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 40 TYR OH : rot 98:sc= -1.19 USER MOD Set 1.2: A 78 LYS NZ :NH3+ -174:sc= 0.681 (180deg=-0.382) USER MOD Set 2.1: A 61 ASN : amide:sc= 0.46 K(o=1.7,f=-0.26) USER MOD Set 2.2: A 63 SER OG : rot -102:sc= 1.2 USER MOD Single : A 15 TYR OH : rot -125:sc= 0.294 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.648 USER MOD Single : A 21 TYR OH : rot -115:sc= -1.69 USER MOD Single : A 25 MET CE :methyl -128:sc= -0.146 (180deg=-1.51!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00669 USER MOD Single : A 27 THR OG1 : rot 160:sc= 0.486 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -141:sc= -1.05 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0317 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -78:sc= 1.29 USER MOD Single : A 41 GLN : amide:sc= 0.447 K(o=0.45,f=-0.15) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= 1.1 (180deg=1.02) USER MOD Single : A 50 ASN : amide:sc= -0.321 K(o=-0.32,f=-2.9!) USER MOD Single : A 51 THR OG1 : rot 25:sc= -0.077 USER MOD Single : A 52 SER OG : rot 180:sc= -0.194 USER MOD Single : A 53 LYS NZ :NH3+ 161:sc= -0.0775 (180deg=-0.486) USER MOD Single : A 54 ASN : amide:sc= -0.73 K(o=-0.73,f=-10!) USER MOD Single : A 56 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0972) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 163:sc= -1.27 (180deg=-3.35!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.549 K(o=0.55,f=-7.8!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 1.47 K(o=1.5,f=-4.7!) USER MOD Single : A 77 GLN : amide:sc= -1.86! K(o=-1.9!,f=-0.58) USER MOD Single : A 80 SER OG : rot 3:sc= 0.99 USER MOD Single : A 81 GLN : amide:sc= -1.44 K(o=-1.4,f=-0.13) USER MOD Single : A 84 LYS NZ :NH3+ -131:sc= -0.384 (180deg=-0.643) USER MOD Single : A 87 GLN : amide:sc= -1.15 X(o=-1.2,f=-0.66) USER MOD Single : A 88 THR OG1 : rot 93:sc= 0.349 USER MOD ----------------------------------------------------------------- ATOM 220 N TYR A 15 -5.148 -28.007 0.026 1.00 0.00 N ATOM 221 CA TYR A 15 -6.174 -28.483 0.946 1.00 0.00 C ATOM 222 C TYR A 15 -7.357 -29.062 0.161 1.00 0.00 C ATOM 223 O TYR A 15 -7.604 -28.650 -0.977 1.00 0.00 O ATOM 224 CB TYR A 15 -6.641 -27.332 1.848 1.00 0.00 C ATOM 225 CG TYR A 15 -5.543 -26.752 2.726 1.00 0.00 C ATOM 226 CD1 TYR A 15 -4.659 -25.795 2.236 1.00 0.00 C ATOM 227 CD2 TYR A 15 -5.390 -27.164 4.046 1.00 0.00 C ATOM 228 CE1 TYR A 15 -3.660 -25.268 3.035 1.00 0.00 C ATOM 229 CE2 TYR A 15 -4.394 -26.640 4.848 1.00 0.00 C ATOM 230 CZ TYR A 15 -3.533 -25.694 4.338 1.00 0.00 C ATOM 231 OH TYR A 15 -2.541 -25.171 5.136 1.00 0.00 O ATOM 0 HA TYR A 15 -5.755 -29.271 1.572 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -7.051 -26.538 1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -7.451 -27.688 2.484 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.755 -25.458 1.214 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.062 -27.907 4.451 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.983 -24.526 2.638 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.291 -26.971 5.871 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.999 -25.900 5.504 1.00 0.00 H new ATOM 241 N PRO A 16 -8.101 -30.031 0.737 1.00 0.00 N ATOM 242 CA PRO A 16 -7.838 -30.599 2.066 1.00 0.00 C ATOM 243 C PRO A 16 -6.763 -31.694 2.029 1.00 0.00 C ATOM 244 O PRO A 16 -6.550 -32.332 0.994 1.00 0.00 O ATOM 245 CB PRO A 16 -9.206 -31.188 2.486 1.00 0.00 C ATOM 246 CG PRO A 16 -10.144 -30.917 1.345 1.00 0.00 C ATOM 247 CD PRO A 16 -9.284 -30.649 0.141 1.00 0.00 C ATOM 0 HA PRO A 16 -7.455 -29.852 2.761 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.127 -32.258 2.680 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.565 -30.723 3.404 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.800 -31.770 1.171 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.784 -30.062 1.563 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.038 -31.565 -0.395 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.775 -29.985 -0.570 1.00 0.00 H new ATOM 255 N CYS A 17 -6.096 -31.908 3.160 1.00 0.00 N ATOM 256 CA CYS A 17 -5.028 -32.902 3.256 1.00 0.00 C ATOM 257 C CYS A 17 -4.771 -33.273 4.712 1.00 0.00 C ATOM 258 O CYS A 17 -5.132 -32.522 5.625 1.00 0.00 O ATOM 259 CB CYS A 17 -3.738 -32.365 2.618 1.00 0.00 C ATOM 260 SG CYS A 17 -2.336 -33.502 2.709 1.00 0.00 S ATOM 0 H CYS A 17 -6.277 -31.404 4.028 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.344 -33.795 2.717 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.934 -32.131 1.572 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.466 -31.430 3.108 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.299 -32.959 2.143 1.00 0.00 H new ATOM 266 N LEU A 18 -4.162 -34.440 4.919 1.00 0.00 N ATOM 267 CA LEU A 18 -3.815 -34.913 6.256 1.00 0.00 C ATOM 268 C LEU A 18 -2.722 -34.043 6.875 1.00 0.00 C ATOM 269 O LEU A 18 -1.550 -34.136 6.499 1.00 0.00 O ATOM 270 CB LEU A 18 -3.359 -36.380 6.199 1.00 0.00 C ATOM 271 CG LEU A 18 -4.467 -37.395 5.878 1.00 0.00 C ATOM 272 CD1 LEU A 18 -3.868 -38.750 5.515 1.00 0.00 C ATOM 273 CD2 LEU A 18 -5.427 -37.536 7.059 1.00 0.00 C ATOM 0 H LEU A 18 -3.897 -35.079 4.170 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.703 -34.843 6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.575 -36.472 5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.913 -36.643 7.158 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.028 -37.026 5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.670 -39.454 5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.226 -38.642 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.280 -39.124 6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.204 -38.259 6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.878 -37.879 7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.885 -36.570 7.273 1.00 0.00 H new ATOM 285 N TRP A 19 -3.123 -33.183 7.799 1.00 0.00 N ATOM 286 CA TRP A 19 -2.193 -32.329 8.525 1.00 0.00 C ATOM 287 C TRP A 19 -1.855 -32.978 9.868 1.00 0.00 C ATOM 288 O TRP A 19 -2.723 -33.584 10.506 1.00 0.00 O ATOM 289 CB TRP A 19 -2.809 -30.936 8.732 1.00 0.00 C ATOM 290 CG TRP A 19 -1.822 -29.901 9.194 1.00 0.00 C ATOM 291 CD1 TRP A 19 -1.360 -29.716 10.464 1.00 0.00 C ATOM 292 CD2 TRP A 19 -1.186 -28.902 8.385 1.00 0.00 C ATOM 293 NE1 TRP A 19 -0.466 -28.677 10.492 1.00 0.00 N ATOM 294 CE2 TRP A 19 -0.343 -28.158 9.230 1.00 0.00 C ATOM 295 CE3 TRP A 19 -1.242 -28.571 7.029 1.00 0.00 C ATOM 296 CZ2 TRP A 19 0.436 -27.101 8.765 1.00 0.00 C ATOM 297 CZ3 TRP A 19 -0.470 -27.519 6.568 1.00 0.00 C ATOM 298 CH2 TRP A 19 0.360 -26.796 7.434 1.00 0.00 C ATOM 0 H TRP A 19 -4.099 -33.057 8.067 1.00 0.00 H new ATOM 0 HA TRP A 19 -1.275 -32.212 7.948 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -3.258 -30.604 7.796 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -3.614 -31.010 9.463 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -1.655 -30.302 11.322 1.00 0.00 H new ATOM 0 HE1 TRP A 19 0.028 -28.344 11.320 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -1.876 -29.126 6.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 1.077 -26.543 9.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -0.508 -27.251 5.522 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.952 -25.982 7.043 1.00 0.00 H new ATOM 309 N ASP A 20 -0.598 -32.860 10.286 1.00 0.00 N ATOM 310 CA ASP A 20 -0.124 -33.500 11.513 1.00 0.00 C ATOM 311 C ASP A 20 -0.176 -32.541 12.697 1.00 0.00 C ATOM 312 O ASP A 20 0.296 -31.403 12.616 1.00 0.00 O ATOM 313 CB ASP A 20 1.309 -34.024 11.335 1.00 0.00 C ATOM 314 CG ASP A 20 1.380 -35.234 10.415 1.00 0.00 C ATOM 315 OD1 ASP A 20 1.539 -35.055 9.190 1.00 0.00 O ATOM 316 OD2 ASP A 20 1.282 -36.375 10.917 1.00 0.00 O ATOM 0 H ASP A 20 0.115 -32.325 9.791 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.789 -34.339 11.719 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.935 -33.228 10.932 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.719 -34.289 12.310 1.00 0.00 H new ATOM 321 N TYR A 21 -0.759 -33.016 13.794 1.00 0.00 N ATOM 322 CA TYR A 21 -0.827 -32.269 15.045 1.00 0.00 C ATOM 323 C TYR A 21 -0.217 -33.098 16.172 1.00 0.00 C ATOM 324 O TYR A 21 -0.784 -34.116 16.583 1.00 0.00 O ATOM 325 CB TYR A 21 -2.281 -31.914 15.388 1.00 0.00 C ATOM 326 CG TYR A 21 -2.948 -30.995 14.380 1.00 0.00 C ATOM 327 CD1 TYR A 21 -2.747 -29.618 14.422 1.00 0.00 C ATOM 328 CD2 TYR A 21 -3.783 -31.504 13.389 1.00 0.00 C ATOM 329 CE1 TYR A 21 -3.357 -28.778 13.511 1.00 0.00 C ATOM 330 CE2 TYR A 21 -4.395 -30.669 12.474 1.00 0.00 C ATOM 331 CZ TYR A 21 -4.180 -29.308 12.541 1.00 0.00 C ATOM 332 OH TYR A 21 -4.787 -28.472 11.633 1.00 0.00 O ATOM 0 H TYR A 21 -1.200 -33.935 13.840 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.264 -31.343 14.928 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.860 -32.834 15.464 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.306 -31.439 16.369 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.102 -29.199 15.181 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.955 -32.569 13.335 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.190 -27.712 13.559 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.039 -31.080 11.710 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.758 -28.501 11.760 1.00 0.00 H new ATOM 342 N ARG A 22 0.945 -32.680 16.652 1.00 0.00 N ATOM 343 CA ARG A 22 1.632 -33.391 17.723 1.00 0.00 C ATOM 344 C ARG A 22 1.153 -32.873 19.080 1.00 0.00 C ATOM 345 O ARG A 22 1.383 -31.715 19.428 1.00 0.00 O ATOM 346 CB ARG A 22 3.150 -33.222 17.582 1.00 0.00 C ATOM 347 CG ARG A 22 3.966 -34.096 18.528 1.00 0.00 C ATOM 348 CD ARG A 22 3.710 -35.581 18.290 1.00 0.00 C ATOM 349 NE ARG A 22 3.916 -35.962 16.886 1.00 0.00 N ATOM 350 CZ ARG A 22 4.912 -36.737 16.455 1.00 0.00 C ATOM 351 NH1 ARG A 22 5.848 -37.160 17.298 1.00 0.00 N ATOM 352 NH2 ARG A 22 4.992 -37.065 15.170 1.00 0.00 N ATOM 0 H ARG A 22 1.434 -31.850 16.317 1.00 0.00 H new ATOM 0 HA ARG A 22 1.399 -34.454 17.654 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.436 -33.451 16.556 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.406 -32.177 17.758 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.027 -33.884 18.395 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.718 -33.845 19.559 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.373 -36.169 18.925 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.689 -35.824 18.584 1.00 0.00 H new ATOM 0 HE ARG A 22 3.253 -35.610 16.195 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.807 -36.892 18.281 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.607 -37.753 16.962 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.291 -36.724 14.512 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.754 -37.658 14.841 1.00 0.00 H new ATOM 366 N VAL A 23 0.477 -33.732 19.832 1.00 0.00 N ATOM 367 CA VAL A 23 -0.122 -33.346 21.107 1.00 0.00 C ATOM 368 C VAL A 23 0.666 -33.945 22.270 1.00 0.00 C ATOM 369 O VAL A 23 0.947 -35.140 22.279 1.00 0.00 O ATOM 370 CB VAL A 23 -1.594 -33.822 21.195 1.00 0.00 C ATOM 371 CG1 VAL A 23 -2.268 -33.300 22.466 1.00 0.00 C ATOM 372 CG2 VAL A 23 -2.373 -33.401 19.949 1.00 0.00 C ATOM 0 H VAL A 23 0.328 -34.709 19.580 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.095 -32.258 21.169 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.594 -34.911 21.244 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.300 -33.650 22.501 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.731 -33.668 23.340 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.254 -32.210 22.464 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.404 -33.745 20.031 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.359 -32.315 19.861 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.912 -33.843 19.065 1.00 0.00 H new ATOM 382 N ILE A 24 1.033 -33.116 23.242 1.00 0.00 N ATOM 383 CA ILE A 24 1.743 -33.590 24.428 1.00 0.00 C ATOM 384 C ILE A 24 0.946 -33.250 25.685 1.00 0.00 C ATOM 385 O ILE A 24 0.787 -32.077 26.034 1.00 0.00 O ATOM 386 CB ILE A 24 3.165 -32.975 24.531 1.00 0.00 C ATOM 387 CG1 ILE A 24 3.982 -33.282 23.260 1.00 0.00 C ATOM 388 CG2 ILE A 24 3.890 -33.494 25.777 1.00 0.00 C ATOM 389 CD1 ILE A 24 5.373 -32.676 23.261 1.00 0.00 C ATOM 0 H ILE A 24 0.851 -32.112 23.233 1.00 0.00 H new ATOM 0 HA ILE A 24 1.849 -34.671 24.339 1.00 0.00 H new ATOM 0 HB ILE A 24 3.064 -31.893 24.621 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.067 -34.363 23.147 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.436 -32.913 22.391 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.884 -33.051 25.830 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.323 -33.222 26.667 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.979 -34.579 25.721 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.884 -32.937 22.334 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.297 -31.592 23.341 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.938 -33.064 24.109 1.00 0.00 H new ATOM 401 N MET A 25 0.437 -34.281 26.355 1.00 0.00 N ATOM 402 CA MET A 25 -0.359 -34.103 27.571 1.00 0.00 C ATOM 403 C MET A 25 0.309 -34.802 28.750 1.00 0.00 C ATOM 404 O MET A 25 1.284 -35.529 28.574 1.00 0.00 O ATOM 405 CB MET A 25 -1.786 -34.647 27.381 1.00 0.00 C ATOM 406 CG MET A 25 -2.563 -33.968 26.262 1.00 0.00 C ATOM 407 SD MET A 25 -4.336 -34.300 26.337 1.00 0.00 S ATOM 408 CE MET A 25 -4.384 -36.074 26.111 1.00 0.00 C ATOM 0 H MET A 25 0.562 -35.254 26.076 1.00 0.00 H new ATOM 0 HA MET A 25 -0.421 -33.035 27.778 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.732 -35.716 27.175 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.336 -34.530 28.315 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.397 -32.892 26.313 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.176 -34.305 25.301 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.078 -36.320 25.307 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.388 -36.435 25.854 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.715 -36.550 27.034 1.00 0.00 H new ATOM 418 N THR A 26 -0.221 -34.578 29.947 1.00 0.00 N ATOM 419 CA THR A 26 0.298 -35.206 31.161 1.00 0.00 C ATOM 420 C THR A 26 -0.494 -36.471 31.507 1.00 0.00 C ATOM 421 O THR A 26 -0.447 -36.964 32.640 1.00 0.00 O ATOM 422 CB THR A 26 0.244 -34.216 32.346 1.00 0.00 C ATOM 423 OG1 THR A 26 -1.054 -33.608 32.409 1.00 0.00 O ATOM 424 CG2 THR A 26 1.309 -33.133 32.211 1.00 0.00 C ATOM 0 H THR A 26 -1.017 -33.961 30.105 1.00 0.00 H new ATOM 0 HA THR A 26 1.335 -35.486 30.975 1.00 0.00 H new ATOM 0 HB THR A 26 0.438 -34.773 33.263 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.086 -32.982 33.162 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.245 -32.452 33.060 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.296 -33.594 32.189 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.148 -32.577 31.287 1.00 0.00 H new ATOM 432 N THR A 27 -1.201 -37.008 30.518 1.00 0.00 N ATOM 433 CA THR A 27 -2.061 -38.164 30.726 1.00 0.00 C ATOM 434 C THR A 27 -2.118 -39.031 29.471 1.00 0.00 C ATOM 435 O THR A 27 -1.769 -38.579 28.376 1.00 0.00 O ATOM 436 CB THR A 27 -3.499 -37.724 31.093 1.00 0.00 C ATOM 437 OG1 THR A 27 -4.276 -38.866 31.481 1.00 0.00 O ATOM 438 CG2 THR A 27 -4.177 -37.037 29.915 1.00 0.00 C ATOM 0 H THR A 27 -1.194 -36.658 29.560 1.00 0.00 H new ATOM 0 HA THR A 27 -1.637 -38.740 31.548 1.00 0.00 H new ATOM 0 HB THR A 27 -3.434 -37.019 31.922 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.050 -38.572 32.005 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.186 -36.738 30.200 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.604 -36.155 29.629 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.227 -37.726 29.072 1.00 0.00 H new ATOM 446 N LYS A 28 -2.550 -40.277 29.642 1.00 0.00 N ATOM 447 CA LYS A 28 -2.857 -41.152 28.517 1.00 0.00 C ATOM 448 C LYS A 28 -4.327 -41.012 28.142 1.00 0.00 C ATOM 449 O LYS A 28 -4.764 -41.503 27.098 1.00 0.00 O ATOM 450 CB LYS A 28 -2.553 -42.620 28.846 1.00 0.00 C ATOM 451 CG LYS A 28 -1.067 -42.949 28.954 1.00 0.00 C ATOM 452 CD LYS A 28 -0.833 -44.449 29.142 1.00 0.00 C ATOM 453 CE LYS A 28 -1.429 -45.263 27.996 1.00 0.00 C ATOM 454 NZ LYS A 28 -1.242 -46.726 28.184 1.00 0.00 N ATOM 0 H LYS A 28 -2.696 -40.705 30.556 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.227 -40.853 27.679 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.038 -42.876 29.788 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.997 -43.251 28.076 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.553 -42.610 28.055 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.634 -42.405 29.793 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.237 -44.645 29.209 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.275 -44.771 30.085 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.493 -45.043 27.913 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.966 -44.958 27.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.663 -47.236 27.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.226 -46.942 28.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.706 -47.025 29.065 1.00 0.00 H new ATOM 468 N ASP A 29 -5.084 -40.334 29.001 1.00 0.00 N ATOM 469 CA ASP A 29 -6.512 -40.162 28.797 1.00 0.00 C ATOM 470 C ASP A 29 -6.757 -39.089 27.754 1.00 0.00 C ATOM 471 O ASP A 29 -6.893 -37.902 28.074 1.00 0.00 O ATOM 472 CB ASP A 29 -7.222 -39.797 30.109 1.00 0.00 C ATOM 473 CG ASP A 29 -8.711 -39.538 29.908 1.00 0.00 C ATOM 474 OD1 ASP A 29 -9.476 -40.518 29.779 1.00 0.00 O ATOM 475 OD2 ASP A 29 -9.121 -38.354 29.881 1.00 0.00 O ATOM 0 H ASP A 29 -4.726 -39.894 29.849 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.923 -41.108 28.446 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.090 -40.605 30.828 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.756 -38.910 30.537 1.00 0.00 H new ATOM 480 N THR A 30 -6.752 -39.494 26.496 1.00 0.00 N ATOM 481 CA THR A 30 -7.089 -38.587 25.426 1.00 0.00 C ATOM 482 C THR A 30 -8.571 -38.741 25.087 1.00 0.00 C ATOM 483 O THR A 30 -8.980 -39.683 24.407 1.00 0.00 O ATOM 484 CB THR A 30 -6.197 -38.801 24.170 1.00 0.00 C ATOM 485 OG1 THR A 30 -6.651 -37.974 23.092 1.00 0.00 O ATOM 486 CG2 THR A 30 -6.169 -40.260 23.720 1.00 0.00 C ATOM 0 H THR A 30 -6.519 -40.441 26.197 1.00 0.00 H new ATOM 0 HA THR A 30 -6.898 -37.568 25.764 1.00 0.00 H new ATOM 0 HB THR A 30 -5.181 -38.521 24.449 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.583 -38.469 22.249 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.533 -40.357 22.840 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.774 -40.881 24.524 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.180 -40.584 23.474 1.00 0.00 H new ATOM 494 N SER A 31 -9.375 -37.822 25.609 1.00 0.00 N ATOM 495 CA SER A 31 -10.815 -37.835 25.390 1.00 0.00 C ATOM 496 C SER A 31 -11.243 -36.494 24.811 1.00 0.00 C ATOM 497 O SER A 31 -11.710 -36.417 23.672 1.00 0.00 O ATOM 498 CB SER A 31 -11.548 -38.123 26.711 1.00 0.00 C ATOM 499 OG SER A 31 -12.948 -38.237 26.515 1.00 0.00 O ATOM 0 H SER A 31 -9.049 -37.052 26.192 1.00 0.00 H new ATOM 0 HA SER A 31 -11.074 -38.624 24.684 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.164 -39.045 27.147 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.343 -37.324 27.424 1.00 0.00 H new ATOM 0 HG SER A 31 -13.384 -38.422 27.373 1.00 0.00 H new ATOM 505 N THR A 32 -11.034 -35.436 25.595 1.00 0.00 N ATOM 506 CA THR A 32 -11.332 -34.068 25.180 1.00 0.00 C ATOM 507 C THR A 32 -10.741 -33.779 23.796 1.00 0.00 C ATOM 508 O THR A 32 -11.343 -33.079 22.977 1.00 0.00 O ATOM 509 CB THR A 32 -10.749 -33.070 26.206 1.00 0.00 C ATOM 510 OG1 THR A 32 -11.022 -33.537 27.534 1.00 0.00 O ATOM 511 CG2 THR A 32 -11.334 -31.671 26.021 1.00 0.00 C ATOM 0 H THR A 32 -10.652 -35.506 26.538 1.00 0.00 H new ATOM 0 HA THR A 32 -12.415 -33.953 25.130 1.00 0.00 H new ATOM 0 HB THR A 32 -9.673 -33.007 26.046 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.651 -32.906 28.185 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.902 -30.995 26.759 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.103 -31.310 25.019 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.415 -31.708 26.153 1.00 0.00 H new ATOM 519 N LEU A 33 -9.560 -34.348 23.550 1.00 0.00 N ATOM 520 CA LEU A 33 -8.870 -34.201 22.273 1.00 0.00 C ATOM 521 C LEU A 33 -9.746 -34.719 21.133 1.00 0.00 C ATOM 522 O LEU A 33 -9.954 -34.029 20.141 1.00 0.00 O ATOM 523 CB LEU A 33 -7.531 -34.956 22.317 1.00 0.00 C ATOM 524 CG LEU A 33 -6.669 -34.870 21.045 1.00 0.00 C ATOM 525 CD1 LEU A 33 -6.344 -33.418 20.703 1.00 0.00 C ATOM 526 CD2 LEU A 33 -5.387 -35.687 21.209 1.00 0.00 C ATOM 0 H LEU A 33 -9.059 -34.921 24.229 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.671 -33.144 22.094 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.948 -34.573 23.155 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.735 -36.007 22.524 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.241 -35.290 20.218 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.734 -33.385 19.800 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.270 -32.868 20.536 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.796 -32.964 21.528 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.790 -35.614 20.300 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.814 -35.299 22.051 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.642 -36.731 21.393 1.00 0.00 H new ATOM 538 N LYS A 34 -10.282 -35.926 21.300 1.00 0.00 N ATOM 539 CA LYS A 34 -11.138 -36.531 20.283 1.00 0.00 C ATOM 540 C LYS A 34 -12.402 -35.701 20.085 1.00 0.00 C ATOM 541 O LYS A 34 -12.797 -35.415 18.955 1.00 0.00 O ATOM 542 CB LYS A 34 -11.529 -37.961 20.681 1.00 0.00 C ATOM 543 CG LYS A 34 -10.357 -38.935 20.772 1.00 0.00 C ATOM 544 CD LYS A 34 -10.819 -40.321 21.221 1.00 0.00 C ATOM 545 CE LYS A 34 -11.438 -40.277 22.612 1.00 0.00 C ATOM 546 NZ LYS A 34 -11.977 -41.595 23.040 1.00 0.00 N ATOM 0 H LYS A 34 -10.139 -36.503 22.129 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.576 -36.561 19.350 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.036 -37.931 21.646 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.247 -38.343 19.956 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.867 -39.010 19.801 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.616 -38.551 21.474 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.547 -40.712 20.510 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.972 -41.007 21.220 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.687 -39.945 23.329 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.240 -39.539 22.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.386 -41.510 23.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.713 -41.902 22.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.209 -42.296 23.055 1.00 0.00 H new ATOM 560 N GLU A 35 -13.014 -35.305 21.199 1.00 0.00 N ATOM 561 CA GLU A 35 -14.293 -34.600 21.177 1.00 0.00 C ATOM 562 C GLU A 35 -14.241 -33.386 20.250 1.00 0.00 C ATOM 563 O GLU A 35 -15.092 -33.231 19.369 1.00 0.00 O ATOM 564 CB GLU A 35 -14.696 -34.156 22.593 1.00 0.00 C ATOM 565 CG GLU A 35 -14.675 -35.274 23.634 1.00 0.00 C ATOM 566 CD GLU A 35 -15.442 -36.513 23.198 1.00 0.00 C ATOM 567 OE1 GLU A 35 -16.688 -36.461 23.134 1.00 0.00 O ATOM 568 OE2 GLU A 35 -14.804 -37.549 22.917 1.00 0.00 O ATOM 0 H GLU A 35 -12.641 -35.462 22.135 1.00 0.00 H new ATOM 0 HA GLU A 35 -15.042 -35.294 20.796 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.024 -33.362 22.917 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.698 -33.730 22.556 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.641 -35.549 23.842 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.099 -34.901 24.566 1.00 0.00 H new ATOM 575 N LEU A 36 -13.227 -32.541 20.437 1.00 0.00 N ATOM 576 CA LEU A 36 -13.103 -31.311 19.657 1.00 0.00 C ATOM 577 C LEU A 36 -12.845 -31.630 18.186 1.00 0.00 C ATOM 578 O LEU A 36 -13.259 -30.884 17.305 1.00 0.00 O ATOM 579 CB LEU A 36 -11.996 -30.404 20.235 1.00 0.00 C ATOM 580 CG LEU A 36 -10.543 -30.893 20.054 1.00 0.00 C ATOM 581 CD1 LEU A 36 -9.949 -30.401 18.732 1.00 0.00 C ATOM 582 CD2 LEU A 36 -9.673 -30.458 21.230 1.00 0.00 C ATOM 0 H LEU A 36 -12.483 -32.685 21.119 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.045 -30.767 19.722 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.085 -29.420 19.774 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.182 -30.275 21.301 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.563 -31.982 20.026 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.925 -30.763 18.636 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.547 -30.778 17.902 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.952 -29.311 18.715 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.654 -30.814 21.080 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.671 -29.370 21.298 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.072 -30.879 22.153 1.00 0.00 H new ATOM 594 N LEU A 37 -12.169 -32.743 17.929 1.00 0.00 N ATOM 595 CA LEU A 37 -11.874 -33.163 16.560 1.00 0.00 C ATOM 596 C LEU A 37 -13.150 -33.626 15.857 1.00 0.00 C ATOM 597 O LEU A 37 -13.379 -33.317 14.686 1.00 0.00 O ATOM 598 CB LEU A 37 -10.834 -34.295 16.564 1.00 0.00 C ATOM 599 CG LEU A 37 -9.476 -33.940 17.192 1.00 0.00 C ATOM 600 CD1 LEU A 37 -8.604 -35.185 17.323 1.00 0.00 C ATOM 601 CD2 LEU A 37 -8.764 -32.862 16.381 1.00 0.00 C ATOM 0 H LEU A 37 -11.814 -33.373 18.649 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.466 -32.311 16.017 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.252 -35.147 17.100 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.667 -34.616 15.536 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.657 -33.542 18.191 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.647 -34.914 17.769 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.106 -35.916 17.957 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.435 -35.616 16.336 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.806 -32.629 16.847 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.596 -33.222 15.366 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.380 -31.963 16.350 1.00 0.00 H new ATOM 613 N GLU A 38 -13.992 -34.348 16.593 1.00 0.00 N ATOM 614 CA GLU A 38 -15.200 -34.941 16.028 1.00 0.00 C ATOM 615 C GLU A 38 -16.265 -33.884 15.725 1.00 0.00 C ATOM 616 O GLU A 38 -17.174 -34.129 14.930 1.00 0.00 O ATOM 617 CB GLU A 38 -15.760 -36.025 16.962 1.00 0.00 C ATOM 618 CG GLU A 38 -14.761 -37.144 17.252 1.00 0.00 C ATOM 619 CD GLU A 38 -15.393 -38.355 17.919 1.00 0.00 C ATOM 620 OE1 GLU A 38 -15.821 -38.249 19.087 1.00 0.00 O ATOM 621 OE2 GLU A 38 -15.456 -39.430 17.282 1.00 0.00 O ATOM 0 H GLU A 38 -13.858 -34.537 17.586 1.00 0.00 H new ATOM 0 HA GLU A 38 -14.924 -35.406 15.081 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.063 -35.564 17.902 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.656 -36.454 16.514 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.293 -37.455 16.318 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.968 -36.757 17.892 1.00 0.00 H new ATOM 628 N THR A 39 -16.157 -32.709 16.348 1.00 0.00 N ATOM 629 CA THR A 39 -17.108 -31.625 16.092 1.00 0.00 C ATOM 630 C THR A 39 -17.010 -31.155 14.638 1.00 0.00 C ATOM 631 O THR A 39 -17.980 -30.647 14.072 1.00 0.00 O ATOM 632 CB THR A 39 -16.894 -30.420 17.039 1.00 0.00 C ATOM 633 OG1 THR A 39 -15.586 -29.868 16.855 1.00 0.00 O ATOM 634 CG2 THR A 39 -17.079 -30.824 18.499 1.00 0.00 C ATOM 0 H THR A 39 -15.429 -32.485 17.026 1.00 0.00 H new ATOM 0 HA THR A 39 -18.103 -32.028 16.282 1.00 0.00 H new ATOM 0 HB THR A 39 -17.643 -29.667 16.792 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.926 -30.430 17.313 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.922 -29.956 19.139 1.00 0.00 H new ATOM 0 HG22 THR A 39 -18.090 -31.205 18.646 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.358 -31.600 18.756 1.00 0.00 H new ATOM 642 N TYR A 40 -15.833 -31.341 14.036 1.00 0.00 N ATOM 643 CA TYR A 40 -15.619 -31.009 12.626 1.00 0.00 C ATOM 644 C TYR A 40 -16.260 -32.066 11.727 1.00 0.00 C ATOM 645 O TYR A 40 -16.316 -31.907 10.504 1.00 0.00 O ATOM 646 CB TYR A 40 -14.118 -30.893 12.321 1.00 0.00 C ATOM 647 CG TYR A 40 -13.430 -29.774 13.081 1.00 0.00 C ATOM 648 CD1 TYR A 40 -12.903 -29.988 14.351 1.00 0.00 C ATOM 649 CD2 TYR A 40 -13.317 -28.501 12.531 1.00 0.00 C ATOM 650 CE1 TYR A 40 -12.282 -28.971 15.049 1.00 0.00 C ATOM 651 CE2 TYR A 40 -12.699 -27.479 13.223 1.00 0.00 C ATOM 652 CZ TYR A 40 -12.183 -27.718 14.478 1.00 0.00 C ATOM 653 OH TYR A 40 -11.576 -26.694 15.166 1.00 0.00 O ATOM 0 H TYR A 40 -15.011 -31.721 14.505 1.00 0.00 H new ATOM 0 HA TYR A 40 -16.089 -30.046 12.425 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -13.632 -31.838 12.563 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.984 -30.731 11.251 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -12.981 -30.968 14.799 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -13.719 -28.309 11.547 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -11.877 -29.154 16.033 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.620 -26.496 12.783 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.648 -26.602 14.865 1.00 0.00 H new ATOM 663 N GLN A 41 -16.730 -33.149 12.354 1.00 0.00 N ATOM 664 CA GLN A 41 -17.443 -34.224 11.662 1.00 0.00 C ATOM 665 C GLN A 41 -16.540 -34.939 10.656 1.00 0.00 C ATOM 666 O GLN A 41 -17.024 -35.628 9.756 1.00 0.00 O ATOM 667 CB GLN A 41 -18.698 -33.670 10.964 1.00 0.00 C ATOM 668 CG GLN A 41 -19.769 -33.158 11.924 1.00 0.00 C ATOM 669 CD GLN A 41 -20.325 -34.253 12.820 1.00 0.00 C ATOM 670 OE1 GLN A 41 -21.266 -34.950 12.448 1.00 0.00 O ATOM 671 NE2 GLN A 41 -19.752 -34.415 14.001 1.00 0.00 N ATOM 0 H GLN A 41 -16.626 -33.304 13.357 1.00 0.00 H new ATOM 0 HA GLN A 41 -17.750 -34.957 12.409 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -18.403 -32.858 10.299 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -19.129 -34.453 10.339 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -19.348 -32.366 12.543 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -20.583 -32.715 11.351 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -18.973 -33.817 14.276 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -20.090 -35.138 14.637 1.00 0.00 H new ATOM 680 N ARG A 42 -15.232 -34.792 10.826 1.00 0.00 N ATOM 681 CA ARG A 42 -14.263 -35.408 9.922 1.00 0.00 C ATOM 682 C ARG A 42 -13.465 -36.490 10.652 1.00 0.00 C ATOM 683 O ARG A 42 -13.320 -36.437 11.876 1.00 0.00 O ATOM 684 CB ARG A 42 -13.312 -34.346 9.349 1.00 0.00 C ATOM 685 CG ARG A 42 -12.378 -33.718 10.382 1.00 0.00 C ATOM 686 CD ARG A 42 -11.347 -32.790 9.735 1.00 0.00 C ATOM 687 NE ARG A 42 -11.926 -31.524 9.267 1.00 0.00 N ATOM 688 CZ ARG A 42 -12.475 -31.328 8.061 1.00 0.00 C ATOM 689 NH1 ARG A 42 -12.551 -32.315 7.174 1.00 0.00 N ATOM 690 NH2 ARG A 42 -12.926 -30.126 7.739 1.00 0.00 N ATOM 0 H ARG A 42 -14.815 -34.250 11.583 1.00 0.00 H new ATOM 0 HA ARG A 42 -14.807 -35.870 9.098 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.711 -34.800 8.561 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.904 -33.557 8.884 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.966 -33.156 11.108 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.862 -34.506 10.931 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.556 -32.577 10.454 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.882 -33.303 8.893 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.909 -30.733 9.910 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.188 -33.239 7.407 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.972 -32.148 6.260 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.854 -29.358 8.407 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.346 -29.967 6.823 1.00 0.00 H new ATOM 704 N PRO A 43 -12.945 -37.493 9.914 1.00 0.00 N ATOM 705 CA PRO A 43 -12.127 -38.558 10.498 1.00 0.00 C ATOM 706 C PRO A 43 -10.722 -38.063 10.840 1.00 0.00 C ATOM 707 O PRO A 43 -10.242 -37.081 10.264 1.00 0.00 O ATOM 708 CB PRO A 43 -12.083 -39.616 9.388 1.00 0.00 C ATOM 709 CG PRO A 43 -12.214 -38.833 8.124 1.00 0.00 C ATOM 710 CD PRO A 43 -13.116 -37.668 8.453 1.00 0.00 C ATOM 0 HA PRO A 43 -12.534 -38.935 11.436 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.150 -40.179 9.412 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.893 -40.338 9.494 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -11.241 -38.488 7.775 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.639 -39.444 7.328 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.827 -36.771 7.906 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -14.153 -37.879 8.194 1.00 0.00 H new ATOM 718 N PHE A 44 -10.066 -38.742 11.774 1.00 0.00 N ATOM 719 CA PHE A 44 -8.724 -38.360 12.195 1.00 0.00 C ATOM 720 C PHE A 44 -7.916 -39.588 12.599 1.00 0.00 C ATOM 721 O PHE A 44 -8.476 -40.617 12.983 1.00 0.00 O ATOM 722 CB PHE A 44 -8.786 -37.354 13.356 1.00 0.00 C ATOM 723 CG PHE A 44 -9.493 -37.870 14.587 1.00 0.00 C ATOM 724 CD1 PHE A 44 -10.872 -37.757 14.714 1.00 0.00 C ATOM 725 CD2 PHE A 44 -8.778 -38.470 15.614 1.00 0.00 C ATOM 726 CE1 PHE A 44 -11.518 -38.231 15.839 1.00 0.00 C ATOM 727 CE2 PHE A 44 -9.422 -38.945 16.740 1.00 0.00 C ATOM 728 CZ PHE A 44 -10.793 -38.826 16.853 1.00 0.00 C ATOM 0 H PHE A 44 -10.442 -39.560 12.254 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.226 -37.883 11.351 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.770 -37.067 13.628 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.291 -36.451 13.013 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -11.445 -37.294 13.924 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.705 -38.567 15.532 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -12.590 -38.136 15.926 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.853 -39.409 17.532 1.00 0.00 H new ATOM 0 HZ PHE A 44 -11.298 -39.197 17.733 1.00 0.00 H new ATOM 738 N LYS A 45 -6.601 -39.465 12.499 1.00 0.00 N ATOM 739 CA LYS A 45 -5.679 -40.527 12.882 1.00 0.00 C ATOM 740 C LYS A 45 -5.136 -40.256 14.281 1.00 0.00 C ATOM 741 O LYS A 45 -4.334 -39.343 14.473 1.00 0.00 O ATOM 742 CB LYS A 45 -4.523 -40.603 11.868 1.00 0.00 C ATOM 743 CG LYS A 45 -3.404 -41.592 12.220 1.00 0.00 C ATOM 744 CD LYS A 45 -3.778 -43.054 11.953 1.00 0.00 C ATOM 745 CE LYS A 45 -4.633 -43.656 13.061 1.00 0.00 C ATOM 746 NZ LYS A 45 -4.940 -45.089 12.809 1.00 0.00 N ATOM 0 H LYS A 45 -6.141 -38.625 12.149 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.207 -41.481 12.886 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.933 -40.875 10.895 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.087 -39.609 11.764 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.513 -41.341 11.644 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.146 -41.477 13.273 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.317 -43.120 11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.867 -43.643 11.842 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.113 -43.558 14.014 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.564 -43.095 13.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.523 -45.461 13.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.459 -45.180 11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.053 -45.629 12.753 1.00 0.00 H new ATOM 760 N LEU A 46 -5.600 -41.033 15.251 1.00 0.00 N ATOM 761 CA LEU A 46 -5.149 -40.906 16.635 1.00 0.00 C ATOM 762 C LEU A 46 -4.148 -42.014 16.957 1.00 0.00 C ATOM 763 O LEU A 46 -4.473 -43.200 16.853 1.00 0.00 O ATOM 764 CB LEU A 46 -6.349 -40.986 17.593 1.00 0.00 C ATOM 765 CG LEU A 46 -6.020 -40.799 19.089 1.00 0.00 C ATOM 766 CD1 LEU A 46 -5.527 -39.382 19.371 1.00 0.00 C ATOM 767 CD2 LEU A 46 -7.234 -41.132 19.955 1.00 0.00 C ATOM 0 H LEU A 46 -6.295 -41.765 15.105 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.663 -39.938 16.762 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.075 -40.227 17.301 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.831 -41.955 17.463 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.217 -41.490 19.345 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.303 -39.279 20.433 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.626 -39.188 18.789 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.300 -38.666 19.092 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.980 -40.994 21.006 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.061 -40.473 19.691 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.528 -42.168 19.786 1.00 0.00 H new ATOM 779 N GLU A 47 -2.928 -41.627 17.321 1.00 0.00 N ATOM 780 CA GLU A 47 -1.889 -42.587 17.689 1.00 0.00 C ATOM 781 C GLU A 47 -1.092 -42.105 18.899 1.00 0.00 C ATOM 782 O GLU A 47 -0.810 -40.913 19.036 1.00 0.00 O ATOM 783 CB GLU A 47 -0.915 -42.823 16.523 1.00 0.00 C ATOM 784 CG GLU A 47 -1.474 -43.659 15.377 1.00 0.00 C ATOM 785 CD GLU A 47 -0.415 -43.982 14.333 1.00 0.00 C ATOM 786 OE1 GLU A 47 0.673 -44.467 14.717 1.00 0.00 O ATOM 787 OE2 GLU A 47 -0.656 -43.743 13.130 1.00 0.00 O ATOM 0 H GLU A 47 -2.633 -40.652 17.369 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.395 -43.520 17.937 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.602 -41.856 16.129 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.022 -43.314 16.909 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.886 -44.587 15.774 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.296 -43.121 14.904 1.00 0.00 H new ATOM 794 N PHE A 48 -0.735 -43.042 19.766 1.00 0.00 N ATOM 795 CA PHE A 48 0.199 -42.781 20.850 1.00 0.00 C ATOM 796 C PHE A 48 1.619 -43.019 20.344 1.00 0.00 C ATOM 797 O PHE A 48 1.939 -44.112 19.871 1.00 0.00 O ATOM 798 CB PHE A 48 -0.106 -43.690 22.052 1.00 0.00 C ATOM 799 CG PHE A 48 0.895 -43.580 23.178 1.00 0.00 C ATOM 800 CD1 PHE A 48 0.949 -42.443 23.972 1.00 0.00 C ATOM 801 CD2 PHE A 48 1.786 -44.615 23.439 1.00 0.00 C ATOM 802 CE1 PHE A 48 1.865 -42.341 25.001 1.00 0.00 C ATOM 803 CE2 PHE A 48 2.704 -44.517 24.467 1.00 0.00 C ATOM 804 CZ PHE A 48 2.743 -43.378 25.250 1.00 0.00 C ATOM 0 H PHE A 48 -1.083 -44.000 19.738 1.00 0.00 H new ATOM 0 HA PHE A 48 0.099 -41.747 21.179 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.097 -43.447 22.436 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.142 -44.725 21.712 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.266 -41.628 23.783 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.760 -45.507 22.830 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.895 -41.450 25.611 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.390 -45.329 24.659 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.459 -43.299 26.055 1.00 0.00 H new ATOM 814 N LYS A 49 2.454 -41.990 20.411 1.00 0.00 N ATOM 815 CA LYS A 49 3.819 -42.080 19.904 1.00 0.00 C ATOM 816 C LYS A 49 4.751 -42.660 20.962 1.00 0.00 C ATOM 817 O LYS A 49 5.314 -43.739 20.776 1.00 0.00 O ATOM 818 CB LYS A 49 4.316 -40.699 19.449 1.00 0.00 C ATOM 819 CG LYS A 49 3.489 -40.051 18.331 1.00 0.00 C ATOM 820 CD LYS A 49 3.579 -40.808 16.996 1.00 0.00 C ATOM 821 CE LYS A 49 2.549 -41.933 16.875 1.00 0.00 C ATOM 822 NZ LYS A 49 2.645 -42.638 15.568 1.00 0.00 N ATOM 0 H LYS A 49 2.211 -41.084 20.811 1.00 0.00 H new ATOM 0 HA LYS A 49 3.820 -42.749 19.044 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.324 -40.030 20.310 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.347 -40.794 19.110 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.446 -39.999 18.643 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.829 -39.026 18.184 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.438 -40.104 16.176 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.580 -41.226 16.889 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.696 -42.648 17.684 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.547 -41.521 16.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.830 -43.274 15.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.649 -41.940 14.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.524 -43.193 15.537 1.00 0.00 H new ATOM 836 N ASN A 50 4.900 -41.946 22.072 1.00 0.00 N ATOM 837 CA ASN A 50 5.806 -42.366 23.138 1.00 0.00 C ATOM 838 C ASN A 50 5.631 -41.477 24.364 1.00 0.00 C ATOM 839 O ASN A 50 5.102 -40.368 24.267 1.00 0.00 O ATOM 840 CB ASN A 50 7.269 -42.304 22.657 1.00 0.00 C ATOM 841 CG ASN A 50 8.261 -42.826 23.688 1.00 0.00 C ATOM 842 OD1 ASN A 50 7.943 -43.712 24.484 1.00 0.00 O ATOM 843 ND2 ASN A 50 9.468 -42.279 23.684 1.00 0.00 N ATOM 0 H ASN A 50 4.406 -41.073 22.258 1.00 0.00 H new ATOM 0 HA ASN A 50 5.564 -43.394 23.406 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.368 -42.885 21.740 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.520 -41.273 22.410 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.171 -42.589 24.355 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.694 -41.548 23.010 1.00 0.00 H new ATOM 850 N THR A 51 6.053 -41.980 25.514 1.00 0.00 N ATOM 851 CA THR A 51 6.101 -41.191 26.732 1.00 0.00 C ATOM 852 C THR A 51 7.440 -40.455 26.794 1.00 0.00 C ATOM 853 O THR A 51 8.448 -40.950 26.280 1.00 0.00 O ATOM 854 CB THR A 51 5.904 -42.072 27.994 1.00 0.00 C ATOM 855 OG1 THR A 51 5.867 -41.258 29.175 1.00 0.00 O ATOM 856 CG2 THR A 51 7.009 -43.112 28.130 1.00 0.00 C ATOM 0 H THR A 51 6.370 -42.943 25.628 1.00 0.00 H new ATOM 0 HA THR A 51 5.283 -40.471 26.715 1.00 0.00 H new ATOM 0 HB THR A 51 4.953 -42.593 27.880 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.585 -40.350 28.938 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.838 -43.710 29.025 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.008 -43.761 27.254 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.973 -42.610 28.208 1.00 0.00 H new ATOM 864 N SER A 52 7.435 -39.263 27.378 1.00 0.00 N ATOM 865 CA SER A 52 8.631 -38.431 27.470 1.00 0.00 C ATOM 866 C SER A 52 9.760 -39.161 28.206 1.00 0.00 C ATOM 867 O SER A 52 9.603 -40.305 28.640 1.00 0.00 O ATOM 868 CB SER A 52 8.288 -37.123 28.194 1.00 0.00 C ATOM 869 OG SER A 52 9.376 -36.211 28.172 1.00 0.00 O ATOM 0 H SER A 52 6.605 -38.846 27.800 1.00 0.00 H new ATOM 0 HA SER A 52 8.979 -38.211 26.461 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.418 -36.664 27.724 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.015 -37.339 29.227 1.00 0.00 H new ATOM 0 HG SER A 52 9.123 -35.388 28.640 1.00 0.00 H new ATOM 875 N LYS A 53 10.898 -38.484 28.352 1.00 0.00 N ATOM 876 CA LYS A 53 12.031 -39.037 29.089 1.00 0.00 C ATOM 877 C LYS A 53 11.624 -39.266 30.545 1.00 0.00 C ATOM 878 O LYS A 53 12.260 -40.026 31.282 1.00 0.00 O ATOM 879 CB LYS A 53 13.243 -38.098 28.994 1.00 0.00 C ATOM 880 CG LYS A 53 13.538 -37.639 27.564 1.00 0.00 C ATOM 881 CD LYS A 53 14.922 -37.005 27.427 1.00 0.00 C ATOM 882 CE LYS A 53 16.034 -38.038 27.581 1.00 0.00 C ATOM 883 NZ LYS A 53 15.914 -39.142 26.589 1.00 0.00 N ATOM 0 H LYS A 53 11.059 -37.552 27.970 1.00 0.00 H new ATOM 0 HA LYS A 53 12.319 -39.992 28.650 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.067 -37.224 29.621 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.120 -38.606 29.394 1.00 0.00 H new ATOM 0 HG2 LYS A 53 13.464 -38.492 26.889 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.780 -36.920 27.253 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.006 -36.522 26.453 1.00 0.00 H new ATOM 0 HD3 LYS A 53 15.042 -36.226 28.180 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.001 -37.549 27.464 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.006 -38.452 28.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.827 -39.633 26.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.186 -39.815 26.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 15.645 -38.750 25.664 1.00 0.00 H new ATOM 897 N ASN A 54 10.555 -38.586 30.937 1.00 0.00 N ATOM 898 CA ASN A 54 9.880 -38.823 32.206 1.00 0.00 C ATOM 899 C ASN A 54 8.411 -39.119 31.913 1.00 0.00 C ATOM 900 O ASN A 54 7.797 -38.452 31.076 1.00 0.00 O ATOM 901 CB ASN A 54 10.011 -37.594 33.125 1.00 0.00 C ATOM 902 CG ASN A 54 9.409 -37.800 34.514 1.00 0.00 C ATOM 903 OD1 ASN A 54 8.457 -38.562 34.698 1.00 0.00 O ATOM 904 ND2 ASN A 54 9.954 -37.105 35.500 1.00 0.00 N ATOM 0 H ASN A 54 10.128 -37.847 30.378 1.00 0.00 H new ATOM 0 HA ASN A 54 10.336 -39.669 32.720 1.00 0.00 H new ATOM 0 HB2 ASN A 54 11.066 -37.340 33.230 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.524 -36.742 32.650 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.587 -37.191 36.448 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.741 -36.484 35.312 1.00 0.00 H new ATOM 911 N ALA A 55 7.851 -40.104 32.609 1.00 0.00 N ATOM 912 CA ALA A 55 6.465 -40.535 32.393 1.00 0.00 C ATOM 913 C ALA A 55 5.468 -39.402 32.660 1.00 0.00 C ATOM 914 O ALA A 55 4.271 -39.550 32.418 1.00 0.00 O ATOM 915 CB ALA A 55 6.145 -41.740 33.272 1.00 0.00 C ATOM 0 H ALA A 55 8.339 -40.627 33.336 1.00 0.00 H new ATOM 0 HA ALA A 55 6.367 -40.819 31.345 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.114 -42.050 33.103 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.817 -42.561 33.022 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.275 -41.471 34.320 1.00 0.00 H new ATOM 921 N LYS A 56 5.975 -38.281 33.172 1.00 0.00 N ATOM 922 CA LYS A 56 5.161 -37.098 33.440 1.00 0.00 C ATOM 923 C LYS A 56 4.397 -36.654 32.187 1.00 0.00 C ATOM 924 O LYS A 56 3.275 -36.151 32.283 1.00 0.00 O ATOM 925 CB LYS A 56 6.057 -35.957 33.948 1.00 0.00 C ATOM 926 CG LYS A 56 5.297 -34.688 34.339 1.00 0.00 C ATOM 927 CD LYS A 56 6.235 -33.591 34.845 1.00 0.00 C ATOM 928 CE LYS A 56 6.995 -34.015 36.099 1.00 0.00 C ATOM 929 NZ LYS A 56 6.081 -34.311 37.235 1.00 0.00 N ATOM 0 H LYS A 56 6.960 -38.168 33.412 1.00 0.00 H new ATOM 0 HA LYS A 56 4.428 -37.352 34.206 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.621 -36.310 34.812 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.783 -35.708 33.174 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.740 -34.320 33.478 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.567 -34.926 35.113 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.947 -33.334 34.061 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.657 -32.692 35.059 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.595 -34.898 35.878 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.687 -33.224 36.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.638 -34.445 38.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.422 -33.517 37.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.543 -35.177 37.031 1.00 0.00 H new ATOM 943 N PHE A 57 5.000 -36.860 31.015 1.00 0.00 N ATOM 944 CA PHE A 57 4.400 -36.421 29.753 1.00 0.00 C ATOM 945 C PHE A 57 4.209 -37.595 28.791 1.00 0.00 C ATOM 946 O PHE A 57 5.047 -38.499 28.716 1.00 0.00 O ATOM 947 CB PHE A 57 5.273 -35.347 29.085 1.00 0.00 C ATOM 948 CG PHE A 57 5.572 -34.156 29.966 1.00 0.00 C ATOM 949 CD1 PHE A 57 4.574 -33.249 30.295 1.00 0.00 C ATOM 950 CD2 PHE A 57 6.853 -33.946 30.464 1.00 0.00 C ATOM 951 CE1 PHE A 57 4.845 -32.159 31.101 1.00 0.00 C ATOM 952 CE2 PHE A 57 7.127 -32.856 31.269 1.00 0.00 C ATOM 953 CZ PHE A 57 6.123 -31.961 31.587 1.00 0.00 C ATOM 0 H PHE A 57 5.901 -37.327 30.913 1.00 0.00 H new ATOM 0 HA PHE A 57 3.422 -35.999 29.985 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.214 -35.801 28.775 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.774 -35.000 28.181 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.573 -33.397 29.917 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.642 -34.642 30.219 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.058 -31.463 31.351 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.126 -32.704 31.650 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.337 -31.108 32.214 1.00 0.00 H new ATOM 963 N TYR A 58 3.097 -37.569 28.065 1.00 0.00 N ATOM 964 CA TYR A 58 2.799 -38.554 27.028 1.00 0.00 C ATOM 965 C TYR A 58 2.557 -37.835 25.704 1.00 0.00 C ATOM 966 O TYR A 58 1.871 -36.811 25.664 1.00 0.00 O ATOM 967 CB TYR A 58 1.564 -39.381 27.411 1.00 0.00 C ATOM 968 CG TYR A 58 1.736 -40.174 28.694 1.00 0.00 C ATOM 969 CD1 TYR A 58 2.258 -41.464 28.673 1.00 0.00 C ATOM 970 CD2 TYR A 58 1.378 -39.633 29.926 1.00 0.00 C ATOM 971 CE1 TYR A 58 2.418 -42.189 29.839 1.00 0.00 C ATOM 972 CE2 TYR A 58 1.535 -40.352 31.095 1.00 0.00 C ATOM 973 CZ TYR A 58 2.055 -41.630 31.047 1.00 0.00 C ATOM 974 OH TYR A 58 2.211 -42.353 32.211 1.00 0.00 O ATOM 0 H TYR A 58 2.372 -36.861 28.179 1.00 0.00 H new ATOM 0 HA TYR A 58 3.647 -39.231 26.926 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.709 -38.713 27.519 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.331 -40.068 26.598 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.543 -41.906 27.730 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.970 -38.634 29.968 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.825 -43.189 29.805 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.252 -39.916 32.042 1.00 0.00 H new ATOM 0 HH TYR A 58 1.909 -41.816 32.973 1.00 0.00 H new ATOM 984 N SER A 59 3.129 -38.362 24.627 1.00 0.00 N ATOM 985 CA SER A 59 3.040 -37.728 23.316 1.00 0.00 C ATOM 986 C SER A 59 2.086 -38.491 22.393 1.00 0.00 C ATOM 987 O SER A 59 2.324 -39.654 22.053 1.00 0.00 O ATOM 988 CB SER A 59 4.437 -37.645 22.690 1.00 0.00 C ATOM 989 OG SER A 59 5.345 -37.010 23.576 1.00 0.00 O ATOM 0 H SER A 59 3.662 -39.232 24.636 1.00 0.00 H new ATOM 0 HA SER A 59 2.640 -36.722 23.445 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.794 -38.647 22.451 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.389 -37.092 21.752 1.00 0.00 H new ATOM 0 HG SER A 59 6.232 -36.967 23.161 1.00 0.00 H new ATOM 995 N PHE A 60 1.001 -37.827 22.008 1.00 0.00 N ATOM 996 CA PHE A 60 0.050 -38.360 21.039 1.00 0.00 C ATOM 997 C PHE A 60 0.224 -37.649 19.704 1.00 0.00 C ATOM 998 O PHE A 60 0.868 -36.600 19.623 1.00 0.00 O ATOM 999 CB PHE A 60 -1.394 -38.169 21.525 1.00 0.00 C ATOM 1000 CG PHE A 60 -1.736 -38.946 22.771 1.00 0.00 C ATOM 1001 CD1 PHE A 60 -1.997 -40.307 22.702 1.00 0.00 C ATOM 1002 CD2 PHE A 60 -1.802 -38.315 24.005 1.00 0.00 C ATOM 1003 CE1 PHE A 60 -2.317 -41.022 23.840 1.00 0.00 C ATOM 1004 CE2 PHE A 60 -2.123 -39.028 25.144 1.00 0.00 C ATOM 1005 CZ PHE A 60 -2.380 -40.383 25.060 1.00 0.00 C ATOM 0 H PHE A 60 0.756 -36.902 22.360 1.00 0.00 H new ATOM 0 HA PHE A 60 0.244 -39.426 20.923 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.565 -37.109 21.713 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.076 -38.465 20.728 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.950 -40.813 21.749 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.601 -37.256 24.076 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.518 -42.081 23.774 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -2.173 -38.527 26.099 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.630 -40.941 25.950 1.00 0.00 H new ATOM 1015 N ASN A 61 -0.359 -38.223 18.663 1.00 0.00 N ATOM 1016 CA ASN A 61 -0.325 -37.631 17.334 1.00 0.00 C ATOM 1017 C ASN A 61 -1.699 -37.721 16.689 1.00 0.00 C ATOM 1018 O ASN A 61 -2.315 -38.791 16.670 1.00 0.00 O ATOM 1019 CB ASN A 61 0.709 -38.333 16.447 1.00 0.00 C ATOM 1020 CG ASN A 61 0.720 -37.776 15.033 1.00 0.00 C ATOM 1021 OD1 ASN A 61 1.422 -36.806 14.747 1.00 0.00 O ATOM 1022 ND2 ASN A 61 -0.052 -38.384 14.141 1.00 0.00 N ATOM 0 H ASN A 61 -0.866 -39.107 18.714 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.039 -36.584 17.436 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.700 -38.222 16.888 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.493 -39.401 16.414 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.078 -38.050 13.178 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.619 -39.185 14.419 1.00 0.00 H new ATOM 1029 N VAL A 62 -2.174 -36.593 16.179 1.00 0.00 N ATOM 1030 CA VAL A 62 -3.434 -36.534 15.455 1.00 0.00 C ATOM 1031 C VAL A 62 -3.188 -36.061 14.029 1.00 0.00 C ATOM 1032 O VAL A 62 -2.694 -34.954 13.813 1.00 0.00 O ATOM 1033 CB VAL A 62 -4.443 -35.578 16.139 1.00 0.00 C ATOM 1034 CG1 VAL A 62 -5.733 -35.476 15.327 1.00 0.00 C ATOM 1035 CG2 VAL A 62 -4.735 -36.031 17.568 1.00 0.00 C ATOM 0 H VAL A 62 -1.697 -35.695 16.256 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.860 -37.537 15.452 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.993 -34.586 16.183 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.425 -34.799 15.828 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.507 -35.093 14.332 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.188 -36.463 15.242 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.446 -35.345 18.029 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.158 -37.035 17.552 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.810 -36.036 18.144 1.00 0.00 H new ATOM 1045 N SER A 63 -3.524 -36.903 13.065 1.00 0.00 N ATOM 1046 CA SER A 63 -3.411 -36.551 11.658 1.00 0.00 C ATOM 1047 C SER A 63 -4.793 -36.592 11.010 1.00 0.00 C ATOM 1048 O SER A 63 -5.358 -37.667 10.809 1.00 0.00 O ATOM 1049 CB SER A 63 -2.452 -37.518 10.949 1.00 0.00 C ATOM 1050 OG SER A 63 -1.204 -37.590 11.625 1.00 0.00 O ATOM 0 H SER A 63 -3.880 -37.844 13.233 1.00 0.00 H new ATOM 0 HA SER A 63 -3.009 -35.542 11.567 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.901 -38.510 10.901 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.294 -37.190 9.922 1.00 0.00 H new ATOM 0 HG SER A 63 -0.540 -37.054 11.143 1.00 0.00 H new ATOM 1056 N MET A 64 -5.348 -35.423 10.715 1.00 0.00 N ATOM 1057 CA MET A 64 -6.678 -35.337 10.113 1.00 0.00 C ATOM 1058 C MET A 64 -6.643 -34.490 8.855 1.00 0.00 C ATOM 1059 O MET A 64 -5.739 -33.675 8.668 1.00 0.00 O ATOM 1060 CB MET A 64 -7.706 -34.748 11.091 1.00 0.00 C ATOM 1061 CG MET A 64 -7.374 -33.345 11.591 1.00 0.00 C ATOM 1062 SD MET A 64 -8.842 -32.430 12.110 1.00 0.00 S ATOM 1063 CE MET A 64 -9.729 -33.676 13.041 1.00 0.00 C ATOM 0 H MET A 64 -4.901 -34.521 10.881 1.00 0.00 H new ATOM 0 HA MET A 64 -6.981 -36.353 9.861 1.00 0.00 H new ATOM 0 HB2 MET A 64 -8.680 -34.725 10.603 1.00 0.00 H new ATOM 0 HB3 MET A 64 -7.795 -35.414 11.949 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.679 -33.416 12.428 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.866 -32.792 10.801 1.00 0.00 H new ATOM 0 HE1 MET A 64 -10.483 -33.196 13.665 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.214 -34.368 12.353 1.00 0.00 H new ATOM 0 HE3 MET A 64 -9.030 -34.224 13.673 1.00 0.00 H new ATOM 1073 N GLU A 65 -7.636 -34.689 8.002 1.00 0.00 N ATOM 1074 CA GLU A 65 -7.756 -33.920 6.773 1.00 0.00 C ATOM 1075 C GLU A 65 -8.353 -32.554 7.074 1.00 0.00 C ATOM 1076 O GLU A 65 -9.537 -32.445 7.382 1.00 0.00 O ATOM 1077 CB GLU A 65 -8.632 -34.652 5.759 1.00 0.00 C ATOM 1078 CG GLU A 65 -8.192 -36.081 5.478 1.00 0.00 C ATOM 1079 CD GLU A 65 -9.163 -36.823 4.578 1.00 0.00 C ATOM 1080 OE1 GLU A 65 -10.164 -37.364 5.096 1.00 0.00 O ATOM 1081 OE2 GLU A 65 -8.942 -36.857 3.349 1.00 0.00 O ATOM 0 H GLU A 65 -8.374 -35.380 8.139 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.761 -33.796 6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.659 -34.664 6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.632 -34.092 4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.207 -36.069 5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.092 -36.619 6.421 1.00 0.00 H new ATOM 1088 N VAL A 66 -7.532 -31.525 6.979 1.00 0.00 N ATOM 1089 CA VAL A 66 -7.969 -30.167 7.283 1.00 0.00 C ATOM 1090 C VAL A 66 -8.541 -29.508 6.033 1.00 0.00 C ATOM 1091 O VAL A 66 -7.924 -29.546 4.965 1.00 0.00 O ATOM 1092 CB VAL A 66 -6.814 -29.310 7.866 1.00 0.00 C ATOM 1093 CG1 VAL A 66 -6.402 -29.841 9.237 1.00 0.00 C ATOM 1094 CG2 VAL A 66 -5.614 -29.286 6.918 1.00 0.00 C ATOM 0 H VAL A 66 -6.556 -31.600 6.693 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.748 -30.229 8.043 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.173 -28.287 7.979 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.591 -29.231 9.635 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.254 -29.798 9.915 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.066 -30.874 9.141 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.820 -28.678 7.352 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.251 -30.302 6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.915 -28.860 5.961 1.00 0.00 H new ATOM 1104 N SER A 67 -9.731 -28.930 6.170 1.00 0.00 N ATOM 1105 CA SER A 67 -10.449 -28.342 5.047 1.00 0.00 C ATOM 1106 C SER A 67 -9.649 -27.204 4.414 1.00 0.00 C ATOM 1107 O SER A 67 -9.497 -27.152 3.190 1.00 0.00 O ATOM 1108 CB SER A 67 -11.826 -27.838 5.502 1.00 0.00 C ATOM 1109 OG SER A 67 -12.606 -27.388 4.403 1.00 0.00 O ATOM 0 H SER A 67 -10.222 -28.857 7.061 1.00 0.00 H new ATOM 0 HA SER A 67 -10.587 -29.116 4.292 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.354 -28.638 6.021 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.699 -27.025 6.216 1.00 0.00 H new ATOM 0 HG SER A 67 -13.477 -27.075 4.726 1.00 0.00 H new ATOM 1115 N ASN A 68 -9.129 -26.301 5.243 1.00 0.00 N ATOM 1116 CA ASN A 68 -8.380 -25.153 4.739 1.00 0.00 C ATOM 1117 C ASN A 68 -7.412 -24.610 5.793 1.00 0.00 C ATOM 1118 O ASN A 68 -7.316 -25.144 6.902 1.00 0.00 O ATOM 1119 CB ASN A 68 -9.339 -24.054 4.246 1.00 0.00 C ATOM 1120 CG ASN A 68 -10.282 -23.535 5.320 1.00 0.00 C ATOM 1121 OD1 ASN A 68 -9.932 -23.465 6.496 1.00 0.00 O ATOM 1122 ND2 ASN A 68 -11.490 -23.172 4.921 1.00 0.00 N ATOM 0 H ASN A 68 -9.212 -26.341 6.259 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.782 -25.489 3.892 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.753 -23.221 3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -9.928 -24.444 3.416 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.166 -22.820 5.598 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.745 -23.244 3.936 1.00 0.00 H new ATOM 1129 N GLU A 69 -6.707 -23.540 5.430 1.00 0.00 N ATOM 1130 CA GLU A 69 -5.633 -22.976 6.249 1.00 0.00 C ATOM 1131 C GLU A 69 -6.201 -22.348 7.525 1.00 0.00 C ATOM 1132 O GLU A 69 -5.570 -22.378 8.583 1.00 0.00 O ATOM 1133 CB GLU A 69 -4.856 -21.943 5.404 1.00 0.00 C ATOM 1134 CG GLU A 69 -3.469 -21.563 5.934 1.00 0.00 C ATOM 1135 CD GLU A 69 -3.483 -20.455 6.979 1.00 0.00 C ATOM 1136 OE1 GLU A 69 -4.178 -19.436 6.773 1.00 0.00 O ATOM 1137 OE2 GLU A 69 -2.761 -20.573 7.991 1.00 0.00 O ATOM 0 H GLU A 69 -6.864 -23.037 4.557 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.949 -23.765 6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.744 -22.337 4.394 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.457 -21.037 5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.002 -22.448 6.365 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.845 -21.250 5.097 1.00 0.00 H new ATOM 1144 N SER A 70 -7.419 -21.826 7.423 1.00 0.00 N ATOM 1145 CA SER A 70 -8.073 -21.164 8.544 1.00 0.00 C ATOM 1146 C SER A 70 -8.475 -22.197 9.590 1.00 0.00 C ATOM 1147 O SER A 70 -8.222 -22.029 10.787 1.00 0.00 O ATOM 1148 CB SER A 70 -9.304 -20.394 8.047 1.00 0.00 C ATOM 1149 OG SER A 70 -9.937 -19.681 9.098 1.00 0.00 O ATOM 0 H SER A 70 -7.976 -21.850 6.569 1.00 0.00 H new ATOM 0 HA SER A 70 -7.381 -20.457 9.001 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.006 -19.698 7.263 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.014 -21.091 7.601 1.00 0.00 H new ATOM 0 HG SER A 70 -10.715 -19.201 8.745 1.00 0.00 H new ATOM 1155 N GLU A 71 -9.083 -23.280 9.117 1.00 0.00 N ATOM 1156 CA GLU A 71 -9.525 -24.365 9.979 1.00 0.00 C ATOM 1157 C GLU A 71 -8.326 -24.984 10.691 1.00 0.00 C ATOM 1158 O GLU A 71 -8.384 -25.279 11.883 1.00 0.00 O ATOM 1159 CB GLU A 71 -10.265 -25.431 9.157 1.00 0.00 C ATOM 1160 CG GLU A 71 -10.873 -26.535 10.010 1.00 0.00 C ATOM 1161 CD GLU A 71 -11.538 -27.624 9.189 1.00 0.00 C ATOM 1162 OE1 GLU A 71 -10.849 -28.591 8.812 1.00 0.00 O ATOM 1163 OE2 GLU A 71 -12.756 -27.524 8.916 1.00 0.00 O ATOM 0 H GLU A 71 -9.282 -23.428 8.128 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.212 -23.966 10.725 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.055 -24.951 8.580 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.572 -25.874 8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.093 -26.980 10.628 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.607 -26.100 10.688 1.00 0.00 H new ATOM 1170 N ARG A 72 -7.235 -25.153 9.946 1.00 0.00 N ATOM 1171 CA ARG A 72 -5.989 -25.684 10.496 1.00 0.00 C ATOM 1172 C ARG A 72 -5.547 -24.858 11.706 1.00 0.00 C ATOM 1173 O ARG A 72 -5.189 -25.408 12.753 1.00 0.00 O ATOM 1174 CB ARG A 72 -4.903 -25.704 9.396 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.486 -26.042 9.880 1.00 0.00 C ATOM 1176 CD ARG A 72 -2.717 -24.796 10.318 1.00 0.00 C ATOM 1177 NE ARG A 72 -1.385 -25.115 10.835 1.00 0.00 N ATOM 1178 CZ ARG A 72 -0.530 -24.201 11.300 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -0.856 -22.913 11.314 1.00 0.00 N ATOM 1180 NH2 ARG A 72 0.655 -24.574 11.756 1.00 0.00 N ATOM 0 H ARG A 72 -7.189 -24.928 8.952 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.149 -26.707 10.837 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.192 -26.430 8.636 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.881 -24.727 8.912 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.545 -26.743 10.713 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.940 -26.543 9.080 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.622 -24.115 9.472 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.286 -24.273 11.086 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.093 -26.092 10.840 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.767 -22.614 10.967 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.195 -22.223 11.672 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.916 -25.560 11.752 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.308 -23.875 12.111 1.00 0.00 H new ATOM 1194 N ASN A 73 -5.591 -23.536 11.560 1.00 0.00 N ATOM 1195 CA ASN A 73 -5.206 -22.626 12.642 1.00 0.00 C ATOM 1196 C ASN A 73 -6.142 -22.789 13.834 1.00 0.00 C ATOM 1197 O ASN A 73 -5.713 -22.748 14.989 1.00 0.00 O ATOM 1198 CB ASN A 73 -5.230 -21.167 12.158 1.00 0.00 C ATOM 1199 CG ASN A 73 -4.219 -20.898 11.061 1.00 0.00 C ATOM 1200 OD1 ASN A 73 -3.139 -21.492 11.033 1.00 0.00 O ATOM 1201 ND2 ASN A 73 -4.560 -20.000 10.151 1.00 0.00 N ATOM 0 H ASN A 73 -5.889 -23.068 10.704 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.191 -22.877 12.950 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.228 -20.926 11.793 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.030 -20.505 13.001 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.919 -19.777 9.390 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.464 -19.531 10.211 1.00 0.00 H new ATOM 1208 N GLU A 74 -7.424 -22.971 13.545 1.00 0.00 N ATOM 1209 CA GLU A 74 -8.432 -23.147 14.582 1.00 0.00 C ATOM 1210 C GLU A 74 -8.176 -24.425 15.380 1.00 0.00 C ATOM 1211 O GLU A 74 -8.128 -24.397 16.610 1.00 0.00 O ATOM 1212 CB GLU A 74 -9.834 -23.174 13.966 1.00 0.00 C ATOM 1213 CG GLU A 74 -10.919 -23.547 14.965 1.00 0.00 C ATOM 1214 CD GLU A 74 -12.322 -23.376 14.418 1.00 0.00 C ATOM 1215 OE1 GLU A 74 -12.699 -22.234 14.085 1.00 0.00 O ATOM 1216 OE2 GLU A 74 -13.063 -24.376 14.353 1.00 0.00 O ATOM 0 H GLU A 74 -7.792 -23.001 12.594 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.367 -22.300 15.266 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.058 -22.194 13.545 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.848 -23.886 13.141 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.780 -24.584 15.272 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.807 -22.933 15.858 1.00 0.00 H new ATOM 1223 N ILE A 75 -7.997 -25.534 14.670 1.00 0.00 N ATOM 1224 CA ILE A 75 -7.802 -26.837 15.301 1.00 0.00 C ATOM 1225 C ILE A 75 -6.616 -26.807 16.263 1.00 0.00 C ATOM 1226 O ILE A 75 -6.690 -27.351 17.366 1.00 0.00 O ATOM 1227 CB ILE A 75 -7.601 -27.947 14.239 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -8.832 -28.014 13.320 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -7.345 -29.304 14.900 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -8.713 -29.008 12.186 1.00 0.00 C ATOM 0 H ILE A 75 -7.983 -25.557 13.650 1.00 0.00 H new ATOM 0 HA ILE A 75 -8.703 -27.065 15.870 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.723 -27.701 13.641 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.705 -28.270 13.921 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.012 -27.024 12.901 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.208 -30.064 14.130 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.448 -29.245 15.516 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.197 -29.571 15.525 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.625 -28.989 11.589 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.862 -28.743 11.558 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.566 -30.008 12.593 1.00 0.00 H new ATOM 1242 N PHE A 76 -5.535 -26.146 15.850 1.00 0.00 N ATOM 1243 CA PHE A 76 -4.359 -25.977 16.703 1.00 0.00 C ATOM 1244 C PHE A 76 -4.755 -25.354 18.046 1.00 0.00 C ATOM 1245 O PHE A 76 -4.306 -25.792 19.108 1.00 0.00 O ATOM 1246 CB PHE A 76 -3.316 -25.097 15.995 1.00 0.00 C ATOM 1247 CG PHE A 76 -2.127 -24.740 16.855 1.00 0.00 C ATOM 1248 CD1 PHE A 76 -1.192 -25.704 17.205 1.00 0.00 C ATOM 1249 CD2 PHE A 76 -1.947 -23.442 17.317 1.00 0.00 C ATOM 1250 CE1 PHE A 76 -0.105 -25.381 17.993 1.00 0.00 C ATOM 1251 CE2 PHE A 76 -0.861 -23.116 18.107 1.00 0.00 C ATOM 1252 CZ PHE A 76 0.060 -24.087 18.446 1.00 0.00 C ATOM 0 H PHE A 76 -5.449 -25.718 14.928 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.923 -26.958 16.893 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.964 -25.615 15.103 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.798 -24.178 15.660 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.316 -26.719 16.857 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.665 -22.678 17.055 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.616 -26.141 18.255 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.733 -22.103 18.459 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.909 -23.835 19.065 1.00 0.00 H new ATOM 1262 N GLN A 77 -5.611 -24.339 17.980 1.00 0.00 N ATOM 1263 CA GLN A 77 -6.087 -23.639 19.171 1.00 0.00 C ATOM 1264 C GLN A 77 -6.999 -24.545 20.001 1.00 0.00 C ATOM 1265 O GLN A 77 -6.908 -24.581 21.229 1.00 0.00 O ATOM 1266 CB GLN A 77 -6.842 -22.368 18.757 1.00 0.00 C ATOM 1267 CG GLN A 77 -5.984 -21.368 17.985 1.00 0.00 C ATOM 1268 CD GLN A 77 -6.805 -20.257 17.348 1.00 0.00 C ATOM 1269 OE1 GLN A 77 -7.054 -19.217 17.958 1.00 0.00 O ATOM 1270 NE2 GLN A 77 -7.221 -20.470 16.109 1.00 0.00 N ATOM 0 H GLN A 77 -5.993 -23.979 17.105 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.228 -23.365 19.783 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.698 -22.648 18.143 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.235 -21.882 19.650 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.249 -20.929 18.660 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.429 -21.895 17.209 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.993 -21.346 15.638 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -7.769 -19.758 15.626 1.00 0.00 H new ATOM 1279 N LYS A 78 -7.865 -25.283 19.313 1.00 0.00 N ATOM 1280 CA LYS A 78 -8.801 -26.197 19.964 1.00 0.00 C ATOM 1281 C LYS A 78 -8.053 -27.235 20.797 1.00 0.00 C ATOM 1282 O LYS A 78 -8.428 -27.532 21.934 1.00 0.00 O ATOM 1283 CB LYS A 78 -9.661 -26.913 18.915 1.00 0.00 C ATOM 1284 CG LYS A 78 -10.554 -25.992 18.090 1.00 0.00 C ATOM 1285 CD LYS A 78 -11.682 -25.388 18.921 1.00 0.00 C ATOM 1286 CE LYS A 78 -12.604 -24.526 18.067 1.00 0.00 C ATOM 1287 NZ LYS A 78 -13.232 -25.303 16.963 1.00 0.00 N ATOM 0 H LYS A 78 -7.939 -25.266 18.296 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.443 -25.610 20.621 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.005 -27.462 18.240 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.287 -27.649 19.419 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.951 -25.191 17.662 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.978 -26.551 17.256 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.258 -26.186 19.389 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.260 -24.785 19.725 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.383 -24.096 18.696 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.037 -23.694 17.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.769 -24.660 16.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.492 -25.776 16.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.874 -26.017 17.363 1.00 0.00 H new ATOM 1301 N ILE A 79 -6.983 -27.772 20.220 1.00 0.00 N ATOM 1302 CA ILE A 79 -6.204 -28.838 20.850 1.00 0.00 C ATOM 1303 C ILE A 79 -5.569 -28.372 22.161 1.00 0.00 C ATOM 1304 O ILE A 79 -5.366 -29.164 23.077 1.00 0.00 O ATOM 1305 CB ILE A 79 -5.109 -29.375 19.891 1.00 0.00 C ATOM 1306 CG1 ILE A 79 -5.761 -30.007 18.647 1.00 0.00 C ATOM 1307 CG2 ILE A 79 -4.210 -30.389 20.598 1.00 0.00 C ATOM 1308 CD1 ILE A 79 -4.770 -30.523 17.623 1.00 0.00 C ATOM 0 H ILE A 79 -6.631 -27.484 19.307 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.898 -29.648 21.076 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.486 -28.537 19.577 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.401 -30.830 18.964 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.405 -29.267 18.172 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.451 -30.749 19.903 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.725 -29.913 21.450 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.812 -31.229 20.946 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.309 -30.952 16.779 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.146 -29.700 17.274 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.141 -31.288 18.079 1.00 0.00 H new ATOM 1320 N SER A 80 -5.261 -27.087 22.260 1.00 0.00 N ATOM 1321 CA SER A 80 -4.636 -26.552 23.466 1.00 0.00 C ATOM 1322 C SER A 80 -5.677 -26.185 24.531 1.00 0.00 C ATOM 1323 O SER A 80 -5.346 -25.576 25.550 1.00 0.00 O ATOM 1324 CB SER A 80 -3.768 -25.343 23.110 1.00 0.00 C ATOM 1325 OG SER A 80 -4.501 -24.365 22.389 1.00 0.00 O ATOM 0 H SER A 80 -5.431 -26.398 21.527 1.00 0.00 H new ATOM 0 HA SER A 80 -4.003 -27.330 23.893 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.370 -24.900 24.023 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.915 -25.670 22.516 1.00 0.00 H new ATOM 0 HG SER A 80 -5.435 -24.650 22.308 1.00 0.00 H new ATOM 1331 N GLN A 81 -6.930 -26.582 24.301 1.00 0.00 N ATOM 1332 CA GLN A 81 -8.023 -26.285 25.234 1.00 0.00 C ATOM 1333 C GLN A 81 -8.327 -27.488 26.134 1.00 0.00 C ATOM 1334 O GLN A 81 -9.343 -27.510 26.830 1.00 0.00 O ATOM 1335 CB GLN A 81 -9.286 -25.875 24.464 1.00 0.00 C ATOM 1336 CG GLN A 81 -9.114 -24.613 23.626 1.00 0.00 C ATOM 1337 CD GLN A 81 -10.364 -24.242 22.839 1.00 0.00 C ATOM 1338 OE1 GLN A 81 -10.625 -23.066 22.587 1.00 0.00 O ATOM 1339 NE2 GLN A 81 -11.137 -25.240 22.432 1.00 0.00 N ATOM 0 H GLN A 81 -7.215 -27.111 23.476 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.705 -25.457 25.867 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.584 -26.695 23.811 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.099 -25.721 25.174 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.845 -23.784 24.280 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -8.285 -24.755 22.933 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.889 -26.203 22.660 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.979 -25.045 21.891 1.00 0.00 H new ATOM 1348 N LEU A 82 -7.442 -28.484 26.123 1.00 0.00 N ATOM 1349 CA LEU A 82 -7.632 -29.682 26.947 1.00 0.00 C ATOM 1350 C LEU A 82 -7.278 -29.386 28.400 1.00 0.00 C ATOM 1351 O LEU A 82 -7.757 -30.064 29.309 1.00 0.00 O ATOM 1352 CB LEU A 82 -6.762 -30.847 26.437 1.00 0.00 C ATOM 1353 CG LEU A 82 -6.726 -31.013 24.913 1.00 0.00 C ATOM 1354 CD1 LEU A 82 -5.778 -32.135 24.500 1.00 0.00 C ATOM 1355 CD2 LEU A 82 -8.127 -31.250 24.367 1.00 0.00 C ATOM 0 H LEU A 82 -6.592 -28.488 25.558 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.681 -29.971 26.879 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.743 -30.703 26.795 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.127 -31.774 26.879 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.345 -30.087 24.482 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.775 -32.227 23.414 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.771 -31.906 24.848 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.110 -33.074 24.943 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.081 -31.365 23.284 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.542 -32.155 24.811 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.763 -30.400 24.614 1.00 0.00 H new ATOM 1367 N ASP A 83 -6.424 -28.377 28.591 1.00 0.00 N ATOM 1368 CA ASP A 83 -5.884 -27.998 29.907 1.00 0.00 C ATOM 1369 C ASP A 83 -4.870 -29.032 30.405 1.00 0.00 C ATOM 1370 O ASP A 83 -3.811 -28.677 30.923 1.00 0.00 O ATOM 1371 CB ASP A 83 -6.999 -27.785 30.943 1.00 0.00 C ATOM 1372 CG ASP A 83 -6.483 -27.129 32.218 1.00 0.00 C ATOM 1373 OD1 ASP A 83 -6.439 -25.879 32.270 1.00 0.00 O ATOM 1374 OD2 ASP A 83 -6.112 -27.853 33.166 1.00 0.00 O ATOM 0 H ASP A 83 -6.082 -27.791 27.829 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.368 -27.046 29.781 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.782 -27.164 30.508 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.453 -28.745 31.189 1.00 0.00 H new ATOM 1379 N LYS A 84 -5.191 -30.312 30.223 1.00 0.00 N ATOM 1380 CA LYS A 84 -4.284 -31.410 30.566 1.00 0.00 C ATOM 1381 C LYS A 84 -3.103 -31.471 29.588 1.00 0.00 C ATOM 1382 O LYS A 84 -2.174 -32.267 29.759 1.00 0.00 O ATOM 1383 CB LYS A 84 -5.048 -32.745 30.549 1.00 0.00 C ATOM 1384 CG LYS A 84 -5.709 -33.054 29.205 1.00 0.00 C ATOM 1385 CD LYS A 84 -6.396 -34.417 29.185 1.00 0.00 C ATOM 1386 CE LYS A 84 -7.458 -34.562 30.275 1.00 0.00 C ATOM 1387 NZ LYS A 84 -7.921 -35.971 30.430 1.00 0.00 N ATOM 0 H LYS A 84 -6.083 -30.618 29.835 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.891 -31.231 31.567 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.359 -33.552 30.800 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.813 -32.726 31.325 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.442 -32.279 28.979 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.956 -33.020 28.418 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.859 -34.571 28.210 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.646 -35.198 29.309 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.053 -34.209 31.223 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.310 -33.926 30.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.961 -35.996 30.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.563 -36.543 29.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.563 -36.357 31.327 1.00 0.00 H new ATOM 1401 N VAL A 85 -3.161 -30.630 28.556 1.00 0.00 N ATOM 1402 CA VAL A 85 -2.112 -30.553 27.544 1.00 0.00 C ATOM 1403 C VAL A 85 -1.075 -29.497 27.930 1.00 0.00 C ATOM 1404 O VAL A 85 -1.429 -28.430 28.434 1.00 0.00 O ATOM 1405 CB VAL A 85 -2.711 -30.225 26.148 1.00 0.00 C ATOM 1406 CG1 VAL A 85 -3.454 -28.889 26.165 1.00 0.00 C ATOM 1407 CG2 VAL A 85 -1.628 -30.234 25.072 1.00 0.00 C ATOM 0 H VAL A 85 -3.935 -29.985 28.399 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.624 -31.526 27.490 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.433 -31.004 25.905 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.862 -28.687 25.175 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.267 -28.934 26.890 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.764 -28.092 26.443 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.074 -30.002 24.105 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.871 -29.487 25.311 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.165 -31.220 25.030 1.00 0.00 H new ATOM 1417 N VAL A 86 0.201 -29.803 27.705 1.00 0.00 N ATOM 1418 CA VAL A 86 1.286 -28.888 28.057 1.00 0.00 C ATOM 1419 C VAL A 86 1.949 -28.303 26.810 1.00 0.00 C ATOM 1420 O VAL A 86 2.557 -27.228 26.866 1.00 0.00 O ATOM 1421 CB VAL A 86 2.361 -29.592 28.924 1.00 0.00 C ATOM 1422 CG1 VAL A 86 1.753 -30.098 30.230 1.00 0.00 C ATOM 1423 CG2 VAL A 86 3.021 -30.736 28.152 1.00 0.00 C ATOM 0 H VAL A 86 0.510 -30.678 27.280 1.00 0.00 H new ATOM 0 HA VAL A 86 0.839 -28.079 28.634 1.00 0.00 H new ATOM 0 HB VAL A 86 3.133 -28.862 29.168 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.524 -30.589 30.824 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.343 -29.258 30.790 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.957 -30.809 30.009 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.771 -31.214 28.781 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.265 -31.468 27.869 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.498 -30.342 27.255 1.00 0.00 H new ATOM 1433 N GLN A 87 1.834 -29.011 25.689 1.00 0.00 N ATOM 1434 CA GLN A 87 2.458 -28.576 24.444 1.00 0.00 C ATOM 1435 C GLN A 87 1.669 -29.076 23.235 1.00 0.00 C ATOM 1436 O GLN A 87 1.230 -30.229 23.199 1.00 0.00 O ATOM 1437 CB GLN A 87 3.912 -29.077 24.371 1.00 0.00 C ATOM 1438 CG GLN A 87 4.645 -28.668 23.094 1.00 0.00 C ATOM 1439 CD GLN A 87 4.681 -27.162 22.888 1.00 0.00 C ATOM 1440 OE1 GLN A 87 4.704 -26.394 23.845 1.00 0.00 O ATOM 1441 NE2 GLN A 87 4.674 -26.730 21.637 1.00 0.00 N ATOM 0 H GLN A 87 1.315 -29.886 25.618 1.00 0.00 H new ATOM 0 HA GLN A 87 2.458 -27.486 24.427 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.461 -28.695 25.232 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.916 -30.164 24.448 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.666 -29.049 23.129 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.160 -29.135 22.237 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.655 -27.398 20.867 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.688 -25.729 21.443 1.00 0.00 H new ATOM 1450 N THR A 88 1.489 -28.194 22.257 1.00 0.00 N ATOM 1451 CA THR A 88 0.800 -28.522 21.015 1.00 0.00 C ATOM 1452 C THR A 88 1.649 -28.096 19.817 1.00 0.00 C ATOM 1453 O THR A 88 2.142 -26.966 19.766 1.00 0.00 O ATOM 1454 CB THR A 88 -0.579 -27.824 20.946 1.00 0.00 C ATOM 1455 OG1 THR A 88 -0.430 -26.421 21.208 1.00 0.00 O ATOM 1456 CG2 THR A 88 -1.557 -28.426 21.951 1.00 0.00 C ATOM 0 H THR A 88 1.818 -27.230 22.304 1.00 0.00 H new ATOM 0 HA THR A 88 0.646 -29.601 20.988 1.00 0.00 H new ATOM 0 HB THR A 88 -0.980 -27.973 19.944 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.318 -25.940 20.361 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.516 -27.913 21.877 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.694 -29.486 21.735 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.160 -28.309 22.959 1.00 0.00 H new ATOM 1464 N LEU A 89 1.852 -29.010 18.873 1.00 0.00 N ATOM 1465 CA LEU A 89 2.588 -28.706 17.650 1.00 0.00 C ATOM 1466 C LEU A 89 1.655 -28.794 16.447 1.00 0.00 C ATOM 1467 O LEU A 89 1.281 -29.888 16.022 1.00 0.00 O ATOM 1468 CB LEU A 89 3.777 -29.667 17.448 1.00 0.00 C ATOM 1469 CG LEU A 89 4.906 -29.600 18.497 1.00 0.00 C ATOM 1470 CD1 LEU A 89 5.401 -28.168 18.677 1.00 0.00 C ATOM 1471 CD2 LEU A 89 4.462 -30.203 19.828 1.00 0.00 C ATOM 0 H LEU A 89 1.516 -29.971 18.932 1.00 0.00 H new ATOM 0 HA LEU A 89 2.981 -27.694 17.743 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.391 -30.686 17.427 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.211 -29.471 16.468 1.00 0.00 H new ATOM 0 HG LEU A 89 5.740 -30.197 18.128 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.197 -28.149 19.422 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.784 -27.793 17.728 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.577 -27.537 19.010 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.279 -30.141 20.546 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.602 -29.652 20.208 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.187 -31.247 19.681 1.00 0.00 H new