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 95 ASN : amide:sc= -1.12 K(o=-1.2,f=-2.5!) USER MOD Set 1.2: A 96 MET CE :methyl -126:sc= -0.0724 (180deg=-0.455) USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 75 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 62 MET CE :methyl -175:sc= -2.69! (180deg=-2.3!) USER MOD Set 3.2: A 105 MET CE :methyl -168:sc= -0.3 (180deg=-0.463) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.494 K(o=-0.49,f=-1.3) USER MOD Single : A 37 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 39 THR OG1 : rot 179:sc= -2.49 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -130:sc= -3.96! USER MOD Single : A 53 THR OG1 : rot -133:sc= 0.62 USER MOD Single : A 55 GLN : amide:sc= -1.27 K(o=-1.3,f=-3.6!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0811) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 12:sc= 0.806 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -1.43 F(o=-3.7!,f=-1.4) USER MOD Single : A 71 TYR OH : rot 176:sc= 0.33 USER MOD Single : A 72 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-2.9!) 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= -3.42! C(o=-3.4!,f=-3.2!) USER MOD Single : A 87 TYR OH : rot 13:sc= -5.41! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 122:sc= 1.22 USER MOD Single : A 97 CYS SG : rot 180:sc= -1.58 USER MOD Single : A 100 SER OG : rot 103:sc= 0.236 USER MOD Single : A 104 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 106 THR OG1 : rot 105:sc= 0.425 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 94:sc= 0.054 USER MOD ----------------------------------------------------------------- ATOM 223 N GLY A 19 -14.546 -12.306 -2.995 1.00 0.00 N ATOM 224 CA GLY A 19 -14.608 -10.874 -3.235 1.00 0.00 C ATOM 225 C GLY A 19 -13.207 -10.260 -3.252 1.00 0.00 C ATOM 226 O GLY A 19 -12.210 -10.978 -3.201 1.00 0.00 O ATOM 0 HA2 GLY A 19 -15.105 -10.682 -4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.208 -10.397 -2.460 1.00 0.00 H new ATOM 230 N PRO A 20 -13.176 -8.902 -3.325 1.00 0.00 N ATOM 231 CA PRO A 20 -11.914 -8.182 -3.350 1.00 0.00 C ATOM 232 C PRO A 20 -11.270 -8.157 -1.962 1.00 0.00 C ATOM 233 O PRO A 20 -11.875 -8.596 -0.985 1.00 0.00 O ATOM 234 CB PRO A 20 -12.261 -6.797 -3.869 1.00 0.00 C ATOM 235 CG PRO A 20 -13.760 -6.643 -3.676 1.00 0.00 C ATOM 236 CD PRO A 20 -14.337 -8.019 -3.386 1.00 0.00 C ATOM 0 HA PRO A 20 -11.171 -8.657 -3.990 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.716 -6.027 -3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.990 -6.694 -4.920 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.971 -5.960 -2.853 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.218 -6.218 -4.569 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.890 -8.027 -2.447 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.031 -8.330 -4.167 1.00 0.00 H new ATOM 241 N PRO A 21 -10.019 -7.625 -1.917 1.00 0.00 N ATOM 242 CA PRO A 21 -9.288 -7.536 -0.665 1.00 0.00 C ATOM 243 C PRO A 21 -9.836 -6.408 0.212 1.00 0.00 C ATOM 244 O PRO A 21 -10.232 -5.360 -0.295 1.00 0.00 O ATOM 245 CB PRO A 21 -7.839 -7.321 -1.071 1.00 0.00 C ATOM 246 CG PRO A 21 -7.876 -6.834 -2.511 1.00 0.00 C ATOM 247 CD PRO A 21 -9.272 -7.095 -3.054 1.00 0.00 C ATOM 0 HA PRO A 21 -9.389 -8.433 -0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.357 -6.589 -0.424 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.269 -8.246 -0.986 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.639 -5.771 -2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.129 -7.355 -3.110 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.726 -6.180 -3.434 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.249 -7.807 -3.879 1.00 0.00 H new ATOM 252 N GLN A 22 -9.842 -6.662 1.512 1.00 0.00 N ATOM 253 CA GLN A 22 -10.335 -5.683 2.464 1.00 0.00 C ATOM 254 C GLN A 22 -9.857 -4.281 2.079 1.00 0.00 C ATOM 255 O GLN A 22 -10.668 -3.376 1.884 1.00 0.00 O ATOM 256 CB GLN A 22 -9.903 -6.037 3.889 1.00 0.00 C ATOM 257 CG GLN A 22 -10.969 -6.878 4.591 1.00 0.00 C ATOM 258 CD GLN A 22 -11.060 -6.521 6.077 1.00 0.00 C ATOM 259 OE1 GLN A 22 -12.028 -5.944 6.545 1.00 0.00 O ATOM 260 NE2 GLN A 22 -9.999 -6.893 6.788 1.00 0.00 N ATOM 0 H GLN A 22 -9.513 -7.533 1.928 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.425 -5.695 2.436 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.961 -6.586 3.862 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.723 -5.124 4.456 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.936 -6.717 4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.732 -7.936 4.482 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.223 -7.373 6.333 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.962 -6.698 7.789 1.00 0.00 H new ATOM 267 N ILE A 23 -8.543 -4.145 1.980 1.00 0.00 N ATOM 268 CA ILE A 23 -7.947 -2.869 1.621 1.00 0.00 C ATOM 269 C ILE A 23 -6.605 -3.113 0.930 1.00 0.00 C ATOM 270 O ILE A 23 -5.989 -4.163 1.114 1.00 0.00 O ATOM 271 CB ILE A 23 -7.851 -1.958 2.847 1.00 0.00 C ATOM 272 CG1 ILE A 23 -7.983 -0.487 2.451 1.00 0.00 C ATOM 273 CG2 ILE A 23 -6.564 -2.227 3.630 1.00 0.00 C ATOM 274 CD1 ILE A 23 -7.209 0.413 3.414 1.00 0.00 C ATOM 0 H ILE A 23 -7.874 -4.898 2.142 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.581 -2.341 0.909 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.686 -2.188 3.509 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.610 -0.345 1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.035 -0.201 2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.520 -1.567 4.496 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.551 -3.265 3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.702 -2.042 2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.320 1.453 3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.600 0.287 4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.154 0.141 3.398 1.00 0.00 H new ATOM 285 N VAL A 24 -6.189 -2.128 0.149 1.00 0.00 N ATOM 286 CA VAL A 24 -4.931 -2.222 -0.571 1.00 0.00 C ATOM 287 C VAL A 24 -4.181 -0.893 -0.458 1.00 0.00 C ATOM 288 O VAL A 24 -4.633 0.124 -0.982 1.00 0.00 O ATOM 289 CB VAL A 24 -5.187 -2.643 -2.020 1.00 0.00 C ATOM 290 CG1 VAL A 24 -3.891 -2.625 -2.833 1.00 0.00 C ATOM 291 CG2 VAL A 24 -5.854 -4.019 -2.082 1.00 0.00 C ATOM 0 H VAL A 24 -6.702 -1.259 -0.001 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.296 -2.991 -0.130 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.871 -1.919 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.101 -2.928 -3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.474 -1.618 -2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.174 -3.316 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.025 -4.294 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.206 -4.759 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.807 -3.985 -1.555 1.00 0.00 H new ATOM 301 N LYS A 25 -3.050 -0.946 0.230 1.00 0.00 N ATOM 302 CA LYS A 25 -2.234 0.242 0.419 1.00 0.00 C ATOM 303 C LYS A 25 -0.813 -0.037 -0.076 1.00 0.00 C ATOM 304 O LYS A 25 -0.473 -1.178 -0.387 1.00 0.00 O ATOM 305 CB LYS A 25 -2.297 0.711 1.874 1.00 0.00 C ATOM 306 CG LYS A 25 -1.964 -0.434 2.834 1.00 0.00 C ATOM 307 CD LYS A 25 -1.258 0.089 4.086 1.00 0.00 C ATOM 308 CE LYS A 25 -2.045 -0.266 5.348 1.00 0.00 C ATOM 309 NZ LYS A 25 -1.341 -1.314 6.120 1.00 0.00 N ATOM 0 H LYS A 25 -2.679 -1.792 0.663 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.623 1.069 -0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.597 1.533 2.026 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.293 1.096 2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.879 -0.953 3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.328 -1.162 2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.256 -0.335 4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.142 1.171 4.018 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.175 0.623 5.965 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.042 -0.614 5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.889 -1.543 6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.239 -2.167 5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.399 -0.969 6.395 1.00 0.00 H new ATOM 319 N ILE A 26 -0.021 1.024 -0.132 1.00 0.00 N ATOM 320 CA ILE A 26 1.355 0.907 -0.583 1.00 0.00 C ATOM 321 C ILE A 26 2.296 1.158 0.597 1.00 0.00 C ATOM 322 O ILE A 26 2.443 2.294 1.048 1.00 0.00 O ATOM 323 CB ILE A 26 1.607 1.829 -1.778 1.00 0.00 C ATOM 324 CG1 ILE A 26 0.738 1.429 -2.972 1.00 0.00 C ATOM 325 CG2 ILE A 26 3.094 1.866 -2.139 1.00 0.00 C ATOM 326 CD1 ILE A 26 -0.121 2.606 -3.443 1.00 0.00 C ATOM 0 H ILE A 26 -0.306 1.968 0.127 1.00 0.00 H new ATOM 0 HA ILE A 26 1.555 -0.103 -0.942 1.00 0.00 H new ATOM 0 HB ILE A 26 1.319 2.841 -1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.372 1.087 -3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.096 0.593 -2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.245 2.528 -2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.666 2.234 -1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.431 0.862 -2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.729 2.296 -4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.771 2.930 -2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.525 3.431 -3.742 1.00 0.00 H new ATOM 337 N GLU A 27 2.911 0.080 1.063 1.00 0.00 N ATOM 338 CA GLU A 27 3.834 0.170 2.181 1.00 0.00 C ATOM 339 C GLU A 27 4.763 1.372 2.007 1.00 0.00 C ATOM 340 O GLU A 27 4.971 2.142 2.944 1.00 0.00 O ATOM 341 CB GLU A 27 4.635 -1.125 2.336 1.00 0.00 C ATOM 342 CG GLU A 27 4.481 -1.700 3.745 1.00 0.00 C ATOM 343 CD GLU A 27 5.622 -1.237 4.653 1.00 0.00 C ATOM 344 OE1 GLU A 27 5.669 -0.019 4.929 1.00 0.00 O ATOM 345 OE2 GLU A 27 6.420 -2.112 5.052 1.00 0.00 O ATOM 0 H GLU A 27 2.788 -0.860 0.686 1.00 0.00 H new ATOM 0 HA GLU A 27 3.256 0.312 3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.296 -1.856 1.602 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.688 -0.932 2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.526 -1.387 4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.468 -2.789 3.698 1.00 0.00 H new ATOM 350 N ASP A 28 5.299 1.497 0.801 1.00 0.00 N ATOM 351 CA ASP A 28 6.202 2.593 0.493 1.00 0.00 C ATOM 352 C ASP A 28 6.721 2.432 -0.938 1.00 0.00 C ATOM 353 O ASP A 28 6.416 1.445 -1.606 1.00 0.00 O ATOM 354 CB ASP A 28 7.406 2.596 1.436 1.00 0.00 C ATOM 355 CG ASP A 28 7.819 3.975 1.952 1.00 0.00 C ATOM 356 OD1 ASP A 28 7.225 4.964 1.470 1.00 0.00 O ATOM 357 OD2 ASP A 28 8.719 4.010 2.820 1.00 0.00 O ATOM 0 H ASP A 28 5.125 0.857 0.026 1.00 0.00 H new ATOM 0 HA ASP A 28 5.652 3.527 0.609 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.181 1.957 2.290 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.255 2.149 0.919 1.00 0.00 H new ATOM 361 N VAL A 29 7.497 3.417 -1.365 1.00 0.00 N ATOM 362 CA VAL A 29 8.061 3.398 -2.704 1.00 0.00 C ATOM 363 C VAL A 29 9.466 4.005 -2.669 1.00 0.00 C ATOM 364 O VAL A 29 9.643 5.144 -2.242 1.00 0.00 O ATOM 365 CB VAL A 29 7.124 4.117 -3.677 1.00 0.00 C ATOM 366 CG1 VAL A 29 6.512 5.361 -3.032 1.00 0.00 C ATOM 367 CG2 VAL A 29 7.851 4.473 -4.976 1.00 0.00 C ATOM 0 H VAL A 29 7.749 4.233 -0.808 1.00 0.00 H new ATOM 0 HA VAL A 29 8.157 2.373 -3.063 1.00 0.00 H new ATOM 0 HB VAL A 29 6.311 3.435 -3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.851 5.853 -3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.942 5.070 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.306 6.048 -2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.163 4.983 -5.650 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.693 5.128 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.215 3.562 -5.451 1.00 0.00 H new ATOM 377 N TRP A 30 10.428 3.215 -3.125 1.00 0.00 N ATOM 378 CA TRP A 30 11.810 3.659 -3.151 1.00 0.00 C ATOM 379 C TRP A 30 12.373 3.373 -4.545 1.00 0.00 C ATOM 380 O TRP A 30 11.952 2.423 -5.205 1.00 0.00 O ATOM 381 CB TRP A 30 12.620 3.000 -2.033 1.00 0.00 C ATOM 382 CG TRP A 30 12.661 1.473 -2.113 1.00 0.00 C ATOM 383 CD1 TRP A 30 13.664 0.695 -2.544 1.00 0.00 C ATOM 384 CD2 TRP A 30 11.608 0.563 -1.730 1.00 0.00 C ATOM 385 NE1 TRP A 30 13.336 -0.642 -2.468 1.00 0.00 N ATOM 386 CE2 TRP A 30 12.046 -0.726 -1.957 1.00 0.00 C ATOM 387 CE3 TRP A 30 10.328 0.820 -1.209 1.00 0.00 C ATOM 388 CZ2 TRP A 30 11.266 -1.859 -1.693 1.00 0.00 C ATOM 389 CZ3 TRP A 30 9.561 -0.322 -0.951 1.00 0.00 C ATOM 390 CH2 TRP A 30 9.987 -1.626 -1.174 1.00 0.00 C ATOM 0 H TRP A 30 10.277 2.270 -3.479 1.00 0.00 H new ATOM 0 HA TRP A 30 11.873 4.731 -2.963 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.640 3.383 -2.063 1.00 0.00 H new ATOM 0 HB3 TRP A 30 12.198 3.292 -1.071 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.611 1.069 -2.906 1.00 0.00 H new ATOM 0 HE1 TRP A 30 13.931 -1.426 -2.737 1.00 0.00 H new ATOM 0 HE3 TRP A 30 9.965 1.820 -1.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 11.631 -2.858 -1.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.568 -0.180 -0.550 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.334 -2.456 -0.948 1.00 0.00 H new ATOM 400 N GLY A 31 13.314 4.211 -4.953 1.00 0.00 N ATOM 401 CA GLY A 31 13.938 4.060 -6.256 1.00 0.00 C ATOM 402 C GLY A 31 12.911 3.644 -7.310 1.00 0.00 C ATOM 403 O GLY A 31 11.957 4.373 -7.574 1.00 0.00 O ATOM 0 H GLY A 31 13.660 4.998 -4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.406 4.999 -6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.730 3.313 -6.200 1.00 0.00 H new ATOM 407 N GLU A 32 13.142 2.472 -7.885 1.00 0.00 N ATOM 408 CA GLU A 32 12.248 1.950 -8.905 1.00 0.00 C ATOM 409 C GLU A 32 11.499 0.724 -8.377 1.00 0.00 C ATOM 410 O GLU A 32 11.101 -0.145 -9.151 1.00 0.00 O ATOM 411 CB GLU A 32 13.015 1.615 -10.185 1.00 0.00 C ATOM 412 CG GLU A 32 13.686 2.862 -10.765 1.00 0.00 C ATOM 413 CD GLU A 32 14.337 2.557 -12.116 1.00 0.00 C ATOM 414 OE1 GLU A 32 15.279 1.736 -12.120 1.00 0.00 O ATOM 415 OE2 GLU A 32 13.876 3.151 -13.115 1.00 0.00 O ATOM 0 H GLU A 32 13.935 1.870 -7.664 1.00 0.00 H new ATOM 0 HA GLU A 32 11.517 2.720 -9.150 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.769 0.857 -9.973 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.333 1.189 -10.921 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.947 3.655 -10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.440 3.231 -10.069 1.00 0.00 H new ATOM 420 N ASN A 33 11.331 0.694 -7.064 1.00 0.00 N ATOM 421 CA ASN A 33 10.636 -0.412 -6.424 1.00 0.00 C ATOM 422 C ASN A 33 9.516 0.139 -5.540 1.00 0.00 C ATOM 423 O ASN A 33 9.715 1.113 -4.814 1.00 0.00 O ATOM 424 CB ASN A 33 11.586 -1.219 -5.537 1.00 0.00 C ATOM 425 CG ASN A 33 12.836 -1.641 -6.312 1.00 0.00 C ATOM 426 OD1 ASN A 33 12.921 -2.729 -6.859 1.00 0.00 O ATOM 427 ND2 ASN A 33 13.798 -0.723 -6.329 1.00 0.00 N ATOM 0 H ASN A 33 11.663 1.416 -6.425 1.00 0.00 H new ATOM 0 HA ASN A 33 10.237 -1.058 -7.206 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.875 -0.623 -4.671 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.073 -2.103 -5.159 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.672 -0.909 -6.821 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.662 0.167 -5.850 1.00 0.00 H new ATOM 433 N VAL A 34 8.363 -0.508 -5.628 1.00 0.00 N ATOM 434 CA VAL A 34 7.211 -0.095 -4.845 1.00 0.00 C ATOM 435 C VAL A 34 6.825 -1.219 -3.882 1.00 0.00 C ATOM 436 O VAL A 34 7.093 -2.389 -4.150 1.00 0.00 O ATOM 437 CB VAL A 34 6.067 0.316 -5.774 1.00 0.00 C ATOM 438 CG1 VAL A 34 4.710 -0.015 -5.151 1.00 0.00 C ATOM 439 CG2 VAL A 34 6.159 1.800 -6.134 1.00 0.00 C ATOM 0 H VAL A 34 8.202 -1.316 -6.230 1.00 0.00 H new ATOM 0 HA VAL A 34 7.453 0.780 -4.242 1.00 0.00 H new ATOM 0 HB VAL A 34 6.161 -0.258 -6.696 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.914 0.287 -5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.645 -1.088 -4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.603 0.520 -4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.334 2.066 -6.795 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.103 2.399 -5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.105 1.994 -6.639 1.00 0.00 H new ATOM 449 N ALA A 35 6.203 -0.824 -2.781 1.00 0.00 N ATOM 450 CA ALA A 35 5.778 -1.784 -1.777 1.00 0.00 C ATOM 451 C ALA A 35 4.253 -1.755 -1.663 1.00 0.00 C ATOM 452 O ALA A 35 3.670 -0.723 -1.332 1.00 0.00 O ATOM 453 CB ALA A 35 6.467 -1.472 -0.447 1.00 0.00 C ATOM 0 H ALA A 35 5.983 0.148 -2.562 1.00 0.00 H new ATOM 0 HA ALA A 35 6.068 -2.794 -2.066 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.148 -2.193 0.306 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.548 -1.534 -0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.197 -0.466 -0.124 1.00 0.00 H new ATOM 459 N LEU A 36 3.647 -2.899 -1.944 1.00 0.00 N ATOM 460 CA LEU A 36 2.200 -3.018 -1.877 1.00 0.00 C ATOM 461 C LEU A 36 1.810 -3.731 -0.581 1.00 0.00 C ATOM 462 O LEU A 36 2.562 -4.564 -0.077 1.00 0.00 O ATOM 463 CB LEU A 36 1.660 -3.694 -3.138 1.00 0.00 C ATOM 464 CG LEU A 36 1.576 -2.815 -4.389 1.00 0.00 C ATOM 465 CD1 LEU A 36 1.427 -3.669 -5.649 1.00 0.00 C ATOM 466 CD2 LEU A 36 0.456 -1.782 -4.259 1.00 0.00 C ATOM 0 H LEU A 36 4.132 -3.753 -2.219 1.00 0.00 H new ATOM 0 HA LEU A 36 1.737 -2.031 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.291 -4.553 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.663 -4.079 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 36 2.511 -2.264 -4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.370 -3.021 -6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.288 -4.331 -5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.517 -4.265 -5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.418 -1.171 -5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.497 -2.294 -4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.648 -1.144 -3.396 1.00 0.00 H new ATOM 477 N THR A 37 0.636 -3.378 -0.080 1.00 0.00 N ATOM 478 CA THR A 37 0.137 -3.975 1.148 1.00 0.00 C ATOM 479 C THR A 37 -1.391 -4.033 1.130 1.00 0.00 C ATOM 480 O THR A 37 -2.057 -3.002 1.216 1.00 0.00 O ATOM 481 CB THR A 37 0.701 -3.176 2.325 1.00 0.00 C ATOM 482 OG1 THR A 37 0.736 -1.833 1.848 1.00 0.00 O ATOM 483 CG2 THR A 37 2.166 -3.508 2.610 1.00 0.00 C ATOM 0 H THR A 37 0.016 -2.687 -0.501 1.00 0.00 H new ATOM 0 HA THR A 37 0.469 -5.008 1.249 1.00 0.00 H new ATOM 0 HB THR A 37 0.105 -3.373 3.216 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.088 -1.246 2.549 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.516 -2.914 3.454 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.259 -4.567 2.849 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.768 -3.280 1.731 1.00 0.00 H new ATOM 491 N TRP A 38 -1.904 -5.249 1.017 1.00 0.00 N ATOM 492 CA TRP A 38 -3.342 -5.455 0.987 1.00 0.00 C ATOM 493 C TRP A 38 -3.710 -6.389 2.141 1.00 0.00 C ATOM 494 O TRP A 38 -2.902 -7.217 2.557 1.00 0.00 O ATOM 495 CB TRP A 38 -3.791 -5.985 -0.377 1.00 0.00 C ATOM 496 CG TRP A 38 -3.135 -7.308 -0.778 1.00 0.00 C ATOM 497 CD1 TRP A 38 -3.583 -8.552 -0.560 1.00 0.00 C ATOM 498 CD2 TRP A 38 -1.883 -7.469 -1.479 1.00 0.00 C ATOM 499 NE1 TRP A 38 -2.717 -9.498 -1.068 1.00 0.00 N ATOM 500 CE2 TRP A 38 -1.650 -8.818 -1.645 1.00 0.00 C ATOM 501 CE3 TRP A 38 -0.979 -6.505 -1.959 1.00 0.00 C ATOM 502 CZ2 TRP A 38 -0.517 -9.327 -2.290 1.00 0.00 C ATOM 503 CZ3 TRP A 38 0.149 -7.030 -2.602 1.00 0.00 C ATOM 504 CH2 TRP A 38 0.398 -8.386 -2.777 1.00 0.00 C ATOM 0 H TRP A 38 -1.349 -6.102 0.945 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.870 -4.511 1.121 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -4.873 -6.117 -0.366 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.569 -5.236 -1.137 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -4.506 -8.785 -0.050 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.837 -10.510 -1.028 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.142 -5.444 -1.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.357 -10.389 -2.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.877 -6.332 -2.989 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.293 -8.712 -3.286 1.00 0.00 H new ATOM 514 N THR A 39 -4.932 -6.224 2.627 1.00 0.00 N ATOM 515 CA THR A 39 -5.417 -7.041 3.726 1.00 0.00 C ATOM 516 C THR A 39 -6.159 -8.267 3.191 1.00 0.00 C ATOM 517 O THR A 39 -6.564 -8.295 2.029 1.00 0.00 O ATOM 518 CB THR A 39 -6.279 -6.156 4.629 1.00 0.00 C ATOM 519 OG1 THR A 39 -7.109 -5.438 3.722 1.00 0.00 O ATOM 520 CG2 THR A 39 -5.464 -5.068 5.331 1.00 0.00 C ATOM 0 H THR A 39 -5.600 -5.536 2.279 1.00 0.00 H new ATOM 0 HA THR A 39 -4.592 -7.432 4.322 1.00 0.00 H new ATOM 0 HB THR A 39 -6.777 -6.775 5.375 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.713 -4.852 4.225 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.123 -4.468 5.959 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.695 -5.531 5.950 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.992 -4.428 4.585 1.00 0.00 H new ATOM 528 N PRO A 40 -6.319 -9.278 4.086 1.00 0.00 N ATOM 529 CA PRO A 40 -7.005 -10.505 3.717 1.00 0.00 C ATOM 530 C PRO A 40 -8.518 -10.285 3.641 1.00 0.00 C ATOM 531 O PRO A 40 -9.016 -9.234 4.039 1.00 0.00 O ATOM 532 CB PRO A 40 -6.604 -11.516 4.778 1.00 0.00 C ATOM 533 CG PRO A 40 -6.086 -10.702 5.953 1.00 0.00 C ATOM 534 CD PRO A 40 -5.853 -9.281 5.471 1.00 0.00 C ATOM 0 HA PRO A 40 -6.727 -10.860 2.724 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.454 -12.131 5.073 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.836 -12.193 4.403 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.805 -10.714 6.772 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.160 -11.131 6.336 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.405 -8.562 6.076 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.799 -9.009 5.535 1.00 0.00 H new ATOM 539 N PRO A 41 -9.224 -11.322 3.115 1.00 0.00 N ATOM 540 CA PRO A 41 -10.669 -11.253 2.983 1.00 0.00 C ATOM 541 C PRO A 41 -11.353 -11.431 4.340 1.00 0.00 C ATOM 542 O PRO A 41 -10.924 -12.251 5.151 1.00 0.00 O ATOM 543 CB PRO A 41 -11.025 -12.347 1.990 1.00 0.00 C ATOM 544 CG PRO A 41 -9.831 -13.286 1.958 1.00 0.00 C ATOM 545 CD PRO A 41 -8.666 -12.583 2.634 1.00 0.00 C ATOM 0 HA PRO A 41 -11.013 -10.282 2.627 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.928 -12.874 2.297 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.220 -11.929 1.002 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.065 -14.218 2.473 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.576 -13.544 0.930 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.267 -13.178 3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.847 -12.413 1.936 1.00 0.00 H new ATOM 550 N LYS A 42 -12.404 -10.652 4.544 1.00 0.00 N ATOM 551 CA LYS A 42 -13.151 -10.713 5.788 1.00 0.00 C ATOM 552 C LYS A 42 -14.270 -11.748 5.656 1.00 0.00 C ATOM 553 O LYS A 42 -14.920 -12.094 6.641 1.00 0.00 O ATOM 554 CB LYS A 42 -13.646 -9.321 6.185 1.00 0.00 C ATOM 555 CG LYS A 42 -13.240 -8.983 7.621 1.00 0.00 C ATOM 556 CD LYS A 42 -14.087 -7.837 8.177 1.00 0.00 C ATOM 557 CE LYS A 42 -15.473 -8.333 8.595 1.00 0.00 C ATOM 558 NZ LYS A 42 -16.476 -7.255 8.448 1.00 0.00 N ATOM 0 H LYS A 42 -12.756 -9.974 3.868 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.506 -11.042 6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.235 -8.577 5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.731 -9.276 6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.356 -9.864 8.252 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.186 -8.707 7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.583 -7.390 9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.188 -7.056 7.424 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.759 -9.189 7.984 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.447 -8.674 9.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.411 -7.609 8.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.210 -6.449 9.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.513 -6.948 7.455 1.00 0.00 H new ATOM 630 N ILE A 49 -9.039 -19.458 -0.238 1.00 0.00 N ATOM 631 CA ILE A 49 -8.154 -18.521 -0.908 1.00 0.00 C ATOM 632 C ILE A 49 -6.907 -19.264 -1.395 1.00 0.00 C ATOM 633 O ILE A 49 -6.086 -19.701 -0.590 1.00 0.00 O ATOM 634 CB ILE A 49 -7.844 -17.332 0.003 1.00 0.00 C ATOM 635 CG1 ILE A 49 -9.132 -16.657 0.480 1.00 0.00 C ATOM 636 CG2 ILE A 49 -6.900 -16.344 -0.686 1.00 0.00 C ATOM 637 CD1 ILE A 49 -9.806 -15.893 -0.661 1.00 0.00 C ATOM 0 HA ILE A 49 -8.640 -18.100 -1.788 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.329 -17.705 0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -9.816 -17.409 0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.907 -15.972 1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.696 -15.508 -0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.965 -16.847 -0.934 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.365 -15.972 -1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.719 -15.423 -0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.128 -15.126 -1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.052 -16.585 -1.467 1.00 0.00 H new ATOM 648 N THR A 50 -6.806 -19.383 -2.710 1.00 0.00 N ATOM 649 CA THR A 50 -5.673 -20.064 -3.314 1.00 0.00 C ATOM 650 C THR A 50 -4.448 -19.148 -3.336 1.00 0.00 C ATOM 651 O THR A 50 -3.323 -19.604 -3.136 1.00 0.00 O ATOM 652 CB THR A 50 -6.096 -20.544 -4.704 1.00 0.00 C ATOM 653 OG1 THR A 50 -7.062 -21.559 -4.442 1.00 0.00 O ATOM 654 CG2 THR A 50 -4.973 -21.280 -5.438 1.00 0.00 C ATOM 0 H THR A 50 -7.489 -19.020 -3.374 1.00 0.00 H new ATOM 0 HA THR A 50 -5.378 -20.935 -2.728 1.00 0.00 H new ATOM 0 HB THR A 50 -6.419 -19.690 -5.299 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.391 -21.924 -5.290 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.327 -21.599 -6.418 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.119 -20.613 -5.559 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.672 -22.153 -4.860 1.00 0.00 H new ATOM 662 N GLY A 51 -4.708 -17.871 -3.579 1.00 0.00 N ATOM 663 CA GLY A 51 -3.641 -16.887 -3.629 1.00 0.00 C ATOM 664 C GLY A 51 -4.195 -15.491 -3.923 1.00 0.00 C ATOM 665 O GLY A 51 -5.296 -15.153 -3.492 1.00 0.00 O ATOM 0 H GLY A 51 -5.642 -17.496 -3.743 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.106 -16.877 -2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.920 -17.166 -4.398 1.00 0.00 H new ATOM 669 N TYR A 52 -3.407 -14.719 -4.657 1.00 0.00 N ATOM 670 CA TYR A 52 -3.806 -13.368 -5.014 1.00 0.00 C ATOM 671 C TYR A 52 -2.964 -12.837 -6.177 1.00 0.00 C ATOM 672 O TYR A 52 -1.736 -12.823 -6.103 1.00 0.00 O ATOM 673 CB TYR A 52 -3.541 -12.510 -3.775 1.00 0.00 C ATOM 674 CG TYR A 52 -4.408 -12.875 -2.568 1.00 0.00 C ATOM 675 CD1 TYR A 52 -5.686 -12.368 -2.457 1.00 0.00 C ATOM 676 CD2 TYR A 52 -3.909 -13.712 -1.590 1.00 0.00 C ATOM 677 CE1 TYR A 52 -6.501 -12.713 -1.321 1.00 0.00 C ATOM 678 CE2 TYR A 52 -4.724 -14.056 -0.454 1.00 0.00 C ATOM 679 CZ TYR A 52 -5.980 -13.540 -0.375 1.00 0.00 C ATOM 680 OH TYR A 52 -6.749 -13.865 0.698 1.00 0.00 O ATOM 0 H TYR A 52 -2.495 -15.003 -5.014 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.851 -13.345 -5.324 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.491 -12.605 -3.497 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.710 -11.463 -4.028 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.075 -11.712 -3.222 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.908 -14.108 -1.677 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.504 -12.324 -1.222 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.346 -14.709 0.318 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.240 -13.718 1.522 1.00 0.00 H new ATOM 689 N THR A 53 -3.658 -12.414 -7.222 1.00 0.00 N ATOM 690 CA THR A 53 -2.990 -11.884 -8.399 1.00 0.00 C ATOM 691 C THR A 53 -2.801 -10.371 -8.268 1.00 0.00 C ATOM 692 O THR A 53 -3.593 -9.697 -7.612 1.00 0.00 O ATOM 693 CB THR A 53 -3.806 -12.290 -9.628 1.00 0.00 C ATOM 694 OG1 THR A 53 -3.583 -13.692 -9.745 1.00 0.00 O ATOM 695 CG2 THR A 53 -3.235 -11.714 -10.926 1.00 0.00 C ATOM 0 H THR A 53 -4.676 -12.427 -7.279 1.00 0.00 H new ATOM 0 HA THR A 53 -1.987 -12.298 -8.505 1.00 0.00 H new ATOM 0 HB THR A 53 -4.837 -11.958 -9.505 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.362 -13.912 -10.674 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.851 -12.032 -11.767 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.231 -10.625 -10.870 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.216 -12.074 -11.066 1.00 0.00 H new ATOM 703 N ILE A 54 -1.745 -9.883 -8.904 1.00 0.00 N ATOM 704 CA ILE A 54 -1.441 -8.463 -8.867 1.00 0.00 C ATOM 705 C ILE A 54 -1.136 -7.974 -10.284 1.00 0.00 C ATOM 706 O ILE A 54 -0.557 -8.705 -11.086 1.00 0.00 O ATOM 707 CB ILE A 54 -0.321 -8.180 -7.865 1.00 0.00 C ATOM 708 CG1 ILE A 54 -0.736 -8.586 -6.449 1.00 0.00 C ATOM 709 CG2 ILE A 54 0.123 -6.717 -7.934 1.00 0.00 C ATOM 710 CD1 ILE A 54 0.150 -9.716 -5.919 1.00 0.00 C ATOM 0 H ILE A 54 -1.090 -10.446 -9.447 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.304 -7.899 -8.513 1.00 0.00 H new ATOM 0 HB ILE A 54 0.540 -8.790 -8.137 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.668 -7.724 -5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.778 -8.906 -6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.920 -6.544 -7.211 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.488 -6.494 -8.937 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.723 -6.069 -7.704 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.167 -9.985 -4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.061 -10.585 -6.571 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.188 -9.384 -5.897 1.00 0.00 H new ATOM 721 N GLN A 55 -1.539 -6.739 -10.549 1.00 0.00 N ATOM 722 CA GLN A 55 -1.315 -6.144 -11.857 1.00 0.00 C ATOM 723 C GLN A 55 -0.998 -4.654 -11.714 1.00 0.00 C ATOM 724 O GLN A 55 -1.554 -3.978 -10.849 1.00 0.00 O ATOM 725 CB GLN A 55 -2.521 -6.364 -12.772 1.00 0.00 C ATOM 726 CG GLN A 55 -2.741 -7.853 -13.042 1.00 0.00 C ATOM 727 CD GLN A 55 -3.521 -8.065 -14.341 1.00 0.00 C ATOM 728 OE1 GLN A 55 -3.905 -7.131 -15.024 1.00 0.00 O ATOM 729 NE2 GLN A 55 -3.731 -9.343 -14.644 1.00 0.00 N ATOM 0 H GLN A 55 -2.019 -6.135 -9.882 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.458 -6.635 -12.317 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.413 -5.939 -12.312 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.367 -5.839 -13.715 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.779 -8.361 -13.104 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.284 -8.301 -12.210 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.382 -10.077 -14.028 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.241 -9.589 -15.492 1.00 0.00 H new ATOM 736 N LYS A 56 -0.106 -4.187 -12.575 1.00 0.00 N ATOM 737 CA LYS A 56 0.291 -2.789 -12.556 1.00 0.00 C ATOM 738 C LYS A 56 -0.214 -2.103 -13.827 1.00 0.00 C ATOM 739 O LYS A 56 -0.243 -2.711 -14.895 1.00 0.00 O ATOM 740 CB LYS A 56 1.802 -2.665 -12.348 1.00 0.00 C ATOM 741 CG LYS A 56 2.561 -2.997 -13.633 1.00 0.00 C ATOM 742 CD LYS A 56 4.038 -3.271 -13.342 1.00 0.00 C ATOM 743 CE LYS A 56 4.689 -4.049 -14.488 1.00 0.00 C ATOM 744 NZ LYS A 56 6.087 -3.608 -14.686 1.00 0.00 N ATOM 0 H LYS A 56 0.353 -4.751 -13.290 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.167 -2.273 -11.712 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.047 -1.652 -12.028 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.119 -3.337 -11.550 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.113 -3.869 -14.109 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.473 -2.169 -14.336 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.564 -2.328 -13.193 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.131 -3.837 -12.415 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.666 -5.117 -14.270 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.121 -3.899 -15.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.513 -4.146 -15.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.102 -2.594 -14.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.630 -3.774 -13.815 1.00 0.00 H new ATOM 754 N ALA A 57 -0.598 -0.845 -13.669 1.00 0.00 N ATOM 755 CA ALA A 57 -1.099 -0.069 -14.790 1.00 0.00 C ATOM 756 C ALA A 57 -0.434 1.309 -14.790 1.00 0.00 C ATOM 757 O ALA A 57 -0.292 1.933 -13.740 1.00 0.00 O ATOM 758 CB ALA A 57 -2.624 0.020 -14.708 1.00 0.00 C ATOM 0 H ALA A 57 -0.572 -0.344 -12.781 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.850 -0.554 -15.734 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.000 0.602 -15.549 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.049 -0.983 -14.742 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.911 0.504 -13.774 1.00 0.00 H new ATOM 764 N ASP A 58 -0.044 1.742 -15.980 1.00 0.00 N ATOM 765 CA ASP A 58 0.603 3.035 -16.130 1.00 0.00 C ATOM 766 C ASP A 58 -0.464 4.120 -16.286 1.00 0.00 C ATOM 767 O ASP A 58 -1.640 3.815 -16.481 1.00 0.00 O ATOM 768 CB ASP A 58 1.493 3.064 -17.374 1.00 0.00 C ATOM 769 CG ASP A 58 2.995 3.129 -17.094 1.00 0.00 C ATOM 770 OD1 ASP A 58 3.440 4.200 -16.629 1.00 0.00 O ATOM 771 OD2 ASP A 58 3.665 2.105 -17.352 1.00 0.00 O ATOM 0 H ASP A 58 -0.163 1.221 -16.849 1.00 0.00 H new ATOM 0 HA ASP A 58 1.214 3.211 -15.245 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.288 2.174 -17.969 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.214 3.925 -17.981 1.00 0.00 H new ATOM 775 N LYS A 59 -0.016 5.363 -16.195 1.00 0.00 N ATOM 776 CA LYS A 59 -0.917 6.495 -16.323 1.00 0.00 C ATOM 777 C LYS A 59 -0.978 6.930 -17.788 1.00 0.00 C ATOM 778 O LYS A 59 -1.319 8.073 -18.086 1.00 0.00 O ATOM 779 CB LYS A 59 -0.510 7.616 -15.365 1.00 0.00 C ATOM 780 CG LYS A 59 -1.568 7.820 -14.279 1.00 0.00 C ATOM 781 CD LYS A 59 -2.761 8.613 -14.816 1.00 0.00 C ATOM 782 CE LYS A 59 -2.680 10.081 -14.390 1.00 0.00 C ATOM 783 NZ LYS A 59 -1.882 10.861 -15.362 1.00 0.00 N ATOM 0 H LYS A 59 0.960 5.611 -16.034 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.928 6.211 -16.032 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.448 7.375 -14.904 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.372 8.543 -15.922 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.907 6.852 -13.910 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.128 8.347 -13.432 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.786 8.547 -15.904 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.689 8.175 -14.449 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.684 10.500 -14.316 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.230 10.154 -13.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.949 11.873 -15.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.887 10.561 -15.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.248 10.698 -16.322 1.00 0.00 H new ATOM 793 N LYS A 60 -0.643 5.995 -18.665 1.00 0.00 N ATOM 794 CA LYS A 60 -0.655 6.266 -20.091 1.00 0.00 C ATOM 795 C LYS A 60 -1.892 5.623 -20.719 1.00 0.00 C ATOM 796 O LYS A 60 -2.544 6.224 -21.572 1.00 0.00 O ATOM 797 CB LYS A 60 0.662 5.821 -20.733 1.00 0.00 C ATOM 798 CG LYS A 60 1.844 6.604 -20.159 1.00 0.00 C ATOM 799 CD LYS A 60 2.792 5.680 -19.389 1.00 0.00 C ATOM 800 CE LYS A 60 4.221 5.798 -19.920 1.00 0.00 C ATOM 801 NZ LYS A 60 4.596 4.581 -20.675 1.00 0.00 N ATOM 0 H LYS A 60 -0.361 5.047 -18.414 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.726 7.338 -20.273 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.811 4.755 -20.564 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.613 5.969 -21.812 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.386 7.096 -20.967 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.478 7.389 -19.497 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.772 5.933 -18.329 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.451 4.648 -19.477 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.305 6.673 -20.565 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.912 5.946 -19.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.569 4.678 -21.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.536 3.752 -20.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.947 4.457 -21.478 1.00 0.00 H new ATOM 811 N SER A 61 -2.181 4.410 -20.272 1.00 0.00 N ATOM 812 CA SER A 61 -3.329 3.678 -20.779 1.00 0.00 C ATOM 813 C SER A 61 -4.159 3.133 -19.614 1.00 0.00 C ATOM 814 O SER A 61 -5.388 3.178 -19.648 1.00 0.00 O ATOM 815 CB SER A 61 -2.893 2.537 -21.699 1.00 0.00 C ATOM 816 OG SER A 61 -2.730 2.970 -23.048 1.00 0.00 O ATOM 0 H SER A 61 -1.639 3.915 -19.563 1.00 0.00 H new ATOM 0 HA SER A 61 -3.941 4.365 -21.363 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.954 2.118 -21.337 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.634 1.738 -21.662 1.00 0.00 H new ATOM 0 HG SER A 61 -2.450 2.213 -23.603 1.00 0.00 H new ATOM 821 N MET A 62 -3.453 2.633 -18.610 1.00 0.00 N ATOM 822 CA MET A 62 -4.109 2.081 -17.437 1.00 0.00 C ATOM 823 C MET A 62 -4.912 0.829 -17.796 1.00 0.00 C ATOM 824 O MET A 62 -5.901 0.511 -17.138 1.00 0.00 O ATOM 825 CB MET A 62 -5.044 3.130 -16.832 1.00 0.00 C ATOM 826 CG MET A 62 -4.398 3.805 -15.619 1.00 0.00 C ATOM 827 SD MET A 62 -5.661 4.494 -14.561 1.00 0.00 S ATOM 828 CE MET A 62 -6.057 3.059 -13.577 1.00 0.00 C ATOM 0 H MET A 62 -2.434 2.599 -18.585 1.00 0.00 H new ATOM 0 HA MET A 62 -3.343 1.804 -16.713 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.289 3.881 -17.583 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.981 2.659 -16.535 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.802 3.081 -15.064 1.00 0.00 H new ATOM 0 HG3 MET A 62 -3.719 4.591 -15.948 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.896 3.289 -12.920 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.326 2.231 -14.233 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.191 2.779 -12.977 1.00 0.00 H new ATOM 836 N GLU A 63 -4.456 0.152 -18.841 1.00 0.00 N ATOM 837 CA GLU A 63 -5.120 -1.058 -19.296 1.00 0.00 C ATOM 838 C GLU A 63 -4.609 -2.270 -18.514 1.00 0.00 C ATOM 839 O GLU A 63 -4.937 -3.409 -18.843 1.00 0.00 O ATOM 840 CB GLU A 63 -4.930 -1.255 -20.800 1.00 0.00 C ATOM 841 CG GLU A 63 -6.056 -0.584 -21.589 1.00 0.00 C ATOM 842 CD GLU A 63 -6.816 -1.608 -22.436 1.00 0.00 C ATOM 843 OE1 GLU A 63 -7.739 -2.237 -21.875 1.00 0.00 O ATOM 844 OE2 GLU A 63 -6.458 -1.737 -23.627 1.00 0.00 O ATOM 0 H GLU A 63 -3.635 0.419 -19.385 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.189 -0.955 -19.109 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.970 -0.840 -21.106 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.905 -2.320 -21.030 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.744 -0.093 -20.901 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.642 0.191 -22.234 1.00 0.00 H new ATOM 849 N TRP A 64 -3.813 -1.982 -17.494 1.00 0.00 N ATOM 850 CA TRP A 64 -3.253 -3.035 -16.663 1.00 0.00 C ATOM 851 C TRP A 64 -2.623 -4.081 -17.586 1.00 0.00 C ATOM 852 O TRP A 64 -2.604 -3.909 -18.803 1.00 0.00 O ATOM 853 CB TRP A 64 -4.315 -3.622 -15.732 1.00 0.00 C ATOM 854 CG TRP A 64 -5.103 -2.572 -14.947 1.00 0.00 C ATOM 855 CD1 TRP A 64 -6.231 -1.944 -15.311 1.00 0.00 C ATOM 856 CD2 TRP A 64 -4.777 -2.050 -13.642 1.00 0.00 C ATOM 857 NE1 TRP A 64 -6.652 -1.059 -14.339 1.00 0.00 N ATOM 858 CE2 TRP A 64 -5.740 -1.125 -13.293 1.00 0.00 C ATOM 859 CE3 TRP A 64 -3.703 -2.349 -12.784 1.00 0.00 C ATOM 860 CZ2 TRP A 64 -5.726 -0.424 -12.081 1.00 0.00 C ATOM 861 CZ3 TRP A 64 -3.703 -1.640 -11.577 1.00 0.00 C ATOM 862 CH2 TRP A 64 -4.665 -0.706 -11.211 1.00 0.00 C ATOM 0 H TRP A 64 -3.543 -1.036 -17.224 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.479 -2.638 -16.007 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.011 -4.218 -16.322 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.832 -4.300 -15.028 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.745 -2.110 -16.246 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.481 -0.466 -14.381 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.939 -3.069 -13.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.492 0.295 -11.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -2.899 -1.832 -10.882 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.595 -0.200 -10.260 1.00 0.00 H new ATOM 872 N PHE A 65 -2.122 -5.141 -16.969 1.00 0.00 N ATOM 873 CA PHE A 65 -1.493 -6.215 -17.720 1.00 0.00 C ATOM 874 C PHE A 65 -1.263 -7.442 -16.835 1.00 0.00 C ATOM 875 O PHE A 65 -2.130 -8.309 -16.734 1.00 0.00 O ATOM 876 CB PHE A 65 -0.140 -5.689 -18.203 1.00 0.00 C ATOM 877 CG PHE A 65 -0.215 -4.865 -19.490 1.00 0.00 C ATOM 878 CD1 PHE A 65 -0.558 -5.464 -20.662 1.00 0.00 C ATOM 879 CD2 PHE A 65 0.059 -3.533 -19.463 1.00 0.00 C ATOM 880 CE1 PHE A 65 -0.628 -4.700 -21.856 1.00 0.00 C ATOM 881 CE2 PHE A 65 -0.011 -2.769 -20.656 1.00 0.00 C ATOM 882 CZ PHE A 65 -0.353 -3.367 -21.828 1.00 0.00 C ATOM 0 H PHE A 65 -2.139 -5.279 -15.959 1.00 0.00 H new ATOM 0 HA PHE A 65 -2.134 -6.514 -18.550 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.301 -5.076 -17.417 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.530 -6.534 -18.363 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.777 -6.521 -20.684 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.330 -3.057 -18.532 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.899 -5.176 -22.787 1.00 0.00 H new ATOM 0 HE2 PHE A 65 0.208 -1.712 -20.633 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.406 -2.785 -22.736 1.00 0.00 H new ATOM 891 N THR A 66 -0.092 -7.475 -16.216 1.00 0.00 N ATOM 892 CA THR A 66 0.262 -8.581 -15.343 1.00 0.00 C ATOM 893 C THR A 66 1.498 -8.230 -14.512 1.00 0.00 C ATOM 894 O THR A 66 2.341 -7.447 -14.948 1.00 0.00 O ATOM 895 CB THR A 66 0.447 -9.827 -16.210 1.00 0.00 C ATOM 896 OG1 THR A 66 -0.879 -10.314 -16.406 1.00 0.00 O ATOM 897 CG2 THR A 66 1.154 -10.960 -15.464 1.00 0.00 C ATOM 0 H THR A 66 0.624 -6.753 -16.302 1.00 0.00 H new ATOM 0 HA THR A 66 -0.529 -8.784 -14.621 1.00 0.00 H new ATOM 0 HB THR A 66 1.019 -9.567 -17.101 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.523 -9.636 -16.112 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.260 -11.820 -16.125 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.141 -10.625 -15.144 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.566 -11.243 -14.591 1.00 0.00 H new ATOM 905 N VAL A 67 1.566 -8.825 -13.331 1.00 0.00 N ATOM 906 CA VAL A 67 2.685 -8.586 -12.436 1.00 0.00 C ATOM 907 C VAL A 67 3.041 -9.886 -11.711 1.00 0.00 C ATOM 908 O VAL A 67 4.211 -10.255 -11.631 1.00 0.00 O ATOM 909 CB VAL A 67 2.352 -7.440 -11.477 1.00 0.00 C ATOM 910 CG1 VAL A 67 3.386 -7.347 -10.353 1.00 0.00 C ATOM 911 CG2 VAL A 67 2.240 -6.112 -12.229 1.00 0.00 C ATOM 0 H VAL A 67 0.864 -9.473 -12.973 1.00 0.00 H new ATOM 0 HA VAL A 67 3.565 -8.277 -13.000 1.00 0.00 H new ATOM 0 HB VAL A 67 1.383 -7.653 -11.024 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.126 -6.525 -9.686 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.397 -8.281 -9.791 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.373 -7.169 -10.780 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.003 -5.314 -11.525 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.187 -5.892 -12.721 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.450 -6.183 -12.977 1.00 0.00 H new ATOM 921 N ILE A 68 2.009 -10.544 -11.203 1.00 0.00 N ATOM 922 CA ILE A 68 2.198 -11.795 -10.488 1.00 0.00 C ATOM 923 C ILE A 68 0.893 -12.592 -10.509 1.00 0.00 C ATOM 924 O ILE A 68 -0.188 -12.024 -10.362 1.00 0.00 O ATOM 925 CB ILE A 68 2.735 -11.532 -9.079 1.00 0.00 C ATOM 926 CG1 ILE A 68 3.839 -12.527 -8.718 1.00 0.00 C ATOM 927 CG2 ILE A 68 1.601 -11.536 -8.052 1.00 0.00 C ATOM 928 CD1 ILE A 68 5.177 -11.812 -8.516 1.00 0.00 C ATOM 0 H ILE A 68 1.040 -10.234 -11.272 1.00 0.00 H new ATOM 0 HA ILE A 68 2.953 -12.406 -10.983 1.00 0.00 H new ATOM 0 HB ILE A 68 3.181 -10.538 -9.063 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.568 -13.062 -7.808 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.936 -13.271 -9.509 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.009 -11.347 -7.059 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.880 -10.758 -8.303 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.105 -12.506 -8.062 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.945 -12.542 -8.260 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.457 -11.298 -9.435 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.083 -11.086 -7.708 1.00 0.00 H new ATOM 939 N GLU A 69 1.036 -13.896 -10.694 1.00 0.00 N ATOM 940 CA GLU A 69 -0.119 -14.777 -10.736 1.00 0.00 C ATOM 941 C GLU A 69 0.123 -16.012 -9.866 1.00 0.00 C ATOM 942 O GLU A 69 1.150 -16.677 -9.997 1.00 0.00 O ATOM 943 CB GLU A 69 -0.450 -15.178 -12.176 1.00 0.00 C ATOM 944 CG GLU A 69 -0.673 -13.943 -13.050 1.00 0.00 C ATOM 945 CD GLU A 69 -2.148 -13.799 -13.430 1.00 0.00 C ATOM 946 OE1 GLU A 69 -2.990 -14.131 -12.569 1.00 0.00 O ATOM 947 OE2 GLU A 69 -2.400 -13.361 -14.574 1.00 0.00 O ATOM 0 H GLU A 69 1.934 -14.364 -10.817 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.978 -14.237 -10.336 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.363 -15.777 -12.587 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.343 -15.802 -12.187 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.342 -13.051 -12.517 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.067 -14.018 -13.953 1.00 0.00 H new ATOM 952 N HIS A 70 -0.839 -16.281 -8.996 1.00 0.00 N ATOM 953 CA HIS A 70 -0.744 -17.423 -8.103 1.00 0.00 C ATOM 954 C HIS A 70 0.227 -17.106 -6.964 1.00 0.00 C ATOM 955 O HIS A 70 1.180 -17.849 -6.730 1.00 0.00 O ATOM 956 CB HIS A 70 -0.358 -18.685 -8.877 1.00 0.00 C ATOM 957 CG HIS A 70 -1.088 -18.850 -10.188 1.00 0.00 C ATOM 958 ND1 HIS A 70 -0.855 -18.297 -11.413 1.00 0.00 N flip ATOM 959 CD2 HIS A 70 -2.200 -19.662 -10.331 1.00 0.00 C flip ATOM 960 CE1 HIS A 70 -1.774 -18.748 -12.258 1.00 0.00 C flip ATOM 961 NE2 HIS A 70 -2.609 -19.593 -11.590 1.00 0.00 N flip ATOM 0 H HIS A 70 -1.689 -15.727 -8.890 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.718 -17.623 -7.657 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.715 -18.666 -9.070 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.554 -19.556 -8.252 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -2.657 -20.251 -9.550 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.848 -18.488 -13.304 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.408 -20.086 -11.989 1.00 0.00 H new ATOM 968 N TYR A 71 -0.047 -16.001 -6.287 1.00 0.00 N ATOM 969 CA TYR A 71 0.791 -15.576 -5.178 1.00 0.00 C ATOM 970 C TYR A 71 0.302 -16.178 -3.859 1.00 0.00 C ATOM 971 O TYR A 71 -0.682 -16.915 -3.836 1.00 0.00 O ATOM 972 CB TYR A 71 0.660 -14.052 -5.110 1.00 0.00 C ATOM 973 CG TYR A 71 1.908 -13.344 -4.579 1.00 0.00 C ATOM 974 CD1 TYR A 71 3.129 -13.545 -5.191 1.00 0.00 C ATOM 975 CD2 TYR A 71 1.812 -12.503 -3.489 1.00 0.00 C ATOM 976 CE1 TYR A 71 4.302 -12.878 -4.691 1.00 0.00 C ATOM 977 CE2 TYR A 71 2.986 -11.835 -2.990 1.00 0.00 C ATOM 978 CZ TYR A 71 4.173 -12.056 -3.616 1.00 0.00 C ATOM 979 OH TYR A 71 5.282 -11.426 -3.144 1.00 0.00 O ATOM 0 H TYR A 71 -0.837 -15.387 -6.485 1.00 0.00 H new ATOM 0 HA TYR A 71 1.821 -15.901 -5.328 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.435 -13.672 -6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.188 -13.798 -4.474 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.204 -14.202 -6.045 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.857 -12.346 -3.010 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.264 -13.027 -5.159 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.925 -11.174 -2.138 1.00 0.00 H new ATOM 0 HH TYR A 71 5.029 -10.817 -2.419 1.00 0.00 H new ATOM 988 N HIS A 72 1.012 -15.840 -2.793 1.00 0.00 N ATOM 989 CA HIS A 72 0.663 -16.338 -1.473 1.00 0.00 C ATOM 990 C HIS A 72 0.521 -15.163 -0.503 1.00 0.00 C ATOM 991 O HIS A 72 -0.588 -14.817 -0.099 1.00 0.00 O ATOM 992 CB HIS A 72 1.678 -17.379 -0.999 1.00 0.00 C ATOM 993 CG HIS A 72 3.099 -17.089 -1.421 1.00 0.00 C ATOM 994 ND1 HIS A 72 3.480 -16.987 -2.747 1.00 0.00 N ATOM 995 CD2 HIS A 72 4.223 -16.880 -0.679 1.00 0.00 C ATOM 996 CE1 HIS A 72 4.779 -16.729 -2.790 1.00 0.00 C ATOM 997 NE2 HIS A 72 5.238 -16.663 -1.507 1.00 0.00 N ATOM 0 H HIS A 72 1.827 -15.227 -2.816 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.299 -16.848 -1.515 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.638 -17.441 0.089 1.00 0.00 H new ATOM 0 HB3 HIS A 72 1.388 -18.356 -1.385 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.279 -16.889 0.400 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.370 -16.595 -3.684 1.00 0.00 H new ATOM 0 HE2 HIS A 72 6.202 -16.478 -1.230 1.00 0.00 H new ATOM 1004 N ARG A 73 1.660 -14.583 -0.156 1.00 0.00 N ATOM 1005 CA ARG A 73 1.677 -13.455 0.759 1.00 0.00 C ATOM 1006 C ARG A 73 0.691 -12.381 0.297 1.00 0.00 C ATOM 1007 O ARG A 73 0.073 -12.513 -0.759 1.00 0.00 O ATOM 1008 CB ARG A 73 3.077 -12.844 0.855 1.00 0.00 C ATOM 1009 CG ARG A 73 3.471 -12.601 2.314 1.00 0.00 C ATOM 1010 CD ARG A 73 4.521 -13.613 2.774 1.00 0.00 C ATOM 1011 NE ARG A 73 3.975 -14.448 3.866 1.00 0.00 N ATOM 1012 CZ ARG A 73 4.707 -15.294 4.604 1.00 0.00 C ATOM 1013 NH1 ARG A 73 6.020 -15.421 4.371 1.00 0.00 N ATOM 1014 NH2 ARG A 73 4.126 -16.012 5.574 1.00 0.00 N ATOM 0 H ARG A 73 2.578 -14.873 -0.492 1.00 0.00 H new ATOM 0 HA ARG A 73 1.385 -13.823 1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.801 -13.510 0.385 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.105 -11.903 0.305 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.862 -11.590 2.425 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.588 -12.673 2.950 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.820 -14.244 1.937 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.415 -13.092 3.116 1.00 0.00 H new ATOM 0 HE ARG A 73 2.978 -14.375 4.070 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.462 -14.874 3.632 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.578 -16.065 4.932 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.126 -15.915 5.751 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.683 -16.656 6.135 1.00 0.00 H new ATOM 1025 N THR A 74 0.571 -11.343 1.110 1.00 0.00 N ATOM 1026 CA THR A 74 -0.330 -10.247 0.798 1.00 0.00 C ATOM 1027 C THR A 74 0.463 -8.982 0.462 1.00 0.00 C ATOM 1028 O THR A 74 -0.105 -7.895 0.369 1.00 0.00 O ATOM 1029 CB THR A 74 -1.285 -10.068 1.981 1.00 0.00 C ATOM 1030 OG1 THR A 74 -0.467 -9.516 3.007 1.00 0.00 O ATOM 1031 CG2 THR A 74 -1.758 -11.404 2.557 1.00 0.00 C ATOM 0 H THR A 74 1.083 -11.237 1.986 1.00 0.00 H new ATOM 0 HA THR A 74 -0.924 -10.465 -0.089 1.00 0.00 H new ATOM 0 HB THR A 74 -2.149 -9.483 1.666 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.007 -9.366 3.811 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.433 -11.221 3.393 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.281 -11.968 1.785 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.897 -11.976 2.904 1.00 0.00 H new ATOM 1039 N SER A 75 1.763 -9.167 0.289 1.00 0.00 N ATOM 1040 CA SER A 75 2.641 -8.055 -0.035 1.00 0.00 C ATOM 1041 C SER A 75 3.682 -8.493 -1.066 1.00 0.00 C ATOM 1042 O SER A 75 4.234 -9.588 -0.970 1.00 0.00 O ATOM 1043 CB SER A 75 3.331 -7.514 1.219 1.00 0.00 C ATOM 1044 OG SER A 75 3.192 -8.399 2.328 1.00 0.00 O ATOM 0 H SER A 75 2.230 -10.070 0.367 1.00 0.00 H new ATOM 0 HA SER A 75 2.035 -7.254 -0.458 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.389 -7.356 1.011 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.908 -6.542 1.475 1.00 0.00 H new ATOM 0 HG SER A 75 3.647 -8.019 3.108 1.00 0.00 H new ATOM 1049 N ALA A 76 3.919 -7.615 -2.031 1.00 0.00 N ATOM 1050 CA ALA A 76 4.884 -7.897 -3.079 1.00 0.00 C ATOM 1051 C ALA A 76 5.503 -6.586 -3.564 1.00 0.00 C ATOM 1052 O ALA A 76 4.805 -5.582 -3.707 1.00 0.00 O ATOM 1053 CB ALA A 76 4.200 -8.672 -4.208 1.00 0.00 C ATOM 0 H ALA A 76 3.459 -6.708 -2.108 1.00 0.00 H new ATOM 0 HA ALA A 76 5.692 -8.521 -2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.924 -8.884 -4.995 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.804 -9.609 -3.818 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.384 -8.075 -4.617 1.00 0.00 H new ATOM 1059 N THR A 77 6.805 -6.635 -3.804 1.00 0.00 N ATOM 1060 CA THR A 77 7.525 -5.462 -4.269 1.00 0.00 C ATOM 1061 C THR A 77 7.529 -5.411 -5.799 1.00 0.00 C ATOM 1062 O THR A 77 7.818 -6.411 -6.456 1.00 0.00 O ATOM 1063 CB THR A 77 8.928 -5.495 -3.658 1.00 0.00 C ATOM 1064 OG1 THR A 77 8.704 -5.306 -2.264 1.00 0.00 O ATOM 1065 CG2 THR A 77 9.773 -4.287 -4.067 1.00 0.00 C ATOM 0 H THR A 77 7.380 -7.469 -3.685 1.00 0.00 H new ATOM 0 HA THR A 77 7.036 -4.543 -3.945 1.00 0.00 H new ATOM 0 HB THR A 77 9.434 -6.411 -3.961 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.562 -5.316 -1.791 1.00 0.00 H new ATOM 0 HG21 THR A 77 10.758 -4.360 -3.607 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.880 -4.268 -5.152 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.284 -3.371 -3.735 1.00 0.00 H new ATOM 1073 N ILE A 78 7.207 -4.237 -6.321 1.00 0.00 N ATOM 1074 CA ILE A 78 7.171 -4.043 -7.761 1.00 0.00 C ATOM 1075 C ILE A 78 8.549 -3.591 -8.245 1.00 0.00 C ATOM 1076 O ILE A 78 9.386 -3.173 -7.446 1.00 0.00 O ATOM 1077 CB ILE A 78 6.040 -3.087 -8.144 1.00 0.00 C ATOM 1078 CG1 ILE A 78 4.716 -3.520 -7.509 1.00 0.00 C ATOM 1079 CG2 ILE A 78 5.929 -2.948 -9.663 1.00 0.00 C ATOM 1080 CD1 ILE A 78 4.060 -4.640 -8.320 1.00 0.00 C ATOM 0 H ILE A 78 6.969 -3.410 -5.773 1.00 0.00 H new ATOM 0 HA ILE A 78 6.948 -4.982 -8.267 1.00 0.00 H new ATOM 0 HB ILE A 78 6.279 -2.100 -7.748 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.892 -3.860 -6.488 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.041 -2.666 -7.449 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.117 -2.263 -9.907 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.865 -2.558 -10.062 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.725 -3.924 -10.104 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.121 -4.929 -7.848 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.863 -4.289 -9.333 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.728 -5.501 -8.358 1.00 0.00 H new ATOM 1091 N THR A 79 8.743 -3.689 -9.552 1.00 0.00 N ATOM 1092 CA THR A 79 10.007 -3.296 -10.153 1.00 0.00 C ATOM 1093 C THR A 79 9.766 -2.601 -11.494 1.00 0.00 C ATOM 1094 O THR A 79 8.623 -2.327 -11.860 1.00 0.00 O ATOM 1095 CB THR A 79 10.885 -4.543 -10.264 1.00 0.00 C ATOM 1096 OG1 THR A 79 9.990 -5.563 -10.696 1.00 0.00 O ATOM 1097 CG2 THR A 79 11.381 -5.034 -8.903 1.00 0.00 C ATOM 0 H THR A 79 8.046 -4.035 -10.212 1.00 0.00 H new ATOM 0 HA THR A 79 10.530 -2.567 -9.534 1.00 0.00 H new ATOM 0 HB THR A 79 11.740 -4.327 -10.905 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.479 -6.407 -10.795 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.999 -5.921 -9.040 1.00 0.00 H new ATOM 0 HG22 THR A 79 11.970 -4.251 -8.426 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.527 -5.281 -8.272 1.00 0.00 H new ATOM 1105 N GLU A 80 10.860 -2.335 -12.192 1.00 0.00 N ATOM 1106 CA GLU A 80 10.781 -1.677 -13.485 1.00 0.00 C ATOM 1107 C GLU A 80 9.772 -0.528 -13.436 1.00 0.00 C ATOM 1108 O GLU A 80 8.650 -0.663 -13.921 1.00 0.00 O ATOM 1109 CB GLU A 80 10.424 -2.675 -14.588 1.00 0.00 C ATOM 1110 CG GLU A 80 11.674 -3.130 -15.343 1.00 0.00 C ATOM 1111 CD GLU A 80 11.416 -3.185 -16.849 1.00 0.00 C ATOM 1112 OE1 GLU A 80 10.973 -2.147 -17.387 1.00 0.00 O ATOM 1113 OE2 GLU A 80 11.666 -4.264 -17.429 1.00 0.00 O ATOM 0 H GLU A 80 11.806 -2.563 -11.887 1.00 0.00 H new ATOM 0 HA GLU A 80 11.761 -1.263 -13.720 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.923 -3.540 -14.152 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.721 -2.217 -15.284 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.497 -2.446 -15.136 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.980 -4.114 -14.987 1.00 0.00 H new ATOM 1118 N LEU A 81 10.207 0.575 -12.847 1.00 0.00 N ATOM 1119 CA LEU A 81 9.355 1.746 -12.728 1.00 0.00 C ATOM 1120 C LEU A 81 10.144 2.989 -13.143 1.00 0.00 C ATOM 1121 O LEU A 81 11.235 3.236 -12.632 1.00 0.00 O ATOM 1122 CB LEU A 81 8.762 1.836 -11.320 1.00 0.00 C ATOM 1123 CG LEU A 81 7.957 0.622 -10.853 1.00 0.00 C ATOM 1124 CD1 LEU A 81 7.736 0.660 -9.339 1.00 0.00 C ATOM 1125 CD2 LEU A 81 6.639 0.508 -11.622 1.00 0.00 C ATOM 0 H LEU A 81 11.139 0.683 -12.447 1.00 0.00 H new ATOM 0 HA LEU A 81 8.503 1.668 -13.404 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.576 2.001 -10.614 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.118 2.714 -11.274 1.00 0.00 H new ATOM 0 HG LEU A 81 8.535 -0.276 -11.072 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.161 -0.214 -9.033 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.700 0.657 -8.830 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.189 1.565 -9.074 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.087 -0.363 -11.270 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.043 1.406 -11.458 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.847 0.400 -12.687 1.00 0.00 H new ATOM 1136 N VAL A 82 9.561 3.741 -14.066 1.00 0.00 N ATOM 1137 CA VAL A 82 10.195 4.952 -14.556 1.00 0.00 C ATOM 1138 C VAL A 82 10.094 6.043 -13.489 1.00 0.00 C ATOM 1139 O VAL A 82 9.053 6.199 -12.852 1.00 0.00 O ATOM 1140 CB VAL A 82 9.575 5.364 -15.893 1.00 0.00 C ATOM 1141 CG1 VAL A 82 8.063 5.557 -15.760 1.00 0.00 C ATOM 1142 CG2 VAL A 82 10.243 6.625 -16.441 1.00 0.00 C ATOM 0 H VAL A 82 8.655 3.534 -14.487 1.00 0.00 H new ATOM 0 HA VAL A 82 11.254 4.779 -14.744 1.00 0.00 H new ATOM 0 HB VAL A 82 9.748 4.557 -16.605 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.647 5.849 -16.724 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.604 4.623 -15.435 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.859 6.336 -15.026 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.784 6.896 -17.392 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.116 7.442 -15.731 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.306 6.437 -16.592 1.00 0.00 H new ATOM 1152 N ILE A 83 11.187 6.771 -13.326 1.00 0.00 N ATOM 1153 CA ILE A 83 11.236 7.843 -12.347 1.00 0.00 C ATOM 1154 C ILE A 83 10.525 9.075 -12.911 1.00 0.00 C ATOM 1155 O ILE A 83 10.769 9.470 -14.050 1.00 0.00 O ATOM 1156 CB ILE A 83 12.679 8.110 -11.914 1.00 0.00 C ATOM 1157 CG1 ILE A 83 13.267 6.898 -11.189 1.00 0.00 C ATOM 1158 CG2 ILE A 83 12.771 9.382 -11.069 1.00 0.00 C ATOM 1159 CD1 ILE A 83 14.782 7.035 -11.033 1.00 0.00 C ATOM 0 H ILE A 83 12.048 6.640 -13.857 1.00 0.00 H new ATOM 0 HA ILE A 83 10.705 7.554 -11.440 1.00 0.00 H new ATOM 0 HB ILE A 83 13.279 8.273 -12.809 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.804 6.797 -10.207 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.036 5.990 -11.745 1.00 0.00 H new ATOM 0 HG21 ILE A 83 13.807 9.549 -10.774 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.418 10.233 -11.652 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.153 9.272 -10.178 1.00 0.00 H new ATOM 0 HD11 ILE A 83 15.175 6.160 -10.515 1.00 0.00 H new ATOM 0 HD12 ILE A 83 15.244 7.111 -12.017 1.00 0.00 H new ATOM 0 HD13 ILE A 83 15.009 7.931 -10.456 1.00 0.00 H new ATOM 1170 N GLY A 84 9.660 9.648 -12.089 1.00 0.00 N ATOM 1171 CA GLY A 84 8.912 10.827 -12.491 1.00 0.00 C ATOM 1172 C GLY A 84 7.592 10.438 -13.160 1.00 0.00 C ATOM 1173 O GLY A 84 7.011 11.229 -13.902 1.00 0.00 O ATOM 0 H GLY A 84 9.460 9.318 -11.145 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.712 11.450 -11.619 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.510 11.424 -13.179 1.00 0.00 H new ATOM 1177 N ASN A 85 7.157 9.220 -12.872 1.00 0.00 N ATOM 1178 CA ASN A 85 5.916 8.717 -13.437 1.00 0.00 C ATOM 1179 C ASN A 85 5.067 8.101 -12.323 1.00 0.00 C ATOM 1180 O ASN A 85 5.541 7.924 -11.201 1.00 0.00 O ATOM 1181 CB ASN A 85 6.187 7.631 -14.480 1.00 0.00 C ATOM 1182 CG ASN A 85 5.845 8.124 -15.887 1.00 0.00 C ATOM 1183 OD1 ASN A 85 5.647 9.304 -16.128 1.00 0.00 O ATOM 1184 ND2 ASN A 85 5.786 7.159 -16.799 1.00 0.00 N ATOM 0 H ASN A 85 7.641 8.567 -12.256 1.00 0.00 H new ATOM 0 HA ASN A 85 5.398 9.551 -13.910 1.00 0.00 H new ATOM 0 HB2 ASN A 85 7.236 7.336 -14.439 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.597 6.744 -14.248 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.564 7.386 -17.768 1.00 0.00 H new ATOM 0 HD22 ASN A 85 5.963 6.191 -16.530 1.00 0.00 H new ATOM 1190 N GLU A 86 3.826 7.791 -12.670 1.00 0.00 N ATOM 1191 CA GLU A 86 2.907 7.199 -11.713 1.00 0.00 C ATOM 1192 C GLU A 86 2.457 5.819 -12.195 1.00 0.00 C ATOM 1193 O GLU A 86 2.665 5.463 -13.354 1.00 0.00 O ATOM 1194 CB GLU A 86 1.705 8.114 -11.470 1.00 0.00 C ATOM 1195 CG GLU A 86 1.053 7.815 -10.119 1.00 0.00 C ATOM 1196 CD GLU A 86 0.145 8.966 -9.681 1.00 0.00 C ATOM 1197 OE1 GLU A 86 -0.763 9.302 -10.470 1.00 0.00 O ATOM 1198 OE2 GLU A 86 0.380 9.482 -8.567 1.00 0.00 O ATOM 0 H GLU A 86 3.436 7.939 -13.601 1.00 0.00 H new ATOM 0 HA GLU A 86 3.428 7.079 -10.763 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.024 9.156 -11.501 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.975 7.980 -12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.472 6.895 -10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.825 7.650 -9.367 1.00 0.00 H new ATOM 1203 N TYR A 87 1.849 5.077 -11.279 1.00 0.00 N ATOM 1204 CA TYR A 87 1.368 3.744 -11.596 1.00 0.00 C ATOM 1205 C TYR A 87 0.154 3.380 -10.738 1.00 0.00 C ATOM 1206 O TYR A 87 -0.195 4.108 -9.810 1.00 0.00 O ATOM 1207 CB TYR A 87 2.517 2.790 -11.261 1.00 0.00 C ATOM 1208 CG TYR A 87 3.741 2.950 -12.166 1.00 0.00 C ATOM 1209 CD1 TYR A 87 3.756 2.364 -13.415 1.00 0.00 C ATOM 1210 CD2 TYR A 87 4.830 3.678 -11.731 1.00 0.00 C ATOM 1211 CE1 TYR A 87 4.908 2.514 -14.266 1.00 0.00 C ATOM 1212 CE2 TYR A 87 5.982 3.828 -12.582 1.00 0.00 C ATOM 1213 CZ TYR A 87 5.965 3.239 -13.808 1.00 0.00 C ATOM 1214 OH TYR A 87 7.052 3.380 -14.611 1.00 0.00 O ATOM 0 H TYR A 87 1.679 5.375 -10.318 1.00 0.00 H new ATOM 0 HA TYR A 87 1.065 3.684 -12.641 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.819 2.951 -10.226 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.157 1.764 -11.332 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.904 1.793 -13.754 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.818 4.135 -10.753 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.933 2.061 -15.246 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.840 4.396 -12.254 1.00 0.00 H new ATOM 0 HH TYR A 87 6.827 3.090 -15.520 1.00 0.00 H new ATOM 1223 N TYR A 88 -0.457 2.254 -11.080 1.00 0.00 N ATOM 1224 CA TYR A 88 -1.624 1.787 -10.352 1.00 0.00 C ATOM 1225 C TYR A 88 -1.555 0.277 -10.118 1.00 0.00 C ATOM 1226 O TYR A 88 -1.167 -0.477 -11.010 1.00 0.00 O ATOM 1227 CB TYR A 88 -2.828 2.098 -11.243 1.00 0.00 C ATOM 1228 CG TYR A 88 -3.360 3.524 -11.095 1.00 0.00 C ATOM 1229 CD1 TYR A 88 -3.721 4.001 -9.852 1.00 0.00 C ATOM 1230 CD2 TYR A 88 -3.479 4.335 -12.206 1.00 0.00 C ATOM 1231 CE1 TYR A 88 -4.221 5.344 -9.713 1.00 0.00 C ATOM 1232 CE2 TYR A 88 -3.980 5.678 -12.068 1.00 0.00 C ATOM 1233 CZ TYR A 88 -4.325 6.116 -10.828 1.00 0.00 C ATOM 1234 OH TYR A 88 -4.798 7.385 -10.697 1.00 0.00 O ATOM 0 H TYR A 88 -0.166 1.653 -11.851 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.688 2.271 -9.378 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.550 1.931 -12.284 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.629 1.396 -11.011 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.629 3.367 -8.983 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.196 3.962 -13.179 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.507 5.730 -8.746 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.079 6.322 -12.929 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.817 7.819 -11.575 1.00 0.00 H new ATOM 1243 N PHE A 89 -1.936 -0.121 -8.913 1.00 0.00 N ATOM 1244 CA PHE A 89 -1.922 -1.528 -8.550 1.00 0.00 C ATOM 1245 C PHE A 89 -3.327 -2.015 -8.192 1.00 0.00 C ATOM 1246 O PHE A 89 -4.180 -1.225 -7.791 1.00 0.00 O ATOM 1247 CB PHE A 89 -1.020 -1.663 -7.320 1.00 0.00 C ATOM 1248 CG PHE A 89 0.362 -1.029 -7.491 1.00 0.00 C ATOM 1249 CD1 PHE A 89 1.277 -1.604 -8.319 1.00 0.00 C ATOM 1250 CD2 PHE A 89 0.678 0.107 -6.815 1.00 0.00 C ATOM 1251 CE1 PHE A 89 2.560 -1.017 -8.477 1.00 0.00 C ATOM 1252 CE2 PHE A 89 1.961 0.695 -6.973 1.00 0.00 C ATOM 1253 CZ PHE A 89 2.875 0.120 -7.800 1.00 0.00 C ATOM 0 H PHE A 89 -2.256 0.506 -8.175 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.561 -2.125 -9.387 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.516 -1.203 -6.466 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.897 -2.721 -7.086 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.027 -2.507 -8.856 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.047 0.563 -6.157 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.286 -1.473 -9.134 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.211 1.598 -6.437 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.851 0.566 -7.919 1.00 0.00 H new ATOM 1262 N ARG A 90 -3.525 -3.316 -8.349 1.00 0.00 N ATOM 1263 CA ARG A 90 -4.812 -3.919 -8.048 1.00 0.00 C ATOM 1264 C ARG A 90 -4.631 -5.384 -7.645 1.00 0.00 C ATOM 1265 O ARG A 90 -4.045 -6.169 -8.390 1.00 0.00 O ATOM 1266 CB ARG A 90 -5.752 -3.841 -9.252 1.00 0.00 C ATOM 1267 CG ARG A 90 -6.595 -2.565 -9.208 1.00 0.00 C ATOM 1268 CD ARG A 90 -7.846 -2.704 -10.078 1.00 0.00 C ATOM 1269 NE ARG A 90 -7.479 -3.231 -11.412 1.00 0.00 N ATOM 1270 CZ ARG A 90 -8.263 -3.146 -12.495 1.00 0.00 C ATOM 1271 NH1 ARG A 90 -9.462 -2.554 -12.409 1.00 0.00 N ATOM 1272 NH2 ARG A 90 -7.849 -3.654 -13.664 1.00 0.00 N ATOM 0 H ARG A 90 -2.815 -3.969 -8.681 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.253 -3.363 -7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.171 -3.865 -10.174 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.406 -4.713 -9.264 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.885 -2.352 -8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.000 -1.720 -9.553 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.561 -3.373 -9.598 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.336 -1.736 -10.182 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.572 -3.687 -11.513 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.778 -2.168 -11.519 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.059 -2.489 -13.233 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.937 -4.106 -13.729 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.446 -3.589 -14.488 1.00 0.00 H new ATOM 1283 N VAL A 91 -5.144 -5.709 -6.467 1.00 0.00 N ATOM 1284 CA VAL A 91 -5.047 -7.065 -5.957 1.00 0.00 C ATOM 1285 C VAL A 91 -6.350 -7.811 -6.248 1.00 0.00 C ATOM 1286 O VAL A 91 -7.437 -7.274 -6.038 1.00 0.00 O ATOM 1287 CB VAL A 91 -4.693 -7.040 -4.468 1.00 0.00 C ATOM 1288 CG1 VAL A 91 -4.682 -8.453 -3.882 1.00 0.00 C ATOM 1289 CG2 VAL A 91 -3.353 -6.339 -4.234 1.00 0.00 C ATOM 0 H VAL A 91 -5.628 -5.056 -5.851 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.245 -7.605 -6.460 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.464 -6.469 -3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.428 -8.406 -2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.668 -8.903 -3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.943 -9.059 -4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.126 -6.335 -3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.566 -6.869 -4.771 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.411 -5.313 -4.596 1.00 0.00 H new ATOM 1299 N PHE A 92 -6.198 -9.037 -6.728 1.00 0.00 N ATOM 1300 CA PHE A 92 -7.349 -9.862 -7.051 1.00 0.00 C ATOM 1301 C PHE A 92 -7.337 -11.161 -6.244 1.00 0.00 C ATOM 1302 O PHE A 92 -6.366 -11.914 -6.288 1.00 0.00 O ATOM 1303 CB PHE A 92 -7.255 -10.199 -8.540 1.00 0.00 C ATOM 1304 CG PHE A 92 -7.117 -8.975 -9.448 1.00 0.00 C ATOM 1305 CD1 PHE A 92 -5.911 -8.366 -9.590 1.00 0.00 C ATOM 1306 CD2 PHE A 92 -8.204 -8.498 -10.113 1.00 0.00 C ATOM 1307 CE1 PHE A 92 -5.784 -7.229 -10.433 1.00 0.00 C ATOM 1308 CE2 PHE A 92 -8.077 -7.363 -10.957 1.00 0.00 C ATOM 1309 CZ PHE A 92 -6.870 -6.752 -11.099 1.00 0.00 C ATOM 0 H PHE A 92 -5.295 -9.478 -6.901 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.268 -9.327 -6.813 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.400 -10.856 -8.700 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.144 -10.757 -8.833 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.049 -8.746 -9.062 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -9.163 -8.982 -9.999 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.826 -6.744 -10.545 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.939 -6.985 -11.486 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.774 -5.888 -11.740 1.00 0.00 H new ATOM 1318 N SER A 93 -8.428 -11.384 -5.525 1.00 0.00 N ATOM 1319 CA SER A 93 -8.555 -12.580 -4.709 1.00 0.00 C ATOM 1320 C SER A 93 -8.554 -13.824 -5.600 1.00 0.00 C ATOM 1321 O SER A 93 -9.535 -14.101 -6.287 1.00 0.00 O ATOM 1322 CB SER A 93 -9.827 -12.536 -3.862 1.00 0.00 C ATOM 1323 OG SER A 93 -9.787 -11.491 -2.892 1.00 0.00 O ATOM 0 H SER A 93 -9.232 -10.757 -5.491 1.00 0.00 H new ATOM 0 HA SER A 93 -7.702 -12.624 -4.032 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.691 -12.395 -4.512 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.960 -13.493 -3.358 1.00 0.00 H new ATOM 0 HG SER A 93 -10.548 -10.889 -3.028 1.00 0.00 H new ATOM 1328 N GLU A 94 -7.440 -14.541 -5.559 1.00 0.00 N ATOM 1329 CA GLU A 94 -7.299 -15.749 -6.354 1.00 0.00 C ATOM 1330 C GLU A 94 -8.079 -16.899 -5.715 1.00 0.00 C ATOM 1331 O GLU A 94 -8.433 -16.836 -4.539 1.00 0.00 O ATOM 1332 CB GLU A 94 -5.825 -16.119 -6.531 1.00 0.00 C ATOM 1333 CG GLU A 94 -5.482 -16.311 -8.010 1.00 0.00 C ATOM 1334 CD GLU A 94 -5.414 -17.797 -8.369 1.00 0.00 C ATOM 1335 OE1 GLU A 94 -6.480 -18.445 -8.305 1.00 0.00 O ATOM 1336 OE2 GLU A 94 -4.296 -18.251 -8.697 1.00 0.00 O ATOM 0 H GLU A 94 -6.627 -14.309 -4.988 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.714 -15.560 -7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.196 -15.336 -6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.608 -17.035 -5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.232 -15.818 -8.628 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.526 -15.836 -8.230 1.00 0.00 H new ATOM 1341 N ASN A 95 -8.326 -17.923 -6.519 1.00 0.00 N ATOM 1342 CA ASN A 95 -9.058 -19.086 -6.047 1.00 0.00 C ATOM 1343 C ASN A 95 -9.207 -20.089 -7.192 1.00 0.00 C ATOM 1344 O ASN A 95 -8.766 -19.830 -8.311 1.00 0.00 O ATOM 1345 CB ASN A 95 -10.460 -18.698 -5.574 1.00 0.00 C ATOM 1346 CG ASN A 95 -10.751 -19.280 -4.189 1.00 0.00 C ATOM 1347 OD1 ASN A 95 -11.142 -20.426 -4.038 1.00 0.00 O ATOM 1348 ND2 ASN A 95 -10.541 -18.428 -3.189 1.00 0.00 N ATOM 0 H ASN A 95 -8.032 -17.971 -7.495 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.503 -19.519 -5.215 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.550 -17.612 -5.542 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.201 -19.059 -6.287 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -10.708 -18.721 -2.226 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.213 -17.482 -3.385 1.00 0.00 H new ATOM 1354 N MET A 96 -9.829 -21.215 -6.873 1.00 0.00 N ATOM 1355 CA MET A 96 -10.040 -22.259 -7.863 1.00 0.00 C ATOM 1356 C MET A 96 -11.019 -21.798 -8.944 1.00 0.00 C ATOM 1357 O MET A 96 -10.987 -22.297 -10.069 1.00 0.00 O ATOM 1358 CB MET A 96 -10.592 -23.509 -7.175 1.00 0.00 C ATOM 1359 CG MET A 96 -11.950 -23.228 -6.530 1.00 0.00 C ATOM 1360 SD MET A 96 -12.300 -24.453 -5.281 1.00 0.00 S ATOM 1361 CE MET A 96 -11.226 -23.880 -3.974 1.00 0.00 C ATOM 0 H MET A 96 -10.193 -21.427 -5.944 1.00 0.00 H new ATOM 0 HA MET A 96 -9.084 -22.485 -8.336 1.00 0.00 H new ATOM 0 HB2 MET A 96 -10.691 -24.315 -7.903 1.00 0.00 H new ATOM 0 HB3 MET A 96 -9.889 -23.850 -6.415 1.00 0.00 H new ATOM 0 HG2 MET A 96 -11.951 -22.233 -6.085 1.00 0.00 H new ATOM 0 HG3 MET A 96 -12.731 -23.238 -7.290 1.00 0.00 H new ATOM 0 HE1 MET A 96 -10.578 -24.695 -3.652 1.00 0.00 H new ATOM 0 HE2 MET A 96 -10.616 -23.054 -4.340 1.00 0.00 H new ATOM 0 HE3 MET A 96 -11.828 -23.540 -3.131 1.00 0.00 H new ATOM 1369 N CYS A 97 -11.865 -20.851 -8.568 1.00 0.00 N ATOM 1370 CA CYS A 97 -12.852 -20.319 -9.493 1.00 0.00 C ATOM 1371 C CYS A 97 -12.130 -19.414 -10.494 1.00 0.00 C ATOM 1372 O CYS A 97 -12.374 -19.497 -11.697 1.00 0.00 O ATOM 1373 CB CYS A 97 -13.973 -19.578 -8.759 1.00 0.00 C ATOM 1374 SG CYS A 97 -13.267 -18.256 -7.710 1.00 0.00 S ATOM 0 H CYS A 97 -11.888 -20.438 -7.636 1.00 0.00 H new ATOM 0 HA CYS A 97 -13.335 -21.138 -10.026 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -14.669 -19.149 -9.480 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -14.541 -20.277 -8.145 1.00 0.00 H new ATOM 0 HG CYS A 97 -14.227 -17.632 -7.094 1.00 0.00 H new ATOM 1379 N GLY A 98 -11.260 -18.570 -9.961 1.00 0.00 N ATOM 1380 CA GLY A 98 -10.502 -17.651 -10.793 1.00 0.00 C ATOM 1381 C GLY A 98 -10.150 -16.377 -10.024 1.00 0.00 C ATOM 1382 O GLY A 98 -9.680 -16.443 -8.888 1.00 0.00 O ATOM 0 H GLY A 98 -11.063 -18.503 -8.963 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.589 -18.136 -11.137 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.082 -17.396 -11.680 1.00 0.00 H new ATOM 1386 N LEU A 99 -10.391 -15.246 -10.671 1.00 0.00 N ATOM 1387 CA LEU A 99 -10.106 -13.959 -10.062 1.00 0.00 C ATOM 1388 C LEU A 99 -11.419 -13.292 -9.651 1.00 0.00 C ATOM 1389 O LEU A 99 -12.497 -13.753 -10.023 1.00 0.00 O ATOM 1390 CB LEU A 99 -9.247 -13.103 -10.995 1.00 0.00 C ATOM 1391 CG LEU A 99 -7.769 -13.487 -11.087 1.00 0.00 C ATOM 1392 CD1 LEU A 99 -7.115 -13.488 -9.704 1.00 0.00 C ATOM 1393 CD2 LEU A 99 -7.593 -14.827 -11.805 1.00 0.00 C ATOM 0 H LEU A 99 -10.781 -15.195 -11.612 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.517 -14.090 -9.154 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.677 -13.149 -11.996 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.313 -12.066 -10.667 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.258 -12.732 -11.685 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.065 -13.764 -9.798 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.190 -12.493 -9.265 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.623 -14.207 -9.062 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.533 -15.076 -11.856 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.122 -15.606 -11.256 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.998 -14.755 -12.814 1.00 0.00 H new ATOM 1404 N SER A 100 -11.286 -12.217 -8.887 1.00 0.00 N ATOM 1405 CA SER A 100 -12.450 -11.481 -8.421 1.00 0.00 C ATOM 1406 C SER A 100 -12.908 -10.492 -9.495 1.00 0.00 C ATOM 1407 O SER A 100 -12.110 -9.704 -10.000 1.00 0.00 O ATOM 1408 CB SER A 100 -12.148 -10.744 -7.115 1.00 0.00 C ATOM 1409 OG SER A 100 -10.837 -10.185 -7.108 1.00 0.00 O ATOM 0 H SER A 100 -10.390 -11.838 -8.579 1.00 0.00 H new ATOM 0 HA SER A 100 -13.251 -12.194 -8.228 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.881 -9.951 -6.969 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.253 -11.433 -6.277 1.00 0.00 H new ATOM 0 HG SER A 100 -10.892 -9.220 -7.268 1.00 0.00 H new ATOM 1414 N GLU A 101 -14.192 -10.566 -9.813 1.00 0.00 N ATOM 1415 CA GLU A 101 -14.767 -9.687 -10.817 1.00 0.00 C ATOM 1416 C GLU A 101 -14.266 -8.255 -10.619 1.00 0.00 C ATOM 1417 O GLU A 101 -13.893 -7.586 -11.581 1.00 0.00 O ATOM 1418 CB GLU A 101 -16.295 -9.743 -10.785 1.00 0.00 C ATOM 1419 CG GLU A 101 -16.858 -10.152 -12.147 1.00 0.00 C ATOM 1420 CD GLU A 101 -17.826 -9.095 -12.682 1.00 0.00 C ATOM 1421 OE1 GLU A 101 -17.493 -7.898 -12.538 1.00 0.00 O ATOM 1422 OE2 GLU A 101 -18.875 -9.506 -13.221 1.00 0.00 O ATOM 0 H GLU A 101 -14.851 -11.222 -9.393 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.445 -10.031 -11.800 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.620 -10.453 -10.025 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -16.692 -8.768 -10.501 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.041 -10.293 -12.854 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -17.372 -11.109 -12.059 1.00 0.00 H new ATOM 1427 N ASP A 102 -14.272 -7.829 -9.364 1.00 0.00 N ATOM 1428 CA ASP A 102 -13.823 -6.489 -9.027 1.00 0.00 C ATOM 1429 C ASP A 102 -12.510 -6.576 -8.248 1.00 0.00 C ATOM 1430 O ASP A 102 -12.248 -7.573 -7.576 1.00 0.00 O ATOM 1431 CB ASP A 102 -14.848 -5.769 -8.148 1.00 0.00 C ATOM 1432 CG ASP A 102 -16.291 -5.839 -8.648 1.00 0.00 C ATOM 1433 OD1 ASP A 102 -16.955 -6.849 -8.330 1.00 0.00 O ATOM 1434 OD2 ASP A 102 -16.700 -4.878 -9.337 1.00 0.00 O ATOM 0 H ASP A 102 -14.581 -8.388 -8.569 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.692 -5.934 -9.956 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -14.806 -6.194 -7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -14.559 -4.721 -8.063 1.00 0.00 H new ATOM 1438 N ALA A 103 -11.717 -5.520 -8.364 1.00 0.00 N ATOM 1439 CA ALA A 103 -10.438 -5.466 -7.679 1.00 0.00 C ATOM 1440 C ALA A 103 -10.343 -4.159 -6.888 1.00 0.00 C ATOM 1441 O ALA A 103 -10.825 -3.121 -7.338 1.00 0.00 O ATOM 1442 CB ALA A 103 -9.306 -5.615 -8.697 1.00 0.00 C ATOM 0 H ALA A 103 -11.937 -4.695 -8.923 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.348 -6.288 -6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.346 -5.574 -8.182 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.402 -6.572 -9.211 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.362 -4.805 -9.425 1.00 0.00 H new ATOM 1448 N THR A 104 -9.718 -4.254 -5.723 1.00 0.00 N ATOM 1449 CA THR A 104 -9.553 -3.092 -4.866 1.00 0.00 C ATOM 1450 C THR A 104 -8.261 -2.352 -5.213 1.00 0.00 C ATOM 1451 O THR A 104 -7.167 -2.853 -4.958 1.00 0.00 O ATOM 1452 CB THR A 104 -9.611 -3.567 -3.412 1.00 0.00 C ATOM 1453 OG1 THR A 104 -10.972 -3.945 -3.223 1.00 0.00 O ATOM 1454 CG2 THR A 104 -9.401 -2.425 -2.416 1.00 0.00 C ATOM 0 H THR A 104 -9.320 -5.117 -5.353 1.00 0.00 H new ATOM 0 HA THR A 104 -10.354 -2.369 -5.020 1.00 0.00 H new ATOM 0 HB THR A 104 -8.854 -4.335 -3.251 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.098 -4.267 -2.306 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.451 -2.815 -1.399 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.424 -1.972 -2.583 1.00 0.00 H new ATOM 0 HG23 THR A 104 -10.178 -1.673 -2.555 1.00 0.00 H new ATOM 1462 N MET A 105 -8.430 -1.171 -5.790 1.00 0.00 N ATOM 1463 CA MET A 105 -7.290 -0.357 -6.175 1.00 0.00 C ATOM 1464 C MET A 105 -6.817 0.513 -5.007 1.00 0.00 C ATOM 1465 O MET A 105 -7.628 0.973 -4.204 1.00 0.00 O ATOM 1466 CB MET A 105 -7.676 0.538 -7.354 1.00 0.00 C ATOM 1467 CG MET A 105 -6.435 1.138 -8.017 1.00 0.00 C ATOM 1468 SD MET A 105 -6.738 2.843 -8.449 1.00 0.00 S ATOM 1469 CE MET A 105 -6.782 2.710 -10.228 1.00 0.00 C ATOM 0 H MET A 105 -9.339 -0.759 -6.000 1.00 0.00 H new ATOM 0 HA MET A 105 -6.475 -1.021 -6.463 1.00 0.00 H new ATOM 0 HB2 MET A 105 -8.239 -0.041 -8.086 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.331 1.338 -7.009 1.00 0.00 H new ATOM 0 HG2 MET A 105 -5.583 1.072 -7.340 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.178 0.568 -8.910 1.00 0.00 H new ATOM 0 HE1 MET A 105 -6.749 3.707 -10.668 1.00 0.00 H new ATOM 0 HE2 MET A 105 -5.923 2.133 -10.571 1.00 0.00 H new ATOM 0 HE3 MET A 105 -7.701 2.209 -10.533 1.00 0.00 H new ATOM 1477 N THR A 106 -5.509 0.712 -4.950 1.00 0.00 N ATOM 1478 CA THR A 106 -4.919 1.517 -3.894 1.00 0.00 C ATOM 1479 C THR A 106 -5.622 2.873 -3.804 1.00 0.00 C ATOM 1480 O THR A 106 -5.653 3.627 -4.775 1.00 0.00 O ATOM 1481 CB THR A 106 -3.418 1.628 -4.166 1.00 0.00 C ATOM 1482 OG1 THR A 106 -3.338 1.920 -5.559 1.00 0.00 O ATOM 1483 CG2 THR A 106 -2.696 0.286 -4.026 1.00 0.00 C ATOM 0 H THR A 106 -4.840 0.329 -5.618 1.00 0.00 H new ATOM 0 HA THR A 106 -5.053 1.050 -2.918 1.00 0.00 H new ATOM 0 HB THR A 106 -2.978 2.351 -3.479 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.107 2.864 -5.683 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.634 0.421 -4.230 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.826 -0.093 -3.012 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.113 -0.428 -4.736 1.00 0.00 H new ATOM 1491 N LYS A 107 -6.169 3.143 -2.627 1.00 0.00 N ATOM 1492 CA LYS A 107 -6.870 4.394 -2.397 1.00 0.00 C ATOM 1493 C LYS A 107 -6.085 5.538 -3.041 1.00 0.00 C ATOM 1494 O LYS A 107 -6.670 6.530 -3.474 1.00 0.00 O ATOM 1495 CB LYS A 107 -7.134 4.593 -0.902 1.00 0.00 C ATOM 1496 CG LYS A 107 -8.631 4.730 -0.623 1.00 0.00 C ATOM 1497 CD LYS A 107 -9.030 6.201 -0.484 1.00 0.00 C ATOM 1498 CE LYS A 107 -10.462 6.428 -0.970 1.00 0.00 C ATOM 1499 NZ LYS A 107 -11.049 7.621 -0.319 1.00 0.00 N ATOM 0 H LYS A 107 -6.140 2.516 -1.823 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.852 4.374 -2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.732 3.748 -0.343 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.612 5.484 -0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.199 4.270 -1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.885 4.193 0.291 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.943 6.508 0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.344 6.824 -1.058 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.469 6.557 -2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.070 5.551 -0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.021 7.760 -0.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.061 7.484 0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.478 8.459 -0.550 1.00 0.00 H new ATOM 1509 N GLU A 108 -4.773 5.363 -3.085 1.00 0.00 N ATOM 1510 CA GLU A 108 -3.902 6.369 -3.668 1.00 0.00 C ATOM 1511 C GLU A 108 -2.905 5.715 -4.628 1.00 0.00 C ATOM 1512 O GLU A 108 -2.655 4.514 -4.544 1.00 0.00 O ATOM 1513 CB GLU A 108 -3.175 7.164 -2.581 1.00 0.00 C ATOM 1514 CG GLU A 108 -4.171 7.917 -1.696 1.00 0.00 C ATOM 1515 CD GLU A 108 -3.500 8.409 -0.413 1.00 0.00 C ATOM 1516 OE1 GLU A 108 -3.321 7.566 0.493 1.00 0.00 O ATOM 1517 OE2 GLU A 108 -3.180 9.617 -0.366 1.00 0.00 O ATOM 0 H GLU A 108 -4.291 4.539 -2.726 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.517 7.069 -4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.577 6.488 -1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.485 7.871 -3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.582 8.765 -2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.007 7.264 -1.446 1.00 0.00 H new ATOM 1522 N SER A 109 -2.364 6.535 -5.516 1.00 0.00 N ATOM 1523 CA SER A 109 -1.400 6.052 -6.491 1.00 0.00 C ATOM 1524 C SER A 109 0.016 6.146 -5.918 1.00 0.00 C ATOM 1525 O SER A 109 0.213 6.669 -4.822 1.00 0.00 O ATOM 1526 CB SER A 109 -1.496 6.841 -7.798 1.00 0.00 C ATOM 1527 OG SER A 109 -1.641 8.240 -7.568 1.00 0.00 O ATOM 0 H SER A 109 -2.574 7.531 -5.581 1.00 0.00 H new ATOM 0 HA SER A 109 -1.629 5.009 -6.710 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.602 6.663 -8.396 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.345 6.479 -8.378 1.00 0.00 H new ATOM 0 HG SER A 109 -0.759 8.667 -7.582 1.00 0.00 H new ATOM 1532 N ALA A 110 0.966 5.630 -6.684 1.00 0.00 N ATOM 1533 CA ALA A 110 2.357 5.649 -6.266 1.00 0.00 C ATOM 1534 C ALA A 110 3.189 6.395 -7.311 1.00 0.00 C ATOM 1535 O ALA A 110 3.226 6.001 -8.477 1.00 0.00 O ATOM 1536 CB ALA A 110 2.844 4.215 -6.048 1.00 0.00 C ATOM 0 H ALA A 110 0.799 5.196 -7.592 1.00 0.00 H new ATOM 0 HA ALA A 110 2.466 6.178 -5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.888 4.229 -5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.239 3.739 -5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.752 3.654 -6.978 1.00 0.00 H new ATOM 1542 N VAL A 111 3.835 7.459 -6.857 1.00 0.00 N ATOM 1543 CA VAL A 111 4.665 8.263 -7.739 1.00 0.00 C ATOM 1544 C VAL A 111 6.138 7.999 -7.426 1.00 0.00 C ATOM 1545 O VAL A 111 6.556 8.079 -6.271 1.00 0.00 O ATOM 1546 CB VAL A 111 4.281 9.738 -7.616 1.00 0.00 C ATOM 1547 CG1 VAL A 111 3.710 10.269 -8.932 1.00 0.00 C ATOM 1548 CG2 VAL A 111 3.297 9.955 -6.464 1.00 0.00 C ATOM 0 H VAL A 111 3.801 7.783 -5.890 1.00 0.00 H new ATOM 0 HA VAL A 111 4.500 7.984 -8.780 1.00 0.00 H new ATOM 0 HB VAL A 111 5.187 10.301 -7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.445 11.320 -8.816 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.456 10.168 -9.720 1.00 0.00 H new ATOM 0 HG13 VAL A 111 2.821 9.698 -9.199 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.041 11.012 -6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.393 9.373 -6.643 1.00 0.00 H new ATOM 0 HG23 VAL A 111 3.756 9.635 -5.529 1.00 0.00 H new ATOM 1558 N ILE A 112 6.888 7.690 -8.474 1.00 0.00 N ATOM 1559 CA ILE A 112 8.306 7.415 -8.326 1.00 0.00 C ATOM 1560 C ILE A 112 9.079 8.736 -8.308 1.00 0.00 C ATOM 1561 O ILE A 112 8.915 9.567 -9.199 1.00 0.00 O ATOM 1562 CB ILE A 112 8.779 6.441 -9.407 1.00 0.00 C ATOM 1563 CG1 ILE A 112 7.848 5.231 -9.500 1.00 0.00 C ATOM 1564 CG2 ILE A 112 10.234 6.028 -9.174 1.00 0.00 C ATOM 1565 CD1 ILE A 112 7.652 4.582 -8.128 1.00 0.00 C ATOM 0 H ILE A 112 6.539 7.624 -9.430 1.00 0.00 H new ATOM 0 HA ILE A 112 8.500 6.919 -7.375 1.00 0.00 H new ATOM 0 HB ILE A 112 8.739 6.952 -10.369 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.883 5.540 -9.901 1.00 0.00 H new ATOM 0 HG13 ILE A 112 8.263 4.501 -10.195 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.545 5.336 -9.956 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.871 6.912 -9.197 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.323 5.542 -8.203 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.986 3.724 -8.223 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.616 4.252 -7.741 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.214 5.307 -7.442 1.00 0.00 H new ATOM 1576 N ALA A 113 9.904 8.888 -7.282 1.00 0.00 N ATOM 1577 CA ALA A 113 10.701 10.093 -7.136 1.00 0.00 C ATOM 1578 C ALA A 113 12.155 9.706 -6.850 1.00 0.00 C ATOM 1579 O ALA A 113 12.984 10.567 -6.562 1.00 0.00 O ATOM 1580 CB ALA A 113 10.104 10.971 -6.034 1.00 0.00 C ATOM 0 H ALA A 113 10.037 8.196 -6.544 1.00 0.00 H new ATOM 0 HA ALA A 113 10.689 10.675 -8.058 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.703 11.875 -5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.082 11.242 -6.299 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.102 10.422 -5.092 1.00 0.00 H new