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= 0.75 K(o=1.2,f=-7.4!) USER MOD Set 1.2: A 70 SER OG : rot 88:sc= 0.467 USER MOD Set 2.1: A 49 LYS NZ :NH3+ -107:sc= 0.47 (180deg=0) USER MOD Set 2.2: A 61 ASN : amide:sc= -0.612 K(o=0.63,f=-7.4!) USER MOD Set 2.3: A 63 SER OG : rot -44:sc= 0.774 USER MOD Set 3.1: A 40 TYR OH : rot -80:sc= 0.155 USER MOD Set 3.2: A 78 LYS NZ :NH3+ -174:sc= 0.571 (180deg=-0.108) USER MOD Single : A 15 TYR OH : rot -121:sc= 0.383 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.562 USER MOD Single : A 21 TYR OH : rot 30:sc= -1.8! USER MOD Single : A 25 MET CE :methyl -132:sc= 0 (180deg=-0.162) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0177 USER MOD Single : A 27 THR OG1 : rot 170:sc= 0.684 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -170:sc= -0.21 USER MOD Single : A 31 SER OG : rot 109:sc= 0.579 USER MOD Single : A 32 THR OG1 : 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 -59:sc= 1.24 USER MOD Single : A 41 GLN : amide:sc= 0.738 K(o=0.74,f=-0.27) USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= -0.0393 (180deg=-0.245) USER MOD Single : A 50 ASN : amide:sc= -0.0573 X(o=-0.057,f=-0.031) USER MOD Single : A 51 THR OG1 : rot 33:sc= -0.363 USER MOD Single : A 52 SER OG : rot -166:sc= -1.53! USER MOD Single : A 53 LYS NZ :NH3+ 171:sc=-0.00803 (180deg=-0.0947) USER MOD Single : A 54 ASN : amide:sc= -0.0205 K(o=-0.02,f=-1.7!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 104:sc= 0.0208 USER MOD Single : A 59 SER OG : rot 120:sc= 0.761 USER MOD Single : A 64 MET CE :methyl 177:sc= -2.12! (180deg=-2.17!) USER MOD Single : A 67 SER OG : rot 80:sc= 0.567 USER MOD Single : A 73 ASN : amide:sc= -0.93! X(o=-0.93!,f=-0.72) USER MOD Single : A 77 GLN : amide:sc= -0.266 X(o=-0.27,f=0) USER MOD Single : A 80 SER OG : rot -29:sc= 0.252 USER MOD Single : A 81 GLN : amide:sc= -0.853 K(o=-0.85,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 155:sc= -0.135 (180deg=-0.563) USER MOD Single : A 87 GLN : amide:sc= -0.116 K(o=-0.12,f=-2.4!) USER MOD Single : A 88 THR OG1 : rot 40:sc= 0.412 USER MOD ----------------------------------------------------------------- ATOM 220 N TYR A 15 -6.240 -30.076 -0.944 1.00 0.00 N ATOM 221 CA TYR A 15 -7.316 -29.888 0.022 1.00 0.00 C ATOM 222 C TYR A 15 -8.641 -30.387 -0.560 1.00 0.00 C ATOM 223 O TYR A 15 -8.919 -30.175 -1.742 1.00 0.00 O ATOM 224 CB TYR A 15 -7.434 -28.408 0.414 1.00 0.00 C ATOM 225 CG TYR A 15 -6.237 -27.874 1.184 1.00 0.00 C ATOM 226 CD1 TYR A 15 -5.149 -27.313 0.523 1.00 0.00 C ATOM 227 CD2 TYR A 15 -6.200 -27.927 2.574 1.00 0.00 C ATOM 228 CE1 TYR A 15 -4.061 -26.825 1.224 1.00 0.00 C ATOM 229 CE2 TYR A 15 -5.116 -27.439 3.280 1.00 0.00 C ATOM 230 CZ TYR A 15 -4.051 -26.888 2.601 1.00 0.00 C ATOM 231 OH TYR A 15 -2.970 -26.401 3.303 1.00 0.00 O ATOM 0 HA TYR A 15 -7.084 -30.466 0.916 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -7.566 -27.813 -0.490 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -8.331 -28.273 1.018 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.154 -27.258 -0.556 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -7.033 -28.357 3.111 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.223 -26.396 0.695 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.104 -27.489 4.359 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.578 -27.121 3.840 1.00 0.00 H new ATOM 241 N PRO A 16 -9.480 -31.061 0.254 1.00 0.00 N ATOM 242 CA PRO A 16 -9.191 -31.374 1.654 1.00 0.00 C ATOM 243 C PRO A 16 -8.379 -32.664 1.807 1.00 0.00 C ATOM 244 O PRO A 16 -8.556 -33.618 1.043 1.00 0.00 O ATOM 245 CB PRO A 16 -10.592 -31.530 2.286 1.00 0.00 C ATOM 246 CG PRO A 16 -11.578 -31.382 1.159 1.00 0.00 C ATOM 247 CD PRO A 16 -10.802 -31.563 -0.118 1.00 0.00 C ATOM 0 HA PRO A 16 -8.584 -30.603 2.128 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.695 -32.502 2.769 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.760 -30.773 3.053 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.372 -32.125 1.239 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.054 -30.402 1.187 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.769 -32.607 -0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.236 -30.997 -0.942 1.00 0.00 H new ATOM 255 N CYS A 17 -7.499 -32.685 2.801 1.00 0.00 N ATOM 256 CA CYS A 17 -6.639 -33.836 3.063 1.00 0.00 C ATOM 257 C CYS A 17 -6.320 -33.917 4.551 1.00 0.00 C ATOM 258 O CYS A 17 -6.520 -32.945 5.289 1.00 0.00 O ATOM 259 CB CYS A 17 -5.345 -33.724 2.243 1.00 0.00 C ATOM 260 SG CYS A 17 -4.196 -35.104 2.459 1.00 0.00 S ATOM 0 H CYS A 17 -7.361 -31.908 3.447 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.160 -34.746 2.767 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.605 -33.646 1.187 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.837 -32.799 2.515 1.00 0.00 H new ATOM 0 HG CYS A 17 -3.142 -34.911 1.723 1.00 0.00 H new ATOM 266 N LEU A 18 -5.839 -35.076 4.987 1.00 0.00 N ATOM 267 CA LEU A 18 -5.508 -35.300 6.391 1.00 0.00 C ATOM 268 C LEU A 18 -4.277 -34.492 6.795 1.00 0.00 C ATOM 269 O LEU A 18 -3.147 -34.848 6.458 1.00 0.00 O ATOM 270 CB LEU A 18 -5.269 -36.795 6.645 1.00 0.00 C ATOM 271 CG LEU A 18 -6.509 -37.689 6.481 1.00 0.00 C ATOM 272 CD1 LEU A 18 -6.114 -39.162 6.432 1.00 0.00 C ATOM 273 CD2 LEU A 18 -7.505 -37.442 7.612 1.00 0.00 C ATOM 0 H LEU A 18 -5.668 -35.881 4.384 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.349 -34.967 6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.495 -37.145 5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.882 -36.919 7.656 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.988 -37.432 5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.008 -39.775 6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.445 -39.332 5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.606 -39.433 7.357 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.375 -38.084 7.477 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.033 -37.667 8.568 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.819 -36.398 7.599 1.00 0.00 H new ATOM 285 N TRP A 19 -4.512 -33.397 7.506 1.00 0.00 N ATOM 286 CA TRP A 19 -3.437 -32.557 8.022 1.00 0.00 C ATOM 287 C TRP A 19 -3.014 -33.071 9.395 1.00 0.00 C ATOM 288 O TRP A 19 -3.856 -33.530 10.174 1.00 0.00 O ATOM 289 CB TRP A 19 -3.902 -31.097 8.112 1.00 0.00 C ATOM 290 CG TRP A 19 -2.790 -30.118 8.367 1.00 0.00 C ATOM 291 CD1 TRP A 19 -2.278 -29.748 9.578 1.00 0.00 C ATOM 292 CD2 TRP A 19 -2.057 -29.378 7.382 1.00 0.00 C ATOM 293 NE1 TRP A 19 -1.272 -28.830 9.405 1.00 0.00 N ATOM 294 CE2 TRP A 19 -1.118 -28.585 8.068 1.00 0.00 C ATOM 295 CE3 TRP A 19 -2.104 -29.309 5.986 1.00 0.00 C ATOM 296 CZ2 TRP A 19 -0.232 -27.737 7.408 1.00 0.00 C ATOM 297 CZ3 TRP A 19 -1.225 -28.466 5.331 1.00 0.00 C ATOM 298 CH2 TRP A 19 -0.300 -27.690 6.042 1.00 0.00 C ATOM 0 H TRP A 19 -5.448 -33.066 7.741 1.00 0.00 H new ATOM 0 HA TRP A 19 -2.584 -32.600 7.345 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -4.404 -30.828 7.183 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -4.640 -31.009 8.909 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -2.616 -30.123 10.533 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -0.727 -28.400 10.153 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -2.814 -29.903 5.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.482 -27.139 7.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -1.252 -28.405 4.253 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.373 -27.041 5.501 1.00 0.00 H new ATOM 309 N ASP A 20 -1.719 -32.995 9.688 1.00 0.00 N ATOM 310 CA ASP A 20 -1.171 -33.566 10.918 1.00 0.00 C ATOM 311 C ASP A 20 -0.781 -32.478 11.917 1.00 0.00 C ATOM 312 O ASP A 20 -0.119 -31.495 11.567 1.00 0.00 O ATOM 313 CB ASP A 20 0.042 -34.450 10.598 1.00 0.00 C ATOM 314 CG ASP A 20 0.605 -35.139 11.832 1.00 0.00 C ATOM 315 OD1 ASP A 20 -0.151 -35.871 12.506 1.00 0.00 O ATOM 316 OD2 ASP A 20 1.807 -34.963 12.129 1.00 0.00 O ATOM 0 H ASP A 20 -1.027 -32.543 9.090 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.949 -34.176 11.377 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.246 -35.204 9.865 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.821 -33.840 10.140 1.00 0.00 H new ATOM 321 N TYR A 21 -1.195 -32.673 13.164 1.00 0.00 N ATOM 322 CA TYR A 21 -0.918 -31.744 14.253 1.00 0.00 C ATOM 323 C TYR A 21 -0.171 -32.474 15.365 1.00 0.00 C ATOM 324 O TYR A 21 -0.581 -33.562 15.782 1.00 0.00 O ATOM 325 CB TYR A 21 -2.224 -31.166 14.823 1.00 0.00 C ATOM 326 CG TYR A 21 -3.088 -30.424 13.816 1.00 0.00 C ATOM 327 CD1 TYR A 21 -4.031 -31.099 13.044 1.00 0.00 C ATOM 328 CD2 TYR A 21 -2.971 -29.048 13.650 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.826 -30.424 12.137 1.00 0.00 C ATOM 330 CE2 TYR A 21 -3.766 -28.366 12.746 1.00 0.00 C ATOM 331 CZ TYR A 21 -4.691 -29.059 11.992 1.00 0.00 C ATOM 332 OH TYR A 21 -5.487 -28.386 11.093 1.00 0.00 O ATOM 0 H TYR A 21 -1.737 -33.488 13.450 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.311 -30.927 13.863 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.808 -31.980 15.251 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.978 -30.487 15.639 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.143 -32.167 13.156 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.247 -28.502 14.237 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.550 -30.963 11.544 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.663 -27.297 12.631 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.347 -28.849 11.007 1.00 0.00 H new ATOM 342 N ARG A 22 0.922 -31.888 15.837 1.00 0.00 N ATOM 343 CA ARG A 22 1.668 -32.445 16.962 1.00 0.00 C ATOM 344 C ARG A 22 1.172 -31.814 18.262 1.00 0.00 C ATOM 345 O ARG A 22 1.390 -30.626 18.511 1.00 0.00 O ATOM 346 CB ARG A 22 3.175 -32.203 16.780 1.00 0.00 C ATOM 347 CG ARG A 22 4.040 -32.701 17.938 1.00 0.00 C ATOM 348 CD ARG A 22 3.950 -34.213 18.114 1.00 0.00 C ATOM 349 NE ARG A 22 4.840 -34.695 19.175 1.00 0.00 N ATOM 350 CZ ARG A 22 5.891 -35.493 18.968 1.00 0.00 C ATOM 351 NH1 ARG A 22 6.202 -35.884 17.737 1.00 0.00 N ATOM 352 NH2 ARG A 22 6.629 -35.895 19.996 1.00 0.00 N ATOM 0 H ARG A 22 1.313 -31.025 15.459 1.00 0.00 H new ATOM 0 HA ARG A 22 1.504 -33.522 17.005 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.501 -32.693 15.862 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.346 -31.134 16.649 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.078 -32.418 17.762 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.728 -32.210 18.860 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.922 -34.490 18.349 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.206 -34.703 17.175 1.00 0.00 H new ATOM 0 HE ARG A 22 4.644 -34.402 20.132 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.637 -35.575 16.946 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.005 -36.493 17.583 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.393 -35.594 20.942 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.432 -36.504 19.840 1.00 0.00 H new ATOM 366 N VAL A 23 0.491 -32.612 19.078 1.00 0.00 N ATOM 367 CA VAL A 23 -0.100 -32.127 20.323 1.00 0.00 C ATOM 368 C VAL A 23 0.627 -32.722 21.526 1.00 0.00 C ATOM 369 O VAL A 23 0.646 -33.938 21.702 1.00 0.00 O ATOM 370 CB VAL A 23 -1.605 -32.490 20.402 1.00 0.00 C ATOM 371 CG1 VAL A 23 -2.239 -31.935 21.677 1.00 0.00 C ATOM 372 CG2 VAL A 23 -2.347 -31.991 19.163 1.00 0.00 C ATOM 0 H VAL A 23 0.333 -33.604 18.899 1.00 0.00 H new ATOM 0 HA VAL A 23 0.002 -31.042 20.338 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.688 -33.576 20.434 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.295 -32.205 21.706 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.734 -32.354 22.547 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.142 -30.849 21.689 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.401 -32.256 19.239 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.250 -30.908 19.092 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.920 -32.453 18.273 1.00 0.00 H new ATOM 382 N ILE A 24 1.237 -31.869 22.342 1.00 0.00 N ATOM 383 CA ILE A 24 1.939 -32.323 23.540 1.00 0.00 C ATOM 384 C ILE A 24 1.179 -31.888 24.793 1.00 0.00 C ATOM 385 O ILE A 24 1.134 -30.699 25.118 1.00 0.00 O ATOM 386 CB ILE A 24 3.388 -31.771 23.591 1.00 0.00 C ATOM 387 CG1 ILE A 24 4.159 -32.174 22.320 1.00 0.00 C ATOM 388 CG2 ILE A 24 4.110 -32.271 24.845 1.00 0.00 C ATOM 389 CD1 ILE A 24 5.575 -31.635 22.261 1.00 0.00 C ATOM 0 H ILE A 24 1.260 -30.860 22.197 1.00 0.00 H new ATOM 0 HA ILE A 24 1.989 -33.411 23.503 1.00 0.00 H new ATOM 0 HB ILE A 24 3.344 -30.683 23.636 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.192 -33.262 22.257 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.610 -31.821 21.447 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.125 -31.874 24.863 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.573 -31.936 25.732 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.147 -33.360 24.833 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.051 -31.962 21.337 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.551 -30.546 22.291 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.142 -32.009 23.113 1.00 0.00 H new ATOM 401 N MET A 25 0.568 -32.853 25.482 1.00 0.00 N ATOM 402 CA MET A 25 -0.206 -32.574 26.693 1.00 0.00 C ATOM 403 C MET A 25 0.426 -33.266 27.896 1.00 0.00 C ATOM 404 O MET A 25 1.026 -34.330 27.762 1.00 0.00 O ATOM 405 CB MET A 25 -1.668 -33.038 26.540 1.00 0.00 C ATOM 406 CG MET A 25 -2.403 -32.420 25.356 1.00 0.00 C ATOM 407 SD MET A 25 -4.199 -32.409 25.559 1.00 0.00 S ATOM 408 CE MET A 25 -4.572 -34.158 25.665 1.00 0.00 C ATOM 0 H MET A 25 0.594 -33.839 25.221 1.00 0.00 H new ATOM 0 HA MET A 25 -0.200 -31.495 26.850 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.683 -34.123 26.436 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.210 -32.798 27.454 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.054 -31.397 25.214 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.150 -32.972 24.451 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.402 -34.394 24.999 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.695 -34.735 25.372 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.846 -34.410 26.689 1.00 0.00 H new ATOM 418 N THR A 26 0.279 -32.666 29.072 1.00 0.00 N ATOM 419 CA THR A 26 0.801 -33.245 30.308 1.00 0.00 C ATOM 420 C THR A 26 -0.214 -34.215 30.921 1.00 0.00 C ATOM 421 O THR A 26 -0.411 -34.245 32.140 1.00 0.00 O ATOM 422 CB THR A 26 1.155 -32.130 31.323 1.00 0.00 C ATOM 423 OG1 THR A 26 0.075 -31.190 31.415 1.00 0.00 O ATOM 424 CG2 THR A 26 2.431 -31.399 30.919 1.00 0.00 C ATOM 0 H THR A 26 -0.200 -31.774 29.197 1.00 0.00 H new ATOM 0 HA THR A 26 1.708 -33.799 30.068 1.00 0.00 H new ATOM 0 HB THR A 26 1.319 -32.600 32.293 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.306 -30.489 32.060 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.653 -30.623 31.651 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.259 -32.107 30.879 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.295 -30.944 29.938 1.00 0.00 H new ATOM 432 N THR A 27 -0.834 -35.024 30.061 1.00 0.00 N ATOM 433 CA THR A 27 -1.886 -35.949 30.466 1.00 0.00 C ATOM 434 C THR A 27 -2.094 -37.018 29.394 1.00 0.00 C ATOM 435 O THR A 27 -1.730 -36.818 28.233 1.00 0.00 O ATOM 436 CB THR A 27 -3.225 -35.203 30.684 1.00 0.00 C ATOM 437 OG1 THR A 27 -4.240 -36.123 31.110 1.00 0.00 O ATOM 438 CG2 THR A 27 -3.674 -34.505 29.400 1.00 0.00 C ATOM 0 H THR A 27 -0.619 -35.054 29.064 1.00 0.00 H new ATOM 0 HA THR A 27 -1.574 -36.414 31.401 1.00 0.00 H new ATOM 0 HB THR A 27 -3.071 -34.450 31.457 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.033 -35.625 31.399 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.617 -33.988 29.578 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.916 -33.784 29.094 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.809 -35.245 28.612 1.00 0.00 H new ATOM 446 N LYS A 28 -2.669 -38.153 29.786 1.00 0.00 N ATOM 447 CA LYS A 28 -3.091 -39.173 28.825 1.00 0.00 C ATOM 448 C LYS A 28 -4.605 -39.138 28.659 1.00 0.00 C ATOM 449 O LYS A 28 -5.170 -39.883 27.853 1.00 0.00 O ATOM 450 CB LYS A 28 -2.655 -40.584 29.252 1.00 0.00 C ATOM 451 CG LYS A 28 -1.150 -40.829 29.172 1.00 0.00 C ATOM 452 CD LYS A 28 -0.824 -42.324 29.160 1.00 0.00 C ATOM 453 CE LYS A 28 -1.345 -43.002 27.892 1.00 0.00 C ATOM 454 NZ LYS A 28 -1.118 -44.474 27.902 1.00 0.00 N ATOM 0 H LYS A 28 -2.854 -38.391 30.761 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.606 -38.945 27.876 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.986 -40.759 30.276 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.164 -41.314 28.623 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.752 -40.362 28.271 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.658 -40.355 30.021 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.255 -42.463 29.231 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.265 -42.800 30.036 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.411 -42.802 27.788 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.853 -42.567 27.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.488 -44.888 27.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.099 -44.668 27.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.609 -44.895 28.716 1.00 0.00 H new ATOM 468 N ASP A 29 -5.256 -38.263 29.421 1.00 0.00 N ATOM 469 CA ASP A 29 -6.707 -38.154 29.388 1.00 0.00 C ATOM 470 C ASP A 29 -7.126 -37.314 28.195 1.00 0.00 C ATOM 471 O ASP A 29 -7.371 -36.111 28.315 1.00 0.00 O ATOM 472 CB ASP A 29 -7.249 -37.540 30.689 1.00 0.00 C ATOM 473 CG ASP A 29 -8.771 -37.607 30.780 1.00 0.00 C ATOM 474 OD1 ASP A 29 -9.454 -36.674 30.310 1.00 0.00 O ATOM 475 OD2 ASP A 29 -9.295 -38.606 31.323 1.00 0.00 O ATOM 0 H ASP A 29 -4.799 -37.620 30.068 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.127 -39.155 29.293 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.814 -38.062 31.541 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.930 -36.500 30.756 1.00 0.00 H new ATOM 480 N THR A 30 -7.143 -37.938 27.028 1.00 0.00 N ATOM 481 CA THR A 30 -7.597 -37.268 25.827 1.00 0.00 C ATOM 482 C THR A 30 -9.113 -37.418 25.711 1.00 0.00 C ATOM 483 O THR A 30 -9.627 -38.482 25.365 1.00 0.00 O ATOM 484 CB THR A 30 -6.880 -37.793 24.549 1.00 0.00 C ATOM 485 OG1 THR A 30 -7.434 -37.176 23.378 1.00 0.00 O ATOM 486 CG2 THR A 30 -6.969 -39.313 24.421 1.00 0.00 C ATOM 0 H THR A 30 -6.848 -38.905 26.890 1.00 0.00 H new ATOM 0 HA THR A 30 -7.340 -36.212 25.907 1.00 0.00 H new ATOM 0 HB THR A 30 -5.827 -37.528 24.641 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.090 -37.625 22.578 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.455 -39.633 23.515 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.500 -39.779 25.288 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.016 -39.613 24.369 1.00 0.00 H new ATOM 494 N SER A 31 -9.821 -36.356 26.070 1.00 0.00 N ATOM 495 CA SER A 31 -11.274 -36.331 26.016 1.00 0.00 C ATOM 496 C SER A 31 -11.732 -35.068 25.295 1.00 0.00 C ATOM 497 O SER A 31 -12.328 -35.135 24.217 1.00 0.00 O ATOM 498 CB SER A 31 -11.853 -36.382 27.438 1.00 0.00 C ATOM 499 OG SER A 31 -11.325 -37.480 28.168 1.00 0.00 O ATOM 0 H SER A 31 -9.403 -35.488 26.407 1.00 0.00 H new ATOM 0 HA SER A 31 -11.634 -37.202 25.468 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.626 -35.452 27.960 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.939 -36.463 27.389 1.00 0.00 H new ATOM 0 HG SER A 31 -10.714 -37.150 28.859 1.00 0.00 H new ATOM 505 N THR A 32 -11.408 -33.916 25.880 1.00 0.00 N ATOM 506 CA THR A 32 -11.758 -32.624 25.301 1.00 0.00 C ATOM 507 C THR A 32 -11.127 -32.468 23.914 1.00 0.00 C ATOM 508 O THR A 32 -11.724 -31.881 23.007 1.00 0.00 O ATOM 509 CB THR A 32 -11.298 -31.476 26.231 1.00 0.00 C ATOM 510 OG1 THR A 32 -11.770 -31.728 27.565 1.00 0.00 O ATOM 511 CG2 THR A 32 -11.821 -30.122 25.754 1.00 0.00 C ATOM 0 H THR A 32 -10.899 -33.854 26.762 1.00 0.00 H new ATOM 0 HA THR A 32 -12.842 -32.576 25.195 1.00 0.00 H new ATOM 0 HB THR A 32 -10.209 -31.441 26.214 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.479 -31.004 28.157 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.478 -29.340 26.432 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.448 -29.921 24.750 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.911 -30.137 25.740 1.00 0.00 H new ATOM 519 N LEU A 33 -9.923 -33.024 23.759 1.00 0.00 N ATOM 520 CA LEU A 33 -9.221 -33.028 22.475 1.00 0.00 C ATOM 521 C LEU A 33 -10.098 -33.641 21.381 1.00 0.00 C ATOM 522 O LEU A 33 -10.252 -33.068 20.307 1.00 0.00 O ATOM 523 CB LEU A 33 -7.899 -33.806 22.594 1.00 0.00 C ATOM 524 CG LEU A 33 -7.080 -33.937 21.294 1.00 0.00 C ATOM 525 CD1 LEU A 33 -6.697 -32.563 20.745 1.00 0.00 C ATOM 526 CD2 LEU A 33 -5.837 -34.795 21.526 1.00 0.00 C ATOM 0 H LEU A 33 -9.411 -33.481 24.514 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.000 -31.996 22.201 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.278 -33.318 23.345 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.120 -34.807 22.965 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.704 -34.432 20.550 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.120 -32.685 19.828 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.600 -31.992 20.532 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.097 -32.031 21.483 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.272 -34.876 20.597 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.213 -34.333 22.291 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.138 -35.790 21.855 1.00 0.00 H new ATOM 538 N LYS A 34 -10.683 -34.801 21.669 1.00 0.00 N ATOM 539 CA LYS A 34 -11.537 -35.485 20.700 1.00 0.00 C ATOM 540 C LYS A 34 -12.844 -34.724 20.497 1.00 0.00 C ATOM 541 O LYS A 34 -13.361 -34.661 19.385 1.00 0.00 O ATOM 542 CB LYS A 34 -11.828 -36.922 21.148 1.00 0.00 C ATOM 543 CG LYS A 34 -10.606 -37.840 21.134 1.00 0.00 C ATOM 544 CD LYS A 34 -10.957 -39.248 21.615 1.00 0.00 C ATOM 545 CE LYS A 34 -11.424 -39.242 23.065 1.00 0.00 C ATOM 546 NZ LYS A 34 -11.935 -40.567 23.506 1.00 0.00 N ATOM 0 H LYS A 34 -10.583 -35.286 22.561 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.003 -35.519 19.750 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.241 -36.900 22.157 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.594 -37.345 20.499 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.199 -37.890 20.124 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.827 -37.420 21.771 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.739 -39.666 20.981 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.086 -39.896 21.515 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.596 -38.943 23.708 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.208 -38.495 23.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.240 -40.509 24.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.743 -40.843 22.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.181 -41.277 23.417 1.00 0.00 H new ATOM 560 N GLU A 35 -13.363 -34.134 21.576 1.00 0.00 N ATOM 561 CA GLU A 35 -14.625 -33.392 21.522 1.00 0.00 C ATOM 562 C GLU A 35 -14.582 -32.311 20.443 1.00 0.00 C ATOM 563 O GLU A 35 -15.486 -32.217 19.608 1.00 0.00 O ATOM 564 CB GLU A 35 -14.940 -32.757 22.885 1.00 0.00 C ATOM 565 CG GLU A 35 -15.192 -33.768 23.998 1.00 0.00 C ATOM 566 CD GLU A 35 -16.396 -34.654 23.724 1.00 0.00 C ATOM 567 OE1 GLU A 35 -17.537 -34.216 23.993 1.00 0.00 O ATOM 568 OE2 GLU A 35 -16.210 -35.792 23.248 1.00 0.00 O ATOM 0 H GLU A 35 -12.929 -34.156 22.499 1.00 0.00 H new ATOM 0 HA GLU A 35 -15.414 -34.100 21.271 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.110 -32.113 23.175 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.818 -32.119 22.783 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.307 -34.393 24.123 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.343 -33.237 24.938 1.00 0.00 H new ATOM 575 N LEU A 36 -13.519 -31.509 20.450 1.00 0.00 N ATOM 576 CA LEU A 36 -13.383 -30.422 19.484 1.00 0.00 C ATOM 577 C LEU A 36 -13.232 -30.990 18.073 1.00 0.00 C ATOM 578 O LEU A 36 -13.680 -30.389 17.102 1.00 0.00 O ATOM 579 CB LEU A 36 -12.201 -29.503 19.857 1.00 0.00 C ATOM 580 CG LEU A 36 -10.784 -30.085 19.664 1.00 0.00 C ATOM 581 CD1 LEU A 36 -10.254 -29.797 18.259 1.00 0.00 C ATOM 582 CD2 LEU A 36 -9.826 -29.549 20.725 1.00 0.00 C ATOM 0 H LEU A 36 -12.745 -31.591 21.109 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.287 -29.813 19.507 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.278 -28.591 19.264 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.311 -29.214 20.902 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.851 -31.167 19.781 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.255 -30.219 18.154 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.918 -30.247 17.521 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.211 -28.720 18.100 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.834 -29.974 20.568 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.772 -28.463 20.651 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.187 -29.827 21.715 1.00 0.00 H new ATOM 594 N LEU A 37 -12.617 -32.165 17.973 1.00 0.00 N ATOM 595 CA LEU A 37 -12.451 -32.838 16.687 1.00 0.00 C ATOM 596 C LEU A 37 -13.796 -33.363 16.186 1.00 0.00 C ATOM 597 O LEU A 37 -14.068 -33.369 14.981 1.00 0.00 O ATOM 598 CB LEU A 37 -11.443 -33.994 16.813 1.00 0.00 C ATOM 599 CG LEU A 37 -10.028 -33.589 17.261 1.00 0.00 C ATOM 600 CD1 LEU A 37 -9.152 -34.823 17.468 1.00 0.00 C ATOM 601 CD2 LEU A 37 -9.387 -32.642 16.250 1.00 0.00 C ATOM 0 H LEU A 37 -12.225 -32.671 18.767 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.066 -32.117 15.966 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.837 -34.721 17.523 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.371 -34.497 15.849 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.114 -33.065 18.213 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.156 -34.513 17.784 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.595 -35.459 18.234 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.079 -35.378 16.533 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.387 -32.370 16.589 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.319 -33.136 15.281 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.996 -31.743 16.157 1.00 0.00 H new ATOM 613 N GLU A 38 -14.644 -33.782 17.124 1.00 0.00 N ATOM 614 CA GLU A 38 -15.940 -34.369 16.794 1.00 0.00 C ATOM 615 C GLU A 38 -16.941 -33.316 16.331 1.00 0.00 C ATOM 616 O GLU A 38 -17.848 -33.624 15.562 1.00 0.00 O ATOM 617 CB GLU A 38 -16.493 -35.161 17.986 1.00 0.00 C ATOM 618 CG GLU A 38 -15.738 -36.461 18.256 1.00 0.00 C ATOM 619 CD GLU A 38 -15.913 -37.498 17.149 1.00 0.00 C ATOM 620 OE1 GLU A 38 -15.347 -37.316 16.048 1.00 0.00 O ATOM 621 OE2 GLU A 38 -16.624 -38.504 17.374 1.00 0.00 O ATOM 0 H GLU A 38 -14.454 -33.725 18.125 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.786 -35.055 15.961 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.454 -34.535 18.878 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.543 -35.391 17.804 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.677 -36.240 18.374 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.082 -36.884 19.200 1.00 0.00 H new ATOM 628 N THR A 39 -16.768 -32.072 16.770 1.00 0.00 N ATOM 629 CA THR A 39 -17.676 -30.996 16.367 1.00 0.00 C ATOM 630 C THR A 39 -17.640 -30.773 14.846 1.00 0.00 C ATOM 631 O THR A 39 -18.530 -30.131 14.281 1.00 0.00 O ATOM 632 CB THR A 39 -17.354 -29.666 17.093 1.00 0.00 C ATOM 633 OG1 THR A 39 -16.015 -29.244 16.799 1.00 0.00 O ATOM 634 CG2 THR A 39 -17.521 -29.810 18.602 1.00 0.00 C ATOM 0 H THR A 39 -16.017 -31.784 17.398 1.00 0.00 H new ATOM 0 HA THR A 39 -18.678 -31.313 16.656 1.00 0.00 H new ATOM 0 HB THR A 39 -18.057 -28.915 16.733 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.384 -29.937 17.084 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.288 -28.861 19.086 1.00 0.00 H new ATOM 0 HG22 THR A 39 -18.549 -30.091 18.829 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.845 -30.581 18.971 1.00 0.00 H new ATOM 642 N TYR A 40 -16.609 -31.309 14.189 1.00 0.00 N ATOM 643 CA TYR A 40 -16.463 -31.180 12.738 1.00 0.00 C ATOM 644 C TYR A 40 -17.099 -32.367 12.008 1.00 0.00 C ATOM 645 O TYR A 40 -17.296 -32.318 10.791 1.00 0.00 O ATOM 646 CB TYR A 40 -14.981 -31.069 12.353 1.00 0.00 C ATOM 647 CG TYR A 40 -14.274 -29.853 12.930 1.00 0.00 C ATOM 648 CD1 TYR A 40 -14.311 -28.621 12.281 1.00 0.00 C ATOM 649 CD2 TYR A 40 -13.569 -29.940 14.123 1.00 0.00 C ATOM 650 CE1 TYR A 40 -13.665 -27.516 12.808 1.00 0.00 C ATOM 651 CE2 TYR A 40 -12.922 -28.840 14.656 1.00 0.00 C ATOM 652 CZ TYR A 40 -12.973 -27.631 13.995 1.00 0.00 C ATOM 653 OH TYR A 40 -12.338 -26.529 14.521 1.00 0.00 O ATOM 0 H TYR A 40 -15.862 -31.837 14.640 1.00 0.00 H new ATOM 0 HA TYR A 40 -16.981 -30.270 12.435 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.463 -31.968 12.686 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -14.901 -31.039 11.266 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.853 -28.526 11.351 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -13.525 -30.885 14.645 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -13.703 -26.568 12.292 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.379 -28.928 15.586 1.00 0.00 H new ATOM 0 HH TYR A 40 -11.483 -26.394 14.062 1.00 0.00 H new ATOM 663 N GLN A 41 -17.404 -33.433 12.756 1.00 0.00 N ATOM 664 CA GLN A 41 -18.028 -34.640 12.197 1.00 0.00 C ATOM 665 C GLN A 41 -17.175 -35.250 11.082 1.00 0.00 C ATOM 666 O GLN A 41 -17.700 -35.850 10.143 1.00 0.00 O ATOM 667 CB GLN A 41 -19.443 -34.329 11.679 1.00 0.00 C ATOM 668 CG GLN A 41 -20.468 -34.092 12.783 1.00 0.00 C ATOM 669 CD GLN A 41 -20.627 -35.301 13.693 1.00 0.00 C ATOM 670 OE1 GLN A 41 -21.433 -36.193 13.428 1.00 0.00 O ATOM 671 NE2 GLN A 41 -19.877 -35.331 14.784 1.00 0.00 N ATOM 0 H GLN A 41 -17.227 -33.485 13.759 1.00 0.00 H new ATOM 0 HA GLN A 41 -18.101 -35.373 13.000 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -19.400 -33.446 11.041 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -19.781 -35.156 11.055 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -20.166 -33.230 13.378 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -21.431 -33.848 12.335 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -19.219 -34.574 14.972 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -19.957 -36.111 15.437 1.00 0.00 H new ATOM 680 N ARG A 42 -15.860 -35.129 11.211 1.00 0.00 N ATOM 681 CA ARG A 42 -14.936 -35.653 10.209 1.00 0.00 C ATOM 682 C ARG A 42 -13.945 -36.615 10.869 1.00 0.00 C ATOM 683 O ARG A 42 -13.626 -36.467 12.051 1.00 0.00 O ATOM 684 CB ARG A 42 -14.197 -34.498 9.516 1.00 0.00 C ATOM 685 CG ARG A 42 -13.237 -33.741 10.426 1.00 0.00 C ATOM 686 CD ARG A 42 -12.654 -32.516 9.735 1.00 0.00 C ATOM 687 NE ARG A 42 -13.665 -31.479 9.503 1.00 0.00 N ATOM 688 CZ ARG A 42 -13.397 -30.283 8.976 1.00 0.00 C ATOM 689 NH1 ARG A 42 -12.168 -29.996 8.575 1.00 0.00 N ATOM 690 NH2 ARG A 42 -14.360 -29.382 8.838 1.00 0.00 N ATOM 0 H ARG A 42 -15.407 -34.671 12.002 1.00 0.00 H new ATOM 0 HA ARG A 42 -15.499 -36.200 9.453 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.640 -34.894 8.667 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -14.931 -33.798 9.117 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.760 -33.434 11.332 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.429 -34.404 10.734 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.848 -32.106 10.344 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.215 -32.813 8.783 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.631 -31.684 9.760 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.426 -30.689 8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.963 -29.082 8.172 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.311 -29.602 9.135 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.150 -28.469 8.435 1.00 0.00 H new ATOM 704 N PRO A 43 -13.446 -37.616 10.124 1.00 0.00 N ATOM 705 CA PRO A 43 -12.539 -38.628 10.677 1.00 0.00 C ATOM 706 C PRO A 43 -11.178 -38.043 11.056 1.00 0.00 C ATOM 707 O PRO A 43 -10.693 -37.096 10.425 1.00 0.00 O ATOM 708 CB PRO A 43 -12.396 -39.644 9.535 1.00 0.00 C ATOM 709 CG PRO A 43 -12.671 -38.858 8.300 1.00 0.00 C ATOM 710 CD PRO A 43 -13.707 -37.837 8.686 1.00 0.00 C ATOM 0 HA PRO A 43 -12.925 -39.062 11.600 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.397 -40.080 9.514 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -13.101 -40.468 9.646 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -11.765 -38.376 7.933 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.036 -39.502 7.500 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.599 -36.917 8.111 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -14.718 -38.204 8.512 1.00 0.00 H new ATOM 718 N PHE A 44 -10.575 -38.610 12.093 1.00 0.00 N ATOM 719 CA PHE A 44 -9.248 -38.203 12.534 1.00 0.00 C ATOM 720 C PHE A 44 -8.475 -39.418 13.037 1.00 0.00 C ATOM 721 O PHE A 44 -9.059 -40.349 13.601 1.00 0.00 O ATOM 722 CB PHE A 44 -9.336 -37.124 13.628 1.00 0.00 C ATOM 723 CG PHE A 44 -10.006 -37.582 14.902 1.00 0.00 C ATOM 724 CD1 PHE A 44 -9.261 -38.148 15.927 1.00 0.00 C ATOM 725 CD2 PHE A 44 -11.377 -37.443 15.075 1.00 0.00 C ATOM 726 CE1 PHE A 44 -9.866 -38.566 17.094 1.00 0.00 C ATOM 727 CE2 PHE A 44 -11.988 -37.861 16.244 1.00 0.00 C ATOM 728 CZ PHE A 44 -11.231 -38.424 17.254 1.00 0.00 C ATOM 0 H PHE A 44 -10.988 -39.359 12.648 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.717 -37.772 11.685 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.329 -36.780 13.864 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.881 -36.267 13.233 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.194 -38.263 15.809 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.973 -37.004 14.288 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.273 -39.004 17.883 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -13.055 -37.747 16.367 1.00 0.00 H new ATOM 0 HZ PHE A 44 -11.706 -38.752 18.167 1.00 0.00 H new ATOM 738 N LYS A 45 -7.167 -39.410 12.824 1.00 0.00 N ATOM 739 CA LYS A 45 -6.312 -40.512 13.238 1.00 0.00 C ATOM 740 C LYS A 45 -5.586 -40.138 14.526 1.00 0.00 C ATOM 741 O LYS A 45 -4.644 -39.340 14.516 1.00 0.00 O ATOM 742 CB LYS A 45 -5.323 -40.874 12.113 1.00 0.00 C ATOM 743 CG LYS A 45 -4.625 -42.227 12.294 1.00 0.00 C ATOM 744 CD LYS A 45 -3.400 -42.151 13.203 1.00 0.00 C ATOM 745 CE LYS A 45 -2.288 -41.304 12.591 1.00 0.00 C ATOM 746 NZ LYS A 45 -1.813 -41.853 11.292 1.00 0.00 N ATOM 0 H LYS A 45 -6.672 -38.646 12.363 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.921 -41.394 13.433 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.858 -40.879 11.163 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.565 -40.094 12.047 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.335 -42.943 12.709 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.323 -42.607 11.318 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.688 -41.730 14.166 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.027 -43.157 13.394 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.649 -40.286 12.443 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.451 -41.248 13.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.924 -41.386 11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.652 -42.876 11.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.531 -41.681 10.559 1.00 0.00 H new ATOM 760 N LEU A 46 -6.056 -40.705 15.630 1.00 0.00 N ATOM 761 CA LEU A 46 -5.507 -40.433 16.955 1.00 0.00 C ATOM 762 C LEU A 46 -4.543 -41.546 17.357 1.00 0.00 C ATOM 763 O LEU A 46 -4.924 -42.718 17.381 1.00 0.00 O ATOM 764 CB LEU A 46 -6.647 -40.327 17.981 1.00 0.00 C ATOM 765 CG LEU A 46 -6.223 -40.012 19.429 1.00 0.00 C ATOM 766 CD1 LEU A 46 -5.651 -38.600 19.537 1.00 0.00 C ATOM 767 CD2 LEU A 46 -7.401 -40.195 20.386 1.00 0.00 C ATOM 0 H LEU A 46 -6.831 -41.368 15.633 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.964 -39.488 16.929 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.338 -39.552 17.649 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.198 -41.267 17.981 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.439 -40.714 19.713 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.360 -38.403 20.569 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.778 -38.511 18.890 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.406 -37.877 19.229 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.082 -39.968 21.403 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.210 -39.522 20.101 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.753 -41.226 20.337 1.00 0.00 H new ATOM 779 N GLU A 47 -3.303 -41.176 17.658 1.00 0.00 N ATOM 780 CA GLU A 47 -2.279 -42.134 18.083 1.00 0.00 C ATOM 781 C GLU A 47 -1.351 -41.508 19.117 1.00 0.00 C ATOM 782 O GLU A 47 -1.219 -40.287 19.185 1.00 0.00 O ATOM 783 CB GLU A 47 -1.464 -42.638 16.877 1.00 0.00 C ATOM 784 CG GLU A 47 -2.090 -43.832 16.163 1.00 0.00 C ATOM 785 CD GLU A 47 -2.182 -45.055 17.065 1.00 0.00 C ATOM 786 OE1 GLU A 47 -1.151 -45.731 17.262 1.00 0.00 O ATOM 787 OE2 GLU A 47 -3.276 -45.335 17.600 1.00 0.00 O ATOM 0 H GLU A 47 -2.977 -40.210 17.616 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.786 -42.985 18.538 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.346 -41.822 16.164 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.465 -42.913 17.215 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.087 -43.563 15.814 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.499 -44.077 15.280 1.00 0.00 H new ATOM 794 N PHE A 48 -0.722 -42.351 19.924 1.00 0.00 N ATOM 795 CA PHE A 48 0.224 -41.898 20.938 1.00 0.00 C ATOM 796 C PHE A 48 1.649 -41.954 20.385 1.00 0.00 C ATOM 797 O PHE A 48 2.148 -43.028 20.050 1.00 0.00 O ATOM 798 CB PHE A 48 0.096 -42.772 22.195 1.00 0.00 C ATOM 799 CG PHE A 48 1.025 -42.381 23.317 1.00 0.00 C ATOM 800 CD1 PHE A 48 0.731 -41.296 24.130 1.00 0.00 C ATOM 801 CD2 PHE A 48 2.187 -43.100 23.560 1.00 0.00 C ATOM 802 CE1 PHE A 48 1.577 -40.938 25.160 1.00 0.00 C ATOM 803 CE2 PHE A 48 3.035 -42.745 24.591 1.00 0.00 C ATOM 804 CZ PHE A 48 2.729 -41.663 25.391 1.00 0.00 C ATOM 0 H PHE A 48 -0.851 -43.362 19.896 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.001 -40.866 21.207 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.932 -42.723 22.555 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.289 -43.810 21.923 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.169 -40.726 23.955 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.431 -43.947 22.936 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.338 -40.091 25.785 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.936 -43.313 24.771 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.391 -41.383 26.198 1.00 0.00 H new ATOM 814 N LYS A 49 2.290 -40.794 20.279 1.00 0.00 N ATOM 815 CA LYS A 49 3.661 -40.712 19.778 1.00 0.00 C ATOM 816 C LYS A 49 4.636 -41.328 20.784 1.00 0.00 C ATOM 817 O LYS A 49 5.025 -42.493 20.666 1.00 0.00 O ATOM 818 CB LYS A 49 4.055 -39.248 19.513 1.00 0.00 C ATOM 819 CG LYS A 49 3.294 -38.569 18.381 1.00 0.00 C ATOM 820 CD LYS A 49 3.662 -39.150 17.019 1.00 0.00 C ATOM 821 CE LYS A 49 3.085 -38.321 15.880 1.00 0.00 C ATOM 822 NZ LYS A 49 3.375 -38.921 14.552 1.00 0.00 N ATOM 0 H LYS A 49 1.882 -39.895 20.534 1.00 0.00 H new ATOM 0 HA LYS A 49 3.712 -41.269 18.842 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.902 -38.675 20.428 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.121 -39.210 19.288 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.222 -38.681 18.546 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.508 -37.500 18.390 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.747 -39.195 16.923 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.293 -40.173 16.948 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.007 -38.229 16.009 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.498 -37.313 15.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.101 -38.356 14.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.721 -39.894 14.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.507 -38.934 13.980 1.00 0.00 H new ATOM 836 N ASN A 50 4.997 -40.535 21.787 1.00 0.00 N ATOM 837 CA ASN A 50 5.962 -40.927 22.812 1.00 0.00 C ATOM 838 C ASN A 50 5.743 -40.079 24.059 1.00 0.00 C ATOM 839 O ASN A 50 4.897 -39.181 24.064 1.00 0.00 O ATOM 840 CB ASN A 50 7.414 -40.753 22.316 1.00 0.00 C ATOM 841 CG ASN A 50 7.909 -41.918 21.469 1.00 0.00 C ATOM 842 OD1 ASN A 50 8.409 -42.912 22.000 1.00 0.00 O ATOM 843 ND2 ASN A 50 7.798 -41.801 20.156 1.00 0.00 N ATOM 0 H ASN A 50 4.626 -39.593 21.914 1.00 0.00 H new ATOM 0 HA ASN A 50 5.809 -41.981 23.042 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.483 -39.835 21.733 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.072 -40.634 23.177 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.132 -42.548 19.547 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.379 -40.963 19.752 1.00 0.00 H new ATOM 850 N THR A 51 6.501 -40.366 25.108 1.00 0.00 N ATOM 851 CA THR A 51 6.445 -39.586 26.337 1.00 0.00 C ATOM 852 C THR A 51 7.859 -39.243 26.801 1.00 0.00 C ATOM 853 O THR A 51 8.798 -40.018 26.587 1.00 0.00 O ATOM 854 CB THR A 51 5.681 -40.338 27.457 1.00 0.00 C ATOM 855 OG1 THR A 51 5.517 -39.490 28.602 1.00 0.00 O ATOM 856 CG2 THR A 51 6.403 -41.620 27.867 1.00 0.00 C ATOM 0 H THR A 51 7.166 -41.139 25.132 1.00 0.00 H new ATOM 0 HA THR A 51 5.900 -38.666 26.126 1.00 0.00 H new ATOM 0 HB THR A 51 4.703 -40.610 27.061 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.426 -38.559 28.309 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.838 -42.120 28.654 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.488 -42.281 27.005 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.399 -41.375 28.235 1.00 0.00 H new ATOM 864 N SER A 52 8.012 -38.067 27.401 1.00 0.00 N ATOM 865 CA SER A 52 9.306 -37.604 27.888 1.00 0.00 C ATOM 866 C SER A 52 9.825 -38.496 29.028 1.00 0.00 C ATOM 867 O SER A 52 9.127 -39.406 29.482 1.00 0.00 O ATOM 868 CB SER A 52 9.182 -36.147 28.336 1.00 0.00 C ATOM 869 OG SER A 52 8.689 -35.343 27.276 1.00 0.00 O ATOM 0 H SER A 52 7.247 -37.412 27.563 1.00 0.00 H new ATOM 0 HA SER A 52 10.034 -37.668 27.080 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.513 -36.079 29.194 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.154 -35.776 28.660 1.00 0.00 H new ATOM 0 HG SER A 52 8.822 -34.397 27.494 1.00 0.00 H new ATOM 875 N LYS A 53 11.045 -38.217 29.490 1.00 0.00 N ATOM 876 CA LYS A 53 11.736 -39.079 30.456 1.00 0.00 C ATOM 877 C LYS A 53 10.932 -39.267 31.745 1.00 0.00 C ATOM 878 O LYS A 53 10.724 -40.395 32.192 1.00 0.00 O ATOM 879 CB LYS A 53 13.128 -38.512 30.773 1.00 0.00 C ATOM 880 CG LYS A 53 14.038 -38.409 29.551 1.00 0.00 C ATOM 881 CD LYS A 53 14.208 -39.759 28.856 1.00 0.00 C ATOM 882 CE LYS A 53 15.088 -39.657 27.616 1.00 0.00 C ATOM 883 NZ LYS A 53 16.472 -39.219 27.940 1.00 0.00 N ATOM 0 H LYS A 53 11.580 -37.395 29.209 1.00 0.00 H new ATOM 0 HA LYS A 53 11.842 -40.062 29.996 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.016 -37.523 31.217 1.00 0.00 H new ATOM 0 HB3 LYS A 53 13.607 -39.144 31.520 1.00 0.00 H new ATOM 0 HG2 LYS A 53 13.622 -37.688 28.848 1.00 0.00 H new ATOM 0 HG3 LYS A 53 15.014 -38.031 29.855 1.00 0.00 H new ATOM 0 HD2 LYS A 53 14.646 -40.473 29.553 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.229 -40.148 28.575 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.123 -40.626 27.118 1.00 0.00 H new ATOM 0 HE3 LYS A 53 14.642 -38.953 26.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.072 -39.310 27.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 16.458 -38.226 28.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.855 -39.814 28.702 1.00 0.00 H new ATOM 897 N ASN A 54 10.475 -38.165 32.334 1.00 0.00 N ATOM 898 CA ASN A 54 9.702 -38.228 33.578 1.00 0.00 C ATOM 899 C ASN A 54 8.219 -38.449 33.287 1.00 0.00 C ATOM 900 O ASN A 54 7.385 -38.383 34.192 1.00 0.00 O ATOM 901 CB ASN A 54 9.896 -36.950 34.415 1.00 0.00 C ATOM 902 CG ASN A 54 11.287 -36.842 35.021 1.00 0.00 C ATOM 903 OD1 ASN A 54 12.268 -37.331 34.457 1.00 0.00 O ATOM 904 ND2 ASN A 54 11.382 -36.202 36.179 1.00 0.00 N ATOM 0 H ASN A 54 10.624 -37.222 31.975 1.00 0.00 H new ATOM 0 HA ASN A 54 10.072 -39.076 34.155 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.711 -36.079 33.786 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.155 -36.930 35.214 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.290 -36.101 36.633 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.547 -35.811 36.615 1.00 0.00 H new ATOM 911 N ALA A 55 7.903 -38.712 32.017 1.00 0.00 N ATOM 912 CA ALA A 55 6.532 -38.991 31.584 1.00 0.00 C ATOM 913 C ALA A 55 5.594 -37.820 31.885 1.00 0.00 C ATOM 914 O ALA A 55 4.375 -37.981 31.924 1.00 0.00 O ATOM 915 CB ALA A 55 6.020 -40.279 32.229 1.00 0.00 C ATOM 0 H ALA A 55 8.588 -38.738 31.262 1.00 0.00 H new ATOM 0 HA ALA A 55 6.546 -39.125 30.502 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.000 -40.472 31.897 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.660 -41.112 31.937 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.034 -40.173 33.314 1.00 0.00 H new ATOM 921 N LYS A 56 6.168 -36.637 32.081 1.00 0.00 N ATOM 922 CA LYS A 56 5.381 -35.437 32.351 1.00 0.00 C ATOM 923 C LYS A 56 4.709 -34.948 31.072 1.00 0.00 C ATOM 924 O LYS A 56 3.609 -34.398 31.106 1.00 0.00 O ATOM 925 CB LYS A 56 6.272 -34.333 32.944 1.00 0.00 C ATOM 926 CG LYS A 56 5.563 -32.993 33.156 1.00 0.00 C ATOM 927 CD LYS A 56 4.360 -33.111 34.093 1.00 0.00 C ATOM 928 CE LYS A 56 4.764 -33.515 35.508 1.00 0.00 C ATOM 929 NZ LYS A 56 3.581 -33.695 36.389 1.00 0.00 N ATOM 0 H LYS A 56 7.176 -36.483 32.058 1.00 0.00 H new ATOM 0 HA LYS A 56 4.608 -35.684 33.078 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.667 -34.676 33.900 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.125 -34.178 32.284 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.270 -32.272 33.566 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.233 -32.603 32.193 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.834 -32.157 34.126 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.662 -33.846 33.693 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.335 -34.443 35.472 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.419 -32.753 35.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.896 -33.969 37.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.050 -32.803 36.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.968 -34.439 35.999 1.00 0.00 H new ATOM 943 N PHE A 57 5.371 -35.170 29.944 1.00 0.00 N ATOM 944 CA PHE A 57 4.862 -34.720 28.654 1.00 0.00 C ATOM 945 C PHE A 57 4.493 -35.920 27.791 1.00 0.00 C ATOM 946 O PHE A 57 5.309 -36.823 27.585 1.00 0.00 O ATOM 947 CB PHE A 57 5.910 -33.859 27.936 1.00 0.00 C ATOM 948 CG PHE A 57 6.394 -32.689 28.757 1.00 0.00 C ATOM 949 CD1 PHE A 57 5.619 -31.546 28.883 1.00 0.00 C ATOM 950 CD2 PHE A 57 7.620 -32.736 29.409 1.00 0.00 C ATOM 951 CE1 PHE A 57 6.057 -30.474 29.638 1.00 0.00 C ATOM 952 CE2 PHE A 57 8.060 -31.668 30.165 1.00 0.00 C ATOM 953 CZ PHE A 57 7.278 -30.537 30.280 1.00 0.00 C ATOM 0 H PHE A 57 6.264 -35.660 29.896 1.00 0.00 H new ATOM 0 HA PHE A 57 3.971 -34.116 28.823 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.763 -34.484 27.671 1.00 0.00 H new ATOM 0 HB3 PHE A 57 5.486 -33.487 27.003 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.662 -31.493 28.385 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.236 -33.619 29.323 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.445 -29.588 29.726 1.00 0.00 H new ATOM 0 HE2 PHE A 57 9.015 -31.718 30.666 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.621 -29.701 30.872 1.00 0.00 H new ATOM 963 N TYR A 58 3.253 -35.934 27.317 1.00 0.00 N ATOM 964 CA TYR A 58 2.761 -36.987 26.438 1.00 0.00 C ATOM 965 C TYR A 58 2.473 -36.408 25.056 1.00 0.00 C ATOM 966 O TYR A 58 1.673 -35.478 24.918 1.00 0.00 O ATOM 967 CB TYR A 58 1.483 -37.617 27.011 1.00 0.00 C ATOM 968 CG TYR A 58 1.643 -38.225 28.395 1.00 0.00 C ATOM 969 CD1 TYR A 58 2.120 -39.521 28.561 1.00 0.00 C ATOM 970 CD2 TYR A 58 1.296 -37.506 29.534 1.00 0.00 C ATOM 971 CE1 TYR A 58 2.245 -40.082 29.820 1.00 0.00 C ATOM 972 CE2 TYR A 58 1.421 -38.057 30.793 1.00 0.00 C ATOM 973 CZ TYR A 58 1.893 -39.346 30.933 1.00 0.00 C ATOM 974 OH TYR A 58 2.008 -39.899 32.193 1.00 0.00 O ATOM 0 H TYR A 58 2.561 -35.216 27.531 1.00 0.00 H new ATOM 0 HA TYR A 58 3.525 -37.760 26.359 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.704 -36.855 27.051 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.137 -38.391 26.326 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.398 -40.100 27.692 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.922 -36.498 29.431 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.616 -41.090 29.931 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.150 -37.481 31.666 1.00 0.00 H new ATOM 0 HH TYR A 58 2.799 -39.532 32.640 1.00 0.00 H new ATOM 984 N SER A 59 3.136 -36.945 24.042 1.00 0.00 N ATOM 985 CA SER A 59 2.935 -36.502 22.670 1.00 0.00 C ATOM 986 C SER A 59 1.862 -37.348 21.979 1.00 0.00 C ATOM 987 O SER A 59 1.989 -38.570 21.883 1.00 0.00 O ATOM 988 CB SER A 59 4.251 -36.591 21.893 1.00 0.00 C ATOM 989 OG SER A 59 5.231 -35.706 22.419 1.00 0.00 O ATOM 0 H SER A 59 3.822 -37.693 24.145 1.00 0.00 H new ATOM 0 HA SER A 59 2.599 -35.465 22.689 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.627 -37.614 21.929 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.072 -36.354 20.844 1.00 0.00 H new ATOM 0 HG SER A 59 6.010 -36.220 22.717 1.00 0.00 H new ATOM 995 N PHE A 60 0.806 -36.690 21.513 1.00 0.00 N ATOM 996 CA PHE A 60 -0.261 -37.352 20.768 1.00 0.00 C ATOM 997 C PHE A 60 -0.222 -36.954 19.294 1.00 0.00 C ATOM 998 O PHE A 60 0.391 -35.950 18.920 1.00 0.00 O ATOM 999 CB PHE A 60 -1.633 -37.011 21.366 1.00 0.00 C ATOM 1000 CG PHE A 60 -1.882 -37.652 22.710 1.00 0.00 C ATOM 1001 CD1 PHE A 60 -2.321 -38.968 22.792 1.00 0.00 C ATOM 1002 CD2 PHE A 60 -1.677 -36.946 23.887 1.00 0.00 C ATOM 1003 CE1 PHE A 60 -2.551 -39.563 24.017 1.00 0.00 C ATOM 1004 CE2 PHE A 60 -1.907 -37.538 25.114 1.00 0.00 C ATOM 1005 CZ PHE A 60 -2.344 -38.848 25.179 1.00 0.00 C ATOM 0 H PHE A 60 0.665 -35.688 21.640 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.103 -38.428 20.843 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.717 -35.929 21.468 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.412 -37.328 20.672 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.484 -39.533 21.886 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.334 -35.923 23.843 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.892 -40.586 24.065 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.745 -36.977 26.023 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.523 -39.311 26.138 1.00 0.00 H new ATOM 1015 N ASN A 61 -0.891 -37.752 18.473 1.00 0.00 N ATOM 1016 CA ASN A 61 -0.952 -37.540 17.032 1.00 0.00 C ATOM 1017 C ASN A 61 -2.380 -37.220 16.625 1.00 0.00 C ATOM 1018 O ASN A 61 -3.288 -38.012 16.885 1.00 0.00 O ATOM 1019 CB ASN A 61 -0.498 -38.804 16.284 1.00 0.00 C ATOM 1020 CG ASN A 61 -0.482 -38.621 14.772 1.00 0.00 C ATOM 1021 OD1 ASN A 61 0.566 -38.381 14.177 1.00 0.00 O ATOM 1022 ND2 ASN A 61 -1.646 -38.716 14.141 1.00 0.00 N ATOM 0 H ASN A 61 -1.411 -38.571 18.790 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.292 -36.711 16.776 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.500 -39.082 16.622 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.162 -39.630 16.539 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.690 -38.588 13.130 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.496 -38.917 14.667 1.00 0.00 H new ATOM 1029 N VAL A 62 -2.580 -36.072 15.995 1.00 0.00 N ATOM 1030 CA VAL A 62 -3.887 -35.709 15.460 1.00 0.00 C ATOM 1031 C VAL A 62 -3.779 -35.502 13.955 1.00 0.00 C ATOM 1032 O VAL A 62 -3.047 -34.634 13.497 1.00 0.00 O ATOM 1033 CB VAL A 62 -4.441 -34.419 16.122 1.00 0.00 C ATOM 1034 CG1 VAL A 62 -5.790 -34.026 15.516 1.00 0.00 C ATOM 1035 CG2 VAL A 62 -4.559 -34.599 17.636 1.00 0.00 C ATOM 0 H VAL A 62 -1.853 -35.373 15.841 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.578 -36.522 15.681 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.737 -33.610 15.926 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.155 -33.119 15.998 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.670 -33.846 14.448 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.507 -34.833 15.670 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.949 -33.684 18.082 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.236 -35.425 17.852 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.576 -34.816 18.054 1.00 0.00 H new ATOM 1045 N SER A 63 -4.499 -36.308 13.190 1.00 0.00 N ATOM 1046 CA SER A 63 -4.503 -36.187 11.738 1.00 0.00 C ATOM 1047 C SER A 63 -5.943 -36.147 11.234 1.00 0.00 C ATOM 1048 O SER A 63 -6.642 -37.158 11.272 1.00 0.00 O ATOM 1049 CB SER A 63 -3.743 -37.363 11.110 1.00 0.00 C ATOM 1050 OG SER A 63 -2.447 -37.502 11.679 1.00 0.00 O ATOM 0 H SER A 63 -5.091 -37.056 13.551 1.00 0.00 H new ATOM 0 HA SER A 63 -4.003 -35.263 11.449 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.308 -38.284 11.256 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.656 -37.210 10.034 1.00 0.00 H new ATOM 0 HG SER A 63 -2.027 -36.620 11.755 1.00 0.00 H new ATOM 1056 N MET A 64 -6.391 -34.979 10.781 1.00 0.00 N ATOM 1057 CA MET A 64 -7.785 -34.795 10.377 1.00 0.00 C ATOM 1058 C MET A 64 -7.872 -34.002 9.077 1.00 0.00 C ATOM 1059 O MET A 64 -7.000 -33.182 8.782 1.00 0.00 O ATOM 1060 CB MET A 64 -8.571 -34.083 11.489 1.00 0.00 C ATOM 1061 CG MET A 64 -8.100 -32.659 11.768 1.00 0.00 C ATOM 1062 SD MET A 64 -8.916 -31.920 13.198 1.00 0.00 S ATOM 1063 CE MET A 64 -10.642 -32.078 12.746 1.00 0.00 C ATOM 0 H MET A 64 -5.811 -34.146 10.684 1.00 0.00 H new ATOM 0 HA MET A 64 -8.225 -35.778 10.208 1.00 0.00 H new ATOM 0 HB2 MET A 64 -9.626 -34.059 11.216 1.00 0.00 H new ATOM 0 HB3 MET A 64 -8.493 -34.667 12.406 1.00 0.00 H new ATOM 0 HG2 MET A 64 -7.022 -32.663 11.932 1.00 0.00 H new ATOM 0 HG3 MET A 64 -8.286 -32.041 10.890 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.266 -31.711 13.561 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.838 -31.493 11.847 1.00 0.00 H new ATOM 0 HE3 MET A 64 -10.874 -33.126 12.555 1.00 0.00 H new ATOM 1073 N GLU A 65 -8.920 -34.261 8.302 1.00 0.00 N ATOM 1074 CA GLU A 65 -9.122 -33.583 7.024 1.00 0.00 C ATOM 1075 C GLU A 65 -9.353 -32.087 7.225 1.00 0.00 C ATOM 1076 O GLU A 65 -10.220 -31.684 8.001 1.00 0.00 O ATOM 1077 CB GLU A 65 -10.315 -34.190 6.274 1.00 0.00 C ATOM 1078 CG GLU A 65 -10.153 -35.669 5.950 1.00 0.00 C ATOM 1079 CD GLU A 65 -11.307 -36.213 5.126 1.00 0.00 C ATOM 1080 OE1 GLU A 65 -12.313 -36.654 5.717 1.00 0.00 O ATOM 1081 OE2 GLU A 65 -11.215 -36.200 3.881 1.00 0.00 O ATOM 0 H GLU A 65 -9.646 -34.938 8.537 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.217 -33.720 6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.215 -34.056 6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.466 -33.639 5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.220 -35.819 5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.075 -36.235 6.878 1.00 0.00 H new ATOM 1088 N VAL A 66 -8.561 -31.270 6.538 1.00 0.00 N ATOM 1089 CA VAL A 66 -8.762 -29.825 6.524 1.00 0.00 C ATOM 1090 C VAL A 66 -9.153 -29.373 5.118 1.00 0.00 C ATOM 1091 O VAL A 66 -8.520 -29.761 4.135 1.00 0.00 O ATOM 1092 CB VAL A 66 -7.500 -29.054 6.996 1.00 0.00 C ATOM 1093 CG1 VAL A 66 -7.196 -29.366 8.461 1.00 0.00 C ATOM 1094 CG2 VAL A 66 -6.293 -29.377 6.113 1.00 0.00 C ATOM 0 H VAL A 66 -7.768 -31.587 5.980 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.565 -29.596 7.225 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.705 -27.987 6.906 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.308 -28.816 8.773 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.043 -29.069 9.080 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.020 -30.435 8.576 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.424 -28.823 6.468 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.085 -30.446 6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.509 -29.093 5.083 1.00 0.00 H new ATOM 1104 N SER A 67 -10.212 -28.578 5.030 1.00 0.00 N ATOM 1105 CA SER A 67 -10.725 -28.105 3.748 1.00 0.00 C ATOM 1106 C SER A 67 -9.824 -27.008 3.189 1.00 0.00 C ATOM 1107 O SER A 67 -9.706 -26.847 1.973 1.00 0.00 O ATOM 1108 CB SER A 67 -12.158 -27.587 3.915 1.00 0.00 C ATOM 1109 OG SER A 67 -12.965 -28.532 4.604 1.00 0.00 O ATOM 0 H SER A 67 -10.737 -28.244 5.838 1.00 0.00 H new ATOM 0 HA SER A 67 -10.733 -28.937 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.146 -26.645 4.464 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.590 -27.380 2.936 1.00 0.00 H new ATOM 0 HG SER A 67 -12.797 -28.465 5.567 1.00 0.00 H new ATOM 1115 N ASN A 68 -9.197 -26.258 4.095 1.00 0.00 N ATOM 1116 CA ASN A 68 -8.255 -25.204 3.729 1.00 0.00 C ATOM 1117 C ASN A 68 -7.543 -24.685 4.978 1.00 0.00 C ATOM 1118 O ASN A 68 -7.797 -25.162 6.091 1.00 0.00 O ATOM 1119 CB ASN A 68 -8.959 -24.048 2.999 1.00 0.00 C ATOM 1120 CG ASN A 68 -9.987 -23.339 3.863 1.00 0.00 C ATOM 1121 OD1 ASN A 68 -9.661 -22.401 4.583 1.00 0.00 O ATOM 1122 ND2 ASN A 68 -11.233 -23.774 3.788 1.00 0.00 N ATOM 0 H ASN A 68 -9.328 -26.365 5.101 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.521 -25.630 3.045 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.212 -23.327 2.667 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -9.448 -24.435 2.105 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.964 -23.326 4.341 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.464 -24.557 3.177 1.00 0.00 H new ATOM 1129 N GLU A 69 -6.675 -23.694 4.790 1.00 0.00 N ATOM 1130 CA GLU A 69 -5.827 -23.180 5.868 1.00 0.00 C ATOM 1131 C GLU A 69 -6.652 -22.592 7.019 1.00 0.00 C ATOM 1132 O GLU A 69 -6.229 -22.639 8.177 1.00 0.00 O ATOM 1133 CB GLU A 69 -4.851 -22.121 5.332 1.00 0.00 C ATOM 1134 CG GLU A 69 -3.847 -21.635 6.374 1.00 0.00 C ATOM 1135 CD GLU A 69 -2.932 -20.538 5.856 1.00 0.00 C ATOM 1136 OE1 GLU A 69 -1.860 -20.858 5.304 1.00 0.00 O ATOM 1137 OE2 GLU A 69 -3.279 -19.346 6.007 1.00 0.00 O ATOM 0 H GLU A 69 -6.538 -23.226 3.894 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.262 -24.026 6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.309 -22.535 4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.420 -21.268 4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.387 -21.267 7.246 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.241 -22.478 6.707 1.00 0.00 H new ATOM 1144 N SER A 70 -7.823 -22.046 6.710 1.00 0.00 N ATOM 1145 CA SER A 70 -8.671 -21.435 7.732 1.00 0.00 C ATOM 1146 C SER A 70 -9.002 -22.441 8.836 1.00 0.00 C ATOM 1147 O SER A 70 -9.012 -22.096 10.021 1.00 0.00 O ATOM 1148 CB SER A 70 -9.953 -20.886 7.105 1.00 0.00 C ATOM 1149 OG SER A 70 -9.649 -19.983 6.053 1.00 0.00 O ATOM 0 H SER A 70 -8.207 -22.013 5.766 1.00 0.00 H new ATOM 0 HA SER A 70 -8.122 -20.607 8.180 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.558 -21.708 6.722 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.548 -20.380 7.865 1.00 0.00 H new ATOM 0 HG SER A 70 -9.549 -20.480 5.214 1.00 0.00 H new ATOM 1155 N GLU A 71 -9.243 -23.693 8.449 1.00 0.00 N ATOM 1156 CA GLU A 71 -9.533 -24.741 9.421 1.00 0.00 C ATOM 1157 C GLU A 71 -8.251 -25.188 10.115 1.00 0.00 C ATOM 1158 O GLU A 71 -8.274 -25.568 11.280 1.00 0.00 O ATOM 1159 CB GLU A 71 -10.243 -25.930 8.762 1.00 0.00 C ATOM 1160 CG GLU A 71 -11.561 -25.548 8.097 1.00 0.00 C ATOM 1161 CD GLU A 71 -12.406 -26.752 7.715 1.00 0.00 C ATOM 1162 OE1 GLU A 71 -11.856 -27.709 7.139 1.00 0.00 O ATOM 1163 OE2 GLU A 71 -13.623 -26.752 7.998 1.00 0.00 O ATOM 0 H GLU A 71 -9.243 -24.003 7.477 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.209 -24.331 10.172 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.582 -26.372 8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.432 -26.695 9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.131 -24.911 8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.353 -24.959 7.204 1.00 0.00 H new ATOM 1170 N ARG A 72 -7.130 -25.120 9.397 1.00 0.00 N ATOM 1171 CA ARG A 72 -5.820 -25.401 9.990 1.00 0.00 C ATOM 1172 C ARG A 72 -5.602 -24.469 11.180 1.00 0.00 C ATOM 1173 O ARG A 72 -5.132 -24.886 12.238 1.00 0.00 O ATOM 1174 CB ARG A 72 -4.709 -25.226 8.928 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.273 -25.519 9.401 1.00 0.00 C ATOM 1176 CD ARG A 72 -2.645 -24.349 10.168 1.00 0.00 C ATOM 1177 NE ARG A 72 -1.192 -24.501 10.317 1.00 0.00 N ATOM 1178 CZ ARG A 72 -0.439 -23.825 11.193 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -0.991 -22.975 12.054 1.00 0.00 N ATOM 1180 NH2 ARG A 72 0.875 -24.005 11.201 1.00 0.00 N ATOM 0 H ARG A 72 -7.101 -24.874 8.408 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.783 -26.432 10.342 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.933 -25.879 8.085 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.747 -24.202 8.557 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.280 -26.403 10.039 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.652 -25.755 8.536 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.860 -23.417 9.645 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.104 -24.275 11.154 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.722 -25.171 9.708 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.001 -22.831 12.052 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.405 -22.467 12.716 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.305 -24.655 10.543 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.456 -23.494 11.865 1.00 0.00 H new ATOM 1194 N ASN A 73 -5.974 -23.204 10.993 1.00 0.00 N ATOM 1195 CA ASN A 73 -5.857 -22.196 12.041 1.00 0.00 C ATOM 1196 C ASN A 73 -6.871 -22.445 13.149 1.00 0.00 C ATOM 1197 O ASN A 73 -6.537 -22.394 14.333 1.00 0.00 O ATOM 1198 CB ASN A 73 -6.053 -20.785 11.466 1.00 0.00 C ATOM 1199 CG ASN A 73 -4.857 -20.305 10.662 1.00 0.00 C ATOM 1200 OD1 ASN A 73 -3.928 -19.717 11.211 1.00 0.00 O ATOM 1201 ND2 ASN A 73 -4.871 -20.540 9.361 1.00 0.00 N ATOM 0 H ASN A 73 -6.362 -22.852 10.118 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.853 -22.269 12.460 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.939 -20.776 10.831 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.239 -20.088 12.283 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.093 -20.230 8.778 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.660 -21.031 8.940 1.00 0.00 H new ATOM 1208 N GLU A 74 -8.112 -22.714 12.760 1.00 0.00 N ATOM 1209 CA GLU A 74 -9.190 -22.911 13.724 1.00 0.00 C ATOM 1210 C GLU A 74 -8.900 -24.103 14.636 1.00 0.00 C ATOM 1211 O GLU A 74 -8.874 -23.965 15.860 1.00 0.00 O ATOM 1212 CB GLU A 74 -10.530 -23.108 13.006 1.00 0.00 C ATOM 1213 CG GLU A 74 -11.692 -23.357 13.961 1.00 0.00 C ATOM 1214 CD GLU A 74 -13.042 -23.387 13.270 1.00 0.00 C ATOM 1215 OE1 GLU A 74 -13.322 -22.473 12.469 1.00 0.00 O ATOM 1216 OE2 GLU A 74 -13.839 -24.303 13.561 1.00 0.00 O ATOM 0 H GLU A 74 -8.397 -22.801 11.785 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.253 -22.015 14.341 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.746 -22.225 12.404 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.446 -23.950 12.319 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.534 -24.305 14.475 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.699 -22.578 14.724 1.00 0.00 H new ATOM 1223 N ILE A 75 -8.670 -25.261 14.028 1.00 0.00 N ATOM 1224 CA ILE A 75 -8.410 -26.494 14.767 1.00 0.00 C ATOM 1225 C ILE A 75 -7.193 -26.326 15.678 1.00 0.00 C ATOM 1226 O ILE A 75 -7.204 -26.758 16.831 1.00 0.00 O ATOM 1227 CB ILE A 75 -8.199 -27.682 13.794 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -9.450 -27.853 12.909 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -7.891 -28.969 14.566 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -9.260 -28.787 11.733 1.00 0.00 C ATOM 0 H ILE A 75 -8.658 -25.373 13.014 1.00 0.00 H new ATOM 0 HA ILE A 75 -9.280 -26.710 15.388 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.342 -27.470 13.154 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.268 -28.226 13.525 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.753 -26.875 12.535 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.747 -29.789 13.863 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.984 -28.832 15.155 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.723 -29.203 15.230 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.188 -28.850 11.164 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.466 -28.406 11.091 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.989 -29.779 12.096 1.00 0.00 H new ATOM 1242 N PHE A 76 -6.161 -25.665 15.155 1.00 0.00 N ATOM 1243 CA PHE A 76 -4.961 -25.348 15.931 1.00 0.00 C ATOM 1244 C PHE A 76 -5.338 -24.614 17.222 1.00 0.00 C ATOM 1245 O PHE A 76 -4.847 -24.936 18.307 1.00 0.00 O ATOM 1246 CB PHE A 76 -4.012 -24.487 15.082 1.00 0.00 C ATOM 1247 CG PHE A 76 -2.767 -24.024 15.801 1.00 0.00 C ATOM 1248 CD1 PHE A 76 -1.678 -24.870 15.949 1.00 0.00 C ATOM 1249 CD2 PHE A 76 -2.684 -22.737 16.320 1.00 0.00 C ATOM 1250 CE1 PHE A 76 -0.535 -24.444 16.598 1.00 0.00 C ATOM 1251 CE2 PHE A 76 -1.543 -22.308 16.969 1.00 0.00 C ATOM 1252 CZ PHE A 76 -0.467 -23.161 17.108 1.00 0.00 C ATOM 0 H PHE A 76 -6.132 -25.336 14.190 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.456 -26.275 16.201 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.716 -25.057 14.201 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.557 -23.612 14.727 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.724 -25.873 15.552 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.522 -22.064 16.214 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.305 -25.114 16.707 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.493 -21.305 17.368 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.426 -22.827 17.614 1.00 0.00 H new ATOM 1262 N GLN A 77 -6.232 -23.640 17.089 1.00 0.00 N ATOM 1263 CA GLN A 77 -6.694 -22.844 18.223 1.00 0.00 C ATOM 1264 C GLN A 77 -7.550 -23.685 19.168 1.00 0.00 C ATOM 1265 O GLN A 77 -7.453 -23.549 20.390 1.00 0.00 O ATOM 1266 CB GLN A 77 -7.496 -21.641 17.723 1.00 0.00 C ATOM 1267 CG GLN A 77 -6.672 -20.650 16.910 1.00 0.00 C ATOM 1268 CD GLN A 77 -7.514 -19.530 16.326 1.00 0.00 C ATOM 1269 OE1 GLN A 77 -7.710 -18.489 16.953 1.00 0.00 O ATOM 1270 NE2 GLN A 77 -8.019 -19.738 15.119 1.00 0.00 N ATOM 0 H GLN A 77 -6.655 -23.380 16.198 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.821 -22.493 18.773 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.326 -21.997 17.112 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.929 -21.124 18.579 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.895 -20.223 17.544 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -6.168 -21.180 16.102 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.833 -20.615 14.632 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -8.594 -19.021 14.676 1.00 0.00 H new ATOM 1279 N LYS A 78 -8.385 -24.553 18.596 1.00 0.00 N ATOM 1280 CA LYS A 78 -9.251 -25.431 19.381 1.00 0.00 C ATOM 1281 C LYS A 78 -8.409 -26.321 20.292 1.00 0.00 C ATOM 1282 O LYS A 78 -8.721 -26.501 21.472 1.00 0.00 O ATOM 1283 CB LYS A 78 -10.113 -26.303 18.456 1.00 0.00 C ATOM 1284 CG LYS A 78 -11.044 -25.520 17.537 1.00 0.00 C ATOM 1285 CD LYS A 78 -12.128 -24.778 18.313 1.00 0.00 C ATOM 1286 CE LYS A 78 -12.982 -23.910 17.396 1.00 0.00 C ATOM 1287 NZ LYS A 78 -13.715 -24.707 16.374 1.00 0.00 N ATOM 0 H LYS A 78 -8.479 -24.666 17.587 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.907 -24.811 19.992 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.456 -26.922 17.845 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.711 -26.979 19.068 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.462 -24.805 16.956 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.510 -26.203 16.827 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.764 -25.498 18.829 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.666 -24.154 19.078 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.698 -23.349 17.996 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.345 -23.181 16.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.199 -24.065 15.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.042 -25.301 15.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.417 -25.313 16.844 1.00 0.00 H new ATOM 1301 N ILE A 79 -7.325 -26.850 19.731 1.00 0.00 N ATOM 1302 CA ILE A 79 -6.411 -27.730 20.464 1.00 0.00 C ATOM 1303 C ILE A 79 -5.780 -26.991 21.643 1.00 0.00 C ATOM 1304 O ILE A 79 -5.452 -27.583 22.668 1.00 0.00 O ATOM 1305 CB ILE A 79 -5.294 -28.281 19.535 1.00 0.00 C ATOM 1306 CG1 ILE A 79 -5.907 -29.126 18.404 1.00 0.00 C ATOM 1307 CG2 ILE A 79 -4.272 -29.100 20.329 1.00 0.00 C ATOM 1308 CD1 ILE A 79 -4.894 -29.649 17.405 1.00 0.00 C ATOM 0 H ILE A 79 -7.054 -26.684 18.762 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.996 -28.570 20.840 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.771 -27.434 19.092 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.438 -29.971 18.843 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.646 -28.524 17.875 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.502 -29.473 19.654 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.813 -28.469 21.090 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.773 -29.941 20.808 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.405 -30.234 16.641 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.379 -28.811 16.936 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.168 -30.279 17.919 1.00 0.00 H new ATOM 1320 N SER A 80 -5.623 -25.687 21.495 1.00 0.00 N ATOM 1321 CA SER A 80 -5.008 -24.867 22.527 1.00 0.00 C ATOM 1322 C SER A 80 -5.999 -24.552 23.654 1.00 0.00 C ATOM 1323 O SER A 80 -5.601 -24.071 24.718 1.00 0.00 O ATOM 1324 CB SER A 80 -4.479 -23.578 21.896 1.00 0.00 C ATOM 1325 OG SER A 80 -3.870 -22.724 22.855 1.00 0.00 O ATOM 0 H SER A 80 -5.914 -25.170 20.665 1.00 0.00 H new ATOM 0 HA SER A 80 -4.181 -25.421 22.970 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.755 -23.826 21.120 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.299 -23.050 21.410 1.00 0.00 H new ATOM 0 HG SER A 80 -4.282 -22.870 23.732 1.00 0.00 H new ATOM 1331 N GLN A 81 -7.281 -24.836 23.426 1.00 0.00 N ATOM 1332 CA GLN A 81 -8.329 -24.542 24.409 1.00 0.00 C ATOM 1333 C GLN A 81 -8.392 -25.614 25.494 1.00 0.00 C ATOM 1334 O GLN A 81 -9.140 -25.487 26.464 1.00 0.00 O ATOM 1335 CB GLN A 81 -9.692 -24.413 23.719 1.00 0.00 C ATOM 1336 CG GLN A 81 -9.764 -23.263 22.722 1.00 0.00 C ATOM 1337 CD GLN A 81 -11.131 -23.122 22.075 1.00 0.00 C ATOM 1338 OE1 GLN A 81 -11.554 -22.018 21.739 1.00 0.00 O ATOM 1339 NE2 GLN A 81 -11.827 -24.233 21.885 1.00 0.00 N ATOM 0 H GLN A 81 -7.622 -25.270 22.568 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.079 -23.593 24.884 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.918 -25.346 23.202 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.462 -24.274 24.478 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.511 -22.333 23.230 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.015 -23.416 21.945 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.443 -25.132 22.177 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.747 -24.190 21.446 1.00 0.00 H new ATOM 1348 N LEU A 82 -7.605 -26.670 25.326 1.00 0.00 N ATOM 1349 CA LEU A 82 -7.567 -27.755 26.302 1.00 0.00 C ATOM 1350 C LEU A 82 -6.846 -27.298 27.567 1.00 0.00 C ATOM 1351 O LEU A 82 -7.225 -27.675 28.677 1.00 0.00 O ATOM 1352 CB LEU A 82 -6.853 -28.982 25.714 1.00 0.00 C ATOM 1353 CG LEU A 82 -7.235 -29.327 24.268 1.00 0.00 C ATOM 1354 CD1 LEU A 82 -6.319 -30.408 23.707 1.00 0.00 C ATOM 1355 CD2 LEU A 82 -8.696 -29.745 24.177 1.00 0.00 C ATOM 0 H LEU A 82 -6.986 -26.799 24.526 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.592 -28.030 26.552 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.777 -28.813 25.759 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.067 -29.844 26.345 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.105 -28.431 23.661 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.610 -30.635 22.681 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.288 -30.055 23.722 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.403 -31.308 24.316 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.942 -29.984 23.142 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.863 -30.622 24.802 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.330 -28.928 24.521 1.00 0.00 H new ATOM 1367 N ASP A 83 -5.794 -26.491 27.371 1.00 0.00 N ATOM 1368 CA ASP A 83 -4.910 -26.016 28.453 1.00 0.00 C ATOM 1369 C ASP A 83 -4.001 -27.138 28.964 1.00 0.00 C ATOM 1370 O ASP A 83 -2.859 -26.896 29.357 1.00 0.00 O ATOM 1371 CB ASP A 83 -5.701 -25.397 29.615 1.00 0.00 C ATOM 1372 CG ASP A 83 -4.796 -24.938 30.750 1.00 0.00 C ATOM 1373 OD1 ASP A 83 -4.064 -23.942 30.568 1.00 0.00 O ATOM 1374 OD2 ASP A 83 -4.818 -25.568 31.831 1.00 0.00 O ATOM 0 H ASP A 83 -5.527 -26.144 26.449 1.00 0.00 H new ATOM 0 HA ASP A 83 -4.284 -25.233 28.024 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.278 -24.548 29.248 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.415 -26.127 29.995 1.00 0.00 H new ATOM 1379 N LYS A 84 -4.515 -28.364 28.946 1.00 0.00 N ATOM 1380 CA LYS A 84 -3.738 -29.551 29.302 1.00 0.00 C ATOM 1381 C LYS A 84 -2.537 -29.682 28.362 1.00 0.00 C ATOM 1382 O LYS A 84 -1.545 -30.342 28.677 1.00 0.00 O ATOM 1383 CB LYS A 84 -4.626 -30.804 29.201 1.00 0.00 C ATOM 1384 CG LYS A 84 -6.013 -30.623 29.820 1.00 0.00 C ATOM 1385 CD LYS A 84 -6.938 -31.805 29.527 1.00 0.00 C ATOM 1386 CE LYS A 84 -6.827 -32.908 30.575 1.00 0.00 C ATOM 1387 NZ LYS A 84 -7.265 -32.445 31.918 1.00 0.00 N ATOM 0 H LYS A 84 -5.480 -28.565 28.685 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.379 -29.453 30.326 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.738 -31.076 28.151 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.123 -31.636 29.694 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.914 -30.501 30.899 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.463 -29.708 29.435 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.969 -31.453 29.482 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.698 -32.215 28.546 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.433 -33.761 30.270 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.795 -33.254 30.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.579 -33.261 32.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.471 -31.977 32.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.052 -31.773 31.814 1.00 0.00 H new ATOM 1401 N VAL A 85 -2.655 -29.041 27.199 1.00 0.00 N ATOM 1402 CA VAL A 85 -1.600 -29.028 26.194 1.00 0.00 C ATOM 1403 C VAL A 85 -0.573 -27.934 26.500 1.00 0.00 C ATOM 1404 O VAL A 85 -0.929 -26.777 26.741 1.00 0.00 O ATOM 1405 CB VAL A 85 -2.192 -28.823 24.773 1.00 0.00 C ATOM 1406 CG1 VAL A 85 -2.967 -27.508 24.679 1.00 0.00 C ATOM 1407 CG2 VAL A 85 -1.098 -28.891 23.710 1.00 0.00 C ATOM 0 H VAL A 85 -3.487 -28.516 26.930 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.098 -29.995 26.223 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.894 -29.635 24.586 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.369 -27.394 23.672 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.786 -27.516 25.398 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.299 -26.675 24.900 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.539 -28.744 22.724 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.360 -28.111 23.897 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.613 -29.866 23.749 1.00 0.00 H new ATOM 1417 N VAL A 86 0.702 -28.309 26.506 1.00 0.00 N ATOM 1418 CA VAL A 86 1.781 -27.368 26.794 1.00 0.00 C ATOM 1419 C VAL A 86 2.455 -26.889 25.510 1.00 0.00 C ATOM 1420 O VAL A 86 3.182 -25.893 25.518 1.00 0.00 O ATOM 1421 CB VAL A 86 2.845 -27.992 27.730 1.00 0.00 C ATOM 1422 CG1 VAL A 86 2.231 -28.344 29.082 1.00 0.00 C ATOM 1423 CG2 VAL A 86 3.484 -29.220 27.084 1.00 0.00 C ATOM 0 H VAL A 86 1.015 -29.261 26.314 1.00 0.00 H new ATOM 0 HA VAL A 86 1.328 -26.515 27.298 1.00 0.00 H new ATOM 0 HB VAL A 86 3.630 -27.254 27.895 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.994 -28.781 29.726 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.837 -27.441 29.549 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.423 -29.061 28.939 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.228 -29.641 27.760 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.715 -29.966 26.881 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.965 -28.931 26.150 1.00 0.00 H new ATOM 1433 N GLN A 87 2.219 -27.596 24.409 1.00 0.00 N ATOM 1434 CA GLN A 87 2.811 -27.229 23.127 1.00 0.00 C ATOM 1435 C GLN A 87 1.921 -27.684 21.972 1.00 0.00 C ATOM 1436 O GLN A 87 1.522 -28.849 21.900 1.00 0.00 O ATOM 1437 CB GLN A 87 4.220 -27.831 23.001 1.00 0.00 C ATOM 1438 CG GLN A 87 4.980 -27.375 21.760 1.00 0.00 C ATOM 1439 CD GLN A 87 5.055 -25.863 21.635 1.00 0.00 C ATOM 1440 OE1 GLN A 87 4.197 -25.237 21.010 1.00 0.00 O ATOM 1441 NE2 GLN A 87 6.070 -25.264 22.237 1.00 0.00 N ATOM 0 H GLN A 87 1.624 -28.424 24.379 1.00 0.00 H new ATOM 0 HA GLN A 87 2.894 -26.143 23.080 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.798 -27.566 23.886 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.140 -28.918 22.987 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.990 -27.783 21.789 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.496 -27.784 20.873 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.760 -25.817 22.745 1.00 0.00 H new ATOM 0 HE22 GLN A 87 6.162 -24.249 22.193 1.00 0.00 H new ATOM 1450 N THR A 88 1.612 -26.747 21.079 1.00 0.00 N ATOM 1451 CA THR A 88 0.732 -26.999 19.942 1.00 0.00 C ATOM 1452 C THR A 88 1.472 -26.762 18.627 1.00 0.00 C ATOM 1453 O THR A 88 1.894 -25.639 18.346 1.00 0.00 O ATOM 1454 CB THR A 88 -0.505 -26.067 19.994 1.00 0.00 C ATOM 1455 OG1 THR A 88 -0.078 -24.700 20.124 1.00 0.00 O ATOM 1456 CG2 THR A 88 -1.426 -26.424 21.155 1.00 0.00 C ATOM 0 H THR A 88 1.965 -25.791 21.124 1.00 0.00 H new ATOM 0 HA THR A 88 0.409 -28.038 19.996 1.00 0.00 H new ATOM 0 HB THR A 88 -1.062 -26.197 19.066 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.713 -24.550 19.565 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.283 -25.750 21.160 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.773 -27.451 21.042 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.882 -26.327 22.094 1.00 0.00 H new ATOM 1464 N LEU A 89 1.647 -27.814 17.832 1.00 0.00 N ATOM 1465 CA LEU A 89 2.274 -27.686 16.518 1.00 0.00 C ATOM 1466 C LEU A 89 1.242 -27.926 15.418 1.00 0.00 C ATOM 1467 O LEU A 89 0.715 -29.031 15.279 1.00 0.00 O ATOM 1468 CB LEU A 89 3.450 -28.666 16.350 1.00 0.00 C ATOM 1469 CG LEU A 89 4.629 -28.491 17.329 1.00 0.00 C ATOM 1470 CD1 LEU A 89 4.268 -28.992 18.726 1.00 0.00 C ATOM 1471 CD2 LEU A 89 5.876 -29.201 16.807 1.00 0.00 C ATOM 0 H LEU A 89 1.364 -28.764 18.073 1.00 0.00 H new ATOM 0 HA LEU A 89 2.666 -26.672 16.438 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.067 -29.681 16.453 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.832 -28.571 15.334 1.00 0.00 H new ATOM 0 HG LEU A 89 4.845 -27.425 17.402 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.119 -28.855 19.393 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.415 -28.429 19.106 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.011 -30.050 18.678 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.695 -29.064 17.513 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.668 -30.265 16.694 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.156 -28.781 15.841 1.00 0.00 H new