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 55 SER OG : rot 180:sc= -0.366 USER MOD Set 1.2: A 99 HIS : no HD1:sc= -0.2 K(o=-0.57,f=-1.5) USER MOD Set 2.1: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: 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=-1.2) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 135:sc= -0.356 (180deg=-1.36) USER MOD Single : A 27 CYS SG : rot 70:sc= -2.61 USER MOD Single : A 29 SER OG : rot 21:sc= 0.445 USER MOD Single : A 30 MET CE :methyl 156:sc= -0.0691 (180deg=-0.583) USER MOD Single : A 32 SER OG : rot -170:sc= -0.796 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.843 K(o=-0.84,f=-2!) USER MOD Single : A 52 THR OG1 : rot -111:sc= -0.995 USER MOD Single : A 53 GLN : amide:sc= -0.0358 X(o=-0.036,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : A 79 SER OG : rot -6:sc= 1.37 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 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 100:sc= 0.0358 USER MOD Single : A 100 THR OG1 : rot 37:sc= 0.637 USER MOD Single : A 108 SER OG : rot -102:sc= -1.3! USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 165:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 18 6.994 -12.255 -5.938 1.00 0.00 N ATOM 215 CA PRO A 18 5.835 -12.510 -5.078 1.00 0.00 C ATOM 216 C PRO A 18 4.520 -12.117 -5.744 1.00 0.00 C ATOM 217 O PRO A 18 4.455 -11.131 -6.477 1.00 0.00 O ATOM 218 CB PRO A 18 6.099 -11.627 -3.856 1.00 0.00 C ATOM 219 CG PRO A 18 6.974 -10.531 -4.362 1.00 0.00 C ATOM 220 CD PRO A 18 7.823 -11.145 -5.440 1.00 0.00 C ATOM 0 HA PRO A 18 5.729 -13.569 -4.842 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.170 -11.233 -3.444 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.588 -12.189 -3.060 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.379 -9.707 -4.755 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.593 -10.124 -3.562 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.051 -10.428 -6.229 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.776 -11.500 -5.047 1.00 0.00 H new ATOM 228 N SER A 19 3.475 -12.896 -5.484 1.00 0.00 N ATOM 229 CA SER A 19 2.162 -12.631 -6.061 1.00 0.00 C ATOM 230 C SER A 19 1.233 -11.996 -5.031 1.00 0.00 C ATOM 231 O SER A 19 0.770 -10.870 -5.207 1.00 0.00 O ATOM 232 CB SER A 19 1.545 -13.926 -6.592 1.00 0.00 C ATOM 233 OG SER A 19 0.240 -13.700 -7.096 1.00 0.00 O ATOM 0 H SER A 19 3.512 -13.715 -4.878 1.00 0.00 H new ATOM 0 HA SER A 19 2.290 -11.932 -6.887 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.176 -14.337 -7.380 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.507 -14.668 -5.794 1.00 0.00 H new ATOM 0 HG SER A 19 -0.132 -14.543 -7.431 1.00 0.00 H new ATOM 239 N ALA A 20 0.967 -12.728 -3.954 1.00 0.00 N ATOM 240 CA ALA A 20 0.095 -12.237 -2.893 1.00 0.00 C ATOM 241 C ALA A 20 0.682 -10.996 -2.231 1.00 0.00 C ATOM 242 O ALA A 20 0.128 -9.899 -2.310 1.00 0.00 O ATOM 243 CB ALA A 20 -0.143 -13.327 -1.859 1.00 0.00 C ATOM 0 H ALA A 20 1.342 -13.663 -3.793 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.860 -11.961 -3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.795 -12.947 -1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.614 -14.186 -2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.809 -13.631 -1.425 1.00 0.00 H new ATOM 249 N PRO A 21 1.831 -11.169 -1.560 1.00 0.00 N ATOM 250 CA PRO A 21 2.518 -10.073 -0.871 1.00 0.00 C ATOM 251 C PRO A 21 3.124 -9.066 -1.842 1.00 0.00 C ATOM 252 O PRO A 21 3.606 -9.418 -2.919 1.00 0.00 O ATOM 253 CB PRO A 21 3.621 -10.786 -0.083 1.00 0.00 C ATOM 254 CG PRO A 21 3.873 -12.045 -0.839 1.00 0.00 C ATOM 255 CD PRO A 21 2.548 -12.448 -1.424 1.00 0.00 C ATOM 0 HA PRO A 21 1.837 -9.493 -0.249 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.521 -10.175 -0.021 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.306 -10.994 0.939 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.614 -11.888 -1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.263 -12.823 -0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.668 -12.945 -2.386 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.015 -13.140 -0.772 1.00 0.00 H new ATOM 263 N PRO A 22 3.100 -7.782 -1.455 1.00 0.00 N ATOM 264 CA PRO A 22 2.528 -7.351 -0.176 1.00 0.00 C ATOM 265 C PRO A 22 1.010 -7.491 -0.143 1.00 0.00 C ATOM 266 O PRO A 22 0.316 -7.025 -1.046 1.00 0.00 O ATOM 267 CB PRO A 22 2.931 -5.877 -0.086 1.00 0.00 C ATOM 268 CG PRO A 22 3.112 -5.446 -1.501 1.00 0.00 C ATOM 269 CD PRO A 22 3.629 -6.652 -2.238 1.00 0.00 C ATOM 0 HA PRO A 22 2.887 -7.957 0.656 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.162 -5.286 0.412 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.850 -5.752 0.486 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.170 -5.102 -1.928 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.815 -4.616 -1.569 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.274 -6.676 -3.268 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.718 -6.664 -2.275 1.00 0.00 H new ATOM 277 N GLN A 23 0.503 -8.135 0.903 1.00 0.00 N ATOM 278 CA GLN A 23 -0.934 -8.336 1.052 1.00 0.00 C ATOM 279 C GLN A 23 -1.447 -7.669 2.324 1.00 0.00 C ATOM 280 O GLN A 23 -0.672 -7.339 3.221 1.00 0.00 O ATOM 281 CB GLN A 23 -1.261 -9.830 1.077 1.00 0.00 C ATOM 282 CG GLN A 23 -0.186 -10.677 1.738 1.00 0.00 C ATOM 283 CD GLN A 23 -0.627 -12.111 1.957 1.00 0.00 C ATOM 284 OE1 GLN A 23 -1.790 -12.455 1.747 1.00 0.00 O ATOM 285 NE2 GLN A 23 0.304 -12.958 2.382 1.00 0.00 N ATOM 0 H GLN A 23 1.065 -8.526 1.659 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.431 -7.877 0.197 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.204 -9.978 1.604 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.409 -10.178 0.055 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.711 -10.667 1.119 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.083 -10.233 2.696 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.256 -12.630 2.543 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.067 -13.936 2.547 1.00 0.00 H new ATOM 294 N LYS A 24 -2.760 -7.474 2.395 1.00 0.00 N ATOM 295 CA LYS A 24 -3.378 -6.847 3.558 1.00 0.00 C ATOM 296 C LYS A 24 -2.921 -5.399 3.703 1.00 0.00 C ATOM 297 O LYS A 24 -2.849 -4.869 4.812 1.00 0.00 O ATOM 298 CB LYS A 24 -3.038 -7.631 4.827 1.00 0.00 C ATOM 299 CG LYS A 24 -3.133 -9.137 4.656 1.00 0.00 C ATOM 300 CD LYS A 24 -2.923 -9.863 5.975 1.00 0.00 C ATOM 301 CE LYS A 24 -2.583 -11.329 5.756 1.00 0.00 C ATOM 302 NZ LYS A 24 -3.805 -12.179 5.703 1.00 0.00 N ATOM 0 H LYS A 24 -3.416 -7.741 1.661 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.458 -6.855 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.027 -7.373 5.143 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.711 -7.321 5.626 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.110 -9.397 4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.387 -9.470 3.934 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.120 -9.381 6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.825 -9.784 6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.024 -11.437 4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.934 -11.676 6.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.532 -13.171 5.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.325 -12.095 6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.413 -11.865 4.920 1.00 0.00 H new ATOM 316 N VAL A 25 -2.614 -4.764 2.576 1.00 0.00 N ATOM 317 CA VAL A 25 -2.167 -3.376 2.579 1.00 0.00 C ATOM 318 C VAL A 25 -3.220 -2.460 3.193 1.00 0.00 C ATOM 319 O VAL A 25 -4.258 -2.198 2.587 1.00 0.00 O ATOM 320 CB VAL A 25 -1.845 -2.888 1.154 1.00 0.00 C ATOM 321 CG1 VAL A 25 -1.370 -1.444 1.179 1.00 0.00 C ATOM 322 CG2 VAL A 25 -0.806 -3.789 0.504 1.00 0.00 C ATOM 0 H VAL A 25 -2.667 -5.188 1.650 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.260 -3.337 3.183 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.756 -2.935 0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.147 -1.117 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.151 -0.811 1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.471 -1.367 1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.591 -3.429 -0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.108 -3.777 1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.190 -4.808 0.451 1.00 0.00 H new ATOM 332 N MET A 26 -2.943 -1.976 4.399 1.00 0.00 N ATOM 333 CA MET A 26 -3.866 -1.087 5.095 1.00 0.00 C ATOM 334 C MET A 26 -3.284 0.318 5.212 1.00 0.00 C ATOM 335 O MET A 26 -2.248 0.520 5.847 1.00 0.00 O ATOM 336 CB MET A 26 -4.187 -1.637 6.486 1.00 0.00 C ATOM 337 CG MET A 26 -5.064 -2.877 6.462 1.00 0.00 C ATOM 338 SD MET A 26 -4.991 -3.810 8.003 1.00 0.00 S ATOM 339 CE MET A 26 -3.342 -4.501 7.903 1.00 0.00 C ATOM 0 H MET A 26 -2.088 -2.184 4.914 1.00 0.00 H new ATOM 0 HA MET A 26 -4.786 -1.032 4.513 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.254 -1.872 6.999 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.685 -0.861 7.068 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.096 -2.584 6.268 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.755 -3.520 5.638 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.841 -4.386 8.864 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.406 -5.560 7.651 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.775 -3.978 7.133 1.00 0.00 H new ATOM 349 N CYS A 27 -3.955 1.285 4.596 1.00 0.00 N ATOM 350 CA CYS A 27 -3.503 2.671 4.631 1.00 0.00 C ATOM 351 C CYS A 27 -4.372 3.504 5.568 1.00 0.00 C ATOM 352 O CYS A 27 -5.578 3.278 5.678 1.00 0.00 O ATOM 353 CB CYS A 27 -3.526 3.273 3.225 1.00 0.00 C ATOM 354 SG CYS A 27 -2.578 2.333 2.005 1.00 0.00 S ATOM 0 H CYS A 27 -4.814 1.135 4.066 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.480 2.683 5.007 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.560 3.345 2.889 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.134 4.289 3.270 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.182 1.208 1.759 1.00 0.00 H new ATOM 360 N VAL A 28 -3.753 4.467 6.242 1.00 0.00 N ATOM 361 CA VAL A 28 -4.470 5.333 7.171 1.00 0.00 C ATOM 362 C VAL A 28 -3.890 6.743 7.166 1.00 0.00 C ATOM 363 O VAL A 28 -2.698 6.936 7.406 1.00 0.00 O ATOM 364 CB VAL A 28 -4.426 4.776 8.606 1.00 0.00 C ATOM 365 CG1 VAL A 28 -5.426 3.642 8.770 1.00 0.00 C ATOM 366 CG2 VAL A 28 -3.020 4.312 8.954 1.00 0.00 C ATOM 0 H VAL A 28 -2.756 4.668 6.162 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.506 5.368 6.835 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.702 5.574 9.295 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.380 3.261 9.790 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.431 4.011 8.565 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.184 2.840 8.072 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.007 3.921 9.972 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.713 3.529 8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.330 5.153 8.879 1.00 0.00 H new ATOM 376 N SER A 29 -4.741 7.726 6.892 1.00 0.00 N ATOM 377 CA SER A 29 -4.313 9.120 6.853 1.00 0.00 C ATOM 378 C SER A 29 -3.820 9.575 8.223 1.00 0.00 C ATOM 379 O SER A 29 -4.548 9.501 9.212 1.00 0.00 O ATOM 380 CB SER A 29 -5.462 10.016 6.388 1.00 0.00 C ATOM 381 OG SER A 29 -6.547 9.968 7.299 1.00 0.00 O ATOM 0 H SER A 29 -5.731 7.583 6.694 1.00 0.00 H new ATOM 0 HA SER A 29 -3.489 9.202 6.144 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.110 11.043 6.291 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.798 9.699 5.401 1.00 0.00 H new ATOM 0 HG SER A 29 -6.228 9.657 8.172 1.00 0.00 H new ATOM 387 N MET A 30 -2.578 10.046 8.271 1.00 0.00 N ATOM 388 CA MET A 30 -1.987 10.515 9.519 1.00 0.00 C ATOM 389 C MET A 30 -2.447 11.934 9.839 1.00 0.00 C ATOM 390 O MET A 30 -2.660 12.281 11.000 1.00 0.00 O ATOM 391 CB MET A 30 -0.460 10.467 9.435 1.00 0.00 C ATOM 392 CG MET A 30 0.134 9.149 9.904 1.00 0.00 C ATOM 393 SD MET A 30 0.294 9.058 11.697 1.00 0.00 S ATOM 394 CE MET A 30 -1.067 7.966 12.104 1.00 0.00 C ATOM 0 H MET A 30 -1.962 10.113 7.461 1.00 0.00 H new ATOM 0 HA MET A 30 -2.320 9.855 10.320 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.155 10.647 8.404 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.046 11.277 10.036 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.494 8.328 9.557 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.115 9.015 9.448 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.868 7.476 13.057 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.988 8.544 12.179 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.174 7.212 11.324 1.00 0.00 H new ATOM 404 N GLY A 31 -2.597 12.751 8.801 1.00 0.00 N ATOM 405 CA GLY A 31 -3.030 14.122 8.993 1.00 0.00 C ATOM 406 C GLY A 31 -3.798 14.660 7.802 1.00 0.00 C ATOM 407 O GLY A 31 -4.860 14.144 7.455 1.00 0.00 O ATOM 0 H GLY A 31 -2.426 12.487 7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.657 14.180 9.882 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.160 14.752 9.175 1.00 0.00 H new ATOM 411 N SER A 32 -3.260 15.701 7.174 1.00 0.00 N ATOM 412 CA SER A 32 -3.905 16.313 6.018 1.00 0.00 C ATOM 413 C SER A 32 -3.000 16.243 4.792 1.00 0.00 C ATOM 414 O SER A 32 -3.475 16.160 3.658 1.00 0.00 O ATOM 415 CB SER A 32 -4.263 17.770 6.319 1.00 0.00 C ATOM 416 OG SER A 32 -3.155 18.625 6.095 1.00 0.00 O ATOM 0 H SER A 32 -2.379 16.138 7.446 1.00 0.00 H new ATOM 0 HA SER A 32 -4.819 15.758 5.806 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.098 18.080 5.691 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.592 17.860 7.354 1.00 0.00 H new ATOM 0 HG SER A 32 -3.357 19.519 6.441 1.00 0.00 H new ATOM 422 N THR A 33 -1.692 16.278 5.026 1.00 0.00 N ATOM 423 CA THR A 33 -0.719 16.220 3.942 1.00 0.00 C ATOM 424 C THR A 33 0.215 15.027 4.106 1.00 0.00 C ATOM 425 O THR A 33 1.180 14.872 3.356 1.00 0.00 O ATOM 426 CB THR A 33 0.120 17.509 3.871 1.00 0.00 C ATOM 427 OG1 THR A 33 0.945 17.622 5.036 1.00 0.00 O ATOM 428 CG2 THR A 33 -0.777 18.733 3.757 1.00 0.00 C ATOM 0 H THR A 33 -1.282 16.346 5.957 1.00 0.00 H new ATOM 0 HA THR A 33 -1.283 16.112 3.016 1.00 0.00 H new ATOM 0 HB THR A 33 0.751 17.457 2.984 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.477 18.444 4.982 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.162 19.632 3.708 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.382 18.658 2.853 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.431 18.787 4.628 1.00 0.00 H new ATOM 436 N THR A 34 -0.076 14.183 5.091 1.00 0.00 N ATOM 437 CA THR A 34 0.739 13.004 5.353 1.00 0.00 C ATOM 438 C THR A 34 -0.128 11.760 5.510 1.00 0.00 C ATOM 439 O THR A 34 -1.221 11.820 6.072 1.00 0.00 O ATOM 440 CB THR A 34 1.594 13.182 6.622 1.00 0.00 C ATOM 441 OG1 THR A 34 2.630 14.142 6.384 1.00 0.00 O ATOM 442 CG2 THR A 34 2.211 11.859 7.050 1.00 0.00 C ATOM 0 H THR A 34 -0.871 14.295 5.721 1.00 0.00 H new ATOM 0 HA THR A 34 1.398 12.879 4.494 1.00 0.00 H new ATOM 0 HB THR A 34 0.946 13.538 7.423 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.168 14.251 7.196 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.810 12.010 7.948 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.420 11.139 7.259 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.846 11.478 6.250 1.00 0.00 H new ATOM 450 N VAL A 35 0.367 10.632 5.009 1.00 0.00 N ATOM 451 CA VAL A 35 -0.363 9.373 5.095 1.00 0.00 C ATOM 452 C VAL A 35 0.554 8.235 5.530 1.00 0.00 C ATOM 453 O VAL A 35 1.753 8.250 5.251 1.00 0.00 O ATOM 454 CB VAL A 35 -1.012 9.007 3.747 1.00 0.00 C ATOM 455 CG1 VAL A 35 -1.752 7.683 3.852 1.00 0.00 C ATOM 456 CG2 VAL A 35 -1.948 10.116 3.289 1.00 0.00 C ATOM 0 H VAL A 35 1.270 10.565 4.540 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.146 9.511 5.841 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.224 8.896 3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.204 7.441 2.890 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.052 6.896 4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.532 7.761 4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.398 9.841 2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.732 10.260 4.032 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.385 11.042 3.171 1.00 0.00 H new ATOM 466 N ARG A 36 -0.018 7.250 6.214 1.00 0.00 N ATOM 467 CA ARG A 36 0.748 6.104 6.689 1.00 0.00 C ATOM 468 C ARG A 36 0.224 4.808 6.077 1.00 0.00 C ATOM 469 O ARG A 36 -0.920 4.418 6.311 1.00 0.00 O ATOM 470 CB ARG A 36 0.689 6.021 8.215 1.00 0.00 C ATOM 471 CG ARG A 36 1.015 4.641 8.763 1.00 0.00 C ATOM 472 CD ARG A 36 0.989 4.625 10.284 1.00 0.00 C ATOM 473 NE ARG A 36 1.861 5.646 10.857 1.00 0.00 N ATOM 474 CZ ARG A 36 3.178 5.510 10.969 1.00 0.00 C ATOM 475 NH1 ARG A 36 3.771 4.401 10.550 1.00 0.00 N ATOM 476 NH2 ARG A 36 3.904 6.484 11.502 1.00 0.00 N ATOM 0 H ARG A 36 -1.010 7.222 6.452 1.00 0.00 H new ATOM 0 HA ARG A 36 1.784 6.238 6.379 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.387 6.744 8.637 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.308 6.309 8.548 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.297 3.917 8.378 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.999 4.332 8.412 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.032 4.784 10.631 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.298 3.643 10.641 1.00 0.00 H new ATOM 0 HE ARG A 36 1.436 6.511 11.190 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.216 3.649 10.140 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.782 4.299 10.637 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.451 7.339 11.826 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.915 6.378 11.587 1.00 0.00 H new ATOM 490 N VAL A 37 1.067 4.146 5.292 1.00 0.00 N ATOM 491 CA VAL A 37 0.689 2.894 4.647 1.00 0.00 C ATOM 492 C VAL A 37 1.582 1.748 5.108 1.00 0.00 C ATOM 493 O VAL A 37 2.808 1.845 5.062 1.00 0.00 O ATOM 494 CB VAL A 37 0.768 3.008 3.113 1.00 0.00 C ATOM 495 CG1 VAL A 37 2.079 3.654 2.691 1.00 0.00 C ATOM 496 CG2 VAL A 37 0.608 1.638 2.470 1.00 0.00 C ATOM 0 H VAL A 37 2.017 4.456 5.087 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.341 2.686 4.936 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.048 3.644 2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.116 3.726 1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.148 4.652 3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.913 3.047 3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.666 1.736 1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.402 0.978 2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.359 1.218 2.745 1.00 0.00 H new ATOM 506 N SER A 38 0.958 0.661 5.551 1.00 0.00 N ATOM 507 CA SER A 38 1.696 -0.505 6.023 1.00 0.00 C ATOM 508 C SER A 38 1.112 -1.789 5.443 1.00 0.00 C ATOM 509 O SER A 38 -0.071 -1.850 5.108 1.00 0.00 O ATOM 510 CB SER A 38 1.672 -0.565 7.552 1.00 0.00 C ATOM 511 OG SER A 38 0.343 -0.625 8.039 1.00 0.00 O ATOM 0 H SER A 38 -0.056 0.563 5.593 1.00 0.00 H new ATOM 0 HA SER A 38 2.728 -0.412 5.686 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.228 -1.438 7.894 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.173 0.312 7.961 1.00 0.00 H new ATOM 0 HG SER A 38 0.355 -0.664 9.018 1.00 0.00 H new ATOM 517 N TRP A 39 1.950 -2.813 5.328 1.00 0.00 N ATOM 518 CA TRP A 39 1.518 -4.097 4.789 1.00 0.00 C ATOM 519 C TRP A 39 1.936 -5.242 5.705 1.00 0.00 C ATOM 520 O TRP A 39 2.730 -5.053 6.627 1.00 0.00 O ATOM 521 CB TRP A 39 2.101 -4.308 3.390 1.00 0.00 C ATOM 522 CG TRP A 39 3.514 -3.827 3.257 1.00 0.00 C ATOM 523 CD1 TRP A 39 4.638 -4.599 3.180 1.00 0.00 C ATOM 524 CD2 TRP A 39 3.953 -2.467 3.188 1.00 0.00 C ATOM 525 NE1 TRP A 39 5.750 -3.799 3.066 1.00 0.00 N ATOM 526 CE2 TRP A 39 5.357 -2.487 3.068 1.00 0.00 C ATOM 527 CE3 TRP A 39 3.298 -1.233 3.213 1.00 0.00 C ATOM 528 CZ2 TRP A 39 6.113 -1.322 2.975 1.00 0.00 C ATOM 529 CZ3 TRP A 39 4.050 -0.077 3.121 1.00 0.00 C ATOM 530 CH2 TRP A 39 5.445 -0.128 3.003 1.00 0.00 C ATOM 0 H TRP A 39 2.932 -2.779 5.601 1.00 0.00 H new ATOM 0 HA TRP A 39 0.430 -4.088 4.725 1.00 0.00 H new ATOM 0 HB2 TRP A 39 2.061 -5.369 3.144 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.478 -3.788 2.662 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.651 -5.679 3.205 1.00 0.00 H new ATOM 0 HE1 TRP A 39 6.712 -4.129 2.992 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.223 -1.183 3.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.189 -1.359 2.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.554 0.882 3.140 1.00 0.00 H new ATOM 0 HH2 TRP A 39 6.004 0.793 2.933 1.00 0.00 H new ATOM 541 N VAL A 40 1.398 -6.429 5.446 1.00 0.00 N ATOM 542 CA VAL A 40 1.717 -7.604 6.248 1.00 0.00 C ATOM 543 C VAL A 40 2.993 -8.276 5.754 1.00 0.00 C ATOM 544 O VAL A 40 3.126 -8.628 4.581 1.00 0.00 O ATOM 545 CB VAL A 40 0.568 -8.630 6.223 1.00 0.00 C ATOM 546 CG1 VAL A 40 0.534 -9.363 4.891 1.00 0.00 C ATOM 547 CG2 VAL A 40 0.704 -9.610 7.378 1.00 0.00 C ATOM 0 H VAL A 40 0.739 -6.603 4.687 1.00 0.00 H new ATOM 0 HA VAL A 40 1.864 -7.258 7.271 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.375 -8.096 6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.284 -10.083 4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.384 -8.645 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.478 -9.887 4.740 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.116 -10.327 7.345 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.653 -10.140 7.296 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.672 -9.066 8.322 1.00 0.00 H new ATOM 656 N ASN A 48 8.451 -16.691 -0.737 1.00 0.00 N ATOM 657 CA ASN A 48 8.307 -16.726 -2.188 1.00 0.00 C ATOM 658 C ASN A 48 9.488 -16.040 -2.869 1.00 0.00 C ATOM 659 O ASN A 48 9.976 -16.499 -3.901 1.00 0.00 O ATOM 660 CB ASN A 48 7.000 -16.052 -2.609 1.00 0.00 C ATOM 661 CG ASN A 48 6.671 -16.289 -4.070 1.00 0.00 C ATOM 662 OD1 ASN A 48 7.564 -16.378 -4.912 1.00 0.00 O ATOM 663 ND2 ASN A 48 5.383 -16.392 -4.377 1.00 0.00 N ATOM 0 HA ASN A 48 8.286 -17.770 -2.500 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.185 -16.428 -1.990 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.072 -14.980 -2.425 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.100 -16.551 -5.344 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.676 -16.312 -3.646 1.00 0.00 H new ATOM 670 N GLY A 49 9.943 -14.937 -2.282 1.00 0.00 N ATOM 671 CA GLY A 49 11.063 -14.206 -2.845 1.00 0.00 C ATOM 672 C GLY A 49 11.718 -13.282 -1.836 1.00 0.00 C ATOM 673 O GLY A 49 11.048 -12.728 -0.965 1.00 0.00 O ATOM 0 H GLY A 49 9.556 -14.537 -1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.803 -14.913 -3.220 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.720 -13.622 -3.699 1.00 0.00 H new ATOM 677 N VAL A 50 13.032 -13.118 -1.953 1.00 0.00 N ATOM 678 CA VAL A 50 13.778 -12.256 -1.044 1.00 0.00 C ATOM 679 C VAL A 50 13.446 -10.788 -1.282 1.00 0.00 C ATOM 680 O VAL A 50 13.901 -10.189 -2.257 1.00 0.00 O ATOM 681 CB VAL A 50 15.297 -12.460 -1.198 1.00 0.00 C ATOM 682 CG1 VAL A 50 15.705 -12.348 -2.659 1.00 0.00 C ATOM 683 CG2 VAL A 50 16.058 -11.456 -0.345 1.00 0.00 C ATOM 0 H VAL A 50 13.602 -13.571 -2.668 1.00 0.00 H new ATOM 0 HA VAL A 50 13.483 -12.532 -0.032 1.00 0.00 H new ATOM 0 HB VAL A 50 15.549 -13.462 -0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.781 -12.495 -2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.185 -13.109 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.441 -11.360 -3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.130 -11.614 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.803 -10.444 -0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 50 15.787 -11.589 0.702 1.00 0.00 H new ATOM 693 N ILE A 51 12.651 -10.214 -0.386 1.00 0.00 N ATOM 694 CA ILE A 51 12.259 -8.814 -0.498 1.00 0.00 C ATOM 695 C ILE A 51 13.473 -7.895 -0.413 1.00 0.00 C ATOM 696 O ILE A 51 13.894 -7.501 0.675 1.00 0.00 O ATOM 697 CB ILE A 51 11.254 -8.421 0.601 1.00 0.00 C ATOM 698 CG1 ILE A 51 10.111 -9.436 0.664 1.00 0.00 C ATOM 699 CG2 ILE A 51 10.714 -7.021 0.349 1.00 0.00 C ATOM 700 CD1 ILE A 51 9.320 -9.535 -0.622 1.00 0.00 C ATOM 0 H ILE A 51 12.265 -10.696 0.426 1.00 0.00 H new ATOM 0 HA ILE A 51 11.784 -8.696 -1.472 1.00 0.00 H new ATOM 0 HB ILE A 51 11.769 -8.423 1.562 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.520 -10.417 0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.437 -9.162 1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.005 -6.758 1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.538 -6.308 0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.211 -6.993 -0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.526 -10.273 -0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.882 -8.565 -0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.981 -9.839 -1.433 1.00 0.00 H new ATOM 712 N THR A 52 14.033 -7.555 -1.571 1.00 0.00 N ATOM 713 CA THR A 52 15.198 -6.682 -1.628 1.00 0.00 C ATOM 714 C THR A 52 14.861 -5.281 -1.131 1.00 0.00 C ATOM 715 O THR A 52 15.616 -4.687 -0.362 1.00 0.00 O ATOM 716 CB THR A 52 15.757 -6.585 -3.061 1.00 0.00 C ATOM 717 OG1 THR A 52 15.535 -7.816 -3.757 1.00 0.00 O ATOM 718 CG2 THR A 52 17.245 -6.270 -3.041 1.00 0.00 C ATOM 0 H THR A 52 13.698 -7.871 -2.481 1.00 0.00 H new ATOM 0 HA THR A 52 15.955 -7.122 -0.979 1.00 0.00 H new ATOM 0 HB THR A 52 15.237 -5.777 -3.576 1.00 0.00 H new ATOM 0 HG1 THR A 52 16.393 -8.265 -3.909 1.00 0.00 H new ATOM 0 HG21 THR A 52 17.617 -6.206 -4.064 1.00 0.00 H new ATOM 0 HG22 THR A 52 17.409 -5.318 -2.535 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.777 -7.059 -2.510 1.00 0.00 H new ATOM 726 N GLN A 53 13.722 -4.759 -1.575 1.00 0.00 N ATOM 727 CA GLN A 53 13.285 -3.427 -1.174 1.00 0.00 C ATOM 728 C GLN A 53 11.795 -3.239 -1.442 1.00 0.00 C ATOM 729 O GLN A 53 11.161 -4.070 -2.092 1.00 0.00 O ATOM 730 CB GLN A 53 14.088 -2.359 -1.918 1.00 0.00 C ATOM 731 CG GLN A 53 14.068 -2.525 -3.429 1.00 0.00 C ATOM 732 CD GLN A 53 14.898 -1.476 -4.143 1.00 0.00 C ATOM 733 OE1 GLN A 53 15.804 -1.802 -4.910 1.00 0.00 O ATOM 734 NE2 GLN A 53 14.593 -0.208 -3.893 1.00 0.00 N ATOM 0 H GLN A 53 13.086 -5.238 -2.212 1.00 0.00 H new ATOM 0 HA GLN A 53 13.459 -3.322 -0.103 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.692 -1.376 -1.664 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.121 -2.386 -1.572 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.442 -3.516 -3.687 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.038 -2.471 -3.783 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.834 0.017 -3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.118 0.541 -4.344 1.00 0.00 H new ATOM 743 N TYR A 54 11.243 -2.142 -0.937 1.00 0.00 N ATOM 744 CA TYR A 54 9.827 -1.846 -1.119 1.00 0.00 C ATOM 745 C TYR A 54 9.636 -0.509 -1.831 1.00 0.00 C ATOM 746 O TYR A 54 10.335 0.463 -1.546 1.00 0.00 O ATOM 747 CB TYR A 54 9.111 -1.823 0.233 1.00 0.00 C ATOM 748 CG TYR A 54 8.718 -3.194 0.733 1.00 0.00 C ATOM 749 CD1 TYR A 54 7.545 -3.803 0.303 1.00 0.00 C ATOM 750 CD2 TYR A 54 9.519 -3.882 1.636 1.00 0.00 C ATOM 751 CE1 TYR A 54 7.182 -5.055 0.757 1.00 0.00 C ATOM 752 CE2 TYR A 54 9.164 -5.135 2.096 1.00 0.00 C ATOM 753 CZ TYR A 54 7.995 -5.718 1.653 1.00 0.00 C ATOM 754 OH TYR A 54 7.637 -6.966 2.109 1.00 0.00 O ATOM 0 H TYR A 54 11.754 -1.443 -0.398 1.00 0.00 H new ATOM 0 HA TYR A 54 9.395 -2.632 -1.738 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.759 -1.349 0.970 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.217 -1.205 0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.906 -3.287 -0.399 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.435 -3.429 1.984 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.267 -5.513 0.413 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.798 -5.655 2.799 1.00 0.00 H new ATOM 0 HH TYR A 54 8.318 -7.294 2.733 1.00 0.00 H new ATOM 764 N SER A 55 8.685 -0.471 -2.758 1.00 0.00 N ATOM 765 CA SER A 55 8.404 0.744 -3.514 1.00 0.00 C ATOM 766 C SER A 55 6.987 1.239 -3.240 1.00 0.00 C ATOM 767 O SER A 55 6.025 0.473 -3.312 1.00 0.00 O ATOM 768 CB SER A 55 8.587 0.493 -5.012 1.00 0.00 C ATOM 769 OG SER A 55 7.382 0.040 -5.604 1.00 0.00 O ATOM 0 H SER A 55 8.096 -1.267 -3.004 1.00 0.00 H new ATOM 0 HA SER A 55 9.108 1.512 -3.193 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.913 1.411 -5.501 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.372 -0.247 -5.167 1.00 0.00 H new ATOM 0 HG SER A 55 7.525 -0.112 -6.562 1.00 0.00 H new ATOM 775 N VAL A 56 6.866 2.524 -2.923 1.00 0.00 N ATOM 776 CA VAL A 56 5.567 3.122 -2.639 1.00 0.00 C ATOM 777 C VAL A 56 5.232 4.214 -3.649 1.00 0.00 C ATOM 778 O VAL A 56 6.123 4.860 -4.199 1.00 0.00 O ATOM 779 CB VAL A 56 5.523 3.720 -1.220 1.00 0.00 C ATOM 780 CG1 VAL A 56 4.104 4.129 -0.856 1.00 0.00 C ATOM 781 CG2 VAL A 56 6.078 2.729 -0.208 1.00 0.00 C ATOM 0 H VAL A 56 7.652 3.171 -2.856 1.00 0.00 H new ATOM 0 HA VAL A 56 4.828 2.324 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 56 6.148 4.613 -1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.093 4.549 0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.747 4.876 -1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.453 3.255 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.040 3.167 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.481 1.817 -0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.111 2.492 -0.460 1.00 0.00 H new ATOM 791 N ALA A 57 3.940 4.415 -3.888 1.00 0.00 N ATOM 792 CA ALA A 57 3.486 5.431 -4.830 1.00 0.00 C ATOM 793 C ALA A 57 2.095 5.937 -4.464 1.00 0.00 C ATOM 794 O ALA A 57 1.292 5.207 -3.882 1.00 0.00 O ATOM 795 CB ALA A 57 3.492 4.876 -6.247 1.00 0.00 C ATOM 0 H ALA A 57 3.189 3.888 -3.442 1.00 0.00 H new ATOM 0 HA ALA A 57 4.175 6.274 -4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.151 5.645 -6.940 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.504 4.570 -6.514 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.826 4.015 -6.303 1.00 0.00 H new ATOM 801 N TYR A 58 1.817 7.189 -4.808 1.00 0.00 N ATOM 802 CA TYR A 58 0.524 7.794 -4.512 1.00 0.00 C ATOM 803 C TYR A 58 0.099 8.745 -5.627 1.00 0.00 C ATOM 804 O TYR A 58 0.937 9.369 -6.277 1.00 0.00 O ATOM 805 CB TYR A 58 0.580 8.544 -3.180 1.00 0.00 C ATOM 806 CG TYR A 58 1.777 9.459 -3.051 1.00 0.00 C ATOM 807 CD1 TYR A 58 3.042 8.948 -2.788 1.00 0.00 C ATOM 808 CD2 TYR A 58 1.643 10.835 -3.192 1.00 0.00 C ATOM 809 CE1 TYR A 58 4.138 9.780 -2.669 1.00 0.00 C ATOM 810 CE2 TYR A 58 2.734 11.675 -3.076 1.00 0.00 C ATOM 811 CZ TYR A 58 3.979 11.142 -2.814 1.00 0.00 C ATOM 812 OH TYR A 58 5.068 11.975 -2.696 1.00 0.00 O ATOM 0 H TYR A 58 2.470 7.805 -5.292 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.214 6.995 -4.440 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.331 9.132 -3.065 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.597 7.820 -2.365 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.170 7.882 -2.675 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.669 11.255 -3.396 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.114 9.366 -2.464 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.613 12.742 -3.190 1.00 0.00 H new ATOM 0 HH TYR A 58 4.785 12.904 -2.826 1.00 0.00 H new ATOM 822 N GLU A 59 -1.209 8.849 -5.841 1.00 0.00 N ATOM 823 CA GLU A 59 -1.745 9.724 -6.877 1.00 0.00 C ATOM 824 C GLU A 59 -3.166 10.163 -6.536 1.00 0.00 C ATOM 825 O GLU A 59 -4.038 9.334 -6.279 1.00 0.00 O ATOM 826 CB GLU A 59 -1.730 9.014 -8.232 1.00 0.00 C ATOM 827 CG GLU A 59 -2.137 9.908 -9.392 1.00 0.00 C ATOM 828 CD GLU A 59 -2.623 9.120 -10.593 1.00 0.00 C ATOM 829 OE1 GLU A 59 -1.953 8.135 -10.967 1.00 0.00 O ATOM 830 OE2 GLU A 59 -3.673 9.489 -11.159 1.00 0.00 O ATOM 0 H GLU A 59 -1.916 8.339 -5.312 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.113 10.610 -6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.729 8.625 -8.418 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.402 8.157 -8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.925 10.586 -9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.288 10.525 -9.686 1.00 0.00 H new ATOM 837 N ALA A 60 -3.391 11.473 -6.536 1.00 0.00 N ATOM 838 CA ALA A 60 -4.705 12.023 -6.229 1.00 0.00 C ATOM 839 C ALA A 60 -5.773 11.437 -7.146 1.00 0.00 C ATOM 840 O ALA A 60 -5.545 11.248 -8.341 1.00 0.00 O ATOM 841 CB ALA A 60 -4.682 13.540 -6.344 1.00 0.00 C ATOM 0 H ALA A 60 -2.679 12.173 -6.745 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.955 11.751 -5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.670 13.937 -6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.953 13.947 -5.643 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.406 13.824 -7.360 1.00 0.00 H new ATOM 847 N VAL A 61 -6.941 11.149 -6.578 1.00 0.00 N ATOM 848 CA VAL A 61 -8.045 10.584 -7.345 1.00 0.00 C ATOM 849 C VAL A 61 -8.925 11.682 -7.932 1.00 0.00 C ATOM 850 O VAL A 61 -9.371 11.590 -9.075 1.00 0.00 O ATOM 851 CB VAL A 61 -8.913 9.655 -6.477 1.00 0.00 C ATOM 852 CG1 VAL A 61 -10.021 9.027 -7.309 1.00 0.00 C ATOM 853 CG2 VAL A 61 -8.055 8.583 -5.821 1.00 0.00 C ATOM 0 H VAL A 61 -7.146 11.298 -5.590 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.603 10.004 -8.156 1.00 0.00 H new ATOM 0 HB VAL A 61 -9.376 10.250 -5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.624 8.374 -6.678 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.652 9.812 -7.726 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.582 8.445 -8.119 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.685 7.935 -5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.562 7.989 -6.591 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.302 9.055 -5.190 1.00 0.00 H new ATOM 863 N ASP A 62 -9.170 12.721 -7.141 1.00 0.00 N ATOM 864 CA ASP A 62 -9.996 13.839 -7.583 1.00 0.00 C ATOM 865 C ASP A 62 -9.295 15.169 -7.322 1.00 0.00 C ATOM 866 O ASP A 62 -9.911 16.231 -7.392 1.00 0.00 O ATOM 867 CB ASP A 62 -11.349 13.814 -6.870 1.00 0.00 C ATOM 868 CG ASP A 62 -11.252 14.269 -5.427 1.00 0.00 C ATOM 869 OD1 ASP A 62 -10.684 13.520 -4.605 1.00 0.00 O ATOM 870 OD2 ASP A 62 -11.744 15.375 -5.120 1.00 0.00 O ATOM 0 H ASP A 62 -8.809 12.812 -6.191 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.157 13.738 -8.656 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.050 14.456 -7.404 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.755 12.803 -6.903 1.00 0.00 H new ATOM 875 N GLY A 63 -8.002 15.101 -7.020 1.00 0.00 N ATOM 876 CA GLY A 63 -7.239 16.306 -6.752 1.00 0.00 C ATOM 877 C GLY A 63 -6.866 17.050 -8.019 1.00 0.00 C ATOM 878 O GLY A 63 -7.002 16.519 -9.121 1.00 0.00 O ATOM 0 H GLY A 63 -7.470 14.233 -6.956 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.820 16.964 -6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.332 16.044 -6.208 1.00 0.00 H new ATOM 882 N GLU A 64 -6.397 18.284 -7.863 1.00 0.00 N ATOM 883 CA GLU A 64 -6.007 19.102 -9.005 1.00 0.00 C ATOM 884 C GLU A 64 -4.882 18.437 -9.793 1.00 0.00 C ATOM 885 O GLU A 64 -4.942 18.340 -11.019 1.00 0.00 O ATOM 886 CB GLU A 64 -5.565 20.491 -8.539 1.00 0.00 C ATOM 887 CG GLU A 64 -6.721 21.403 -8.162 1.00 0.00 C ATOM 888 CD GLU A 64 -7.940 21.192 -9.039 1.00 0.00 C ATOM 889 OE1 GLU A 64 -7.806 21.299 -10.276 1.00 0.00 O ATOM 890 OE2 GLU A 64 -9.028 20.921 -8.489 1.00 0.00 O ATOM 0 H GLU A 64 -6.278 18.739 -6.958 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.874 19.204 -9.658 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.903 20.383 -7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.984 20.963 -9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.992 21.228 -7.121 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.399 22.442 -8.237 1.00 0.00 H new ATOM 897 N ASP A 65 -3.858 17.981 -9.080 1.00 0.00 N ATOM 898 CA ASP A 65 -2.720 17.324 -9.711 1.00 0.00 C ATOM 899 C ASP A 65 -2.892 15.808 -9.699 1.00 0.00 C ATOM 900 O ASP A 65 -2.981 15.192 -8.637 1.00 0.00 O ATOM 901 CB ASP A 65 -1.422 17.708 -8.997 1.00 0.00 C ATOM 902 CG ASP A 65 -0.192 17.190 -9.715 1.00 0.00 C ATOM 903 OD1 ASP A 65 -0.222 17.106 -10.961 1.00 0.00 O ATOM 904 OD2 ASP A 65 0.802 16.869 -9.031 1.00 0.00 O ATOM 0 H ASP A 65 -3.793 18.054 -8.065 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.668 17.658 -10.747 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.362 18.793 -8.917 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.439 17.314 -7.981 1.00 0.00 H new ATOM 909 N ARG A 66 -2.939 15.214 -10.887 1.00 0.00 N ATOM 910 CA ARG A 66 -3.102 13.771 -11.013 1.00 0.00 C ATOM 911 C ARG A 66 -1.751 13.083 -11.183 1.00 0.00 C ATOM 912 O ARG A 66 -1.669 11.976 -11.713 1.00 0.00 O ATOM 913 CB ARG A 66 -4.007 13.441 -12.202 1.00 0.00 C ATOM 914 CG ARG A 66 -5.484 13.389 -11.847 1.00 0.00 C ATOM 915 CD ARG A 66 -5.886 12.016 -11.332 1.00 0.00 C ATOM 916 NE ARG A 66 -6.160 11.082 -12.421 1.00 0.00 N ATOM 917 CZ ARG A 66 -7.316 11.032 -13.073 1.00 0.00 C ATOM 918 NH1 ARG A 66 -8.300 11.859 -12.749 1.00 0.00 N ATOM 919 NH2 ARG A 66 -7.489 10.154 -14.053 1.00 0.00 N ATOM 0 H ARG A 66 -2.867 15.710 -11.776 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.565 13.402 -10.098 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.855 14.188 -12.981 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.708 12.479 -12.619 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.704 14.141 -11.090 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.079 13.638 -12.726 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.090 11.617 -10.704 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.771 12.110 -10.703 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.423 10.433 -12.696 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.170 12.536 -11.997 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.187 11.818 -13.252 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.734 9.517 -14.306 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.377 10.116 -14.553 1.00 0.00 H new ATOM 933 N GLY A 67 -0.693 13.747 -10.728 1.00 0.00 N ATOM 934 CA GLY A 67 0.640 13.185 -10.839 1.00 0.00 C ATOM 935 C GLY A 67 0.920 12.141 -9.777 1.00 0.00 C ATOM 936 O GLY A 67 0.843 12.426 -8.581 1.00 0.00 O ATOM 0 H GLY A 67 -0.735 14.664 -10.284 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.761 12.737 -11.825 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.376 13.985 -10.760 1.00 0.00 H new ATOM 940 N ARG A 68 1.242 10.928 -10.212 1.00 0.00 N ATOM 941 CA ARG A 68 1.531 9.836 -9.289 1.00 0.00 C ATOM 942 C ARG A 68 2.982 9.890 -8.821 1.00 0.00 C ATOM 943 O ARG A 68 3.909 9.748 -9.619 1.00 0.00 O ATOM 944 CB ARG A 68 1.249 8.489 -9.956 1.00 0.00 C ATOM 945 CG ARG A 68 1.482 7.297 -9.042 1.00 0.00 C ATOM 946 CD ARG A 68 1.802 6.040 -9.836 1.00 0.00 C ATOM 947 NE ARG A 68 0.593 5.350 -10.278 1.00 0.00 N ATOM 948 CZ ARG A 68 0.563 4.503 -11.301 1.00 0.00 C ATOM 949 NH1 ARG A 68 1.670 4.242 -11.983 1.00 0.00 N ATOM 950 NH2 ARG A 68 -0.576 3.913 -11.643 1.00 0.00 N ATOM 0 H ARG A 68 1.310 10.676 -11.198 1.00 0.00 H new ATOM 0 HA ARG A 68 0.883 9.946 -8.420 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.216 8.474 -10.303 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.882 8.390 -10.837 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.303 7.516 -8.359 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.596 7.127 -8.431 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.407 6.303 -10.704 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.400 5.366 -9.223 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.276 5.528 -9.774 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.548 4.692 -11.723 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.644 3.591 -12.768 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.429 4.110 -11.120 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.598 3.263 -12.429 1.00 0.00 H new ATOM 964 N HIS A 69 3.172 10.097 -7.522 1.00 0.00 N ATOM 965 CA HIS A 69 4.510 10.169 -6.946 1.00 0.00 C ATOM 966 C HIS A 69 5.013 8.781 -6.563 1.00 0.00 C ATOM 967 O HIS A 69 4.228 7.843 -6.419 1.00 0.00 O ATOM 968 CB HIS A 69 4.513 11.082 -5.720 1.00 0.00 C ATOM 969 CG HIS A 69 4.661 12.534 -6.054 1.00 0.00 C ATOM 970 ND1 HIS A 69 5.767 13.279 -5.702 1.00 0.00 N ATOM 971 CD2 HIS A 69 3.835 13.379 -6.714 1.00 0.00 C ATOM 972 CE1 HIS A 69 5.614 14.519 -6.130 1.00 0.00 C ATOM 973 NE2 HIS A 69 4.450 14.607 -6.748 1.00 0.00 N ATOM 0 H HIS A 69 2.416 10.218 -6.848 1.00 0.00 H new ATOM 0 HA HIS A 69 5.180 10.583 -7.699 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.584 10.938 -5.168 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.327 10.785 -5.058 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.871 13.134 -7.136 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.321 15.325 -5.997 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.070 15.449 -7.180 1.00 0.00 H new ATOM 982 N VAL A 70 6.326 8.656 -6.399 1.00 0.00 N ATOM 983 CA VAL A 70 6.933 7.382 -6.032 1.00 0.00 C ATOM 984 C VAL A 70 8.068 7.582 -5.034 1.00 0.00 C ATOM 985 O VAL A 70 8.955 8.410 -5.243 1.00 0.00 O ATOM 986 CB VAL A 70 7.476 6.642 -7.268 1.00 0.00 C ATOM 987 CG1 VAL A 70 8.135 5.333 -6.861 1.00 0.00 C ATOM 988 CG2 VAL A 70 6.361 6.397 -8.274 1.00 0.00 C ATOM 0 H VAL A 70 6.990 9.422 -6.515 1.00 0.00 H new ATOM 0 HA VAL A 70 6.150 6.779 -5.572 1.00 0.00 H new ATOM 0 HB VAL A 70 8.231 7.269 -7.742 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.513 4.824 -7.748 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.962 5.538 -6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.404 4.697 -6.362 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.762 5.873 -9.141 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.581 5.791 -7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.939 7.351 -8.590 1.00 0.00 H new ATOM 998 N VAL A 71 8.035 6.817 -3.947 1.00 0.00 N ATOM 999 CA VAL A 71 9.061 6.908 -2.916 1.00 0.00 C ATOM 1000 C VAL A 71 10.266 6.041 -3.262 1.00 0.00 C ATOM 1001 O VAL A 71 10.117 4.903 -3.707 1.00 0.00 O ATOM 1002 CB VAL A 71 8.515 6.483 -1.540 1.00 0.00 C ATOM 1003 CG1 VAL A 71 9.575 6.665 -0.464 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.258 7.270 -1.200 1.00 0.00 C ATOM 0 H VAL A 71 7.308 6.127 -3.758 1.00 0.00 H new ATOM 0 HA VAL A 71 9.370 7.952 -2.869 1.00 0.00 H new ATOM 0 HB VAL A 71 8.254 5.426 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.170 6.359 0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.445 6.053 -0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.870 7.713 -0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.886 6.957 -0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.491 8.335 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.496 7.083 -1.956 1.00 0.00 H new ATOM 1014 N ASP A 72 11.460 6.586 -3.054 1.00 0.00 N ATOM 1015 CA ASP A 72 12.692 5.861 -3.343 1.00 0.00 C ATOM 1016 C ASP A 72 13.588 5.800 -2.110 1.00 0.00 C ATOM 1017 O ASP A 72 13.567 6.698 -1.269 1.00 0.00 O ATOM 1018 CB ASP A 72 13.440 6.525 -4.500 1.00 0.00 C ATOM 1019 CG ASP A 72 13.386 8.039 -4.432 1.00 0.00 C ATOM 1020 OD1 ASP A 72 14.241 8.633 -3.743 1.00 0.00 O ATOM 1021 OD2 ASP A 72 12.487 8.630 -5.067 1.00 0.00 O ATOM 0 H ASP A 72 11.601 7.527 -2.686 1.00 0.00 H new ATOM 0 HA ASP A 72 12.427 4.843 -3.629 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.481 6.201 -4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.011 6.191 -5.445 1.00 0.00 H new ATOM 1026 N GLY A 73 14.374 4.733 -2.008 1.00 0.00 N ATOM 1027 CA GLY A 73 15.265 4.573 -0.874 1.00 0.00 C ATOM 1028 C GLY A 73 14.560 4.009 0.344 1.00 0.00 C ATOM 1029 O GLY A 73 14.672 4.554 1.442 1.00 0.00 O ATOM 0 H GLY A 73 14.410 3.976 -2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.087 3.913 -1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.703 5.539 -0.621 1.00 0.00 H new ATOM 1033 N ILE A 74 13.829 2.917 0.148 1.00 0.00 N ATOM 1034 CA ILE A 74 13.102 2.280 1.239 1.00 0.00 C ATOM 1035 C ILE A 74 13.714 0.928 1.592 1.00 0.00 C ATOM 1036 O ILE A 74 13.925 0.085 0.721 1.00 0.00 O ATOM 1037 CB ILE A 74 11.616 2.082 0.886 1.00 0.00 C ATOM 1038 CG1 ILE A 74 10.931 3.436 0.692 1.00 0.00 C ATOM 1039 CG2 ILE A 74 10.916 1.278 1.971 1.00 0.00 C ATOM 1040 CD1 ILE A 74 9.509 3.327 0.187 1.00 0.00 C ATOM 0 H ILE A 74 13.724 2.455 -0.755 1.00 0.00 H new ATOM 0 HA ILE A 74 13.177 2.946 2.099 1.00 0.00 H new ATOM 0 HB ILE A 74 11.551 1.526 -0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.931 3.973 1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.513 4.031 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.867 1.147 1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.392 0.302 2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.987 1.809 2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.086 4.325 0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.503 2.818 -0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.912 2.759 0.901 1.00 0.00 H new ATOM 1052 N SER A 75 13.994 0.728 2.876 1.00 0.00 N ATOM 1053 CA SER A 75 14.583 -0.521 3.345 1.00 0.00 C ATOM 1054 C SER A 75 13.570 -1.659 3.274 1.00 0.00 C ATOM 1055 O SER A 75 12.368 -1.446 3.431 1.00 0.00 O ATOM 1056 CB SER A 75 15.091 -0.363 4.779 1.00 0.00 C ATOM 1057 OG SER A 75 16.200 -1.211 5.024 1.00 0.00 O ATOM 0 H SER A 75 13.822 1.415 3.610 1.00 0.00 H new ATOM 0 HA SER A 75 15.423 -0.765 2.695 1.00 0.00 H new ATOM 0 HB2 SER A 75 15.377 0.674 4.955 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.289 -0.596 5.480 1.00 0.00 H new ATOM 0 HG SER A 75 16.507 -1.090 5.947 1.00 0.00 H new ATOM 1063 N ARG A 76 14.065 -2.870 3.037 1.00 0.00 N ATOM 1064 CA ARG A 76 13.204 -4.042 2.944 1.00 0.00 C ATOM 1065 C ARG A 76 12.647 -4.417 4.314 1.00 0.00 C ATOM 1066 O ARG A 76 11.714 -5.213 4.418 1.00 0.00 O ATOM 1067 CB ARG A 76 13.978 -5.224 2.356 1.00 0.00 C ATOM 1068 CG ARG A 76 15.236 -5.576 3.132 1.00 0.00 C ATOM 1069 CD ARG A 76 16.297 -6.183 2.228 1.00 0.00 C ATOM 1070 NE ARG A 76 17.167 -5.165 1.645 1.00 0.00 N ATOM 1071 CZ ARG A 76 18.008 -4.422 2.355 1.00 0.00 C ATOM 1072 NH1 ARG A 76 18.092 -4.582 3.669 1.00 0.00 N ATOM 1073 NH2 ARG A 76 18.767 -3.516 1.752 1.00 0.00 N ATOM 0 H ARG A 76 15.058 -3.064 2.906 1.00 0.00 H new ATOM 0 HA ARG A 76 12.370 -3.798 2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.325 -6.096 2.325 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.250 -4.993 1.326 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.633 -4.680 3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.989 -6.279 3.928 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.899 -6.890 2.799 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.814 -6.747 1.430 1.00 0.00 H new ATOM 0 HE ARG A 76 17.126 -5.017 0.637 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.510 -5.277 4.136 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.739 -4.010 4.212 1.00 0.00 H new ATOM 0 HH21 ARG A 76 18.705 -3.389 0.742 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.412 -2.946 2.299 1.00 0.00 H new ATOM 1087 N GLU A 77 13.226 -3.839 5.362 1.00 0.00 N ATOM 1088 CA GLU A 77 12.788 -4.114 6.725 1.00 0.00 C ATOM 1089 C GLU A 77 11.673 -3.158 7.141 1.00 0.00 C ATOM 1090 O GLU A 77 11.199 -3.197 8.277 1.00 0.00 O ATOM 1091 CB GLU A 77 13.964 -3.998 7.696 1.00 0.00 C ATOM 1092 CG GLU A 77 15.008 -5.087 7.521 1.00 0.00 C ATOM 1093 CD GLU A 77 14.393 -6.446 7.244 1.00 0.00 C ATOM 1094 OE1 GLU A 77 13.760 -7.008 8.163 1.00 0.00 O ATOM 1095 OE2 GLU A 77 14.545 -6.947 6.111 1.00 0.00 O ATOM 0 H GLU A 77 13.999 -3.178 5.293 1.00 0.00 H new ATOM 0 HA GLU A 77 12.401 -5.132 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 77 14.439 -3.026 7.563 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.585 -4.030 8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 77 15.673 -4.819 6.700 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.620 -5.146 8.421 1.00 0.00 H new ATOM 1102 N HIS A 78 11.260 -2.301 6.214 1.00 0.00 N ATOM 1103 CA HIS A 78 10.202 -1.334 6.483 1.00 0.00 C ATOM 1104 C HIS A 78 8.908 -1.735 5.781 1.00 0.00 C ATOM 1105 O HIS A 78 8.717 -1.447 4.599 1.00 0.00 O ATOM 1106 CB HIS A 78 10.630 0.063 6.032 1.00 0.00 C ATOM 1107 CG HIS A 78 11.326 0.850 7.098 1.00 0.00 C ATOM 1108 ND1 HIS A 78 10.668 1.716 7.946 1.00 0.00 N ATOM 1109 CD2 HIS A 78 12.631 0.897 7.454 1.00 0.00 C ATOM 1110 CE1 HIS A 78 11.538 2.263 8.775 1.00 0.00 C ATOM 1111 NE2 HIS A 78 12.737 1.783 8.499 1.00 0.00 N ATOM 0 H HIS A 78 11.642 -2.256 5.269 1.00 0.00 H new ATOM 0 HA HIS A 78 10.022 -1.320 7.558 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.291 -0.029 5.170 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.750 0.614 5.701 1.00 0.00 H new ATOM 0 HD2 HIS A 78 13.439 0.341 7.001 1.00 0.00 H new ATOM 0 HE1 HIS A 78 11.308 2.981 9.548 1.00 0.00 H new ATOM 0 HE2 HIS A 78 13.601 2.030 8.983 1.00 0.00 H new ATOM 1120 N SER A 79 8.023 -2.401 6.515 1.00 0.00 N ATOM 1121 CA SER A 79 6.750 -2.845 5.961 1.00 0.00 C ATOM 1122 C SER A 79 5.722 -1.718 5.989 1.00 0.00 C ATOM 1123 O SER A 79 4.523 -1.952 5.841 1.00 0.00 O ATOM 1124 CB SER A 79 6.222 -4.051 6.742 1.00 0.00 C ATOM 1125 OG SER A 79 5.349 -4.832 5.945 1.00 0.00 O ATOM 0 H SER A 79 8.164 -2.645 7.495 1.00 0.00 H new ATOM 0 HA SER A 79 6.916 -3.137 4.924 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.058 -4.664 7.079 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.697 -3.709 7.634 1.00 0.00 H new ATOM 0 HG SER A 79 5.198 -4.382 5.088 1.00 0.00 H new ATOM 1131 N SER A 80 6.202 -0.493 6.179 1.00 0.00 N ATOM 1132 CA SER A 80 5.326 0.672 6.231 1.00 0.00 C ATOM 1133 C SER A 80 6.083 1.938 5.842 1.00 0.00 C ATOM 1134 O SER A 80 7.311 1.986 5.910 1.00 0.00 O ATOM 1135 CB SER A 80 4.733 0.828 7.632 1.00 0.00 C ATOM 1136 OG SER A 80 5.749 1.044 8.595 1.00 0.00 O ATOM 0 H SER A 80 7.193 -0.282 6.299 1.00 0.00 H new ATOM 0 HA SER A 80 4.517 0.520 5.517 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.034 1.664 7.643 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.166 -0.066 7.892 1.00 0.00 H new ATOM 0 HG SER A 80 5.344 1.142 9.482 1.00 0.00 H new ATOM 1142 N TRP A 81 5.340 2.961 5.435 1.00 0.00 N ATOM 1143 CA TRP A 81 5.940 4.229 5.034 1.00 0.00 C ATOM 1144 C TRP A 81 4.980 5.387 5.279 1.00 0.00 C ATOM 1145 O TRP A 81 3.764 5.233 5.160 1.00 0.00 O ATOM 1146 CB TRP A 81 6.340 4.184 3.559 1.00 0.00 C ATOM 1147 CG TRP A 81 7.149 5.369 3.126 1.00 0.00 C ATOM 1148 CD1 TRP A 81 6.692 6.483 2.481 1.00 0.00 C ATOM 1149 CD2 TRP A 81 8.557 5.557 3.306 1.00 0.00 C ATOM 1150 NE1 TRP A 81 7.731 7.352 2.249 1.00 0.00 N ATOM 1151 CE2 TRP A 81 8.886 6.807 2.747 1.00 0.00 C ATOM 1152 CE3 TRP A 81 9.572 4.792 3.888 1.00 0.00 C ATOM 1153 CZ2 TRP A 81 10.185 7.306 2.751 1.00 0.00 C ATOM 1154 CZ3 TRP A 81 10.861 5.288 3.891 1.00 0.00 C ATOM 1155 CH2 TRP A 81 11.159 6.536 3.327 1.00 0.00 C ATOM 0 H TRP A 81 4.322 2.938 5.374 1.00 0.00 H new ATOM 0 HA TRP A 81 6.832 4.388 5.640 1.00 0.00 H new ATOM 0 HB2 TRP A 81 6.912 3.275 3.373 1.00 0.00 H new ATOM 0 HB3 TRP A 81 5.440 4.125 2.948 1.00 0.00 H new ATOM 0 HD1 TRP A 81 5.665 6.656 2.195 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.655 8.256 1.782 1.00 0.00 H new ATOM 0 HE3 TRP A 81 9.352 3.830 4.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 10.416 8.267 2.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 11.653 4.704 4.336 1.00 0.00 H new ATOM 0 HH2 TRP A 81 12.177 6.897 3.347 1.00 0.00 H new ATOM 1166 N ASP A 82 5.532 6.546 5.621 1.00 0.00 N ATOM 1167 CA ASP A 82 4.723 7.731 5.882 1.00 0.00 C ATOM 1168 C ASP A 82 4.891 8.759 4.767 1.00 0.00 C ATOM 1169 O ASP A 82 5.891 9.476 4.714 1.00 0.00 O ATOM 1170 CB ASP A 82 5.106 8.351 7.226 1.00 0.00 C ATOM 1171 CG ASP A 82 6.564 8.124 7.574 1.00 0.00 C ATOM 1172 OD1 ASP A 82 6.932 6.966 7.862 1.00 0.00 O ATOM 1173 OD2 ASP A 82 7.338 9.105 7.558 1.00 0.00 O ATOM 0 H ASP A 82 6.536 6.690 5.724 1.00 0.00 H new ATOM 0 HA ASP A 82 3.677 7.426 5.917 1.00 0.00 H new ATOM 0 HB2 ASP A 82 4.904 9.422 7.199 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.478 7.928 8.010 1.00 0.00 H new ATOM 1178 N LEU A 83 3.907 8.826 3.877 1.00 0.00 N ATOM 1179 CA LEU A 83 3.946 9.765 2.762 1.00 0.00 C ATOM 1180 C LEU A 83 3.807 11.202 3.256 1.00 0.00 C ATOM 1181 O LEU A 83 3.080 11.474 4.212 1.00 0.00 O ATOM 1182 CB LEU A 83 2.832 9.448 1.763 1.00 0.00 C ATOM 1183 CG LEU A 83 2.882 8.061 1.121 1.00 0.00 C ATOM 1184 CD1 LEU A 83 1.637 7.816 0.282 1.00 0.00 C ATOM 1185 CD2 LEU A 83 4.137 7.911 0.273 1.00 0.00 C ATOM 0 H LEU A 83 3.072 8.241 3.906 1.00 0.00 H new ATOM 0 HA LEU A 83 4.911 9.662 2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.874 9.557 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.859 10.195 0.970 1.00 0.00 H new ATOM 0 HG LEU A 83 2.913 7.315 1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.690 6.824 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.753 7.880 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.575 8.568 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.156 6.918 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.137 8.665 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.018 8.042 0.901 1.00 0.00 H new ATOM 1197 N VAL A 84 4.507 12.119 2.596 1.00 0.00 N ATOM 1198 CA VAL A 84 4.460 13.529 2.965 1.00 0.00 C ATOM 1199 C VAL A 84 4.467 14.421 1.729 1.00 0.00 C ATOM 1200 O VAL A 84 5.324 14.284 0.857 1.00 0.00 O ATOM 1201 CB VAL A 84 5.647 13.913 3.869 1.00 0.00 C ATOM 1202 CG1 VAL A 84 5.666 13.049 5.121 1.00 0.00 C ATOM 1203 CG2 VAL A 84 6.958 13.790 3.107 1.00 0.00 C ATOM 0 H VAL A 84 5.114 11.911 1.803 1.00 0.00 H new ATOM 0 HA VAL A 84 3.531 13.681 3.514 1.00 0.00 H new ATOM 0 HB VAL A 84 5.527 14.952 4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.511 13.335 5.747 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.739 13.192 5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.762 12.001 4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.786 14.065 3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.088 12.762 2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.941 14.455 2.244 1.00 0.00 H new ATOM 1213 N GLY A 85 3.506 15.337 1.662 1.00 0.00 N ATOM 1214 CA GLY A 85 3.419 16.240 0.528 1.00 0.00 C ATOM 1215 C GLY A 85 2.183 15.996 -0.314 1.00 0.00 C ATOM 1216 O GLY A 85 2.277 15.813 -1.529 1.00 0.00 O ATOM 0 H GLY A 85 2.786 15.470 2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.413 17.269 0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.307 16.124 -0.094 1.00 0.00 H new ATOM 1220 N LEU A 86 1.022 15.990 0.330 1.00 0.00 N ATOM 1221 CA LEU A 86 -0.239 15.765 -0.368 1.00 0.00 C ATOM 1222 C LEU A 86 -1.237 16.878 -0.063 1.00 0.00 C ATOM 1223 O LEU A 86 -0.988 17.731 0.787 1.00 0.00 O ATOM 1224 CB LEU A 86 -0.831 14.412 0.030 1.00 0.00 C ATOM 1225 CG LEU A 86 0.163 13.257 0.162 1.00 0.00 C ATOM 1226 CD1 LEU A 86 -0.482 12.074 0.866 1.00 0.00 C ATOM 1227 CD2 LEU A 86 0.686 12.845 -1.207 1.00 0.00 C ATOM 0 H LEU A 86 0.927 16.138 1.335 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.037 15.766 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.348 14.530 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.583 14.135 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 86 1.006 13.596 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.241 11.263 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.806 12.376 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.344 11.734 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.392 12.022 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.147 12.525 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.188 13.692 -1.675 1.00 0.00 H new ATOM 1239 N GLU A 87 -2.367 16.861 -0.763 1.00 0.00 N ATOM 1240 CA GLU A 87 -3.403 17.868 -0.565 1.00 0.00 C ATOM 1241 C GLU A 87 -4.272 17.526 0.641 1.00 0.00 C ATOM 1242 O GLU A 87 -4.314 16.378 1.085 1.00 0.00 O ATOM 1243 CB GLU A 87 -4.274 17.989 -1.818 1.00 0.00 C ATOM 1244 CG GLU A 87 -4.836 19.383 -2.036 1.00 0.00 C ATOM 1245 CD GLU A 87 -3.870 20.294 -2.768 1.00 0.00 C ATOM 1246 OE1 GLU A 87 -3.582 20.023 -3.952 1.00 0.00 O ATOM 1247 OE2 GLU A 87 -3.402 21.277 -2.156 1.00 0.00 O ATOM 0 H GLU A 87 -2.588 16.162 -1.472 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.913 18.824 -0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.684 17.704 -2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.099 17.281 -1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.764 19.312 -2.604 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.086 19.825 -1.071 1.00 0.00 H new ATOM 1254 N LYS A 88 -4.963 18.530 1.168 1.00 0.00 N ATOM 1255 CA LYS A 88 -5.833 18.338 2.323 1.00 0.00 C ATOM 1256 C LYS A 88 -7.278 18.125 1.886 1.00 0.00 C ATOM 1257 O LYS A 88 -7.774 18.811 0.993 1.00 0.00 O ATOM 1258 CB LYS A 88 -5.745 19.546 3.260 1.00 0.00 C ATOM 1259 CG LYS A 88 -4.321 19.974 3.568 1.00 0.00 C ATOM 1260 CD LYS A 88 -3.835 21.036 2.596 1.00 0.00 C ATOM 1261 CE LYS A 88 -2.550 21.689 3.080 1.00 0.00 C ATOM 1262 NZ LYS A 88 -2.167 22.854 2.235 1.00 0.00 N ATOM 0 H LYS A 88 -4.938 19.486 0.814 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.498 17.448 2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.278 20.384 2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.254 19.309 4.194 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.268 20.360 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.661 19.107 3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.669 20.586 1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.606 21.796 2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.675 22.015 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.744 20.955 3.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.286 23.271 2.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.023 22.539 1.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.924 23.566 2.262 1.00 0.00 H new ATOM 1276 N TRP A 89 -7.949 17.171 2.522 1.00 0.00 N ATOM 1277 CA TRP A 89 -9.339 16.868 2.200 1.00 0.00 C ATOM 1278 C TRP A 89 -9.462 16.328 0.779 1.00 0.00 C ATOM 1279 O TRP A 89 -10.338 16.744 0.020 1.00 0.00 O ATOM 1280 CB TRP A 89 -10.205 18.119 2.360 1.00 0.00 C ATOM 1281 CG TRP A 89 -11.561 17.833 2.931 1.00 0.00 C ATOM 1282 CD1 TRP A 89 -11.894 16.818 3.782 1.00 0.00 C ATOM 1283 CD2 TRP A 89 -12.764 18.569 2.691 1.00 0.00 C ATOM 1284 NE1 TRP A 89 -13.233 16.879 4.085 1.00 0.00 N ATOM 1285 CE2 TRP A 89 -13.789 17.945 3.429 1.00 0.00 C ATOM 1286 CE3 TRP A 89 -13.076 19.696 1.926 1.00 0.00 C ATOM 1287 CZ2 TRP A 89 -15.101 18.411 3.422 1.00 0.00 C ATOM 1288 CZ3 TRP A 89 -14.379 20.157 1.919 1.00 0.00 C ATOM 1289 CH2 TRP A 89 -15.378 19.516 2.664 1.00 0.00 C ATOM 0 H TRP A 89 -7.553 16.594 3.264 1.00 0.00 H new ATOM 0 HA TRP A 89 -9.688 16.102 2.892 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -9.689 18.829 3.006 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -10.322 18.598 1.388 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -11.206 16.077 4.161 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -13.732 16.235 4.699 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -12.312 20.198 1.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -15.873 17.918 3.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -14.632 21.026 1.329 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -16.386 19.902 2.639 1.00 0.00 H new ATOM 1300 N THR A 90 -8.580 15.399 0.425 1.00 0.00 N ATOM 1301 CA THR A 90 -8.591 14.803 -0.905 1.00 0.00 C ATOM 1302 C THR A 90 -8.153 13.344 -0.857 1.00 0.00 C ATOM 1303 O THR A 90 -7.132 13.012 -0.256 1.00 0.00 O ATOM 1304 CB THR A 90 -7.671 15.571 -1.873 1.00 0.00 C ATOM 1305 OG1 THR A 90 -8.170 16.898 -2.074 1.00 0.00 O ATOM 1306 CG2 THR A 90 -7.571 14.854 -3.210 1.00 0.00 C ATOM 0 H THR A 90 -7.849 15.043 1.041 1.00 0.00 H new ATOM 0 HA THR A 90 -9.617 14.860 -1.268 1.00 0.00 H new ATOM 0 HB THR A 90 -6.676 15.620 -1.430 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.579 17.380 -2.689 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.916 15.416 -3.876 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.163 13.855 -3.057 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.562 14.777 -3.656 1.00 0.00 H new ATOM 1314 N GLU A 91 -8.932 12.476 -1.496 1.00 0.00 N ATOM 1315 CA GLU A 91 -8.623 11.051 -1.525 1.00 0.00 C ATOM 1316 C GLU A 91 -7.366 10.783 -2.347 1.00 0.00 C ATOM 1317 O GLU A 91 -7.126 11.434 -3.365 1.00 0.00 O ATOM 1318 CB GLU A 91 -9.801 10.263 -2.102 1.00 0.00 C ATOM 1319 CG GLU A 91 -9.863 8.823 -1.622 1.00 0.00 C ATOM 1320 CD GLU A 91 -10.540 8.687 -0.271 1.00 0.00 C ATOM 1321 OE1 GLU A 91 -10.256 9.513 0.621 1.00 0.00 O ATOM 1322 OE2 GLU A 91 -11.355 7.754 -0.108 1.00 0.00 O ATOM 0 H GLU A 91 -9.780 12.734 -2.000 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.443 10.724 -0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.730 10.767 -1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.735 10.272 -3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.400 8.222 -2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.852 8.421 -1.560 1.00 0.00 H new ATOM 1329 N TYR A 92 -6.566 9.822 -1.898 1.00 0.00 N ATOM 1330 CA TYR A 92 -5.332 9.470 -2.590 1.00 0.00 C ATOM 1331 C TYR A 92 -5.166 7.956 -2.670 1.00 0.00 C ATOM 1332 O TYR A 92 -5.332 7.248 -1.676 1.00 0.00 O ATOM 1333 CB TYR A 92 -4.129 10.089 -1.877 1.00 0.00 C ATOM 1334 CG TYR A 92 -3.860 11.522 -2.277 1.00 0.00 C ATOM 1335 CD1 TYR A 92 -3.067 11.820 -3.379 1.00 0.00 C ATOM 1336 CD2 TYR A 92 -4.399 12.579 -1.554 1.00 0.00 C ATOM 1337 CE1 TYR A 92 -2.818 13.128 -3.747 1.00 0.00 C ATOM 1338 CE2 TYR A 92 -4.157 13.890 -1.916 1.00 0.00 C ATOM 1339 CZ TYR A 92 -3.365 14.159 -3.013 1.00 0.00 C ATOM 1340 OH TYR A 92 -3.121 15.463 -3.377 1.00 0.00 O ATOM 0 H TYR A 92 -6.750 9.273 -1.058 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.388 9.866 -3.604 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.294 10.046 -0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -3.244 9.489 -2.088 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.638 11.015 -3.957 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -5.018 12.372 -0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.198 13.342 -4.605 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -4.585 14.700 -1.344 1.00 0.00 H new ATOM 0 HH TYR A 92 -3.889 15.813 -3.875 1.00 0.00 H new ATOM 1350 N ARG A 93 -4.835 7.465 -3.860 1.00 0.00 N ATOM 1351 CA ARG A 93 -4.646 6.035 -4.072 1.00 0.00 C ATOM 1352 C ARG A 93 -3.173 5.657 -3.949 1.00 0.00 C ATOM 1353 O ARG A 93 -2.362 5.991 -4.812 1.00 0.00 O ATOM 1354 CB ARG A 93 -5.175 5.628 -5.448 1.00 0.00 C ATOM 1355 CG ARG A 93 -6.691 5.537 -5.516 1.00 0.00 C ATOM 1356 CD ARG A 93 -7.176 5.363 -6.947 1.00 0.00 C ATOM 1357 NE ARG A 93 -8.571 4.937 -7.004 1.00 0.00 N ATOM 1358 CZ ARG A 93 -8.962 3.677 -6.849 1.00 0.00 C ATOM 1359 NH1 ARG A 93 -8.067 2.724 -6.627 1.00 0.00 N ATOM 1360 NH2 ARG A 93 -10.251 3.368 -6.914 1.00 0.00 N ATOM 0 H ARG A 93 -4.692 8.037 -4.692 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.205 5.502 -3.303 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.829 6.349 -6.189 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.749 4.662 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.034 4.698 -4.910 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.130 6.439 -5.089 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.062 6.304 -7.485 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.551 4.628 -7.455 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.285 5.646 -7.172 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.075 2.958 -6.575 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.370 1.757 -6.508 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.943 4.098 -7.083 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.550 2.400 -6.795 1.00 0.00 H new ATOM 1374 N VAL A 94 -2.835 4.959 -2.870 1.00 0.00 N ATOM 1375 CA VAL A 94 -1.460 4.535 -2.634 1.00 0.00 C ATOM 1376 C VAL A 94 -1.244 3.094 -3.083 1.00 0.00 C ATOM 1377 O VAL A 94 -2.051 2.213 -2.786 1.00 0.00 O ATOM 1378 CB VAL A 94 -1.082 4.659 -1.146 1.00 0.00 C ATOM 1379 CG1 VAL A 94 0.359 4.224 -0.923 1.00 0.00 C ATOM 1380 CG2 VAL A 94 -1.298 6.084 -0.659 1.00 0.00 C ATOM 0 H VAL A 94 -3.494 4.675 -2.145 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.821 5.195 -3.220 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.729 3.999 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.608 4.318 0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.478 3.186 -1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.025 4.856 -1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.026 6.154 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.676 6.765 -1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.347 6.355 -0.782 1.00 0.00 H new ATOM 1390 N TRP A 95 -0.151 2.861 -3.800 1.00 0.00 N ATOM 1391 CA TRP A 95 0.172 1.526 -4.290 1.00 0.00 C ATOM 1392 C TRP A 95 1.544 1.081 -3.795 1.00 0.00 C ATOM 1393 O TRP A 95 2.569 1.628 -4.202 1.00 0.00 O ATOM 1394 CB TRP A 95 0.134 1.499 -5.819 1.00 0.00 C ATOM 1395 CG TRP A 95 -1.202 1.873 -6.386 1.00 0.00 C ATOM 1396 CD1 TRP A 95 -2.262 1.040 -6.607 1.00 0.00 C ATOM 1397 CD2 TRP A 95 -1.620 3.177 -6.806 1.00 0.00 C ATOM 1398 NE1 TRP A 95 -3.313 1.748 -7.139 1.00 0.00 N ATOM 1399 CE2 TRP A 95 -2.944 3.060 -7.270 1.00 0.00 C ATOM 1400 CE3 TRP A 95 -1.004 4.431 -6.833 1.00 0.00 C ATOM 1401 CZ2 TRP A 95 -3.661 4.151 -7.756 1.00 0.00 C ATOM 1402 CZ3 TRP A 95 -1.717 5.512 -7.316 1.00 0.00 C ATOM 1403 CH2 TRP A 95 -3.034 5.367 -7.772 1.00 0.00 C ATOM 0 H TRP A 95 0.527 3.579 -4.055 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.575 0.833 -3.903 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.889 2.183 -6.206 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.401 0.500 -6.164 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.273 -0.019 -6.395 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.221 1.359 -7.395 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.010 4.553 -6.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.676 4.041 -8.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.251 6.486 -7.342 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.564 6.232 -8.143 1.00 0.00 H new ATOM 1414 N VAL A 96 1.557 0.085 -2.915 1.00 0.00 N ATOM 1415 CA VAL A 96 2.804 -0.434 -2.366 1.00 0.00 C ATOM 1416 C VAL A 96 3.062 -1.860 -2.842 1.00 0.00 C ATOM 1417 O VAL A 96 2.189 -2.723 -2.750 1.00 0.00 O ATOM 1418 CB VAL A 96 2.791 -0.413 -0.826 1.00 0.00 C ATOM 1419 CG1 VAL A 96 1.615 -1.215 -0.290 1.00 0.00 C ATOM 1420 CG2 VAL A 96 4.105 -0.945 -0.276 1.00 0.00 C ATOM 0 H VAL A 96 0.718 -0.379 -2.567 1.00 0.00 H new ATOM 0 HA VAL A 96 3.603 0.216 -2.724 1.00 0.00 H new ATOM 0 HB VAL A 96 2.676 0.619 -0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.623 -1.188 0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.683 -0.784 -0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.695 -2.248 -0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.079 -0.923 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.253 -1.970 -0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.927 -0.323 -0.632 1.00 0.00 H new ATOM 1430 N ARG A 97 4.266 -2.099 -3.349 1.00 0.00 N ATOM 1431 CA ARG A 97 4.640 -3.420 -3.840 1.00 0.00 C ATOM 1432 C ARG A 97 6.011 -3.830 -3.309 1.00 0.00 C ATOM 1433 O ARG A 97 6.781 -2.993 -2.840 1.00 0.00 O ATOM 1434 CB ARG A 97 4.648 -3.436 -5.369 1.00 0.00 C ATOM 1435 CG ARG A 97 5.549 -2.378 -5.985 1.00 0.00 C ATOM 1436 CD ARG A 97 5.033 -1.929 -7.343 1.00 0.00 C ATOM 1437 NE ARG A 97 3.970 -0.934 -7.224 1.00 0.00 N ATOM 1438 CZ ARG A 97 3.441 -0.296 -8.261 1.00 0.00 C ATOM 1439 NH1 ARG A 97 3.873 -0.547 -9.489 1.00 0.00 N ATOM 1440 NH2 ARG A 97 2.476 0.596 -8.072 1.00 0.00 N ATOM 0 H ARG A 97 5.000 -1.395 -3.431 1.00 0.00 H new ATOM 0 HA ARG A 97 3.901 -4.136 -3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 97 4.970 -4.419 -5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.630 -3.290 -5.731 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.613 -1.519 -5.317 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.558 -2.775 -6.091 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.856 -1.512 -7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.660 -2.793 -7.893 1.00 0.00 H new ATOM 0 HE ARG A 97 3.615 -0.718 -6.293 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.614 -1.232 -9.639 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.465 -0.055 -10.284 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.140 0.792 -7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 97 2.071 1.085 -8.870 1.00 0.00 H new ATOM 1454 N ALA A 98 6.307 -5.123 -3.386 1.00 0.00 N ATOM 1455 CA ALA A 98 7.584 -5.643 -2.915 1.00 0.00 C ATOM 1456 C ALA A 98 8.512 -5.961 -4.083 1.00 0.00 C ATOM 1457 O ALA A 98 8.077 -6.486 -5.109 1.00 0.00 O ATOM 1458 CB ALA A 98 7.367 -6.882 -2.059 1.00 0.00 C ATOM 0 H ALA A 98 5.680 -5.830 -3.770 1.00 0.00 H new ATOM 0 HA ALA A 98 8.059 -4.873 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.330 -7.259 -1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.748 -6.626 -1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.867 -7.649 -2.650 1.00 0.00 H new ATOM 1464 N HIS A 99 9.792 -5.640 -3.921 1.00 0.00 N ATOM 1465 CA HIS A 99 10.781 -5.891 -4.963 1.00 0.00 C ATOM 1466 C HIS A 99 11.737 -7.005 -4.547 1.00 0.00 C ATOM 1467 O HIS A 99 12.193 -7.052 -3.404 1.00 0.00 O ATOM 1468 CB HIS A 99 11.566 -4.616 -5.268 1.00 0.00 C ATOM 1469 CG HIS A 99 10.863 -3.690 -6.212 1.00 0.00 C ATOM 1470 ND1 HIS A 99 9.506 -3.446 -6.156 1.00 0.00 N ATOM 1471 CD2 HIS A 99 11.335 -2.946 -7.239 1.00 0.00 C ATOM 1472 CE1 HIS A 99 9.175 -2.593 -7.109 1.00 0.00 C ATOM 1473 NE2 HIS A 99 10.267 -2.274 -7.780 1.00 0.00 N ATOM 0 H HIS A 99 10.168 -5.206 -3.078 1.00 0.00 H new ATOM 0 HA HIS A 99 10.253 -6.207 -5.863 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.763 -4.089 -4.335 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.533 -4.887 -5.691 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.361 -2.891 -7.571 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.181 -2.220 -7.306 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.310 -1.632 -8.572 1.00 0.00 H new ATOM 1482 N THR A 100 12.037 -7.901 -5.481 1.00 0.00 N ATOM 1483 CA THR A 100 12.937 -9.015 -5.211 1.00 0.00 C ATOM 1484 C THR A 100 14.167 -8.959 -6.110 1.00 0.00 C ATOM 1485 O THR A 100 14.148 -8.325 -7.166 1.00 0.00 O ATOM 1486 CB THR A 100 12.231 -10.369 -5.411 1.00 0.00 C ATOM 1487 OG1 THR A 100 11.218 -10.250 -6.417 1.00 0.00 O ATOM 1488 CG2 THR A 100 11.607 -10.851 -4.110 1.00 0.00 C ATOM 0 H THR A 100 11.670 -7.877 -6.432 1.00 0.00 H new ATOM 0 HA THR A 100 13.247 -8.925 -4.170 1.00 0.00 H new ATOM 0 HB THR A 100 12.975 -11.098 -5.731 1.00 0.00 H new ATOM 0 HG1 THR A 100 11.527 -9.644 -7.122 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.114 -11.809 -4.276 1.00 0.00 H new ATOM 0 HG22 THR A 100 12.385 -10.969 -3.355 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.875 -10.121 -3.765 1.00 0.00 H new ATOM 1496 N ASP A 101 15.235 -9.625 -5.686 1.00 0.00 N ATOM 1497 CA ASP A 101 16.474 -9.652 -6.455 1.00 0.00 C ATOM 1498 C ASP A 101 16.222 -10.144 -7.877 1.00 0.00 C ATOM 1499 O ASP A 101 16.962 -9.810 -8.801 1.00 0.00 O ATOM 1500 CB ASP A 101 17.506 -10.549 -5.768 1.00 0.00 C ATOM 1501 CG ASP A 101 18.687 -10.865 -6.664 1.00 0.00 C ATOM 1502 OD1 ASP A 101 18.498 -11.602 -7.654 1.00 0.00 O ATOM 1503 OD2 ASP A 101 19.799 -10.376 -6.376 1.00 0.00 O ATOM 0 H ASP A 101 15.268 -10.153 -4.814 1.00 0.00 H new ATOM 0 HA ASP A 101 16.863 -8.635 -6.505 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.862 -10.060 -4.862 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.028 -11.479 -5.461 1.00 0.00 H new ATOM 1508 N VAL A 102 15.171 -10.941 -8.044 1.00 0.00 N ATOM 1509 CA VAL A 102 14.820 -11.479 -9.353 1.00 0.00 C ATOM 1510 C VAL A 102 14.150 -10.420 -10.221 1.00 0.00 C ATOM 1511 O VAL A 102 14.213 -10.478 -11.448 1.00 0.00 O ATOM 1512 CB VAL A 102 13.880 -12.693 -9.227 1.00 0.00 C ATOM 1513 CG1 VAL A 102 14.526 -13.783 -8.386 1.00 0.00 C ATOM 1514 CG2 VAL A 102 12.544 -12.272 -8.634 1.00 0.00 C ATOM 0 H VAL A 102 14.548 -11.228 -7.289 1.00 0.00 H new ATOM 0 HA VAL A 102 15.750 -11.796 -9.825 1.00 0.00 H new ATOM 0 HB VAL A 102 13.699 -13.096 -10.223 1.00 0.00 H new ATOM 0 HG11 VAL A 102 13.848 -14.633 -8.308 1.00 0.00 H new ATOM 0 HG12 VAL A 102 15.455 -14.103 -8.857 1.00 0.00 H new ATOM 0 HG13 VAL A 102 14.739 -13.396 -7.390 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.892 -13.142 -8.552 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.704 -11.844 -7.644 1.00 0.00 H new ATOM 0 HG23 VAL A 102 12.077 -11.528 -9.280 1.00 0.00 H new ATOM 1524 N GLY A 103 13.509 -9.451 -9.574 1.00 0.00 N ATOM 1525 CA GLY A 103 12.837 -8.391 -10.303 1.00 0.00 C ATOM 1526 C GLY A 103 11.629 -7.854 -9.562 1.00 0.00 C ATOM 1527 O GLY A 103 11.204 -8.401 -8.545 1.00 0.00 O ATOM 0 H GLY A 103 13.443 -9.381 -8.559 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.539 -7.577 -10.485 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.525 -8.766 -11.278 1.00 0.00 H new ATOM 1531 N PRO A 104 11.056 -6.755 -10.075 1.00 0.00 N ATOM 1532 CA PRO A 104 9.882 -6.119 -9.471 1.00 0.00 C ATOM 1533 C PRO A 104 8.622 -6.965 -9.621 1.00 0.00 C ATOM 1534 O PRO A 104 8.626 -7.984 -10.310 1.00 0.00 O ATOM 1535 CB PRO A 104 9.744 -4.811 -10.254 1.00 0.00 C ATOM 1536 CG PRO A 104 10.389 -5.087 -11.568 1.00 0.00 C ATOM 1537 CD PRO A 104 11.509 -6.049 -11.286 1.00 0.00 C ATOM 0 HA PRO A 104 10.003 -5.978 -8.397 1.00 0.00 H new ATOM 0 HB2 PRO A 104 8.698 -4.532 -10.377 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.235 -3.986 -9.737 1.00 0.00 H new ATOM 0 HG2 PRO A 104 9.675 -5.515 -12.271 1.00 0.00 H new ATOM 0 HG3 PRO A 104 10.767 -4.169 -12.018 1.00 0.00 H new ATOM 0 HD2 PRO A 104 11.667 -6.737 -12.117 1.00 0.00 H new ATOM 0 HD3 PRO A 104 12.453 -5.529 -11.119 1.00 0.00 H new ATOM 1545 N GLY A 105 7.545 -6.535 -8.971 1.00 0.00 N ATOM 1546 CA GLY A 105 6.293 -7.265 -9.046 1.00 0.00 C ATOM 1547 C GLY A 105 5.096 -6.349 -9.210 1.00 0.00 C ATOM 1548 O GLY A 105 5.229 -5.128 -9.291 1.00 0.00 O ATOM 0 H GLY A 105 7.517 -5.694 -8.394 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.331 -7.961 -9.884 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.169 -7.861 -8.142 1.00 0.00 H new ATOM 1552 N PRO A 106 3.894 -6.943 -9.263 1.00 0.00 N ATOM 1553 CA PRO A 106 2.646 -6.190 -9.420 1.00 0.00 C ATOM 1554 C PRO A 106 2.299 -5.377 -8.178 1.00 0.00 C ATOM 1555 O PRO A 106 2.832 -5.622 -7.097 1.00 0.00 O ATOM 1556 CB PRO A 106 1.600 -7.283 -9.654 1.00 0.00 C ATOM 1557 CG PRO A 106 2.171 -8.498 -9.007 1.00 0.00 C ATOM 1558 CD PRO A 106 3.662 -8.394 -9.173 1.00 0.00 C ATOM 0 HA PRO A 106 2.709 -5.461 -10.228 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.640 -7.014 -9.213 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.428 -7.445 -10.718 1.00 0.00 H new ATOM 0 HG2 PRO A 106 1.898 -8.543 -7.953 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.789 -9.405 -9.475 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.192 -8.834 -8.328 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.004 -8.912 -10.069 1.00 0.00 H new ATOM 1566 N GLU A 107 1.402 -4.410 -8.341 1.00 0.00 N ATOM 1567 CA GLU A 107 0.984 -3.561 -7.232 1.00 0.00 C ATOM 1568 C GLU A 107 -0.045 -4.273 -6.359 1.00 0.00 C ATOM 1569 O GLU A 107 -0.487 -5.377 -6.677 1.00 0.00 O ATOM 1570 CB GLU A 107 0.402 -2.247 -7.757 1.00 0.00 C ATOM 1571 CG GLU A 107 -1.095 -2.303 -8.011 1.00 0.00 C ATOM 1572 CD GLU A 107 -1.534 -1.371 -9.124 1.00 0.00 C ATOM 1573 OE1 GLU A 107 -0.896 -1.387 -10.197 1.00 0.00 O ATOM 1574 OE2 GLU A 107 -2.515 -0.626 -8.920 1.00 0.00 O ATOM 0 H GLU A 107 0.951 -4.195 -9.230 1.00 0.00 H new ATOM 0 HA GLU A 107 1.862 -3.344 -6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.611 -1.454 -7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.910 -1.979 -8.684 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.379 -3.324 -8.265 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.625 -2.043 -7.095 1.00 0.00 H new ATOM 1581 N SER A 108 -0.422 -3.633 -5.256 1.00 0.00 N ATOM 1582 CA SER A 108 -1.395 -4.207 -4.334 1.00 0.00 C ATOM 1583 C SER A 108 -2.706 -3.428 -4.375 1.00 0.00 C ATOM 1584 O SER A 108 -2.811 -2.401 -5.046 1.00 0.00 O ATOM 1585 CB SER A 108 -0.837 -4.214 -2.910 1.00 0.00 C ATOM 1586 OG SER A 108 -0.590 -2.896 -2.452 1.00 0.00 O ATOM 0 H SER A 108 -0.068 -2.717 -4.980 1.00 0.00 H new ATOM 0 HA SER A 108 -1.592 -5.233 -4.644 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.543 -4.708 -2.242 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.087 -4.791 -2.881 1.00 0.00 H new ATOM 0 HG SER A 108 0.370 -2.706 -2.505 1.00 0.00 H new ATOM 1592 N SER A 109 -3.705 -3.925 -3.653 1.00 0.00 N ATOM 1593 CA SER A 109 -5.012 -3.279 -3.608 1.00 0.00 C ATOM 1594 C SER A 109 -4.898 -1.859 -3.060 1.00 0.00 C ATOM 1595 O SER A 109 -4.476 -1.637 -1.925 1.00 0.00 O ATOM 1596 CB SER A 109 -5.978 -4.094 -2.747 1.00 0.00 C ATOM 1597 OG SER A 109 -7.324 -3.848 -3.119 1.00 0.00 O ATOM 0 H SER A 109 -3.635 -4.773 -3.091 1.00 0.00 H new ATOM 0 HA SER A 109 -5.399 -3.227 -4.626 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.757 -5.156 -2.852 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.836 -3.841 -1.696 1.00 0.00 H new ATOM 0 HG SER A 109 -7.922 -4.382 -2.555 1.00 0.00 H new ATOM 1603 N PRO A 110 -5.282 -0.875 -3.886 1.00 0.00 N ATOM 1604 CA PRO A 110 -5.234 0.541 -3.507 1.00 0.00 C ATOM 1605 C PRO A 110 -6.270 0.892 -2.445 1.00 0.00 C ATOM 1606 O PRO A 110 -7.462 0.634 -2.617 1.00 0.00 O ATOM 1607 CB PRO A 110 -5.541 1.270 -4.817 1.00 0.00 C ATOM 1608 CG PRO A 110 -6.327 0.291 -5.620 1.00 0.00 C ATOM 1609 CD PRO A 110 -5.795 -1.067 -5.253 1.00 0.00 C ATOM 0 HA PRO A 110 -4.274 0.813 -3.068 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.110 2.183 -4.638 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.626 1.560 -5.332 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.391 0.367 -5.396 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.212 0.480 -6.687 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.576 -1.827 -5.286 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.009 -1.388 -5.936 1.00 0.00 H new ATOM 1617 N VAL A 111 -5.810 1.484 -1.348 1.00 0.00 N ATOM 1618 CA VAL A 111 -6.698 1.873 -0.259 1.00 0.00 C ATOM 1619 C VAL A 111 -7.047 3.355 -0.338 1.00 0.00 C ATOM 1620 O VAL A 111 -6.166 4.215 -0.310 1.00 0.00 O ATOM 1621 CB VAL A 111 -6.064 1.579 1.114 1.00 0.00 C ATOM 1622 CG1 VAL A 111 -6.848 2.266 2.222 1.00 0.00 C ATOM 1623 CG2 VAL A 111 -5.988 0.079 1.355 1.00 0.00 C ATOM 0 H VAL A 111 -4.827 1.705 -1.190 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.608 1.282 -0.365 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.049 1.977 1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.386 2.047 3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -6.846 3.343 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.875 1.901 2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.538 -0.111 2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.992 -0.345 1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.380 -0.384 0.578 1.00 0.00 H new ATOM 1633 N LEU A 112 -8.340 3.647 -0.436 1.00 0.00 N ATOM 1634 CA LEU A 112 -8.808 5.027 -0.518 1.00 0.00 C ATOM 1635 C LEU A 112 -8.836 5.675 0.862 1.00 0.00 C ATOM 1636 O LEU A 112 -9.556 5.229 1.755 1.00 0.00 O ATOM 1637 CB LEU A 112 -10.202 5.076 -1.146 1.00 0.00 C ATOM 1638 CG LEU A 112 -10.386 4.276 -2.436 1.00 0.00 C ATOM 1639 CD1 LEU A 112 -11.826 4.362 -2.916 1.00 0.00 C ATOM 1640 CD2 LEU A 112 -9.432 4.773 -3.512 1.00 0.00 C ATOM 0 H LEU A 112 -9.082 2.948 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.113 5.584 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.922 4.714 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.450 6.118 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.156 3.231 -2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.938 3.787 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.489 3.957 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.085 5.404 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.577 4.192 -4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.631 5.825 -3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.404 4.658 -3.168 1.00 0.00 H new ATOM 1652 N VAL A 113 -8.049 6.734 1.029 1.00 0.00 N ATOM 1653 CA VAL A 113 -7.986 7.447 2.299 1.00 0.00 C ATOM 1654 C VAL A 113 -8.230 8.939 2.104 1.00 0.00 C ATOM 1655 O VAL A 113 -7.689 9.552 1.184 1.00 0.00 O ATOM 1656 CB VAL A 113 -6.623 7.247 2.988 1.00 0.00 C ATOM 1657 CG1 VAL A 113 -6.468 5.809 3.459 1.00 0.00 C ATOM 1658 CG2 VAL A 113 -5.490 7.633 2.049 1.00 0.00 C ATOM 0 H VAL A 113 -7.446 7.117 0.300 1.00 0.00 H new ATOM 0 HA VAL A 113 -8.770 7.033 2.933 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.579 7.897 3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.499 5.687 3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.261 5.571 4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.533 5.137 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.534 7.486 2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.530 7.010 1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.593 8.681 1.766 1.00 0.00 H new ATOM 1668 N ARG A 114 -9.048 9.518 2.977 1.00 0.00 N ATOM 1669 CA ARG A 114 -9.365 10.939 2.901 1.00 0.00 C ATOM 1670 C ARG A 114 -8.547 11.733 3.915 1.00 0.00 C ATOM 1671 O ARG A 114 -8.750 11.614 5.124 1.00 0.00 O ATOM 1672 CB ARG A 114 -10.858 11.164 3.146 1.00 0.00 C ATOM 1673 CG ARG A 114 -11.265 12.628 3.123 1.00 0.00 C ATOM 1674 CD ARG A 114 -12.681 12.821 3.643 1.00 0.00 C ATOM 1675 NE ARG A 114 -13.685 12.504 2.630 1.00 0.00 N ATOM 1676 CZ ARG A 114 -14.969 12.824 2.742 1.00 0.00 C ATOM 1677 NH1 ARG A 114 -15.403 13.468 3.817 1.00 0.00 N ATOM 1678 NH2 ARG A 114 -15.821 12.501 1.778 1.00 0.00 N ATOM 0 H ARG A 114 -9.503 9.025 3.745 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.111 11.289 1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.427 10.625 2.388 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -11.128 10.736 4.111 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.571 13.209 3.730 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -11.195 13.010 2.105 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.836 12.188 4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.809 13.853 3.970 1.00 0.00 H new ATOM 0 HE ARG A 114 -13.383 12.010 1.790 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -14.750 13.718 4.560 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -16.390 13.713 3.901 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -15.490 12.006 0.950 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -16.807 12.747 1.865 1.00 0.00 H new ATOM 1692 N THR A 115 -7.621 12.545 3.414 1.00 0.00 N ATOM 1693 CA THR A 115 -6.771 13.358 4.275 1.00 0.00 C ATOM 1694 C THR A 115 -7.581 14.435 4.989 1.00 0.00 C ATOM 1695 O THR A 115 -8.405 15.114 4.376 1.00 0.00 O ATOM 1696 CB THR A 115 -5.639 14.029 3.475 1.00 0.00 C ATOM 1697 OG1 THR A 115 -6.156 14.571 2.254 1.00 0.00 O ATOM 1698 CG2 THR A 115 -4.531 13.034 3.165 1.00 0.00 C ATOM 0 H THR A 115 -7.441 12.657 2.416 1.00 0.00 H new ATOM 0 HA THR A 115 -6.335 12.686 5.014 1.00 0.00 H new ATOM 0 HB THR A 115 -5.223 14.833 4.082 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.503 15.193 1.870 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.743 13.531 2.599 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.119 12.646 4.097 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.936 12.211 2.576 1.00 0.00 H new ATOM 1706 N ASP A 116 -7.341 14.586 6.287 1.00 0.00 N ATOM 1707 CA ASP A 116 -8.047 15.582 7.084 1.00 0.00 C ATOM 1708 C ASP A 116 -8.249 16.869 6.291 1.00 0.00 C ATOM 1709 O ASP A 116 -7.488 17.167 5.371 1.00 0.00 O ATOM 1710 CB ASP A 116 -7.276 15.876 8.371 1.00 0.00 C ATOM 1711 CG ASP A 116 -7.371 14.744 9.376 1.00 0.00 C ATOM 1712 OD1 ASP A 116 -8.478 14.514 9.906 1.00 0.00 O ATOM 1713 OD2 ASP A 116 -6.339 14.089 9.630 1.00 0.00 O ATOM 0 H ASP A 116 -6.663 14.031 6.809 1.00 0.00 H new ATOM 0 HA ASP A 116 -9.026 15.178 7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.228 16.057 8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.662 16.791 8.821 1.00 0.00 H new ATOM 1718 N GLU A 117 -9.279 17.627 6.654 1.00 0.00 N ATOM 1719 CA GLU A 117 -9.580 18.882 5.975 1.00 0.00 C ATOM 1720 C GLU A 117 -8.807 20.039 6.601 1.00 0.00 C ATOM 1721 O GLU A 117 -8.577 20.064 7.810 1.00 0.00 O ATOM 1722 CB GLU A 117 -11.082 19.169 6.030 1.00 0.00 C ATOM 1723 CG GLU A 117 -11.562 19.644 7.391 1.00 0.00 C ATOM 1724 CD GLU A 117 -11.875 18.497 8.332 1.00 0.00 C ATOM 1725 OE1 GLU A 117 -12.617 17.580 7.924 1.00 0.00 O ATOM 1726 OE2 GLU A 117 -11.377 18.518 9.477 1.00 0.00 O ATOM 0 H GLU A 117 -9.919 17.394 7.414 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.273 18.785 4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.326 19.925 5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.626 18.265 5.758 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.799 20.279 7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.453 20.258 7.264 1.00 0.00 H new