 23.513 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.130 -32.308 24.974 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.345 -33.608 25.004 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.457 -32.043 23.372 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.854 -32.938 24.858 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.253 -31.209 24.728 1.00 0.00 H new ATOM 1367 N ASP A 83 -7.059 -29.058 28.769 1.00 0.00 N ATOM 1368 CA ASP A 83 -6.522 -28.692 30.094 1.00 0.00 C ATOM 1369 C ASP A 83 -5.362 -29.618 30.484 1.00 0.00 C ATOM 1370 O ASP A 83 -4.377 -29.189 31.090 1.00 0.00 O ATOM 1371 CB ASP A 83 -7.631 -28.704 31.165 1.00 0.00 C ATOM 1372 CG ASP A 83 -7.107 -28.491 32.578 1.00 0.00 C ATOM 1373 OD1 ASP A 83 -6.596 -27.389 32.875 1.00 0.00 O ATOM 1374 OD2 ASP A 83 -7.224 -29.420 33.408 1.00 0.00 O ATOM 0 H ASP A 83 -6.805 -28.405 28.028 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.135 -27.675 30.034 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.358 -27.926 30.934 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.159 -29.657 31.121 1.00 0.00 H new ATOM 1379 N LYS A 84 -5.495 -30.890 30.120 1.00 0.00 N ATOM 1380 CA LYS A 84 -4.447 -31.891 30.300 1.00 0.00 C ATOM 1381 C LYS A 84 -3.284 -31.643 29.342 1.00 0.00 C ATOM 1382 O LYS A 84 -2.168 -32.124 29.555 1.00 0.00 O ATOM 1383 CB LYS A 84 -5.041 -33.272 30.023 1.00 0.00 C ATOM 1384 CG LYS A 84 -6.235 -33.618 30.905 1.00 0.00 C ATOM 1385 CD LYS A 84 -7.089 -34.717 30.282 1.00 0.00 C ATOM 1386 CE LYS A 84 -8.129 -35.247 31.262 1.00 0.00 C ATOM 1387 NZ LYS A 84 -8.980 -36.307 30.663 1.00 0.00 N ATOM 0 H LYS A 84 -6.342 -31.259 29.687 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.070 -31.830 31.321 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.347 -33.322 28.978 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.266 -34.025 30.165 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.884 -33.940 31.885 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.844 -32.727 31.062 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.589 -34.330 29.394 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.447 -35.535 29.955 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.625 -35.644 32.144 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.760 -34.425 31.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.851 -36.410 31.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.223 -36.046 29.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.462 -37.209 30.661 1.00 0.00 H new ATOM 1401 N VAL A 85 -3.566 -30.914 28.269 1.00 0.00 N ATOM 1402 CA VAL A 85 -2.570 -30.625 27.249 1.00 0.00 C ATOM 1403 C VAL A 85 -1.634 -29.512 27.720 1.00 0.00 C ATOM 1404 O VAL A 85 -2.078 -28.506 28.280 1.00 0.00 O ATOM 1405 CB VAL A 85 -3.236 -30.233 25.905 1.00 0.00 C ATOM 1406 CG1 VAL A 85 -4.123 -29.001 26.069 1.00 0.00 C ATOM 1407 CG2 VAL A 85 -2.183 -30.017 24.819 1.00 0.00 C ATOM 0 H VAL A 85 -4.484 -30.510 28.084 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.988 -31.532 27.084 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.875 -31.059 25.592 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.577 -28.749 25.111 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.906 -29.211 26.797 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.520 -28.162 26.416 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.674 -29.743 23.885 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.507 -29.217 25.122 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.616 -30.936 24.674 1.00 0.00 H new ATOM 1417 N VAL A 86 -0.340 -29.707 27.502 1.00 0.00 N ATOM 1418 CA VAL A 86 0.672 -28.764 27.967 1.00 0.00 C ATOM 1419 C VAL A 86 1.253 -27.957 26.801 1.00 0.00 C ATOM 1420 O VAL A 86 1.725 -26.832 26.989 1.00 0.00 O ATOM 1421 CB VAL A 86 1.806 -29.504 28.726 1.00 0.00 C ATOM 1422 CG1 VAL A 86 2.545 -30.472 27.807 1.00 0.00 C ATOM 1423 CG2 VAL A 86 2.772 -28.514 29.371 1.00 0.00 C ATOM 0 H VAL A 86 0.036 -30.514 27.004 1.00 0.00 H new ATOM 0 HA VAL A 86 0.188 -28.070 28.654 1.00 0.00 H new ATOM 0 HB VAL A 86 1.345 -30.089 29.522 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.333 -30.975 28.367 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.845 -31.213 27.420 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.985 -29.921 26.976 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.556 -29.060 29.896 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.220 -27.888 28.600 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.231 -27.886 30.079 1.00 0.00 H new ATOM 1433 N GLN A 87 1.201 -28.522 25.594 1.00 0.00 N ATOM 1434 CA GLN A 87 1.740 -27.850 24.412 1.00 0.00 C ATOM 1435 C GLN A 87 1.121 -28.414 23.132 1.00 0.00 C ATOM 1436 O GLN A 87 1.172 -29.620 22.885 1.00 0.00 O ATOM 1437 CB GLN A 87 3.269 -27.993 24.376 1.00 0.00 C ATOM 1438 CG GLN A 87 3.950 -27.255 23.226 1.00 0.00 C ATOM 1439 CD GLN A 87 3.602 -25.773 23.178 1.00 0.00 C ATOM 1440 OE1 GLN A 87 4.229 -24.954 23.850 1.00 0.00 O ATOM 1441 NE2 GLN A 87 2.628 -25.415 22.355 1.00 0.00 N ATOM 0 H GLN A 87 0.793 -29.439 25.410 1.00 0.00 H new ATOM 0 HA GLN A 87 1.485 -26.792 24.472 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.677 -27.626 25.318 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.520 -29.052 24.310 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.030 -27.366 23.320 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.663 -27.720 22.283 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.131 -26.123 21.814 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.375 -24.431 22.262 1.00 0.00 H new ATOM 1450 N THR A 88 0.520 -27.535 22.336 1.00 0.00 N ATOM 1451 CA THR A 88 -0.062 -27.911 21.052 1.00 0.00 C ATOM 1452 C THR A 88 0.755 -27.324 19.902 1.00 0.00 C ATOM 1453 O THR A 88 1.036 -26.126 19.888 1.00 0.00 O ATOM 1454 CB THR A 88 -1.519 -27.407 20.947 1.00 0.00 C ATOM 1455 OG1 THR A 88 -1.579 -26.026 21.333 1.00 0.00 O ATOM 1456 CG2 THR A 88 -2.454 -28.222 21.834 1.00 0.00 C ATOM 0 H THR A 88 0.423 -26.545 22.562 1.00 0.00 H new ATOM 0 HA THR A 88 -0.052 -28.999 20.985 1.00 0.00 H new ATOM 0 HB THR A 88 -1.843 -27.521 19.913 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.613 -25.463 20.531 1.00 0.00 H new ATOM 0 HG21 THR A 88 -3.471 -27.842 21.737 1.00 0.00 H new ATOM 0 HG22 THR A 88 -2.427 -29.268 21.527 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.134 -28.140 22.873 1.00 0.00 H new ATOM 1464 N LEU A 89 1.153 -28.171 18.955 1.00 0.00 N ATOM 1465 CA LEU A 89 1.885 -27.724 17.770 1.00 0.00 C ATOM 1466 C LEU A 89 1.051 -28.000 16.523 1.00 0.00 C ATOM 1467 O LEU A 89 0.600 -29.128 16.309 1.00 0.00 O ATOM 1468 CB LEU A 89 3.249 -28.432 17.646 1.00 0.00 C ATOM 1469 CG LEU A 89 4.245 -28.225 18.806 1.00 0.00 C ATOM 1470 CD1 LEU A 89 4.397 -26.744 19.147 1.00 0.00 C ATOM 1471 CD2 LEU A 89 3.839 -29.034 20.038 1.00 0.00 C ATOM 0 H LEU A 89 0.980 -29.176 18.985 1.00 0.00 H new ATOM 0 HA LEU A 89 2.069 -26.654 17.869 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.069 -29.502 17.539 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.725 -28.095 16.725 1.00 0.00 H new ATOM 0 HG LEU A 89 5.216 -28.592 18.474 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.105 -26.630 19.968 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.765 -26.205 18.274 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.430 -26.338 19.443 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.561 -28.866 20.837 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.850 -28.719 20.370 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.816 -30.094 19.786 1.00 0.00 H new