USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 748 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 47 LYS NZ :NH3+ 156:sc= 1.12 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.959 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 1.25 (180deg=1.2) USER MOD Single : A 30 MET CE :methyl 146:sc= -0.465 (180deg=-1.11) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 45 MET CE :methyl -173:sc= -0.147 (180deg=-0.233) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= 1.32 (180deg=1.24) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 158:sc= 1.31 (180deg=0.688) USER MOD Single : A 68 MET CE :methyl -174:sc= -0.334 (180deg=-0.392) USER MOD Single : A 74 CYS SG : rot 79:sc= 0.349 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 171:sc= -0.0339 (180deg=-0.0406) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 155:sc= 0.88 (180deg=0.255) USER MOD Single : A 98 SER OG : rot 132:sc= 1.95 USER MOD Single : A 109 THR OG1 : rot 122:sc= 1.29 USER MOD Single : A 110 GLN : amide:sc= 0.254 X(o=0.25,f=-0.15) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 217 N ILE A 14 -5.975 8.578 -3.828 1.00 0.00 N ATOM 218 CA ILE A 14 -5.666 8.379 -5.236 1.00 0.00 C ATOM 219 C ILE A 14 -6.708 7.427 -5.823 1.00 0.00 C ATOM 220 O ILE A 14 -7.381 7.770 -6.799 1.00 0.00 O ATOM 221 CB ILE A 14 -4.202 7.883 -5.361 1.00 0.00 C ATOM 222 CG1 ILE A 14 -3.224 9.039 -5.045 1.00 0.00 C ATOM 223 CG2 ILE A 14 -3.901 7.291 -6.749 1.00 0.00 C ATOM 224 CD1 ILE A 14 -1.811 8.586 -4.649 1.00 0.00 C ATOM 0 HA ILE A 14 -5.723 9.302 -5.812 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.065 7.081 -4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.153 9.687 -5.918 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.640 9.639 -4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.864 6.958 -6.785 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.561 6.443 -6.934 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.065 8.052 -7.512 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.192 9.460 -4.445 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.865 7.964 -3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.371 8.012 -5.465 1.00 0.00 H new ATOM 236 N GLU A 15 -6.880 6.263 -5.196 1.00 0.00 N ATOM 237 CA GLU A 15 -7.759 5.214 -5.681 1.00 0.00 C ATOM 238 C GLU A 15 -9.222 5.676 -5.755 1.00 0.00 C ATOM 239 O GLU A 15 -9.927 5.285 -6.684 1.00 0.00 O ATOM 240 CB GLU A 15 -7.592 3.994 -4.758 1.00 0.00 C ATOM 241 CG GLU A 15 -8.560 2.853 -5.088 1.00 0.00 C ATOM 242 CD GLU A 15 -8.234 1.582 -4.284 1.00 0.00 C ATOM 243 OE1 GLU A 15 -8.776 1.402 -3.170 1.00 0.00 O ATOM 244 OE2 GLU A 15 -7.449 0.734 -4.768 1.00 0.00 O ATOM 0 H GLU A 15 -6.404 6.025 -4.326 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.484 4.948 -6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.568 3.627 -4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.745 4.304 -3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.581 3.168 -4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.512 2.632 -6.154 1.00 0.00 H new ATOM 251 N THR A 16 -9.679 6.502 -4.809 1.00 0.00 N ATOM 252 CA THR A 16 -11.099 6.830 -4.658 1.00 0.00 C ATOM 253 C THR A 16 -11.483 8.209 -5.224 1.00 0.00 C ATOM 254 O THR A 16 -12.673 8.471 -5.404 1.00 0.00 O ATOM 255 CB THR A 16 -11.522 6.660 -3.184 1.00 0.00 C ATOM 256 OG1 THR A 16 -10.741 7.446 -2.305 1.00 0.00 O ATOM 257 CG2 THR A 16 -11.434 5.197 -2.732 1.00 0.00 C ATOM 0 H THR A 16 -9.075 6.961 -4.127 1.00 0.00 H new ATOM 0 HA THR A 16 -11.660 6.122 -5.268 1.00 0.00 H new ATOM 0 HB THR A 16 -12.557 6.997 -3.138 1.00 0.00 H new ATOM 0 HG1 THR A 16 -11.046 7.307 -1.384 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.740 5.119 -1.689 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.092 4.585 -3.349 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.408 4.845 -2.836 1.00 0.00 H new ATOM 265 N GLU A 17 -10.512 9.072 -5.549 1.00 0.00 N ATOM 266 CA GLU A 17 -10.778 10.459 -5.946 1.00 0.00 C ATOM 267 C GLU A 17 -10.001 10.899 -7.194 1.00 0.00 C ATOM 268 O GLU A 17 -10.361 11.923 -7.777 1.00 0.00 O ATOM 269 CB GLU A 17 -10.477 11.430 -4.784 1.00 0.00 C ATOM 270 CG GLU A 17 -11.259 11.173 -3.484 1.00 0.00 C ATOM 271 CD GLU A 17 -12.792 11.294 -3.623 1.00 0.00 C ATOM 272 OE1 GLU A 17 -13.292 12.085 -4.456 1.00 0.00 O ATOM 273 OE2 GLU A 17 -13.523 10.647 -2.839 1.00 0.00 O ATOM 0 H GLU A 17 -9.522 8.828 -5.544 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.838 10.495 -6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.411 11.382 -4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.688 12.446 -5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.018 10.174 -3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.919 11.878 -2.725 1.00 0.00 H new ATOM 280 N ILE A 18 -8.975 10.156 -7.638 1.00 0.00 N ATOM 281 CA ILE A 18 -8.074 10.621 -8.701 1.00 0.00 C ATOM 282 C ILE A 18 -8.107 9.642 -9.878 1.00 0.00 C ATOM 283 O ILE A 18 -8.311 10.074 -11.011 1.00 0.00 O ATOM 284 CB ILE A 18 -6.648 10.873 -8.145 1.00 0.00 C ATOM 285 CG1 ILE A 18 -6.700 11.802 -6.904 1.00 0.00 C ATOM 286 CG2 ILE A 18 -5.745 11.466 -9.240 1.00 0.00 C ATOM 287 CD1 ILE A 18 -5.340 12.237 -6.346 1.00 0.00 C ATOM 0 H ILE A 18 -8.750 9.230 -7.276 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.419 11.583 -9.081 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.224 9.919 -7.831 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.268 12.695 -7.164 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.251 11.292 -6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.747 11.638 -8.836 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.683 10.770 -10.077 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.164 12.411 -9.585 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.491 12.883 -5.481 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.771 11.357 -6.046 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.789 12.781 -7.113 1.00 0.00 H new ATOM 299 N ILE A 19 -7.995 8.334 -9.628 1.00 0.00 N ATOM 300 CA ILE A 19 -8.011 7.303 -10.672 1.00 0.00 C ATOM 301 C ILE A 19 -9.217 6.362 -10.523 1.00 0.00 C ATOM 302 O ILE A 19 -9.267 5.310 -11.156 1.00 0.00 O ATOM 303 CB ILE A 19 -6.653 6.593 -10.750 1.00 0.00 C ATOM 304 CG1 ILE A 19 -6.317 5.924 -9.408 1.00 0.00 C ATOM 305 CG2 ILE A 19 -5.564 7.586 -11.207 1.00 0.00 C ATOM 306 CD1 ILE A 19 -5.090 5.043 -9.531 1.00 0.00 C ATOM 0 H ILE A 19 -7.890 7.957 -8.686 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.153 7.780 -11.642 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.700 5.798 -11.494 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.146 6.688 -8.650 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.165 5.327 -9.073 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.603 7.074 -11.260 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.820 7.979 -12.191 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.498 8.408 -10.494 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.875 4.582 -8.567 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.273 4.265 -10.272 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.238 5.647 -9.842 1.00 0.00 H new ATOM 318 N VAL A 20 -10.209 6.745 -9.714 1.00 0.00 N ATOM 319 CA VAL A 20 -11.439 5.982 -9.500 1.00 0.00 C ATOM 320 C VAL A 20 -12.168 5.679 -10.821 1.00 0.00 C ATOM 321 O VAL A 20 -12.745 4.602 -10.977 1.00 0.00 O ATOM 322 CB VAL A 20 -12.308 6.734 -8.468 1.00 0.00 C ATOM 323 CG1 VAL A 20 -12.858 8.081 -8.969 1.00 0.00 C ATOM 324 CG2 VAL A 20 -13.451 5.867 -7.927 1.00 0.00 C ATOM 0 H VAL A 20 -10.177 7.613 -9.179 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.202 4.999 -9.092 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.621 6.959 -7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -13.457 8.544 -8.185 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.029 8.739 -9.228 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -13.479 7.916 -9.850 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.033 6.441 -7.205 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.096 5.560 -8.750 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -13.038 4.983 -7.440 1.00 0.00 H new ATOM 334 N ASP A 21 -12.117 6.606 -11.786 1.00 0.00 N ATOM 335 CA ASP A 21 -12.781 6.472 -13.086 1.00 0.00 C ATOM 336 C ASP A 21 -11.896 5.751 -14.116 1.00 0.00 C ATOM 337 O ASP A 21 -12.363 5.400 -15.202 1.00 0.00 O ATOM 338 CB ASP A 21 -13.156 7.873 -13.591 1.00 0.00 C ATOM 339 CG ASP A 21 -13.964 7.833 -14.900 1.00 0.00 C ATOM 340 OD1 ASP A 21 -15.098 7.303 -14.901 1.00 0.00 O ATOM 341 OD2 ASP A 21 -13.500 8.390 -15.921 1.00 0.00 O ATOM 0 H ASP A 21 -11.605 7.482 -11.683 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.675 5.862 -12.958 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.737 8.388 -12.826 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.247 8.454 -13.747 1.00 0.00 H new ATOM 346 N ALA A 22 -10.614 5.536 -13.797 1.00 0.00 N ATOM 347 CA ALA A 22 -9.645 4.935 -14.704 1.00 0.00 C ATOM 348 C ALA A 22 -9.806 3.408 -14.770 1.00 0.00 C ATOM 349 O ALA A 22 -10.580 2.811 -14.017 1.00 0.00 O ATOM 350 CB ALA A 22 -8.226 5.320 -14.267 1.00 0.00 C ATOM 0 H ALA A 22 -10.221 5.780 -12.888 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.825 5.318 -15.708 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.502 4.870 -14.946 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.120 6.405 -14.290 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.047 4.959 -13.254 1.00 0.00 H new ATOM 356 N GLU A 23 -9.031 2.771 -15.654 1.00 0.00 N ATOM 357 CA GLU A 23 -9.003 1.320 -15.823 1.00 0.00 C ATOM 358 C GLU A 23 -7.601 0.875 -16.252 1.00 0.00 C ATOM 359 O GLU A 23 -7.050 -0.059 -15.669 1.00 0.00 O ATOM 360 CB GLU A 23 -10.069 0.911 -16.855 1.00 0.00 C ATOM 361 CG GLU A 23 -10.180 -0.613 -17.012 1.00 0.00 C ATOM 362 CD GLU A 23 -11.325 -1.002 -17.963 1.00 0.00 C ATOM 363 OE1 GLU A 23 -11.103 -1.091 -19.192 1.00 0.00 O ATOM 364 OE2 GLU A 23 -12.460 -1.247 -17.491 1.00 0.00 O ATOM 0 H GLU A 23 -8.395 3.262 -16.282 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.233 0.826 -14.879 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.036 1.313 -16.553 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.826 1.356 -17.820 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.239 -1.010 -17.393 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.346 -1.069 -16.036 1.00 0.00 H new ATOM 371 N ASP A 24 -6.978 1.589 -17.194 1.00 0.00 N ATOM 372 CA ASP A 24 -5.653 1.277 -17.740 1.00 0.00 C ATOM 373 C ASP A 24 -4.789 2.534 -17.678 1.00 0.00 C ATOM 374 O ASP A 24 -5.282 3.627 -17.401 1.00 0.00 O ATOM 375 CB ASP A 24 -5.784 0.751 -19.181 1.00 0.00 C ATOM 376 CG ASP A 24 -4.543 0.026 -19.739 1.00 0.00 C ATOM 377 OD1 ASP A 24 -3.525 -0.130 -19.027 1.00 0.00 O ATOM 378 OD2 ASP A 24 -4.581 -0.388 -20.919 1.00 0.00 O ATOM 0 H ASP A 24 -7.393 2.423 -17.610 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.177 0.494 -17.150 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.632 0.068 -19.224 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.018 1.591 -19.836 1.00 0.00 H new ATOM 383 N LYS A 25 -3.498 2.382 -17.935 1.00 0.00 N ATOM 384 CA LYS A 25 -2.457 3.386 -17.727 1.00 0.00 C ATOM 385 C LYS A 25 -2.751 4.746 -18.354 1.00 0.00 C ATOM 386 O LYS A 25 -2.481 5.767 -17.724 1.00 0.00 O ATOM 387 CB LYS A 25 -1.100 2.815 -18.173 1.00 0.00 C ATOM 388 CG LYS A 25 -1.026 2.419 -19.662 1.00 0.00 C ATOM 389 CD LYS A 25 0.188 1.532 -19.976 1.00 0.00 C ATOM 390 CE LYS A 25 0.157 0.161 -19.276 1.00 0.00 C ATOM 391 NZ LYS A 25 -0.915 -0.738 -19.775 1.00 0.00 N ATOM 0 H LYS A 25 -3.126 1.511 -18.314 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.428 3.598 -16.658 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.325 3.554 -17.969 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.873 1.939 -17.566 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.939 1.892 -19.940 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.980 3.321 -20.272 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.244 1.378 -21.054 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.096 2.059 -19.682 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.122 -0.328 -19.411 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.023 0.312 -18.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.711 -1.716 -19.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.829 -0.443 -19.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.957 -0.685 -20.813 1.00 0.00 H new ATOM 405 N GLU A 26 -3.332 4.775 -19.554 1.00 0.00 N ATOM 406 CA GLU A 26 -3.658 6.032 -20.222 1.00 0.00 C ATOM 407 C GLU A 26 -4.764 6.746 -19.441 1.00 0.00 C ATOM 408 O GLU A 26 -4.686 7.947 -19.191 1.00 0.00 O ATOM 409 CB GLU A 26 -4.096 5.770 -21.673 1.00 0.00 C ATOM 410 CG GLU A 26 -2.977 5.152 -22.526 1.00 0.00 C ATOM 411 CD GLU A 26 -3.418 4.972 -23.990 1.00 0.00 C ATOM 412 OE1 GLU A 26 -3.961 3.900 -24.342 1.00 0.00 O ATOM 413 OE2 GLU A 26 -3.207 5.891 -24.814 1.00 0.00 O ATOM 0 H GLU A 26 -3.586 3.940 -20.082 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.774 6.669 -20.249 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.958 5.103 -21.673 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.418 6.708 -22.126 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.094 5.790 -22.487 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.692 4.186 -22.109 1.00 0.00 H new ATOM 420 N GLU A 27 -5.770 5.993 -18.990 1.00 0.00 N ATOM 421 CA GLU A 27 -6.881 6.529 -18.216 1.00 0.00 C ATOM 422 C GLU A 27 -6.402 6.962 -16.827 1.00 0.00 C ATOM 423 O GLU A 27 -6.902 7.946 -16.289 1.00 0.00 O ATOM 424 CB GLU A 27 -8.010 5.491 -18.102 1.00 0.00 C ATOM 425 CG GLU A 27 -8.476 4.896 -19.441 1.00 0.00 C ATOM 426 CD GLU A 27 -8.935 5.962 -20.454 1.00 0.00 C ATOM 427 OE1 GLU A 27 -9.853 6.754 -20.142 1.00 0.00 O ATOM 428 OE2 GLU A 27 -8.409 5.995 -21.589 1.00 0.00 O ATOM 0 H GLU A 27 -5.833 4.988 -19.155 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.274 7.404 -18.733 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.674 4.679 -17.457 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.864 5.956 -17.610 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.661 4.317 -19.877 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.297 4.203 -19.257 1.00 0.00 H new ATOM 435 N ARG A 28 -5.418 6.267 -16.242 1.00 0.00 N ATOM 436 CA ARG A 28 -4.866 6.630 -14.934 1.00 0.00 C ATOM 437 C ARG A 28 -4.109 7.952 -15.053 1.00 0.00 C ATOM 438 O ARG A 28 -4.287 8.829 -14.206 1.00 0.00 O ATOM 439 CB ARG A 28 -3.967 5.500 -14.400 1.00 0.00 C ATOM 440 CG ARG A 28 -4.739 4.204 -14.091 1.00 0.00 C ATOM 441 CD ARG A 28 -3.809 3.016 -13.803 1.00 0.00 C ATOM 442 NE ARG A 28 -4.501 1.731 -14.022 1.00 0.00 N ATOM 443 CZ ARG A 28 -3.960 0.513 -13.891 1.00 0.00 C ATOM 444 NH1 ARG A 28 -2.727 0.355 -13.414 1.00 0.00 N ATOM 445 NH2 ARG A 28 -4.665 -0.554 -14.251 1.00 0.00 N ATOM 0 H ARG A 28 -4.986 5.443 -16.660 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.675 6.764 -14.216 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.190 5.286 -15.133 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.465 5.841 -13.494 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.388 4.369 -13.231 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.384 3.960 -14.935 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.931 3.074 -14.447 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.454 3.070 -12.774 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.482 1.775 -14.299 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.177 1.170 -13.141 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.332 -0.581 -13.321 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.608 -0.441 -14.623 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.263 -1.487 -14.156 1.00 0.00 H new ATOM 459 N ALA A 29 -3.321 8.127 -16.118 1.00 0.00 N ATOM 460 CA ALA A 29 -2.654 9.388 -16.400 1.00 0.00 C ATOM 461 C ALA A 29 -3.681 10.509 -16.593 1.00 0.00 C ATOM 462 O ALA A 29 -3.496 11.598 -16.053 1.00 0.00 O ATOM 463 CB ALA A 29 -1.739 9.227 -17.619 1.00 0.00 C ATOM 0 H ALA A 29 -3.132 7.396 -16.804 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.032 9.669 -15.550 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.241 10.174 -17.828 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.991 8.461 -17.414 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.333 8.932 -18.484 1.00 0.00 H new ATOM 469 N MET A 30 -4.786 10.250 -17.301 1.00 0.00 N ATOM 470 CA MET A 30 -5.860 11.231 -17.453 1.00 0.00 C ATOM 471 C MET A 30 -6.545 11.549 -16.123 1.00 0.00 C ATOM 472 O MET A 30 -6.840 12.716 -15.869 1.00 0.00 O ATOM 473 CB MET A 30 -6.881 10.774 -18.502 1.00 0.00 C ATOM 474 CG MET A 30 -6.334 10.813 -19.936 1.00 0.00 C ATOM 475 SD MET A 30 -5.737 12.428 -20.520 1.00 0.00 S ATOM 476 CE MET A 30 -3.963 12.296 -20.150 1.00 0.00 C ATOM 0 H MET A 30 -4.958 9.365 -17.778 1.00 0.00 H new ATOM 0 HA MET A 30 -5.400 12.154 -17.804 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.201 9.758 -18.270 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.765 11.409 -18.440 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.515 10.097 -20.011 1.00 0.00 H new ATOM 0 HG3 MET A 30 -7.118 10.472 -20.612 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.392 12.830 -20.910 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.762 12.733 -19.172 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.669 11.246 -20.146 1.00 0.00 H new ATOM 486 N GLY A 31 -6.764 10.558 -15.257 1.00 0.00 N ATOM 487 CA GLY A 31 -7.356 10.767 -13.943 1.00 0.00 C ATOM 488 C GLY A 31 -6.531 11.767 -13.135 1.00 0.00 C ATOM 489 O GLY A 31 -7.063 12.773 -12.657 1.00 0.00 O ATOM 0 H GLY A 31 -6.533 9.584 -15.453 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.377 11.133 -14.052 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.413 9.819 -13.409 1.00 0.00 H new ATOM 493 N TRP A 32 -5.214 11.545 -13.071 1.00 0.00 N ATOM 494 CA TRP A 32 -4.286 12.496 -12.476 1.00 0.00 C ATOM 495 C TRP A 32 -4.363 13.856 -13.165 1.00 0.00 C ATOM 496 O TRP A 32 -4.489 14.871 -12.478 1.00 0.00 O ATOM 497 CB TRP A 32 -2.859 11.944 -12.536 1.00 0.00 C ATOM 498 CG TRP A 32 -2.499 11.044 -11.401 1.00 0.00 C ATOM 499 CD1 TRP A 32 -2.387 9.698 -11.440 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.182 11.432 -10.034 1.00 0.00 C ATOM 501 NE1 TRP A 32 -1.960 9.232 -10.212 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.823 10.263 -9.302 1.00 0.00 C ATOM 503 CE3 TRP A 32 -2.153 12.665 -9.345 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -1.428 10.327 -7.959 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -1.763 12.736 -7.994 1.00 0.00 C ATOM 506 CH2 TRP A 32 -1.391 11.568 -7.306 1.00 0.00 C ATOM 0 H TRP A 32 -4.768 10.701 -13.431 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.569 12.638 -11.433 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.732 11.398 -13.471 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -2.160 12.780 -12.557 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.599 9.081 -12.300 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.770 8.252 -10.003 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.435 13.569 -9.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.154 9.426 -7.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.750 13.689 -7.486 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.077 11.626 -6.274 1.00 0.00 H new ATOM 517 N TYR A 33 -4.307 13.879 -14.500 1.00 0.00 N ATOM 518 CA TYR A 33 -4.245 15.117 -15.258 1.00 0.00 C ATOM 519 C TYR A 33 -5.442 16.007 -14.938 1.00 0.00 C ATOM 520 O TYR A 33 -5.256 17.164 -14.566 1.00 0.00 O ATOM 521 CB TYR A 33 -4.156 14.831 -16.764 1.00 0.00 C ATOM 522 CG TYR A 33 -4.252 16.090 -17.603 1.00 0.00 C ATOM 523 CD1 TYR A 33 -3.118 16.898 -17.793 1.00 0.00 C ATOM 524 CD2 TYR A 33 -5.498 16.503 -18.109 1.00 0.00 C ATOM 525 CE1 TYR A 33 -3.227 18.117 -18.482 1.00 0.00 C ATOM 526 CE2 TYR A 33 -5.623 17.735 -18.772 1.00 0.00 C ATOM 527 CZ TYR A 33 -4.482 18.548 -18.970 1.00 0.00 C ATOM 528 OH TYR A 33 -4.582 19.744 -19.618 1.00 0.00 O ATOM 0 H TYR A 33 -4.304 13.038 -15.078 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.341 15.651 -14.965 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.214 14.326 -16.979 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.956 14.147 -17.048 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.160 16.581 -17.408 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.364 15.869 -17.987 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.350 18.727 -18.639 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.588 18.061 -19.130 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.512 19.892 -19.891 1.00 0.00 H new ATOM 538 N TYR A 34 -6.666 15.486 -15.049 1.00 0.00 N ATOM 539 CA TYR A 34 -7.854 16.311 -14.899 1.00 0.00 C ATOM 540 C TYR A 34 -8.082 16.709 -13.440 1.00 0.00 C ATOM 541 O TYR A 34 -8.583 17.805 -13.194 1.00 0.00 O ATOM 542 CB TYR A 34 -9.076 15.612 -15.504 1.00 0.00 C ATOM 543 CG TYR A 34 -9.034 15.517 -17.022 1.00 0.00 C ATOM 544 CD1 TYR A 34 -9.048 16.690 -17.804 1.00 0.00 C ATOM 545 CD2 TYR A 34 -8.976 14.262 -17.657 1.00 0.00 C ATOM 546 CE1 TYR A 34 -9.026 16.610 -19.208 1.00 0.00 C ATOM 547 CE2 TYR A 34 -8.943 14.173 -19.061 1.00 0.00 C ATOM 548 CZ TYR A 34 -8.970 15.349 -19.845 1.00 0.00 C ATOM 549 OH TYR A 34 -8.941 15.285 -21.206 1.00 0.00 O ATOM 0 H TYR A 34 -6.854 14.502 -15.241 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.697 17.237 -15.452 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.153 14.608 -15.087 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.976 16.150 -15.207 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.076 17.656 -17.322 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.957 13.361 -17.062 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.052 17.513 -19.800 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.897 13.206 -19.540 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.902 14.347 -21.489 1.00 0.00 H new ATOM 559 N TYR A 35 -7.692 15.876 -12.468 1.00 0.00 N ATOM 560 CA TYR A 35 -7.777 16.243 -11.058 1.00 0.00 C ATOM 561 C TYR A 35 -6.859 17.437 -10.764 1.00 0.00 C ATOM 562 O TYR A 35 -7.278 18.418 -10.142 1.00 0.00 O ATOM 563 CB TYR A 35 -7.416 15.021 -10.203 1.00 0.00 C ATOM 564 CG TYR A 35 -7.505 15.263 -8.709 1.00 0.00 C ATOM 565 CD1 TYR A 35 -8.763 15.373 -8.087 1.00 0.00 C ATOM 566 CD2 TYR A 35 -6.332 15.374 -7.939 1.00 0.00 C ATOM 567 CE1 TYR A 35 -8.852 15.599 -6.702 1.00 0.00 C ATOM 568 CE2 TYR A 35 -6.411 15.607 -6.555 1.00 0.00 C ATOM 569 CZ TYR A 35 -7.673 15.720 -5.928 1.00 0.00 C ATOM 570 OH TYR A 35 -7.739 15.935 -4.583 1.00 0.00 O ATOM 0 H TYR A 35 -7.315 14.943 -12.637 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.793 16.550 -10.810 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -8.079 14.197 -10.467 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.402 14.705 -10.449 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.664 15.283 -8.676 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.367 15.280 -8.414 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.819 15.680 -6.229 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.508 15.700 -5.971 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.832 15.990 -4.216 1.00 0.00 H new ATOM 580 N LEU A 36 -5.617 17.390 -11.254 1.00 0.00 N ATOM 581 CA LEU A 36 -4.650 18.466 -11.074 1.00 0.00 C ATOM 582 C LEU A 36 -5.116 19.706 -11.828 1.00 0.00 C ATOM 583 O LEU A 36 -5.080 20.795 -11.260 1.00 0.00 O ATOM 584 CB LEU A 36 -3.258 18.011 -11.547 1.00 0.00 C ATOM 585 CG LEU A 36 -2.365 17.411 -10.442 1.00 0.00 C ATOM 586 CD1 LEU A 36 -3.067 16.413 -9.513 1.00 0.00 C ATOM 587 CD2 LEU A 36 -1.172 16.707 -11.094 1.00 0.00 C ATOM 0 H LEU A 36 -5.257 16.599 -11.788 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.576 18.718 -10.016 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.382 17.270 -12.337 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.743 18.864 -11.988 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.065 18.252 -9.817 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.358 16.047 -8.770 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.898 16.907 -9.009 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.445 15.575 -10.098 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.534 16.279 -10.320 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.531 15.913 -11.748 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.600 17.427 -11.679 1.00 0.00 H new ATOM 599 N ASP A 37 -5.614 19.556 -13.056 1.00 0.00 N ATOM 600 CA ASP A 37 -6.114 20.672 -13.853 1.00 0.00 C ATOM 601 C ASP A 37 -7.283 21.375 -13.164 1.00 0.00 C ATOM 602 O ASP A 37 -7.395 22.599 -13.234 1.00 0.00 O ATOM 603 CB ASP A 37 -6.540 20.183 -15.241 1.00 0.00 C ATOM 604 CG ASP A 37 -7.183 21.312 -16.062 1.00 0.00 C ATOM 605 OD1 ASP A 37 -6.447 22.164 -16.605 1.00 0.00 O ATOM 606 OD2 ASP A 37 -8.427 21.328 -16.202 1.00 0.00 O ATOM 0 H ASP A 37 -5.681 18.653 -13.526 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.304 21.393 -13.958 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.672 19.793 -15.773 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.246 19.359 -15.137 1.00 0.00 H new ATOM 611 N ASP A 38 -8.129 20.618 -12.459 1.00 0.00 N ATOM 612 CA ASP A 38 -9.248 21.174 -11.704 1.00 0.00 C ATOM 613 C ASP A 38 -8.794 21.850 -10.406 1.00 0.00 C ATOM 614 O ASP A 38 -9.479 22.748 -9.911 1.00 0.00 O ATOM 615 CB ASP A 38 -10.265 20.069 -11.389 1.00 0.00 C ATOM 616 CG ASP A 38 -11.474 20.616 -10.612 1.00 0.00 C ATOM 617 OD1 ASP A 38 -12.287 21.366 -11.199 1.00 0.00 O ATOM 618 OD2 ASP A 38 -11.652 20.260 -9.425 1.00 0.00 O ATOM 0 H ASP A 38 -8.054 19.603 -12.398 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.712 21.940 -12.325 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.606 19.612 -12.318 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.782 19.285 -10.806 1.00 0.00 H new ATOM 623 N THR A 39 -7.640 21.456 -9.860 1.00 0.00 N ATOM 624 CA THR A 39 -7.224 21.875 -8.524 1.00 0.00 C ATOM 625 C THR A 39 -6.244 23.053 -8.559 1.00 0.00 C ATOM 626 O THR A 39 -6.398 24.007 -7.793 1.00 0.00 O ATOM 627 CB THR A 39 -6.600 20.664 -7.806 1.00 0.00 C ATOM 628 OG1 THR A 39 -7.534 19.607 -7.714 1.00 0.00 O ATOM 629 CG2 THR A 39 -6.116 21.036 -6.402 1.00 0.00 C ATOM 0 H THR A 39 -6.974 20.842 -10.330 1.00 0.00 H new ATOM 0 HA THR A 39 -8.101 22.227 -7.980 1.00 0.00 H new ATOM 0 HB THR A 39 -5.742 20.342 -8.396 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.627 19.176 -8.589 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.681 20.159 -5.923 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.364 21.821 -6.473 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.958 21.393 -5.809 1.00 0.00 H new ATOM 637 N LEU A 40 -5.227 22.981 -9.419 1.00 0.00 N ATOM 638 CA LEU A 40 -4.098 23.905 -9.420 1.00 0.00 C ATOM 639 C LEU A 40 -4.566 25.306 -9.827 1.00 0.00 C ATOM 640 O LEU A 40 -5.196 25.478 -10.870 1.00 0.00 O ATOM 641 CB LEU A 40 -3.016 23.390 -10.385 1.00 0.00 C ATOM 642 CG LEU A 40 -2.345 22.060 -9.976 1.00 0.00 C ATOM 643 CD1 LEU A 40 -1.558 21.498 -11.167 1.00 0.00 C ATOM 644 CD2 LEU A 40 -1.396 22.189 -8.786 1.00 0.00 C ATOM 0 H LEU A 40 -5.166 22.267 -10.145 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.675 23.965 -8.417 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.462 23.264 -11.371 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.244 24.153 -10.480 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.152 21.392 -9.674 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.084 20.559 -10.880 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.237 21.321 -12.001 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.793 22.214 -11.468 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.964 21.215 -8.558 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.599 22.891 -9.031 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.947 22.553 -7.919 1.00 0.00 H new ATOM 656 N GLU A 41 -4.224 26.315 -9.026 1.00 0.00 N ATOM 657 CA GLU A 41 -4.680 27.704 -9.170 1.00 0.00 C ATOM 658 C GLU A 41 -3.936 28.506 -10.260 1.00 0.00 C ATOM 659 O GLU A 41 -3.894 29.736 -10.195 1.00 0.00 O ATOM 660 CB GLU A 41 -4.565 28.385 -7.792 1.00 0.00 C ATOM 661 CG GLU A 41 -3.110 28.647 -7.355 1.00 0.00 C ATOM 662 CD GLU A 41 -3.037 28.992 -5.866 1.00 0.00 C ATOM 663 OE1 GLU A 41 -3.116 28.046 -5.053 1.00 0.00 O ATOM 664 OE2 GLU A 41 -2.886 30.184 -5.511 1.00 0.00 O ATOM 0 H GLU A 41 -3.600 26.187 -8.230 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.715 27.685 -9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.104 29.332 -7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.053 27.760 -7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.502 27.766 -7.558 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.692 29.465 -7.942 1.00 0.00 H new ATOM 671 N PHE A 42 -3.299 27.831 -11.223 1.00 0.00 N ATOM 672 CA PHE A 42 -2.378 28.449 -12.178 1.00 0.00 C ATOM 673 C PHE A 42 -2.972 29.659 -12.939 1.00 0.00 C ATOM 674 O PHE A 42 -4.186 29.682 -13.178 1.00 0.00 O ATOM 675 CB PHE A 42 -1.799 27.384 -13.124 1.00 0.00 C ATOM 676 CG PHE A 42 -2.795 26.604 -13.965 1.00 0.00 C ATOM 677 CD1 PHE A 42 -3.406 27.200 -15.086 1.00 0.00 C ATOM 678 CD2 PHE A 42 -3.028 25.242 -13.692 1.00 0.00 C ATOM 679 CE1 PHE A 42 -4.265 26.449 -15.906 1.00 0.00 C ATOM 680 CE2 PHE A 42 -3.887 24.490 -14.512 1.00 0.00 C ATOM 681 CZ PHE A 42 -4.509 25.095 -15.618 1.00 0.00 C ATOM 0 H PHE A 42 -3.411 26.827 -11.361 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.562 28.876 -11.595 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.095 27.873 -13.797 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.228 26.673 -12.527 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.213 28.238 -15.316 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.544 24.773 -12.848 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.738 26.913 -16.759 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.069 23.448 -14.293 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.174 24.520 -16.246 1.00 0.00 H new ATOM 691 N PRO A 43 -2.145 30.621 -13.407 1.00 0.00 N ATOM 692 CA PRO A 43 -0.706 30.745 -13.159 1.00 0.00 C ATOM 693 C PRO A 43 -0.345 30.910 -11.673 1.00 0.00 C ATOM 694 O PRO A 43 -1.107 31.512 -10.914 1.00 0.00 O ATOM 695 CB PRO A 43 -0.227 31.964 -13.962 1.00 0.00 C ATOM 696 CG PRO A 43 -1.308 32.157 -15.022 1.00 0.00 C ATOM 697 CD PRO A 43 -2.575 31.668 -14.321 1.00 0.00 C ATOM 0 HA PRO A 43 -0.214 29.823 -13.469 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.128 32.845 -13.328 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.748 31.785 -14.415 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.393 33.200 -15.325 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.097 31.579 -15.922 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.062 32.481 -13.783 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.297 31.285 -15.042 1.00 0.00 H new ATOM 705 N PHE A 44 0.815 30.388 -11.262 1.00 0.00 N ATOM 706 CA PHE A 44 1.358 30.533 -9.908 1.00 0.00 C ATOM 707 C PHE A 44 2.891 30.514 -9.971 1.00 0.00 C ATOM 708 O PHE A 44 3.457 30.108 -10.982 1.00 0.00 O ATOM 709 CB PHE A 44 0.795 29.447 -8.968 1.00 0.00 C ATOM 710 CG PHE A 44 1.153 27.996 -9.269 1.00 0.00 C ATOM 711 CD1 PHE A 44 2.421 27.499 -8.920 1.00 0.00 C ATOM 712 CD2 PHE A 44 0.207 27.113 -9.824 1.00 0.00 C ATOM 713 CE1 PHE A 44 2.762 26.158 -9.152 1.00 0.00 C ATOM 714 CE2 PHE A 44 0.547 25.770 -10.070 1.00 0.00 C ATOM 715 CZ PHE A 44 1.826 25.289 -9.736 1.00 0.00 C ATOM 0 H PHE A 44 1.417 29.840 -11.877 1.00 0.00 H new ATOM 0 HA PHE A 44 1.048 31.491 -9.490 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.131 29.672 -7.956 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.292 29.532 -8.970 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.144 28.160 -8.466 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.785 27.468 -10.062 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.743 25.795 -8.882 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.177 25.105 -10.517 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.086 24.258 -9.927 1.00 0.00 H new ATOM 725 N MET A 45 3.590 30.947 -8.921 1.00 0.00 N ATOM 726 CA MET A 45 5.056 30.972 -8.896 1.00 0.00 C ATOM 727 C MET A 45 5.589 29.656 -8.324 1.00 0.00 C ATOM 728 O MET A 45 4.996 29.112 -7.392 1.00 0.00 O ATOM 729 CB MET A 45 5.499 32.160 -8.027 1.00 0.00 C ATOM 730 CG MET A 45 7.016 32.359 -8.029 1.00 0.00 C ATOM 731 SD MET A 45 7.579 33.660 -6.906 1.00 0.00 S ATOM 732 CE MET A 45 9.356 33.481 -7.188 1.00 0.00 C ATOM 0 H MET A 45 3.158 31.290 -8.063 1.00 0.00 H new ATOM 0 HA MET A 45 5.453 31.086 -9.905 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.017 33.069 -8.388 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.158 32.003 -7.003 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.497 31.420 -7.754 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.341 32.599 -9.041 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.901 34.116 -6.490 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.646 32.441 -7.035 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.594 33.777 -8.210 1.00 0.00 H new ATOM 742 N GLY A 46 6.736 29.160 -8.795 1.00 0.00 N ATOM 743 CA GLY A 46 7.390 28.015 -8.189 1.00 0.00 C ATOM 744 C GLY A 46 8.883 28.013 -8.472 1.00 0.00 C ATOM 745 O GLY A 46 9.391 28.785 -9.286 1.00 0.00 O ATOM 0 H GLY A 46 7.229 29.543 -9.602 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.223 28.027 -7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.945 27.096 -8.571 1.00 0.00 H new ATOM 749 N LYS A 47 9.598 27.141 -7.772 1.00 0.00 N ATOM 750 CA LYS A 47 10.991 26.848 -8.076 1.00 0.00 C ATOM 751 C LYS A 47 10.986 25.574 -8.913 1.00 0.00 C ATOM 752 O LYS A 47 10.405 24.568 -8.501 1.00 0.00 O ATOM 753 CB LYS A 47 11.802 26.664 -6.779 1.00 0.00 C ATOM 754 CG LYS A 47 13.319 26.783 -7.016 1.00 0.00 C ATOM 755 CD LYS A 47 13.806 28.229 -7.225 1.00 0.00 C ATOM 756 CE LYS A 47 13.738 29.067 -5.939 1.00 0.00 C ATOM 757 NZ LYS A 47 14.447 30.364 -6.080 1.00 0.00 N ATOM 0 H LYS A 47 9.228 26.618 -6.978 1.00 0.00 H new ATOM 0 HA LYS A 47 11.462 27.666 -8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.491 27.412 -6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.579 25.687 -6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.845 26.352 -6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.588 26.189 -7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.833 28.213 -7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.200 28.704 -7.997 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.695 29.251 -5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.175 28.503 -5.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.060 31.047 -5.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.461 30.227 -5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.317 30.727 -7.046 1.00 0.00 H new ATOM 771 N TRP A 48 11.608 25.611 -10.087 1.00 0.00 N ATOM 772 CA TRP A 48 11.869 24.425 -10.880 1.00 0.00 C ATOM 773 C TRP A 48 13.170 23.851 -10.325 1.00 0.00 C ATOM 774 O TRP A 48 14.250 24.389 -10.579 1.00 0.00 O ATOM 775 CB TRP A 48 11.953 24.792 -12.372 1.00 0.00 C ATOM 776 CG TRP A 48 12.152 23.670 -13.352 1.00 0.00 C ATOM 777 CD1 TRP A 48 12.180 22.352 -13.060 1.00 0.00 C ATOM 778 CD2 TRP A 48 12.326 23.742 -14.802 1.00 0.00 C ATOM 779 NE1 TRP A 48 12.372 21.611 -14.202 1.00 0.00 N ATOM 780 CE2 TRP A 48 12.454 22.415 -15.317 1.00 0.00 C ATOM 781 CE3 TRP A 48 12.366 24.795 -15.741 1.00 0.00 C ATOM 782 CZ2 TRP A 48 12.597 22.149 -16.687 1.00 0.00 C ATOM 783 CZ3 TRP A 48 12.505 24.542 -17.120 1.00 0.00 C ATOM 784 CH2 TRP A 48 12.616 23.223 -17.594 1.00 0.00 C ATOM 0 H TRP A 48 11.946 26.474 -10.514 1.00 0.00 H new ATOM 0 HA TRP A 48 11.075 23.682 -10.815 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.036 25.316 -12.642 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.773 25.499 -12.499 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.067 21.938 -12.069 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.445 20.594 -14.221 1.00 0.00 H new ATOM 0 HE3 TRP A 48 12.288 25.815 -15.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 12.691 21.133 -17.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 12.526 25.366 -17.817 1.00 0.00 H new ATOM 0 HH2 TRP A 48 12.716 23.035 -18.653 1.00 0.00 H new ATOM 795 N LYS A 49 13.067 22.787 -9.529 1.00 0.00 N ATOM 796 CA LYS A 49 14.182 21.989 -9.035 1.00 0.00 C ATOM 797 C LYS A 49 14.512 20.957 -10.112 1.00 0.00 C ATOM 798 O LYS A 49 14.253 19.764 -9.945 1.00 0.00 O ATOM 799 CB LYS A 49 13.786 21.334 -7.698 1.00 0.00 C ATOM 800 CG LYS A 49 13.965 22.307 -6.531 1.00 0.00 C ATOM 801 CD LYS A 49 13.555 21.653 -5.206 1.00 0.00 C ATOM 802 CE LYS A 49 14.155 22.448 -4.041 1.00 0.00 C ATOM 803 NZ LYS A 49 13.685 21.948 -2.728 1.00 0.00 N ATOM 0 H LYS A 49 12.164 22.446 -9.198 1.00 0.00 H new ATOM 0 HA LYS A 49 15.067 22.596 -8.842 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.748 21.005 -7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 49 14.395 20.445 -7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.005 22.628 -6.476 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.364 23.200 -6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.469 21.626 -5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.903 20.621 -5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 49 15.243 22.389 -4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.889 23.500 -4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.153 22.479 -1.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.655 22.075 -2.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.916 20.938 -2.638 1.00 0.00 H new ATOM 817 N LYS A 50 14.985 21.434 -11.265 1.00 0.00 N ATOM 818 CA LYS A 50 15.277 20.601 -12.425 1.00 0.00 C ATOM 819 C LYS A 50 16.262 19.504 -12.026 1.00 0.00 C ATOM 820 O LYS A 50 17.428 19.792 -11.766 1.00 0.00 O ATOM 821 CB LYS A 50 15.779 21.474 -13.587 1.00 0.00 C ATOM 822 CG LYS A 50 15.807 20.674 -14.899 1.00 0.00 C ATOM 823 CD LYS A 50 16.115 21.589 -16.095 1.00 0.00 C ATOM 824 CE LYS A 50 16.124 20.780 -17.402 1.00 0.00 C ATOM 825 NZ LYS A 50 16.314 21.643 -18.598 1.00 0.00 N ATOM 0 H LYS A 50 15.177 22.424 -11.418 1.00 0.00 H new ATOM 0 HA LYS A 50 14.372 20.107 -12.779 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.132 22.344 -13.700 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.778 21.847 -13.362 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.560 19.888 -14.834 1.00 0.00 H new ATOM 0 HG3 LYS A 50 14.846 20.183 -15.050 1.00 0.00 H new ATOM 0 HD2 LYS A 50 15.369 22.382 -16.156 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.082 22.071 -15.952 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.921 20.038 -17.362 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.185 20.235 -17.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.313 21.054 -19.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.540 22.335 -18.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.222 22.144 -18.524 1.00 0.00 H new ATOM 957 N ILE A 58 19.928 18.074 -8.823 1.00 0.00 N ATOM 958 CA ILE A 58 19.027 19.218 -8.728 1.00 0.00 C ATOM 959 C ILE A 58 19.789 20.484 -9.138 1.00 0.00 C ATOM 960 O ILE A 58 20.936 20.701 -8.741 1.00 0.00 O ATOM 961 CB ILE A 58 18.433 19.340 -7.299 1.00 0.00 C ATOM 962 CG1 ILE A 58 17.679 18.068 -6.842 1.00 0.00 C ATOM 963 CG2 ILE A 58 17.510 20.570 -7.149 1.00 0.00 C ATOM 964 CD1 ILE A 58 16.416 17.723 -7.645 1.00 0.00 C ATOM 0 HA ILE A 58 18.184 19.080 -9.405 1.00 0.00 H new ATOM 0 HB ILE A 58 19.298 19.469 -6.648 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.364 17.222 -6.895 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.401 18.188 -5.795 1.00 0.00 H new ATOM 0 HG21 ILE A 58 17.120 20.610 -6.132 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.077 21.478 -7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 58 16.681 20.491 -7.852 1.00 0.00 H new ATOM 0 HD11 ILE A 58 15.966 16.816 -7.243 1.00 0.00 H new ATOM 0 HD12 ILE A 58 15.703 18.545 -7.573 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.682 17.563 -8.690 1.00 0.00 H new ATOM 976 N GLU A 59 19.104 21.338 -9.887 1.00 0.00 N ATOM 977 CA GLU A 59 19.481 22.695 -10.234 1.00 0.00 C ATOM 978 C GLU A 59 18.202 23.509 -10.018 1.00 0.00 C ATOM 979 O GLU A 59 17.102 22.965 -10.135 1.00 0.00 O ATOM 980 CB GLU A 59 19.994 22.736 -11.679 1.00 0.00 C ATOM 981 CG GLU A 59 20.393 24.143 -12.142 1.00 0.00 C ATOM 982 CD GLU A 59 21.478 24.782 -11.258 1.00 0.00 C ATOM 983 OE1 GLU A 59 21.126 25.411 -10.234 1.00 0.00 O ATOM 984 OE2 GLU A 59 22.682 24.672 -11.585 1.00 0.00 O ATOM 0 H GLU A 59 18.206 21.078 -10.296 1.00 0.00 H new ATOM 0 HA GLU A 59 20.295 23.099 -9.633 1.00 0.00 H new ATOM 0 HB2 GLU A 59 20.855 22.073 -11.771 1.00 0.00 H new ATOM 0 HB3 GLU A 59 19.221 22.348 -12.343 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.753 24.093 -13.170 1.00 0.00 H new ATOM 0 HG3 GLU A 59 19.510 24.783 -12.144 1.00 0.00 H new ATOM 991 N GLU A 60 18.320 24.791 -9.686 1.00 0.00 N ATOM 992 CA GLU A 60 17.193 25.600 -9.241 1.00 0.00 C ATOM 993 C GLU A 60 17.021 26.809 -10.155 1.00 0.00 C ATOM 994 O GLU A 60 17.927 27.636 -10.288 1.00 0.00 O ATOM 995 CB GLU A 60 17.405 26.023 -7.779 1.00 0.00 C ATOM 996 CG GLU A 60 17.261 24.833 -6.824 1.00 0.00 C ATOM 997 CD GLU A 60 17.454 25.254 -5.357 1.00 0.00 C ATOM 998 OE1 GLU A 60 18.609 25.284 -4.874 1.00 0.00 O ATOM 999 OE2 GLU A 60 16.451 25.542 -4.666 1.00 0.00 O ATOM 0 H GLU A 60 19.204 25.299 -9.719 1.00 0.00 H new ATOM 0 HA GLU A 60 16.277 25.012 -9.295 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.396 26.463 -7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 60 16.681 26.794 -7.513 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.275 24.385 -6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.993 24.068 -7.082 1.00 0.00 H new ATOM 1006 N LYS A 61 15.834 26.920 -10.757 1.00 0.00 N ATOM 1007 CA LYS A 61 15.413 28.059 -11.573 1.00 0.00 C ATOM 1008 C LYS A 61 14.136 28.599 -10.948 1.00 0.00 C ATOM 1009 O LYS A 61 13.306 27.816 -10.484 1.00 0.00 O ATOM 1010 CB LYS A 61 15.149 27.599 -13.018 1.00 0.00 C ATOM 1011 CG LYS A 61 16.425 27.172 -13.761 1.00 0.00 C ATOM 1012 CD LYS A 61 16.138 26.184 -14.906 1.00 0.00 C ATOM 1013 CE LYS A 61 15.276 26.721 -16.060 1.00 0.00 C ATOM 1014 NZ LYS A 61 15.931 27.814 -16.819 1.00 0.00 N ATOM 0 H LYS A 61 15.118 26.197 -10.687 1.00 0.00 H new ATOM 0 HA LYS A 61 16.184 28.829 -11.605 1.00 0.00 H new ATOM 0 HB2 LYS A 61 14.448 26.764 -13.004 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.670 28.409 -13.568 1.00 0.00 H new ATOM 0 HG2 LYS A 61 16.920 28.056 -14.164 1.00 0.00 H new ATOM 0 HG3 LYS A 61 17.117 26.713 -13.054 1.00 0.00 H new ATOM 0 HD2 LYS A 61 17.090 25.848 -15.316 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.644 25.307 -14.487 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.043 25.903 -16.742 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.329 27.082 -15.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.507 27.881 -17.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.798 28.714 -16.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.948 27.614 -16.908 1.00 0.00 H new ATOM 1028 N THR A 62 13.956 29.913 -10.940 1.00 0.00 N ATOM 1029 CA THR A 62 12.763 30.534 -10.376 1.00 0.00 C ATOM 1030 C THR A 62 11.815 30.785 -11.543 1.00 0.00 C ATOM 1031 O THR A 62 12.195 31.445 -12.514 1.00 0.00 O ATOM 1032 CB THR A 62 13.163 31.798 -9.605 1.00 0.00 C ATOM 1033 OG1 THR A 62 14.197 31.480 -8.688 1.00 0.00 O ATOM 1034 CG2 THR A 62 11.999 32.340 -8.783 1.00 0.00 C ATOM 0 H THR A 62 14.629 30.577 -11.322 1.00 0.00 H new ATOM 0 HA THR A 62 12.251 29.904 -9.649 1.00 0.00 H new ATOM 0 HB THR A 62 13.479 32.541 -10.337 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.456 32.286 -8.195 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.317 33.236 -8.249 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.170 32.587 -9.446 1.00 0.00 H new ATOM 0 HG23 THR A 62 11.677 31.585 -8.066 1.00 0.00 H new ATOM 1042 N VAL A 63 10.596 30.245 -11.483 1.00 0.00 N ATOM 1043 CA VAL A 63 9.708 30.228 -12.631 1.00 0.00 C ATOM 1044 C VAL A 63 8.281 30.595 -12.229 1.00 0.00 C ATOM 1045 O VAL A 63 7.868 30.459 -11.078 1.00 0.00 O ATOM 1046 CB VAL A 63 9.769 28.850 -13.342 1.00 0.00 C ATOM 1047 CG1 VAL A 63 11.197 28.411 -13.718 1.00 0.00 C ATOM 1048 CG2 VAL A 63 9.144 27.702 -12.532 1.00 0.00 C ATOM 0 H VAL A 63 10.207 29.814 -10.645 1.00 0.00 H new ATOM 0 HA VAL A 63 10.045 30.984 -13.340 1.00 0.00 H new ATOM 0 HB VAL A 63 9.183 29.025 -14.244 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.161 27.439 -14.211 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.637 29.145 -14.393 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.805 28.338 -12.816 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.226 26.773 -13.096 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.670 27.598 -11.583 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.093 27.920 -12.343 1.00 0.00 H new ATOM 1058 N GLU A 64 7.517 31.062 -13.204 1.00 0.00 N ATOM 1059 CA GLU A 64 6.084 31.242 -13.094 1.00 0.00 C ATOM 1060 C GLU A 64 5.515 30.056 -13.868 1.00 0.00 C ATOM 1061 O GLU A 64 5.804 29.894 -15.052 1.00 0.00 O ATOM 1062 CB GLU A 64 5.654 32.606 -13.655 1.00 0.00 C ATOM 1063 CG GLU A 64 4.171 32.867 -13.359 1.00 0.00 C ATOM 1064 CD GLU A 64 3.745 34.282 -13.792 1.00 0.00 C ATOM 1065 OE1 GLU A 64 3.354 34.479 -14.964 1.00 0.00 O ATOM 1066 OE2 GLU A 64 3.778 35.211 -12.953 1.00 0.00 O ATOM 0 H GLU A 64 7.889 31.332 -14.115 1.00 0.00 H new ATOM 0 HA GLU A 64 5.719 31.257 -12.067 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.263 33.395 -13.214 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.826 32.634 -14.731 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.561 32.128 -13.878 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.985 32.741 -12.292 1.00 0.00 H new ATOM 1073 N VAL A 65 4.790 29.176 -13.189 1.00 0.00 N ATOM 1074 CA VAL A 65 4.036 28.095 -13.797 1.00 0.00 C ATOM 1075 C VAL A 65 2.833 28.756 -14.458 1.00 0.00 C ATOM 1076 O VAL A 65 1.995 29.327 -13.763 1.00 0.00 O ATOM 1077 CB VAL A 65 3.624 27.071 -12.716 1.00 0.00 C ATOM 1078 CG1 VAL A 65 2.732 25.973 -13.313 1.00 0.00 C ATOM 1079 CG2 VAL A 65 4.861 26.427 -12.065 1.00 0.00 C ATOM 0 H VAL A 65 4.710 29.198 -12.172 1.00 0.00 H new ATOM 0 HA VAL A 65 4.614 27.539 -14.535 1.00 0.00 H new ATOM 0 HB VAL A 65 3.063 27.611 -11.953 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.455 25.264 -12.532 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.831 26.423 -13.730 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.275 25.451 -14.101 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.542 25.710 -11.308 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.447 25.913 -12.827 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.471 27.201 -11.598 1.00 0.00 H new ATOM 1089 N LEU A 66 2.759 28.718 -15.788 1.00 0.00 N ATOM 1090 CA LEU A 66 1.667 29.330 -16.541 1.00 0.00 C ATOM 1091 C LEU A 66 0.442 28.419 -16.556 1.00 0.00 C ATOM 1092 O LEU A 66 -0.683 28.918 -16.562 1.00 0.00 O ATOM 1093 CB LEU A 66 2.128 29.656 -17.974 1.00 0.00 C ATOM 1094 CG LEU A 66 2.680 31.089 -18.117 1.00 0.00 C ATOM 1095 CD1 LEU A 66 3.805 31.411 -17.127 1.00 0.00 C ATOM 1096 CD2 LEU A 66 3.193 31.297 -19.545 1.00 0.00 C ATOM 0 H LEU A 66 3.457 28.260 -16.374 1.00 0.00 H new ATOM 0 HA LEU A 66 1.384 30.261 -16.049 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.898 28.944 -18.273 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.290 29.525 -18.658 1.00 0.00 H new ATOM 0 HG LEU A 66 1.855 31.765 -17.892 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.146 32.434 -17.284 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.434 31.304 -16.108 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.636 30.724 -17.285 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.583 32.310 -19.647 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.986 30.579 -19.755 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.375 31.150 -20.250 1.00 0.00 H new ATOM 1108 N GLY A 67 0.637 27.100 -16.536 1.00 0.00 N ATOM 1109 CA GLY A 67 -0.430 26.127 -16.510 1.00 0.00 C ATOM 1110 C GLY A 67 0.149 24.748 -16.752 1.00 0.00 C ATOM 1111 O GLY A 67 1.350 24.596 -16.977 1.00 0.00 O ATOM 0 H GLY A 67 1.566 26.680 -16.538 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.942 26.156 -15.548 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.172 26.362 -17.273 1.00 0.00 H new ATOM 1115 N MET A 68 -0.704 23.734 -16.694 1.00 0.00 N ATOM 1116 CA MET A 68 -0.329 22.388 -17.111 1.00 0.00 C ATOM 1117 C MET A 68 -0.028 22.381 -18.611 1.00 0.00 C ATOM 1118 O MET A 68 -0.603 23.158 -19.380 1.00 0.00 O ATOM 1119 CB MET A 68 -1.420 21.375 -16.752 1.00 0.00 C ATOM 1120 CG MET A 68 -1.532 21.229 -15.230 1.00 0.00 C ATOM 1121 SD MET A 68 -2.703 19.964 -14.688 1.00 0.00 S ATOM 1122 CE MET A 68 -1.756 18.458 -15.024 1.00 0.00 C ATOM 0 H MET A 68 -1.664 23.818 -16.361 1.00 0.00 H new ATOM 0 HA MET A 68 0.572 22.088 -16.575 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.376 21.699 -17.164 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.190 20.409 -17.201 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.548 20.993 -14.826 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.829 22.188 -14.806 1.00 0.00 H new ATOM 0 HE1 MET A 68 -2.384 17.585 -14.842 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.428 18.459 -16.063 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.886 18.422 -14.369 1.00 0.00 H new ATOM 1132 N ALA A 69 0.876 21.489 -19.020 1.00 0.00 N ATOM 1133 CA ALA A 69 1.125 21.194 -20.425 1.00 0.00 C ATOM 1134 C ALA A 69 -0.135 20.549 -21.038 1.00 0.00 C ATOM 1135 O ALA A 69 -1.020 20.131 -20.285 1.00 0.00 O ATOM 1136 CB ALA A 69 2.330 20.251 -20.514 1.00 0.00 C ATOM 0 H ALA A 69 1.458 20.950 -18.379 1.00 0.00 H new ATOM 0 HA ALA A 69 1.346 22.104 -20.982 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.533 20.018 -21.559 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.203 20.733 -20.074 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.112 19.330 -19.972 1.00 0.00 H new ATOM 1142 N PRO A 70 -0.235 20.433 -22.376 1.00 0.00 N ATOM 1143 CA PRO A 70 -1.300 19.672 -23.017 1.00 0.00 C ATOM 1144 C PRO A 70 -1.445 18.271 -22.416 1.00 0.00 C ATOM 1145 O PRO A 70 -0.455 17.633 -22.043 1.00 0.00 O ATOM 1146 CB PRO A 70 -0.935 19.612 -24.503 1.00 0.00 C ATOM 1147 CG PRO A 70 -0.096 20.872 -24.707 1.00 0.00 C ATOM 1148 CD PRO A 70 0.652 21.001 -23.381 1.00 0.00 C ATOM 0 HA PRO A 70 -2.268 20.150 -22.864 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.372 18.710 -24.743 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.822 19.612 -25.136 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.589 20.770 -25.549 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.719 21.744 -24.906 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.602 20.467 -23.413 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.880 22.044 -23.159 1.00 0.00 H new ATOM 1156 N ASP A 71 -2.677 17.762 -22.388 1.00 0.00 N ATOM 1157 CA ASP A 71 -2.974 16.420 -21.889 1.00 0.00 C ATOM 1158 C ASP A 71 -2.180 15.356 -22.651 1.00 0.00 C ATOM 1159 O ASP A 71 -1.784 14.358 -22.058 1.00 0.00 O ATOM 1160 CB ASP A 71 -4.479 16.119 -21.951 1.00 0.00 C ATOM 1161 CG ASP A 71 -4.962 15.763 -23.369 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -5.138 16.689 -24.192 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -5.191 14.569 -23.664 1.00 0.00 O ATOM 0 H ASP A 71 -3.499 18.271 -22.712 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.667 16.388 -20.844 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.707 15.293 -21.277 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.033 16.986 -21.591 1.00 0.00 H new ATOM 1168 N ASP A 72 -1.876 15.598 -23.932 1.00 0.00 N ATOM 1169 CA ASP A 72 -1.114 14.682 -24.780 1.00 0.00 C ATOM 1170 C ASP A 72 0.333 14.499 -24.303 1.00 0.00 C ATOM 1171 O ASP A 72 0.933 13.449 -24.533 1.00 0.00 O ATOM 1172 CB ASP A 72 -1.125 15.188 -26.226 1.00 0.00 C ATOM 1173 CG ASP A 72 -0.392 14.216 -27.167 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -0.907 13.100 -27.409 1.00 0.00 O ATOM 1175 OD2 ASP A 72 0.671 14.580 -27.716 1.00 0.00 O ATOM 0 H ASP A 72 -2.159 16.451 -24.414 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.597 13.707 -24.718 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.155 15.314 -26.561 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.652 16.169 -26.273 1.00 0.00 H new ATOM 1180 N GLU A 73 0.895 15.494 -23.610 1.00 0.00 N ATOM 1181 CA GLU A 73 2.208 15.375 -22.979 1.00 0.00 C ATOM 1182 C GLU A 73 2.087 14.597 -21.665 1.00 0.00 C ATOM 1183 O GLU A 73 2.984 13.840 -21.294 1.00 0.00 O ATOM 1184 CB GLU A 73 2.794 16.768 -22.675 1.00 0.00 C ATOM 1185 CG GLU A 73 2.988 17.666 -23.907 1.00 0.00 C ATOM 1186 CD GLU A 73 3.918 17.051 -24.971 1.00 0.00 C ATOM 1187 OE1 GLU A 73 5.048 16.626 -24.638 1.00 0.00 O ATOM 1188 OE2 GLU A 73 3.546 17.025 -26.165 1.00 0.00 O ATOM 0 H GLU A 73 0.451 16.402 -23.472 1.00 0.00 H new ATOM 0 HA GLU A 73 2.868 14.848 -23.668 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.137 17.278 -21.971 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.756 16.642 -22.179 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.016 17.868 -24.357 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.397 18.625 -23.588 1.00 0.00 H new ATOM 1195 N CYS A 74 0.960 14.750 -20.967 1.00 0.00 N ATOM 1196 CA CYS A 74 0.756 14.273 -19.607 1.00 0.00 C ATOM 1197 C CYS A 74 0.364 12.787 -19.530 1.00 0.00 C ATOM 1198 O CYS A 74 -0.343 12.383 -18.607 1.00 0.00 O ATOM 1199 CB CYS A 74 -0.252 15.190 -18.905 1.00 0.00 C ATOM 1200 SG CYS A 74 0.358 16.907 -18.897 1.00 0.00 S ATOM 0 H CYS A 74 0.142 15.225 -21.349 1.00 0.00 H new ATOM 0 HA CYS A 74 1.709 14.322 -19.081 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.215 15.141 -19.414 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.414 14.849 -17.882 1.00 0.00 H new ATOM 0 HG CYS A 74 0.155 17.445 -20.063 1.00 0.00 H new ATOM 1206 N LEU A 75 0.781 11.968 -20.502 1.00 0.00 N ATOM 1207 CA LEU A 75 0.474 10.533 -20.558 1.00 0.00 C ATOM 1208 C LEU A 75 1.448 9.673 -19.741 1.00 0.00 C ATOM 1209 O LEU A 75 1.155 8.506 -19.481 1.00 0.00 O ATOM 1210 CB LEU A 75 0.513 10.049 -22.025 1.00 0.00 C ATOM 1211 CG LEU A 75 -0.853 9.900 -22.711 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -1.756 8.868 -22.019 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -1.584 11.234 -22.841 1.00 0.00 C ATOM 0 H LEU A 75 1.351 12.288 -21.285 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.519 10.415 -20.125 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.116 10.749 -22.604 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.023 9.086 -22.058 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.634 9.531 -23.713 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.708 8.805 -22.547 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.269 7.893 -22.031 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.933 9.173 -20.988 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.544 11.076 -23.332 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.748 11.657 -21.850 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.982 11.923 -23.434 1.00 0.00 H new ATOM 1225 N LYS A 76 2.610 10.220 -19.370 1.00 0.00 N ATOM 1226 CA LYS A 76 3.729 9.457 -18.788 1.00 0.00 C ATOM 1227 C LYS A 76 4.326 10.103 -17.535 1.00 0.00 C ATOM 1228 O LYS A 76 4.956 9.413 -16.736 1.00 0.00 O ATOM 1229 CB LYS A 76 4.835 9.266 -19.844 1.00 0.00 C ATOM 1230 CG LYS A 76 4.377 8.443 -21.060 1.00 0.00 C ATOM 1231 CD LYS A 76 5.540 8.195 -22.029 1.00 0.00 C ATOM 1232 CE LYS A 76 5.056 7.376 -23.234 1.00 0.00 C ATOM 1233 NZ LYS A 76 6.147 7.103 -24.203 1.00 0.00 N ATOM 0 H LYS A 76 2.807 11.216 -19.465 1.00 0.00 H new ATOM 0 HA LYS A 76 3.318 8.496 -18.480 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.177 10.244 -20.183 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.689 8.773 -19.381 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.969 7.489 -20.725 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.574 8.969 -21.577 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.951 9.146 -22.367 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.343 7.664 -21.518 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.638 6.432 -22.885 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.252 7.914 -23.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.773 6.548 -24.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.530 8.003 -24.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.904 6.567 -23.732 1.00 0.00 H new ATOM 1247 N ASP A 77 4.118 11.401 -17.347 1.00 0.00 N ATOM 1248 CA ASP A 77 4.483 12.196 -16.175 1.00 0.00 C ATOM 1249 C ASP A 77 3.493 13.367 -16.192 1.00 0.00 C ATOM 1250 O ASP A 77 2.766 13.530 -17.180 1.00 0.00 O ATOM 1251 CB ASP A 77 5.942 12.683 -16.282 1.00 0.00 C ATOM 1252 CG ASP A 77 6.605 12.996 -14.928 1.00 0.00 C ATOM 1253 OD1 ASP A 77 6.043 13.768 -14.120 1.00 0.00 O ATOM 1254 OD2 ASP A 77 7.725 12.490 -14.690 1.00 0.00 O ATOM 0 H ASP A 77 3.657 11.968 -18.059 1.00 0.00 H new ATOM 0 HA ASP A 77 4.429 11.631 -15.245 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.530 11.922 -16.794 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.969 13.579 -16.903 1.00 0.00 H new ATOM 1259 N MET A 78 3.436 14.189 -15.151 1.00 0.00 N ATOM 1260 CA MET A 78 2.665 15.428 -15.189 1.00 0.00 C ATOM 1261 C MET A 78 3.631 16.528 -15.615 1.00 0.00 C ATOM 1262 O MET A 78 4.773 16.557 -15.152 1.00 0.00 O ATOM 1263 CB MET A 78 2.044 15.721 -13.815 1.00 0.00 C ATOM 1264 CG MET A 78 0.886 14.778 -13.468 1.00 0.00 C ATOM 1265 SD MET A 78 -0.596 14.918 -14.512 1.00 0.00 S ATOM 1266 CE MET A 78 -0.443 13.388 -15.474 1.00 0.00 C ATOM 0 H MET A 78 3.916 14.020 -14.267 1.00 0.00 H new ATOM 0 HA MET A 78 1.835 15.358 -15.892 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.815 15.638 -13.049 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.685 16.750 -13.796 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.250 13.752 -13.524 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.595 14.957 -12.433 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.352 13.230 -16.054 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.409 13.466 -16.149 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.294 12.546 -14.798 1.00 0.00 H new ATOM 1276 N TYR A 79 3.188 17.454 -16.466 1.00 0.00 N ATOM 1277 CA TYR A 79 4.044 18.497 -17.023 1.00 0.00 C ATOM 1278 C TYR A 79 3.332 19.846 -16.948 1.00 0.00 C ATOM 1279 O TYR A 79 2.100 19.913 -16.908 1.00 0.00 O ATOM 1280 CB TYR A 79 4.412 18.168 -18.477 1.00 0.00 C ATOM 1281 CG TYR A 79 5.293 16.953 -18.696 1.00 0.00 C ATOM 1282 CD1 TYR A 79 6.695 17.086 -18.698 1.00 0.00 C ATOM 1283 CD2 TYR A 79 4.710 15.705 -18.989 1.00 0.00 C ATOM 1284 CE1 TYR A 79 7.509 15.987 -19.026 1.00 0.00 C ATOM 1285 CE2 TYR A 79 5.517 14.602 -19.315 1.00 0.00 C ATOM 1286 CZ TYR A 79 6.924 14.739 -19.336 1.00 0.00 C ATOM 1287 OH TYR A 79 7.725 13.682 -19.652 1.00 0.00 O ATOM 0 H TYR A 79 2.221 17.500 -16.788 1.00 0.00 H new ATOM 0 HA TYR A 79 4.963 18.548 -16.439 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.489 18.025 -19.038 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.914 19.035 -18.906 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.146 18.035 -18.447 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.636 15.595 -18.963 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.583 16.097 -19.041 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.063 13.650 -19.549 1.00 0.00 H new ATOM 0 HH TYR A 79 7.171 12.896 -19.839 1.00 0.00 H new ATOM 1297 N VAL A 80 4.114 20.922 -16.962 1.00 0.00 N ATOM 1298 CA VAL A 80 3.652 22.288 -16.775 1.00 0.00 C ATOM 1299 C VAL A 80 4.457 23.200 -17.692 1.00 0.00 C ATOM 1300 O VAL A 80 5.659 23.002 -17.866 1.00 0.00 O ATOM 1301 CB VAL A 80 3.785 22.720 -15.296 1.00 0.00 C ATOM 1302 CG1 VAL A 80 2.571 22.292 -14.461 1.00 0.00 C ATOM 1303 CG2 VAL A 80 5.055 22.214 -14.592 1.00 0.00 C ATOM 0 H VAL A 80 5.121 20.861 -17.109 1.00 0.00 H new ATOM 0 HA VAL A 80 2.595 22.358 -17.031 1.00 0.00 H new ATOM 0 HB VAL A 80 3.848 23.807 -15.352 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.707 22.616 -13.429 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.669 22.749 -14.869 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.473 21.207 -14.491 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.063 22.565 -13.560 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.068 21.124 -14.605 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.935 22.594 -15.112 1.00 0.00 H new ATOM 1313 N GLU A 81 3.794 24.185 -18.288 1.00 0.00 N ATOM 1314 CA GLU A 81 4.442 25.261 -19.013 1.00 0.00 C ATOM 1315 C GLU A 81 4.942 26.246 -17.960 1.00 0.00 C ATOM 1316 O GLU A 81 4.193 26.598 -17.042 1.00 0.00 O ATOM 1317 CB GLU A 81 3.450 25.950 -19.962 1.00 0.00 C ATOM 1318 CG GLU A 81 2.987 25.017 -21.089 1.00 0.00 C ATOM 1319 CD GLU A 81 2.142 25.769 -22.133 1.00 0.00 C ATOM 1320 OE1 GLU A 81 0.940 26.018 -21.892 1.00 0.00 O ATOM 1321 OE2 GLU A 81 2.669 26.102 -23.219 1.00 0.00 O ATOM 0 H GLU A 81 2.776 24.255 -18.278 1.00 0.00 H new ATOM 0 HA GLU A 81 5.261 24.884 -19.625 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.584 26.291 -19.395 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.917 26.835 -20.394 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.856 24.572 -21.575 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.403 24.198 -20.668 1.00 0.00 H new ATOM 1328 N VAL A 82 6.188 26.697 -18.077 1.00 0.00 N ATOM 1329 CA VAL A 82 6.818 27.556 -17.082 1.00 0.00 C ATOM 1330 C VAL A 82 7.596 28.668 -17.786 1.00 0.00 C ATOM 1331 O VAL A 82 8.142 28.446 -18.865 1.00 0.00 O ATOM 1332 CB VAL A 82 7.697 26.726 -16.114 1.00 0.00 C ATOM 1333 CG1 VAL A 82 6.932 25.568 -15.453 1.00 0.00 C ATOM 1334 CG2 VAL A 82 8.966 26.143 -16.758 1.00 0.00 C ATOM 0 H VAL A 82 6.791 26.475 -18.869 1.00 0.00 H new ATOM 0 HA VAL A 82 6.053 28.029 -16.467 1.00 0.00 H new ATOM 0 HB VAL A 82 7.991 27.457 -15.361 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.601 25.024 -14.786 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.094 25.965 -14.881 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.558 24.893 -16.223 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.525 25.576 -16.013 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.687 25.484 -17.581 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.587 26.954 -17.138 1.00 0.00 H new ATOM 1344 N ALA A 83 7.684 29.850 -17.182 1.00 0.00 N ATOM 1345 CA ALA A 83 8.425 30.991 -17.705 1.00 0.00 C ATOM 1346 C ALA A 83 9.497 31.333 -16.679 1.00 0.00 C ATOM 1347 O ALA A 83 9.175 31.534 -15.508 1.00 0.00 O ATOM 1348 CB ALA A 83 7.469 32.167 -17.935 1.00 0.00 C ATOM 0 H ALA A 83 7.229 30.045 -16.290 1.00 0.00 H new ATOM 0 HA ALA A 83 8.890 30.764 -18.664 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.027 33.018 -18.326 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.701 31.877 -18.651 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.999 32.444 -16.991 1.00 0.00 H new ATOM 1354 N ASP A 84 10.766 31.348 -17.090 1.00 0.00 N ATOM 1355 CA ASP A 84 11.885 31.607 -16.182 1.00 0.00 C ATOM 1356 C ASP A 84 11.938 33.100 -15.874 1.00 0.00 C ATOM 1357 O ASP A 84 12.251 33.909 -16.752 1.00 0.00 O ATOM 1358 CB ASP A 84 13.210 31.097 -16.763 1.00 0.00 C ATOM 1359 CG ASP A 84 14.356 31.144 -15.736 1.00 0.00 C ATOM 1360 OD1 ASP A 84 14.408 32.072 -14.900 1.00 0.00 O ATOM 1361 OD2 ASP A 84 15.226 30.248 -15.799 1.00 0.00 O ATOM 0 H ASP A 84 11.046 31.182 -18.057 1.00 0.00 H new ATOM 0 HA ASP A 84 11.728 31.060 -15.253 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.080 30.073 -17.113 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.479 31.699 -17.631 1.00 0.00 H new ATOM 1366 N ILE A 85 11.592 33.457 -14.637 1.00 0.00 N ATOM 1367 CA ILE A 85 11.445 34.834 -14.180 1.00 0.00 C ATOM 1368 C ILE A 85 12.817 35.534 -14.174 1.00 0.00 C ATOM 1369 O ILE A 85 12.891 36.741 -14.411 1.00 0.00 O ATOM 1370 CB ILE A 85 10.758 34.851 -12.787 1.00 0.00 C ATOM 1371 CG1 ILE A 85 9.400 34.102 -12.794 1.00 0.00 C ATOM 1372 CG2 ILE A 85 10.517 36.288 -12.291 1.00 0.00 C ATOM 1373 CD1 ILE A 85 8.749 33.958 -11.409 1.00 0.00 C ATOM 0 H ILE A 85 11.401 32.773 -13.905 1.00 0.00 H new ATOM 0 HA ILE A 85 10.805 35.392 -14.864 1.00 0.00 H new ATOM 0 HB ILE A 85 11.445 34.339 -12.113 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.711 34.630 -13.453 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.549 33.109 -13.218 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.035 36.260 -11.314 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.471 36.810 -12.210 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.875 36.814 -12.997 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.804 33.423 -11.505 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.416 33.402 -10.750 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.565 34.947 -10.989 1.00 0.00 H new ATOM 1457 N VAL A 92 8.853 30.955 -22.673 1.00 0.00 N ATOM 1458 CA VAL A 92 8.193 29.869 -21.958 1.00 0.00 C ATOM 1459 C VAL A 92 8.828 28.535 -22.375 1.00 0.00 C ATOM 1460 O VAL A 92 9.276 28.358 -23.512 1.00 0.00 O ATOM 1461 CB VAL A 92 6.669 29.918 -22.237 1.00 0.00 C ATOM 1462 CG1 VAL A 92 5.869 28.936 -21.365 1.00 0.00 C ATOM 1463 CG2 VAL A 92 6.059 31.317 -22.021 1.00 0.00 C ATOM 0 HA VAL A 92 8.327 29.975 -20.881 1.00 0.00 H new ATOM 0 HB VAL A 92 6.589 29.637 -23.287 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.809 29.016 -21.606 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.209 27.918 -21.558 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.021 29.176 -20.313 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.990 31.285 -22.233 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.215 31.626 -20.988 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.540 32.031 -22.690 1.00 0.00 H new ATOM 1473 N TYR A 93 8.840 27.605 -21.427 1.00 0.00 N ATOM 1474 CA TYR A 93 9.444 26.283 -21.478 1.00 0.00 C ATOM 1475 C TYR A 93 8.423 25.277 -20.927 1.00 0.00 C ATOM 1476 O TYR A 93 7.327 25.665 -20.517 1.00 0.00 O ATOM 1477 CB TYR A 93 10.723 26.285 -20.615 1.00 0.00 C ATOM 1478 CG TYR A 93 11.687 27.434 -20.870 1.00 0.00 C ATOM 1479 CD1 TYR A 93 12.677 27.321 -21.866 1.00 0.00 C ATOM 1480 CD2 TYR A 93 11.593 28.615 -20.107 1.00 0.00 C ATOM 1481 CE1 TYR A 93 13.575 28.380 -22.094 1.00 0.00 C ATOM 1482 CE2 TYR A 93 12.482 29.682 -20.335 1.00 0.00 C ATOM 1483 CZ TYR A 93 13.483 29.565 -21.328 1.00 0.00 C ATOM 1484 OH TYR A 93 14.370 30.578 -21.544 1.00 0.00 O ATOM 0 H TYR A 93 8.389 27.773 -20.528 1.00 0.00 H new ATOM 0 HA TYR A 93 9.713 26.010 -22.498 1.00 0.00 H new ATOM 0 HB2 TYR A 93 10.431 26.306 -19.565 1.00 0.00 H new ATOM 0 HB3 TYR A 93 11.253 25.347 -20.780 1.00 0.00 H new ATOM 0 HD1 TYR A 93 12.747 26.419 -22.456 1.00 0.00 H new ATOM 0 HD2 TYR A 93 10.835 28.702 -19.343 1.00 0.00 H new ATOM 0 HE1 TYR A 93 14.336 28.288 -22.855 1.00 0.00 H new ATOM 0 HE2 TYR A 93 12.400 30.588 -19.753 1.00 0.00 H new ATOM 0 HH TYR A 93 14.171 31.322 -20.938 1.00 0.00 H new ATOM 1494 N THR A 94 8.795 24.000 -20.849 1.00 0.00 N ATOM 1495 CA THR A 94 7.984 22.972 -20.200 1.00 0.00 C ATOM 1496 C THR A 94 8.870 22.245 -19.188 1.00 0.00 C ATOM 1497 O THR A 94 10.039 21.961 -19.466 1.00 0.00 O ATOM 1498 CB THR A 94 7.349 22.018 -21.235 1.00 0.00 C ATOM 1499 OG1 THR A 94 6.933 22.711 -22.401 1.00 0.00 O ATOM 1500 CG2 THR A 94 6.116 21.303 -20.669 1.00 0.00 C ATOM 0 H THR A 94 9.671 23.648 -21.236 1.00 0.00 H new ATOM 0 HA THR A 94 7.144 23.425 -19.674 1.00 0.00 H new ATOM 0 HB THR A 94 8.125 21.294 -21.481 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.538 22.077 -23.035 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.699 20.641 -21.428 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.404 20.718 -19.796 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.368 22.041 -20.380 1.00 0.00 H new ATOM 1508 N ALA A 95 8.301 21.957 -18.019 1.00 0.00 N ATOM 1509 CA ALA A 95 8.948 21.294 -16.901 1.00 0.00 C ATOM 1510 C ALA A 95 8.066 20.130 -16.458 1.00 0.00 C ATOM 1511 O ALA A 95 6.864 20.110 -16.733 1.00 0.00 O ATOM 1512 CB ALA A 95 9.136 22.303 -15.761 1.00 0.00 C ATOM 0 H ALA A 95 7.329 22.193 -17.822 1.00 0.00 H new ATOM 0 HA ALA A 95 9.928 20.912 -17.187 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.621 21.812 -14.917 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.756 23.130 -16.106 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.164 22.684 -15.449 1.00 0.00 H new ATOM 1518 N LYS A 96 8.652 19.163 -15.752 1.00 0.00 N ATOM 1519 CA LYS A 96 7.878 18.123 -15.096 1.00 0.00 C ATOM 1520 C LYS A 96 7.300 18.752 -13.837 1.00 0.00 C ATOM 1521 O LYS A 96 8.012 19.464 -13.126 1.00 0.00 O ATOM 1522 CB LYS A 96 8.764 16.935 -14.680 1.00 0.00 C ATOM 1523 CG LYS A 96 9.273 16.003 -15.791 1.00 0.00 C ATOM 1524 CD LYS A 96 10.348 16.557 -16.744 1.00 0.00 C ATOM 1525 CE LYS A 96 11.663 17.043 -16.102 1.00 0.00 C ATOM 1526 NZ LYS A 96 12.353 16.019 -15.279 1.00 0.00 N ATOM 0 H LYS A 96 9.661 19.083 -15.623 1.00 0.00 H new ATOM 0 HA LYS A 96 7.113 17.747 -15.775 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.631 17.331 -14.151 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.203 16.332 -13.966 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.671 15.104 -15.320 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.417 15.696 -16.391 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.591 15.781 -17.470 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.914 17.388 -17.299 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.338 17.375 -16.891 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.451 17.911 -15.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.369 16.235 -15.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.958 16.023 -14.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.216 15.081 -15.706 1.00 0.00 H new ATOM 1540 N LEU A 97 6.055 18.434 -13.497 1.00 0.00 N ATOM 1541 CA LEU A 97 5.508 18.792 -12.189 1.00 0.00 C ATOM 1542 C LEU A 97 6.311 18.048 -11.109 1.00 0.00 C ATOM 1543 O LEU A 97 6.504 18.561 -10.010 1.00 0.00 O ATOM 1544 CB LEU A 97 4.018 18.425 -12.118 1.00 0.00 C ATOM 1545 CG LEU A 97 3.303 18.975 -10.866 1.00 0.00 C ATOM 1546 CD1 LEU A 97 3.247 20.509 -10.876 1.00 0.00 C ATOM 1547 CD2 LEU A 97 1.876 18.426 -10.817 1.00 0.00 C ATOM 0 H LEU A 97 5.407 17.932 -14.104 1.00 0.00 H new ATOM 0 HA LEU A 97 5.590 19.867 -12.027 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.517 18.805 -13.008 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.919 17.340 -12.135 1.00 0.00 H new ATOM 0 HG LEU A 97 3.868 18.658 -9.989 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.737 20.860 -9.979 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.260 20.910 -10.897 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.704 20.848 -11.759 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.368 18.812 -9.934 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.336 18.736 -11.711 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.906 17.337 -10.771 1.00 0.00 H new ATOM 1559 N SER A 98 6.851 16.877 -11.465 1.00 0.00 N ATOM 1560 CA SER A 98 7.778 16.080 -10.669 1.00 0.00 C ATOM 1561 C SER A 98 9.105 16.799 -10.359 1.00 0.00 C ATOM 1562 O SER A 98 9.891 16.296 -9.556 1.00 0.00 O ATOM 1563 CB SER A 98 8.025 14.765 -11.422 1.00 0.00 C ATOM 1564 OG SER A 98 6.787 14.116 -11.636 1.00 0.00 O ATOM 0 H SER A 98 6.639 16.441 -12.363 1.00 0.00 H new ATOM 0 HA SER A 98 7.326 15.897 -9.694 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.515 14.964 -12.375 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.692 14.122 -10.848 1.00 0.00 H new ATOM 0 HG SER A 98 6.725 13.831 -12.572 1.00 0.00 H new ATOM 1570 N ASP A 99 9.349 17.977 -10.946 1.00 0.00 N ATOM 1571 CA ASP A 99 10.561 18.773 -10.758 1.00 0.00 C ATOM 1572 C ASP A 99 10.191 20.160 -10.208 1.00 0.00 C ATOM 1573 O ASP A 99 11.045 21.040 -10.147 1.00 0.00 O ATOM 1574 CB ASP A 99 11.336 18.919 -12.088 1.00 0.00 C ATOM 1575 CG ASP A 99 12.120 17.696 -12.576 1.00 0.00 C ATOM 1576 OD1 ASP A 99 11.587 16.566 -12.628 1.00 0.00 O ATOM 1577 OD2 ASP A 99 13.252 17.904 -13.067 1.00 0.00 O ATOM 0 H ASP A 99 8.685 18.414 -11.585 1.00 0.00 H new ATOM 0 HA ASP A 99 11.205 18.261 -10.043 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.625 19.197 -12.865 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.035 19.749 -11.983 1.00 0.00 H new ATOM 1582 N ILE A 100 8.939 20.401 -9.811 1.00 0.00 N ATOM 1583 CA ILE A 100 8.455 21.721 -9.406 1.00 0.00 C ATOM 1584 C ILE A 100 8.107 21.696 -7.924 1.00 0.00 C ATOM 1585 O ILE A 100 7.636 20.696 -7.377 1.00 0.00 O ATOM 1586 CB ILE A 100 7.288 22.158 -10.330 1.00 0.00 C ATOM 1587 CG1 ILE A 100 7.875 22.777 -11.617 1.00 0.00 C ATOM 1588 CG2 ILE A 100 6.232 23.093 -9.700 1.00 0.00 C ATOM 1589 CD1 ILE A 100 8.231 24.266 -11.557 1.00 0.00 C ATOM 0 H ILE A 100 8.225 19.675 -9.762 1.00 0.00 H new ATOM 0 HA ILE A 100 9.229 22.479 -9.526 1.00 0.00 H new ATOM 0 HB ILE A 100 6.725 21.249 -10.543 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.774 22.221 -11.884 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.158 22.630 -12.425 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.468 23.330 -10.440 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.770 22.597 -8.847 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.713 24.013 -9.368 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.633 24.583 -12.519 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.336 24.845 -11.329 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.977 24.431 -10.780 1.00 0.00 H new ATOM 1601 N GLU A 101 8.322 22.848 -7.300 1.00 0.00 N ATOM 1602 CA GLU A 101 7.984 23.135 -5.917 1.00 0.00 C ATOM 1603 C GLU A 101 7.303 24.503 -5.934 1.00 0.00 C ATOM 1604 O GLU A 101 7.948 25.513 -6.215 1.00 0.00 O ATOM 1605 CB GLU A 101 9.266 23.107 -5.067 1.00 0.00 C ATOM 1606 CG GLU A 101 8.978 23.318 -3.575 1.00 0.00 C ATOM 1607 CD GLU A 101 10.275 23.353 -2.751 1.00 0.00 C ATOM 1608 OE1 GLU A 101 10.933 22.299 -2.596 1.00 0.00 O ATOM 1609 OE2 GLU A 101 10.645 24.431 -2.235 1.00 0.00 O ATOM 0 H GLU A 101 8.757 23.642 -7.769 1.00 0.00 H new ATOM 0 HA GLU A 101 7.313 22.400 -5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.771 22.151 -5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.948 23.882 -5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.433 24.252 -3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.335 22.517 -3.210 1.00 0.00 H new ATOM 1616 N ALA A 102 5.986 24.541 -5.722 1.00 0.00 N ATOM 1617 CA ALA A 102 5.236 25.790 -5.777 1.00 0.00 C ATOM 1618 C ALA A 102 5.613 26.699 -4.605 1.00 0.00 C ATOM 1619 O ALA A 102 5.986 26.234 -3.524 1.00 0.00 O ATOM 1620 CB ALA A 102 3.733 25.514 -5.766 1.00 0.00 C ATOM 0 H ALA A 102 5.420 23.719 -5.511 1.00 0.00 H new ATOM 0 HA ALA A 102 5.491 26.298 -6.707 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.189 26.458 -5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.469 24.905 -6.630 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.467 24.982 -4.852 1.00 0.00 H new ATOM 1626 N ILE A 103 5.454 28.002 -4.822 1.00 0.00 N ATOM 1627 CA ILE A 103 5.754 29.057 -3.865 1.00 0.00 C ATOM 1628 C ILE A 103 4.462 29.856 -3.654 1.00 0.00 C ATOM 1629 O ILE A 103 3.818 30.277 -4.616 1.00 0.00 O ATOM 1630 CB ILE A 103 6.922 29.923 -4.402 1.00 0.00 C ATOM 1631 CG1 ILE A 103 8.230 29.103 -4.537 1.00 0.00 C ATOM 1632 CG2 ILE A 103 7.178 31.143 -3.498 1.00 0.00 C ATOM 1633 CD1 ILE A 103 9.323 29.820 -5.342 1.00 0.00 C ATOM 0 H ILE A 103 5.098 28.364 -5.707 1.00 0.00 H new ATOM 0 HA ILE A 103 6.082 28.663 -2.903 1.00 0.00 H new ATOM 0 HB ILE A 103 6.622 30.268 -5.391 1.00 0.00 H new ATOM 0 HG12 ILE A 103 8.612 28.877 -3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.004 28.150 -5.015 1.00 0.00 H new ATOM 0 HG21 ILE A 103 8.003 31.729 -3.903 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.280 31.760 -3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.432 30.805 -2.493 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.209 29.188 -5.396 1.00 0.00 H new ATOM 0 HD12 ILE A 103 8.960 30.022 -6.350 1.00 0.00 H new ATOM 0 HD13 ILE A 103 9.577 30.760 -4.853 1.00 0.00 H new ATOM 1645 N ASP A 104 4.124 30.093 -2.381 1.00 0.00 N ATOM 1646 CA ASP A 104 3.017 30.946 -1.930 1.00 0.00 C ATOM 1647 C ASP A 104 1.665 30.623 -2.597 1.00 0.00 C ATOM 1648 O ASP A 104 0.871 31.515 -2.906 1.00 0.00 O ATOM 1649 CB ASP A 104 3.427 32.427 -2.027 1.00 0.00 C ATOM 1650 CG ASP A 104 2.424 33.371 -1.336 1.00 0.00 C ATOM 1651 OD1 ASP A 104 2.016 33.101 -0.183 1.00 0.00 O ATOM 1652 OD2 ASP A 104 2.088 34.431 -1.913 1.00 0.00 O ATOM 0 H ASP A 104 4.637 29.678 -1.603 1.00 0.00 H new ATOM 0 HA ASP A 104 2.830 30.722 -0.880 1.00 0.00 H new ATOM 0 HB2 ASP A 104 4.411 32.557 -1.576 1.00 0.00 H new ATOM 0 HB3 ASP A 104 3.518 32.706 -3.077 1.00 0.00 H new ATOM 1657 N VAL A 105 1.401 29.335 -2.842 1.00 0.00 N ATOM 1658 CA VAL A 105 0.104 28.859 -3.327 1.00 0.00 C ATOM 1659 C VAL A 105 -0.823 28.538 -2.147 1.00 0.00 C ATOM 1660 O VAL A 105 -0.404 28.548 -0.984 1.00 0.00 O ATOM 1661 CB VAL A 105 0.279 27.652 -4.270 1.00 0.00 C ATOM 1662 CG1 VAL A 105 0.970 28.086 -5.565 1.00 0.00 C ATOM 1663 CG2 VAL A 105 0.993 26.458 -3.620 1.00 0.00 C ATOM 0 H VAL A 105 2.086 28.591 -2.708 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.366 29.652 -3.908 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.722 27.292 -4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.087 27.224 -6.221 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.365 28.843 -6.064 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.951 28.501 -5.333 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.079 25.648 -4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.988 26.762 -3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.419 26.116 -2.759 1.00 0.00 H new ATOM 1673 N ASP A 106 -2.089 28.246 -2.445 1.00 0.00 N ATOM 1674 CA ASP A 106 -3.046 27.717 -1.485 1.00 0.00 C ATOM 1675 C ASP A 106 -2.686 26.274 -1.128 1.00 0.00 C ATOM 1676 O ASP A 106 -1.943 25.587 -1.836 1.00 0.00 O ATOM 1677 CB ASP A 106 -4.467 27.750 -2.063 1.00 0.00 C ATOM 1678 CG ASP A 106 -5.541 27.480 -1.002 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -5.840 28.388 -0.194 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -6.061 26.345 -0.955 1.00 0.00 O ATOM 0 H ASP A 106 -2.481 28.374 -3.378 1.00 0.00 H new ATOM 0 HA ASP A 106 -3.009 28.339 -0.591 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.648 28.724 -2.518 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.550 27.007 -2.856 1.00 0.00 H new ATOM 1685 N ASP A 107 -3.287 25.804 -0.043 1.00 0.00 N ATOM 1686 CA ASP A 107 -3.170 24.438 0.447 1.00 0.00 C ATOM 1687 C ASP A 107 -3.645 23.436 -0.599 1.00 0.00 C ATOM 1688 O ASP A 107 -3.046 22.374 -0.713 1.00 0.00 O ATOM 1689 CB ASP A 107 -3.986 24.284 1.733 1.00 0.00 C ATOM 1690 CG ASP A 107 -3.934 22.842 2.264 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -2.892 22.444 2.833 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -4.957 22.126 2.178 1.00 0.00 O ATOM 0 H ASP A 107 -3.890 26.384 0.540 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.120 24.233 0.654 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -3.603 24.966 2.492 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -5.022 24.566 1.544 1.00 0.00 H new ATOM 1697 N ASP A 108 -4.672 23.758 -1.392 1.00 0.00 N ATOM 1698 CA ASP A 108 -5.244 22.803 -2.340 1.00 0.00 C ATOM 1699 C ASP A 108 -4.288 22.553 -3.514 1.00 0.00 C ATOM 1700 O ASP A 108 -4.060 21.406 -3.901 1.00 0.00 O ATOM 1701 CB ASP A 108 -6.613 23.304 -2.825 1.00 0.00 C ATOM 1702 CG ASP A 108 -7.546 22.190 -3.333 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -7.398 21.011 -2.942 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -8.504 22.517 -4.071 1.00 0.00 O ATOM 0 H ASP A 108 -5.123 24.673 -1.394 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.388 21.848 -1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -7.105 23.831 -2.008 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.460 24.028 -3.625 1.00 0.00 H new ATOM 1709 N THR A 109 -3.655 23.612 -4.036 1.00 0.00 N ATOM 1710 CA THR A 109 -2.620 23.517 -5.061 1.00 0.00 C ATOM 1711 C THR A 109 -1.423 22.766 -4.475 1.00 0.00 C ATOM 1712 O THR A 109 -0.925 21.822 -5.094 1.00 0.00 O ATOM 1713 CB THR A 109 -2.254 24.951 -5.490 1.00 0.00 C ATOM 1714 OG1 THR A 109 -3.409 25.614 -5.956 1.00 0.00 O ATOM 1715 CG2 THR A 109 -1.196 25.048 -6.594 1.00 0.00 C ATOM 0 H THR A 109 -3.854 24.571 -3.750 1.00 0.00 H new ATOM 0 HA THR A 109 -2.959 22.967 -5.939 1.00 0.00 H new ATOM 0 HB THR A 109 -1.831 25.411 -4.597 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.561 26.421 -5.421 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.007 26.096 -6.826 1.00 0.00 H new ATOM 0 HG22 THR A 109 -0.272 24.579 -6.255 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.555 24.538 -7.488 1.00 0.00 H new ATOM 1723 N GLN A 110 -0.982 23.142 -3.269 1.00 0.00 N ATOM 1724 CA GLN A 110 0.176 22.530 -2.646 1.00 0.00 C ATOM 1725 C GLN A 110 -0.061 21.042 -2.377 1.00 0.00 C ATOM 1726 O GLN A 110 0.865 20.251 -2.549 1.00 0.00 O ATOM 1727 CB GLN A 110 0.536 23.301 -1.370 1.00 0.00 C ATOM 1728 CG GLN A 110 1.849 22.852 -0.723 1.00 0.00 C ATOM 1729 CD GLN A 110 3.056 22.882 -1.665 1.00 0.00 C ATOM 1730 OE1 GLN A 110 3.756 23.884 -1.774 1.00 0.00 O ATOM 1731 NE2 GLN A 110 3.327 21.787 -2.362 1.00 0.00 N ATOM 0 H GLN A 110 -1.420 23.874 -2.709 1.00 0.00 H new ATOM 0 HA GLN A 110 1.024 22.586 -3.328 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.603 24.363 -1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -0.272 23.185 -0.647 1.00 0.00 H new ATOM 0 HG2 GLN A 110 2.056 23.492 0.135 1.00 0.00 H new ATOM 0 HG3 GLN A 110 1.725 21.838 -0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 110 2.738 20.960 -2.263 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.125 21.771 -2.997 1.00 0.00 H new ATOM 1740 N GLU A 111 -1.274 20.648 -1.993 1.00 0.00 N ATOM 1741 CA GLU A 111 -1.624 19.256 -1.766 1.00 0.00 C ATOM 1742 C GLU A 111 -1.619 18.481 -3.066 1.00 0.00 C ATOM 1743 O GLU A 111 -1.096 17.377 -3.077 1.00 0.00 O ATOM 1744 CB GLU A 111 -3.001 19.127 -1.098 1.00 0.00 C ATOM 1745 CG GLU A 111 -2.863 19.136 0.425 1.00 0.00 C ATOM 1746 CD GLU A 111 -2.243 17.821 0.938 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -2.865 16.747 0.778 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -1.116 17.819 1.480 1.00 0.00 O ATOM 0 H GLU A 111 -2.045 21.296 -1.831 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.872 18.839 -1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.644 19.948 -1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.482 18.203 -1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.242 19.978 0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.843 19.281 0.880 1.00 0.00 H new ATOM 1755 N ALA A 112 -2.144 19.036 -4.157 1.00 0.00 N ATOM 1756 CA ALA A 112 -2.123 18.347 -5.447 1.00 0.00 C ATOM 1757 C ALA A 112 -0.683 18.013 -5.859 1.00 0.00 C ATOM 1758 O ALA A 112 -0.398 16.894 -6.291 1.00 0.00 O ATOM 1759 CB ALA A 112 -2.813 19.209 -6.505 1.00 0.00 C ATOM 0 H ALA A 112 -2.587 19.955 -4.175 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.667 17.407 -5.357 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.795 18.692 -7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.847 19.390 -6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.290 20.161 -6.596 1.00 0.00 H new ATOM 1765 N ILE A 113 0.227 18.974 -5.684 1.00 0.00 N ATOM 1766 CA ILE A 113 1.645 18.808 -5.981 1.00 0.00 C ATOM 1767 C ILE A 113 2.241 17.766 -5.033 1.00 0.00 C ATOM 1768 O ILE A 113 2.866 16.809 -5.485 1.00 0.00 O ATOM 1769 CB ILE A 113 2.353 20.172 -5.849 1.00 0.00 C ATOM 1770 CG1 ILE A 113 1.834 21.159 -6.914 1.00 0.00 C ATOM 1771 CG2 ILE A 113 3.884 20.039 -5.949 1.00 0.00 C ATOM 1772 CD1 ILE A 113 2.014 22.605 -6.465 1.00 0.00 C ATOM 0 H ILE A 113 -0.007 19.900 -5.327 1.00 0.00 H new ATOM 0 HA ILE A 113 1.784 18.452 -7.002 1.00 0.00 H new ATOM 0 HB ILE A 113 2.119 20.561 -4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 113 2.366 20.998 -7.852 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.779 20.965 -7.109 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.342 21.023 -5.851 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.246 19.389 -5.152 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.150 19.610 -6.915 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.638 23.275 -7.238 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.461 22.771 -5.541 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.072 22.804 -6.295 1.00 0.00 H new ATOM 1784 N ALA A 114 2.062 17.945 -3.724 1.00 0.00 N ATOM 1785 CA ALA A 114 2.665 17.078 -2.723 1.00 0.00 C ATOM 1786 C ALA A 114 2.191 15.634 -2.907 1.00 0.00 C ATOM 1787 O ALA A 114 3.010 14.724 -2.955 1.00 0.00 O ATOM 1788 CB ALA A 114 2.339 17.601 -1.320 1.00 0.00 C ATOM 0 H ALA A 114 1.494 18.696 -3.332 1.00 0.00 H new ATOM 0 HA ALA A 114 3.748 17.085 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.793 16.949 -0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.734 18.611 -1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 114 1.258 17.616 -1.179 1.00 0.00 H new ATOM 1794 N ASP A 115 0.886 15.423 -3.071 1.00 0.00 N ATOM 1795 CA ASP A 115 0.262 14.114 -3.268 1.00 0.00 C ATOM 1796 C ASP A 115 0.837 13.412 -4.500 1.00 0.00 C ATOM 1797 O ASP A 115 1.124 12.213 -4.462 1.00 0.00 O ATOM 1798 CB ASP A 115 -1.258 14.292 -3.379 1.00 0.00 C ATOM 1799 CG ASP A 115 -2.014 12.991 -3.107 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -2.285 12.235 -4.059 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -2.370 12.780 -1.923 1.00 0.00 O ATOM 0 H ASP A 115 0.209 16.186 -3.070 1.00 0.00 H new ATOM 0 HA ASP A 115 0.479 13.477 -2.411 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.585 15.055 -2.672 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.508 14.653 -4.377 1.00 0.00 H new ATOM 1806 N TRP A 116 1.101 14.182 -5.560 1.00 0.00 N ATOM 1807 CA TRP A 116 1.748 13.680 -6.767 1.00 0.00 C ATOM 1808 C TRP A 116 3.207 13.297 -6.487 1.00 0.00 C ATOM 1809 O TRP A 116 3.664 12.249 -6.942 1.00 0.00 O ATOM 1810 CB TRP A 116 1.650 14.723 -7.891 1.00 0.00 C ATOM 1811 CG TRP A 116 2.469 14.407 -9.102 1.00 0.00 C ATOM 1812 CD1 TRP A 116 3.660 14.968 -9.415 1.00 0.00 C ATOM 1813 CD2 TRP A 116 2.226 13.394 -10.124 1.00 0.00 C ATOM 1814 NE1 TRP A 116 4.165 14.374 -10.552 1.00 0.00 N ATOM 1815 CE2 TRP A 116 3.310 13.415 -11.047 1.00 0.00 C ATOM 1816 CE3 TRP A 116 1.218 12.435 -10.349 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 3.367 12.555 -12.151 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 1.263 11.565 -11.455 1.00 0.00 C ATOM 1819 CH2 TRP A 116 2.338 11.623 -12.358 1.00 0.00 C ATOM 0 H TRP A 116 0.869 15.175 -5.601 1.00 0.00 H new ATOM 0 HA TRP A 116 1.230 12.778 -7.092 1.00 0.00 H new ATOM 0 HB2 TRP A 116 0.606 14.821 -8.189 1.00 0.00 H new ATOM 0 HB3 TRP A 116 1.962 15.691 -7.499 1.00 0.00 H new ATOM 0 HD1 TRP A 116 4.141 15.759 -8.859 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.062 14.615 -10.974 1.00 0.00 H new ATOM 0 HE3 TRP A 116 0.392 12.366 -9.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 4.198 12.609 -12.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 0.468 10.850 -11.610 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.372 10.955 -13.206 1.00 0.00 H new ATOM 1830 N LEU A 117 3.943 14.106 -5.720 1.00 0.00 N ATOM 1831 CA LEU A 117 5.328 13.810 -5.361 1.00 0.00 C ATOM 1832 C LEU A 117 5.413 12.584 -4.442 1.00 0.00 C ATOM 1833 O LEU A 117 6.372 11.819 -4.546 1.00 0.00 O ATOM 1834 CB LEU A 117 6.002 15.034 -4.716 1.00 0.00 C ATOM 1835 CG LEU A 117 6.222 16.217 -5.683 1.00 0.00 C ATOM 1836 CD1 LEU A 117 6.691 17.445 -4.896 1.00 0.00 C ATOM 1837 CD2 LEU A 117 7.240 15.898 -6.785 1.00 0.00 C ATOM 0 H LEU A 117 3.594 14.983 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 117 5.868 13.574 -6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.391 15.372 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.965 14.730 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 117 5.267 16.416 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.846 18.279 -5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.934 17.716 -4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.627 17.215 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.355 16.765 -7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.201 15.653 -6.333 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.888 15.049 -7.371 1.00 0.00 H new ATOM 1849 N TYR A 118 4.420 12.340 -3.581 1.00 0.00 N ATOM 1850 CA TYR A 118 4.367 11.094 -2.825 1.00 0.00 C ATOM 1851 C TYR A 118 4.112 9.918 -3.765 1.00 0.00 C ATOM 1852 O TYR A 118 4.778 8.903 -3.618 1.00 0.00 O ATOM 1853 CB TYR A 118 3.336 11.140 -1.692 1.00 0.00 C ATOM 1854 CG TYR A 118 3.673 12.132 -0.594 1.00 0.00 C ATOM 1855 CD1 TYR A 118 4.804 11.949 0.226 1.00 0.00 C ATOM 1856 CD2 TYR A 118 2.863 13.262 -0.406 1.00 0.00 C ATOM 1857 CE1 TYR A 118 5.130 12.905 1.206 1.00 0.00 C ATOM 1858 CE2 TYR A 118 3.187 14.234 0.548 1.00 0.00 C ATOM 1859 CZ TYR A 118 4.326 14.060 1.366 1.00 0.00 C ATOM 1860 OH TYR A 118 4.635 15.007 2.297 1.00 0.00 O ATOM 0 H TYR A 118 3.651 12.984 -3.394 1.00 0.00 H new ATOM 0 HA TYR A 118 5.337 10.956 -2.348 1.00 0.00 H new ATOM 0 HB2 TYR A 118 2.362 11.393 -2.110 1.00 0.00 H new ATOM 0 HB3 TYR A 118 3.246 10.146 -1.255 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.423 11.072 0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 118 1.974 13.384 -1.008 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.994 12.758 1.837 1.00 0.00 H new ATOM 0 HE2 TYR A 118 2.569 15.113 0.658 1.00 0.00 H new ATOM 0 HH TYR A 118 3.972 15.728 2.262 1.00 0.00 H new ATOM 1870 N TRP A 119 3.233 10.039 -4.766 1.00 0.00 N ATOM 1871 CA TRP A 119 3.036 9.000 -5.783 1.00 0.00 C ATOM 1872 C TRP A 119 4.315 8.740 -6.594 1.00 0.00 C ATOM 1873 O TRP A 119 4.625 7.587 -6.904 1.00 0.00 O ATOM 1874 CB TRP A 119 1.832 9.369 -6.661 1.00 0.00 C ATOM 1875 CG TRP A 119 1.816 8.881 -8.081 1.00 0.00 C ATOM 1876 CD1 TRP A 119 2.603 9.351 -9.076 1.00 0.00 C ATOM 1877 CD2 TRP A 119 0.931 7.905 -8.717 1.00 0.00 C ATOM 1878 NE1 TRP A 119 2.321 8.693 -10.249 1.00 0.00 N ATOM 1879 CE2 TRP A 119 1.263 7.832 -10.101 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -0.137 7.093 -8.282 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 0.577 7.005 -10.997 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.886 6.319 -9.188 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.536 6.277 -10.549 1.00 0.00 C ATOM 0 H TRP A 119 2.639 10.858 -4.894 1.00 0.00 H new ATOM 0 HA TRP A 119 2.815 8.054 -5.289 1.00 0.00 H new ATOM 0 HB2 TRP A 119 0.934 8.995 -6.170 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.755 10.456 -6.681 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.344 10.129 -8.965 1.00 0.00 H new ATOM 0 HE1 TRP A 119 2.834 8.828 -11.120 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -0.385 7.065 -7.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.901 6.928 -12.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.736 5.753 -8.835 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.118 5.690 -11.243 1.00 0.00 H new ATOM 1894 N LEU A 120 5.091 9.784 -6.901 1.00 0.00 N ATOM 1895 CA LEU A 120 6.390 9.659 -7.552 1.00 0.00 C ATOM 1896 C LEU A 120 7.316 8.810 -6.677 1.00 0.00 C ATOM 1897 O LEU A 120 7.902 7.847 -7.170 1.00 0.00 O ATOM 1898 CB LEU A 120 6.933 11.074 -7.824 1.00 0.00 C ATOM 1899 CG LEU A 120 8.370 11.183 -8.365 1.00 0.00 C ATOM 1900 CD1 LEU A 120 8.522 10.603 -9.773 1.00 0.00 C ATOM 1901 CD2 LEU A 120 8.747 12.668 -8.392 1.00 0.00 C ATOM 0 H LEU A 120 4.828 10.749 -6.700 1.00 0.00 H new ATOM 0 HA LEU A 120 6.314 9.146 -8.511 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.266 11.561 -8.536 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.878 11.642 -6.895 1.00 0.00 H new ATOM 0 HG LEU A 120 9.025 10.605 -7.713 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.556 10.709 -10.100 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.251 9.547 -9.763 1.00 0.00 H new ATOM 0 HD13 LEU A 120 7.867 11.139 -10.460 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.763 12.779 -8.772 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.056 13.207 -9.041 1.00 0.00 H new ATOM 0 HD23 LEU A 120 8.690 13.076 -7.383 1.00 0.00 H new ATOM 1913 N ALA A 121 7.379 9.092 -5.369 1.00 0.00 N ATOM 1914 CA ALA A 121 8.107 8.258 -4.416 1.00 0.00 C ATOM 1915 C ALA A 121 7.483 6.861 -4.264 1.00 0.00 C ATOM 1916 O ALA A 121 8.200 5.910 -3.971 1.00 0.00 O ATOM 1917 CB ALA A 121 8.189 8.964 -3.057 1.00 0.00 C ATOM 0 H ALA A 121 6.927 9.903 -4.947 1.00 0.00 H new ATOM 0 HA ALA A 121 9.113 8.113 -4.809 1.00 0.00 H new ATOM 0 HB1 ALA A 121 8.733 8.335 -2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 121 8.709 9.915 -3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 121 7.183 9.145 -2.679 1.00 0.00 H new ATOM 1923 N ARG A 122 6.171 6.702 -4.470 1.00 0.00 N ATOM 1924 CA ARG A 122 5.454 5.421 -4.402 1.00 0.00 C ATOM 1925 C ARG A 122 5.787 4.534 -5.610 1.00 0.00 C ATOM 1926 O ARG A 122 5.386 3.372 -5.638 1.00 0.00 O ATOM 1927 CB ARG A 122 3.935 5.689 -4.311 1.00 0.00 C ATOM 1928 CG ARG A 122 3.072 4.607 -3.638 1.00 0.00 C ATOM 1929 CD ARG A 122 3.234 4.551 -2.108 1.00 0.00 C ATOM 1930 NE ARG A 122 4.281 3.613 -1.667 1.00 0.00 N ATOM 1931 CZ ARG A 122 4.188 2.277 -1.636 1.00 0.00 C ATOM 1932 NH1 ARG A 122 3.077 1.644 -2.008 1.00 0.00 N ATOM 1933 NH2 ARG A 122 5.239 1.584 -1.213 1.00 0.00 N ATOM 0 H ARG A 122 5.558 7.485 -4.696 1.00 0.00 H new ATOM 0 HA ARG A 122 5.775 4.883 -3.510 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.788 6.624 -3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 122 3.557 5.843 -5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 122 2.024 4.789 -3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 122 3.331 3.635 -4.058 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.470 5.549 -1.738 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.284 4.261 -1.659 1.00 0.00 H new ATOM 0 HE ARG A 122 5.162 4.021 -1.355 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.268 2.178 -2.327 1.00 0.00 H new ATOM 0 HH12 ARG A 122 3.035 0.625 -1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 122 6.087 2.070 -0.923 1.00 0.00 H new ATOM 0 HH22 ARG A 122 5.198 0.565 -1.178 1.00 0.00 H new