USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 590 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 55 GLN : amide:sc= -0.395 K(o=-0.4,f=-1.8) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 50 THR OG1 : rot 135:sc= 0.113 USER MOD Set 2.2: A 70 HIS : no HE2:sc= -2.08 K(o=-2,f=-3.5!) USER MOD Single : A 22 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.6) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -14.1! C(o=-14!,f=-15!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -1.62 USER MOD Single : A 39 THR OG1 : rot 180:sc= -2.91 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 30:sc= 0 USER MOD Single : A 53 THR OG1 : rot 61:sc= -0.345 USER MOD Single : A 56 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.486) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 139:sc= -0.0745 (180deg=-0.174) USER MOD Single : A 61 SER OG : rot 160:sc= -0.136 USER MOD Single : A 62 MET CE :methyl -154:sc= -0.232 (180deg=-1.14) USER MOD Single : A 71 TYR OH : rot 180:sc= 0.0439 USER MOD Single : A 72 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.014) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0907 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.465 X(o=-0.47,f=-0.061) USER MOD Single : A 87 TYR OH : rot 65:sc= -2.67! USER MOD Single : A 88 TYR OH : rot 30:sc= 0 USER MOD Single : A 93 SER OG : rot 125:sc= 1.02 USER MOD Single : A 95 ASN : amide:sc= -2.16 K(o=-2.2,f=-13!) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 106:sc= 1.13 USER MOD Single : A 104 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 105 MET CE :methyl -174:sc= -0.377 (180deg=-0.528) USER MOD Single : A 106 THR OG1 : rot 107:sc= 0.271 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N GLY A 19 -14.634 -12.044 -3.037 1.00 0.00 N ATOM 224 CA GLY A 19 -14.613 -10.697 -3.582 1.00 0.00 C ATOM 225 C GLY A 19 -13.199 -10.114 -3.552 1.00 0.00 C ATOM 226 O GLY A 19 -12.218 -10.857 -3.519 1.00 0.00 O ATOM 0 HA2 GLY A 19 -14.983 -10.710 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.285 -10.059 -3.009 1.00 0.00 H new ATOM 230 N PRO A 20 -13.136 -8.756 -3.563 1.00 0.00 N ATOM 231 CA PRO A 20 -11.858 -8.066 -3.538 1.00 0.00 C ATOM 232 C PRO A 20 -11.235 -8.116 -2.141 1.00 0.00 C ATOM 233 O PRO A 20 -11.865 -8.583 -1.193 1.00 0.00 O ATOM 234 CB PRO A 20 -12.166 -6.650 -3.999 1.00 0.00 C ATOM 235 CG PRO A 20 -13.664 -6.470 -3.821 1.00 0.00 C ATOM 236 CD PRO A 20 -14.276 -7.845 -3.602 1.00 0.00 C ATOM 0 HA PRO A 20 -11.117 -8.531 -4.188 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.612 -5.919 -3.410 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.876 -6.507 -5.040 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.872 -5.820 -2.971 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.099 -5.994 -4.700 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.844 -7.882 -2.673 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.964 -8.105 -4.407 1.00 0.00 H new ATOM 241 N PRO A 21 -9.974 -7.615 -2.055 1.00 0.00 N ATOM 242 CA PRO A 21 -9.259 -7.600 -0.790 1.00 0.00 C ATOM 243 C PRO A 21 -9.795 -6.499 0.128 1.00 0.00 C ATOM 244 O PRO A 21 -10.208 -5.441 -0.341 1.00 0.00 O ATOM 245 CB PRO A 21 -7.799 -7.402 -1.165 1.00 0.00 C ATOM 246 CG PRO A 21 -7.805 -6.851 -2.582 1.00 0.00 C ATOM 247 CD PRO A 21 -9.197 -7.053 -3.157 1.00 0.00 C ATOM 0 HA PRO A 21 -9.389 -8.521 -0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.310 -6.711 -0.479 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.251 -8.343 -1.114 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.543 -5.793 -2.581 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.062 -7.363 -3.193 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.623 -6.111 -3.503 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.178 -7.728 -4.013 1.00 0.00 H new ATOM 252 N GLN A 22 -9.770 -6.788 1.421 1.00 0.00 N ATOM 253 CA GLN A 22 -10.248 -5.837 2.410 1.00 0.00 C ATOM 254 C GLN A 22 -9.805 -4.420 2.040 1.00 0.00 C ATOM 255 O GLN A 22 -10.636 -3.527 1.882 1.00 0.00 O ATOM 256 CB GLN A 22 -9.767 -6.215 3.812 1.00 0.00 C ATOM 257 CG GLN A 22 -10.783 -7.115 4.517 1.00 0.00 C ATOM 258 CD GLN A 22 -10.743 -6.906 6.032 1.00 0.00 C ATOM 259 OE1 GLN A 22 -11.629 -6.317 6.627 1.00 0.00 O ATOM 260 NE2 GLN A 22 -9.667 -7.421 6.620 1.00 0.00 N ATOM 0 H GLN A 22 -9.426 -7.667 1.806 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.338 -5.866 2.417 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.807 -6.727 3.745 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.606 -5.312 4.401 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.784 -6.901 4.143 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.572 -8.159 4.285 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.962 -7.903 6.062 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.547 -7.334 7.629 1.00 0.00 H new ATOM 267 N ILE A 23 -8.496 -4.258 1.914 1.00 0.00 N ATOM 268 CA ILE A 23 -7.933 -2.964 1.567 1.00 0.00 C ATOM 269 C ILE A 23 -6.610 -3.173 0.826 1.00 0.00 C ATOM 270 O ILE A 23 -6.030 -4.256 0.876 1.00 0.00 O ATOM 271 CB ILE A 23 -7.809 -2.082 2.810 1.00 0.00 C ATOM 272 CG1 ILE A 23 -7.963 -0.603 2.451 1.00 0.00 C ATOM 273 CG2 ILE A 23 -6.498 -2.359 3.550 1.00 0.00 C ATOM 274 CD1 ILE A 23 -6.600 0.090 2.383 1.00 0.00 C ATOM 0 H ILE A 23 -7.809 -5.001 2.046 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.598 -2.427 0.890 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.623 -2.334 3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.471 -0.509 1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.590 -0.108 3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.435 -1.719 4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.468 -3.404 3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.656 -2.152 2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.738 1.140 2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.105 0.015 3.351 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.985 -0.391 1.623 1.00 0.00 H new ATOM 285 N VAL A 24 -6.171 -2.117 0.156 1.00 0.00 N ATOM 286 CA VAL A 24 -4.928 -2.169 -0.594 1.00 0.00 C ATOM 287 C VAL A 24 -4.182 -0.843 -0.432 1.00 0.00 C ATOM 288 O VAL A 24 -4.656 0.198 -0.885 1.00 0.00 O ATOM 289 CB VAL A 24 -5.213 -2.520 -2.055 1.00 0.00 C ATOM 290 CG1 VAL A 24 -3.911 -2.712 -2.837 1.00 0.00 C ATOM 291 CG2 VAL A 24 -6.102 -3.761 -2.157 1.00 0.00 C ATOM 0 H VAL A 24 -6.655 -1.220 0.117 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.281 -2.955 -0.205 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.752 -1.684 -2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.142 -2.961 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.329 -1.791 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.334 -3.521 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.290 -3.989 -3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.601 -4.607 -1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.049 -3.572 -1.652 1.00 0.00 H new ATOM 301 N LYS A 25 -3.029 -0.924 0.215 1.00 0.00 N ATOM 302 CA LYS A 25 -2.214 0.258 0.442 1.00 0.00 C ATOM 303 C LYS A 25 -0.812 0.021 -0.122 1.00 0.00 C ATOM 304 O LYS A 25 -0.456 -1.109 -0.455 1.00 0.00 O ATOM 305 CB LYS A 25 -2.224 0.638 1.924 1.00 0.00 C ATOM 306 CG LYS A 25 -1.837 -0.555 2.800 1.00 0.00 C ATOM 307 CD LYS A 25 -1.058 -0.100 4.035 1.00 0.00 C ATOM 308 CE LYS A 25 -1.931 -0.166 5.289 1.00 0.00 C ATOM 309 NZ LYS A 25 -1.209 -0.845 6.388 1.00 0.00 N ATOM 0 H LYS A 25 -2.640 -1.789 0.589 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.630 1.116 -0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.530 1.460 2.097 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.215 0.993 2.205 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.735 -1.090 3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.233 -1.254 2.222 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.178 -0.730 4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.701 0.920 3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.211 0.841 5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.855 -0.700 5.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.816 -0.881 7.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.963 -1.813 6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.340 -0.319 6.609 1.00 0.00 H new ATOM 319 N ILE A 26 -0.054 1.104 -0.212 1.00 0.00 N ATOM 320 CA ILE A 26 1.301 1.028 -0.732 1.00 0.00 C ATOM 321 C ILE A 26 2.293 1.274 0.407 1.00 0.00 C ATOM 322 O ILE A 26 2.534 2.418 0.789 1.00 0.00 O ATOM 323 CB ILE A 26 1.476 1.980 -1.915 1.00 0.00 C ATOM 324 CG1 ILE A 26 0.579 1.571 -3.086 1.00 0.00 C ATOM 325 CG2 ILE A 26 2.946 2.080 -2.327 1.00 0.00 C ATOM 326 CD1 ILE A 26 -0.307 2.737 -3.531 1.00 0.00 C ATOM 0 H ILE A 26 -0.352 2.039 0.066 1.00 0.00 H new ATOM 0 HA ILE A 26 1.503 0.031 -1.123 1.00 0.00 H new ATOM 0 HB ILE A 26 1.162 2.975 -1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.195 1.238 -3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.045 0.727 -2.793 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.042 2.764 -3.171 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.534 2.453 -1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.311 1.094 -2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.934 2.420 -4.364 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.939 3.052 -2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.320 3.571 -3.846 1.00 0.00 H new ATOM 337 N GLU A 27 2.841 0.181 0.918 1.00 0.00 N ATOM 338 CA GLU A 27 3.801 0.264 2.005 1.00 0.00 C ATOM 339 C GLU A 27 4.723 1.469 1.809 1.00 0.00 C ATOM 340 O GLU A 27 4.982 2.217 2.751 1.00 0.00 O ATOM 341 CB GLU A 27 4.608 -1.031 2.125 1.00 0.00 C ATOM 342 CG GLU A 27 4.399 -1.684 3.492 1.00 0.00 C ATOM 343 CD GLU A 27 5.504 -1.274 4.469 1.00 0.00 C ATOM 344 OE1 GLU A 27 5.542 -0.071 4.812 1.00 0.00 O ATOM 345 OE2 GLU A 27 6.285 -2.171 4.852 1.00 0.00 O ATOM 0 H GLU A 27 2.638 -0.766 0.599 1.00 0.00 H new ATOM 0 HA GLU A 27 3.253 0.399 2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.310 -1.724 1.338 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.667 -0.818 1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.428 -1.394 3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.388 -2.769 3.383 1.00 0.00 H new ATOM 350 N ASP A 28 5.192 1.620 0.580 1.00 0.00 N ATOM 351 CA ASP A 28 6.080 2.722 0.247 1.00 0.00 C ATOM 352 C ASP A 28 6.598 2.540 -1.181 1.00 0.00 C ATOM 353 O ASP A 28 6.300 1.540 -1.830 1.00 0.00 O ATOM 354 CB ASP A 28 7.287 2.759 1.188 1.00 0.00 C ATOM 355 CG ASP A 28 7.646 4.147 1.724 1.00 0.00 C ATOM 356 OD1 ASP A 28 6.759 5.025 1.665 1.00 0.00 O ATOM 357 OD2 ASP A 28 8.799 4.297 2.180 1.00 0.00 O ATOM 0 H ASP A 28 4.974 0.998 -0.198 1.00 0.00 H new ATOM 0 HA ASP A 28 5.518 3.651 0.345 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.090 2.099 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.152 2.354 0.662 1.00 0.00 H new ATOM 361 N VAL A 29 7.365 3.525 -1.627 1.00 0.00 N ATOM 362 CA VAL A 29 7.928 3.486 -2.965 1.00 0.00 C ATOM 363 C VAL A 29 9.298 4.167 -2.958 1.00 0.00 C ATOM 364 O VAL A 29 9.419 5.322 -2.554 1.00 0.00 O ATOM 365 CB VAL A 29 6.952 4.117 -3.962 1.00 0.00 C ATOM 366 CG1 VAL A 29 6.435 5.461 -3.445 1.00 0.00 C ATOM 367 CG2 VAL A 29 7.598 4.270 -5.339 1.00 0.00 C ATOM 0 H VAL A 29 7.609 4.354 -1.085 1.00 0.00 H new ATOM 0 HA VAL A 29 8.079 2.455 -3.285 1.00 0.00 H new ATOM 0 HB VAL A 29 6.098 3.447 -4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.744 5.889 -4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.919 5.312 -2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.274 6.141 -3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.884 4.720 -6.028 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.478 4.909 -5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.894 3.290 -5.713 1.00 0.00 H new ATOM 377 N TRP A 30 10.296 3.423 -3.411 1.00 0.00 N ATOM 378 CA TRP A 30 11.653 3.940 -3.462 1.00 0.00 C ATOM 379 C TRP A 30 12.270 3.520 -4.797 1.00 0.00 C ATOM 380 O TRP A 30 11.843 2.535 -5.399 1.00 0.00 O ATOM 381 CB TRP A 30 12.464 3.469 -2.253 1.00 0.00 C ATOM 382 CG TRP A 30 12.606 1.950 -2.152 1.00 0.00 C ATOM 383 CD1 TRP A 30 13.660 1.195 -2.491 1.00 0.00 C ATOM 384 CD2 TRP A 30 11.612 1.024 -1.665 1.00 0.00 C ATOM 385 NE1 TRP A 30 13.420 -0.144 -2.258 1.00 0.00 N ATOM 386 CE2 TRP A 30 12.135 -0.251 -1.739 1.00 0.00 C ATOM 387 CE3 TRP A 30 10.314 1.256 -1.176 1.00 0.00 C ATOM 388 CZ2 TRP A 30 11.430 -1.393 -1.343 1.00 0.00 C ATOM 389 CZ3 TRP A 30 9.622 0.104 -0.784 1.00 0.00 C ATOM 390 CH2 TRP A 30 10.134 -1.186 -0.854 1.00 0.00 C ATOM 0 H TRP A 30 10.192 2.465 -3.746 1.00 0.00 H new ATOM 0 HA TRP A 30 11.654 5.029 -3.407 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.458 3.914 -2.300 1.00 0.00 H new ATOM 0 HB3 TRP A 30 11.991 3.840 -1.344 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.582 1.586 -2.896 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.066 -0.913 -2.434 1.00 0.00 H new ATOM 0 HE3 TRP A 30 9.885 2.245 -1.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 11.862 -2.381 -1.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.620 0.226 -0.400 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.535 -2.025 -0.533 1.00 0.00 H new ATOM 400 N GLY A 31 13.263 4.286 -5.221 1.00 0.00 N ATOM 401 CA GLY A 31 13.943 4.005 -6.473 1.00 0.00 C ATOM 402 C GLY A 31 12.945 3.606 -7.562 1.00 0.00 C ATOM 403 O GLY A 31 12.044 4.374 -7.896 1.00 0.00 O ATOM 0 H GLY A 31 13.613 5.102 -4.719 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.503 4.884 -6.792 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.666 3.203 -6.326 1.00 0.00 H new ATOM 407 N GLU A 32 13.138 2.404 -8.086 1.00 0.00 N ATOM 408 CA GLU A 32 12.266 1.893 -9.129 1.00 0.00 C ATOM 409 C GLU A 32 11.487 0.678 -8.621 1.00 0.00 C ATOM 410 O GLU A 32 11.056 -0.162 -9.411 1.00 0.00 O ATOM 411 CB GLU A 32 13.061 1.548 -10.389 1.00 0.00 C ATOM 412 CG GLU A 32 13.755 2.788 -10.956 1.00 0.00 C ATOM 413 CD GLU A 32 14.418 2.478 -12.300 1.00 0.00 C ATOM 414 OE1 GLU A 32 15.196 1.500 -12.337 1.00 0.00 O ATOM 415 OE2 GLU A 32 14.134 3.228 -13.260 1.00 0.00 O ATOM 0 H GLU A 32 13.886 1.769 -7.807 1.00 0.00 H new ATOM 0 HA GLU A 32 11.552 2.673 -9.393 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.804 0.785 -10.157 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.394 1.125 -11.140 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.028 3.591 -11.081 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.505 3.144 -10.250 1.00 0.00 H new ATOM 420 N ASN A 33 11.330 0.621 -7.307 1.00 0.00 N ATOM 421 CA ASN A 33 10.611 -0.478 -6.686 1.00 0.00 C ATOM 422 C ASN A 33 9.512 0.084 -5.782 1.00 0.00 C ATOM 423 O ASN A 33 9.754 1.003 -5.002 1.00 0.00 O ATOM 424 CB ASN A 33 11.545 -1.328 -5.821 1.00 0.00 C ATOM 425 CG ASN A 33 12.425 -0.446 -4.933 1.00 0.00 C ATOM 426 OD1 ASN A 33 11.957 0.441 -4.237 1.00 0.00 O ATOM 427 ND2 ASN A 33 13.720 -0.737 -4.995 1.00 0.00 N ATOM 0 H ASN A 33 11.689 1.319 -6.655 1.00 0.00 H new ATOM 0 HA ASN A 33 10.190 -1.097 -7.479 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.957 -2.003 -5.200 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.173 -1.949 -6.460 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.389 -0.205 -4.439 1.00 0.00 H new ATOM 0 HD22 ASN A 33 14.045 -1.492 -5.599 1.00 0.00 H new ATOM 433 N VAL A 34 8.326 -0.492 -5.920 1.00 0.00 N ATOM 434 CA VAL A 34 7.189 -0.060 -5.126 1.00 0.00 C ATOM 435 C VAL A 34 6.818 -1.162 -4.132 1.00 0.00 C ATOM 436 O VAL A 34 7.091 -2.337 -4.372 1.00 0.00 O ATOM 437 CB VAL A 34 6.028 0.331 -6.044 1.00 0.00 C ATOM 438 CG1 VAL A 34 4.682 0.076 -5.364 1.00 0.00 C ATOM 439 CG2 VAL A 34 6.150 1.789 -6.491 1.00 0.00 C ATOM 0 H VAL A 34 8.129 -1.253 -6.569 1.00 0.00 H new ATOM 0 HA VAL A 34 7.443 0.828 -4.548 1.00 0.00 H new ATOM 0 HB VAL A 34 6.078 -0.297 -6.934 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.874 0.362 -6.037 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.593 -0.982 -5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.619 0.666 -4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.313 2.041 -7.142 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.139 2.440 -5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.086 1.926 -7.033 1.00 0.00 H new ATOM 449 N ALA A 35 6.202 -0.743 -3.035 1.00 0.00 N ATOM 450 CA ALA A 35 5.793 -1.681 -2.004 1.00 0.00 C ATOM 451 C ALA A 35 4.270 -1.642 -1.862 1.00 0.00 C ATOM 452 O ALA A 35 3.698 -0.600 -1.544 1.00 0.00 O ATOM 453 CB ALA A 35 6.509 -1.343 -0.694 1.00 0.00 C ATOM 0 H ALA A 35 5.977 0.232 -2.839 1.00 0.00 H new ATOM 0 HA ALA A 35 6.074 -2.698 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.203 -2.046 0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.587 -1.411 -0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.248 -0.330 -0.388 1.00 0.00 H new ATOM 459 N LEU A 36 3.656 -2.791 -2.104 1.00 0.00 N ATOM 460 CA LEU A 36 2.210 -2.902 -2.007 1.00 0.00 C ATOM 461 C LEU A 36 1.844 -3.632 -0.714 1.00 0.00 C ATOM 462 O LEU A 36 2.617 -4.453 -0.220 1.00 0.00 O ATOM 463 CB LEU A 36 1.638 -3.555 -3.267 1.00 0.00 C ATOM 464 CG LEU A 36 1.453 -2.636 -4.475 1.00 0.00 C ATOM 465 CD1 LEU A 36 1.317 -3.447 -5.765 1.00 0.00 C ATOM 466 CD2 LEU A 36 0.273 -1.686 -4.267 1.00 0.00 C ATOM 0 H LEU A 36 4.133 -3.653 -2.367 1.00 0.00 H new ATOM 0 HA LEU A 36 1.754 -1.913 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.295 -4.375 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.672 -3.993 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 36 2.347 -2.020 -4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.187 -2.769 -6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.216 -4.045 -5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.451 -4.105 -5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.164 -1.044 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.640 -2.265 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.452 -1.071 -3.385 1.00 0.00 H new ATOM 477 N THR A 37 0.665 -3.310 -0.203 1.00 0.00 N ATOM 478 CA THR A 37 0.188 -3.925 1.024 1.00 0.00 C ATOM 479 C THR A 37 -1.339 -4.015 1.016 1.00 0.00 C ATOM 480 O THR A 37 -2.025 -3.004 1.158 1.00 0.00 O ATOM 481 CB THR A 37 0.744 -3.124 2.203 1.00 0.00 C ATOM 482 OG1 THR A 37 0.827 -1.791 1.707 1.00 0.00 O ATOM 483 CG2 THR A 37 2.192 -3.492 2.531 1.00 0.00 C ATOM 0 H THR A 37 0.026 -2.631 -0.616 1.00 0.00 H new ATOM 0 HA THR A 37 0.542 -4.952 1.115 1.00 0.00 H new ATOM 0 HB THR A 37 0.121 -3.291 3.082 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.177 -1.202 2.408 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.537 -2.895 3.375 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.249 -4.550 2.788 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.823 -3.294 1.664 1.00 0.00 H new ATOM 491 N TRP A 38 -1.828 -5.235 0.848 1.00 0.00 N ATOM 492 CA TRP A 38 -3.262 -5.470 0.820 1.00 0.00 C ATOM 493 C TRP A 38 -3.609 -6.414 1.973 1.00 0.00 C ATOM 494 O TRP A 38 -2.768 -7.193 2.417 1.00 0.00 O ATOM 495 CB TRP A 38 -3.703 -6.006 -0.544 1.00 0.00 C ATOM 496 CG TRP A 38 -3.074 -7.351 -0.917 1.00 0.00 C ATOM 497 CD1 TRP A 38 -3.552 -8.579 -0.676 1.00 0.00 C ATOM 498 CD2 TRP A 38 -1.826 -7.553 -1.612 1.00 0.00 C ATOM 499 NE1 TRP A 38 -2.707 -9.556 -1.163 1.00 0.00 N ATOM 500 CE2 TRP A 38 -1.623 -8.912 -1.750 1.00 0.00 C ATOM 501 CE3 TRP A 38 -0.898 -6.620 -2.107 1.00 0.00 C ATOM 502 CZ2 TRP A 38 -0.499 -9.458 -2.381 1.00 0.00 C ATOM 503 CZ3 TRP A 38 0.218 -7.182 -2.736 1.00 0.00 C ATOM 504 CH2 TRP A 38 0.438 -8.548 -2.883 1.00 0.00 C ATOM 0 H TRP A 38 -1.257 -6.072 0.730 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.808 -4.537 0.957 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -4.788 -6.110 -0.549 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.450 -5.273 -1.310 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -4.482 -8.780 -0.165 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.851 -10.564 -1.103 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.036 -5.553 -2.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.362 -10.525 -2.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.961 -6.508 -3.136 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.327 -8.904 -3.382 1.00 0.00 H new ATOM 514 N THR A 39 -4.851 -6.311 2.425 1.00 0.00 N ATOM 515 CA THR A 39 -5.320 -7.145 3.519 1.00 0.00 C ATOM 516 C THR A 39 -6.049 -8.375 2.976 1.00 0.00 C ATOM 517 O THR A 39 -6.500 -8.379 1.831 1.00 0.00 O ATOM 518 CB THR A 39 -6.187 -6.279 4.436 1.00 0.00 C ATOM 519 OG1 THR A 39 -6.992 -5.521 3.537 1.00 0.00 O ATOM 520 CG2 THR A 39 -5.372 -5.224 5.187 1.00 0.00 C ATOM 0 H THR A 39 -5.546 -5.663 2.054 1.00 0.00 H new ATOM 0 HA THR A 39 -4.488 -7.533 4.107 1.00 0.00 H new ATOM 0 HB THR A 39 -6.705 -6.915 5.153 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.587 -4.932 4.047 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.035 -4.637 5.823 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.620 -5.716 5.803 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.880 -4.566 4.470 1.00 0.00 H new ATOM 528 N PRO A 40 -6.146 -9.416 3.846 1.00 0.00 N ATOM 529 CA PRO A 40 -6.814 -10.649 3.466 1.00 0.00 C ATOM 530 C PRO A 40 -8.333 -10.470 3.457 1.00 0.00 C ATOM 531 O PRO A 40 -8.851 -9.502 4.012 1.00 0.00 O ATOM 532 CB PRO A 40 -6.343 -11.680 4.479 1.00 0.00 C ATOM 533 CG PRO A 40 -5.800 -10.888 5.657 1.00 0.00 C ATOM 534 CD PRO A 40 -5.625 -9.446 5.209 1.00 0.00 C ATOM 0 HA PRO A 40 -6.568 -10.965 2.452 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.164 -12.327 4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.573 -12.323 4.053 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.485 -10.944 6.503 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.848 -11.303 5.989 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.172 -8.761 5.857 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.577 -9.146 5.239 1.00 0.00 H new ATOM 539 N PRO A 41 -9.022 -11.444 2.804 1.00 0.00 N ATOM 540 CA PRO A 41 -10.472 -11.404 2.716 1.00 0.00 C ATOM 541 C PRO A 41 -11.114 -11.794 4.048 1.00 0.00 C ATOM 542 O PRO A 41 -10.596 -12.651 4.763 1.00 0.00 O ATOM 543 CB PRO A 41 -10.825 -12.356 1.585 1.00 0.00 C ATOM 544 CG PRO A 41 -9.605 -13.242 1.392 1.00 0.00 C ATOM 545 CD PRO A 41 -8.443 -12.605 2.135 1.00 0.00 C ATOM 0 HA PRO A 41 -10.852 -10.404 2.510 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.704 -12.950 1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.059 -11.809 0.672 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.798 -14.245 1.773 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.371 -13.343 0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.005 -13.298 2.853 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.648 -12.311 1.449 1.00 0.00 H new ATOM 550 N LYS A 42 -12.232 -11.147 4.343 1.00 0.00 N ATOM 551 CA LYS A 42 -12.950 -11.416 5.577 1.00 0.00 C ATOM 552 C LYS A 42 -13.709 -12.738 5.442 1.00 0.00 C ATOM 553 O LYS A 42 -14.299 -13.220 6.408 1.00 0.00 O ATOM 554 CB LYS A 42 -13.841 -10.230 5.948 1.00 0.00 C ATOM 555 CG LYS A 42 -13.150 -9.321 6.967 1.00 0.00 C ATOM 556 CD LYS A 42 -14.107 -8.241 7.476 1.00 0.00 C ATOM 557 CE LYS A 42 -14.999 -8.783 8.595 1.00 0.00 C ATOM 558 NZ LYS A 42 -16.426 -8.673 8.217 1.00 0.00 N ATOM 0 H LYS A 42 -12.658 -10.437 3.748 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.252 -11.532 6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.084 -9.659 5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.783 -10.593 6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.789 -9.917 7.805 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.278 -8.853 6.510 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.536 -7.387 7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.726 -7.882 6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.749 -9.825 8.796 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.816 -8.228 9.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.019 -9.045 8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.664 -7.675 8.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.599 -9.222 7.351 1.00 0.00 H new ATOM 630 N ILE A 49 -8.209 -19.754 -0.872 1.00 0.00 N ATOM 631 CA ILE A 49 -7.529 -18.746 -1.667 1.00 0.00 C ATOM 632 C ILE A 49 -6.084 -19.183 -1.910 1.00 0.00 C ATOM 633 O ILE A 49 -5.205 -18.917 -1.091 1.00 0.00 O ATOM 634 CB ILE A 49 -7.653 -17.370 -1.009 1.00 0.00 C ATOM 635 CG1 ILE A 49 -9.120 -16.954 -0.881 1.00 0.00 C ATOM 636 CG2 ILE A 49 -6.825 -16.326 -1.761 1.00 0.00 C ATOM 637 CD1 ILE A 49 -9.669 -17.298 0.505 1.00 0.00 C ATOM 0 HA ILE A 49 -8.002 -18.650 -2.644 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.248 -17.436 0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -9.215 -15.883 -1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.712 -17.457 -1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.931 -15.357 -1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.776 -16.622 -1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.178 -16.254 -2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.713 -16.992 0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.595 -18.373 0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -9.090 -16.775 1.266 1.00 0.00 H new ATOM 648 N THR A 50 -5.881 -19.847 -3.038 1.00 0.00 N ATOM 649 CA THR A 50 -4.557 -20.324 -3.399 1.00 0.00 C ATOM 650 C THR A 50 -3.534 -19.190 -3.292 1.00 0.00 C ATOM 651 O THR A 50 -2.429 -19.392 -2.792 1.00 0.00 O ATOM 652 CB THR A 50 -4.639 -20.937 -4.798 1.00 0.00 C ATOM 653 OG1 THR A 50 -5.487 -20.046 -5.518 1.00 0.00 O ATOM 654 CG2 THR A 50 -5.398 -22.266 -4.812 1.00 0.00 C ATOM 0 H THR A 50 -6.612 -20.066 -3.715 1.00 0.00 H new ATOM 0 HA THR A 50 -4.214 -21.096 -2.710 1.00 0.00 H new ATOM 0 HB THR A 50 -3.632 -21.090 -5.187 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.097 -19.863 -6.398 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.427 -22.658 -5.829 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.893 -22.980 -4.162 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.416 -22.108 -4.455 1.00 0.00 H new ATOM 662 N GLY A 51 -3.941 -18.023 -3.769 1.00 0.00 N ATOM 663 CA GLY A 51 -3.074 -16.857 -3.734 1.00 0.00 C ATOM 664 C GLY A 51 -3.829 -15.599 -4.167 1.00 0.00 C ATOM 665 O GLY A 51 -5.051 -15.530 -4.044 1.00 0.00 O ATOM 0 H GLY A 51 -4.859 -17.860 -4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.682 -16.721 -2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.218 -17.016 -4.390 1.00 0.00 H new ATOM 669 N TYR A 52 -3.070 -14.635 -4.666 1.00 0.00 N ATOM 670 CA TYR A 52 -3.652 -13.382 -5.118 1.00 0.00 C ATOM 671 C TYR A 52 -2.896 -12.833 -6.330 1.00 0.00 C ATOM 672 O TYR A 52 -1.667 -12.801 -6.336 1.00 0.00 O ATOM 673 CB TYR A 52 -3.504 -12.403 -3.953 1.00 0.00 C ATOM 674 CG TYR A 52 -4.070 -12.920 -2.628 1.00 0.00 C ATOM 675 CD1 TYR A 52 -3.320 -13.774 -1.845 1.00 0.00 C ATOM 676 CD2 TYR A 52 -5.330 -12.534 -2.218 1.00 0.00 C ATOM 677 CE1 TYR A 52 -3.852 -14.261 -0.599 1.00 0.00 C ATOM 678 CE2 TYR A 52 -5.862 -13.022 -0.972 1.00 0.00 C ATOM 679 CZ TYR A 52 -5.097 -13.862 -0.224 1.00 0.00 C ATOM 680 OH TYR A 52 -5.599 -14.322 0.953 1.00 0.00 O ATOM 0 H TYR A 52 -2.057 -14.696 -4.767 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.692 -13.526 -5.413 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.447 -12.171 -3.819 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.005 -11.470 -4.210 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.335 -14.077 -2.167 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.917 -11.866 -2.831 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.275 -14.928 0.024 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.846 -12.728 -0.639 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.864 -14.485 1.581 1.00 0.00 H new ATOM 689 N THR A 53 -3.664 -12.413 -7.325 1.00 0.00 N ATOM 690 CA THR A 53 -3.082 -11.867 -8.539 1.00 0.00 C ATOM 691 C THR A 53 -2.767 -10.380 -8.358 1.00 0.00 C ATOM 692 O THR A 53 -3.446 -9.686 -7.603 1.00 0.00 O ATOM 693 CB THR A 53 -4.047 -12.147 -9.693 1.00 0.00 C ATOM 694 OG1 THR A 53 -3.863 -13.532 -9.972 1.00 0.00 O ATOM 695 CG2 THR A 53 -3.629 -11.448 -10.989 1.00 0.00 C ATOM 0 H THR A 53 -4.684 -12.440 -7.315 1.00 0.00 H new ATOM 0 HA THR A 53 -2.129 -12.343 -8.770 1.00 0.00 H new ATOM 0 HB THR A 53 -5.050 -11.824 -9.413 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.094 -14.059 -9.179 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.347 -11.680 -11.775 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.602 -10.370 -10.829 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.640 -11.796 -11.287 1.00 0.00 H new ATOM 703 N ILE A 54 -1.737 -9.936 -9.062 1.00 0.00 N ATOM 704 CA ILE A 54 -1.324 -8.545 -8.989 1.00 0.00 C ATOM 705 C ILE A 54 -1.133 -7.998 -10.405 1.00 0.00 C ATOM 706 O ILE A 54 -0.767 -8.738 -11.317 1.00 0.00 O ATOM 707 CB ILE A 54 -0.085 -8.400 -8.102 1.00 0.00 C ATOM 708 CG1 ILE A 54 -0.413 -8.729 -6.644 1.00 0.00 C ATOM 709 CG2 ILE A 54 0.537 -7.011 -8.252 1.00 0.00 C ATOM 710 CD1 ILE A 54 0.470 -9.866 -6.125 1.00 0.00 C ATOM 0 H ILE A 54 -1.176 -10.515 -9.686 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.099 -7.942 -8.516 1.00 0.00 H new ATOM 0 HB ILE A 54 0.660 -9.123 -8.434 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.270 -7.842 -6.027 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.462 -9.011 -6.559 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.415 -6.935 -7.611 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.830 -6.854 -9.290 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.191 -6.253 -7.962 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.216 -10.079 -5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.307 -10.758 -6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.517 -9.571 -6.189 1.00 0.00 H new ATOM 721 N GLN A 55 -1.392 -6.706 -10.546 1.00 0.00 N ATOM 722 CA GLN A 55 -1.254 -6.052 -11.835 1.00 0.00 C ATOM 723 C GLN A 55 -0.894 -4.576 -11.645 1.00 0.00 C ATOM 724 O GLN A 55 -1.396 -3.923 -10.731 1.00 0.00 O ATOM 725 CB GLN A 55 -2.530 -6.202 -12.666 1.00 0.00 C ATOM 726 CG GLN A 55 -3.157 -7.582 -12.462 1.00 0.00 C ATOM 727 CD GLN A 55 -4.430 -7.736 -13.296 1.00 0.00 C ATOM 728 OE1 GLN A 55 -5.279 -6.860 -13.347 1.00 0.00 O ATOM 729 NE2 GLN A 55 -4.515 -8.893 -13.946 1.00 0.00 N ATOM 0 H GLN A 55 -1.697 -6.095 -9.788 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.445 -6.537 -12.382 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.245 -5.429 -12.385 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.300 -6.055 -13.721 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.441 -8.355 -12.740 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.390 -7.727 -11.407 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.768 -9.583 -13.859 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.327 -9.091 -14.531 1.00 0.00 H new ATOM 736 N LYS A 56 -0.028 -4.094 -12.524 1.00 0.00 N ATOM 737 CA LYS A 56 0.405 -2.708 -12.465 1.00 0.00 C ATOM 738 C LYS A 56 0.001 -1.997 -13.758 1.00 0.00 C ATOM 739 O LYS A 56 -0.195 -2.638 -14.789 1.00 0.00 O ATOM 740 CB LYS A 56 1.903 -2.627 -12.160 1.00 0.00 C ATOM 741 CG LYS A 56 2.733 -3.008 -13.387 1.00 0.00 C ATOM 742 CD LYS A 56 3.429 -4.355 -13.181 1.00 0.00 C ATOM 743 CE LYS A 56 4.621 -4.507 -14.128 1.00 0.00 C ATOM 744 NZ LYS A 56 4.313 -3.913 -15.449 1.00 0.00 N ATOM 0 H LYS A 56 0.386 -4.638 -13.281 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.092 -2.188 -11.646 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.159 -1.616 -11.843 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.146 -3.292 -11.331 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.089 -3.058 -14.265 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.477 -2.236 -13.581 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.767 -4.439 -12.148 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.719 -5.165 -13.351 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.498 -4.021 -13.700 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.867 -5.562 -14.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.947 -4.317 -16.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.326 -4.121 -15.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.450 -2.883 -15.407 1.00 0.00 H new ATOM 754 N ALA A 57 -0.112 -0.680 -13.661 1.00 0.00 N ATOM 755 CA ALA A 57 -0.490 0.126 -14.809 1.00 0.00 C ATOM 756 C ALA A 57 -0.017 1.565 -14.595 1.00 0.00 C ATOM 757 O ALA A 57 0.033 2.044 -13.463 1.00 0.00 O ATOM 758 CB ALA A 57 -2.002 0.034 -15.022 1.00 0.00 C ATOM 0 H ALA A 57 0.052 -0.151 -12.804 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.010 -0.247 -15.714 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.286 0.639 -15.883 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.282 -1.004 -15.200 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.517 0.402 -14.135 1.00 0.00 H new ATOM 764 N ASP A 58 0.318 2.214 -15.700 1.00 0.00 N ATOM 765 CA ASP A 58 0.786 3.589 -15.647 1.00 0.00 C ATOM 766 C ASP A 58 -0.359 4.528 -16.037 1.00 0.00 C ATOM 767 O ASP A 58 -1.419 4.074 -16.466 1.00 0.00 O ATOM 768 CB ASP A 58 1.938 3.817 -16.627 1.00 0.00 C ATOM 769 CG ASP A 58 2.133 2.711 -17.665 1.00 0.00 C ATOM 770 OD1 ASP A 58 1.138 2.398 -18.354 1.00 0.00 O ATOM 771 OD2 ASP A 58 3.272 2.203 -17.747 1.00 0.00 O ATOM 0 H ASP A 58 0.275 1.814 -16.637 1.00 0.00 H new ATOM 0 HA ASP A 58 1.131 3.789 -14.632 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.770 4.759 -17.149 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.862 3.928 -16.059 1.00 0.00 H new ATOM 775 N LYS A 59 -0.105 5.818 -15.874 1.00 0.00 N ATOM 776 CA LYS A 59 -1.101 6.823 -16.204 1.00 0.00 C ATOM 777 C LYS A 59 -0.904 7.274 -17.652 1.00 0.00 C ATOM 778 O LYS A 59 -1.320 8.370 -18.028 1.00 0.00 O ATOM 779 CB LYS A 59 -1.059 7.970 -15.192 1.00 0.00 C ATOM 780 CG LYS A 59 -2.065 7.741 -14.062 1.00 0.00 C ATOM 781 CD LYS A 59 -3.217 8.745 -14.140 1.00 0.00 C ATOM 782 CE LYS A 59 -4.125 8.445 -15.335 1.00 0.00 C ATOM 783 NZ LYS A 59 -5.548 8.553 -14.945 1.00 0.00 N ATOM 0 H LYS A 59 0.775 6.190 -15.518 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.104 6.403 -16.134 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.055 8.057 -14.777 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.279 8.912 -15.695 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.458 6.726 -14.121 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.563 7.833 -13.099 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.798 8.709 -13.219 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.818 9.756 -14.226 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.910 9.141 -16.146 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.920 7.443 -15.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.150 8.346 -15.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.753 7.872 -14.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.743 9.517 -14.607 1.00 0.00 H new ATOM 793 N LYS A 60 -0.268 6.407 -18.428 1.00 0.00 N ATOM 794 CA LYS A 60 -0.011 6.703 -19.826 1.00 0.00 C ATOM 795 C LYS A 60 -0.875 5.793 -20.703 1.00 0.00 C ATOM 796 O LYS A 60 -1.482 6.252 -21.670 1.00 0.00 O ATOM 797 CB LYS A 60 1.485 6.606 -20.128 1.00 0.00 C ATOM 798 CG LYS A 60 2.314 7.189 -18.982 1.00 0.00 C ATOM 799 CD LYS A 60 2.042 8.685 -18.812 1.00 0.00 C ATOM 800 CE LYS A 60 2.618 9.483 -19.983 1.00 0.00 C ATOM 801 NZ LYS A 60 1.542 9.889 -20.914 1.00 0.00 N ATOM 0 H LYS A 60 0.076 5.500 -18.114 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.293 7.730 -20.056 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.761 5.564 -20.287 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.709 7.140 -21.052 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.078 6.666 -18.055 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.374 7.029 -19.178 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.968 8.858 -18.743 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.482 9.034 -17.878 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.135 10.366 -19.609 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.357 8.881 -20.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.708 10.865 -21.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.537 9.254 -21.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.624 9.834 -20.429 1.00 0.00 H new ATOM 811 N SER A 61 -0.903 4.522 -20.333 1.00 0.00 N ATOM 812 CA SER A 61 -1.682 3.544 -21.073 1.00 0.00 C ATOM 813 C SER A 61 -2.763 2.946 -20.170 1.00 0.00 C ATOM 814 O SER A 61 -3.796 2.486 -20.655 1.00 0.00 O ATOM 815 CB SER A 61 -0.788 2.438 -21.635 1.00 0.00 C ATOM 816 OG SER A 61 -1.008 2.229 -23.028 1.00 0.00 O ATOM 0 H SER A 61 -0.399 4.146 -19.530 1.00 0.00 H new ATOM 0 HA SER A 61 -2.158 4.050 -21.913 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.257 2.697 -21.468 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.977 1.510 -21.095 1.00 0.00 H new ATOM 0 HG SER A 61 -0.234 1.771 -23.416 1.00 0.00 H new ATOM 821 N MET A 62 -2.488 2.970 -18.875 1.00 0.00 N ATOM 822 CA MET A 62 -3.424 2.434 -17.901 1.00 0.00 C ATOM 823 C MET A 62 -3.666 0.943 -18.136 1.00 0.00 C ATOM 824 O MET A 62 -4.649 0.385 -17.648 1.00 0.00 O ATOM 825 CB MET A 62 -4.751 3.190 -17.999 1.00 0.00 C ATOM 826 CG MET A 62 -4.693 4.505 -17.219 1.00 0.00 C ATOM 827 SD MET A 62 -4.410 4.174 -15.488 1.00 0.00 S ATOM 828 CE MET A 62 -5.907 3.288 -15.091 1.00 0.00 C ATOM 0 H MET A 62 -1.630 3.352 -18.477 1.00 0.00 H new ATOM 0 HA MET A 62 -2.997 2.560 -16.906 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.981 3.393 -19.045 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.557 2.568 -17.610 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.896 5.136 -17.612 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.626 5.054 -17.345 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.127 3.403 -14.030 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.733 3.688 -15.679 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.776 2.231 -15.322 1.00 0.00 H new ATOM 836 N GLU A 63 -2.754 0.337 -18.882 1.00 0.00 N ATOM 837 CA GLU A 63 -2.856 -1.079 -19.187 1.00 0.00 C ATOM 838 C GLU A 63 -2.438 -1.915 -17.975 1.00 0.00 C ATOM 839 O GLU A 63 -1.411 -1.644 -17.354 1.00 0.00 O ATOM 840 CB GLU A 63 -2.018 -1.437 -20.416 1.00 0.00 C ATOM 841 CG GLU A 63 -2.474 -0.641 -21.641 1.00 0.00 C ATOM 842 CD GLU A 63 -1.436 -0.720 -22.763 1.00 0.00 C ATOM 843 OE1 GLU A 63 -0.240 -0.551 -22.441 1.00 0.00 O ATOM 844 OE2 GLU A 63 -1.862 -0.947 -23.915 1.00 0.00 O ATOM 0 H GLU A 63 -1.940 0.802 -19.284 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.896 -1.307 -19.419 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.966 -1.232 -20.216 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.102 -2.505 -20.620 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.429 -1.028 -21.996 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.636 0.400 -21.363 1.00 0.00 H new ATOM 849 N TRP A 64 -3.255 -2.914 -17.676 1.00 0.00 N ATOM 850 CA TRP A 64 -2.982 -3.792 -16.549 1.00 0.00 C ATOM 851 C TRP A 64 -2.204 -5.001 -17.070 1.00 0.00 C ATOM 852 O TRP A 64 -2.687 -5.729 -17.936 1.00 0.00 O ATOM 853 CB TRP A 64 -4.276 -4.178 -15.830 1.00 0.00 C ATOM 854 CG TRP A 64 -5.025 -2.992 -15.218 1.00 0.00 C ATOM 855 CD1 TRP A 64 -6.080 -2.335 -15.721 1.00 0.00 C ATOM 856 CD2 TRP A 64 -4.734 -2.347 -13.961 1.00 0.00 C ATOM 857 NE1 TRP A 64 -6.487 -1.317 -14.883 1.00 0.00 N ATOM 858 CE2 TRP A 64 -5.642 -1.324 -13.779 1.00 0.00 C ATOM 859 CE3 TRP A 64 -3.735 -2.617 -13.010 1.00 0.00 C ATOM 860 CZ2 TRP A 64 -5.643 -0.491 -12.654 1.00 0.00 C ATOM 861 CZ3 TRP A 64 -3.748 -1.776 -11.891 1.00 0.00 C ATOM 862 CH2 TRP A 64 -4.656 -0.742 -11.693 1.00 0.00 C ATOM 0 H TRP A 64 -4.106 -3.136 -18.193 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.374 -3.283 -15.801 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.934 -4.685 -16.535 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.042 -4.893 -15.041 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.552 -2.573 -16.663 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.265 -0.677 -15.044 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.014 -3.411 -13.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.366 0.302 -12.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.001 -1.942 -11.129 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.600 -0.135 -10.802 1.00 0.00 H new ATOM 872 N PHE A 65 -1.011 -5.179 -16.521 1.00 0.00 N ATOM 873 CA PHE A 65 -0.161 -6.288 -16.919 1.00 0.00 C ATOM 874 C PHE A 65 0.058 -7.256 -15.754 1.00 0.00 C ATOM 875 O PHE A 65 0.728 -6.919 -14.780 1.00 0.00 O ATOM 876 CB PHE A 65 1.186 -5.692 -17.331 1.00 0.00 C ATOM 877 CG PHE A 65 1.326 -5.449 -18.835 1.00 0.00 C ATOM 878 CD1 PHE A 65 0.663 -4.418 -19.421 1.00 0.00 C ATOM 879 CD2 PHE A 65 2.113 -6.267 -19.586 1.00 0.00 C ATOM 880 CE1 PHE A 65 0.792 -4.192 -20.818 1.00 0.00 C ATOM 881 CE2 PHE A 65 2.241 -6.042 -20.982 1.00 0.00 C ATOM 882 CZ PHE A 65 1.578 -5.009 -21.568 1.00 0.00 C ATOM 0 H PHE A 65 -0.613 -4.573 -15.803 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.628 -6.842 -17.734 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.329 -4.748 -16.806 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.982 -6.361 -17.006 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.038 -3.770 -18.825 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.640 -7.087 -19.120 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.266 -3.372 -21.284 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.865 -6.691 -21.579 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.676 -4.838 -22.630 1.00 0.00 H new ATOM 891 N THR A 66 -0.522 -8.440 -15.895 1.00 0.00 N ATOM 892 CA THR A 66 -0.398 -9.459 -14.867 1.00 0.00 C ATOM 893 C THR A 66 1.013 -9.452 -14.275 1.00 0.00 C ATOM 894 O THR A 66 1.994 -9.605 -15.000 1.00 0.00 O ATOM 895 CB THR A 66 -0.792 -10.802 -15.484 1.00 0.00 C ATOM 896 OG1 THR A 66 -2.174 -10.651 -15.792 1.00 0.00 O ATOM 897 CG2 THR A 66 -0.760 -11.946 -14.468 1.00 0.00 C ATOM 0 H THR A 66 -1.078 -8.715 -16.705 1.00 0.00 H new ATOM 0 HA THR A 66 -1.067 -9.260 -14.030 1.00 0.00 H new ATOM 0 HB THR A 66 -0.120 -11.032 -16.311 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.511 -11.477 -16.198 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.048 -12.876 -14.958 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.247 -12.046 -14.064 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.457 -11.732 -13.657 1.00 0.00 H new ATOM 905 N VAL A 67 1.069 -9.274 -12.963 1.00 0.00 N ATOM 906 CA VAL A 67 2.343 -9.245 -12.266 1.00 0.00 C ATOM 907 C VAL A 67 2.668 -10.649 -11.748 1.00 0.00 C ATOM 908 O VAL A 67 3.776 -11.145 -11.946 1.00 0.00 O ATOM 909 CB VAL A 67 2.309 -8.193 -11.156 1.00 0.00 C ATOM 910 CG1 VAL A 67 3.605 -8.211 -10.343 1.00 0.00 C ATOM 911 CG2 VAL A 67 2.040 -6.800 -11.731 1.00 0.00 C ATOM 0 H VAL A 67 0.252 -9.148 -12.365 1.00 0.00 H new ATOM 0 HA VAL A 67 3.144 -8.955 -12.946 1.00 0.00 H new ATOM 0 HB VAL A 67 1.489 -8.442 -10.482 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.554 -7.454 -9.561 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.736 -9.193 -9.889 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.449 -7.999 -10.999 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.021 -6.070 -10.922 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.829 -6.539 -12.436 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.079 -6.798 -12.245 1.00 0.00 H new ATOM 921 N ILE A 68 1.682 -11.247 -11.096 1.00 0.00 N ATOM 922 CA ILE A 68 1.849 -12.583 -10.549 1.00 0.00 C ATOM 923 C ILE A 68 0.474 -13.220 -10.341 1.00 0.00 C ATOM 924 O ILE A 68 -0.528 -12.517 -10.220 1.00 0.00 O ATOM 925 CB ILE A 68 2.705 -12.539 -9.282 1.00 0.00 C ATOM 926 CG1 ILE A 68 3.805 -13.602 -9.327 1.00 0.00 C ATOM 927 CG2 ILE A 68 1.837 -12.667 -8.029 1.00 0.00 C ATOM 928 CD1 ILE A 68 5.036 -13.151 -8.537 1.00 0.00 C ATOM 0 H ILE A 68 0.765 -10.831 -10.934 1.00 0.00 H new ATOM 0 HA ILE A 68 2.391 -13.217 -11.250 1.00 0.00 H new ATOM 0 HB ILE A 68 3.197 -11.567 -9.236 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.428 -14.538 -8.916 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.084 -13.798 -10.362 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.470 -12.633 -7.143 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.122 -11.845 -7.996 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.299 -13.615 -8.054 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.803 -13.924 -8.585 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.425 -12.227 -8.966 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.758 -12.980 -7.497 1.00 0.00 H new ATOM 939 N GLU A 69 0.469 -14.544 -10.306 1.00 0.00 N ATOM 940 CA GLU A 69 -0.767 -15.284 -10.114 1.00 0.00 C ATOM 941 C GLU A 69 -0.603 -16.307 -8.989 1.00 0.00 C ATOM 942 O GLU A 69 0.442 -16.944 -8.871 1.00 0.00 O ATOM 943 CB GLU A 69 -1.206 -15.962 -11.413 1.00 0.00 C ATOM 944 CG GLU A 69 -1.772 -14.941 -12.402 1.00 0.00 C ATOM 945 CD GLU A 69 -2.847 -15.571 -13.288 1.00 0.00 C ATOM 946 OE1 GLU A 69 -2.489 -16.507 -14.037 1.00 0.00 O ATOM 947 OE2 GLU A 69 -4.003 -15.105 -13.197 1.00 0.00 O ATOM 0 H GLU A 69 1.302 -15.124 -10.407 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.549 -14.581 -9.827 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.357 -16.477 -11.863 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.960 -16.719 -11.195 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.194 -14.097 -11.857 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.968 -14.548 -13.024 1.00 0.00 H new ATOM 952 N HIS A 70 -1.653 -16.435 -8.192 1.00 0.00 N ATOM 953 CA HIS A 70 -1.640 -17.370 -7.080 1.00 0.00 C ATOM 954 C HIS A 70 -0.416 -17.105 -6.201 1.00 0.00 C ATOM 955 O HIS A 70 0.318 -18.030 -5.856 1.00 0.00 O ATOM 956 CB HIS A 70 -1.707 -18.813 -7.583 1.00 0.00 C ATOM 957 CG HIS A 70 -2.967 -19.140 -8.348 1.00 0.00 C ATOM 958 ND1 HIS A 70 -3.621 -20.354 -8.232 1.00 0.00 N ATOM 959 CD2 HIS A 70 -3.686 -18.398 -9.238 1.00 0.00 C ATOM 960 CE1 HIS A 70 -4.685 -20.333 -9.022 1.00 0.00 C ATOM 961 NE2 HIS A 70 -4.723 -19.120 -9.646 1.00 0.00 N ATOM 0 H HIS A 70 -2.519 -15.906 -8.294 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.526 -17.220 -6.464 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.846 -19.004 -8.223 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.626 -19.488 -6.731 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -3.333 -21.133 -7.639 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.452 -17.393 -9.557 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.397 -21.135 -9.149 1.00 0.00 H new ATOM 968 N TYR A 71 -0.233 -15.837 -5.863 1.00 0.00 N ATOM 969 CA TYR A 71 0.889 -15.438 -5.031 1.00 0.00 C ATOM 970 C TYR A 71 0.803 -16.086 -3.648 1.00 0.00 C ATOM 971 O TYR A 71 -0.092 -16.890 -3.388 1.00 0.00 O ATOM 972 CB TYR A 71 0.781 -13.920 -4.876 1.00 0.00 C ATOM 973 CG TYR A 71 2.088 -13.241 -4.462 1.00 0.00 C ATOM 974 CD1 TYR A 71 3.275 -13.608 -5.062 1.00 0.00 C ATOM 975 CD2 TYR A 71 2.080 -12.265 -3.488 1.00 0.00 C ATOM 976 CE1 TYR A 71 4.506 -12.970 -4.672 1.00 0.00 C ATOM 977 CE2 TYR A 71 3.310 -11.627 -3.096 1.00 0.00 C ATOM 978 CZ TYR A 71 4.463 -12.010 -3.708 1.00 0.00 C ATOM 979 OH TYR A 71 5.624 -11.408 -3.340 1.00 0.00 O ATOM 0 H TYR A 71 -0.844 -15.072 -6.151 1.00 0.00 H new ATOM 0 HA TYR A 71 1.831 -15.746 -5.484 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.445 -13.492 -5.820 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.016 -13.695 -4.133 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.281 -14.373 -5.824 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.150 -11.979 -3.019 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.442 -13.247 -5.134 1.00 0.00 H new ATOM 0 HE2 TYR A 71 3.317 -10.862 -2.334 1.00 0.00 H new ATOM 0 HH TYR A 71 5.441 -10.743 -2.644 1.00 0.00 H new ATOM 988 N HIS A 72 1.745 -15.712 -2.794 1.00 0.00 N ATOM 989 CA HIS A 72 1.788 -16.248 -1.444 1.00 0.00 C ATOM 990 C HIS A 72 1.578 -15.115 -0.437 1.00 0.00 C ATOM 991 O HIS A 72 0.492 -14.968 0.121 1.00 0.00 O ATOM 992 CB HIS A 72 3.087 -17.021 -1.207 1.00 0.00 C ATOM 993 CG HIS A 72 3.024 -18.470 -1.623 1.00 0.00 C ATOM 994 ND1 HIS A 72 4.024 -19.380 -1.325 1.00 0.00 N ATOM 995 CD2 HIS A 72 2.072 -19.157 -2.318 1.00 0.00 C ATOM 996 CE1 HIS A 72 3.679 -20.558 -1.824 1.00 0.00 C ATOM 997 NE2 HIS A 72 2.469 -20.419 -2.438 1.00 0.00 N ATOM 0 H HIS A 72 2.485 -15.044 -3.011 1.00 0.00 H new ATOM 0 HA HIS A 72 0.978 -16.965 -1.306 1.00 0.00 H new ATOM 0 HB2 HIS A 72 3.894 -16.532 -1.753 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.341 -16.968 -0.148 1.00 0.00 H new ATOM 0 HD2 HIS A 72 1.152 -18.745 -2.705 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.255 -21.469 -1.756 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.954 -21.161 -2.911 1.00 0.00 H new ATOM 1004 N ARG A 73 2.636 -14.343 -0.234 1.00 0.00 N ATOM 1005 CA ARG A 73 2.583 -13.229 0.696 1.00 0.00 C ATOM 1006 C ARG A 73 1.503 -12.233 0.270 1.00 0.00 C ATOM 1007 O ARG A 73 0.943 -12.348 -0.820 1.00 0.00 O ATOM 1008 CB ARG A 73 3.931 -12.508 0.772 1.00 0.00 C ATOM 1009 CG ARG A 73 4.721 -12.950 2.006 1.00 0.00 C ATOM 1010 CD ARG A 73 4.924 -11.782 2.973 1.00 0.00 C ATOM 1011 NE ARG A 73 6.299 -11.249 2.840 1.00 0.00 N ATOM 1012 CZ ARG A 73 6.825 -10.321 3.650 1.00 0.00 C ATOM 1013 NH1 ARG A 73 6.097 -9.817 4.655 1.00 0.00 N ATOM 1014 NH2 ARG A 73 8.081 -9.897 3.454 1.00 0.00 N ATOM 0 H ARG A 73 3.535 -14.468 -0.699 1.00 0.00 H new ATOM 0 HA ARG A 73 2.344 -13.631 1.680 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.510 -12.716 -0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.770 -11.431 0.806 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.191 -13.758 2.511 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.689 -13.346 1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.198 -10.996 2.764 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.750 -12.112 3.997 1.00 0.00 H new ATOM 0 HE ARG A 73 6.882 -11.611 2.085 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.141 -10.140 4.804 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.499 -9.110 5.271 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.635 -10.281 2.689 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.483 -9.190 4.070 1.00 0.00 H new ATOM 1025 N THR A 74 1.242 -11.278 1.150 1.00 0.00 N ATOM 1026 CA THR A 74 0.239 -10.263 0.878 1.00 0.00 C ATOM 1027 C THR A 74 0.900 -8.988 0.349 1.00 0.00 C ATOM 1028 O THR A 74 0.214 -8.061 -0.078 1.00 0.00 O ATOM 1029 CB THR A 74 -0.570 -10.041 2.158 1.00 0.00 C ATOM 1030 OG1 THR A 74 0.405 -10.091 3.197 1.00 0.00 O ATOM 1031 CG2 THR A 74 -1.506 -11.211 2.468 1.00 0.00 C ATOM 0 H THR A 74 1.708 -11.186 2.053 1.00 0.00 H new ATOM 0 HA THR A 74 -0.447 -10.586 0.095 1.00 0.00 H new ATOM 0 HB THR A 74 -1.153 -9.124 2.066 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.033 -9.954 4.063 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.057 -11.003 3.386 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.209 -11.343 1.645 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.921 -12.122 2.594 1.00 0.00 H new ATOM 1039 N SER A 75 2.224 -8.984 0.395 1.00 0.00 N ATOM 1040 CA SER A 75 2.985 -7.839 -0.074 1.00 0.00 C ATOM 1041 C SER A 75 3.948 -8.269 -1.182 1.00 0.00 C ATOM 1042 O SER A 75 4.596 -9.309 -1.077 1.00 0.00 O ATOM 1043 CB SER A 75 3.756 -7.182 1.074 1.00 0.00 C ATOM 1044 OG SER A 75 3.726 -7.974 2.258 1.00 0.00 O ATOM 0 H SER A 75 2.789 -9.755 0.750 1.00 0.00 H new ATOM 0 HA SER A 75 2.286 -7.104 -0.474 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.791 -7.022 0.771 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.329 -6.201 1.283 1.00 0.00 H new ATOM 0 HG SER A 75 4.230 -7.522 2.967 1.00 0.00 H new ATOM 1049 N ALA A 76 4.012 -7.447 -2.219 1.00 0.00 N ATOM 1050 CA ALA A 76 4.886 -7.729 -3.345 1.00 0.00 C ATOM 1051 C ALA A 76 5.625 -6.451 -3.744 1.00 0.00 C ATOM 1052 O ALA A 76 5.118 -5.349 -3.548 1.00 0.00 O ATOM 1053 CB ALA A 76 4.062 -8.310 -4.497 1.00 0.00 C ATOM 0 H ALA A 76 3.473 -6.585 -2.303 1.00 0.00 H new ATOM 0 HA ALA A 76 5.636 -8.472 -3.073 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.717 -8.522 -5.342 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.580 -9.232 -4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.301 -7.590 -4.799 1.00 0.00 H new ATOM 1059 N THR A 77 6.814 -6.642 -4.297 1.00 0.00 N ATOM 1060 CA THR A 77 7.630 -5.518 -4.725 1.00 0.00 C ATOM 1061 C THR A 77 7.633 -5.412 -6.251 1.00 0.00 C ATOM 1062 O THR A 77 7.949 -6.378 -6.944 1.00 0.00 O ATOM 1063 CB THR A 77 9.027 -5.693 -4.125 1.00 0.00 C ATOM 1064 OG1 THR A 77 8.787 -5.882 -2.734 1.00 0.00 O ATOM 1065 CG2 THR A 77 9.856 -4.409 -4.190 1.00 0.00 C ATOM 0 H THR A 77 7.232 -7.558 -4.459 1.00 0.00 H new ATOM 0 HA THR A 77 7.222 -4.573 -4.366 1.00 0.00 H new ATOM 0 HB THR A 77 9.551 -6.491 -4.652 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.641 -6.005 -2.269 1.00 0.00 H new ATOM 0 HG21 THR A 77 10.838 -4.587 -3.752 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.973 -4.104 -5.230 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.349 -3.620 -3.635 1.00 0.00 H new ATOM 1073 N ILE A 78 7.277 -4.230 -6.731 1.00 0.00 N ATOM 1074 CA ILE A 78 7.235 -3.985 -8.162 1.00 0.00 C ATOM 1075 C ILE A 78 8.612 -3.522 -8.638 1.00 0.00 C ATOM 1076 O ILE A 78 9.447 -3.114 -7.831 1.00 0.00 O ATOM 1077 CB ILE A 78 6.105 -3.009 -8.506 1.00 0.00 C ATOM 1078 CG1 ILE A 78 4.793 -3.437 -7.848 1.00 0.00 C ATOM 1079 CG2 ILE A 78 5.963 -2.848 -10.020 1.00 0.00 C ATOM 1080 CD1 ILE A 78 4.101 -4.530 -8.664 1.00 0.00 C ATOM 0 H ILE A 78 7.015 -3.431 -6.154 1.00 0.00 H new ATOM 0 HA ILE A 78 7.006 -4.906 -8.699 1.00 0.00 H new ATOM 0 HB ILE A 78 6.363 -2.030 -8.102 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.990 -3.801 -6.839 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.132 -2.576 -7.753 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.154 -2.150 -10.237 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.895 -2.464 -10.434 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.738 -3.815 -10.469 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.170 -4.816 -8.174 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.884 -4.155 -9.664 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.755 -5.399 -8.736 1.00 0.00 H new ATOM 1091 N THR A 79 8.809 -3.602 -9.945 1.00 0.00 N ATOM 1092 CA THR A 79 10.074 -3.197 -10.538 1.00 0.00 C ATOM 1093 C THR A 79 9.834 -2.500 -11.879 1.00 0.00 C ATOM 1094 O THR A 79 8.691 -2.240 -12.253 1.00 0.00 O ATOM 1095 CB THR A 79 10.964 -4.435 -10.647 1.00 0.00 C ATOM 1096 OG1 THR A 79 10.081 -5.460 -11.099 1.00 0.00 O ATOM 1097 CG2 THR A 79 11.444 -4.934 -9.282 1.00 0.00 C ATOM 0 H THR A 79 8.115 -3.941 -10.611 1.00 0.00 H new ATOM 0 HA THR A 79 10.587 -2.466 -9.914 1.00 0.00 H new ATOM 0 HB THR A 79 11.826 -4.207 -11.274 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.577 -6.299 -11.199 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.072 -5.815 -9.417 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.019 -4.150 -8.790 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.583 -5.193 -8.666 1.00 0.00 H new ATOM 1105 N GLU A 80 10.931 -2.217 -12.567 1.00 0.00 N ATOM 1106 CA GLU A 80 10.856 -1.556 -13.858 1.00 0.00 C ATOM 1107 C GLU A 80 9.855 -0.400 -13.805 1.00 0.00 C ATOM 1108 O GLU A 80 8.749 -0.507 -14.331 1.00 0.00 O ATOM 1109 CB GLU A 80 10.487 -2.550 -14.961 1.00 0.00 C ATOM 1110 CG GLU A 80 11.727 -3.284 -15.476 1.00 0.00 C ATOM 1111 CD GLU A 80 11.383 -4.164 -16.679 1.00 0.00 C ATOM 1112 OE1 GLU A 80 10.275 -4.742 -16.663 1.00 0.00 O ATOM 1113 OE2 GLU A 80 12.237 -4.238 -17.590 1.00 0.00 O ATOM 0 H GLU A 80 11.877 -2.434 -12.254 1.00 0.00 H new ATOM 0 HA GLU A 80 11.839 -1.149 -14.094 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.766 -3.272 -14.578 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.004 -2.023 -15.784 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.492 -2.560 -15.757 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.147 -3.898 -14.680 1.00 0.00 H new ATOM 1118 N LEU A 81 10.280 0.679 -13.163 1.00 0.00 N ATOM 1119 CA LEU A 81 9.435 1.854 -13.034 1.00 0.00 C ATOM 1120 C LEU A 81 10.239 3.099 -13.413 1.00 0.00 C ATOM 1121 O LEU A 81 11.465 3.048 -13.500 1.00 0.00 O ATOM 1122 CB LEU A 81 8.821 1.921 -11.635 1.00 0.00 C ATOM 1123 CG LEU A 81 7.993 0.708 -11.206 1.00 0.00 C ATOM 1124 CD1 LEU A 81 7.765 0.706 -9.694 1.00 0.00 C ATOM 1125 CD2 LEU A 81 6.677 0.640 -11.984 1.00 0.00 C ATOM 0 H LEU A 81 11.198 0.764 -12.727 1.00 0.00 H new ATOM 0 HA LEU A 81 8.593 1.796 -13.724 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.626 2.060 -10.913 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.187 2.806 -11.580 1.00 0.00 H new ATOM 0 HG LEU A 81 8.557 -0.193 -11.447 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.174 -0.167 -9.416 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.726 0.671 -9.181 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.232 1.612 -9.405 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.107 -0.231 -11.660 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.096 1.543 -11.797 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.888 0.559 -13.050 1.00 0.00 H new ATOM 1136 N VAL A 82 9.516 4.187 -13.630 1.00 0.00 N ATOM 1137 CA VAL A 82 10.147 5.443 -13.998 1.00 0.00 C ATOM 1138 C VAL A 82 10.011 6.436 -12.842 1.00 0.00 C ATOM 1139 O VAL A 82 8.947 6.542 -12.232 1.00 0.00 O ATOM 1140 CB VAL A 82 9.551 5.965 -15.307 1.00 0.00 C ATOM 1141 CG1 VAL A 82 8.067 5.610 -15.413 1.00 0.00 C ATOM 1142 CG2 VAL A 82 9.765 7.474 -15.445 1.00 0.00 C ATOM 0 H VAL A 82 8.499 4.225 -13.558 1.00 0.00 H new ATOM 0 HA VAL A 82 11.212 5.296 -14.177 1.00 0.00 H new ATOM 0 HB VAL A 82 10.072 5.477 -16.130 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.668 5.992 -16.352 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.949 4.527 -15.383 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.525 6.057 -14.580 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.332 7.819 -16.384 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.283 7.987 -14.613 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.833 7.692 -15.436 1.00 0.00 H new ATOM 1152 N ILE A 83 11.102 7.139 -12.576 1.00 0.00 N ATOM 1153 CA ILE A 83 11.117 8.120 -11.503 1.00 0.00 C ATOM 1154 C ILE A 83 10.523 9.435 -12.012 1.00 0.00 C ATOM 1155 O ILE A 83 11.102 10.086 -12.881 1.00 0.00 O ATOM 1156 CB ILE A 83 12.527 8.263 -10.927 1.00 0.00 C ATOM 1157 CG1 ILE A 83 12.992 6.955 -10.283 1.00 0.00 C ATOM 1158 CG2 ILE A 83 12.605 9.441 -9.954 1.00 0.00 C ATOM 1159 CD1 ILE A 83 14.465 7.036 -9.881 1.00 0.00 C ATOM 0 H ILE A 83 11.982 7.049 -13.084 1.00 0.00 H new ATOM 0 HA ILE A 83 10.492 7.788 -10.674 1.00 0.00 H new ATOM 0 HB ILE A 83 13.211 8.478 -11.748 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.383 6.741 -9.405 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.846 6.130 -10.980 1.00 0.00 H new ATOM 0 HG21 ILE A 83 13.618 9.520 -9.559 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.346 10.362 -10.476 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.907 9.281 -9.132 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.770 6.094 -9.426 1.00 0.00 H new ATOM 0 HD12 ILE A 83 15.074 7.226 -10.765 1.00 0.00 H new ATOM 0 HD13 ILE A 83 14.603 7.846 -9.165 1.00 0.00 H new ATOM 1170 N GLY A 84 9.377 9.787 -11.449 1.00 0.00 N ATOM 1171 CA GLY A 84 8.699 11.013 -11.835 1.00 0.00 C ATOM 1172 C GLY A 84 7.294 10.719 -12.365 1.00 0.00 C ATOM 1173 O GLY A 84 6.453 11.614 -12.431 1.00 0.00 O ATOM 0 H GLY A 84 8.900 9.245 -10.728 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.635 11.683 -10.978 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.280 11.529 -12.600 1.00 0.00 H new ATOM 1177 N ASN A 85 7.084 9.463 -12.729 1.00 0.00 N ATOM 1178 CA ASN A 85 5.796 9.040 -13.251 1.00 0.00 C ATOM 1179 C ASN A 85 5.015 8.323 -12.149 1.00 0.00 C ATOM 1180 O ASN A 85 5.581 7.954 -11.120 1.00 0.00 O ATOM 1181 CB ASN A 85 5.967 8.067 -14.419 1.00 0.00 C ATOM 1182 CG ASN A 85 5.588 8.731 -15.744 1.00 0.00 C ATOM 1183 OD1 ASN A 85 4.485 9.218 -15.931 1.00 0.00 O ATOM 1184 ND2 ASN A 85 6.560 8.720 -16.652 1.00 0.00 N ATOM 0 H ASN A 85 7.785 8.724 -12.673 1.00 0.00 H new ATOM 0 HA ASN A 85 5.264 9.927 -13.596 1.00 0.00 H new ATOM 0 HB2 ASN A 85 7.000 7.723 -14.463 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.345 7.187 -14.258 1.00 0.00 H new ATOM 0 HD21 ASN A 85 6.405 9.136 -17.570 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.460 8.295 -16.430 1.00 0.00 H new ATOM 1190 N GLU A 86 3.726 8.145 -12.399 1.00 0.00 N ATOM 1191 CA GLU A 86 2.861 7.479 -11.441 1.00 0.00 C ATOM 1192 C GLU A 86 2.452 6.100 -11.965 1.00 0.00 C ATOM 1193 O GLU A 86 2.662 5.790 -13.137 1.00 0.00 O ATOM 1194 CB GLU A 86 1.631 8.333 -11.125 1.00 0.00 C ATOM 1195 CG GLU A 86 2.023 9.793 -10.893 1.00 0.00 C ATOM 1196 CD GLU A 86 1.442 10.696 -11.981 1.00 0.00 C ATOM 1197 OE1 GLU A 86 1.870 10.532 -13.144 1.00 0.00 O ATOM 1198 OE2 GLU A 86 0.582 11.531 -11.627 1.00 0.00 O ATOM 0 H GLU A 86 3.260 8.451 -13.253 1.00 0.00 H new ATOM 0 HA GLU A 86 3.416 7.344 -10.513 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.919 8.270 -11.948 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.130 7.942 -10.239 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.665 10.118 -9.916 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.109 9.884 -10.881 1.00 0.00 H new ATOM 1203 N TYR A 87 1.875 5.310 -11.071 1.00 0.00 N ATOM 1204 CA TYR A 87 1.434 3.972 -11.428 1.00 0.00 C ATOM 1205 C TYR A 87 0.199 3.569 -10.622 1.00 0.00 C ATOM 1206 O TYR A 87 -0.182 4.257 -9.677 1.00 0.00 O ATOM 1207 CB TYR A 87 2.592 3.038 -11.070 1.00 0.00 C ATOM 1208 CG TYR A 87 3.720 3.020 -12.103 1.00 0.00 C ATOM 1209 CD1 TYR A 87 3.660 2.153 -13.175 1.00 0.00 C ATOM 1210 CD2 TYR A 87 4.798 3.871 -11.962 1.00 0.00 C ATOM 1211 CE1 TYR A 87 4.721 2.135 -14.147 1.00 0.00 C ATOM 1212 CE2 TYR A 87 5.860 3.853 -12.935 1.00 0.00 C ATOM 1213 CZ TYR A 87 5.769 2.987 -13.979 1.00 0.00 C ATOM 1214 OH TYR A 87 6.773 2.970 -14.898 1.00 0.00 O ATOM 0 H TYR A 87 1.703 5.571 -10.100 1.00 0.00 H new ATOM 0 HA TYR A 87 1.169 3.923 -12.484 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.002 3.337 -10.105 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.205 2.026 -10.952 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.816 1.488 -13.285 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.845 4.549 -11.123 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.686 1.461 -14.990 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.710 4.513 -12.837 1.00 0.00 H new ATOM 0 HH TYR A 87 6.427 3.266 -15.766 1.00 0.00 H new ATOM 1223 N TYR A 88 -0.392 2.453 -11.024 1.00 0.00 N ATOM 1224 CA TYR A 88 -1.577 1.949 -10.350 1.00 0.00 C ATOM 1225 C TYR A 88 -1.490 0.434 -10.148 1.00 0.00 C ATOM 1226 O TYR A 88 -0.936 -0.275 -10.986 1.00 0.00 O ATOM 1227 CB TYR A 88 -2.754 2.262 -11.275 1.00 0.00 C ATOM 1228 CG TYR A 88 -3.316 3.675 -11.112 1.00 0.00 C ATOM 1229 CD1 TYR A 88 -3.701 4.125 -9.865 1.00 0.00 C ATOM 1230 CD2 TYR A 88 -3.437 4.502 -12.210 1.00 0.00 C ATOM 1231 CE1 TYR A 88 -4.229 5.455 -9.710 1.00 0.00 C ATOM 1232 CE2 TYR A 88 -3.966 5.832 -12.056 1.00 0.00 C ATOM 1233 CZ TYR A 88 -4.336 6.243 -10.813 1.00 0.00 C ATOM 1234 OH TYR A 88 -4.836 7.500 -10.667 1.00 0.00 O ATOM 0 H TYR A 88 -0.072 1.884 -11.808 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.685 2.409 -9.368 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.436 2.126 -12.309 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.551 1.542 -11.089 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.606 3.479 -9.005 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.135 4.151 -13.186 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.533 5.819 -8.740 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.067 6.488 -12.908 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.619 7.837 -9.773 1.00 0.00 H new ATOM 1243 N PHE A 89 -2.046 -0.015 -9.034 1.00 0.00 N ATOM 1244 CA PHE A 89 -2.039 -1.432 -8.712 1.00 0.00 C ATOM 1245 C PHE A 89 -3.440 -1.915 -8.334 1.00 0.00 C ATOM 1246 O PHE A 89 -4.295 -1.117 -7.953 1.00 0.00 O ATOM 1247 CB PHE A 89 -1.109 -1.612 -7.510 1.00 0.00 C ATOM 1248 CG PHE A 89 0.232 -0.889 -7.646 1.00 0.00 C ATOM 1249 CD1 PHE A 89 1.185 -1.376 -8.486 1.00 0.00 C ATOM 1250 CD2 PHE A 89 0.473 0.240 -6.928 1.00 0.00 C ATOM 1251 CE1 PHE A 89 2.430 -0.706 -8.612 1.00 0.00 C ATOM 1252 CE2 PHE A 89 1.716 0.912 -7.055 1.00 0.00 C ATOM 1253 CZ PHE A 89 2.669 0.425 -7.894 1.00 0.00 C ATOM 0 H PHE A 89 -2.505 0.577 -8.342 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.706 -2.008 -9.575 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.615 -1.251 -6.615 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.923 -2.676 -7.364 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.994 -2.273 -9.057 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.283 0.626 -6.260 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.187 -1.094 -9.277 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.905 1.810 -6.486 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.616 0.936 -7.990 1.00 0.00 H new ATOM 1262 N ARG A 90 -3.633 -3.221 -8.454 1.00 0.00 N ATOM 1263 CA ARG A 90 -4.916 -3.821 -8.130 1.00 0.00 C ATOM 1264 C ARG A 90 -4.744 -5.309 -7.820 1.00 0.00 C ATOM 1265 O ARG A 90 -4.298 -6.077 -8.670 1.00 0.00 O ATOM 1266 CB ARG A 90 -5.907 -3.660 -9.286 1.00 0.00 C ATOM 1267 CG ARG A 90 -6.508 -2.253 -9.300 1.00 0.00 C ATOM 1268 CD ARG A 90 -7.852 -2.239 -10.031 1.00 0.00 C ATOM 1269 NE ARG A 90 -7.678 -2.723 -11.419 1.00 0.00 N ATOM 1270 CZ ARG A 90 -8.614 -2.621 -12.373 1.00 0.00 C ATOM 1271 NH1 ARG A 90 -9.794 -2.050 -12.096 1.00 0.00 N ATOM 1272 NH2 ARG A 90 -8.369 -3.088 -13.604 1.00 0.00 N ATOM 0 H ARG A 90 -2.922 -3.880 -8.771 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.310 -3.307 -7.253 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.402 -3.853 -10.232 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.703 -4.399 -9.193 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.642 -1.901 -8.277 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.818 -1.564 -9.787 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.568 -2.869 -9.504 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.261 -1.229 -10.038 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.790 -3.161 -11.665 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.980 -1.693 -11.159 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.506 -1.973 -12.822 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.470 -3.521 -13.816 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.081 -3.010 -14.330 1.00 0.00 H new ATOM 1283 N VAL A 91 -5.105 -5.671 -6.598 1.00 0.00 N ATOM 1284 CA VAL A 91 -4.996 -7.054 -6.164 1.00 0.00 C ATOM 1285 C VAL A 91 -6.349 -7.746 -6.334 1.00 0.00 C ATOM 1286 O VAL A 91 -7.385 -7.193 -5.966 1.00 0.00 O ATOM 1287 CB VAL A 91 -4.471 -7.111 -4.727 1.00 0.00 C ATOM 1288 CG1 VAL A 91 -4.448 -8.550 -4.210 1.00 0.00 C ATOM 1289 CG2 VAL A 91 -3.087 -6.469 -4.623 1.00 0.00 C ATOM 0 H VAL A 91 -5.473 -5.031 -5.894 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.277 -7.592 -6.781 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.153 -6.539 -4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.071 -8.563 -3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.458 -8.960 -4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.799 -9.154 -4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.737 -6.523 -3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.390 -7.000 -5.271 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.146 -5.425 -4.932 1.00 0.00 H new ATOM 1299 N PHE A 92 -6.298 -8.946 -6.892 1.00 0.00 N ATOM 1300 CA PHE A 92 -7.508 -9.720 -7.116 1.00 0.00 C ATOM 1301 C PHE A 92 -7.486 -11.017 -6.305 1.00 0.00 C ATOM 1302 O PHE A 92 -6.460 -11.692 -6.235 1.00 0.00 O ATOM 1303 CB PHE A 92 -7.550 -10.064 -8.607 1.00 0.00 C ATOM 1304 CG PHE A 92 -7.524 -8.843 -9.527 1.00 0.00 C ATOM 1305 CD1 PHE A 92 -6.365 -8.156 -9.715 1.00 0.00 C ATOM 1306 CD2 PHE A 92 -8.661 -8.443 -10.159 1.00 0.00 C ATOM 1307 CE1 PHE A 92 -6.341 -7.023 -10.570 1.00 0.00 C ATOM 1308 CE2 PHE A 92 -8.636 -7.310 -11.014 1.00 0.00 C ATOM 1309 CZ PHE A 92 -7.477 -6.624 -11.202 1.00 0.00 C ATOM 0 H PHE A 92 -5.438 -9.402 -7.196 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.381 -9.145 -6.807 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.701 -10.704 -8.846 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.452 -10.641 -8.811 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.462 -8.473 -9.213 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -9.582 -8.987 -10.010 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.421 -6.478 -10.719 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.538 -6.993 -11.516 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.459 -5.763 -11.853 1.00 0.00 H new ATOM 1318 N SER A 93 -8.631 -11.328 -5.716 1.00 0.00 N ATOM 1319 CA SER A 93 -8.757 -12.534 -4.913 1.00 0.00 C ATOM 1320 C SER A 93 -8.786 -13.765 -5.820 1.00 0.00 C ATOM 1321 O SER A 93 -9.806 -14.058 -6.441 1.00 0.00 O ATOM 1322 CB SER A 93 -10.013 -12.486 -4.041 1.00 0.00 C ATOM 1323 OG SER A 93 -9.942 -11.455 -3.059 1.00 0.00 O ATOM 0 H SER A 93 -9.480 -10.766 -5.778 1.00 0.00 H new ATOM 0 HA SER A 93 -7.892 -12.598 -4.253 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.887 -12.326 -4.672 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.149 -13.448 -3.547 1.00 0.00 H new ATOM 0 HG SER A 93 -10.723 -10.869 -3.143 1.00 0.00 H new ATOM 1328 N GLU A 94 -7.655 -14.453 -5.867 1.00 0.00 N ATOM 1329 CA GLU A 94 -7.539 -15.646 -6.688 1.00 0.00 C ATOM 1330 C GLU A 94 -8.059 -16.867 -5.926 1.00 0.00 C ATOM 1331 O GLU A 94 -8.007 -16.905 -4.698 1.00 0.00 O ATOM 1332 CB GLU A 94 -6.094 -15.859 -7.144 1.00 0.00 C ATOM 1333 CG GLU A 94 -5.999 -15.887 -8.671 1.00 0.00 C ATOM 1334 CD GLU A 94 -6.848 -17.019 -9.253 1.00 0.00 C ATOM 1335 OE1 GLU A 94 -6.908 -18.080 -8.595 1.00 0.00 O ATOM 1336 OE2 GLU A 94 -7.420 -16.797 -10.342 1.00 0.00 O ATOM 0 H GLU A 94 -6.811 -14.207 -5.350 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.151 -15.511 -7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.464 -15.061 -6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.714 -16.795 -6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.332 -14.932 -9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.959 -16.016 -8.972 1.00 0.00 H new ATOM 1341 N ASN A 95 -8.548 -17.835 -6.687 1.00 0.00 N ATOM 1342 CA ASN A 95 -9.077 -19.054 -6.100 1.00 0.00 C ATOM 1343 C ASN A 95 -9.296 -20.093 -7.201 1.00 0.00 C ATOM 1344 O ASN A 95 -8.959 -19.855 -8.360 1.00 0.00 O ATOM 1345 CB ASN A 95 -10.424 -18.797 -5.418 1.00 0.00 C ATOM 1346 CG ASN A 95 -11.476 -18.349 -6.434 1.00 0.00 C ATOM 1347 OD1 ASN A 95 -11.169 -17.895 -7.524 1.00 0.00 O ATOM 1348 ND2 ASN A 95 -12.730 -18.501 -6.017 1.00 0.00 N ATOM 0 H ASN A 95 -8.589 -17.800 -7.706 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.360 -19.411 -5.361 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.761 -19.704 -4.917 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.307 -18.033 -4.650 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.505 -18.231 -6.622 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.916 -18.888 -5.092 1.00 0.00 H new ATOM 1354 N MET A 96 -9.857 -21.224 -6.800 1.00 0.00 N ATOM 1355 CA MET A 96 -10.124 -22.302 -7.738 1.00 0.00 C ATOM 1356 C MET A 96 -11.523 -22.166 -8.344 1.00 0.00 C ATOM 1357 O MET A 96 -12.141 -23.162 -8.715 1.00 0.00 O ATOM 1358 CB MET A 96 -10.007 -23.647 -7.019 1.00 0.00 C ATOM 1359 CG MET A 96 -11.144 -23.830 -6.011 1.00 0.00 C ATOM 1360 SD MET A 96 -12.062 -25.314 -6.390 1.00 0.00 S ATOM 1361 CE MET A 96 -13.682 -24.832 -5.817 1.00 0.00 C ATOM 0 H MET A 96 -10.134 -21.418 -5.838 1.00 0.00 H new ATOM 0 HA MET A 96 -9.392 -22.247 -8.544 1.00 0.00 H new ATOM 0 HB2 MET A 96 -10.029 -24.457 -7.748 1.00 0.00 H new ATOM 0 HB3 MET A 96 -9.047 -23.707 -6.505 1.00 0.00 H new ATOM 0 HG2 MET A 96 -10.739 -23.891 -5.001 1.00 0.00 H new ATOM 0 HG3 MET A 96 -11.807 -22.965 -6.037 1.00 0.00 H new ATOM 0 HE1 MET A 96 -14.384 -25.650 -5.980 1.00 0.00 H new ATOM 0 HE2 MET A 96 -13.637 -24.599 -4.753 1.00 0.00 H new ATOM 0 HE3 MET A 96 -14.016 -23.952 -6.367 1.00 0.00 H new ATOM 1369 N CYS A 97 -11.980 -20.926 -8.427 1.00 0.00 N ATOM 1370 CA CYS A 97 -13.294 -20.647 -8.982 1.00 0.00 C ATOM 1371 C CYS A 97 -13.141 -19.574 -10.062 1.00 0.00 C ATOM 1372 O CYS A 97 -13.543 -19.778 -11.206 1.00 0.00 O ATOM 1373 CB CYS A 97 -14.289 -20.228 -7.898 1.00 0.00 C ATOM 1374 SG CYS A 97 -15.800 -21.254 -8.007 1.00 0.00 S ATOM 0 H CYS A 97 -11.464 -20.102 -8.119 1.00 0.00 H new ATOM 0 HA CYS A 97 -13.704 -21.554 -9.427 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -13.835 -20.338 -6.913 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -14.545 -19.175 -8.015 1.00 0.00 H new ATOM 0 HG CYS A 97 -16.638 -20.892 -7.081 1.00 0.00 H new ATOM 1379 N GLY A 98 -12.559 -18.453 -9.660 1.00 0.00 N ATOM 1380 CA GLY A 98 -12.349 -17.348 -10.579 1.00 0.00 C ATOM 1381 C GLY A 98 -12.091 -16.045 -9.820 1.00 0.00 C ATOM 1382 O GLY A 98 -12.819 -15.713 -8.884 1.00 0.00 O ATOM 0 H GLY A 98 -12.227 -18.287 -8.710 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.503 -17.568 -11.230 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -13.223 -17.233 -11.220 1.00 0.00 H new ATOM 1386 N LEU A 99 -11.054 -15.341 -10.251 1.00 0.00 N ATOM 1387 CA LEU A 99 -10.693 -14.082 -9.622 1.00 0.00 C ATOM 1388 C LEU A 99 -11.959 -13.263 -9.364 1.00 0.00 C ATOM 1389 O LEU A 99 -13.019 -13.562 -9.913 1.00 0.00 O ATOM 1390 CB LEU A 99 -9.646 -13.346 -10.462 1.00 0.00 C ATOM 1391 CG LEU A 99 -8.264 -13.998 -10.533 1.00 0.00 C ATOM 1392 CD1 LEU A 99 -8.057 -14.700 -11.877 1.00 0.00 C ATOM 1393 CD2 LEU A 99 -7.161 -12.979 -10.243 1.00 0.00 C ATOM 0 H LEU A 99 -10.453 -15.618 -11.027 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.226 -14.260 -8.653 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.030 -13.244 -11.477 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.531 -12.339 -10.062 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.207 -14.763 -9.758 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.067 -15.155 -11.901 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.815 -15.473 -12.004 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.142 -13.973 -12.684 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.189 -13.469 -10.300 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.206 -12.175 -10.978 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.301 -12.566 -9.244 1.00 0.00 H new ATOM 1404 N SER A 100 -11.808 -12.246 -8.528 1.00 0.00 N ATOM 1405 CA SER A 100 -12.926 -11.383 -8.189 1.00 0.00 C ATOM 1406 C SER A 100 -13.299 -10.515 -9.392 1.00 0.00 C ATOM 1407 O SER A 100 -12.427 -10.060 -10.129 1.00 0.00 O ATOM 1408 CB SER A 100 -12.597 -10.503 -6.982 1.00 0.00 C ATOM 1409 OG SER A 100 -11.268 -9.992 -7.040 1.00 0.00 O ATOM 0 H SER A 100 -10.928 -12.001 -8.075 1.00 0.00 H new ATOM 0 HA SER A 100 -13.776 -12.012 -7.924 1.00 0.00 H new ATOM 0 HB2 SER A 100 -13.303 -9.673 -6.935 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.723 -11.081 -6.067 1.00 0.00 H new ATOM 0 HG SER A 100 -11.294 -9.039 -7.268 1.00 0.00 H new ATOM 1414 N GLU A 101 -14.599 -10.311 -9.555 1.00 0.00 N ATOM 1415 CA GLU A 101 -15.098 -9.506 -10.656 1.00 0.00 C ATOM 1416 C GLU A 101 -14.450 -8.121 -10.636 1.00 0.00 C ATOM 1417 O GLU A 101 -14.244 -7.513 -11.686 1.00 0.00 O ATOM 1418 CB GLU A 101 -16.624 -9.398 -10.608 1.00 0.00 C ATOM 1419 CG GLU A 101 -17.262 -10.124 -11.793 1.00 0.00 C ATOM 1420 CD GLU A 101 -17.801 -9.127 -12.822 1.00 0.00 C ATOM 1421 OE1 GLU A 101 -16.967 -8.592 -13.583 1.00 0.00 O ATOM 1422 OE2 GLU A 101 -19.034 -8.924 -12.823 1.00 0.00 O ATOM 0 H GLU A 101 -15.321 -10.690 -8.942 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.830 -9.998 -11.591 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.993 -9.823 -9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -16.918 -8.349 -10.618 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.526 -10.776 -12.264 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -18.073 -10.761 -11.440 1.00 0.00 H new ATOM 1427 N ASP A 102 -14.147 -7.660 -9.432 1.00 0.00 N ATOM 1428 CA ASP A 102 -13.525 -6.358 -9.263 1.00 0.00 C ATOM 1429 C ASP A 102 -12.332 -6.486 -8.313 1.00 0.00 C ATOM 1430 O ASP A 102 -12.189 -7.494 -7.623 1.00 0.00 O ATOM 1431 CB ASP A 102 -14.508 -5.354 -8.655 1.00 0.00 C ATOM 1432 CG ASP A 102 -15.479 -5.941 -7.629 1.00 0.00 C ATOM 1433 OD1 ASP A 102 -15.116 -6.976 -7.031 1.00 0.00 O ATOM 1434 OD2 ASP A 102 -16.563 -5.339 -7.467 1.00 0.00 O ATOM 0 H ASP A 102 -14.321 -8.165 -8.563 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.209 -6.005 -10.245 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -13.940 -4.554 -8.179 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -15.085 -4.900 -9.461 1.00 0.00 H new ATOM 1438 N ALA A 103 -11.507 -5.450 -8.309 1.00 0.00 N ATOM 1439 CA ALA A 103 -10.331 -5.433 -7.455 1.00 0.00 C ATOM 1440 C ALA A 103 -10.274 -4.106 -6.697 1.00 0.00 C ATOM 1441 O ALA A 103 -10.755 -3.086 -7.188 1.00 0.00 O ATOM 1442 CB ALA A 103 -9.081 -5.674 -8.304 1.00 0.00 C ATOM 0 H ALA A 103 -11.629 -4.616 -8.883 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.383 -6.232 -6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.199 -5.661 -7.664 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.158 -6.643 -8.797 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.995 -4.890 -9.056 1.00 0.00 H new ATOM 1448 N THR A 104 -9.683 -4.163 -5.513 1.00 0.00 N ATOM 1449 CA THR A 104 -9.558 -2.977 -4.681 1.00 0.00 C ATOM 1450 C THR A 104 -8.253 -2.242 -4.994 1.00 0.00 C ATOM 1451 O THR A 104 -7.188 -2.632 -4.518 1.00 0.00 O ATOM 1452 CB THR A 104 -9.675 -3.411 -3.219 1.00 0.00 C ATOM 1453 OG1 THR A 104 -11.040 -3.799 -3.081 1.00 0.00 O ATOM 1454 CG2 THR A 104 -9.521 -2.240 -2.246 1.00 0.00 C ATOM 0 H THR A 104 -9.285 -5.011 -5.109 1.00 0.00 H new ATOM 0 HA THR A 104 -10.355 -2.263 -4.888 1.00 0.00 H new ATOM 0 HB THR A 104 -8.918 -4.165 -3.002 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.204 -4.097 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.612 -2.603 -1.222 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.542 -1.780 -2.382 1.00 0.00 H new ATOM 0 HG23 THR A 104 -10.299 -1.501 -2.440 1.00 0.00 H new ATOM 1462 N MET A 105 -8.379 -1.192 -5.792 1.00 0.00 N ATOM 1463 CA MET A 105 -7.224 -0.399 -6.174 1.00 0.00 C ATOM 1464 C MET A 105 -6.749 0.474 -5.009 1.00 0.00 C ATOM 1465 O MET A 105 -7.560 0.960 -4.224 1.00 0.00 O ATOM 1466 CB MET A 105 -7.585 0.491 -7.364 1.00 0.00 C ATOM 1467 CG MET A 105 -6.327 1.044 -8.038 1.00 0.00 C ATOM 1468 SD MET A 105 -6.539 2.780 -8.397 1.00 0.00 S ATOM 1469 CE MET A 105 -6.640 2.718 -10.177 1.00 0.00 C ATOM 0 H MET A 105 -9.264 -0.872 -6.185 1.00 0.00 H new ATOM 0 HA MET A 105 -6.416 -1.078 -6.449 1.00 0.00 H new ATOM 0 HB2 MET A 105 -8.167 -0.081 -8.087 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.214 1.315 -7.028 1.00 0.00 H new ATOM 0 HG2 MET A 105 -5.464 0.901 -7.388 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.127 0.496 -8.959 1.00 0.00 H new ATOM 0 HE1 MET A 105 -6.667 3.732 -10.575 1.00 0.00 H new ATOM 0 HE2 MET A 105 -5.769 2.196 -10.573 1.00 0.00 H new ATOM 0 HE3 MET A 105 -7.546 2.188 -10.472 1.00 0.00 H new ATOM 1477 N THR A 106 -5.437 0.645 -4.937 1.00 0.00 N ATOM 1478 CA THR A 106 -4.844 1.451 -3.883 1.00 0.00 C ATOM 1479 C THR A 106 -5.608 2.767 -3.726 1.00 0.00 C ATOM 1480 O THR A 106 -5.689 3.558 -4.664 1.00 0.00 O ATOM 1481 CB THR A 106 -3.362 1.642 -4.210 1.00 0.00 C ATOM 1482 OG1 THR A 106 -3.356 2.017 -5.586 1.00 0.00 O ATOM 1483 CG2 THR A 106 -2.581 0.327 -4.179 1.00 0.00 C ATOM 0 H THR A 106 -4.768 0.239 -5.591 1.00 0.00 H new ATOM 0 HA THR A 106 -4.915 0.953 -2.916 1.00 0.00 H new ATOM 0 HB THR A 106 -2.921 2.342 -3.501 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.139 2.969 -5.665 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.535 0.519 -4.418 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.651 -0.114 -3.185 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.000 -0.362 -4.912 1.00 0.00 H new ATOM 1491 N LYS A 107 -6.147 2.962 -2.531 1.00 0.00 N ATOM 1492 CA LYS A 107 -6.900 4.170 -2.238 1.00 0.00 C ATOM 1493 C LYS A 107 -6.196 5.371 -2.872 1.00 0.00 C ATOM 1494 O LYS A 107 -6.849 6.313 -3.319 1.00 0.00 O ATOM 1495 CB LYS A 107 -7.122 4.311 -0.731 1.00 0.00 C ATOM 1496 CG LYS A 107 -8.597 4.116 -0.373 1.00 0.00 C ATOM 1497 CD LYS A 107 -9.300 5.464 -0.197 1.00 0.00 C ATOM 1498 CE LYS A 107 -10.008 5.540 1.157 1.00 0.00 C ATOM 1499 NZ LYS A 107 -10.616 6.876 1.350 1.00 0.00 N ATOM 0 H LYS A 107 -6.077 2.304 -1.755 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.895 4.115 -2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.515 3.577 -0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.791 5.296 -0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.093 3.543 -1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.678 3.536 0.546 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.572 6.271 -0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.024 5.608 -0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.779 4.771 1.215 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -9.297 5.339 1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.092 6.910 2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.874 7.603 1.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.310 7.054 0.596 1.00 0.00 H new ATOM 1509 N GLU A 108 -4.874 5.299 -2.890 1.00 0.00 N ATOM 1510 CA GLU A 108 -4.073 6.369 -3.461 1.00 0.00 C ATOM 1511 C GLU A 108 -3.071 5.803 -4.469 1.00 0.00 C ATOM 1512 O GLU A 108 -2.726 4.623 -4.410 1.00 0.00 O ATOM 1513 CB GLU A 108 -3.360 7.165 -2.367 1.00 0.00 C ATOM 1514 CG GLU A 108 -4.366 7.783 -1.394 1.00 0.00 C ATOM 1515 CD GLU A 108 -3.891 9.156 -0.913 1.00 0.00 C ATOM 1516 OE1 GLU A 108 -3.172 9.182 0.108 1.00 0.00 O ATOM 1517 OE2 GLU A 108 -4.259 10.148 -1.579 1.00 0.00 O ATOM 0 H GLU A 108 -4.336 4.516 -2.518 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.739 7.053 -3.986 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.677 6.512 -1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.756 7.952 -2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.336 7.880 -1.881 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.504 7.122 -0.539 1.00 0.00 H new ATOM 1522 N SER A 109 -2.633 6.669 -5.371 1.00 0.00 N ATOM 1523 CA SER A 109 -1.677 6.270 -6.390 1.00 0.00 C ATOM 1524 C SER A 109 -0.270 6.210 -5.793 1.00 0.00 C ATOM 1525 O SER A 109 -0.069 6.558 -4.630 1.00 0.00 O ATOM 1526 CB SER A 109 -1.708 7.231 -7.581 1.00 0.00 C ATOM 1527 OG SER A 109 -1.564 8.589 -7.173 1.00 0.00 O ATOM 0 H SER A 109 -2.923 7.646 -5.417 1.00 0.00 H new ATOM 0 HA SER A 109 -1.954 5.279 -6.750 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.908 6.974 -8.276 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.648 7.112 -8.119 1.00 0.00 H new ATOM 0 HG SER A 109 -1.587 9.171 -7.961 1.00 0.00 H new ATOM 1532 N ALA A 110 0.668 5.764 -6.615 1.00 0.00 N ATOM 1533 CA ALA A 110 2.051 5.653 -6.183 1.00 0.00 C ATOM 1534 C ALA A 110 2.937 6.501 -7.097 1.00 0.00 C ATOM 1535 O ALA A 110 2.902 6.349 -8.318 1.00 0.00 O ATOM 1536 CB ALA A 110 2.466 4.180 -6.172 1.00 0.00 C ATOM 0 H ALA A 110 0.498 5.475 -7.578 1.00 0.00 H new ATOM 0 HA ALA A 110 2.167 6.032 -5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.503 4.097 -5.848 1.00 0.00 H new ATOM 0 HB2 ALA A 110 1.826 3.627 -5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.365 3.766 -7.175 1.00 0.00 H new ATOM 1542 N VAL A 111 3.710 7.377 -6.472 1.00 0.00 N ATOM 1543 CA VAL A 111 4.604 8.250 -7.215 1.00 0.00 C ATOM 1544 C VAL A 111 6.048 7.789 -7.009 1.00 0.00 C ATOM 1545 O VAL A 111 6.606 7.950 -5.924 1.00 0.00 O ATOM 1546 CB VAL A 111 4.375 9.705 -6.802 1.00 0.00 C ATOM 1547 CG1 VAL A 111 3.778 10.515 -7.954 1.00 0.00 C ATOM 1548 CG2 VAL A 111 3.492 9.791 -5.556 1.00 0.00 C ATOM 0 H VAL A 111 3.736 7.501 -5.460 1.00 0.00 H new ATOM 0 HA VAL A 111 4.395 8.193 -8.283 1.00 0.00 H new ATOM 0 HB VAL A 111 5.344 10.138 -6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.625 11.546 -7.633 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.460 10.497 -8.804 1.00 0.00 H new ATOM 0 HG13 VAL A 111 2.822 10.081 -8.247 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.346 10.837 -5.285 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.526 9.331 -5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 111 3.974 9.267 -4.731 1.00 0.00 H new ATOM 1558 N ILE A 112 6.612 7.225 -8.066 1.00 0.00 N ATOM 1559 CA ILE A 112 7.981 6.741 -8.014 1.00 0.00 C ATOM 1560 C ILE A 112 8.910 7.888 -7.614 1.00 0.00 C ATOM 1561 O ILE A 112 8.676 9.038 -7.984 1.00 0.00 O ATOM 1562 CB ILE A 112 8.363 6.073 -9.337 1.00 0.00 C ATOM 1563 CG1 ILE A 112 7.299 5.062 -9.769 1.00 0.00 C ATOM 1564 CG2 ILE A 112 9.754 5.440 -9.251 1.00 0.00 C ATOM 1565 CD1 ILE A 112 6.899 4.155 -8.604 1.00 0.00 C ATOM 0 H ILE A 112 6.146 7.092 -8.964 1.00 0.00 H new ATOM 0 HA ILE A 112 8.083 5.969 -7.251 1.00 0.00 H new ATOM 0 HB ILE A 112 8.407 6.843 -10.107 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.421 5.590 -10.142 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.680 4.457 -10.591 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.001 4.972 -10.204 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.491 6.210 -9.023 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.763 4.686 -8.464 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.142 3.446 -8.938 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.774 3.611 -8.250 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.496 4.761 -7.793 1.00 0.00 H new ATOM 1576 N ALA A 113 9.943 7.536 -6.864 1.00 0.00 N ATOM 1577 CA ALA A 113 10.908 8.523 -6.409 1.00 0.00 C ATOM 1578 C ALA A 113 12.122 7.807 -5.815 1.00 0.00 C ATOM 1579 O ALA A 113 12.000 6.700 -5.293 1.00 0.00 O ATOM 1580 CB ALA A 113 10.240 9.467 -5.407 1.00 0.00 C ATOM 0 H ALA A 113 10.133 6.581 -6.560 1.00 0.00 H new ATOM 0 HA ALA A 113 11.259 9.129 -7.244 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.964 10.207 -5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.402 9.973 -5.887 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.877 8.894 -4.554 1.00 0.00 H new