USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 696 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 58 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 167:sc= -5.72! USER MOD Single : A 29 SER OG : rot 36:sc= 0.931 USER MOD Single : A 30 MET CE :methyl 164:sc= -0.2 (180deg=-1.13) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0122 USER MOD Single : A 38 SER OG : rot -29:sc= 0.0989 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc=-0.00617 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 66:sc= 0.197 USER MOD Single : A 92 TYR OH : rot 90:sc= -0.294 USER MOD Single : A 99 HIS : no HE2:sc= -2.24 K(o=-2.2,f=-3.9!) USER MOD Single : A 100 THR OG1 : rot 14:sc= -0.353 USER MOD Single : A 108 SER OG : rot -106:sc= 0.489 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -176:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 18 7.117 -12.351 -5.605 1.00 0.00 N ATOM 215 CA PRO A 18 5.868 -12.561 -4.866 1.00 0.00 C ATOM 216 C PRO A 18 4.636 -12.380 -5.746 1.00 0.00 C ATOM 217 O PRO A 18 4.582 -11.471 -6.575 1.00 0.00 O ATOM 218 CB PRO A 18 5.914 -11.483 -3.781 1.00 0.00 C ATOM 219 CG PRO A 18 6.784 -10.413 -4.345 1.00 0.00 C ATOM 220 CD PRO A 18 7.806 -11.116 -5.194 1.00 0.00 C ATOM 0 HA PRO A 18 5.790 -13.576 -4.475 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.917 -11.105 -3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.323 -11.876 -2.850 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.201 -9.709 -4.939 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.263 -9.841 -3.551 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.097 -10.513 -6.054 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.715 -11.331 -4.633 1.00 0.00 H new ATOM 228 N SER A 19 3.649 -13.250 -5.560 1.00 0.00 N ATOM 229 CA SER A 19 2.418 -13.187 -6.340 1.00 0.00 C ATOM 230 C SER A 19 1.291 -12.557 -5.527 1.00 0.00 C ATOM 231 O SER A 19 0.670 -11.586 -5.955 1.00 0.00 O ATOM 232 CB SER A 19 2.009 -14.588 -6.800 1.00 0.00 C ATOM 233 OG SER A 19 2.808 -15.021 -7.887 1.00 0.00 O ATOM 0 H SER A 19 3.677 -14.007 -4.876 1.00 0.00 H new ATOM 0 HA SER A 19 2.603 -12.564 -7.215 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.106 -15.289 -5.971 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.959 -14.586 -7.094 1.00 0.00 H new ATOM 0 HG SER A 19 2.528 -15.919 -8.161 1.00 0.00 H new ATOM 239 N ALA A 20 1.034 -13.119 -4.350 1.00 0.00 N ATOM 240 CA ALA A 20 -0.016 -12.613 -3.475 1.00 0.00 C ATOM 241 C ALA A 20 0.393 -11.290 -2.836 1.00 0.00 C ATOM 242 O ALA A 20 -0.203 -10.242 -3.085 1.00 0.00 O ATOM 243 CB ALA A 20 -0.350 -13.639 -2.402 1.00 0.00 C ATOM 0 H ALA A 20 1.539 -13.925 -3.981 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.905 -12.435 -4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.136 -13.247 -1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.693 -14.560 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.539 -13.846 -1.807 1.00 0.00 H new ATOM 249 N PRO A 21 1.433 -11.336 -1.991 1.00 0.00 N ATOM 250 CA PRO A 21 1.945 -10.150 -1.298 1.00 0.00 C ATOM 251 C PRO A 21 2.634 -9.176 -2.248 1.00 0.00 C ATOM 252 O PRO A 21 3.062 -9.539 -3.344 1.00 0.00 O ATOM 253 CB PRO A 21 2.952 -10.728 -0.301 1.00 0.00 C ATOM 254 CG PRO A 21 3.386 -12.018 -0.906 1.00 0.00 C ATOM 255 CD PRO A 21 2.191 -12.551 -1.647 1.00 0.00 C ATOM 0 HA PRO A 21 1.146 -9.574 -0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.797 -10.055 -0.156 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.496 -10.883 0.677 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.229 -11.868 -1.581 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.713 -12.719 -0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.485 -13.107 -2.537 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.604 -13.229 -1.028 1.00 0.00 H new ATOM 263 N PRO A 22 2.745 -7.910 -1.820 1.00 0.00 N ATOM 264 CA PRO A 22 2.238 -7.467 -0.518 1.00 0.00 C ATOM 265 C PRO A 22 0.715 -7.455 -0.462 1.00 0.00 C ATOM 266 O PRO A 22 0.056 -6.949 -1.370 1.00 0.00 O ATOM 267 CB PRO A 22 2.789 -6.044 -0.389 1.00 0.00 C ATOM 268 CG PRO A 22 2.992 -5.587 -1.792 1.00 0.00 C ATOM 269 CD PRO A 22 3.373 -6.813 -2.575 1.00 0.00 C ATOM 0 HA PRO A 22 2.546 -8.134 0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.091 -5.396 0.141 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.724 -6.031 0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.084 -5.136 -2.191 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.774 -4.830 -1.847 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.003 -6.767 -3.599 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.455 -6.933 -2.632 1.00 0.00 H new ATOM 277 N GLN A 23 0.162 -8.015 0.609 1.00 0.00 N ATOM 278 CA GLN A 23 -1.285 -8.069 0.782 1.00 0.00 C ATOM 279 C GLN A 23 -1.702 -7.404 2.089 1.00 0.00 C ATOM 280 O GLN A 23 -0.873 -6.840 2.804 1.00 0.00 O ATOM 281 CB GLN A 23 -1.769 -9.519 0.756 1.00 0.00 C ATOM 282 CG GLN A 23 -0.766 -10.506 1.330 1.00 0.00 C ATOM 283 CD GLN A 23 -1.245 -11.942 1.245 1.00 0.00 C ATOM 284 OE1 GLN A 23 -2.441 -12.203 1.116 1.00 0.00 O ATOM 285 NE2 GLN A 23 -0.311 -12.883 1.316 1.00 0.00 N ATOM 0 H GLN A 23 0.694 -8.438 1.370 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.745 -7.526 -0.043 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.700 -9.592 1.318 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.994 -9.800 -0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.179 -10.410 0.795 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.570 -10.254 2.372 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.669 -12.622 1.423 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.574 -13.867 1.264 1.00 0.00 H new ATOM 294 N LYS A 24 -2.993 -7.474 2.397 1.00 0.00 N ATOM 295 CA LYS A 24 -3.521 -6.880 3.620 1.00 0.00 C ATOM 296 C LYS A 24 -2.923 -5.496 3.855 1.00 0.00 C ATOM 297 O LYS A 24 -2.601 -5.133 4.986 1.00 0.00 O ATOM 298 CB LYS A 24 -3.228 -7.784 4.819 1.00 0.00 C ATOM 299 CG LYS A 24 -3.716 -9.211 4.638 1.00 0.00 C ATOM 300 CD LYS A 24 -3.564 -10.019 5.916 1.00 0.00 C ATOM 301 CE LYS A 24 -2.213 -10.714 5.978 1.00 0.00 C ATOM 302 NZ LYS A 24 -2.255 -11.934 6.831 1.00 0.00 N ATOM 0 H LYS A 24 -3.693 -7.936 1.817 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.600 -6.776 3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.153 -7.797 5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.696 -7.359 5.707 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.763 -9.203 4.334 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.155 -9.689 3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.676 -9.362 6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.360 -10.762 5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.898 -10.986 4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.467 -10.023 6.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.315 -12.379 6.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.531 -11.672 7.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.949 -12.605 6.443 1.00 0.00 H new ATOM 316 N VAL A 25 -2.779 -4.728 2.780 1.00 0.00 N ATOM 317 CA VAL A 25 -2.222 -3.384 2.870 1.00 0.00 C ATOM 318 C VAL A 25 -3.228 -2.412 3.477 1.00 0.00 C ATOM 319 O VAL A 25 -4.209 -2.038 2.836 1.00 0.00 O ATOM 320 CB VAL A 25 -1.790 -2.861 1.487 1.00 0.00 C ATOM 321 CG1 VAL A 25 -1.258 -1.440 1.595 1.00 0.00 C ATOM 322 CG2 VAL A 25 -0.750 -3.784 0.870 1.00 0.00 C ATOM 0 H VAL A 25 -3.040 -5.014 1.836 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.346 -3.447 3.516 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.663 -2.847 0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.958 -1.088 0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.037 -0.789 1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.397 -1.424 2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.456 -3.400 -0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.124 -3.832 1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.172 -4.782 0.755 1.00 0.00 H new ATOM 332 N MET A 26 -2.977 -2.007 4.717 1.00 0.00 N ATOM 333 CA MET A 26 -3.860 -1.076 5.411 1.00 0.00 C ATOM 334 C MET A 26 -3.248 0.320 5.460 1.00 0.00 C ATOM 335 O MET A 26 -2.153 0.510 5.991 1.00 0.00 O ATOM 336 CB MET A 26 -4.144 -1.571 6.830 1.00 0.00 C ATOM 337 CG MET A 26 -4.977 -2.842 6.875 1.00 0.00 C ATOM 338 SD MET A 26 -6.661 -2.591 6.281 1.00 0.00 S ATOM 339 CE MET A 26 -7.040 -4.220 5.640 1.00 0.00 C ATOM 0 H MET A 26 -2.170 -2.309 5.262 1.00 0.00 H new ATOM 0 HA MET A 26 -4.798 -1.023 4.858 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.197 -1.749 7.340 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.662 -0.787 7.383 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.494 -3.610 6.271 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.009 -3.215 7.899 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.052 -4.226 5.236 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.333 -4.474 4.850 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.966 -4.953 6.443 1.00 0.00 H new ATOM 349 N CYS A 27 -3.960 1.293 4.903 1.00 0.00 N ATOM 350 CA CYS A 27 -3.486 2.673 4.883 1.00 0.00 C ATOM 351 C CYS A 27 -4.347 3.557 5.779 1.00 0.00 C ATOM 352 O CYS A 27 -5.550 3.333 5.920 1.00 0.00 O ATOM 353 CB CYS A 27 -3.494 3.215 3.453 1.00 0.00 C ATOM 354 SG CYS A 27 -2.517 2.237 2.287 1.00 0.00 S ATOM 0 H CYS A 27 -4.868 1.152 4.459 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.465 2.686 5.264 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.524 3.260 3.099 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.114 4.237 3.461 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.801 2.600 1.071 1.00 0.00 H new ATOM 360 N VAL A 28 -3.723 4.561 6.386 1.00 0.00 N ATOM 361 CA VAL A 28 -4.431 5.479 7.271 1.00 0.00 C ATOM 362 C VAL A 28 -3.859 6.889 7.171 1.00 0.00 C ATOM 363 O VAL A 28 -2.644 7.074 7.110 1.00 0.00 O ATOM 364 CB VAL A 28 -4.363 5.011 8.736 1.00 0.00 C ATOM 365 CG1 VAL A 28 -5.450 3.987 9.022 1.00 0.00 C ATOM 366 CG2 VAL A 28 -2.987 4.441 9.050 1.00 0.00 C ATOM 0 H VAL A 28 -2.728 4.760 6.281 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.472 5.489 6.950 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.531 5.873 9.382 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.385 3.669 10.062 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.427 4.433 8.839 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.318 3.124 8.370 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.957 4.115 10.090 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.788 3.591 8.397 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.230 5.208 8.888 1.00 0.00 H new ATOM 376 N SER A 29 -4.744 7.880 7.157 1.00 0.00 N ATOM 377 CA SER A 29 -4.328 9.275 7.062 1.00 0.00 C ATOM 378 C SER A 29 -3.745 9.759 8.386 1.00 0.00 C ATOM 379 O SER A 29 -4.471 9.967 9.357 1.00 0.00 O ATOM 380 CB SER A 29 -5.512 10.156 6.660 1.00 0.00 C ATOM 381 OG SER A 29 -6.536 10.112 7.639 1.00 0.00 O ATOM 0 H SER A 29 -5.753 7.743 7.210 1.00 0.00 H new ATOM 0 HA SER A 29 -3.555 9.347 6.297 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.176 11.184 6.527 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.908 9.823 5.700 1.00 0.00 H new ATOM 0 HG SER A 29 -6.134 10.047 8.530 1.00 0.00 H new ATOM 387 N MET A 30 -2.428 9.937 8.415 1.00 0.00 N ATOM 388 CA MET A 30 -1.746 10.398 9.619 1.00 0.00 C ATOM 389 C MET A 30 -2.233 11.786 10.021 1.00 0.00 C ATOM 390 O MET A 30 -2.447 12.062 11.201 1.00 0.00 O ATOM 391 CB MET A 30 -0.233 10.419 9.397 1.00 0.00 C ATOM 392 CG MET A 30 0.426 9.059 9.568 1.00 0.00 C ATOM 393 SD MET A 30 0.880 8.718 11.279 1.00 0.00 S ATOM 394 CE MET A 30 -0.354 7.496 11.719 1.00 0.00 C ATOM 0 H MET A 30 -1.812 9.769 7.619 1.00 0.00 H new ATOM 0 HA MET A 30 -1.977 9.704 10.427 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.027 10.790 8.393 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.219 11.123 10.096 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.254 8.283 9.215 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.318 9.010 8.943 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.047 6.981 12.629 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.311 7.990 11.886 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.455 6.773 10.909 1.00 0.00 H new ATOM 404 N GLY A 31 -2.405 12.658 9.032 1.00 0.00 N ATOM 405 CA GLY A 31 -2.864 14.007 9.304 1.00 0.00 C ATOM 406 C GLY A 31 -3.674 14.585 8.160 1.00 0.00 C ATOM 407 O GLY A 31 -4.768 14.107 7.861 1.00 0.00 O ATOM 0 H GLY A 31 -2.235 12.454 8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.470 14.006 10.210 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.004 14.648 9.497 1.00 0.00 H new ATOM 411 N SER A 32 -3.137 15.619 7.520 1.00 0.00 N ATOM 412 CA SER A 32 -3.820 16.267 6.406 1.00 0.00 C ATOM 413 C SER A 32 -2.985 16.179 5.132 1.00 0.00 C ATOM 414 O SER A 32 -3.523 16.094 4.027 1.00 0.00 O ATOM 415 CB SER A 32 -4.109 17.732 6.740 1.00 0.00 C ATOM 416 OG SER A 32 -2.915 18.428 7.053 1.00 0.00 O ATOM 0 H SER A 32 -2.231 16.026 7.754 1.00 0.00 H new ATOM 0 HA SER A 32 -4.763 15.747 6.238 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.602 18.211 5.894 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.798 17.787 7.583 1.00 0.00 H new ATOM 0 HG SER A 32 -3.126 19.362 7.261 1.00 0.00 H new ATOM 422 N THR A 33 -1.666 16.200 5.293 1.00 0.00 N ATOM 423 CA THR A 33 -0.755 16.123 4.158 1.00 0.00 C ATOM 424 C THR A 33 0.203 14.947 4.300 1.00 0.00 C ATOM 425 O THR A 33 1.213 14.867 3.599 1.00 0.00 O ATOM 426 CB THR A 33 0.061 17.421 4.004 1.00 0.00 C ATOM 427 OG1 THR A 33 0.829 17.659 5.189 1.00 0.00 O ATOM 428 CG2 THR A 33 -0.854 18.607 3.739 1.00 0.00 C ATOM 0 H THR A 33 -1.204 16.270 6.200 1.00 0.00 H new ATOM 0 HA THR A 33 -1.369 15.981 3.269 1.00 0.00 H new ATOM 0 HB THR A 33 0.733 17.304 3.153 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.346 18.485 5.083 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.256 19.512 3.634 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.416 18.435 2.821 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.547 18.725 4.572 1.00 0.00 H new ATOM 436 N THR A 34 -0.118 14.033 5.211 1.00 0.00 N ATOM 437 CA THR A 34 0.715 12.861 5.445 1.00 0.00 C ATOM 438 C THR A 34 -0.135 11.606 5.607 1.00 0.00 C ATOM 439 O THR A 34 -1.192 11.637 6.237 1.00 0.00 O ATOM 440 CB THR A 34 1.594 13.037 6.697 1.00 0.00 C ATOM 441 OG1 THR A 34 2.562 14.069 6.475 1.00 0.00 O ATOM 442 CG2 THR A 34 2.302 11.738 7.049 1.00 0.00 C ATOM 0 H THR A 34 -0.950 14.083 5.799 1.00 0.00 H new ATOM 0 HA THR A 34 1.358 12.751 4.572 1.00 0.00 H new ATOM 0 HB THR A 34 0.949 13.317 7.530 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.116 14.176 7.276 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.917 11.888 7.937 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.562 10.962 7.247 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.935 11.432 6.216 1.00 0.00 H new ATOM 450 N VAL A 35 0.334 10.501 5.035 1.00 0.00 N ATOM 451 CA VAL A 35 -0.383 9.234 5.118 1.00 0.00 C ATOM 452 C VAL A 35 0.547 8.104 5.544 1.00 0.00 C ATOM 453 O VAL A 35 1.728 8.093 5.196 1.00 0.00 O ATOM 454 CB VAL A 35 -1.035 8.869 3.772 1.00 0.00 C ATOM 455 CG1 VAL A 35 -1.684 7.495 3.848 1.00 0.00 C ATOM 456 CG2 VAL A 35 -2.051 9.926 3.368 1.00 0.00 C ATOM 0 H VAL A 35 1.207 10.458 4.509 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.164 9.360 5.868 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.257 8.835 3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.140 7.254 2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.927 6.748 4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.451 7.497 4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.502 9.652 2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.827 9.995 4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.553 10.891 3.270 1.00 0.00 H new ATOM 466 N ARG A 36 0.006 7.153 6.299 1.00 0.00 N ATOM 467 CA ARG A 36 0.788 6.017 6.773 1.00 0.00 C ATOM 468 C ARG A 36 0.233 4.707 6.223 1.00 0.00 C ATOM 469 O ARG A 36 -0.826 4.242 6.647 1.00 0.00 O ATOM 470 CB ARG A 36 0.794 5.978 8.303 1.00 0.00 C ATOM 471 CG ARG A 36 1.712 4.914 8.881 1.00 0.00 C ATOM 472 CD ARG A 36 1.376 4.618 10.334 1.00 0.00 C ATOM 473 NE ARG A 36 0.057 4.008 10.477 1.00 0.00 N ATOM 474 CZ ARG A 36 -0.439 3.592 11.638 1.00 0.00 C ATOM 475 NH1 ARG A 36 0.272 3.720 12.750 1.00 0.00 N ATOM 476 NH2 ARG A 36 -1.648 3.048 11.687 1.00 0.00 N ATOM 0 H ARG A 36 -0.970 7.147 6.595 1.00 0.00 H new ATOM 0 HA ARG A 36 1.810 6.137 6.415 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.099 6.954 8.682 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.221 5.801 8.658 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.627 4.000 8.293 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.748 5.246 8.806 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.131 3.952 10.752 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.412 5.543 10.910 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.515 3.895 9.640 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.202 4.138 12.716 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.111 3.400 13.640 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.198 2.949 10.833 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.028 2.729 12.578 1.00 0.00 H new ATOM 490 N VAL A 37 0.953 4.117 5.275 1.00 0.00 N ATOM 491 CA VAL A 37 0.533 2.860 4.666 1.00 0.00 C ATOM 492 C VAL A 37 1.376 1.695 5.174 1.00 0.00 C ATOM 493 O VAL A 37 2.605 1.762 5.182 1.00 0.00 O ATOM 494 CB VAL A 37 0.632 2.920 3.130 1.00 0.00 C ATOM 495 CG1 VAL A 37 1.932 3.584 2.704 1.00 0.00 C ATOM 496 CG2 VAL A 37 0.516 1.525 2.535 1.00 0.00 C ATOM 0 H VAL A 37 1.830 4.489 4.912 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.508 2.703 4.949 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.195 3.521 2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.984 3.617 1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.969 4.599 3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.776 3.013 3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.588 1.585 1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.321 0.898 2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.445 1.090 2.811 1.00 0.00 H new ATOM 506 N SER A 38 0.706 0.628 5.597 1.00 0.00 N ATOM 507 CA SER A 38 1.393 -0.552 6.109 1.00 0.00 C ATOM 508 C SER A 38 0.841 -1.823 5.470 1.00 0.00 C ATOM 509 O SER A 38 -0.367 -1.957 5.273 1.00 0.00 O ATOM 510 CB SER A 38 1.251 -0.630 7.630 1.00 0.00 C ATOM 511 OG SER A 38 -0.099 -0.839 8.007 1.00 0.00 O ATOM 0 H SER A 38 -0.311 0.556 5.595 1.00 0.00 H new ATOM 0 HA SER A 38 2.449 -0.467 5.853 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.869 -1.441 8.015 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.619 0.292 8.080 1.00 0.00 H new ATOM 0 HG SER A 38 -0.692 -0.446 7.333 1.00 0.00 H new ATOM 517 N TRP A 39 1.734 -2.752 5.149 1.00 0.00 N ATOM 518 CA TRP A 39 1.337 -4.012 4.532 1.00 0.00 C ATOM 519 C TRP A 39 1.867 -5.199 5.329 1.00 0.00 C ATOM 520 O TRP A 39 2.800 -5.061 6.119 1.00 0.00 O ATOM 521 CB TRP A 39 1.847 -4.081 3.091 1.00 0.00 C ATOM 522 CG TRP A 39 3.264 -3.619 2.940 1.00 0.00 C ATOM 523 CD1 TRP A 39 4.371 -4.405 2.785 1.00 0.00 C ATOM 524 CD2 TRP A 39 3.728 -2.264 2.932 1.00 0.00 C ATOM 525 NE1 TRP A 39 5.494 -3.620 2.680 1.00 0.00 N ATOM 526 CE2 TRP A 39 5.126 -2.303 2.767 1.00 0.00 C ATOM 527 CE3 TRP A 39 3.098 -1.022 3.045 1.00 0.00 C ATOM 528 CZ2 TRP A 39 5.902 -1.148 2.714 1.00 0.00 C ATOM 529 CZ3 TRP A 39 3.869 0.123 2.994 1.00 0.00 C ATOM 530 CH2 TRP A 39 5.259 0.054 2.828 1.00 0.00 C ATOM 0 H TRP A 39 2.737 -2.657 5.306 1.00 0.00 H new ATOM 0 HA TRP A 39 0.248 -4.058 4.527 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.767 -5.108 2.734 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.204 -3.472 2.456 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.364 -5.484 2.750 1.00 0.00 H new ATOM 0 HE1 TRP A 39 6.447 -3.962 2.557 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.027 -0.958 3.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 6.973 -1.199 2.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.393 1.088 3.084 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.834 0.968 2.789 1.00 0.00 H new ATOM 541 N VAL A 40 1.266 -6.365 5.115 1.00 0.00 N ATOM 542 CA VAL A 40 1.679 -7.577 5.813 1.00 0.00 C ATOM 543 C VAL A 40 3.081 -8.002 5.394 1.00 0.00 C ATOM 544 O VAL A 40 3.370 -8.201 4.213 1.00 0.00 O ATOM 545 CB VAL A 40 0.702 -8.738 5.549 1.00 0.00 C ATOM 546 CG1 VAL A 40 0.445 -8.891 4.057 1.00 0.00 C ATOM 547 CG2 VAL A 40 1.239 -10.032 6.141 1.00 0.00 C ATOM 0 H VAL A 40 0.492 -6.496 4.464 1.00 0.00 H new ATOM 0 HA VAL A 40 1.676 -7.345 6.878 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.246 -8.509 6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.247 -9.716 3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.013 -7.970 3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.385 -9.097 3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.536 -10.841 5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.201 -10.269 5.686 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.366 -9.915 7.217 1.00 0.00 H new ATOM 656 N ASN A 48 8.198 -16.868 -1.594 1.00 0.00 N ATOM 657 CA ASN A 48 8.606 -17.053 -2.982 1.00 0.00 C ATOM 658 C ASN A 48 10.055 -16.621 -3.186 1.00 0.00 C ATOM 659 O ASN A 48 10.892 -17.408 -3.624 1.00 0.00 O ATOM 660 CB ASN A 48 7.689 -16.259 -3.915 1.00 0.00 C ATOM 661 CG ASN A 48 6.280 -16.817 -3.955 1.00 0.00 C ATOM 662 OD1 ASN A 48 6.006 -17.793 -4.654 1.00 0.00 O ATOM 663 ND2 ASN A 48 5.377 -16.199 -3.202 1.00 0.00 N ATOM 0 HA ASN A 48 8.525 -18.114 -3.220 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.656 -15.219 -3.589 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.107 -16.264 -4.922 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.412 -16.530 -3.188 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.648 -15.394 -2.638 1.00 0.00 H new ATOM 670 N GLY A 49 10.343 -15.364 -2.863 1.00 0.00 N ATOM 671 CA GLY A 49 11.691 -14.849 -3.016 1.00 0.00 C ATOM 672 C GLY A 49 12.162 -14.085 -1.795 1.00 0.00 C ATOM 673 O GLY A 49 11.707 -14.340 -0.680 1.00 0.00 O ATOM 0 H GLY A 49 9.667 -14.693 -2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.373 -15.677 -3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.730 -14.195 -3.887 1.00 0.00 H new ATOM 677 N VAL A 50 13.079 -13.145 -2.004 1.00 0.00 N ATOM 678 CA VAL A 50 13.614 -12.342 -0.911 1.00 0.00 C ATOM 679 C VAL A 50 13.493 -10.853 -1.213 1.00 0.00 C ATOM 680 O VAL A 50 14.192 -10.326 -2.080 1.00 0.00 O ATOM 681 CB VAL A 50 15.091 -12.680 -0.636 1.00 0.00 C ATOM 682 CG1 VAL A 50 15.958 -12.294 -1.825 1.00 0.00 C ATOM 683 CG2 VAL A 50 15.569 -11.986 0.631 1.00 0.00 C ATOM 0 H VAL A 50 13.467 -12.921 -2.921 1.00 0.00 H new ATOM 0 HA VAL A 50 13.024 -12.580 -0.026 1.00 0.00 H new ATOM 0 HB VAL A 50 15.178 -13.756 -0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.998 -12.540 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.629 -12.841 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.869 -11.223 -2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 50 16.615 -12.236 0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.468 -10.907 0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 50 14.967 -12.317 1.477 1.00 0.00 H new ATOM 693 N ILE A 51 12.601 -10.179 -0.494 1.00 0.00 N ATOM 694 CA ILE A 51 12.390 -8.750 -0.684 1.00 0.00 C ATOM 695 C ILE A 51 13.689 -7.972 -0.500 1.00 0.00 C ATOM 696 O ILE A 51 14.331 -8.052 0.548 1.00 0.00 O ATOM 697 CB ILE A 51 11.334 -8.201 0.294 1.00 0.00 C ATOM 698 CG1 ILE A 51 10.091 -9.094 0.290 1.00 0.00 C ATOM 699 CG2 ILE A 51 10.966 -6.771 -0.071 1.00 0.00 C ATOM 700 CD1 ILE A 51 9.691 -9.566 -1.090 1.00 0.00 C ATOM 0 H ILE A 51 12.013 -10.600 0.225 1.00 0.00 H new ATOM 0 HA ILE A 51 12.032 -8.618 -1.705 1.00 0.00 H new ATOM 0 HB ILE A 51 11.756 -8.201 1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.275 -9.962 0.923 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.259 -8.547 0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.219 -6.397 0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.855 -6.143 -0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.560 -6.747 -1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.803 -10.194 -1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.475 -8.704 -1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.507 -10.141 -1.528 1.00 0.00 H new ATOM 712 N THR A 52 14.072 -7.218 -1.526 1.00 0.00 N ATOM 713 CA THR A 52 15.294 -6.425 -1.478 1.00 0.00 C ATOM 714 C THR A 52 14.988 -4.961 -1.188 1.00 0.00 C ATOM 715 O THR A 52 15.837 -4.229 -0.680 1.00 0.00 O ATOM 716 CB THR A 52 16.078 -6.521 -2.801 1.00 0.00 C ATOM 717 OG1 THR A 52 17.303 -5.787 -2.698 1.00 0.00 O ATOM 718 CG2 THR A 52 15.253 -5.982 -3.959 1.00 0.00 C ATOM 0 H THR A 52 13.553 -7.140 -2.401 1.00 0.00 H new ATOM 0 HA THR A 52 15.904 -6.833 -0.672 1.00 0.00 H new ATOM 0 HB THR A 52 16.299 -7.571 -2.992 1.00 0.00 H new ATOM 0 HG1 THR A 52 17.796 -5.854 -3.542 1.00 0.00 H new ATOM 0 HG21 THR A 52 15.827 -6.060 -4.882 1.00 0.00 H new ATOM 0 HG22 THR A 52 14.335 -6.562 -4.053 1.00 0.00 H new ATOM 0 HG23 THR A 52 15.005 -4.937 -3.773 1.00 0.00 H new ATOM 726 N GLN A 53 13.769 -4.540 -1.512 1.00 0.00 N ATOM 727 CA GLN A 53 13.352 -3.161 -1.284 1.00 0.00 C ATOM 728 C GLN A 53 11.854 -3.000 -1.521 1.00 0.00 C ATOM 729 O GLN A 53 11.244 -3.777 -2.255 1.00 0.00 O ATOM 730 CB GLN A 53 14.130 -2.214 -2.199 1.00 0.00 C ATOM 731 CG GLN A 53 13.695 -2.279 -3.654 1.00 0.00 C ATOM 732 CD GLN A 53 14.508 -1.364 -4.548 1.00 0.00 C ATOM 733 OE1 GLN A 53 15.493 -1.785 -5.156 1.00 0.00 O ATOM 734 NE2 GLN A 53 14.099 -0.103 -4.633 1.00 0.00 N ATOM 0 H GLN A 53 13.054 -5.133 -1.933 1.00 0.00 H new ATOM 0 HA GLN A 53 13.566 -2.909 -0.245 1.00 0.00 H new ATOM 0 HB2 GLN A 53 14.009 -1.193 -1.838 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.192 -2.451 -2.135 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.787 -3.305 -4.011 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.641 -2.009 -3.727 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.277 0.203 -4.112 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.607 0.559 -5.220 1.00 0.00 H new ATOM 743 N TYR A 54 11.267 -1.986 -0.894 1.00 0.00 N ATOM 744 CA TYR A 54 9.840 -1.724 -1.034 1.00 0.00 C ATOM 745 C TYR A 54 9.597 -0.383 -1.719 1.00 0.00 C ATOM 746 O TYR A 54 10.312 0.589 -1.478 1.00 0.00 O ATOM 747 CB TYR A 54 9.161 -1.740 0.337 1.00 0.00 C ATOM 748 CG TYR A 54 8.834 -3.129 0.835 1.00 0.00 C ATOM 749 CD1 TYR A 54 7.765 -3.844 0.309 1.00 0.00 C ATOM 750 CD2 TYR A 54 9.594 -3.727 1.833 1.00 0.00 C ATOM 751 CE1 TYR A 54 7.463 -5.114 0.762 1.00 0.00 C ATOM 752 CE2 TYR A 54 9.300 -4.997 2.291 1.00 0.00 C ATOM 753 CZ TYR A 54 8.234 -5.686 1.753 1.00 0.00 C ATOM 754 OH TYR A 54 7.937 -6.950 2.207 1.00 0.00 O ATOM 0 H TYR A 54 11.758 -1.332 -0.284 1.00 0.00 H new ATOM 0 HA TYR A 54 9.411 -2.511 -1.654 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.811 -1.247 1.060 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.242 -1.156 0.285 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.160 -3.399 -0.467 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.429 -3.190 2.258 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.628 -5.656 0.343 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.902 -5.447 3.066 1.00 0.00 H new ATOM 0 HH TYR A 54 8.576 -7.206 2.904 1.00 0.00 H new ATOM 764 N SER A 55 8.581 -0.340 -2.575 1.00 0.00 N ATOM 765 CA SER A 55 8.243 0.880 -3.300 1.00 0.00 C ATOM 766 C SER A 55 6.830 1.341 -2.958 1.00 0.00 C ATOM 767 O SER A 55 5.941 0.526 -2.711 1.00 0.00 O ATOM 768 CB SER A 55 8.368 0.654 -4.808 1.00 0.00 C ATOM 769 OG SER A 55 8.725 1.852 -5.475 1.00 0.00 O ATOM 0 H SER A 55 7.978 -1.135 -2.784 1.00 0.00 H new ATOM 0 HA SER A 55 8.943 1.659 -2.998 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.118 -0.112 -5.003 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.423 0.282 -5.203 1.00 0.00 H new ATOM 0 HG SER A 55 8.800 1.681 -6.437 1.00 0.00 H new ATOM 775 N VAL A 56 6.629 2.655 -2.946 1.00 0.00 N ATOM 776 CA VAL A 56 5.324 3.227 -2.635 1.00 0.00 C ATOM 777 C VAL A 56 4.993 4.382 -3.574 1.00 0.00 C ATOM 778 O VAL A 56 5.801 5.290 -3.766 1.00 0.00 O ATOM 779 CB VAL A 56 5.263 3.729 -1.181 1.00 0.00 C ATOM 780 CG1 VAL A 56 3.887 4.298 -0.869 1.00 0.00 C ATOM 781 CG2 VAL A 56 5.615 2.607 -0.215 1.00 0.00 C ATOM 0 H VAL A 56 7.354 3.344 -3.148 1.00 0.00 H new ATOM 0 HA VAL A 56 4.590 2.432 -2.768 1.00 0.00 H new ATOM 0 HB VAL A 56 5.996 4.527 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.863 4.648 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.677 5.131 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.133 3.523 -1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.567 2.979 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.907 1.787 -0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.623 2.250 -0.424 1.00 0.00 H new ATOM 791 N ALA A 57 3.799 4.340 -4.156 1.00 0.00 N ATOM 792 CA ALA A 57 3.359 5.384 -5.073 1.00 0.00 C ATOM 793 C ALA A 57 1.991 5.926 -4.673 1.00 0.00 C ATOM 794 O ALA A 57 1.089 5.164 -4.325 1.00 0.00 O ATOM 795 CB ALA A 57 3.322 4.853 -6.499 1.00 0.00 C ATOM 0 H ALA A 57 3.119 3.594 -4.009 1.00 0.00 H new ATOM 0 HA ALA A 57 4.075 6.204 -5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.992 5.643 -7.173 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.319 4.521 -6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.629 4.014 -6.557 1.00 0.00 H new ATOM 801 N TYR A 58 1.845 7.245 -4.724 1.00 0.00 N ATOM 802 CA TYR A 58 0.588 7.889 -4.363 1.00 0.00 C ATOM 803 C TYR A 58 0.125 8.836 -5.466 1.00 0.00 C ATOM 804 O TYR A 58 0.904 9.643 -5.973 1.00 0.00 O ATOM 805 CB TYR A 58 0.741 8.656 -3.048 1.00 0.00 C ATOM 806 CG TYR A 58 1.940 9.576 -3.021 1.00 0.00 C ATOM 807 CD1 TYR A 58 3.208 9.091 -2.723 1.00 0.00 C ATOM 808 CD2 TYR A 58 1.806 10.932 -3.292 1.00 0.00 C ATOM 809 CE1 TYR A 58 4.306 9.928 -2.696 1.00 0.00 C ATOM 810 CE2 TYR A 58 2.899 11.777 -3.270 1.00 0.00 C ATOM 811 CZ TYR A 58 4.146 11.271 -2.971 1.00 0.00 C ATOM 812 OH TYR A 58 5.237 12.109 -2.945 1.00 0.00 O ATOM 0 H TYR A 58 2.582 7.889 -5.012 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.165 7.111 -4.236 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.161 9.243 -2.872 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.822 7.942 -2.228 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.337 8.040 -2.509 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.830 11.333 -3.524 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.284 9.534 -2.461 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.777 12.828 -3.486 1.00 0.00 H new ATOM 0 HH TYR A 58 4.954 13.022 -3.162 1.00 0.00 H new ATOM 822 N GLU A 59 -1.150 8.732 -5.830 1.00 0.00 N ATOM 823 CA GLU A 59 -1.717 9.579 -6.873 1.00 0.00 C ATOM 824 C GLU A 59 -3.151 9.974 -6.532 1.00 0.00 C ATOM 825 O GLU A 59 -3.982 9.123 -6.216 1.00 0.00 O ATOM 826 CB GLU A 59 -1.681 8.859 -8.222 1.00 0.00 C ATOM 827 CG GLU A 59 -2.002 9.760 -9.402 1.00 0.00 C ATOM 828 CD GLU A 59 -2.236 8.983 -10.683 1.00 0.00 C ATOM 829 OE1 GLU A 59 -2.749 7.848 -10.602 1.00 0.00 O ATOM 830 OE2 GLU A 59 -1.907 9.510 -11.766 1.00 0.00 O ATOM 0 H GLU A 59 -1.809 8.071 -5.419 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.114 10.485 -6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.692 8.425 -8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.392 8.033 -8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.889 10.351 -9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.182 10.462 -9.552 1.00 0.00 H new ATOM 837 N ALA A 60 -3.434 11.271 -6.600 1.00 0.00 N ATOM 838 CA ALA A 60 -4.767 11.779 -6.301 1.00 0.00 C ATOM 839 C ALA A 60 -5.784 11.287 -7.324 1.00 0.00 C ATOM 840 O ALA A 60 -5.499 11.229 -8.520 1.00 0.00 O ATOM 841 CB ALA A 60 -4.754 13.300 -6.256 1.00 0.00 C ATOM 0 H ALA A 60 -2.758 11.989 -6.860 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.063 11.400 -5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.756 13.666 -6.032 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.064 13.635 -5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.433 13.690 -7.222 1.00 0.00 H new ATOM 847 N VAL A 61 -6.973 10.931 -6.847 1.00 0.00 N ATOM 848 CA VAL A 61 -8.033 10.444 -7.720 1.00 0.00 C ATOM 849 C VAL A 61 -9.093 11.516 -7.949 1.00 0.00 C ATOM 850 O VAL A 61 -9.523 11.747 -9.080 1.00 0.00 O ATOM 851 CB VAL A 61 -8.708 9.188 -7.138 1.00 0.00 C ATOM 852 CG1 VAL A 61 -9.855 8.736 -8.028 1.00 0.00 C ATOM 853 CG2 VAL A 61 -7.689 8.072 -6.959 1.00 0.00 C ATOM 0 H VAL A 61 -7.226 10.971 -5.860 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.566 10.189 -8.671 1.00 0.00 H new ATOM 0 HB VAL A 61 -9.117 9.437 -6.159 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.319 7.847 -7.600 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.595 9.533 -8.100 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.474 8.503 -9.022 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.182 7.192 -6.547 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.249 7.823 -7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.905 8.401 -6.277 1.00 0.00 H new ATOM 863 N ASP A 62 -9.509 12.169 -6.870 1.00 0.00 N ATOM 864 CA ASP A 62 -10.518 13.219 -6.952 1.00 0.00 C ATOM 865 C ASP A 62 -9.933 14.568 -6.546 1.00 0.00 C ATOM 866 O ASP A 62 -10.648 15.447 -6.068 1.00 0.00 O ATOM 867 CB ASP A 62 -11.713 12.878 -6.061 1.00 0.00 C ATOM 868 CG ASP A 62 -13.007 13.481 -6.573 1.00 0.00 C ATOM 869 OD1 ASP A 62 -13.015 14.689 -6.891 1.00 0.00 O ATOM 870 OD2 ASP A 62 -14.011 12.744 -6.657 1.00 0.00 O ATOM 0 H ASP A 62 -9.163 11.990 -5.927 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.854 13.286 -7.987 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.819 11.795 -5.999 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.523 13.238 -5.050 1.00 0.00 H new ATOM 875 N GLY A 63 -8.626 14.723 -6.739 1.00 0.00 N ATOM 876 CA GLY A 63 -7.967 15.966 -6.386 1.00 0.00 C ATOM 877 C GLY A 63 -7.735 16.861 -7.587 1.00 0.00 C ATOM 878 O GLY A 63 -8.152 16.538 -8.699 1.00 0.00 O ATOM 0 H GLY A 63 -8.013 14.010 -7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.572 16.498 -5.652 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.011 15.745 -5.912 1.00 0.00 H new ATOM 882 N GLU A 64 -7.070 17.990 -7.363 1.00 0.00 N ATOM 883 CA GLU A 64 -6.786 18.935 -8.437 1.00 0.00 C ATOM 884 C GLU A 64 -5.676 18.411 -9.344 1.00 0.00 C ATOM 885 O GLU A 64 -5.799 18.433 -10.568 1.00 0.00 O ATOM 886 CB GLU A 64 -6.388 20.294 -7.858 1.00 0.00 C ATOM 887 CG GLU A 64 -7.510 20.986 -7.102 1.00 0.00 C ATOM 888 CD GLU A 64 -7.103 22.347 -6.570 1.00 0.00 C ATOM 889 OE1 GLU A 64 -6.218 22.982 -7.181 1.00 0.00 O ATOM 890 OE2 GLU A 64 -7.670 22.776 -5.544 1.00 0.00 O ATOM 0 H GLU A 64 -6.718 18.272 -6.448 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.692 19.053 -9.032 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.539 20.159 -7.188 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.055 20.941 -8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.371 21.100 -7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.826 20.355 -6.271 1.00 0.00 H new ATOM 897 N ASP A 65 -4.594 17.942 -8.733 1.00 0.00 N ATOM 898 CA ASP A 65 -3.462 17.412 -9.484 1.00 0.00 C ATOM 899 C ASP A 65 -3.372 15.896 -9.335 1.00 0.00 C ATOM 900 O ASP A 65 -3.168 15.382 -8.235 1.00 0.00 O ATOM 901 CB ASP A 65 -2.160 18.061 -9.012 1.00 0.00 C ATOM 902 CG ASP A 65 -0.990 17.738 -9.919 1.00 0.00 C ATOM 903 OD1 ASP A 65 -1.041 16.697 -10.608 1.00 0.00 O ATOM 904 OD2 ASP A 65 -0.022 18.527 -9.942 1.00 0.00 O ATOM 0 H ASP A 65 -4.477 17.918 -7.720 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.615 17.647 -10.537 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.292 19.142 -8.966 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.935 17.724 -8.000 1.00 0.00 H new ATOM 909 N ARG A 66 -3.528 15.187 -10.448 1.00 0.00 N ATOM 910 CA ARG A 66 -3.466 13.730 -10.440 1.00 0.00 C ATOM 911 C ARG A 66 -2.033 13.245 -10.639 1.00 0.00 C ATOM 912 O ARG A 66 -1.804 12.134 -11.115 1.00 0.00 O ATOM 913 CB ARG A 66 -4.367 13.155 -11.535 1.00 0.00 C ATOM 914 CG ARG A 66 -5.848 13.217 -11.199 1.00 0.00 C ATOM 915 CD ARG A 66 -6.472 14.523 -11.666 1.00 0.00 C ATOM 916 NE ARG A 66 -7.898 14.379 -11.947 1.00 0.00 N ATOM 917 CZ ARG A 66 -8.825 14.266 -11.003 1.00 0.00 C ATOM 918 NH1 ARG A 66 -8.478 14.280 -9.724 1.00 0.00 N ATOM 919 NH2 ARG A 66 -10.103 14.139 -11.338 1.00 0.00 N ATOM 0 H ARG A 66 -3.698 15.597 -11.366 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.817 13.382 -9.469 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.190 13.700 -12.463 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.087 12.117 -11.716 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.364 12.378 -11.667 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.982 13.113 -10.122 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.329 15.287 -10.902 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.959 14.869 -12.563 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.198 14.364 -12.922 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.497 14.378 -9.463 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.192 14.193 -9.001 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.374 14.128 -12.321 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.814 14.052 -10.612 1.00 0.00 H new ATOM 933 N GLY A 67 -1.072 14.087 -10.271 1.00 0.00 N ATOM 934 CA GLY A 67 0.326 13.727 -10.417 1.00 0.00 C ATOM 935 C GLY A 67 0.730 12.588 -9.502 1.00 0.00 C ATOM 936 O GLY A 67 0.799 12.756 -8.284 1.00 0.00 O ATOM 0 H GLY A 67 -1.237 15.012 -9.874 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.519 13.444 -11.452 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.946 14.598 -10.204 1.00 0.00 H new ATOM 940 N ARG A 68 0.995 11.425 -10.088 1.00 0.00 N ATOM 941 CA ARG A 68 1.391 10.253 -9.316 1.00 0.00 C ATOM 942 C ARG A 68 2.866 10.329 -8.932 1.00 0.00 C ATOM 943 O ARG A 68 3.731 10.530 -9.784 1.00 0.00 O ATOM 944 CB ARG A 68 1.127 8.976 -10.116 1.00 0.00 C ATOM 945 CG ARG A 68 1.767 7.737 -9.514 1.00 0.00 C ATOM 946 CD ARG A 68 3.059 7.373 -10.230 1.00 0.00 C ATOM 947 NE ARG A 68 4.198 8.135 -9.725 1.00 0.00 N ATOM 948 CZ ARG A 68 5.291 8.382 -10.437 1.00 0.00 C ATOM 949 NH1 ARG A 68 5.393 7.930 -11.680 1.00 0.00 N ATOM 950 NH2 ARG A 68 6.286 9.082 -9.907 1.00 0.00 N ATOM 0 H ARG A 68 0.943 11.269 -11.095 1.00 0.00 H new ATOM 0 HA ARG A 68 0.796 10.232 -8.403 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.051 8.819 -10.189 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.500 9.110 -11.132 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.971 7.909 -8.457 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.070 6.901 -9.572 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.253 6.307 -10.108 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.945 7.556 -11.298 1.00 0.00 H new ATOM 0 HE ARG A 68 4.151 8.497 -8.773 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.631 7.391 -12.091 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.234 8.121 -12.225 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.212 9.431 -8.951 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.125 9.271 -10.455 1.00 0.00 H new ATOM 964 N HIS A 69 3.145 10.166 -7.642 1.00 0.00 N ATOM 965 CA HIS A 69 4.515 10.215 -7.144 1.00 0.00 C ATOM 966 C HIS A 69 4.997 8.825 -6.741 1.00 0.00 C ATOM 967 O HIS A 69 4.195 7.916 -6.527 1.00 0.00 O ATOM 968 CB HIS A 69 4.612 11.167 -5.951 1.00 0.00 C ATOM 969 CG HIS A 69 4.785 12.602 -6.343 1.00 0.00 C ATOM 970 ND1 HIS A 69 5.940 13.314 -6.099 1.00 0.00 N ATOM 971 CD2 HIS A 69 3.941 13.458 -6.966 1.00 0.00 C ATOM 972 CE1 HIS A 69 5.799 14.547 -6.554 1.00 0.00 C ATOM 973 NE2 HIS A 69 4.595 14.659 -7.085 1.00 0.00 N ATOM 0 H HIS A 69 2.441 9.999 -6.923 1.00 0.00 H new ATOM 0 HA HIS A 69 5.154 10.583 -7.946 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.711 11.070 -5.345 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.451 10.866 -5.324 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.940 13.237 -7.306 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.542 15.329 -6.501 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.213 15.502 -7.514 1.00 0.00 H new ATOM 982 N VAL A 70 6.313 8.666 -6.641 1.00 0.00 N ATOM 983 CA VAL A 70 6.902 7.387 -6.264 1.00 0.00 C ATOM 984 C VAL A 70 8.014 7.575 -5.238 1.00 0.00 C ATOM 985 O VAL A 70 8.810 8.509 -5.333 1.00 0.00 O ATOM 986 CB VAL A 70 7.470 6.647 -7.490 1.00 0.00 C ATOM 987 CG1 VAL A 70 8.088 5.321 -7.075 1.00 0.00 C ATOM 988 CG2 VAL A 70 6.384 6.435 -8.534 1.00 0.00 C ATOM 0 H VAL A 70 6.991 9.407 -6.816 1.00 0.00 H new ATOM 0 HA VAL A 70 6.104 6.788 -5.825 1.00 0.00 H new ATOM 0 HB VAL A 70 8.253 7.262 -7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.484 4.813 -7.954 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.896 5.502 -6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.328 4.696 -6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.803 5.911 -9.393 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.577 5.841 -8.104 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.993 7.401 -8.853 1.00 0.00 H new ATOM 998 N VAL A 71 8.063 6.680 -4.256 1.00 0.00 N ATOM 999 CA VAL A 71 9.078 6.746 -3.212 1.00 0.00 C ATOM 1000 C VAL A 71 10.212 5.764 -3.484 1.00 0.00 C ATOM 1001 O VAL A 71 9.973 4.598 -3.799 1.00 0.00 O ATOM 1002 CB VAL A 71 8.478 6.449 -1.825 1.00 0.00 C ATOM 1003 CG1 VAL A 71 9.559 6.482 -0.756 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.367 7.437 -1.503 1.00 0.00 C ATOM 0 H VAL A 71 7.411 5.901 -4.162 1.00 0.00 H new ATOM 0 HA VAL A 71 9.472 7.762 -3.219 1.00 0.00 H new ATOM 0 HB VAL A 71 8.049 5.447 -1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.115 6.270 0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.316 5.731 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.021 7.469 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.954 7.213 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.769 8.450 -1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.580 7.357 -2.253 1.00 0.00 H new ATOM 1014 N ASP A 72 11.445 6.242 -3.361 1.00 0.00 N ATOM 1015 CA ASP A 72 12.616 5.405 -3.592 1.00 0.00 C ATOM 1016 C ASP A 72 13.538 5.413 -2.377 1.00 0.00 C ATOM 1017 O ASP A 72 13.600 6.395 -1.638 1.00 0.00 O ATOM 1018 CB ASP A 72 13.377 5.887 -4.828 1.00 0.00 C ATOM 1019 CG ASP A 72 13.988 7.261 -4.633 1.00 0.00 C ATOM 1020 OD1 ASP A 72 13.281 8.263 -4.869 1.00 0.00 O ATOM 1021 OD2 ASP A 72 15.172 7.333 -4.245 1.00 0.00 O ATOM 0 H ASP A 72 11.660 7.205 -3.103 1.00 0.00 H new ATOM 0 HA ASP A 72 12.275 4.383 -3.760 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.165 5.173 -5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.699 5.912 -5.681 1.00 0.00 H new ATOM 1026 N GLY A 73 14.253 4.310 -2.175 1.00 0.00 N ATOM 1027 CA GLY A 73 15.161 4.210 -1.047 1.00 0.00 C ATOM 1028 C GLY A 73 14.451 3.829 0.237 1.00 0.00 C ATOM 1029 O GLY A 73 14.551 4.534 1.241 1.00 0.00 O ATOM 0 H GLY A 73 14.220 3.484 -2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.929 3.469 -1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.669 5.164 -0.908 1.00 0.00 H new ATOM 1033 N ILE A 74 13.731 2.713 0.204 1.00 0.00 N ATOM 1034 CA ILE A 74 13.002 2.240 1.374 1.00 0.00 C ATOM 1035 C ILE A 74 13.623 0.964 1.931 1.00 0.00 C ATOM 1036 O ILE A 74 13.769 -0.029 1.220 1.00 0.00 O ATOM 1037 CB ILE A 74 11.520 1.975 1.045 1.00 0.00 C ATOM 1038 CG1 ILE A 74 10.855 3.251 0.525 1.00 0.00 C ATOM 1039 CG2 ILE A 74 10.790 1.454 2.274 1.00 0.00 C ATOM 1040 CD1 ILE A 74 9.389 3.077 0.195 1.00 0.00 C ATOM 0 H ILE A 74 13.637 2.120 -0.620 1.00 0.00 H new ATOM 0 HA ILE A 74 13.064 3.029 2.124 1.00 0.00 H new ATOM 0 HB ILE A 74 11.466 1.216 0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.960 4.037 1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.382 3.588 -0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.744 1.272 2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.252 0.524 2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.850 2.193 3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.983 4.021 -0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.278 2.314 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.849 2.770 1.090 1.00 0.00 H new ATOM 1052 N SER A 75 13.986 0.998 3.210 1.00 0.00 N ATOM 1053 CA SER A 75 14.594 -0.155 3.863 1.00 0.00 C ATOM 1054 C SER A 75 13.654 -1.356 3.829 1.00 0.00 C ATOM 1055 O SER A 75 12.504 -1.271 4.258 1.00 0.00 O ATOM 1056 CB SER A 75 14.954 0.183 5.311 1.00 0.00 C ATOM 1057 OG SER A 75 16.268 0.708 5.400 1.00 0.00 O ATOM 0 H SER A 75 13.869 1.812 3.814 1.00 0.00 H new ATOM 0 HA SER A 75 15.504 -0.411 3.320 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.242 0.907 5.707 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.874 -0.712 5.928 1.00 0.00 H new ATOM 0 HG SER A 75 16.474 0.918 6.335 1.00 0.00 H new ATOM 1063 N ARG A 76 14.153 -2.476 3.314 1.00 0.00 N ATOM 1064 CA ARG A 76 13.359 -3.695 3.222 1.00 0.00 C ATOM 1065 C ARG A 76 12.786 -4.074 4.584 1.00 0.00 C ATOM 1066 O ARG A 76 11.827 -4.841 4.672 1.00 0.00 O ATOM 1067 CB ARG A 76 14.210 -4.843 2.676 1.00 0.00 C ATOM 1068 CG ARG A 76 15.396 -5.195 3.559 1.00 0.00 C ATOM 1069 CD ARG A 76 16.464 -5.948 2.783 1.00 0.00 C ATOM 1070 NE ARG A 76 17.427 -5.044 2.158 1.00 0.00 N ATOM 1071 CZ ARG A 76 18.450 -5.457 1.419 1.00 0.00 C ATOM 1072 NH1 ARG A 76 18.643 -6.753 1.213 1.00 0.00 N ATOM 1073 NH2 ARG A 76 19.283 -4.574 0.884 1.00 0.00 N ATOM 0 H ARG A 76 15.103 -2.564 2.954 1.00 0.00 H new ATOM 0 HA ARG A 76 12.531 -3.509 2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.581 -5.726 2.557 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.573 -4.575 1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.823 -4.283 3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.058 -5.803 4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.988 -6.628 3.455 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.990 -6.560 2.015 1.00 0.00 H new ATOM 0 HE ARG A 76 17.307 -4.041 2.297 1.00 0.00 H new ATOM 0 HH11 ARG A 76 18.005 -7.435 1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 76 19.430 -7.068 0.645 1.00 0.00 H new ATOM 0 HH21 ARG A 76 19.138 -3.576 1.040 1.00 0.00 H new ATOM 0 HH22 ARG A 76 20.068 -4.893 0.317 1.00 0.00 H new ATOM 1087 N GLU A 77 13.381 -3.533 5.642 1.00 0.00 N ATOM 1088 CA GLU A 77 12.929 -3.817 7.000 1.00 0.00 C ATOM 1089 C GLU A 77 11.802 -2.873 7.407 1.00 0.00 C ATOM 1090 O GLU A 77 11.581 -2.627 8.593 1.00 0.00 O ATOM 1091 CB GLU A 77 14.094 -3.693 7.985 1.00 0.00 C ATOM 1092 CG GLU A 77 15.292 -4.555 7.622 1.00 0.00 C ATOM 1093 CD GLU A 77 16.274 -3.839 6.716 1.00 0.00 C ATOM 1094 OE1 GLU A 77 15.887 -2.814 6.117 1.00 0.00 O ATOM 1095 OE2 GLU A 77 17.428 -4.303 6.606 1.00 0.00 O ATOM 0 H GLU A 77 14.176 -2.896 5.586 1.00 0.00 H new ATOM 0 HA GLU A 77 12.550 -4.839 7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 77 14.408 -2.650 8.033 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.747 -3.968 8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 77 15.803 -4.862 8.534 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.945 -5.463 7.129 1.00 0.00 H new ATOM 1102 N HIS A 78 11.092 -2.345 6.415 1.00 0.00 N ATOM 1103 CA HIS A 78 9.987 -1.428 6.669 1.00 0.00 C ATOM 1104 C HIS A 78 8.732 -1.868 5.921 1.00 0.00 C ATOM 1105 O HIS A 78 8.618 -1.673 4.711 1.00 0.00 O ATOM 1106 CB HIS A 78 10.370 -0.007 6.253 1.00 0.00 C ATOM 1107 CG HIS A 78 11.015 0.784 7.349 1.00 0.00 C ATOM 1108 ND1 HIS A 78 10.306 1.597 8.208 1.00 0.00 N ATOM 1109 CD2 HIS A 78 12.312 0.882 7.725 1.00 0.00 C ATOM 1110 CE1 HIS A 78 11.139 2.162 9.064 1.00 0.00 C ATOM 1111 NE2 HIS A 78 12.362 1.745 8.792 1.00 0.00 N ATOM 0 H HIS A 78 11.262 -2.537 5.428 1.00 0.00 H new ATOM 0 HA HIS A 78 9.775 -1.442 7.738 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.051 -0.057 5.403 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.476 0.517 5.915 1.00 0.00 H new ATOM 0 HD2 HIS A 78 13.151 0.376 7.271 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.866 2.848 9.852 1.00 0.00 H new ATOM 0 HE2 HIS A 78 13.207 2.019 9.293 1.00 0.00 H new ATOM 1120 N SER A 79 7.794 -2.464 6.649 1.00 0.00 N ATOM 1121 CA SER A 79 6.549 -2.936 6.054 1.00 0.00 C ATOM 1122 C SER A 79 5.533 -1.803 5.947 1.00 0.00 C ATOM 1123 O SER A 79 4.374 -2.024 5.597 1.00 0.00 O ATOM 1124 CB SER A 79 5.966 -4.083 6.882 1.00 0.00 C ATOM 1125 OG SER A 79 5.533 -3.626 8.152 1.00 0.00 O ATOM 0 H SER A 79 7.872 -2.632 7.652 1.00 0.00 H new ATOM 0 HA SER A 79 6.770 -3.298 5.050 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.128 -4.532 6.348 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.717 -4.862 7.009 1.00 0.00 H new ATOM 0 HG SER A 79 5.163 -4.377 8.661 1.00 0.00 H new ATOM 1131 N SER A 80 5.977 -0.588 6.253 1.00 0.00 N ATOM 1132 CA SER A 80 5.107 0.581 6.196 1.00 0.00 C ATOM 1133 C SER A 80 5.891 1.822 5.779 1.00 0.00 C ATOM 1134 O SER A 80 7.122 1.817 5.767 1.00 0.00 O ATOM 1135 CB SER A 80 4.444 0.816 7.554 1.00 0.00 C ATOM 1136 OG SER A 80 5.409 0.880 8.589 1.00 0.00 O ATOM 0 H SER A 80 6.934 -0.388 6.543 1.00 0.00 H new ATOM 0 HA SER A 80 4.335 0.392 5.450 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.873 1.744 7.527 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.737 0.012 7.761 1.00 0.00 H new ATOM 0 HG SER A 80 4.960 1.033 9.446 1.00 0.00 H new ATOM 1142 N TRP A 81 5.168 2.882 5.437 1.00 0.00 N ATOM 1143 CA TRP A 81 5.795 4.131 5.018 1.00 0.00 C ATOM 1144 C TRP A 81 4.911 5.325 5.360 1.00 0.00 C ATOM 1145 O TRP A 81 3.693 5.193 5.480 1.00 0.00 O ATOM 1146 CB TRP A 81 6.079 4.105 3.516 1.00 0.00 C ATOM 1147 CG TRP A 81 6.968 5.222 3.059 1.00 0.00 C ATOM 1148 CD1 TRP A 81 6.584 6.365 2.418 1.00 0.00 C ATOM 1149 CD2 TRP A 81 8.390 5.301 3.208 1.00 0.00 C ATOM 1150 NE1 TRP A 81 7.681 7.150 2.159 1.00 0.00 N ATOM 1151 CE2 TRP A 81 8.801 6.520 2.634 1.00 0.00 C ATOM 1152 CE3 TRP A 81 9.355 4.462 3.771 1.00 0.00 C ATOM 1153 CZ2 TRP A 81 10.135 6.917 2.608 1.00 0.00 C ATOM 1154 CZ3 TRP A 81 10.679 4.858 3.744 1.00 0.00 C ATOM 1155 CH2 TRP A 81 11.059 6.076 3.167 1.00 0.00 C ATOM 0 H TRP A 81 4.148 2.902 5.441 1.00 0.00 H new ATOM 0 HA TRP A 81 6.737 4.234 5.557 1.00 0.00 H new ATOM 0 HB2 TRP A 81 6.542 3.153 3.258 1.00 0.00 H new ATOM 0 HB3 TRP A 81 5.135 4.157 2.974 1.00 0.00 H new ATOM 0 HD1 TRP A 81 5.567 6.615 2.154 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.664 8.055 1.689 1.00 0.00 H new ATOM 0 HE3 TRP A 81 9.072 3.521 4.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 10.430 7.855 2.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 11.434 4.217 4.175 1.00 0.00 H new ATOM 0 HH2 TRP A 81 12.102 6.357 3.163 1.00 0.00 H new ATOM 1166 N ASP A 82 5.531 6.489 5.517 1.00 0.00 N ATOM 1167 CA ASP A 82 4.799 7.708 5.844 1.00 0.00 C ATOM 1168 C ASP A 82 4.989 8.763 4.759 1.00 0.00 C ATOM 1169 O ASP A 82 6.036 9.407 4.680 1.00 0.00 O ATOM 1170 CB ASP A 82 5.261 8.258 7.194 1.00 0.00 C ATOM 1171 CG ASP A 82 5.714 7.164 8.141 1.00 0.00 C ATOM 1172 OD1 ASP A 82 5.328 5.996 7.926 1.00 0.00 O ATOM 1173 OD2 ASP A 82 6.455 7.476 9.097 1.00 0.00 O ATOM 0 H ASP A 82 6.539 6.615 5.423 1.00 0.00 H new ATOM 0 HA ASP A 82 3.739 7.462 5.904 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.080 8.960 7.036 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.446 8.817 7.653 1.00 0.00 H new ATOM 1178 N LEU A 83 3.970 8.935 3.924 1.00 0.00 N ATOM 1179 CA LEU A 83 4.024 9.912 2.842 1.00 0.00 C ATOM 1180 C LEU A 83 3.905 11.333 3.385 1.00 0.00 C ATOM 1181 O LEU A 83 3.230 11.572 4.386 1.00 0.00 O ATOM 1182 CB LEU A 83 2.907 9.645 1.831 1.00 0.00 C ATOM 1183 CG LEU A 83 2.866 8.239 1.231 1.00 0.00 C ATOM 1184 CD1 LEU A 83 1.579 8.029 0.450 1.00 0.00 C ATOM 1185 CD2 LEU A 83 4.077 8.005 0.340 1.00 0.00 C ATOM 0 H LEU A 83 3.097 8.411 3.975 1.00 0.00 H new ATOM 0 HA LEU A 83 4.988 9.813 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.951 9.839 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.002 10.363 1.017 1.00 0.00 H new ATOM 0 HG LEU A 83 2.894 7.516 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.568 7.023 0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.725 8.154 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.520 8.759 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.032 7.000 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.080 8.735 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.988 8.112 0.929 1.00 0.00 H new ATOM 1197 N VAL A 84 4.564 12.273 2.715 1.00 0.00 N ATOM 1198 CA VAL A 84 4.530 13.671 3.128 1.00 0.00 C ATOM 1199 C VAL A 84 4.475 14.600 1.920 1.00 0.00 C ATOM 1200 O VAL A 84 5.311 14.517 1.022 1.00 0.00 O ATOM 1201 CB VAL A 84 5.758 14.034 3.985 1.00 0.00 C ATOM 1202 CG1 VAL A 84 5.805 13.177 5.240 1.00 0.00 C ATOM 1203 CG2 VAL A 84 7.036 13.878 3.175 1.00 0.00 C ATOM 0 H VAL A 84 5.128 12.092 1.884 1.00 0.00 H new ATOM 0 HA VAL A 84 3.628 13.802 3.725 1.00 0.00 H new ATOM 0 HB VAL A 84 5.672 15.077 4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.679 13.447 5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.902 13.343 5.828 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.868 12.125 4.960 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.894 14.138 3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.131 12.845 2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.001 14.539 2.309 1.00 0.00 H new ATOM 1213 N GLY A 85 3.483 15.485 1.906 1.00 0.00 N ATOM 1214 CA GLY A 85 3.337 16.418 0.804 1.00 0.00 C ATOM 1215 C GLY A 85 2.146 16.093 -0.076 1.00 0.00 C ATOM 1216 O GLY A 85 2.284 15.953 -1.292 1.00 0.00 O ATOM 0 H GLY A 85 2.778 15.573 2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.228 17.428 1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.245 16.408 0.200 1.00 0.00 H new ATOM 1220 N LEU A 86 0.975 15.971 0.537 1.00 0.00 N ATOM 1221 CA LEU A 86 -0.245 15.658 -0.198 1.00 0.00 C ATOM 1222 C LEU A 86 -1.307 16.731 0.026 1.00 0.00 C ATOM 1223 O LEU A 86 -1.138 17.617 0.862 1.00 0.00 O ATOM 1224 CB LEU A 86 -0.786 14.292 0.228 1.00 0.00 C ATOM 1225 CG LEU A 86 0.242 13.165 0.330 1.00 0.00 C ATOM 1226 CD1 LEU A 86 -0.357 11.957 1.033 1.00 0.00 C ATOM 1227 CD2 LEU A 86 0.751 12.782 -1.052 1.00 0.00 C ATOM 0 H LEU A 86 0.844 16.084 1.542 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.002 15.630 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.272 14.402 1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.556 13.991 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 86 1.086 13.521 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.390 11.165 1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.672 12.240 2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.219 11.599 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.482 11.979 -0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.084 12.445 -1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.220 13.648 -1.520 1.00 0.00 H new ATOM 1239 N GLU A 87 -2.400 16.641 -0.725 1.00 0.00 N ATOM 1240 CA GLU A 87 -3.489 17.603 -0.606 1.00 0.00 C ATOM 1241 C GLU A 87 -4.317 17.336 0.648 1.00 0.00 C ATOM 1242 O GLU A 87 -4.276 16.242 1.212 1.00 0.00 O ATOM 1243 CB GLU A 87 -4.386 17.548 -1.844 1.00 0.00 C ATOM 1244 CG GLU A 87 -5.327 18.734 -1.968 1.00 0.00 C ATOM 1245 CD GLU A 87 -5.971 18.828 -3.338 1.00 0.00 C ATOM 1246 OE1 GLU A 87 -5.287 18.525 -4.337 1.00 0.00 O ATOM 1247 OE2 GLU A 87 -7.160 19.203 -3.409 1.00 0.00 O ATOM 0 H GLU A 87 -2.555 15.912 -1.422 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.052 18.599 -0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.759 17.498 -2.734 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.974 16.630 -1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.106 18.656 -1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.776 19.653 -1.766 1.00 0.00 H new ATOM 1254 N LYS A 88 -5.068 18.343 1.079 1.00 0.00 N ATOM 1255 CA LYS A 88 -5.907 18.219 2.265 1.00 0.00 C ATOM 1256 C LYS A 88 -7.331 17.824 1.886 1.00 0.00 C ATOM 1257 O LYS A 88 -7.854 18.262 0.861 1.00 0.00 O ATOM 1258 CB LYS A 88 -5.923 19.536 3.045 1.00 0.00 C ATOM 1259 CG LYS A 88 -4.541 20.122 3.275 1.00 0.00 C ATOM 1260 CD LYS A 88 -4.599 21.628 3.468 1.00 0.00 C ATOM 1261 CE LYS A 88 -3.270 22.286 3.128 1.00 0.00 C ATOM 1262 NZ LYS A 88 -3.174 22.628 1.682 1.00 0.00 N ATOM 0 H LYS A 88 -5.113 19.255 0.624 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.486 17.435 2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.531 20.262 2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.404 19.372 4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.090 19.659 4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.899 19.888 2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.385 22.046 2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.864 21.853 4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.150 23.191 3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.454 21.616 3.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.254 23.074 1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.263 21.762 1.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.938 23.287 1.430 1.00 0.00 H new ATOM 1276 N TRP A 89 -7.952 16.996 2.718 1.00 0.00 N ATOM 1277 CA TRP A 89 -9.316 16.544 2.470 1.00 0.00 C ATOM 1278 C TRP A 89 -9.461 16.006 1.051 1.00 0.00 C ATOM 1279 O TRP A 89 -10.458 16.267 0.376 1.00 0.00 O ATOM 1280 CB TRP A 89 -10.304 17.689 2.698 1.00 0.00 C ATOM 1281 CG TRP A 89 -11.636 17.231 3.212 1.00 0.00 C ATOM 1282 CD1 TRP A 89 -11.869 16.210 4.089 1.00 0.00 C ATOM 1283 CD2 TRP A 89 -12.917 17.776 2.878 1.00 0.00 C ATOM 1284 NE1 TRP A 89 -13.218 16.088 4.320 1.00 0.00 N ATOM 1285 CE2 TRP A 89 -13.882 17.037 3.590 1.00 0.00 C ATOM 1286 CE3 TRP A 89 -13.342 18.817 2.048 1.00 0.00 C ATOM 1287 CZ2 TRP A 89 -15.245 17.308 3.495 1.00 0.00 C ATOM 1288 CZ3 TRP A 89 -14.695 19.084 1.955 1.00 0.00 C ATOM 1289 CH2 TRP A 89 -15.633 18.333 2.675 1.00 0.00 C ATOM 0 H TRP A 89 -7.533 16.624 3.570 1.00 0.00 H new ATOM 0 HA TRP A 89 -9.538 15.738 3.169 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -9.873 18.396 3.407 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -10.449 18.226 1.761 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -11.105 15.590 4.535 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -13.654 15.402 4.936 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -12.626 19.402 1.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -15.970 16.730 4.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -15.035 19.886 1.316 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -16.683 18.567 2.581 1.00 0.00 H new ATOM 1300 N THR A 90 -8.462 15.253 0.603 1.00 0.00 N ATOM 1301 CA THR A 90 -8.478 14.679 -0.737 1.00 0.00 C ATOM 1302 C THR A 90 -8.043 13.218 -0.714 1.00 0.00 C ATOM 1303 O THR A 90 -7.115 12.849 0.004 1.00 0.00 O ATOM 1304 CB THR A 90 -7.560 15.461 -1.695 1.00 0.00 C ATOM 1305 OG1 THR A 90 -8.071 16.784 -1.891 1.00 0.00 O ATOM 1306 CG2 THR A 90 -7.446 14.752 -3.035 1.00 0.00 C ATOM 0 H THR A 90 -7.631 15.026 1.149 1.00 0.00 H new ATOM 0 HA THR A 90 -9.505 14.744 -1.096 1.00 0.00 H new ATOM 0 HB THR A 90 -6.568 15.518 -1.247 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.022 17.282 -1.048 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.793 15.323 -3.694 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.029 13.756 -2.885 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.434 14.668 -3.487 1.00 0.00 H new ATOM 1314 N GLU A 91 -8.720 12.392 -1.506 1.00 0.00 N ATOM 1315 CA GLU A 91 -8.402 10.970 -1.576 1.00 0.00 C ATOM 1316 C GLU A 91 -7.113 10.739 -2.361 1.00 0.00 C ATOM 1317 O GLU A 91 -6.800 11.479 -3.294 1.00 0.00 O ATOM 1318 CB GLU A 91 -9.553 10.199 -2.225 1.00 0.00 C ATOM 1319 CG GLU A 91 -9.512 8.704 -1.955 1.00 0.00 C ATOM 1320 CD GLU A 91 -10.799 8.005 -2.348 1.00 0.00 C ATOM 1321 OE1 GLU A 91 -10.920 7.604 -3.524 1.00 0.00 O ATOM 1322 OE2 GLU A 91 -11.685 7.860 -1.480 1.00 0.00 O ATOM 0 H GLU A 91 -9.491 12.682 -2.107 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.258 10.605 -0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.499 10.600 -1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.530 10.366 -3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.681 8.262 -2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.320 8.535 -0.895 1.00 0.00 H new ATOM 1329 N TYR A 92 -6.370 9.708 -1.975 1.00 0.00 N ATOM 1330 CA TYR A 92 -5.114 9.380 -2.639 1.00 0.00 C ATOM 1331 C TYR A 92 -4.923 7.869 -2.727 1.00 0.00 C ATOM 1332 O TYR A 92 -4.905 7.174 -1.711 1.00 0.00 O ATOM 1333 CB TYR A 92 -3.938 10.011 -1.892 1.00 0.00 C ATOM 1334 CG TYR A 92 -3.678 11.450 -2.278 1.00 0.00 C ATOM 1335 CD1 TYR A 92 -2.853 11.764 -3.351 1.00 0.00 C ATOM 1336 CD2 TYR A 92 -4.259 12.495 -1.571 1.00 0.00 C ATOM 1337 CE1 TYR A 92 -2.612 13.077 -3.706 1.00 0.00 C ATOM 1338 CE2 TYR A 92 -4.025 13.811 -1.920 1.00 0.00 C ATOM 1339 CZ TYR A 92 -3.200 14.097 -2.988 1.00 0.00 C ATOM 1340 OH TYR A 92 -2.964 15.406 -3.340 1.00 0.00 O ATOM 0 H TYR A 92 -6.616 9.085 -1.206 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.151 9.783 -3.651 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.130 9.960 -0.820 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -3.040 9.424 -2.083 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.392 10.968 -3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -4.905 12.275 -0.734 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.966 13.304 -4.542 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -4.485 14.611 -1.360 1.00 0.00 H new ATOM 0 HH TYR A 92 -3.636 15.696 -3.992 1.00 0.00 H new ATOM 1350 N ARG A 93 -4.780 7.367 -3.950 1.00 0.00 N ATOM 1351 CA ARG A 93 -4.590 5.939 -4.172 1.00 0.00 C ATOM 1352 C ARG A 93 -3.123 5.553 -4.008 1.00 0.00 C ATOM 1353 O ARG A 93 -2.283 5.895 -4.841 1.00 0.00 O ATOM 1354 CB ARG A 93 -5.078 5.550 -5.569 1.00 0.00 C ATOM 1355 CG ARG A 93 -6.557 5.205 -5.624 1.00 0.00 C ATOM 1356 CD ARG A 93 -7.036 5.032 -7.057 1.00 0.00 C ATOM 1357 NE ARG A 93 -8.491 4.940 -7.140 1.00 0.00 N ATOM 1358 CZ ARG A 93 -9.148 4.677 -8.264 1.00 0.00 C ATOM 1359 NH1 ARG A 93 -8.482 4.482 -9.394 1.00 0.00 N ATOM 1360 NH2 ARG A 93 -10.473 4.609 -8.260 1.00 0.00 N ATOM 0 H ARG A 93 -4.792 7.928 -4.802 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.175 5.400 -3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.880 6.373 -6.256 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.501 4.695 -5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -6.739 4.287 -5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.134 5.993 -5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.691 5.873 -7.659 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.591 4.132 -7.482 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.033 5.086 -6.288 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.463 4.534 -9.401 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.988 4.280 -10.256 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.989 4.759 -7.393 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.976 4.407 -9.124 1.00 0.00 H new ATOM 1374 N VAL A 94 -2.821 4.840 -2.928 1.00 0.00 N ATOM 1375 CA VAL A 94 -1.456 4.407 -2.654 1.00 0.00 C ATOM 1376 C VAL A 94 -1.220 2.986 -3.153 1.00 0.00 C ATOM 1377 O VAL A 94 -2.070 2.110 -2.989 1.00 0.00 O ATOM 1378 CB VAL A 94 -1.139 4.470 -1.148 1.00 0.00 C ATOM 1379 CG1 VAL A 94 0.249 3.912 -0.871 1.00 0.00 C ATOM 1380 CG2 VAL A 94 -1.259 5.898 -0.638 1.00 0.00 C ATOM 0 H VAL A 94 -3.504 4.550 -2.228 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.794 5.090 -3.186 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.865 3.856 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.456 3.965 0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.296 2.874 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.991 4.498 -1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.032 5.924 0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.557 6.536 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.275 6.259 -0.801 1.00 0.00 H new ATOM 1390 N TRP A 95 -0.061 2.764 -3.761 1.00 0.00 N ATOM 1391 CA TRP A 95 0.288 1.447 -4.284 1.00 0.00 C ATOM 1392 C TRP A 95 1.647 0.996 -3.759 1.00 0.00 C ATOM 1393 O TRP A 95 2.679 1.573 -4.102 1.00 0.00 O ATOM 1394 CB TRP A 95 0.300 1.470 -5.813 1.00 0.00 C ATOM 1395 CG TRP A 95 -1.026 1.829 -6.412 1.00 0.00 C ATOM 1396 CD1 TRP A 95 -2.097 1.000 -6.590 1.00 0.00 C ATOM 1397 CD2 TRP A 95 -1.421 3.111 -6.913 1.00 0.00 C ATOM 1398 NE1 TRP A 95 -3.134 1.689 -7.172 1.00 0.00 N ATOM 1399 CE2 TRP A 95 -2.745 2.986 -7.379 1.00 0.00 C ATOM 1400 CE3 TRP A 95 -0.787 4.352 -7.012 1.00 0.00 C ATOM 1401 CZ2 TRP A 95 -3.442 4.055 -7.936 1.00 0.00 C ATOM 1402 CZ3 TRP A 95 -1.480 5.412 -7.564 1.00 0.00 C ATOM 1403 CH2 TRP A 95 -2.796 5.259 -8.020 1.00 0.00 C ATOM 0 H TRP A 95 0.653 3.478 -3.904 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.466 0.737 -3.944 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.050 2.185 -6.153 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.604 0.490 -6.182 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.125 -0.044 -6.314 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.045 1.298 -7.411 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.227 4.480 -6.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.456 3.938 -8.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.999 6.376 -7.645 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.311 6.107 -8.446 1.00 0.00 H new ATOM 1414 N VAL A 96 1.640 -0.040 -2.926 1.00 0.00 N ATOM 1415 CA VAL A 96 2.873 -0.570 -2.355 1.00 0.00 C ATOM 1416 C VAL A 96 3.157 -1.976 -2.870 1.00 0.00 C ATOM 1417 O VAL A 96 2.329 -2.877 -2.733 1.00 0.00 O ATOM 1418 CB VAL A 96 2.811 -0.600 -0.817 1.00 0.00 C ATOM 1419 CG1 VAL A 96 1.599 -1.390 -0.346 1.00 0.00 C ATOM 1420 CG2 VAL A 96 4.094 -1.185 -0.244 1.00 0.00 C ATOM 0 H VAL A 96 0.795 -0.529 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 96 3.678 0.096 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 96 2.711 0.423 -0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.572 -1.400 0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.690 -0.924 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.665 -2.413 -0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.033 -1.199 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.227 -2.202 -0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.942 -0.574 -0.552 1.00 0.00 H new ATOM 1430 N ARG A 97 4.332 -2.158 -3.462 1.00 0.00 N ATOM 1431 CA ARG A 97 4.726 -3.455 -3.999 1.00 0.00 C ATOM 1432 C ARG A 97 6.080 -3.885 -3.443 1.00 0.00 C ATOM 1433 O ARG A 97 6.915 -3.049 -3.100 1.00 0.00 O ATOM 1434 CB ARG A 97 4.782 -3.404 -5.526 1.00 0.00 C ATOM 1435 CG ARG A 97 5.866 -2.484 -6.065 1.00 0.00 C ATOM 1436 CD ARG A 97 5.483 -1.904 -7.417 1.00 0.00 C ATOM 1437 NE ARG A 97 6.590 -1.177 -8.034 1.00 0.00 N ATOM 1438 CZ ARG A 97 6.558 -0.705 -9.275 1.00 0.00 C ATOM 1439 NH1 ARG A 97 5.480 -0.881 -10.027 1.00 0.00 N ATOM 1440 NH2 ARG A 97 7.604 -0.053 -9.766 1.00 0.00 N ATOM 0 H ARG A 97 5.029 -1.423 -3.582 1.00 0.00 H new ATOM 0 HA ARG A 97 3.979 -4.188 -3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 97 4.948 -4.411 -5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.815 -3.074 -5.906 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.042 -1.674 -5.357 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.801 -3.036 -6.157 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.164 -2.709 -8.079 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.632 -1.234 -7.296 1.00 0.00 H new ATOM 0 HE ARG A 97 7.434 -1.024 -7.481 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.673 -1.380 -9.653 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.458 -0.518 -10.980 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.434 0.086 -9.190 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.578 0.309 -10.719 1.00 0.00 H new ATOM 1454 N ALA A 98 6.289 -5.195 -3.356 1.00 0.00 N ATOM 1455 CA ALA A 98 7.542 -5.736 -2.844 1.00 0.00 C ATOM 1456 C ALA A 98 8.460 -6.168 -3.982 1.00 0.00 C ATOM 1457 O ALA A 98 8.064 -6.945 -4.851 1.00 0.00 O ATOM 1458 CB ALA A 98 7.269 -6.906 -1.910 1.00 0.00 C ATOM 0 H ALA A 98 5.607 -5.901 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 98 8.047 -4.949 -2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.213 -7.300 -1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.659 -6.568 -1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.739 -7.689 -2.453 1.00 0.00 H new ATOM 1464 N HIS A 99 9.688 -5.658 -3.972 1.00 0.00 N ATOM 1465 CA HIS A 99 10.663 -5.992 -5.004 1.00 0.00 C ATOM 1466 C HIS A 99 11.667 -7.019 -4.491 1.00 0.00 C ATOM 1467 O HIS A 99 12.011 -7.031 -3.309 1.00 0.00 O ATOM 1468 CB HIS A 99 11.395 -4.733 -5.470 1.00 0.00 C ATOM 1469 CG HIS A 99 10.497 -3.719 -6.109 1.00 0.00 C ATOM 1470 ND1 HIS A 99 9.704 -4.000 -7.202 1.00 0.00 N ATOM 1471 CD2 HIS A 99 10.268 -2.421 -5.804 1.00 0.00 C ATOM 1472 CE1 HIS A 99 9.027 -2.918 -7.541 1.00 0.00 C ATOM 1473 NE2 HIS A 99 9.351 -1.945 -6.708 1.00 0.00 N ATOM 0 H HIS A 99 10.031 -5.012 -3.261 1.00 0.00 H new ATOM 0 HA HIS A 99 10.127 -6.425 -5.849 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.895 -4.276 -4.616 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.172 -5.016 -6.180 1.00 0.00 H new ATOM 0 HD1 HIS A 99 9.649 -4.902 -7.674 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.722 -1.863 -4.999 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.327 -2.841 -8.360 1.00 0.00 H new ATOM 1482 N THR A 100 12.135 -7.882 -5.389 1.00 0.00 N ATOM 1483 CA THR A 100 13.098 -8.914 -5.027 1.00 0.00 C ATOM 1484 C THR A 100 14.357 -8.814 -5.880 1.00 0.00 C ATOM 1485 O THR A 100 14.358 -8.170 -6.929 1.00 0.00 O ATOM 1486 CB THR A 100 12.496 -10.323 -5.183 1.00 0.00 C ATOM 1487 OG1 THR A 100 11.811 -10.428 -6.436 1.00 0.00 O ATOM 1488 CG2 THR A 100 11.534 -10.630 -4.045 1.00 0.00 C ATOM 0 H THR A 100 11.862 -7.886 -6.372 1.00 0.00 H new ATOM 0 HA THR A 100 13.358 -8.752 -3.981 1.00 0.00 H new ATOM 0 HB THR A 100 13.310 -11.047 -5.154 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.060 -9.673 -7.009 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.122 -11.630 -4.177 1.00 0.00 H new ATOM 0 HG22 THR A 100 12.066 -10.579 -3.095 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.724 -9.901 -4.046 1.00 0.00 H new ATOM 1496 N ASP A 101 15.427 -9.456 -5.424 1.00 0.00 N ATOM 1497 CA ASP A 101 16.694 -9.441 -6.148 1.00 0.00 C ATOM 1498 C ASP A 101 16.586 -10.229 -7.449 1.00 0.00 C ATOM 1499 O ASP A 101 17.492 -10.200 -8.282 1.00 0.00 O ATOM 1500 CB ASP A 101 17.810 -10.020 -5.277 1.00 0.00 C ATOM 1501 CG ASP A 101 19.189 -9.606 -5.752 1.00 0.00 C ATOM 1502 OD1 ASP A 101 19.402 -8.395 -5.972 1.00 0.00 O ATOM 1503 OD2 ASP A 101 20.055 -10.493 -5.903 1.00 0.00 O ATOM 0 H ASP A 101 15.443 -9.993 -4.557 1.00 0.00 H new ATOM 0 HA ASP A 101 16.933 -8.406 -6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.670 -9.692 -4.247 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.740 -11.108 -5.278 1.00 0.00 H new ATOM 1508 N VAL A 102 15.471 -10.934 -7.617 1.00 0.00 N ATOM 1509 CA VAL A 102 15.244 -11.731 -8.817 1.00 0.00 C ATOM 1510 C VAL A 102 14.504 -10.926 -9.879 1.00 0.00 C ATOM 1511 O VAL A 102 14.567 -11.239 -11.067 1.00 0.00 O ATOM 1512 CB VAL A 102 14.439 -13.005 -8.501 1.00 0.00 C ATOM 1513 CG1 VAL A 102 15.230 -13.921 -7.579 1.00 0.00 C ATOM 1514 CG2 VAL A 102 13.095 -12.647 -7.885 1.00 0.00 C ATOM 0 H VAL A 102 14.711 -10.969 -6.937 1.00 0.00 H new ATOM 0 HA VAL A 102 16.225 -12.015 -9.198 1.00 0.00 H new ATOM 0 HB VAL A 102 14.255 -13.538 -9.434 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.646 -14.816 -7.366 1.00 0.00 H new ATOM 0 HG12 VAL A 102 16.165 -14.204 -8.062 1.00 0.00 H new ATOM 0 HG13 VAL A 102 15.447 -13.400 -6.647 1.00 0.00 H new ATOM 0 HG21 VAL A 102 12.540 -13.559 -7.668 1.00 0.00 H new ATOM 0 HG22 VAL A 102 13.255 -12.091 -6.961 1.00 0.00 H new ATOM 0 HG23 VAL A 102 12.526 -12.033 -8.584 1.00 0.00 H new ATOM 1524 N GLY A 103 13.801 -9.885 -9.442 1.00 0.00 N ATOM 1525 CA GLY A 103 13.058 -9.050 -10.368 1.00 0.00 C ATOM 1526 C GLY A 103 11.955 -8.266 -9.685 1.00 0.00 C ATOM 1527 O GLY A 103 11.675 -8.450 -8.500 1.00 0.00 O ATOM 0 H GLY A 103 13.733 -9.605 -8.463 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.743 -8.357 -10.857 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.625 -9.675 -11.149 1.00 0.00 H new ATOM 1531 N PRO A 104 11.308 -7.366 -10.441 1.00 0.00 N ATOM 1532 CA PRO A 104 10.220 -6.532 -9.922 1.00 0.00 C ATOM 1533 C PRO A 104 8.960 -7.339 -9.630 1.00 0.00 C ATOM 1534 O PRO A 104 8.826 -8.481 -10.068 1.00 0.00 O ATOM 1535 CB PRO A 104 9.966 -5.535 -11.054 1.00 0.00 C ATOM 1536 CG PRO A 104 10.431 -6.233 -12.285 1.00 0.00 C ATOM 1537 CD PRO A 104 11.588 -7.094 -11.861 1.00 0.00 C ATOM 0 HA PRO A 104 10.483 -6.063 -8.974 1.00 0.00 H new ATOM 0 HB2 PRO A 104 8.910 -5.274 -11.122 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.514 -4.607 -10.894 1.00 0.00 H new ATOM 0 HG2 PRO A 104 9.633 -6.837 -12.716 1.00 0.00 H new ATOM 0 HG3 PRO A 104 10.737 -5.517 -13.048 1.00 0.00 H new ATOM 0 HD2 PRO A 104 11.639 -8.014 -12.444 1.00 0.00 H new ATOM 0 HD3 PRO A 104 12.540 -6.580 -11.992 1.00 0.00 H new ATOM 1545 N GLY A 105 8.036 -6.737 -8.887 1.00 0.00 N ATOM 1546 CA GLY A 105 6.798 -7.415 -8.550 1.00 0.00 C ATOM 1547 C GLY A 105 5.574 -6.574 -8.855 1.00 0.00 C ATOM 1548 O GLY A 105 5.665 -5.367 -9.082 1.00 0.00 O ATOM 0 H GLY A 105 8.123 -5.792 -8.513 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.738 -8.352 -9.104 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.804 -7.671 -7.490 1.00 0.00 H new ATOM 1552 N PRO A 106 4.397 -7.216 -8.864 1.00 0.00 N ATOM 1553 CA PRO A 106 3.128 -6.538 -9.144 1.00 0.00 C ATOM 1554 C PRO A 106 2.715 -5.594 -8.020 1.00 0.00 C ATOM 1555 O PRO A 106 3.359 -5.543 -6.972 1.00 0.00 O ATOM 1556 CB PRO A 106 2.129 -7.691 -9.268 1.00 0.00 C ATOM 1557 CG PRO A 106 2.723 -8.795 -8.462 1.00 0.00 C ATOM 1558 CD PRO A 106 4.214 -8.653 -8.603 1.00 0.00 C ATOM 0 HA PRO A 106 3.189 -5.911 -10.034 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.148 -7.407 -8.888 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.994 -7.988 -10.308 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.421 -8.722 -7.417 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.387 -9.767 -8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.735 -8.966 -7.698 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.600 -9.262 -9.420 1.00 0.00 H new ATOM 1566 N GLU A 107 1.637 -4.849 -8.245 1.00 0.00 N ATOM 1567 CA GLU A 107 1.139 -3.906 -7.249 1.00 0.00 C ATOM 1568 C GLU A 107 0.116 -4.572 -6.333 1.00 0.00 C ATOM 1569 O GLU A 107 -0.284 -5.714 -6.559 1.00 0.00 O ATOM 1570 CB GLU A 107 0.512 -2.690 -7.934 1.00 0.00 C ATOM 1571 CG GLU A 107 1.533 -1.714 -8.494 1.00 0.00 C ATOM 1572 CD GLU A 107 1.013 -0.955 -9.701 1.00 0.00 C ATOM 1573 OE1 GLU A 107 0.398 0.114 -9.510 1.00 0.00 O ATOM 1574 OE2 GLU A 107 1.223 -1.432 -10.836 1.00 0.00 O ATOM 0 H GLU A 107 1.092 -4.880 -9.107 1.00 0.00 H new ATOM 0 HA GLU A 107 1.983 -3.577 -6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.133 -3.032 -8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.123 -2.168 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.816 -1.004 -7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.436 -2.258 -8.773 1.00 0.00 H new ATOM 1581 N SER A 108 -0.302 -3.849 -5.299 1.00 0.00 N ATOM 1582 CA SER A 108 -1.275 -4.370 -4.346 1.00 0.00 C ATOM 1583 C SER A 108 -2.587 -3.596 -4.432 1.00 0.00 C ATOM 1584 O SER A 108 -2.740 -2.700 -5.262 1.00 0.00 O ATOM 1585 CB SER A 108 -0.718 -4.295 -2.924 1.00 0.00 C ATOM 1586 OG SER A 108 -0.565 -2.950 -2.506 1.00 0.00 O ATOM 0 H SER A 108 0.018 -2.901 -5.100 1.00 0.00 H new ATOM 0 HA SER A 108 -1.471 -5.412 -4.597 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.387 -4.818 -2.240 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.245 -4.804 -2.880 1.00 0.00 H new ATOM 0 HG SER A 108 0.386 -2.712 -2.510 1.00 0.00 H new ATOM 1592 N SER A 109 -3.533 -3.950 -3.567 1.00 0.00 N ATOM 1593 CA SER A 109 -4.834 -3.293 -3.547 1.00 0.00 C ATOM 1594 C SER A 109 -4.712 -1.861 -3.034 1.00 0.00 C ATOM 1595 O SER A 109 -4.274 -1.612 -1.910 1.00 0.00 O ATOM 1596 CB SER A 109 -5.812 -4.078 -2.671 1.00 0.00 C ATOM 1597 OG SER A 109 -7.126 -3.557 -2.779 1.00 0.00 O ATOM 0 H SER A 109 -3.422 -4.688 -2.871 1.00 0.00 H new ATOM 0 HA SER A 109 -5.214 -3.264 -4.568 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.808 -5.127 -2.967 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.486 -4.038 -1.632 1.00 0.00 H new ATOM 0 HG SER A 109 -7.732 -4.077 -2.211 1.00 0.00 H new ATOM 1603 N PRO A 110 -5.107 -0.895 -3.877 1.00 0.00 N ATOM 1604 CA PRO A 110 -5.052 0.528 -3.532 1.00 0.00 C ATOM 1605 C PRO A 110 -6.073 0.906 -2.464 1.00 0.00 C ATOM 1606 O PRO A 110 -7.276 0.712 -2.645 1.00 0.00 O ATOM 1607 CB PRO A 110 -5.378 1.227 -4.855 1.00 0.00 C ATOM 1608 CG PRO A 110 -6.175 0.230 -5.623 1.00 0.00 C ATOM 1609 CD PRO A 110 -5.640 -1.119 -5.231 1.00 0.00 C ATOM 0 HA PRO A 110 -4.086 0.808 -3.113 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.944 2.144 -4.690 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.470 1.505 -5.390 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.236 0.313 -5.386 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.074 0.393 -6.696 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.422 -1.878 -5.234 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.864 -1.458 -5.917 1.00 0.00 H new ATOM 1617 N VAL A 111 -5.587 1.447 -1.352 1.00 0.00 N ATOM 1618 CA VAL A 111 -6.458 1.854 -0.256 1.00 0.00 C ATOM 1619 C VAL A 111 -6.844 3.323 -0.377 1.00 0.00 C ATOM 1620 O VAL A 111 -5.984 4.194 -0.515 1.00 0.00 O ATOM 1621 CB VAL A 111 -5.786 1.622 1.111 1.00 0.00 C ATOM 1622 CG1 VAL A 111 -6.633 2.209 2.229 1.00 0.00 C ATOM 1623 CG2 VAL A 111 -5.542 0.138 1.339 1.00 0.00 C ATOM 0 H VAL A 111 -4.594 1.614 -1.186 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.356 1.239 -0.320 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.822 2.130 1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.142 2.035 3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -6.752 3.281 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.613 1.732 2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.067 -0.008 2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.493 -0.395 1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.891 -0.248 0.555 1.00 0.00 H new ATOM 1633 N LEU A 112 -8.144 3.594 -0.324 1.00 0.00 N ATOM 1634 CA LEU A 112 -8.646 4.960 -0.427 1.00 0.00 C ATOM 1635 C LEU A 112 -8.654 5.642 0.937 1.00 0.00 C ATOM 1636 O LEU A 112 -9.365 5.220 1.850 1.00 0.00 O ATOM 1637 CB LEU A 112 -10.056 4.963 -1.020 1.00 0.00 C ATOM 1638 CG LEU A 112 -10.243 4.164 -2.311 1.00 0.00 C ATOM 1639 CD1 LEU A 112 -11.706 4.155 -2.726 1.00 0.00 C ATOM 1640 CD2 LEU A 112 -9.375 4.736 -3.422 1.00 0.00 C ATOM 0 H LEU A 112 -8.869 2.886 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.980 5.516 -1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.744 4.571 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.346 5.996 -1.210 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.933 3.135 -2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.820 3.582 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.305 3.698 -1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.044 5.178 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.521 4.155 -4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.655 5.774 -3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.327 4.689 -3.126 1.00 0.00 H new ATOM 1652 N VAL A 113 -7.861 6.700 1.070 1.00 0.00 N ATOM 1653 CA VAL A 113 -7.779 7.442 2.322 1.00 0.00 C ATOM 1654 C VAL A 113 -7.997 8.934 2.091 1.00 0.00 C ATOM 1655 O VAL A 113 -7.373 9.535 1.216 1.00 0.00 O ATOM 1656 CB VAL A 113 -6.417 7.234 3.010 1.00 0.00 C ATOM 1657 CG1 VAL A 113 -6.249 5.784 3.435 1.00 0.00 C ATOM 1658 CG2 VAL A 113 -5.284 7.663 2.089 1.00 0.00 C ATOM 0 H VAL A 113 -7.266 7.063 0.325 1.00 0.00 H new ATOM 0 HA VAL A 113 -8.567 7.058 2.970 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.383 7.856 3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.281 5.657 3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.042 5.515 4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.304 5.139 2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.329 7.509 2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.313 7.069 1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.397 8.718 1.840 1.00 0.00 H new ATOM 1668 N ARG A 114 -8.887 9.525 2.882 1.00 0.00 N ATOM 1669 CA ARG A 114 -9.188 10.947 2.764 1.00 0.00 C ATOM 1670 C ARG A 114 -8.522 11.739 3.885 1.00 0.00 C ATOM 1671 O ARG A 114 -8.964 11.701 5.034 1.00 0.00 O ATOM 1672 CB ARG A 114 -10.701 11.173 2.793 1.00 0.00 C ATOM 1673 CG ARG A 114 -11.096 12.640 2.856 1.00 0.00 C ATOM 1674 CD ARG A 114 -12.545 12.808 3.282 1.00 0.00 C ATOM 1675 NE ARG A 114 -13.475 12.329 2.263 1.00 0.00 N ATOM 1676 CZ ARG A 114 -14.789 12.249 2.446 1.00 0.00 C ATOM 1677 NH1 ARG A 114 -15.324 12.615 3.602 1.00 0.00 N ATOM 1678 NH2 ARG A 114 -15.569 11.802 1.470 1.00 0.00 N ATOM 0 H ARG A 114 -9.412 9.042 3.611 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.793 11.299 1.811 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.144 10.724 1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -11.121 10.655 3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.446 13.163 3.558 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -10.947 13.100 1.879 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.715 12.265 4.212 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.743 13.860 3.487 1.00 0.00 H new ATOM 0 HE ARG A 114 -13.095 12.040 1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -14.727 12.959 4.354 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -16.333 12.553 3.740 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -15.160 11.520 0.579 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -16.577 11.741 1.611 1.00 0.00 H new ATOM 1692 N THR A 115 -7.456 12.456 3.544 1.00 0.00 N ATOM 1693 CA THR A 115 -6.728 13.255 4.522 1.00 0.00 C ATOM 1694 C THR A 115 -7.677 14.133 5.330 1.00 0.00 C ATOM 1695 O THR A 115 -8.820 14.358 4.932 1.00 0.00 O ATOM 1696 CB THR A 115 -5.673 14.149 3.843 1.00 0.00 C ATOM 1697 OG1 THR A 115 -6.227 14.756 2.670 1.00 0.00 O ATOM 1698 CG2 THR A 115 -4.440 13.340 3.467 1.00 0.00 C ATOM 0 H THR A 115 -7.078 12.500 2.598 1.00 0.00 H new ATOM 0 HA THR A 115 -6.226 12.556 5.191 1.00 0.00 H new ATOM 0 HB THR A 115 -5.378 14.926 4.549 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.532 15.270 2.208 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.709 13.992 2.989 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.004 12.903 4.365 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.723 12.545 2.777 1.00 0.00 H new ATOM 1706 N ASP A 116 -7.195 14.627 6.465 1.00 0.00 N ATOM 1707 CA ASP A 116 -8.001 15.483 7.329 1.00 0.00 C ATOM 1708 C ASP A 116 -8.451 16.736 6.585 1.00 0.00 C ATOM 1709 O ASP A 116 -7.804 17.169 5.632 1.00 0.00 O ATOM 1710 CB ASP A 116 -7.208 15.873 8.578 1.00 0.00 C ATOM 1711 CG ASP A 116 -7.333 14.846 9.686 1.00 0.00 C ATOM 1712 OD1 ASP A 116 -8.455 14.345 9.909 1.00 0.00 O ATOM 1713 OD2 ASP A 116 -6.307 14.542 10.331 1.00 0.00 O ATOM 0 H ASP A 116 -6.251 14.450 6.808 1.00 0.00 H new ATOM 0 HA ASP A 116 -8.887 14.924 7.630 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.157 15.994 8.315 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.559 16.839 8.941 1.00 0.00 H new ATOM 1718 N GLU A 117 -9.564 17.313 7.028 1.00 0.00 N ATOM 1719 CA GLU A 117 -10.101 18.516 6.402 1.00 0.00 C ATOM 1720 C GLU A 117 -9.667 19.765 7.163 1.00 0.00 C ATOM 1721 O GLU A 117 -9.445 19.722 8.373 1.00 0.00 O ATOM 1722 CB GLU A 117 -11.628 18.447 6.341 1.00 0.00 C ATOM 1723 CG GLU A 117 -12.311 18.943 7.604 1.00 0.00 C ATOM 1724 CD GLU A 117 -12.087 18.022 8.788 1.00 0.00 C ATOM 1725 OE1 GLU A 117 -12.755 16.970 8.857 1.00 0.00 O ATOM 1726 OE2 GLU A 117 -11.242 18.356 9.646 1.00 0.00 O ATOM 0 H GLU A 117 -10.111 16.967 7.817 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.706 18.574 5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.976 19.038 5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.930 17.416 6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.939 19.938 7.847 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.381 19.039 7.420 1.00 0.00 H new