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 119:sc= 0.00622 USER MOD Set 1.2: A 69 HIS : no HD1:sc= 0.00699 X(o=0.013,f=-0.015) USER MOD Set 2.1: A 23 GLN : amide:sc= 0.0944 K(o=0.27,f=-2!) USER MOD Set 2.2: A 24 LYS NZ :NH3+ -150:sc= 0.171 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 147:sc= -4! USER MOD Single : A 29 SER OG : rot 2:sc= 1.13 USER MOD Single : A 30 MET CE :methyl -125:sc= -10.2! (180deg=-16.2!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0028 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.05 X(o=-1,f=-0.81) USER MOD Single : A 52 THR OG1 : rot -21:sc= 0.0779 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0407 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= -0.149 X(o=-0.15,f=-0.082) 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 73:sc= 0.441 USER MOD Single : A 92 TYR OH : rot 80:sc= -0.3 USER MOD Single : A 99 HIS : no HD1:sc= -2.63 K(o=-2.6,f=-1.1) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.724 USER MOD Single : A 108 SER OG : rot -118:sc= -0.785! USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 177:sc= 1.9 USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 18 6.671 -12.542 -5.884 1.00 0.00 N ATOM 215 CA PRO A 18 5.521 -12.828 -5.022 1.00 0.00 C ATOM 216 C PRO A 18 4.199 -12.423 -5.665 1.00 0.00 C ATOM 217 O PRO A 18 4.180 -11.773 -6.710 1.00 0.00 O ATOM 218 CB PRO A 18 5.791 -11.980 -3.776 1.00 0.00 C ATOM 219 CG PRO A 18 6.655 -10.866 -4.257 1.00 0.00 C ATOM 220 CD PRO A 18 7.499 -11.443 -5.360 1.00 0.00 C ATOM 0 HA PRO A 18 5.422 -13.894 -4.816 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.863 -11.604 -3.344 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.290 -12.562 -3.001 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.052 -10.034 -4.621 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.278 -10.479 -3.451 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.717 -10.702 -6.129 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.457 -11.805 -4.986 1.00 0.00 H new ATOM 228 N SER A 19 3.095 -12.811 -5.034 1.00 0.00 N ATOM 229 CA SER A 19 1.768 -12.491 -5.547 1.00 0.00 C ATOM 230 C SER A 19 0.980 -11.663 -4.537 1.00 0.00 C ATOM 231 O SER A 19 0.721 -10.480 -4.755 1.00 0.00 O ATOM 232 CB SER A 19 1.004 -13.774 -5.880 1.00 0.00 C ATOM 233 OG SER A 19 -0.281 -13.481 -6.400 1.00 0.00 O ATOM 0 H SER A 19 3.093 -13.348 -4.167 1.00 0.00 H new ATOM 0 HA SER A 19 1.889 -11.903 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.569 -14.359 -6.606 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.906 -14.386 -4.983 1.00 0.00 H new ATOM 0 HG SER A 19 -0.749 -14.317 -6.607 1.00 0.00 H new ATOM 239 N ALA A 20 0.601 -12.295 -3.431 1.00 0.00 N ATOM 240 CA ALA A 20 -0.156 -11.618 -2.385 1.00 0.00 C ATOM 241 C ALA A 20 0.656 -10.486 -1.765 1.00 0.00 C ATOM 242 O ALA A 20 0.266 -9.319 -1.799 1.00 0.00 O ATOM 243 CB ALA A 20 -0.582 -12.612 -1.315 1.00 0.00 C ATOM 0 H ALA A 20 0.806 -13.275 -3.236 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.047 -11.184 -2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.146 -12.093 -0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.207 -13.384 -1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.302 -13.072 -0.873 1.00 0.00 H new ATOM 249 N PRO A 21 1.814 -10.837 -1.184 1.00 0.00 N ATOM 250 CA PRO A 21 2.705 -9.864 -0.545 1.00 0.00 C ATOM 251 C PRO A 21 3.378 -8.943 -1.556 1.00 0.00 C ATOM 252 O PRO A 21 3.939 -9.386 -2.559 1.00 0.00 O ATOM 253 CB PRO A 21 3.745 -10.742 0.155 1.00 0.00 C ATOM 254 CG PRO A 21 3.751 -12.014 -0.622 1.00 0.00 C ATOM 255 CD PRO A 21 2.341 -12.209 -1.107 1.00 0.00 C ATOM 0 HA PRO A 21 2.166 -9.199 0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.728 -10.271 0.151 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.479 -10.916 1.198 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.447 -11.957 -1.459 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.069 -12.850 0.001 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.315 -12.705 -2.077 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.761 -12.824 -0.419 1.00 0.00 H new ATOM 263 N PRO A 22 3.324 -7.629 -1.289 1.00 0.00 N ATOM 264 CA PRO A 22 2.659 -7.090 -0.099 1.00 0.00 C ATOM 265 C PRO A 22 1.143 -7.239 -0.165 1.00 0.00 C ATOM 266 O PRO A 22 0.508 -6.797 -1.122 1.00 0.00 O ATOM 267 CB PRO A 22 3.052 -5.611 -0.113 1.00 0.00 C ATOM 268 CG PRO A 22 3.336 -5.308 -1.544 1.00 0.00 C ATOM 269 CD PRO A 22 3.907 -6.570 -2.129 1.00 0.00 C ATOM 0 HA PRO A 22 2.957 -7.616 0.808 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.248 -4.984 0.272 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.926 -5.428 0.512 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.427 -5.011 -2.068 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.041 -4.482 -1.635 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.629 -6.689 -3.176 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.996 -6.576 -2.085 1.00 0.00 H new ATOM 277 N GLN A 23 0.569 -7.863 0.859 1.00 0.00 N ATOM 278 CA GLN A 23 -0.873 -8.070 0.916 1.00 0.00 C ATOM 279 C GLN A 23 -1.487 -7.303 2.083 1.00 0.00 C ATOM 280 O GLN A 23 -0.791 -6.591 2.807 1.00 0.00 O ATOM 281 CB GLN A 23 -1.191 -9.560 1.046 1.00 0.00 C ATOM 282 CG GLN A 23 -0.118 -10.349 1.779 1.00 0.00 C ATOM 283 CD GLN A 23 -0.642 -11.651 2.354 1.00 0.00 C ATOM 284 OE1 GLN A 23 -1.845 -11.911 2.337 1.00 0.00 O ATOM 285 NE2 GLN A 23 0.262 -12.478 2.867 1.00 0.00 N ATOM 0 H GLN A 23 1.080 -8.234 1.660 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.306 -7.693 -0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.139 -9.676 1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.325 -9.983 0.050 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.702 -10.563 1.094 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.290 -9.739 2.584 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.249 -12.222 2.860 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.031 -13.369 3.268 1.00 0.00 H new ATOM 294 N LYS A 24 -2.795 -7.452 2.259 1.00 0.00 N ATOM 295 CA LYS A 24 -3.504 -6.775 3.338 1.00 0.00 C ATOM 296 C LYS A 24 -2.933 -5.380 3.574 1.00 0.00 C ATOM 297 O LYS A 24 -2.732 -4.965 4.715 1.00 0.00 O ATOM 298 CB LYS A 24 -3.419 -7.596 4.627 1.00 0.00 C ATOM 299 CG LYS A 24 -3.937 -9.017 4.478 1.00 0.00 C ATOM 300 CD LYS A 24 -3.885 -9.770 5.796 1.00 0.00 C ATOM 301 CE LYS A 24 -2.583 -10.543 5.945 1.00 0.00 C ATOM 302 NZ LYS A 24 -2.702 -11.935 5.429 1.00 0.00 N ATOM 0 H LYS A 24 -3.386 -8.036 1.668 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.549 -6.676 3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.381 -7.629 4.959 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.987 -7.091 5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.963 -8.995 4.111 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.343 -9.545 3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.989 -9.067 6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.727 -10.459 5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.789 -10.024 5.409 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.294 -10.569 6.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.061 -12.558 5.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.681 -12.266 5.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.447 -11.955 4.421 1.00 0.00 H new ATOM 316 N VAL A 25 -2.675 -4.660 2.487 1.00 0.00 N ATOM 317 CA VAL A 25 -2.130 -3.311 2.575 1.00 0.00 C ATOM 318 C VAL A 25 -3.168 -2.332 3.111 1.00 0.00 C ATOM 319 O VAL A 25 -4.147 -2.018 2.434 1.00 0.00 O ATOM 320 CB VAL A 25 -1.633 -2.815 1.204 1.00 0.00 C ATOM 321 CG1 VAL A 25 -0.948 -1.464 1.340 1.00 0.00 C ATOM 322 CG2 VAL A 25 -0.696 -3.836 0.577 1.00 0.00 C ATOM 0 H VAL A 25 -2.835 -4.989 1.535 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.287 -3.356 3.264 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.494 -2.693 0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.604 -1.130 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.653 -0.738 1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.095 -1.555 2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.354 -3.470 -0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.163 -3.991 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.224 -4.780 0.442 1.00 0.00 H new ATOM 332 N MET A 26 -2.948 -1.852 4.330 1.00 0.00 N ATOM 333 CA MET A 26 -3.865 -0.907 4.957 1.00 0.00 C ATOM 334 C MET A 26 -3.195 0.449 5.156 1.00 0.00 C ATOM 335 O MET A 26 -2.115 0.539 5.741 1.00 0.00 O ATOM 336 CB MET A 26 -4.351 -1.451 6.302 1.00 0.00 C ATOM 337 CG MET A 26 -5.312 -2.621 6.172 1.00 0.00 C ATOM 338 SD MET A 26 -7.035 -2.098 6.069 1.00 0.00 S ATOM 339 CE MET A 26 -7.421 -2.536 4.376 1.00 0.00 C ATOM 0 H MET A 26 -2.143 -2.102 4.904 1.00 0.00 H new ATOM 0 HA MET A 26 -4.721 -0.776 4.295 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.489 -1.763 6.891 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.841 -0.649 6.854 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.058 -3.198 5.283 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.188 -3.284 7.028 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.456 -2.273 4.159 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.760 -1.994 3.700 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.282 -3.608 4.237 1.00 0.00 H new ATOM 349 N CYS A 27 -3.842 1.501 4.665 1.00 0.00 N ATOM 350 CA CYS A 27 -3.308 2.852 4.789 1.00 0.00 C ATOM 351 C CYS A 27 -4.119 3.668 5.791 1.00 0.00 C ATOM 352 O CYS A 27 -5.300 3.402 6.012 1.00 0.00 O ATOM 353 CB CYS A 27 -3.307 3.549 3.427 1.00 0.00 C ATOM 354 SG CYS A 27 -2.399 2.658 2.142 1.00 0.00 S ATOM 0 H CYS A 27 -4.736 1.444 4.178 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.283 2.779 5.153 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.338 3.686 3.100 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.874 4.543 3.540 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.970 2.855 0.991 1.00 0.00 H new ATOM 360 N VAL A 28 -3.475 4.662 6.395 1.00 0.00 N ATOM 361 CA VAL A 28 -4.136 5.517 7.374 1.00 0.00 C ATOM 362 C VAL A 28 -3.746 6.978 7.181 1.00 0.00 C ATOM 363 O VAL A 28 -2.593 7.288 6.881 1.00 0.00 O ATOM 364 CB VAL A 28 -3.792 5.091 8.814 1.00 0.00 C ATOM 365 CG1 VAL A 28 -3.984 3.592 8.987 1.00 0.00 C ATOM 366 CG2 VAL A 28 -2.369 5.499 9.164 1.00 0.00 C ATOM 0 H VAL A 28 -2.497 4.895 6.224 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.209 5.407 7.217 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.470 5.601 9.498 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.736 3.309 10.010 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.022 3.332 8.780 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.331 3.059 8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.143 5.190 10.185 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.673 5.018 8.477 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.270 6.581 9.082 1.00 0.00 H new ATOM 376 N SER A 29 -4.714 7.871 7.356 1.00 0.00 N ATOM 377 CA SER A 29 -4.472 9.301 7.197 1.00 0.00 C ATOM 378 C SER A 29 -4.075 9.935 8.527 1.00 0.00 C ATOM 379 O SER A 29 -4.925 10.211 9.374 1.00 0.00 O ATOM 380 CB SER A 29 -5.719 9.992 6.642 1.00 0.00 C ATOM 381 OG SER A 29 -6.708 10.143 7.645 1.00 0.00 O ATOM 0 H SER A 29 -5.673 7.631 7.608 1.00 0.00 H new ATOM 0 HA SER A 29 -3.650 9.430 6.493 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.449 10.970 6.243 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.123 9.410 5.814 1.00 0.00 H new ATOM 0 HG SER A 29 -6.366 9.797 8.496 1.00 0.00 H new ATOM 387 N MET A 30 -2.778 10.164 8.702 1.00 0.00 N ATOM 388 CA MET A 30 -2.267 10.767 9.928 1.00 0.00 C ATOM 389 C MET A 30 -2.814 12.179 10.107 1.00 0.00 C ATOM 390 O MET A 30 -3.366 12.513 11.155 1.00 0.00 O ATOM 391 CB MET A 30 -0.738 10.798 9.907 1.00 0.00 C ATOM 392 CG MET A 30 -0.099 9.437 10.132 1.00 0.00 C ATOM 393 SD MET A 30 1.702 9.514 10.177 1.00 0.00 S ATOM 394 CE MET A 30 2.119 8.519 8.748 1.00 0.00 C ATOM 0 H MET A 30 -2.062 9.941 8.011 1.00 0.00 H new ATOM 0 HA MET A 30 -2.599 10.159 10.769 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.404 11.193 8.947 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.386 11.487 10.675 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.464 9.019 11.070 1.00 0.00 H new ATOM 0 HG3 MET A 30 -0.410 8.758 9.338 1.00 0.00 H new ATOM 0 HE1 MET A 30 2.794 7.717 9.047 1.00 0.00 H new ATOM 0 HE2 MET A 30 1.210 8.090 8.326 1.00 0.00 H new ATOM 0 HE3 MET A 30 2.607 9.144 8.000 1.00 0.00 H new ATOM 404 N GLY A 31 -2.657 13.006 9.078 1.00 0.00 N ATOM 405 CA GLY A 31 -3.140 14.373 9.143 1.00 0.00 C ATOM 406 C GLY A 31 -3.866 14.792 7.881 1.00 0.00 C ATOM 407 O GLY A 31 -4.952 14.293 7.587 1.00 0.00 O ATOM 0 H GLY A 31 -2.204 12.753 8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.811 14.478 9.996 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.299 15.045 9.314 1.00 0.00 H new ATOM 411 N SER A 32 -3.266 15.712 7.132 1.00 0.00 N ATOM 412 CA SER A 32 -3.866 16.203 5.897 1.00 0.00 C ATOM 413 C SER A 32 -2.898 16.053 4.727 1.00 0.00 C ATOM 414 O SER A 32 -3.312 15.964 3.570 1.00 0.00 O ATOM 415 CB SER A 32 -4.275 17.669 6.051 1.00 0.00 C ATOM 416 OG SER A 32 -3.142 18.496 6.255 1.00 0.00 O ATOM 0 H SER A 32 -2.365 16.132 7.359 1.00 0.00 H new ATOM 0 HA SER A 32 -4.754 15.606 5.691 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.812 17.996 5.160 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.961 17.772 6.892 1.00 0.00 H new ATOM 0 HG SER A 32 -3.430 19.428 6.349 1.00 0.00 H new ATOM 422 N THR A 33 -1.605 16.027 5.036 1.00 0.00 N ATOM 423 CA THR A 33 -0.578 15.889 4.011 1.00 0.00 C ATOM 424 C THR A 33 0.320 14.689 4.291 1.00 0.00 C ATOM 425 O THR A 33 1.290 14.445 3.572 1.00 0.00 O ATOM 426 CB THR A 33 0.293 17.156 3.916 1.00 0.00 C ATOM 427 OG1 THR A 33 1.063 17.312 5.113 1.00 0.00 O ATOM 428 CG2 THR A 33 -0.569 18.390 3.697 1.00 0.00 C ATOM 0 H THR A 33 -1.245 16.100 5.987 1.00 0.00 H new ATOM 0 HA THR A 33 -1.095 15.739 3.063 1.00 0.00 H new ATOM 0 HB THR A 33 0.964 17.046 3.064 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.615 18.119 5.044 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.068 19.272 3.633 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.132 18.281 2.770 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.262 18.502 4.531 1.00 0.00 H new ATOM 436 N THR A 34 -0.009 13.941 5.339 1.00 0.00 N ATOM 437 CA THR A 34 0.767 12.766 5.714 1.00 0.00 C ATOM 438 C THR A 34 -0.131 11.547 5.891 1.00 0.00 C ATOM 439 O THR A 34 -1.230 11.647 6.436 1.00 0.00 O ATOM 440 CB THR A 34 1.553 13.004 7.017 1.00 0.00 C ATOM 441 OG1 THR A 34 2.587 13.970 6.796 1.00 0.00 O ATOM 442 CG2 THR A 34 2.164 11.707 7.525 1.00 0.00 C ATOM 0 H THR A 34 -0.809 14.128 5.944 1.00 0.00 H new ATOM 0 HA THR A 34 1.471 12.580 4.903 1.00 0.00 H new ATOM 0 HB THR A 34 0.860 13.380 7.770 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.081 14.117 7.630 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.714 11.900 8.446 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.372 10.984 7.720 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.844 11.306 6.773 1.00 0.00 H new ATOM 450 N VAL A 35 0.345 10.395 5.428 1.00 0.00 N ATOM 451 CA VAL A 35 -0.415 9.155 5.537 1.00 0.00 C ATOM 452 C VAL A 35 0.503 7.971 5.820 1.00 0.00 C ATOM 453 O VAL A 35 1.586 7.861 5.245 1.00 0.00 O ATOM 454 CB VAL A 35 -1.217 8.874 4.253 1.00 0.00 C ATOM 455 CG1 VAL A 35 -1.955 7.548 4.364 1.00 0.00 C ATOM 456 CG2 VAL A 35 -2.186 10.011 3.970 1.00 0.00 C ATOM 0 H VAL A 35 1.253 10.295 4.974 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.108 9.280 6.369 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.520 8.806 3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.516 7.366 3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.236 6.743 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.642 7.584 5.209 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.744 9.795 3.059 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.880 10.114 4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.630 10.940 3.843 1.00 0.00 H new ATOM 466 N ARG A 36 0.063 7.088 6.710 1.00 0.00 N ATOM 467 CA ARG A 36 0.846 5.911 7.070 1.00 0.00 C ATOM 468 C ARG A 36 0.315 4.668 6.363 1.00 0.00 C ATOM 469 O ARG A 36 -0.783 4.194 6.657 1.00 0.00 O ATOM 470 CB ARG A 36 0.820 5.700 8.585 1.00 0.00 C ATOM 471 CG ARG A 36 0.855 4.237 8.996 1.00 0.00 C ATOM 472 CD ARG A 36 1.351 4.071 10.424 1.00 0.00 C ATOM 473 NE ARG A 36 2.676 4.654 10.614 1.00 0.00 N ATOM 474 CZ ARG A 36 3.404 4.483 11.711 1.00 0.00 C ATOM 475 NH1 ARG A 36 2.938 3.749 12.712 1.00 0.00 N ATOM 476 NH2 ARG A 36 4.602 5.046 11.810 1.00 0.00 N ATOM 0 H ARG A 36 -0.831 7.165 7.195 1.00 0.00 H new ATOM 0 HA ARG A 36 1.875 6.077 6.751 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.672 6.214 9.030 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.079 6.162 8.992 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.143 3.808 8.904 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.504 3.683 8.318 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.646 4.541 11.110 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.382 3.011 10.676 1.00 0.00 H new ATOM 0 HE ARG A 36 3.064 5.224 9.862 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.018 3.314 12.640 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.499 3.619 13.554 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.965 5.611 11.042 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.160 4.913 12.654 1.00 0.00 H new ATOM 490 N VAL A 37 1.101 4.144 5.427 1.00 0.00 N ATOM 491 CA VAL A 37 0.711 2.956 4.678 1.00 0.00 C ATOM 492 C VAL A 37 1.546 1.748 5.089 1.00 0.00 C ATOM 493 O VAL A 37 2.774 1.774 5.008 1.00 0.00 O ATOM 494 CB VAL A 37 0.857 3.176 3.161 1.00 0.00 C ATOM 495 CG1 VAL A 37 2.192 3.832 2.843 1.00 0.00 C ATOM 496 CG2 VAL A 37 0.711 1.857 2.415 1.00 0.00 C ATOM 0 H VAL A 37 2.012 4.524 5.170 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.337 2.765 4.910 1.00 0.00 H new ATOM 0 HB VAL A 37 0.062 3.845 2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.278 3.980 1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.253 4.796 3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.004 3.191 3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.817 2.031 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.483 1.163 2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.272 1.431 2.618 1.00 0.00 H new ATOM 506 N SER A 38 0.871 0.691 5.530 1.00 0.00 N ATOM 507 CA SER A 38 1.551 -0.526 5.957 1.00 0.00 C ATOM 508 C SER A 38 1.003 -1.742 5.217 1.00 0.00 C ATOM 509 O SER A 38 -0.174 -1.787 4.861 1.00 0.00 O ATOM 510 CB SER A 38 1.396 -0.719 7.466 1.00 0.00 C ATOM 511 OG SER A 38 0.061 -1.057 7.802 1.00 0.00 O ATOM 0 H SER A 38 -0.146 0.653 5.601 1.00 0.00 H new ATOM 0 HA SER A 38 2.610 -0.425 5.719 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.070 -1.505 7.807 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.685 0.195 7.984 1.00 0.00 H new ATOM 0 HG SER A 38 -0.012 -1.177 8.772 1.00 0.00 H new ATOM 517 N TRP A 39 1.865 -2.727 4.990 1.00 0.00 N ATOM 518 CA TRP A 39 1.468 -3.945 4.293 1.00 0.00 C ATOM 519 C TRP A 39 1.991 -5.181 5.016 1.00 0.00 C ATOM 520 O TRP A 39 2.990 -5.117 5.734 1.00 0.00 O ATOM 521 CB TRP A 39 1.985 -3.924 2.853 1.00 0.00 C ATOM 522 CG TRP A 39 3.419 -3.502 2.743 1.00 0.00 C ATOM 523 CD1 TRP A 39 4.501 -4.316 2.565 1.00 0.00 C ATOM 524 CD2 TRP A 39 3.926 -2.165 2.804 1.00 0.00 C ATOM 525 NE1 TRP A 39 5.650 -3.565 2.513 1.00 0.00 N ATOM 526 CE2 TRP A 39 5.324 -2.242 2.656 1.00 0.00 C ATOM 527 CE3 TRP A 39 3.334 -0.909 2.968 1.00 0.00 C ATOM 528 CZ2 TRP A 39 6.137 -1.112 2.669 1.00 0.00 C ATOM 529 CZ3 TRP A 39 4.142 0.211 2.980 1.00 0.00 C ATOM 530 CH2 TRP A 39 5.532 0.104 2.831 1.00 0.00 C ATOM 0 H TRP A 39 2.843 -2.706 5.278 1.00 0.00 H new ATOM 0 HA TRP A 39 0.379 -3.989 4.280 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.872 -4.918 2.419 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.368 -3.246 2.263 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.459 -5.392 2.478 1.00 0.00 H new ATOM 0 HE1 TRP A 39 6.593 -3.933 2.388 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.264 -0.816 3.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.208 -1.193 2.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.695 1.186 3.106 1.00 0.00 H new ATOM 0 HH2 TRP A 39 6.137 0.999 2.844 1.00 0.00 H new ATOM 541 N VAL A 40 1.310 -6.306 4.823 1.00 0.00 N ATOM 542 CA VAL A 40 1.708 -7.558 5.457 1.00 0.00 C ATOM 543 C VAL A 40 2.818 -8.245 4.669 1.00 0.00 C ATOM 544 O VAL A 40 2.651 -8.612 3.505 1.00 0.00 O ATOM 545 CB VAL A 40 0.515 -8.523 5.589 1.00 0.00 C ATOM 546 CG1 VAL A 40 1.002 -9.949 5.796 1.00 0.00 C ATOM 547 CG2 VAL A 40 -0.395 -8.091 6.730 1.00 0.00 C ATOM 0 H VAL A 40 0.481 -6.376 4.233 1.00 0.00 H new ATOM 0 HA VAL A 40 2.075 -7.306 6.452 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.060 -8.492 4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.145 -10.616 5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.610 -10.253 4.944 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.601 -10.001 6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.233 -8.784 6.809 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.167 -8.093 7.664 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.772 -7.087 6.535 1.00 0.00 H new ATOM 656 N ASN A 48 7.938 -16.767 -1.094 1.00 0.00 N ATOM 657 CA ASN A 48 7.888 -16.705 -2.551 1.00 0.00 C ATOM 658 C ASN A 48 9.131 -16.019 -3.109 1.00 0.00 C ATOM 659 O ASN A 48 9.611 -16.363 -4.188 1.00 0.00 O ATOM 660 CB ASN A 48 6.632 -15.959 -3.007 1.00 0.00 C ATOM 661 CG ASN A 48 6.208 -16.345 -4.411 1.00 0.00 C ATOM 662 OD1 ASN A 48 7.040 -16.691 -5.249 1.00 0.00 O ATOM 663 ND2 ASN A 48 4.908 -16.287 -4.673 1.00 0.00 N ATOM 0 HA ASN A 48 7.856 -17.725 -2.933 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.817 -16.168 -2.314 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.816 -14.885 -2.968 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.563 -16.535 -5.600 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.254 -15.994 -3.947 1.00 0.00 H new ATOM 670 N GLY A 49 9.647 -15.045 -2.365 1.00 0.00 N ATOM 671 CA GLY A 49 10.830 -14.326 -2.801 1.00 0.00 C ATOM 672 C GLY A 49 11.419 -13.460 -1.706 1.00 0.00 C ATOM 673 O GLY A 49 10.690 -12.906 -0.883 1.00 0.00 O ATOM 0 H GLY A 49 9.267 -14.741 -1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.581 -15.040 -3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.576 -13.701 -3.657 1.00 0.00 H new ATOM 677 N VAL A 50 12.743 -13.343 -1.693 1.00 0.00 N ATOM 678 CA VAL A 50 13.430 -12.538 -0.690 1.00 0.00 C ATOM 679 C VAL A 50 13.355 -11.054 -1.031 1.00 0.00 C ATOM 680 O VAL A 50 14.014 -10.586 -1.960 1.00 0.00 O ATOM 681 CB VAL A 50 14.908 -12.949 -0.557 1.00 0.00 C ATOM 682 CG1 VAL A 50 15.635 -12.767 -1.881 1.00 0.00 C ATOM 683 CG2 VAL A 50 15.585 -12.150 0.547 1.00 0.00 C ATOM 0 H VAL A 50 13.361 -13.796 -2.366 1.00 0.00 H new ATOM 0 HA VAL A 50 12.924 -12.716 0.259 1.00 0.00 H new ATOM 0 HB VAL A 50 14.951 -14.005 -0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.678 -13.063 -1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.163 -13.387 -2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.585 -11.721 -2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 50 16.629 -12.453 0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.533 -11.087 0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 50 15.079 -12.337 1.494 1.00 0.00 H new ATOM 693 N ILE A 51 12.549 -10.318 -0.273 1.00 0.00 N ATOM 694 CA ILE A 51 12.389 -8.886 -0.494 1.00 0.00 C ATOM 695 C ILE A 51 13.703 -8.145 -0.267 1.00 0.00 C ATOM 696 O ILE A 51 14.390 -8.367 0.731 1.00 0.00 O ATOM 697 CB ILE A 51 11.310 -8.291 0.430 1.00 0.00 C ATOM 698 CG1 ILE A 51 10.094 -9.216 0.492 1.00 0.00 C ATOM 699 CG2 ILE A 51 10.905 -6.906 -0.053 1.00 0.00 C ATOM 700 CD1 ILE A 51 9.605 -9.664 -0.868 1.00 0.00 C ATOM 0 H ILE A 51 11.997 -10.690 0.500 1.00 0.00 H new ATOM 0 HA ILE A 51 12.077 -8.759 -1.531 1.00 0.00 H new ATOM 0 HB ILE A 51 11.723 -8.198 1.434 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.346 -10.095 1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.283 -8.703 1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.142 -6.498 0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.776 -6.251 -0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.507 -6.976 -1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.741 -10.317 -0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.321 -8.792 -1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.400 -10.206 -1.380 1.00 0.00 H new ATOM 712 N THR A 52 14.046 -7.261 -1.199 1.00 0.00 N ATOM 713 CA THR A 52 15.277 -6.487 -1.101 1.00 0.00 C ATOM 714 C THR A 52 14.979 -5.004 -0.910 1.00 0.00 C ATOM 715 O THR A 52 15.850 -4.234 -0.506 1.00 0.00 O ATOM 716 CB THR A 52 16.155 -6.665 -2.353 1.00 0.00 C ATOM 717 OG1 THR A 52 17.416 -6.014 -2.165 1.00 0.00 O ATOM 718 CG2 THR A 52 15.464 -6.098 -3.584 1.00 0.00 C ATOM 0 H THR A 52 13.488 -7.064 -2.030 1.00 0.00 H new ATOM 0 HA THR A 52 15.818 -6.862 -0.232 1.00 0.00 H new ATOM 0 HB THR A 52 16.318 -7.732 -2.506 1.00 0.00 H new ATOM 0 HG1 THR A 52 17.331 -5.332 -1.467 1.00 0.00 H new ATOM 0 HG21 THR A 52 16.104 -6.235 -4.456 1.00 0.00 H new ATOM 0 HG22 THR A 52 14.519 -6.617 -3.742 1.00 0.00 H new ATOM 0 HG23 THR A 52 15.274 -5.035 -3.437 1.00 0.00 H new ATOM 726 N GLN A 53 13.743 -4.611 -1.203 1.00 0.00 N ATOM 727 CA GLN A 53 13.332 -3.219 -1.064 1.00 0.00 C ATOM 728 C GLN A 53 11.836 -3.065 -1.317 1.00 0.00 C ATOM 729 O GLN A 53 11.233 -3.864 -2.034 1.00 0.00 O ATOM 730 CB GLN A 53 14.119 -2.333 -2.031 1.00 0.00 C ATOM 731 CG GLN A 53 13.816 -2.611 -3.494 1.00 0.00 C ATOM 732 CD GLN A 53 14.755 -1.881 -4.434 1.00 0.00 C ATOM 733 OE1 GLN A 53 15.500 -2.503 -5.192 1.00 0.00 O ATOM 734 NE2 GLN A 53 14.725 -0.554 -4.389 1.00 0.00 N ATOM 0 H GLN A 53 13.010 -5.236 -1.538 1.00 0.00 H new ATOM 0 HA GLN A 53 13.543 -2.905 -0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.898 -1.288 -1.815 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.185 -2.476 -1.856 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.885 -3.683 -3.678 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.789 -2.316 -3.711 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.092 -0.080 -3.745 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.335 -0.009 -4.998 1.00 0.00 H new ATOM 743 N TYR A 54 11.243 -2.035 -0.725 1.00 0.00 N ATOM 744 CA TYR A 54 9.817 -1.778 -0.885 1.00 0.00 C ATOM 745 C TYR A 54 9.578 -0.440 -1.577 1.00 0.00 C ATOM 746 O TYR A 54 10.276 0.540 -1.317 1.00 0.00 O ATOM 747 CB TYR A 54 9.119 -1.792 0.476 1.00 0.00 C ATOM 748 CG TYR A 54 8.931 -3.180 1.046 1.00 0.00 C ATOM 749 CD1 TYR A 54 7.951 -4.030 0.547 1.00 0.00 C ATOM 750 CD2 TYR A 54 9.732 -3.641 2.084 1.00 0.00 C ATOM 751 CE1 TYR A 54 7.775 -5.299 1.065 1.00 0.00 C ATOM 752 CE2 TYR A 54 9.563 -4.909 2.607 1.00 0.00 C ATOM 753 CZ TYR A 54 8.584 -5.734 2.094 1.00 0.00 C ATOM 754 OH TYR A 54 8.412 -6.996 2.613 1.00 0.00 O ATOM 0 H TYR A 54 11.728 -1.364 -0.129 1.00 0.00 H new ATOM 0 HA TYR A 54 9.400 -2.569 -1.509 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.700 -1.195 1.179 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.145 -1.313 0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.316 -3.693 -0.259 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.499 -2.998 2.489 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.008 -5.947 0.666 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.194 -5.252 3.413 1.00 0.00 H new ATOM 0 HH TYR A 54 9.063 -7.146 3.330 1.00 0.00 H new ATOM 764 N SER A 55 8.586 -0.407 -2.461 1.00 0.00 N ATOM 765 CA SER A 55 8.255 0.809 -3.195 1.00 0.00 C ATOM 766 C SER A 55 6.837 1.269 -2.872 1.00 0.00 C ATOM 767 O SER A 55 5.941 0.453 -2.656 1.00 0.00 O ATOM 768 CB SER A 55 8.398 0.576 -4.700 1.00 0.00 C ATOM 769 OG SER A 55 8.748 1.775 -5.370 1.00 0.00 O ATOM 0 H SER A 55 7.997 -1.209 -2.686 1.00 0.00 H new ATOM 0 HA SER A 55 8.950 1.590 -2.888 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.159 -0.182 -4.883 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.461 0.191 -5.102 1.00 0.00 H new ATOM 0 HG SER A 55 8.835 1.600 -6.330 1.00 0.00 H new ATOM 775 N VAL A 56 6.641 2.584 -2.841 1.00 0.00 N ATOM 776 CA VAL A 56 5.332 3.155 -2.546 1.00 0.00 C ATOM 777 C VAL A 56 5.014 4.314 -3.484 1.00 0.00 C ATOM 778 O VAL A 56 5.832 5.213 -3.675 1.00 0.00 O ATOM 779 CB VAL A 56 5.252 3.651 -1.090 1.00 0.00 C ATOM 780 CG1 VAL A 56 3.861 4.187 -0.784 1.00 0.00 C ATOM 781 CG2 VAL A 56 5.625 2.535 -0.126 1.00 0.00 C ATOM 0 H VAL A 56 7.372 3.273 -3.017 1.00 0.00 H new ATOM 0 HA VAL A 56 4.600 2.361 -2.693 1.00 0.00 H new ATOM 0 HB VAL A 56 5.966 4.465 -0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.823 4.533 0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.636 5.017 -1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.126 3.395 -0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.563 2.903 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.937 1.699 -0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.642 2.202 -0.331 1.00 0.00 H new ATOM 791 N ALA A 57 3.820 4.285 -4.067 1.00 0.00 N ATOM 792 CA ALA A 57 3.393 5.334 -4.984 1.00 0.00 C ATOM 793 C ALA A 57 2.039 5.904 -4.573 1.00 0.00 C ATOM 794 O ALA A 57 1.205 5.199 -4.005 1.00 0.00 O ATOM 795 CB ALA A 57 3.333 4.800 -6.407 1.00 0.00 C ATOM 0 H ALA A 57 3.132 3.547 -3.920 1.00 0.00 H new ATOM 0 HA ALA A 57 4.126 6.140 -4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.013 5.595 -7.081 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.320 4.448 -6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.623 3.974 -6.456 1.00 0.00 H new ATOM 801 N TYR A 58 1.828 7.183 -4.863 1.00 0.00 N ATOM 802 CA TYR A 58 0.576 7.848 -4.521 1.00 0.00 C ATOM 803 C TYR A 58 0.127 8.776 -5.646 1.00 0.00 C ATOM 804 O TYR A 58 0.950 9.393 -6.321 1.00 0.00 O ATOM 805 CB TYR A 58 0.734 8.640 -3.223 1.00 0.00 C ATOM 806 CG TYR A 58 1.944 9.547 -3.210 1.00 0.00 C ATOM 807 CD1 TYR A 58 3.200 9.056 -2.875 1.00 0.00 C ATOM 808 CD2 TYR A 58 1.831 10.894 -3.531 1.00 0.00 C ATOM 809 CE1 TYR A 58 4.308 9.880 -2.861 1.00 0.00 C ATOM 810 CE2 TYR A 58 2.934 11.725 -3.521 1.00 0.00 C ATOM 811 CZ TYR A 58 4.170 11.214 -3.185 1.00 0.00 C ATOM 812 OH TYR A 58 5.271 12.039 -3.173 1.00 0.00 O ATOM 0 H TYR A 58 2.508 7.780 -5.334 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.187 7.082 -4.381 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.161 9.241 -3.062 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.804 7.943 -2.388 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.312 8.012 -2.621 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.864 11.298 -3.793 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.277 9.482 -2.598 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.829 12.769 -3.775 1.00 0.00 H new ATOM 0 HH TYR A 58 5.418 12.401 -4.072 1.00 0.00 H new ATOM 822 N GLU A 59 -1.185 8.869 -5.839 1.00 0.00 N ATOM 823 CA GLU A 59 -1.744 9.722 -6.882 1.00 0.00 C ATOM 824 C GLU A 59 -3.163 10.155 -6.527 1.00 0.00 C ATOM 825 O GLU A 59 -3.992 9.337 -6.129 1.00 0.00 O ATOM 826 CB GLU A 59 -1.742 8.990 -8.226 1.00 0.00 C ATOM 827 CG GLU A 59 -2.070 9.887 -9.407 1.00 0.00 C ATOM 828 CD GLU A 59 -3.557 9.952 -9.696 1.00 0.00 C ATOM 829 OE1 GLU A 59 -4.282 9.020 -9.290 1.00 0.00 O ATOM 830 OE2 GLU A 59 -3.996 10.935 -10.329 1.00 0.00 O ATOM 0 H GLU A 59 -1.880 8.365 -5.288 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.120 10.612 -6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.762 8.540 -8.384 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.465 8.175 -8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.698 10.892 -9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.548 9.522 -10.291 1.00 0.00 H new ATOM 837 N ALA A 60 -3.436 11.447 -6.676 1.00 0.00 N ATOM 838 CA ALA A 60 -4.755 11.989 -6.373 1.00 0.00 C ATOM 839 C ALA A 60 -5.784 11.535 -7.402 1.00 0.00 C ATOM 840 O ALA A 60 -5.599 11.722 -8.605 1.00 0.00 O ATOM 841 CB ALA A 60 -4.700 13.508 -6.314 1.00 0.00 C ATOM 0 H ALA A 60 -2.761 12.138 -7.005 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.062 11.609 -5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.692 13.899 -6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.001 13.817 -5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.368 13.898 -7.276 1.00 0.00 H new ATOM 847 N VAL A 61 -6.870 10.936 -6.922 1.00 0.00 N ATOM 848 CA VAL A 61 -7.930 10.456 -7.800 1.00 0.00 C ATOM 849 C VAL A 61 -8.990 11.529 -8.021 1.00 0.00 C ATOM 850 O VAL A 61 -9.571 11.629 -9.102 1.00 0.00 O ATOM 851 CB VAL A 61 -8.603 9.194 -7.229 1.00 0.00 C ATOM 852 CG1 VAL A 61 -9.258 9.497 -5.890 1.00 0.00 C ATOM 853 CG2 VAL A 61 -9.620 8.640 -8.215 1.00 0.00 C ATOM 0 H VAL A 61 -7.038 10.772 -5.929 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.463 10.210 -8.754 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.836 8.436 -7.068 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.728 8.593 -5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.502 9.844 -5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.014 10.271 -6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.086 7.748 -7.795 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.385 9.392 -8.410 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.119 8.382 -9.148 1.00 0.00 H new ATOM 863 N ASP A 62 -9.237 12.329 -6.990 1.00 0.00 N ATOM 864 CA ASP A 62 -10.226 13.397 -7.071 1.00 0.00 C ATOM 865 C ASP A 62 -9.588 14.753 -6.786 1.00 0.00 C ATOM 866 O ASP A 62 -10.254 15.680 -6.327 1.00 0.00 O ATOM 867 CB ASP A 62 -11.367 13.140 -6.085 1.00 0.00 C ATOM 868 CG ASP A 62 -12.686 13.714 -6.564 1.00 0.00 C ATOM 869 OD1 ASP A 62 -13.400 13.016 -7.313 1.00 0.00 O ATOM 870 OD2 ASP A 62 -13.005 14.862 -6.189 1.00 0.00 O ATOM 0 H ASP A 62 -8.766 12.258 -6.088 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.627 13.410 -8.085 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.476 12.066 -5.931 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.114 13.576 -5.119 1.00 0.00 H new ATOM 875 N GLY A 63 -8.291 14.860 -7.060 1.00 0.00 N ATOM 876 CA GLY A 63 -7.584 16.105 -6.826 1.00 0.00 C ATOM 877 C GLY A 63 -7.352 16.889 -8.102 1.00 0.00 C ATOM 878 O GLY A 63 -7.863 16.528 -9.161 1.00 0.00 O ATOM 0 H GLY A 63 -7.718 14.107 -7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.153 16.716 -6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.624 15.891 -6.355 1.00 0.00 H new ATOM 882 N GLU A 64 -6.580 17.967 -8.001 1.00 0.00 N ATOM 883 CA GLU A 64 -6.284 18.805 -9.157 1.00 0.00 C ATOM 884 C GLU A 64 -5.247 18.142 -10.059 1.00 0.00 C ATOM 885 O GLU A 64 -5.456 18.002 -11.264 1.00 0.00 O ATOM 886 CB GLU A 64 -5.780 20.177 -8.704 1.00 0.00 C ATOM 887 CG GLU A 64 -6.884 21.208 -8.541 1.00 0.00 C ATOM 888 CD GLU A 64 -7.131 22.004 -9.808 1.00 0.00 C ATOM 889 OE1 GLU A 64 -6.148 22.502 -10.396 1.00 0.00 O ATOM 890 OE2 GLU A 64 -8.306 22.129 -10.211 1.00 0.00 O ATOM 0 H GLU A 64 -6.149 18.280 -7.131 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.205 18.934 -9.726 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.255 20.067 -7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.054 20.546 -9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.805 20.705 -8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.622 21.891 -7.733 1.00 0.00 H new ATOM 897 N ASP A 65 -4.129 17.737 -9.467 1.00 0.00 N ATOM 898 CA ASP A 65 -3.059 17.089 -10.215 1.00 0.00 C ATOM 899 C ASP A 65 -3.177 15.570 -10.127 1.00 0.00 C ATOM 900 O ASP A 65 -3.112 14.995 -9.040 1.00 0.00 O ATOM 901 CB ASP A 65 -1.695 17.538 -9.690 1.00 0.00 C ATOM 902 CG ASP A 65 -0.599 17.394 -10.727 1.00 0.00 C ATOM 903 OD1 ASP A 65 -0.643 16.418 -11.505 1.00 0.00 O ATOM 904 OD2 ASP A 65 0.304 18.256 -10.760 1.00 0.00 O ATOM 0 H ASP A 65 -3.940 17.846 -8.471 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.151 17.383 -11.261 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.756 18.579 -9.372 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.437 16.951 -8.809 1.00 0.00 H new ATOM 909 N ARG A 66 -3.352 14.927 -11.276 1.00 0.00 N ATOM 910 CA ARG A 66 -3.481 13.476 -11.328 1.00 0.00 C ATOM 911 C ARG A 66 -2.118 12.815 -11.510 1.00 0.00 C ATOM 912 O ARG A 66 -2.018 11.712 -12.046 1.00 0.00 O ATOM 913 CB ARG A 66 -4.415 13.066 -12.469 1.00 0.00 C ATOM 914 CG ARG A 66 -5.879 13.003 -12.065 1.00 0.00 C ATOM 915 CD ARG A 66 -6.542 14.368 -12.158 1.00 0.00 C ATOM 916 NE ARG A 66 -6.592 14.860 -13.532 1.00 0.00 N ATOM 917 CZ ARG A 66 -7.333 15.892 -13.917 1.00 0.00 C ATOM 918 NH1 ARG A 66 -8.083 16.539 -13.035 1.00 0.00 N ATOM 919 NH2 ARG A 66 -7.326 16.280 -15.186 1.00 0.00 N ATOM 0 H ARG A 66 -3.408 15.388 -12.184 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.905 13.140 -10.382 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.304 13.774 -13.290 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.108 12.090 -12.845 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.405 12.297 -12.708 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.960 12.627 -11.045 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.554 14.307 -11.758 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.996 15.079 -11.538 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.026 14.384 -14.235 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.091 16.244 -12.059 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.652 17.332 -13.333 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.751 15.785 -15.867 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.896 17.073 -15.480 1.00 0.00 H new ATOM 933 N GLY A 67 -1.070 13.498 -11.060 1.00 0.00 N ATOM 934 CA GLY A 67 0.273 12.962 -11.182 1.00 0.00 C ATOM 935 C GLY A 67 0.592 11.944 -10.105 1.00 0.00 C ATOM 936 O GLY A 67 0.429 12.218 -8.916 1.00 0.00 O ATOM 0 H GLY A 67 -1.127 14.413 -10.613 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.388 12.498 -12.162 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.993 13.779 -11.130 1.00 0.00 H new ATOM 940 N ARG A 68 1.046 10.767 -10.521 1.00 0.00 N ATOM 941 CA ARG A 68 1.386 9.704 -9.583 1.00 0.00 C ATOM 942 C ARG A 68 2.858 9.777 -9.188 1.00 0.00 C ATOM 943 O ARG A 68 3.745 9.687 -10.038 1.00 0.00 O ATOM 944 CB ARG A 68 1.078 8.336 -10.195 1.00 0.00 C ATOM 945 CG ARG A 68 1.390 7.171 -9.271 1.00 0.00 C ATOM 946 CD ARG A 68 1.643 5.891 -10.053 1.00 0.00 C ATOM 947 NE ARG A 68 1.288 4.701 -9.284 1.00 0.00 N ATOM 948 CZ ARG A 68 1.271 3.475 -9.794 1.00 0.00 C ATOM 949 NH1 ARG A 68 1.589 3.278 -11.067 1.00 0.00 N ATOM 950 NH2 ARG A 68 0.937 2.442 -9.032 1.00 0.00 N ATOM 0 H ARG A 68 1.187 10.525 -11.502 1.00 0.00 H new ATOM 0 HA ARG A 68 0.780 9.838 -8.687 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.024 8.299 -10.469 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.651 8.222 -11.115 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.266 7.409 -8.667 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.559 7.019 -8.582 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.066 5.911 -10.977 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.695 5.840 -10.335 1.00 0.00 H new ATOM 0 HE ARG A 68 1.040 4.818 -8.302 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.847 4.069 -11.656 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.575 2.335 -11.456 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.693 2.589 -8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.924 1.501 -9.425 1.00 0.00 H new ATOM 964 N HIS A 69 3.111 9.941 -7.893 1.00 0.00 N ATOM 965 CA HIS A 69 4.476 10.026 -7.385 1.00 0.00 C ATOM 966 C HIS A 69 4.971 8.657 -6.927 1.00 0.00 C ATOM 967 O HIS A 69 4.178 7.749 -6.680 1.00 0.00 O ATOM 968 CB HIS A 69 4.551 11.022 -6.228 1.00 0.00 C ATOM 969 CG HIS A 69 4.622 12.451 -6.672 1.00 0.00 C ATOM 970 ND1 HIS A 69 5.699 13.269 -6.405 1.00 0.00 N ATOM 971 CD2 HIS A 69 3.742 13.206 -7.370 1.00 0.00 C ATOM 972 CE1 HIS A 69 5.478 14.466 -6.918 1.00 0.00 C ATOM 973 NE2 HIS A 69 4.297 14.454 -7.509 1.00 0.00 N ATOM 0 H HIS A 69 2.389 10.018 -7.177 1.00 0.00 H new ATOM 0 HA HIS A 69 5.118 10.373 -8.195 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.677 10.891 -5.590 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.427 10.795 -5.620 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.782 12.886 -7.747 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.149 15.311 -6.863 1.00 0.00 H new ATOM 0 HE2 HIS A 69 3.867 15.244 -7.991 1.00 0.00 H new ATOM 982 N VAL A 70 6.288 8.517 -6.816 1.00 0.00 N ATOM 983 CA VAL A 70 6.890 7.260 -6.387 1.00 0.00 C ATOM 984 C VAL A 70 7.971 7.497 -5.339 1.00 0.00 C ATOM 985 O VAL A 70 8.752 8.444 -5.440 1.00 0.00 O ATOM 986 CB VAL A 70 7.501 6.496 -7.576 1.00 0.00 C ATOM 987 CG1 VAL A 70 8.072 5.163 -7.117 1.00 0.00 C ATOM 988 CG2 VAL A 70 6.463 6.292 -8.669 1.00 0.00 C ATOM 0 H VAL A 70 6.959 9.259 -7.017 1.00 0.00 H new ATOM 0 HA VAL A 70 6.092 6.660 -5.951 1.00 0.00 H new ATOM 0 HB VAL A 70 8.316 7.091 -7.988 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.499 4.637 -7.971 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.848 5.337 -6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.278 4.558 -6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.913 5.750 -9.501 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.625 5.718 -8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.106 7.261 -9.017 1.00 0.00 H new ATOM 998 N VAL A 71 8.012 6.631 -4.332 1.00 0.00 N ATOM 999 CA VAL A 71 9.000 6.745 -3.265 1.00 0.00 C ATOM 1000 C VAL A 71 10.187 5.822 -3.514 1.00 0.00 C ATOM 1001 O VAL A 71 10.016 4.641 -3.818 1.00 0.00 O ATOM 1002 CB VAL A 71 8.384 6.412 -1.893 1.00 0.00 C ATOM 1003 CG1 VAL A 71 9.437 6.502 -0.799 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.215 7.339 -1.595 1.00 0.00 C ATOM 0 H VAL A 71 7.373 5.843 -4.232 1.00 0.00 H new ATOM 0 HA VAL A 71 9.343 7.780 -3.260 1.00 0.00 H new ATOM 0 HB VAL A 71 8.009 5.389 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.983 6.264 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.239 5.794 -1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.844 7.513 -0.768 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.792 7.090 -0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.563 8.372 -1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.452 7.221 -2.364 1.00 0.00 H new ATOM 1014 N ASP A 72 11.391 6.368 -3.383 1.00 0.00 N ATOM 1015 CA ASP A 72 12.609 5.593 -3.593 1.00 0.00 C ATOM 1016 C ASP A 72 13.511 5.656 -2.364 1.00 0.00 C ATOM 1017 O ASP A 72 13.509 6.643 -1.630 1.00 0.00 O ATOM 1018 CB ASP A 72 13.361 6.108 -4.820 1.00 0.00 C ATOM 1019 CG ASP A 72 13.774 7.560 -4.680 1.00 0.00 C ATOM 1020 OD1 ASP A 72 12.877 8.425 -4.584 1.00 0.00 O ATOM 1021 OD2 ASP A 72 14.992 7.832 -4.665 1.00 0.00 O ATOM 0 H ASP A 72 11.550 7.344 -3.132 1.00 0.00 H new ATOM 0 HA ASP A 72 12.325 4.554 -3.761 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.248 5.495 -4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.730 5.996 -5.702 1.00 0.00 H new ATOM 1026 N GLY A 73 14.280 4.593 -2.146 1.00 0.00 N ATOM 1027 CA GLY A 73 15.175 4.547 -1.005 1.00 0.00 C ATOM 1028 C GLY A 73 14.468 4.134 0.271 1.00 0.00 C ATOM 1029 O GLY A 73 14.567 4.815 1.292 1.00 0.00 O ATOM 0 H GLY A 73 14.299 3.763 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.985 3.847 -1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.629 5.528 -0.864 1.00 0.00 H new ATOM 1033 N ILE A 74 13.750 3.017 0.213 1.00 0.00 N ATOM 1034 CA ILE A 74 13.023 2.516 1.372 1.00 0.00 C ATOM 1035 C ILE A 74 13.668 1.247 1.919 1.00 0.00 C ATOM 1036 O ILE A 74 13.918 0.296 1.177 1.00 0.00 O ATOM 1037 CB ILE A 74 11.551 2.223 1.030 1.00 0.00 C ATOM 1038 CG1 ILE A 74 10.813 3.522 0.698 1.00 0.00 C ATOM 1039 CG2 ILE A 74 10.871 1.502 2.185 1.00 0.00 C ATOM 1040 CD1 ILE A 74 9.420 3.304 0.151 1.00 0.00 C ATOM 0 H ILE A 74 13.657 2.442 -0.624 1.00 0.00 H new ATOM 0 HA ILE A 74 13.063 3.297 2.131 1.00 0.00 H new ATOM 0 HB ILE A 74 11.520 1.575 0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.749 4.134 1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.396 4.086 -0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.831 1.302 1.927 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.384 0.560 2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.910 2.127 3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.958 4.268 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.477 2.719 -0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.820 2.768 0.886 1.00 0.00 H new ATOM 1052 N SER A 75 13.934 1.238 3.221 1.00 0.00 N ATOM 1053 CA SER A 75 14.552 0.086 3.867 1.00 0.00 C ATOM 1054 C SER A 75 13.597 -1.104 3.885 1.00 0.00 C ATOM 1055 O SER A 75 12.416 -0.961 4.201 1.00 0.00 O ATOM 1056 CB SER A 75 14.971 0.440 5.296 1.00 0.00 C ATOM 1057 OG SER A 75 16.190 1.163 5.306 1.00 0.00 O ATOM 0 H SER A 75 13.731 2.015 3.849 1.00 0.00 H new ATOM 0 HA SER A 75 15.437 -0.189 3.294 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.189 1.033 5.771 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.081 -0.472 5.883 1.00 0.00 H new ATOM 0 HG SER A 75 16.435 1.379 6.230 1.00 0.00 H new ATOM 1063 N ARG A 76 14.119 -2.277 3.543 1.00 0.00 N ATOM 1064 CA ARG A 76 13.314 -3.492 3.518 1.00 0.00 C ATOM 1065 C ARG A 76 12.834 -3.856 4.920 1.00 0.00 C ATOM 1066 O ARG A 76 11.926 -4.670 5.083 1.00 0.00 O ATOM 1067 CB ARG A 76 14.119 -4.651 2.927 1.00 0.00 C ATOM 1068 CG ARG A 76 15.290 -5.083 3.794 1.00 0.00 C ATOM 1069 CD ARG A 76 16.272 -5.945 3.015 1.00 0.00 C ATOM 1070 NE ARG A 76 17.233 -5.138 2.267 1.00 0.00 N ATOM 1071 CZ ARG A 76 18.360 -5.623 1.757 1.00 0.00 C ATOM 1072 NH1 ARG A 76 18.665 -6.904 1.913 1.00 0.00 N ATOM 1073 NH2 ARG A 76 19.184 -4.827 1.088 1.00 0.00 N ATOM 0 H ARG A 76 15.095 -2.412 3.280 1.00 0.00 H new ATOM 0 HA ARG A 76 12.442 -3.306 2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.456 -5.503 2.776 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.493 -4.360 1.945 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.803 -4.202 4.179 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.921 -5.639 4.656 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.806 -6.599 3.704 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.724 -6.587 2.326 1.00 0.00 H new ATOM 0 HE ARG A 76 17.028 -4.148 2.129 1.00 0.00 H new ATOM 0 HH11 ARG A 76 18.034 -7.520 2.426 1.00 0.00 H new ATOM 0 HH12 ARG A 76 19.531 -7.274 1.520 1.00 0.00 H new ATOM 0 HH21 ARG A 76 18.953 -3.841 0.965 1.00 0.00 H new ATOM 0 HH22 ARG A 76 20.049 -5.201 0.697 1.00 0.00 H new ATOM 1087 N GLU A 77 13.450 -3.245 5.927 1.00 0.00 N ATOM 1088 CA GLU A 77 13.086 -3.506 7.315 1.00 0.00 C ATOM 1089 C GLU A 77 11.878 -2.669 7.727 1.00 0.00 C ATOM 1090 O GLU A 77 11.559 -2.561 8.912 1.00 0.00 O ATOM 1091 CB GLU A 77 14.267 -3.208 8.240 1.00 0.00 C ATOM 1092 CG GLU A 77 15.526 -3.984 7.890 1.00 0.00 C ATOM 1093 CD GLU A 77 16.342 -3.312 6.803 1.00 0.00 C ATOM 1094 OE1 GLU A 77 16.339 -2.064 6.744 1.00 0.00 O ATOM 1095 OE2 GLU A 77 16.984 -4.034 6.012 1.00 0.00 O ATOM 0 H GLU A 77 14.202 -2.567 5.808 1.00 0.00 H new ATOM 0 HA GLU A 77 12.823 -4.560 7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 77 14.486 -2.141 8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.981 -3.439 9.266 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.140 -4.095 8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.251 -4.988 7.565 1.00 0.00 H new ATOM 1102 N HIS A 78 11.211 -2.077 6.741 1.00 0.00 N ATOM 1103 CA HIS A 78 10.039 -1.249 7.001 1.00 0.00 C ATOM 1104 C HIS A 78 8.845 -1.726 6.179 1.00 0.00 C ATOM 1105 O HIS A 78 8.800 -1.536 4.964 1.00 0.00 O ATOM 1106 CB HIS A 78 10.341 0.215 6.680 1.00 0.00 C ATOM 1107 CG HIS A 78 10.923 0.972 7.834 1.00 0.00 C ATOM 1108 ND1 HIS A 78 10.244 1.182 9.016 1.00 0.00 N ATOM 1109 CD2 HIS A 78 12.128 1.570 7.983 1.00 0.00 C ATOM 1110 CE1 HIS A 78 11.005 1.878 9.841 1.00 0.00 C ATOM 1111 NE2 HIS A 78 12.154 2.126 9.239 1.00 0.00 N ATOM 0 H HIS A 78 11.462 -2.155 5.755 1.00 0.00 H new ATOM 0 HA HIS A 78 9.789 -1.337 8.058 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.034 0.259 5.840 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.422 0.706 6.360 1.00 0.00 H new ATOM 0 HD2 HIS A 78 12.921 1.604 7.251 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.734 2.191 10.838 1.00 0.00 H new ATOM 0 HE2 HIS A 78 12.934 2.646 9.641 1.00 0.00 H new ATOM 1120 N SER A 79 7.880 -2.346 6.851 1.00 0.00 N ATOM 1121 CA SER A 79 6.688 -2.854 6.182 1.00 0.00 C ATOM 1122 C SER A 79 5.651 -1.749 6.006 1.00 0.00 C ATOM 1123 O SER A 79 4.517 -2.005 5.602 1.00 0.00 O ATOM 1124 CB SER A 79 6.085 -4.012 6.979 1.00 0.00 C ATOM 1125 OG SER A 79 5.688 -3.589 8.272 1.00 0.00 O ATOM 0 H SER A 79 7.900 -2.509 7.858 1.00 0.00 H new ATOM 0 HA SER A 79 6.981 -3.214 5.196 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.225 -4.416 6.445 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.814 -4.818 7.064 1.00 0.00 H new ATOM 0 HG SER A 79 5.304 -4.347 8.761 1.00 0.00 H new ATOM 1131 N SER A 80 6.050 -0.518 6.312 1.00 0.00 N ATOM 1132 CA SER A 80 5.155 0.627 6.192 1.00 0.00 C ATOM 1133 C SER A 80 5.928 1.879 5.788 1.00 0.00 C ATOM 1134 O SER A 80 7.158 1.899 5.818 1.00 0.00 O ATOM 1135 CB SER A 80 4.423 0.870 7.513 1.00 0.00 C ATOM 1136 OG SER A 80 5.333 0.932 8.597 1.00 0.00 O ATOM 0 H SER A 80 6.987 -0.288 6.645 1.00 0.00 H new ATOM 0 HA SER A 80 4.423 0.406 5.415 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.859 1.801 7.454 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.702 0.071 7.685 1.00 0.00 H new ATOM 0 HG SER A 80 4.840 1.090 9.429 1.00 0.00 H new ATOM 1142 N TRP A 81 5.196 2.922 5.411 1.00 0.00 N ATOM 1143 CA TRP A 81 5.812 4.179 5.001 1.00 0.00 C ATOM 1144 C TRP A 81 4.881 5.355 5.275 1.00 0.00 C ATOM 1145 O TRP A 81 3.660 5.204 5.280 1.00 0.00 O ATOM 1146 CB TRP A 81 6.171 4.133 3.515 1.00 0.00 C ATOM 1147 CG TRP A 81 6.906 5.352 3.044 1.00 0.00 C ATOM 1148 CD1 TRP A 81 6.397 6.379 2.302 1.00 0.00 C ATOM 1149 CD2 TRP A 81 8.282 5.669 3.282 1.00 0.00 C ATOM 1150 NE1 TRP A 81 7.374 7.316 2.064 1.00 0.00 N ATOM 1151 CE2 TRP A 81 8.539 6.904 2.655 1.00 0.00 C ATOM 1152 CE3 TRP A 81 9.320 5.031 3.965 1.00 0.00 C ATOM 1153 CZ2 TRP A 81 9.792 7.510 2.692 1.00 0.00 C ATOM 1154 CZ3 TRP A 81 10.563 5.633 4.000 1.00 0.00 C ATOM 1155 CH2 TRP A 81 10.791 6.863 3.368 1.00 0.00 C ATOM 0 H TRP A 81 4.176 2.922 5.381 1.00 0.00 H new ATOM 0 HA TRP A 81 6.723 4.317 5.584 1.00 0.00 H new ATOM 0 HB2 TRP A 81 6.783 3.252 3.323 1.00 0.00 H new ATOM 0 HB3 TRP A 81 5.258 4.020 2.931 1.00 0.00 H new ATOM 0 HD1 TRP A 81 5.377 6.445 1.953 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.251 8.178 1.533 1.00 0.00 H new ATOM 0 HE3 TRP A 81 9.154 4.084 4.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 9.969 8.457 2.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 11.373 5.147 4.524 1.00 0.00 H new ATOM 0 HH2 TRP A 81 11.774 7.309 3.415 1.00 0.00 H new ATOM 1166 N ASP A 82 5.467 6.526 5.503 1.00 0.00 N ATOM 1167 CA ASP A 82 4.689 7.729 5.778 1.00 0.00 C ATOM 1168 C ASP A 82 4.831 8.738 4.643 1.00 0.00 C ATOM 1169 O ASP A 82 5.858 9.405 4.515 1.00 0.00 O ATOM 1170 CB ASP A 82 5.136 8.361 7.097 1.00 0.00 C ATOM 1171 CG ASP A 82 5.215 7.351 8.225 1.00 0.00 C ATOM 1172 OD1 ASP A 82 5.259 6.137 7.934 1.00 0.00 O ATOM 1173 OD2 ASP A 82 5.234 7.774 9.400 1.00 0.00 O ATOM 0 H ASP A 82 6.477 6.668 5.503 1.00 0.00 H new ATOM 0 HA ASP A 82 3.640 7.443 5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.112 8.827 6.961 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.440 9.154 7.371 1.00 0.00 H new ATOM 1178 N LEU A 83 3.793 8.844 3.820 1.00 0.00 N ATOM 1179 CA LEU A 83 3.802 9.771 2.693 1.00 0.00 C ATOM 1180 C LEU A 83 3.811 11.217 3.179 1.00 0.00 C ATOM 1181 O LEU A 83 3.281 11.528 4.245 1.00 0.00 O ATOM 1182 CB LEU A 83 2.585 9.529 1.799 1.00 0.00 C ATOM 1183 CG LEU A 83 2.471 8.134 1.182 1.00 0.00 C ATOM 1184 CD1 LEU A 83 1.141 7.975 0.463 1.00 0.00 C ATOM 1185 CD2 LEU A 83 3.629 7.877 0.229 1.00 0.00 C ATOM 0 H LEU A 83 2.935 8.300 3.912 1.00 0.00 H new ATOM 0 HA LEU A 83 4.710 9.595 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.686 9.720 2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.601 10.261 0.992 1.00 0.00 H new ATOM 0 HG LEU A 83 2.516 7.398 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.078 6.976 0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.325 8.115 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.065 8.719 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.532 6.880 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.615 8.619 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.571 7.947 0.773 1.00 0.00 H new ATOM 1197 N VAL A 84 4.415 12.098 2.387 1.00 0.00 N ATOM 1198 CA VAL A 84 4.491 13.512 2.734 1.00 0.00 C ATOM 1199 C VAL A 84 4.355 14.390 1.495 1.00 0.00 C ATOM 1200 O VAL A 84 5.091 14.227 0.522 1.00 0.00 O ATOM 1201 CB VAL A 84 5.817 13.846 3.443 1.00 0.00 C ATOM 1202 CG1 VAL A 84 5.929 13.081 4.754 1.00 0.00 C ATOM 1203 CG2 VAL A 84 6.998 13.540 2.535 1.00 0.00 C ATOM 0 H VAL A 84 4.859 11.857 1.501 1.00 0.00 H new ATOM 0 HA VAL A 84 3.663 13.716 3.413 1.00 0.00 H new ATOM 0 HB VAL A 84 5.829 14.912 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.872 13.330 5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.100 13.355 5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.895 12.010 4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.927 13.782 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.992 12.481 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.923 14.137 1.626 1.00 0.00 H new ATOM 1213 N GLY A 85 3.408 15.322 1.537 1.00 0.00 N ATOM 1214 CA GLY A 85 3.193 16.213 0.412 1.00 0.00 C ATOM 1215 C GLY A 85 1.922 15.890 -0.348 1.00 0.00 C ATOM 1216 O GLY A 85 1.919 15.850 -1.579 1.00 0.00 O ATOM 0 H GLY A 85 2.786 15.476 2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.147 17.241 0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.044 16.149 -0.266 1.00 0.00 H new ATOM 1220 N LEU A 86 0.839 15.657 0.385 1.00 0.00 N ATOM 1221 CA LEU A 86 -0.445 15.334 -0.227 1.00 0.00 C ATOM 1222 C LEU A 86 -1.455 16.454 0.003 1.00 0.00 C ATOM 1223 O LEU A 86 -1.292 17.273 0.907 1.00 0.00 O ATOM 1224 CB LEU A 86 -0.986 14.020 0.337 1.00 0.00 C ATOM 1225 CG LEU A 86 0.030 12.887 0.489 1.00 0.00 C ATOM 1226 CD1 LEU A 86 -0.445 11.880 1.525 1.00 0.00 C ATOM 1227 CD2 LEU A 86 0.271 12.204 -0.849 1.00 0.00 C ATOM 0 H LEU A 86 0.824 15.686 1.404 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.290 15.224 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.426 14.221 1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.792 13.674 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 86 0.973 13.314 0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.290 11.081 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.566 12.378 2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.400 11.459 1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.997 11.401 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.667 11.791 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.656 12.931 -1.564 1.00 0.00 H new ATOM 1239 N GLU A 87 -2.500 16.480 -0.818 1.00 0.00 N ATOM 1240 CA GLU A 87 -3.538 17.498 -0.702 1.00 0.00 C ATOM 1241 C GLU A 87 -4.440 17.221 0.498 1.00 0.00 C ATOM 1242 O GLU A 87 -4.554 16.083 0.954 1.00 0.00 O ATOM 1243 CB GLU A 87 -4.375 17.554 -1.981 1.00 0.00 C ATOM 1244 CG GLU A 87 -5.001 18.913 -2.240 1.00 0.00 C ATOM 1245 CD GLU A 87 -4.076 19.847 -2.997 1.00 0.00 C ATOM 1246 OE1 GLU A 87 -3.768 19.553 -4.171 1.00 0.00 O ATOM 1247 OE2 GLU A 87 -3.661 20.872 -2.416 1.00 0.00 O ATOM 0 H GLU A 87 -2.650 15.808 -1.571 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.051 18.462 -0.554 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.745 17.286 -2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.165 16.805 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.923 18.782 -2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.274 19.370 -1.289 1.00 0.00 H new ATOM 1254 N LYS A 88 -5.079 18.270 1.004 1.00 0.00 N ATOM 1255 CA LYS A 88 -5.972 18.142 2.150 1.00 0.00 C ATOM 1256 C LYS A 88 -7.380 17.762 1.702 1.00 0.00 C ATOM 1257 O LYS A 88 -7.833 18.172 0.634 1.00 0.00 O ATOM 1258 CB LYS A 88 -6.012 19.452 2.939 1.00 0.00 C ATOM 1259 CG LYS A 88 -4.644 20.077 3.151 1.00 0.00 C ATOM 1260 CD LYS A 88 -4.756 21.508 3.649 1.00 0.00 C ATOM 1261 CE LYS A 88 -3.419 22.230 3.575 1.00 0.00 C ATOM 1262 NZ LYS A 88 -3.583 23.709 3.639 1.00 0.00 N ATOM 0 H LYS A 88 -4.995 19.219 0.639 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.588 17.350 2.793 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.650 20.163 2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.472 19.268 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.079 19.484 3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -4.086 20.059 2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.494 22.045 3.053 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.115 21.509 4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.782 21.899 4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.912 21.961 2.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.650 24.164 3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.170 24.028 2.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.044 23.969 4.534 1.00 0.00 H new ATOM 1276 N TRP A 89 -8.066 16.979 2.526 1.00 0.00 N ATOM 1277 CA TRP A 89 -9.424 16.546 2.215 1.00 0.00 C ATOM 1278 C TRP A 89 -9.518 16.036 0.781 1.00 0.00 C ATOM 1279 O TRP A 89 -10.361 16.486 0.005 1.00 0.00 O ATOM 1280 CB TRP A 89 -10.409 17.697 2.426 1.00 0.00 C ATOM 1281 CG TRP A 89 -11.760 17.244 2.892 1.00 0.00 C ATOM 1282 CD1 TRP A 89 -12.034 16.468 3.981 1.00 0.00 C ATOM 1283 CD2 TRP A 89 -13.021 17.540 2.280 1.00 0.00 C ATOM 1284 NE1 TRP A 89 -13.389 16.262 4.084 1.00 0.00 N ATOM 1285 CE2 TRP A 89 -14.016 16.910 3.053 1.00 0.00 C ATOM 1286 CE3 TRP A 89 -13.406 18.276 1.157 1.00 0.00 C ATOM 1287 CZ2 TRP A 89 -15.369 16.995 2.735 1.00 0.00 C ATOM 1288 CZ3 TRP A 89 -14.749 18.359 0.843 1.00 0.00 C ATOM 1289 CH2 TRP A 89 -15.717 17.722 1.630 1.00 0.00 C ATOM 0 H TRP A 89 -7.705 16.631 3.414 1.00 0.00 H new ATOM 0 HA TRP A 89 -9.681 15.729 2.889 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -9.994 18.391 3.157 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -10.520 18.247 1.491 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -11.294 16.074 4.662 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -13.852 15.716 4.810 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -12.667 18.771 0.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -16.117 16.504 3.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -15.058 18.925 -0.024 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -16.759 17.807 1.359 1.00 0.00 H new ATOM 1300 N THR A 90 -8.646 15.094 0.435 1.00 0.00 N ATOM 1301 CA THR A 90 -8.630 14.524 -0.907 1.00 0.00 C ATOM 1302 C THR A 90 -8.191 13.065 -0.879 1.00 0.00 C ATOM 1303 O THR A 90 -7.196 12.719 -0.242 1.00 0.00 O ATOM 1304 CB THR A 90 -7.694 15.313 -1.841 1.00 0.00 C ATOM 1305 OG1 THR A 90 -8.141 16.668 -1.953 1.00 0.00 O ATOM 1306 CG2 THR A 90 -7.644 14.675 -3.221 1.00 0.00 C ATOM 0 H THR A 90 -7.942 14.710 1.065 1.00 0.00 H new ATOM 0 HA THR A 90 -9.649 14.586 -1.289 1.00 0.00 H new ATOM 0 HB THR A 90 -6.692 15.296 -1.413 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.953 17.145 -1.118 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.977 15.249 -3.863 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.275 13.653 -3.136 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.644 14.665 -3.654 1.00 0.00 H new ATOM 1314 N GLU A 91 -8.939 12.213 -1.573 1.00 0.00 N ATOM 1315 CA GLU A 91 -8.625 10.790 -1.626 1.00 0.00 C ATOM 1316 C GLU A 91 -7.345 10.544 -2.420 1.00 0.00 C ATOM 1317 O GLU A 91 -7.174 11.070 -3.521 1.00 0.00 O ATOM 1318 CB GLU A 91 -9.784 10.012 -2.254 1.00 0.00 C ATOM 1319 CG GLU A 91 -9.890 8.578 -1.764 1.00 0.00 C ATOM 1320 CD GLU A 91 -10.561 8.473 -0.407 1.00 0.00 C ATOM 1321 OE1 GLU A 91 -10.071 9.111 0.548 1.00 0.00 O ATOM 1322 OE2 GLU A 91 -11.575 7.752 -0.302 1.00 0.00 O ATOM 0 H GLU A 91 -9.766 12.483 -2.106 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.472 10.440 -0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.718 10.531 -2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.664 10.009 -3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.453 7.991 -2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.892 8.143 -1.706 1.00 0.00 H new ATOM 1329 N TYR A 92 -6.449 9.744 -1.854 1.00 0.00 N ATOM 1330 CA TYR A 92 -5.183 9.431 -2.506 1.00 0.00 C ATOM 1331 C TYR A 92 -4.987 7.922 -2.620 1.00 0.00 C ATOM 1332 O TYR A 92 -4.974 7.209 -1.617 1.00 0.00 O ATOM 1333 CB TYR A 92 -4.019 10.050 -1.731 1.00 0.00 C ATOM 1334 CG TYR A 92 -3.688 11.462 -2.160 1.00 0.00 C ATOM 1335 CD1 TYR A 92 -2.860 11.701 -3.250 1.00 0.00 C ATOM 1336 CD2 TYR A 92 -4.203 12.556 -1.476 1.00 0.00 C ATOM 1337 CE1 TYR A 92 -2.555 12.989 -3.646 1.00 0.00 C ATOM 1338 CE2 TYR A 92 -3.904 13.847 -1.865 1.00 0.00 C ATOM 1339 CZ TYR A 92 -3.079 14.059 -2.950 1.00 0.00 C ATOM 1340 OH TYR A 92 -2.778 15.343 -3.342 1.00 0.00 O ATOM 0 H TYR A 92 -6.576 9.300 -0.944 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.207 9.853 -3.511 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.260 10.049 -0.668 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -3.136 9.424 -1.858 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.448 10.866 -3.797 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -4.848 12.394 -0.625 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.910 13.157 -4.496 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -4.314 14.686 -1.323 1.00 0.00 H new ATOM 0 HH TYR A 92 -3.341 15.593 -4.105 1.00 0.00 H new ATOM 1350 N ARG A 93 -4.835 7.444 -3.851 1.00 0.00 N ATOM 1351 CA ARG A 93 -4.641 6.020 -4.098 1.00 0.00 C ATOM 1352 C ARG A 93 -3.171 5.638 -3.949 1.00 0.00 C ATOM 1353 O ARG A 93 -2.339 5.993 -4.784 1.00 0.00 O ATOM 1354 CB ARG A 93 -5.135 5.652 -5.498 1.00 0.00 C ATOM 1355 CG ARG A 93 -6.629 5.856 -5.690 1.00 0.00 C ATOM 1356 CD ARG A 93 -7.069 5.467 -7.092 1.00 0.00 C ATOM 1357 NE ARG A 93 -6.474 6.327 -8.111 1.00 0.00 N ATOM 1358 CZ ARG A 93 -6.581 6.104 -9.416 1.00 0.00 C ATOM 1359 NH1 ARG A 93 -7.258 5.052 -9.859 1.00 0.00 N ATOM 1360 NH2 ARG A 93 -6.012 6.933 -10.282 1.00 0.00 N ATOM 0 H ARG A 93 -4.842 8.021 -4.692 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.219 5.466 -3.359 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.598 6.251 -6.233 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.891 4.609 -5.698 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.175 5.261 -4.958 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.881 6.900 -5.505 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.791 4.431 -7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.155 5.523 -7.160 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.947 7.144 -7.804 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.698 4.413 -9.197 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -7.339 4.883 -10.862 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -5.491 7.743 -9.946 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -6.095 6.760 -11.284 1.00 0.00 H new ATOM 1374 N VAL A 94 -2.859 4.913 -2.880 1.00 0.00 N ATOM 1375 CA VAL A 94 -1.490 4.483 -2.621 1.00 0.00 C ATOM 1376 C VAL A 94 -1.268 3.047 -3.084 1.00 0.00 C ATOM 1377 O VAL A 94 -2.089 2.167 -2.825 1.00 0.00 O ATOM 1378 CB VAL A 94 -1.142 4.587 -1.124 1.00 0.00 C ATOM 1379 CG1 VAL A 94 0.279 4.107 -0.872 1.00 0.00 C ATOM 1380 CG2 VAL A 94 -1.326 6.015 -0.633 1.00 0.00 C ATOM 0 H VAL A 94 -3.536 4.611 -2.179 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.837 5.149 -3.185 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.822 3.944 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.507 4.188 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.373 3.067 -1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.977 4.722 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.076 6.071 0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.671 6.680 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.363 6.319 -0.777 1.00 0.00 H new ATOM 1390 N TRP A 95 -0.155 2.818 -3.770 1.00 0.00 N ATOM 1391 CA TRP A 95 0.175 1.488 -4.270 1.00 0.00 C ATOM 1392 C TRP A 95 1.565 1.063 -3.809 1.00 0.00 C ATOM 1393 O TRP A 95 2.570 1.646 -4.215 1.00 0.00 O ATOM 1394 CB TRP A 95 0.101 1.461 -5.797 1.00 0.00 C ATOM 1395 CG TRP A 95 -1.268 1.758 -6.330 1.00 0.00 C ATOM 1396 CD1 TRP A 95 -2.300 0.875 -6.476 1.00 0.00 C ATOM 1397 CD2 TRP A 95 -1.753 3.024 -6.791 1.00 0.00 C ATOM 1398 NE1 TRP A 95 -3.397 1.517 -6.999 1.00 0.00 N ATOM 1399 CE2 TRP A 95 -3.087 2.836 -7.200 1.00 0.00 C ATOM 1400 CE3 TRP A 95 -1.190 4.299 -6.895 1.00 0.00 C ATOM 1401 CZ2 TRP A 95 -3.864 3.875 -7.706 1.00 0.00 C ATOM 1402 CZ3 TRP A 95 -1.962 5.329 -7.398 1.00 0.00 C ATOM 1403 CH2 TRP A 95 -3.288 5.112 -7.797 1.00 0.00 C ATOM 0 H TRP A 95 0.535 3.536 -3.993 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.553 0.785 -3.866 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.806 2.188 -6.201 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.416 0.480 -6.152 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.260 -0.173 -6.218 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.296 1.082 -7.204 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.170 4.476 -6.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.885 3.710 -8.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.536 6.318 -7.485 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.866 5.938 -8.184 1.00 0.00 H new ATOM 1414 N VAL A 96 1.615 0.043 -2.958 1.00 0.00 N ATOM 1415 CA VAL A 96 2.882 -0.462 -2.443 1.00 0.00 C ATOM 1416 C VAL A 96 3.135 -1.891 -2.907 1.00 0.00 C ATOM 1417 O VAL A 96 2.262 -2.753 -2.801 1.00 0.00 O ATOM 1418 CB VAL A 96 2.919 -0.420 -0.903 1.00 0.00 C ATOM 1419 CG1 VAL A 96 1.721 -1.154 -0.320 1.00 0.00 C ATOM 1420 CG2 VAL A 96 4.221 -1.012 -0.386 1.00 0.00 C ATOM 0 H VAL A 96 0.792 -0.450 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 96 3.664 0.188 -2.836 1.00 0.00 H new ATOM 0 HB VAL A 96 2.867 0.621 -0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.764 -1.114 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.801 -0.681 -0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.738 -2.194 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.231 -0.974 0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.305 -2.048 -0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.062 -0.438 -0.776 1.00 0.00 H new ATOM 1430 N ARG A 97 4.335 -2.137 -3.423 1.00 0.00 N ATOM 1431 CA ARG A 97 4.702 -3.463 -3.905 1.00 0.00 C ATOM 1432 C ARG A 97 6.048 -3.896 -3.331 1.00 0.00 C ATOM 1433 O ARG A 97 6.791 -3.083 -2.781 1.00 0.00 O ATOM 1434 CB ARG A 97 4.760 -3.475 -5.434 1.00 0.00 C ATOM 1435 CG ARG A 97 5.672 -2.409 -6.017 1.00 0.00 C ATOM 1436 CD ARG A 97 5.190 -1.951 -7.385 1.00 0.00 C ATOM 1437 NE ARG A 97 6.164 -1.088 -8.048 1.00 0.00 N ATOM 1438 CZ ARG A 97 5.957 -0.520 -9.231 1.00 0.00 C ATOM 1439 NH1 ARG A 97 4.816 -0.721 -9.876 1.00 0.00 N ATOM 1440 NH2 ARG A 97 6.892 0.253 -9.770 1.00 0.00 N ATOM 0 H ARG A 97 5.069 -1.435 -3.518 1.00 0.00 H new ATOM 0 HA ARG A 97 3.940 -4.168 -3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 97 5.100 -4.455 -5.769 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.754 -3.335 -5.828 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.715 -1.555 -5.340 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.686 -2.801 -6.100 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.993 -2.822 -8.010 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.246 -1.416 -7.277 1.00 0.00 H new ATOM 0 HE ARG A 97 7.051 -0.912 -7.577 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.095 -1.313 -9.464 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.660 -0.284 -10.784 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.770 0.411 -9.276 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.732 0.689 -10.678 1.00 0.00 H new ATOM 1454 N ALA A 98 6.355 -5.183 -3.463 1.00 0.00 N ATOM 1455 CA ALA A 98 7.612 -5.724 -2.959 1.00 0.00 C ATOM 1456 C ALA A 98 8.562 -6.061 -4.103 1.00 0.00 C ATOM 1457 O ALA A 98 8.165 -6.679 -5.092 1.00 0.00 O ATOM 1458 CB ALA A 98 7.351 -6.956 -2.106 1.00 0.00 C ATOM 0 H ALA A 98 5.751 -5.870 -3.914 1.00 0.00 H new ATOM 0 HA ALA A 98 8.086 -4.962 -2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.298 -7.350 -1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.716 -6.686 -1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.852 -7.716 -2.707 1.00 0.00 H new ATOM 1464 N HIS A 99 9.819 -5.650 -3.963 1.00 0.00 N ATOM 1465 CA HIS A 99 10.826 -5.909 -4.985 1.00 0.00 C ATOM 1466 C HIS A 99 11.808 -6.980 -4.522 1.00 0.00 C ATOM 1467 O HIS A 99 12.425 -6.856 -3.463 1.00 0.00 O ATOM 1468 CB HIS A 99 11.579 -4.623 -5.326 1.00 0.00 C ATOM 1469 CG HIS A 99 10.748 -3.619 -6.064 1.00 0.00 C ATOM 1470 ND1 HIS A 99 9.662 -2.982 -5.501 1.00 0.00 N ATOM 1471 CD2 HIS A 99 10.849 -3.142 -7.326 1.00 0.00 C ATOM 1472 CE1 HIS A 99 9.130 -2.158 -6.386 1.00 0.00 C ATOM 1473 NE2 HIS A 99 9.832 -2.236 -7.502 1.00 0.00 N ATOM 0 H HIS A 99 10.164 -5.137 -3.152 1.00 0.00 H new ATOM 0 HA HIS A 99 10.317 -6.271 -5.878 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.946 -4.171 -4.404 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.453 -4.872 -5.928 1.00 0.00 H new ATOM 0 HD2 HIS A 99 11.591 -3.422 -8.059 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.268 -1.528 -6.224 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.649 -1.709 -8.356 1.00 0.00 H new ATOM 1482 N THR A 100 11.949 -8.033 -5.321 1.00 0.00 N ATOM 1483 CA THR A 100 12.854 -9.127 -4.991 1.00 0.00 C ATOM 1484 C THR A 100 14.101 -9.091 -5.867 1.00 0.00 C ATOM 1485 O THR A 100 14.086 -8.529 -6.963 1.00 0.00 O ATOM 1486 CB THR A 100 12.165 -10.495 -5.154 1.00 0.00 C ATOM 1487 OG1 THR A 100 11.257 -10.457 -6.260 1.00 0.00 O ATOM 1488 CG2 THR A 100 11.415 -10.877 -3.887 1.00 0.00 C ATOM 0 H THR A 100 11.448 -8.151 -6.201 1.00 0.00 H new ATOM 0 HA THR A 100 13.142 -8.996 -3.948 1.00 0.00 H new ATOM 0 HB THR A 100 12.934 -11.245 -5.342 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.824 -11.331 -6.358 1.00 0.00 H new ATOM 0 HG21 THR A 100 10.937 -11.846 -4.026 1.00 0.00 H new ATOM 0 HG22 THR A 100 12.115 -10.934 -3.053 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.656 -10.125 -3.673 1.00 0.00 H new ATOM 1496 N ASP A 101 15.179 -9.694 -5.379 1.00 0.00 N ATOM 1497 CA ASP A 101 16.435 -9.733 -6.119 1.00 0.00 C ATOM 1498 C ASP A 101 16.225 -10.309 -7.516 1.00 0.00 C ATOM 1499 O ASP A 101 17.024 -10.073 -8.423 1.00 0.00 O ATOM 1500 CB ASP A 101 17.472 -10.564 -5.362 1.00 0.00 C ATOM 1501 CG ASP A 101 18.795 -10.650 -6.099 1.00 0.00 C ATOM 1502 OD1 ASP A 101 19.495 -9.619 -6.184 1.00 0.00 O ATOM 1503 OD2 ASP A 101 19.130 -11.748 -6.589 1.00 0.00 O ATOM 0 H ASP A 101 15.209 -10.163 -4.474 1.00 0.00 H new ATOM 0 HA ASP A 101 16.802 -8.711 -6.218 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.636 -10.126 -4.377 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.082 -11.569 -5.203 1.00 0.00 H new ATOM 1508 N VAL A 102 15.145 -11.065 -7.683 1.00 0.00 N ATOM 1509 CA VAL A 102 14.829 -11.675 -8.969 1.00 0.00 C ATOM 1510 C VAL A 102 14.231 -10.653 -9.929 1.00 0.00 C ATOM 1511 O VAL A 102 14.433 -10.731 -11.140 1.00 0.00 O ATOM 1512 CB VAL A 102 13.845 -12.849 -8.808 1.00 0.00 C ATOM 1513 CG1 VAL A 102 14.438 -13.923 -7.909 1.00 0.00 C ATOM 1514 CG2 VAL A 102 12.515 -12.356 -8.258 1.00 0.00 C ATOM 0 H VAL A 102 14.473 -11.270 -6.943 1.00 0.00 H new ATOM 0 HA VAL A 102 15.766 -12.051 -9.380 1.00 0.00 H new ATOM 0 HB VAL A 102 13.666 -13.289 -9.789 1.00 0.00 H new ATOM 0 HG11 VAL A 102 13.729 -14.744 -7.807 1.00 0.00 H new ATOM 0 HG12 VAL A 102 15.363 -14.295 -8.349 1.00 0.00 H new ATOM 0 HG13 VAL A 102 14.647 -13.500 -6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.831 -13.198 -8.150 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.674 -11.891 -7.285 1.00 0.00 H new ATOM 0 HG23 VAL A 102 12.086 -11.626 -8.944 1.00 0.00 H new ATOM 1524 N GLY A 103 13.493 -9.693 -9.380 1.00 0.00 N ATOM 1525 CA GLY A 103 12.877 -8.668 -10.202 1.00 0.00 C ATOM 1526 C GLY A 103 11.730 -7.972 -9.497 1.00 0.00 C ATOM 1527 O GLY A 103 11.271 -8.402 -8.439 1.00 0.00 O ATOM 0 H GLY A 103 13.311 -9.607 -8.380 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.629 -7.930 -10.482 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.513 -9.118 -11.126 1.00 0.00 H new ATOM 1531 N PRO A 104 11.250 -6.868 -10.088 1.00 0.00 N ATOM 1532 CA PRO A 104 10.144 -6.086 -9.527 1.00 0.00 C ATOM 1533 C PRO A 104 8.813 -6.825 -9.605 1.00 0.00 C ATOM 1534 O PRO A 104 8.708 -7.867 -10.252 1.00 0.00 O ATOM 1535 CB PRO A 104 10.113 -4.833 -10.406 1.00 0.00 C ATOM 1536 CG PRO A 104 10.715 -5.263 -11.699 1.00 0.00 C ATOM 1537 CD PRO A 104 11.749 -6.298 -11.351 1.00 0.00 C ATOM 0 HA PRO A 104 10.290 -5.876 -8.467 1.00 0.00 H new ATOM 0 HB2 PRO A 104 9.094 -4.472 -10.544 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.681 -4.019 -9.956 1.00 0.00 H new ATOM 0 HG2 PRO A 104 9.957 -5.677 -12.364 1.00 0.00 H new ATOM 0 HG3 PRO A 104 11.168 -4.419 -12.219 1.00 0.00 H new ATOM 0 HD2 PRO A 104 11.835 -7.057 -12.128 1.00 0.00 H new ATOM 0 HD3 PRO A 104 12.737 -5.854 -11.229 1.00 0.00 H new ATOM 1545 N GLY A 105 7.798 -6.279 -8.943 1.00 0.00 N ATOM 1546 CA GLY A 105 6.486 -6.900 -8.952 1.00 0.00 C ATOM 1547 C GLY A 105 5.367 -5.891 -9.117 1.00 0.00 C ATOM 1548 O GLY A 105 5.575 -4.681 -9.024 1.00 0.00 O ATOM 0 H GLY A 105 7.861 -5.418 -8.400 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.437 -7.627 -9.762 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.341 -7.449 -8.022 1.00 0.00 H new ATOM 1552 N PRO A 106 4.148 -6.390 -9.369 1.00 0.00 N ATOM 1553 CA PRO A 106 2.968 -5.540 -9.555 1.00 0.00 C ATOM 1554 C PRO A 106 2.531 -4.865 -8.259 1.00 0.00 C ATOM 1555 O PRO A 106 2.985 -5.230 -7.175 1.00 0.00 O ATOM 1556 CB PRO A 106 1.896 -6.521 -10.035 1.00 0.00 C ATOM 1557 CG PRO A 106 2.324 -7.843 -9.496 1.00 0.00 C ATOM 1558 CD PRO A 106 3.827 -7.822 -9.494 1.00 0.00 C ATOM 0 HA PRO A 106 3.159 -4.723 -10.251 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.910 -6.243 -9.664 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.834 -6.538 -11.123 1.00 0.00 H new ATOM 0 HG2 PRO A 106 1.935 -7.999 -8.490 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.946 -8.657 -10.114 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.236 -8.399 -8.665 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.236 -8.247 -10.411 1.00 0.00 H new ATOM 1566 N GLU A 107 1.647 -3.879 -8.379 1.00 0.00 N ATOM 1567 CA GLU A 107 1.150 -3.154 -7.216 1.00 0.00 C ATOM 1568 C GLU A 107 0.247 -4.043 -6.365 1.00 0.00 C ATOM 1569 O GLU A 107 0.047 -5.218 -6.673 1.00 0.00 O ATOM 1570 CB GLU A 107 0.384 -1.904 -7.656 1.00 0.00 C ATOM 1571 CG GLU A 107 -0.702 -2.185 -8.680 1.00 0.00 C ATOM 1572 CD GLU A 107 -1.738 -3.171 -8.177 1.00 0.00 C ATOM 1573 OE1 GLU A 107 -2.692 -2.736 -7.498 1.00 0.00 O ATOM 1574 OE2 GLU A 107 -1.595 -4.379 -8.463 1.00 0.00 O ATOM 0 H GLU A 107 1.261 -3.565 -9.269 1.00 0.00 H new ATOM 0 HA GLU A 107 2.007 -2.854 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.066 -1.437 -6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.088 -1.185 -8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.195 -1.250 -8.947 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.246 -2.576 -9.590 1.00 0.00 H new ATOM 1581 N SER A 108 -0.294 -3.474 -5.293 1.00 0.00 N ATOM 1582 CA SER A 108 -1.171 -4.215 -4.395 1.00 0.00 C ATOM 1583 C SER A 108 -2.514 -3.507 -4.241 1.00 0.00 C ATOM 1584 O SER A 108 -2.768 -2.487 -4.881 1.00 0.00 O ATOM 1585 CB SER A 108 -0.510 -4.381 -3.025 1.00 0.00 C ATOM 1586 OG SER A 108 -0.207 -3.123 -2.449 1.00 0.00 O ATOM 0 H SER A 108 -0.140 -2.502 -5.025 1.00 0.00 H new ATOM 0 HA SER A 108 -1.346 -5.200 -4.828 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.173 -4.937 -2.363 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.403 -4.967 -3.127 1.00 0.00 H new ATOM 0 HG SER A 108 0.762 -3.043 -2.328 1.00 0.00 H new ATOM 1592 N SER A 109 -3.372 -4.058 -3.388 1.00 0.00 N ATOM 1593 CA SER A 109 -4.691 -3.483 -3.152 1.00 0.00 C ATOM 1594 C SER A 109 -4.576 -2.054 -2.631 1.00 0.00 C ATOM 1595 O SER A 109 -4.153 -1.810 -1.501 1.00 0.00 O ATOM 1596 CB SER A 109 -5.473 -4.340 -2.154 1.00 0.00 C ATOM 1597 OG SER A 109 -6.793 -3.853 -1.989 1.00 0.00 O ATOM 0 H SER A 109 -3.177 -4.902 -2.849 1.00 0.00 H new ATOM 0 HA SER A 109 -5.226 -3.463 -4.101 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.504 -5.372 -2.502 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.960 -4.343 -1.192 1.00 0.00 H new ATOM 0 HG SER A 109 -7.272 -4.418 -1.348 1.00 0.00 H new ATOM 1603 N PRO A 110 -4.961 -1.085 -3.475 1.00 0.00 N ATOM 1604 CA PRO A 110 -4.911 0.337 -3.123 1.00 0.00 C ATOM 1605 C PRO A 110 -5.946 0.710 -2.068 1.00 0.00 C ATOM 1606 O PRO A 110 -7.107 0.309 -2.153 1.00 0.00 O ATOM 1607 CB PRO A 110 -5.220 1.041 -4.447 1.00 0.00 C ATOM 1608 CG PRO A 110 -6.007 0.048 -5.230 1.00 0.00 C ATOM 1609 CD PRO A 110 -5.475 -1.303 -4.838 1.00 0.00 C ATOM 0 HA PRO A 110 -3.950 0.616 -2.690 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.788 1.957 -4.285 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.305 1.321 -4.969 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.071 0.129 -5.006 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.893 0.217 -6.301 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.256 -2.063 -4.856 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.689 -1.637 -5.515 1.00 0.00 H new ATOM 1617 N VAL A 111 -5.519 1.480 -1.072 1.00 0.00 N ATOM 1618 CA VAL A 111 -6.409 1.908 0.000 1.00 0.00 C ATOM 1619 C VAL A 111 -6.785 3.377 -0.152 1.00 0.00 C ATOM 1620 O VAL A 111 -5.917 4.247 -0.230 1.00 0.00 O ATOM 1621 CB VAL A 111 -5.766 1.695 1.383 1.00 0.00 C ATOM 1622 CG1 VAL A 111 -6.733 2.090 2.489 1.00 0.00 C ATOM 1623 CG2 VAL A 111 -5.320 0.249 1.546 1.00 0.00 C ATOM 0 H VAL A 111 -4.561 1.820 -0.986 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.308 1.296 -0.072 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.886 2.334 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.261 1.932 3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -6.999 3.142 2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.633 1.479 2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.868 0.116 2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.183 -0.411 1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.590 0.004 0.775 1.00 0.00 H new ATOM 1633 N LEU A 112 -8.085 3.648 -0.193 1.00 0.00 N ATOM 1634 CA LEU A 112 -8.578 5.014 -0.335 1.00 0.00 C ATOM 1635 C LEU A 112 -8.687 5.698 1.024 1.00 0.00 C ATOM 1636 O LEU A 112 -9.485 5.295 1.871 1.00 0.00 O ATOM 1637 CB LEU A 112 -9.941 5.016 -1.031 1.00 0.00 C ATOM 1638 CG LEU A 112 -10.028 4.227 -2.338 1.00 0.00 C ATOM 1639 CD1 LEU A 112 -11.472 4.126 -2.805 1.00 0.00 C ATOM 1640 CD2 LEU A 112 -9.163 4.874 -3.410 1.00 0.00 C ATOM 0 H LEU A 112 -8.817 2.940 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.865 5.570 -0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.681 4.615 -0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.221 6.050 -1.234 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.655 3.219 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.515 3.561 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.065 3.618 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.872 5.127 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.237 4.299 -4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.506 5.893 -3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.125 4.894 -3.077 1.00 0.00 H new ATOM 1652 N VAL A 113 -7.882 6.736 1.225 1.00 0.00 N ATOM 1653 CA VAL A 113 -7.890 7.478 2.480 1.00 0.00 C ATOM 1654 C VAL A 113 -8.172 8.957 2.241 1.00 0.00 C ATOM 1655 O VAL A 113 -7.544 9.591 1.392 1.00 0.00 O ATOM 1656 CB VAL A 113 -6.549 7.336 3.225 1.00 0.00 C ATOM 1657 CG1 VAL A 113 -6.310 5.888 3.622 1.00 0.00 C ATOM 1658 CG2 VAL A 113 -5.406 7.858 2.368 1.00 0.00 C ATOM 0 H VAL A 113 -7.216 7.082 0.535 1.00 0.00 H new ATOM 0 HA VAL A 113 -8.684 7.054 3.094 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.593 7.935 4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.358 5.807 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.115 5.552 4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.285 5.265 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.466 7.750 2.910 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.357 7.288 1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.574 8.910 2.139 1.00 0.00 H new ATOM 1668 N ARG A 114 -9.120 9.503 2.996 1.00 0.00 N ATOM 1669 CA ARG A 114 -9.487 10.908 2.866 1.00 0.00 C ATOM 1670 C ARG A 114 -8.745 11.760 3.892 1.00 0.00 C ATOM 1671 O ARG A 114 -9.084 11.761 5.076 1.00 0.00 O ATOM 1672 CB ARG A 114 -10.997 11.081 3.039 1.00 0.00 C ATOM 1673 CG ARG A 114 -11.436 12.533 3.134 1.00 0.00 C ATOM 1674 CD ARG A 114 -12.835 12.655 3.717 1.00 0.00 C ATOM 1675 NE ARG A 114 -13.864 12.266 2.757 1.00 0.00 N ATOM 1676 CZ ARG A 114 -15.092 11.898 3.104 1.00 0.00 C ATOM 1677 NH1 ARG A 114 -15.442 11.868 4.383 1.00 0.00 N ATOM 1678 NH2 ARG A 114 -15.973 11.558 2.172 1.00 0.00 N ATOM 0 H ARG A 114 -9.648 8.993 3.704 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.203 11.242 1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.507 10.610 2.198 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -11.314 10.555 3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.732 13.087 3.755 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -11.413 12.987 2.143 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.913 12.029 4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -13.007 13.683 4.035 1.00 0.00 H new ATOM 0 HE ARG A 114 -13.627 12.278 1.765 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -14.767 12.128 5.103 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -16.386 11.585 4.647 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -15.708 11.579 1.187 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -16.916 11.276 2.440 1.00 0.00 H new ATOM 1692 N THR A 115 -7.731 12.484 3.430 1.00 0.00 N ATOM 1693 CA THR A 115 -6.940 13.339 4.307 1.00 0.00 C ATOM 1694 C THR A 115 -7.832 14.286 5.102 1.00 0.00 C ATOM 1695 O THR A 115 -8.935 14.624 4.671 1.00 0.00 O ATOM 1696 CB THR A 115 -5.914 14.166 3.510 1.00 0.00 C ATOM 1697 OG1 THR A 115 -6.436 14.474 2.212 1.00 0.00 O ATOM 1698 CG2 THR A 115 -4.602 13.410 3.368 1.00 0.00 C ATOM 0 H THR A 115 -7.438 12.496 2.453 1.00 0.00 H new ATOM 0 HA THR A 115 -6.409 12.681 4.995 1.00 0.00 H new ATOM 0 HB THR A 115 -5.724 15.091 4.054 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.801 15.045 1.731 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.893 14.014 2.802 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.193 13.202 4.357 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.778 12.471 2.844 1.00 0.00 H new ATOM 1706 N ASP A 116 -7.348 14.711 6.264 1.00 0.00 N ATOM 1707 CA ASP A 116 -8.102 15.622 7.119 1.00 0.00 C ATOM 1708 C ASP A 116 -8.369 16.942 6.403 1.00 0.00 C ATOM 1709 O ASP A 116 -7.595 17.361 5.544 1.00 0.00 O ATOM 1710 CB ASP A 116 -7.342 15.878 8.421 1.00 0.00 C ATOM 1711 CG ASP A 116 -7.575 14.789 9.451 1.00 0.00 C ATOM 1712 OD1 ASP A 116 -7.222 13.625 9.172 1.00 0.00 O ATOM 1713 OD2 ASP A 116 -8.112 15.102 10.535 1.00 0.00 O ATOM 0 H ASP A 116 -6.438 14.440 6.636 1.00 0.00 H new ATOM 0 HA ASP A 116 -9.059 15.156 7.352 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.276 15.950 8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.650 16.838 8.835 1.00 0.00 H new ATOM 1718 N GLU A 117 -9.472 17.592 6.764 1.00 0.00 N ATOM 1719 CA GLU A 117 -9.842 18.864 6.154 1.00 0.00 C ATOM 1720 C GLU A 117 -8.980 19.999 6.699 1.00 0.00 C ATOM 1721 O GLU A 117 -8.578 19.985 7.862 1.00 0.00 O ATOM 1722 CB GLU A 117 -11.320 19.165 6.407 1.00 0.00 C ATOM 1723 CG GLU A 117 -11.972 19.983 5.306 1.00 0.00 C ATOM 1724 CD GLU A 117 -13.159 20.787 5.800 1.00 0.00 C ATOM 1725 OE1 GLU A 117 -14.239 20.193 5.996 1.00 0.00 O ATOM 1726 OE2 GLU A 117 -13.006 22.012 5.992 1.00 0.00 O ATOM 0 H GLU A 117 -10.124 17.259 7.475 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.673 18.786 5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.860 18.224 6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.416 19.701 7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.234 20.660 4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.297 19.316 4.507 1.00 0.00 H new