USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 412 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 Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -89:sc= 0.11 USER MOD Single : A 27 GLN : amide:sc= 1 K(o=1,f=-2.5!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.62 K(o=-0.62,f=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 9:sc= -1.08! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 209 N GLY A 17 8.054 1.372 3.318 1.00 0.00 N ATOM 210 CA GLY A 17 7.262 2.066 4.316 1.00 0.00 C ATOM 211 C GLY A 17 6.020 1.293 4.712 1.00 0.00 C ATOM 212 O GLY A 17 6.027 0.062 4.729 1.00 0.00 O ATOM 0 HA2 GLY A 17 7.873 2.243 5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.970 3.042 3.929 1.00 0.00 H new ATOM 216 N ILE A 18 4.952 2.015 5.032 1.00 0.00 N ATOM 217 CA ILE A 18 3.698 1.389 5.430 1.00 0.00 C ATOM 218 C ILE A 18 3.009 0.732 4.239 1.00 0.00 C ATOM 219 O ILE A 18 2.811 1.359 3.198 1.00 0.00 O ATOM 220 CB ILE A 18 2.736 2.409 6.067 1.00 0.00 C ATOM 221 CG1 ILE A 18 3.354 3.003 7.334 1.00 0.00 C ATOM 222 CG2 ILE A 18 1.400 1.753 6.381 1.00 0.00 C ATOM 223 CD1 ILE A 18 2.592 4.191 7.878 1.00 0.00 C ATOM 0 H ILE A 18 4.930 3.035 5.023 1.00 0.00 H new ATOM 0 HA ILE A 18 3.947 0.627 6.169 1.00 0.00 H new ATOM 0 HB ILE A 18 2.564 3.217 5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.403 2.230 8.101 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.379 3.306 7.121 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.731 2.487 6.831 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.956 1.373 5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.554 0.928 7.077 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.087 4.560 8.776 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.565 4.981 7.127 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.574 3.889 8.123 1.00 0.00 H new ATOM 235 N THR A 19 2.642 -0.536 4.399 1.00 0.00 N ATOM 236 CA THR A 19 1.974 -1.278 3.338 1.00 0.00 C ATOM 237 C THR A 19 0.547 -1.639 3.734 1.00 0.00 C ATOM 238 O THR A 19 0.204 -1.650 4.916 1.00 0.00 O ATOM 239 CB THR A 19 2.739 -2.568 2.987 1.00 0.00 C ATOM 240 OG1 THR A 19 2.903 -3.375 4.158 1.00 0.00 O ATOM 241 CG2 THR A 19 4.102 -2.244 2.394 1.00 0.00 C ATOM 0 H THR A 19 2.797 -1.070 5.254 1.00 0.00 H new ATOM 0 HA THR A 19 1.952 -0.628 2.463 1.00 0.00 H new ATOM 0 HB THR A 19 2.159 -3.118 2.246 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.389 -4.194 3.926 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.624 -3.170 2.154 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.973 -1.654 1.486 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.687 -1.675 3.116 1.00 0.00 H new ATOM 249 N ALA A 20 -0.282 -1.936 2.738 1.00 0.00 N ATOM 250 CA ALA A 20 -1.672 -2.301 2.983 1.00 0.00 C ATOM 251 C ALA A 20 -2.218 -3.171 1.856 1.00 0.00 C ATOM 252 O ALA A 20 -1.649 -3.222 0.766 1.00 0.00 O ATOM 253 CB ALA A 20 -2.524 -1.052 3.149 1.00 0.00 C ATOM 0 H ALA A 20 -0.015 -1.931 1.754 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.713 -2.880 3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.559 -1.339 3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.155 -0.469 3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.469 -0.451 2.242 1.00 0.00 H new ATOM 259 N VAL A 21 -3.325 -3.855 2.126 1.00 0.00 N ATOM 260 CA VAL A 21 -3.949 -4.722 1.134 1.00 0.00 C ATOM 261 C VAL A 21 -5.390 -4.302 0.865 1.00 0.00 C ATOM 262 O VAL A 21 -6.147 -4.015 1.791 1.00 0.00 O ATOM 263 CB VAL A 21 -3.932 -6.195 1.586 1.00 0.00 C ATOM 264 CG1 VAL A 21 -4.912 -6.415 2.728 1.00 0.00 C ATOM 265 CG2 VAL A 21 -4.248 -7.115 0.417 1.00 0.00 C ATOM 0 H VAL A 21 -3.808 -3.825 3.024 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.367 -4.623 0.217 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.932 -6.434 1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.886 -7.461 3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.635 -5.783 3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.919 -6.158 2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.232 -8.151 0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.236 -6.877 0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.503 -6.977 -0.366 1.00 0.00 H new ATOM 275 N ALA A 22 -5.761 -4.269 -0.411 1.00 0.00 N ATOM 276 CA ALA A 22 -7.112 -3.886 -0.803 1.00 0.00 C ATOM 277 C ALA A 22 -8.120 -4.965 -0.423 1.00 0.00 C ATOM 278 O ALA A 22 -7.797 -6.154 -0.408 1.00 0.00 O ATOM 279 CB ALA A 22 -7.169 -3.610 -2.298 1.00 0.00 C ATOM 0 H ALA A 22 -5.146 -4.503 -1.190 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.375 -2.975 -0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.183 -3.325 -2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.484 -2.799 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.881 -4.508 -2.845 1.00 0.00 H new ATOM 285 N LEU A 23 -9.343 -4.544 -0.117 1.00 0.00 N ATOM 286 CA LEU A 23 -10.399 -5.476 0.264 1.00 0.00 C ATOM 287 C LEU A 23 -11.427 -5.619 -0.854 1.00 0.00 C ATOM 288 O LEU A 23 -12.029 -6.680 -1.025 1.00 0.00 O ATOM 289 CB LEU A 23 -11.086 -5.002 1.546 1.00 0.00 C ATOM 290 CG LEU A 23 -10.173 -4.770 2.750 1.00 0.00 C ATOM 291 CD1 LEU A 23 -10.923 -4.045 3.857 1.00 0.00 C ATOM 292 CD2 LEU A 23 -9.614 -6.091 3.258 1.00 0.00 C ATOM 0 H LEU A 23 -9.627 -3.564 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.944 -6.450 0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.612 -4.072 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.840 -5.738 1.824 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.339 -4.143 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.257 -3.889 4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.273 -3.081 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.777 -4.645 4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.966 -5.906 4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.435 -6.743 3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.040 -6.572 2.466 1.00 0.00 H new ATOM 304 N TYR A 24 -11.621 -4.547 -1.614 1.00 0.00 N ATOM 305 CA TYR A 24 -12.576 -4.554 -2.716 1.00 0.00 C ATOM 306 C TYR A 24 -12.057 -3.730 -3.891 1.00 0.00 C ATOM 307 O TYR A 24 -11.321 -2.761 -3.707 1.00 0.00 O ATOM 308 CB TYR A 24 -13.926 -4.006 -2.251 1.00 0.00 C ATOM 309 CG TYR A 24 -14.351 -4.515 -0.892 1.00 0.00 C ATOM 310 CD1 TYR A 24 -13.839 -3.955 0.272 1.00 0.00 C ATOM 311 CD2 TYR A 24 -15.263 -5.556 -0.772 1.00 0.00 C ATOM 312 CE1 TYR A 24 -14.223 -4.418 1.516 1.00 0.00 C ATOM 313 CE2 TYR A 24 -15.654 -6.024 0.467 1.00 0.00 C ATOM 314 CZ TYR A 24 -15.132 -5.452 1.608 1.00 0.00 C ATOM 315 OH TYR A 24 -15.518 -5.915 2.845 1.00 0.00 O ATOM 0 H TYR A 24 -11.130 -3.662 -1.487 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.704 -5.585 -3.047 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.876 -2.917 -2.223 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.688 -4.271 -2.984 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.129 -3.144 0.203 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.673 -6.007 -1.663 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -13.814 -3.973 2.411 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.365 -6.834 0.542 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.163 -6.644 2.735 1.00 0.00 H new ATOM 325 N ASP A 25 -12.448 -4.123 -5.098 1.00 0.00 N ATOM 326 CA ASP A 25 -12.025 -3.421 -6.305 1.00 0.00 C ATOM 327 C ASP A 25 -12.477 -1.965 -6.273 1.00 0.00 C ATOM 328 O ASP A 25 -13.647 -1.672 -6.023 1.00 0.00 O ATOM 329 CB ASP A 25 -12.587 -4.115 -7.547 1.00 0.00 C ATOM 330 CG ASP A 25 -14.086 -3.935 -7.683 1.00 0.00 C ATOM 331 OD1 ASP A 25 -14.509 -2.931 -8.292 1.00 0.00 O ATOM 332 OD2 ASP A 25 -14.836 -4.798 -7.180 1.00 0.00 O ATOM 0 H ASP A 25 -13.057 -4.924 -5.267 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.936 -3.444 -6.347 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.095 -3.719 -8.435 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.355 -5.179 -7.501 1.00 0.00 H new ATOM 337 N TYR A 26 -11.543 -1.055 -6.525 1.00 0.00 N ATOM 338 CA TYR A 26 -11.843 0.371 -6.522 1.00 0.00 C ATOM 339 C TYR A 26 -11.584 0.986 -7.894 1.00 0.00 C ATOM 340 O TYR A 26 -10.809 0.453 -8.688 1.00 0.00 O ATOM 341 CB TYR A 26 -11.005 1.088 -5.463 1.00 0.00 C ATOM 342 CG TYR A 26 -11.596 2.405 -5.011 1.00 0.00 C ATOM 343 CD1 TYR A 26 -11.358 3.576 -5.720 1.00 0.00 C ATOM 344 CD2 TYR A 26 -12.395 2.477 -3.876 1.00 0.00 C ATOM 345 CE1 TYR A 26 -11.895 4.780 -5.310 1.00 0.00 C ATOM 346 CE2 TYR A 26 -12.938 3.677 -3.460 1.00 0.00 C ATOM 347 CZ TYR A 26 -12.685 4.826 -4.180 1.00 0.00 C ATOM 348 OH TYR A 26 -13.223 6.024 -3.770 1.00 0.00 O ATOM 0 H TYR A 26 -10.570 -1.280 -6.734 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.900 0.493 -6.283 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.892 0.435 -4.598 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.006 1.266 -5.861 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.742 3.544 -6.607 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.595 1.579 -3.310 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.698 5.681 -5.871 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.557 3.715 -2.576 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.596 6.474 -3.166 1.00 0.00 H new ATOM 358 N GLN A 27 -12.238 2.111 -8.164 1.00 0.00 N ATOM 359 CA GLN A 27 -12.079 2.799 -9.440 1.00 0.00 C ATOM 360 C GLN A 27 -11.872 4.296 -9.229 1.00 0.00 C ATOM 361 O GLN A 27 -12.828 5.040 -9.017 1.00 0.00 O ATOM 362 CB GLN A 27 -13.301 2.561 -10.328 1.00 0.00 C ATOM 363 CG GLN A 27 -13.419 1.132 -10.830 1.00 0.00 C ATOM 364 CD GLN A 27 -14.190 0.240 -9.877 1.00 0.00 C ATOM 365 OE1 GLN A 27 -14.754 0.709 -8.888 1.00 0.00 O ATOM 366 NE2 GLN A 27 -14.219 -1.055 -10.170 1.00 0.00 N ATOM 0 H GLN A 27 -12.882 2.565 -7.517 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.196 2.395 -9.935 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.201 2.816 -9.769 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.255 3.235 -11.183 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.913 1.132 -11.802 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.421 0.720 -10.980 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.738 -1.401 -11.000 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.723 -1.704 -9.565 1.00 0.00 H new ATOM 375 N ALA A 28 -10.617 4.729 -9.288 1.00 0.00 N ATOM 376 CA ALA A 28 -10.285 6.136 -9.106 1.00 0.00 C ATOM 377 C ALA A 28 -11.318 7.035 -9.778 1.00 0.00 C ATOM 378 O ALA A 28 -11.512 6.974 -10.991 1.00 0.00 O ATOM 379 CB ALA A 28 -8.895 6.426 -9.652 1.00 0.00 C ATOM 0 H ALA A 28 -9.813 4.125 -9.461 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.295 6.351 -8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.661 7.481 -9.509 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.162 5.817 -9.123 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.865 6.189 -10.715 1.00 0.00 H new ATOM 385 N ALA A 29 -11.977 7.870 -8.981 1.00 0.00 N ATOM 386 CA ALA A 29 -12.989 8.782 -9.499 1.00 0.00 C ATOM 387 C ALA A 29 -12.369 10.114 -9.909 1.00 0.00 C ATOM 388 O ALA A 29 -13.074 11.099 -10.122 1.00 0.00 O ATOM 389 CB ALA A 29 -14.081 9.003 -8.463 1.00 0.00 C ATOM 0 H ALA A 29 -11.828 7.933 -7.974 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.432 8.328 -10.386 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.830 9.686 -8.864 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.552 8.050 -8.221 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.645 9.431 -7.561 1.00 0.00 H new ATOM 395 N GLY A 30 -11.044 10.136 -10.018 1.00 0.00 N ATOM 396 CA GLY A 30 -10.351 11.352 -10.402 1.00 0.00 C ATOM 397 C GLY A 30 -8.850 11.160 -10.493 1.00 0.00 C ATOM 398 O GLY A 30 -8.267 10.398 -9.722 1.00 0.00 O ATOM 0 H GLY A 30 -10.438 9.333 -9.847 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.730 11.693 -11.365 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.571 12.136 -9.677 1.00 0.00 H new ATOM 402 N ASP A 31 -8.224 11.851 -11.439 1.00 0.00 N ATOM 403 CA ASP A 31 -6.781 11.753 -11.630 1.00 0.00 C ATOM 404 C ASP A 31 -6.056 11.734 -10.288 1.00 0.00 C ATOM 405 O ASP A 31 -5.043 11.054 -10.128 1.00 0.00 O ATOM 406 CB ASP A 31 -6.277 12.920 -12.480 1.00 0.00 C ATOM 407 CG ASP A 31 -6.821 12.882 -13.895 1.00 0.00 C ATOM 408 OD1 ASP A 31 -6.342 12.049 -14.692 1.00 0.00 O ATOM 409 OD2 ASP A 31 -7.724 13.687 -14.205 1.00 0.00 O ATOM 0 H ASP A 31 -8.693 12.485 -12.086 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.570 10.818 -12.150 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.564 13.860 -12.008 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.188 12.899 -12.512 1.00 0.00 H new ATOM 414 N ASP A 32 -6.581 12.486 -9.327 1.00 0.00 N ATOM 415 CA ASP A 32 -5.984 12.557 -7.999 1.00 0.00 C ATOM 416 C ASP A 32 -6.079 11.210 -7.288 1.00 0.00 C ATOM 417 O ASP A 32 -5.146 10.792 -6.603 1.00 0.00 O ATOM 418 CB ASP A 32 -6.672 13.638 -7.163 1.00 0.00 C ATOM 419 CG ASP A 32 -8.136 13.803 -7.522 1.00 0.00 C ATOM 420 OD1 ASP A 32 -8.972 13.069 -6.955 1.00 0.00 O ATOM 421 OD2 ASP A 32 -8.445 14.666 -8.369 1.00 0.00 O ATOM 0 H ASP A 32 -7.419 13.055 -9.443 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.931 12.814 -8.115 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.586 13.385 -6.106 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.156 14.588 -7.307 1.00 0.00 H new ATOM 426 N GLU A 33 -7.213 10.537 -7.456 1.00 0.00 N ATOM 427 CA GLU A 33 -7.430 9.238 -6.829 1.00 0.00 C ATOM 428 C GLU A 33 -6.753 8.128 -7.628 1.00 0.00 C ATOM 429 O GLU A 33 -6.483 8.284 -8.820 1.00 0.00 O ATOM 430 CB GLU A 33 -8.927 8.951 -6.703 1.00 0.00 C ATOM 431 CG GLU A 33 -9.623 9.797 -5.649 1.00 0.00 C ATOM 432 CD GLU A 33 -11.132 9.783 -5.793 1.00 0.00 C ATOM 433 OE1 GLU A 33 -11.711 8.678 -5.859 1.00 0.00 O ATOM 434 OE2 GLU A 33 -11.734 10.875 -5.839 1.00 0.00 O ATOM 0 H GLU A 33 -7.995 10.869 -8.020 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.988 9.266 -5.833 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.404 9.123 -7.668 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.067 7.897 -6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.353 9.431 -4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.265 10.824 -5.718 1.00 0.00 H new ATOM 441 N ILE A 34 -6.483 7.010 -6.964 1.00 0.00 N ATOM 442 CA ILE A 34 -5.839 5.874 -7.612 1.00 0.00 C ATOM 443 C ILE A 34 -6.747 4.649 -7.604 1.00 0.00 C ATOM 444 O ILE A 34 -7.573 4.482 -6.707 1.00 0.00 O ATOM 445 CB ILE A 34 -4.507 5.516 -6.927 1.00 0.00 C ATOM 446 CG1 ILE A 34 -4.733 5.229 -5.441 1.00 0.00 C ATOM 447 CG2 ILE A 34 -3.499 6.642 -7.107 1.00 0.00 C ATOM 448 CD1 ILE A 34 -3.577 4.509 -4.782 1.00 0.00 C ATOM 0 H ILE A 34 -6.700 6.866 -5.978 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.641 6.169 -8.642 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.106 4.617 -7.394 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.909 6.170 -4.920 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.636 4.629 -5.328 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.563 6.374 -6.617 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.319 6.803 -8.170 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.892 7.557 -6.663 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.807 4.339 -3.730 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.414 3.552 -5.278 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.676 5.117 -4.863 1.00 0.00 H new ATOM 460 N SER A 35 -6.587 3.794 -8.609 1.00 0.00 N ATOM 461 CA SER A 35 -7.393 2.584 -8.719 1.00 0.00 C ATOM 462 C SER A 35 -6.532 1.338 -8.535 1.00 0.00 C ATOM 463 O SER A 35 -5.417 1.258 -9.051 1.00 0.00 O ATOM 464 CB SER A 35 -8.096 2.536 -10.077 1.00 0.00 C ATOM 465 OG SER A 35 -7.272 1.929 -11.057 1.00 0.00 O ATOM 0 H SER A 35 -5.906 3.917 -9.359 1.00 0.00 H new ATOM 0 HA SER A 35 -8.144 2.605 -7.929 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.029 1.980 -9.987 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.356 3.547 -10.391 1.00 0.00 H new ATOM 0 HG SER A 35 -7.745 1.909 -11.915 1.00 0.00 H new ATOM 471 N PHE A 36 -7.058 0.367 -7.796 1.00 0.00 N ATOM 472 CA PHE A 36 -6.338 -0.876 -7.542 1.00 0.00 C ATOM 473 C PHE A 36 -7.298 -2.061 -7.500 1.00 0.00 C ATOM 474 O PHE A 36 -8.506 -1.890 -7.331 1.00 0.00 O ATOM 475 CB PHE A 36 -5.566 -0.783 -6.225 1.00 0.00 C ATOM 476 CG PHE A 36 -6.260 0.044 -5.180 1.00 0.00 C ATOM 477 CD1 PHE A 36 -7.544 -0.274 -4.765 1.00 0.00 C ATOM 478 CD2 PHE A 36 -5.630 1.140 -4.613 1.00 0.00 C ATOM 479 CE1 PHE A 36 -8.185 0.486 -3.805 1.00 0.00 C ATOM 480 CE2 PHE A 36 -6.266 1.903 -3.652 1.00 0.00 C ATOM 481 CZ PHE A 36 -7.544 1.575 -3.247 1.00 0.00 C ATOM 0 H PHE A 36 -7.980 0.417 -7.362 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.632 -1.032 -8.358 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.407 -1.788 -5.835 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.582 -0.357 -6.419 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.049 -1.125 -5.197 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.630 1.401 -4.926 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.186 0.229 -3.491 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.763 2.755 -3.218 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.042 2.169 -2.495 1.00 0.00 H new ATOM 491 N ASP A 37 -6.752 -3.262 -7.655 1.00 0.00 N ATOM 492 CA ASP A 37 -7.559 -4.477 -7.634 1.00 0.00 C ATOM 493 C ASP A 37 -7.729 -4.992 -6.208 1.00 0.00 C ATOM 494 O ASP A 37 -6.977 -4.636 -5.300 1.00 0.00 O ATOM 495 CB ASP A 37 -6.916 -5.557 -8.506 1.00 0.00 C ATOM 496 CG ASP A 37 -7.397 -5.503 -9.942 1.00 0.00 C ATOM 497 OD1 ASP A 37 -7.097 -4.506 -10.632 1.00 0.00 O ATOM 498 OD2 ASP A 37 -8.073 -6.458 -10.377 1.00 0.00 O ATOM 0 H ASP A 37 -5.754 -3.421 -7.797 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.544 -4.236 -8.034 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.832 -5.440 -8.484 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.139 -6.538 -8.088 1.00 0.00 H new ATOM 503 N PRO A 38 -8.740 -5.849 -6.004 1.00 0.00 N ATOM 504 CA PRO A 38 -9.033 -6.431 -4.691 1.00 0.00 C ATOM 505 C PRO A 38 -7.969 -7.429 -4.249 1.00 0.00 C ATOM 506 O PRO A 38 -7.561 -8.298 -5.020 1.00 0.00 O ATOM 507 CB PRO A 38 -10.373 -7.138 -4.907 1.00 0.00 C ATOM 508 CG PRO A 38 -10.411 -7.441 -6.365 1.00 0.00 C ATOM 509 CD PRO A 38 -9.676 -6.317 -7.041 1.00 0.00 C ATOM 0 HA PRO A 38 -9.056 -5.675 -3.906 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.441 -8.049 -4.312 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.208 -6.502 -4.613 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.938 -8.400 -6.577 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.438 -7.507 -6.723 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.150 -6.659 -7.932 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.355 -5.525 -7.356 1.00 0.00 H new ATOM 517 N ASP A 39 -7.524 -7.300 -3.004 1.00 0.00 N ATOM 518 CA ASP A 39 -6.508 -8.193 -2.459 1.00 0.00 C ATOM 519 C ASP A 39 -5.134 -7.872 -3.040 1.00 0.00 C ATOM 520 O ASP A 39 -4.258 -8.734 -3.100 1.00 0.00 O ATOM 521 CB ASP A 39 -6.870 -9.650 -2.748 1.00 0.00 C ATOM 522 CG ASP A 39 -6.271 -10.608 -1.737 1.00 0.00 C ATOM 523 OD1 ASP A 39 -6.131 -10.217 -0.559 1.00 0.00 O ATOM 524 OD2 ASP A 39 -5.941 -11.748 -2.124 1.00 0.00 O ATOM 0 H ASP A 39 -7.851 -6.586 -2.353 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.470 -8.044 -1.380 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.955 -9.758 -2.748 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.523 -9.916 -3.746 1.00 0.00 H new ATOM 529 N ASP A 40 -4.955 -6.627 -3.468 1.00 0.00 N ATOM 530 CA ASP A 40 -3.688 -6.192 -4.045 1.00 0.00 C ATOM 531 C ASP A 40 -2.749 -5.670 -2.962 1.00 0.00 C ATOM 532 O ASP A 40 -3.187 -5.300 -1.873 1.00 0.00 O ATOM 533 CB ASP A 40 -3.928 -5.108 -5.097 1.00 0.00 C ATOM 534 CG ASP A 40 -4.316 -5.684 -6.444 1.00 0.00 C ATOM 535 OD1 ASP A 40 -5.048 -6.695 -6.469 1.00 0.00 O ATOM 536 OD2 ASP A 40 -3.887 -5.124 -7.474 1.00 0.00 O ATOM 0 H ASP A 40 -5.671 -5.902 -3.426 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.219 -7.052 -4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.715 -4.438 -4.751 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.025 -4.508 -5.208 1.00 0.00 H new ATOM 541 N ILE A 41 -1.457 -5.643 -3.270 1.00 0.00 N ATOM 542 CA ILE A 41 -0.456 -5.165 -2.324 1.00 0.00 C ATOM 543 C ILE A 41 -0.034 -3.736 -2.644 1.00 0.00 C ATOM 544 O ILE A 41 0.275 -3.412 -3.791 1.00 0.00 O ATOM 545 CB ILE A 41 0.791 -6.069 -2.320 1.00 0.00 C ATOM 546 CG1 ILE A 41 0.410 -7.500 -1.938 1.00 0.00 C ATOM 547 CG2 ILE A 41 1.839 -5.521 -1.362 1.00 0.00 C ATOM 548 CD1 ILE A 41 -0.416 -7.589 -0.674 1.00 0.00 C ATOM 0 H ILE A 41 -1.079 -5.946 -4.167 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.917 -5.191 -1.337 1.00 0.00 H new ATOM 0 HB ILE A 41 1.215 -6.082 -3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.148 -7.950 -2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.319 -8.088 -1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.714 -6.170 -1.370 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.129 -4.518 -1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.426 -5.482 -0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.649 -8.633 -0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.147 -7.169 0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.342 -7.029 -0.805 1.00 0.00 H new ATOM 560 N ILE A 42 -0.022 -2.885 -1.624 1.00 0.00 N ATOM 561 CA ILE A 42 0.366 -1.491 -1.796 1.00 0.00 C ATOM 562 C ILE A 42 1.562 -1.140 -0.918 1.00 0.00 C ATOM 563 O ILE A 42 1.706 -1.655 0.191 1.00 0.00 O ATOM 564 CB ILE A 42 -0.797 -0.538 -1.464 1.00 0.00 C ATOM 565 CG1 ILE A 42 -1.874 -0.615 -2.549 1.00 0.00 C ATOM 566 CG2 ILE A 42 -0.288 0.888 -1.317 1.00 0.00 C ATOM 567 CD1 ILE A 42 -2.921 -1.675 -2.286 1.00 0.00 C ATOM 0 H ILE A 42 -0.277 -3.137 -0.669 1.00 0.00 H new ATOM 0 HA ILE A 42 0.639 -1.367 -2.844 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.239 -0.845 -0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.364 0.355 -2.633 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.398 -0.816 -3.509 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.122 1.550 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.447 0.931 -0.513 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.176 1.207 -2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.652 -1.673 -3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.443 -2.653 -2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.424 -1.464 -1.342 1.00 0.00 H new ATOM 579 N THR A 43 2.420 -0.257 -1.421 1.00 0.00 N ATOM 580 CA THR A 43 3.604 0.164 -0.683 1.00 0.00 C ATOM 581 C THR A 43 3.770 1.679 -0.728 1.00 0.00 C ATOM 582 O THR A 43 3.124 2.360 -1.523 1.00 0.00 O ATOM 583 CB THR A 43 4.878 -0.497 -1.240 1.00 0.00 C ATOM 584 OG1 THR A 43 5.100 -0.074 -2.590 1.00 0.00 O ATOM 585 CG2 THR A 43 4.767 -2.014 -1.191 1.00 0.00 C ATOM 0 H THR A 43 2.316 0.180 -2.337 1.00 0.00 H new ATOM 0 HA THR A 43 3.461 -0.153 0.350 1.00 0.00 H new ATOM 0 HB THR A 43 5.720 -0.190 -0.620 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.913 -0.498 -2.936 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.679 -2.459 -1.590 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.628 -2.335 -0.159 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.915 -2.336 -1.789 1.00 0.00 H new ATOM 593 N ASN A 44 4.641 2.200 0.130 1.00 0.00 N ATOM 594 CA ASN A 44 4.892 3.636 0.188 1.00 0.00 C ATOM 595 C ASN A 44 3.625 4.394 0.571 1.00 0.00 C ATOM 596 O ASN A 44 3.305 5.427 -0.020 1.00 0.00 O ATOM 597 CB ASN A 44 5.412 4.138 -1.161 1.00 0.00 C ATOM 598 CG ASN A 44 6.924 4.072 -1.257 1.00 0.00 C ATOM 599 OD1 ASN A 44 7.559 4.949 -1.843 1.00 0.00 O ATOM 600 ND2 ASN A 44 7.509 3.028 -0.681 1.00 0.00 N ATOM 0 H ASN A 44 5.185 1.650 0.795 1.00 0.00 H new ATOM 0 HA ASN A 44 5.648 3.818 0.952 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.973 3.542 -1.961 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.085 5.167 -1.314 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.524 2.930 -0.714 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.944 2.325 -0.206 1.00 0.00 H new ATOM 607 N ILE A 45 2.908 3.876 1.562 1.00 0.00 N ATOM 608 CA ILE A 45 1.678 4.506 2.025 1.00 0.00 C ATOM 609 C ILE A 45 1.974 5.763 2.836 1.00 0.00 C ATOM 610 O ILE A 45 2.973 5.830 3.551 1.00 0.00 O ATOM 611 CB ILE A 45 0.840 3.540 2.884 1.00 0.00 C ATOM 612 CG1 ILE A 45 0.356 2.360 2.039 1.00 0.00 C ATOM 613 CG2 ILE A 45 -0.339 4.272 3.507 1.00 0.00 C ATOM 614 CD1 ILE A 45 -0.193 1.214 2.860 1.00 0.00 C ATOM 0 H ILE A 45 3.158 3.022 2.060 1.00 0.00 H new ATOM 0 HA ILE A 45 1.109 4.777 1.136 1.00 0.00 H new ATOM 0 HB ILE A 45 1.468 3.154 3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.416 2.707 1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.183 1.996 1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.921 3.576 4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.028 5.081 4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.969 4.684 2.719 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.517 0.413 2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.583 0.840 3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.041 1.562 3.449 1.00 0.00 H new ATOM 626 N GLU A 46 1.098 6.756 2.720 1.00 0.00 N ATOM 627 CA GLU A 46 1.266 8.010 3.443 1.00 0.00 C ATOM 628 C GLU A 46 -0.041 8.435 4.107 1.00 0.00 C ATOM 629 O GLU A 46 -0.919 9.007 3.462 1.00 0.00 O ATOM 630 CB GLU A 46 1.751 9.110 2.496 1.00 0.00 C ATOM 631 CG GLU A 46 3.264 9.217 2.411 1.00 0.00 C ATOM 632 CD GLU A 46 3.733 10.629 2.116 1.00 0.00 C ATOM 633 OE1 GLU A 46 3.264 11.565 2.797 1.00 0.00 O ATOM 634 OE2 GLU A 46 4.569 10.797 1.204 1.00 0.00 O ATOM 0 H GLU A 46 0.265 6.716 2.132 1.00 0.00 H new ATOM 0 HA GLU A 46 2.014 7.854 4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.352 8.921 1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.346 10.066 2.826 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.702 8.882 3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.629 8.547 1.633 1.00 0.00 H new ATOM 641 N MET A 47 -0.160 8.151 5.400 1.00 0.00 N ATOM 642 CA MET A 47 -1.359 8.503 6.151 1.00 0.00 C ATOM 643 C MET A 47 -1.658 9.994 6.029 1.00 0.00 C ATOM 644 O MET A 47 -1.028 10.819 6.692 1.00 0.00 O ATOM 645 CB MET A 47 -1.194 8.123 7.624 1.00 0.00 C ATOM 646 CG MET A 47 -1.082 6.625 7.856 1.00 0.00 C ATOM 647 SD MET A 47 -1.535 6.147 9.535 1.00 0.00 S ATOM 648 CE MET A 47 -1.630 4.366 9.365 1.00 0.00 C ATOM 0 H MET A 47 0.558 7.679 5.949 1.00 0.00 H new ATOM 0 HA MET A 47 -2.197 7.946 5.731 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.303 8.611 8.019 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.044 8.507 8.187 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.725 6.102 7.148 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.060 6.305 7.655 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.902 3.923 10.323 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.384 4.111 8.621 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.662 3.979 9.048 1.00 0.00 H new ATOM 658 N ILE A 48 -2.622 10.332 5.180 1.00 0.00 N ATOM 659 CA ILE A 48 -3.004 11.723 4.973 1.00 0.00 C ATOM 660 C ILE A 48 -3.968 12.196 6.056 1.00 0.00 C ATOM 661 O ILE A 48 -3.668 13.125 6.806 1.00 0.00 O ATOM 662 CB ILE A 48 -3.659 11.928 3.594 1.00 0.00 C ATOM 663 CG1 ILE A 48 -2.687 11.534 2.480 1.00 0.00 C ATOM 664 CG2 ILE A 48 -4.105 13.373 3.428 1.00 0.00 C ATOM 665 CD1 ILE A 48 -1.315 12.152 2.628 1.00 0.00 C ATOM 0 H ILE A 48 -3.153 9.661 4.624 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.088 12.312 5.023 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.538 11.287 3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.588 10.449 2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.108 11.831 1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.566 13.501 2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.828 13.622 4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.241 14.032 3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.679 11.829 1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.402 13.238 2.615 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.873 11.835 3.573 1.00 0.00 H new ATOM 677 N ASP A 49 -5.126 11.549 6.132 1.00 0.00 N ATOM 678 CA ASP A 49 -6.134 11.901 7.126 1.00 0.00 C ATOM 679 C ASP A 49 -6.709 10.650 7.783 1.00 0.00 C ATOM 680 O ASP A 49 -6.252 9.536 7.526 1.00 0.00 O ATOM 681 CB ASP A 49 -7.256 12.714 6.479 1.00 0.00 C ATOM 682 CG ASP A 49 -7.913 13.671 7.455 1.00 0.00 C ATOM 683 OD1 ASP A 49 -7.383 14.786 7.640 1.00 0.00 O ATOM 684 OD2 ASP A 49 -8.958 13.304 8.033 1.00 0.00 O ATOM 0 H ASP A 49 -5.390 10.779 5.518 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.655 12.506 7.896 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.854 13.277 5.637 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.008 12.035 6.078 1.00 0.00 H new ATOM 689 N ASP A 50 -7.712 10.842 8.632 1.00 0.00 N ATOM 690 CA ASP A 50 -8.350 9.730 9.327 1.00 0.00 C ATOM 691 C ASP A 50 -9.446 9.109 8.466 1.00 0.00 C ATOM 692 O ASP A 50 -10.431 8.583 8.982 1.00 0.00 O ATOM 693 CB ASP A 50 -8.935 10.200 10.659 1.00 0.00 C ATOM 694 CG ASP A 50 -8.956 9.101 11.703 1.00 0.00 C ATOM 695 OD1 ASP A 50 -9.941 8.334 11.739 1.00 0.00 O ATOM 696 OD2 ASP A 50 -7.986 9.007 12.484 1.00 0.00 O ATOM 0 H ASP A 50 -8.101 11.758 8.856 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.591 8.972 9.521 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.350 11.041 11.033 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.950 10.564 10.498 1.00 0.00 H new ATOM 701 N GLY A 51 -9.267 9.174 7.150 1.00 0.00 N ATOM 702 CA GLY A 51 -10.249 8.615 6.239 1.00 0.00 C ATOM 703 C GLY A 51 -9.635 8.171 4.926 1.00 0.00 C ATOM 704 O GLY A 51 -9.956 7.099 4.415 1.00 0.00 O ATOM 0 H GLY A 51 -8.460 9.604 6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.738 7.764 6.714 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.022 9.358 6.042 1.00 0.00 H new ATOM 708 N TRP A 52 -8.751 8.998 4.379 1.00 0.00 N ATOM 709 CA TRP A 52 -8.093 8.685 3.116 1.00 0.00 C ATOM 710 C TRP A 52 -6.576 8.743 3.264 1.00 0.00 C ATOM 711 O TRP A 52 -6.053 9.480 4.099 1.00 0.00 O ATOM 712 CB TRP A 52 -8.549 9.655 2.025 1.00 0.00 C ATOM 713 CG TRP A 52 -10.001 9.521 1.679 1.00 0.00 C ATOM 714 CD1 TRP A 52 -11.063 9.697 2.519 1.00 0.00 C ATOM 715 CD2 TRP A 52 -10.550 9.179 0.402 1.00 0.00 C ATOM 716 NE1 TRP A 52 -12.239 9.486 1.841 1.00 0.00 N ATOM 717 CE2 TRP A 52 -11.951 9.168 0.540 1.00 0.00 C ATOM 718 CE3 TRP A 52 -9.994 8.884 -0.846 1.00 0.00 C ATOM 719 CZ2 TRP A 52 -12.801 8.871 -0.522 1.00 0.00 C ATOM 720 CZ3 TRP A 52 -10.839 8.589 -1.899 1.00 0.00 C ATOM 721 CH2 TRP A 52 -12.230 8.586 -1.732 1.00 0.00 C ATOM 0 H TRP A 52 -8.474 9.889 4.790 1.00 0.00 H new ATOM 0 HA TRP A 52 -8.373 7.671 2.830 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -8.354 10.676 2.352 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.952 9.488 1.128 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -10.989 9.963 3.563 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -13.175 9.555 2.241 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.923 8.887 -0.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -13.873 8.866 -0.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.420 8.357 -2.867 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.864 8.354 -2.575 1.00 0.00 H new ATOM 732 N TRP A 53 -5.877 7.963 2.448 1.00 0.00 N ATOM 733 CA TRP A 53 -4.419 7.926 2.489 1.00 0.00 C ATOM 734 C TRP A 53 -3.831 8.074 1.090 1.00 0.00 C ATOM 735 O TRP A 53 -4.564 8.219 0.111 1.00 0.00 O ATOM 736 CB TRP A 53 -3.938 6.620 3.123 1.00 0.00 C ATOM 737 CG TRP A 53 -4.400 6.441 4.537 1.00 0.00 C ATOM 738 CD1 TRP A 53 -4.618 7.425 5.459 1.00 0.00 C ATOM 739 CD2 TRP A 53 -4.697 5.202 5.192 1.00 0.00 C ATOM 740 NE1 TRP A 53 -5.034 6.873 6.647 1.00 0.00 N ATOM 741 CE2 TRP A 53 -5.091 5.511 6.509 1.00 0.00 C ATOM 742 CE3 TRP A 53 -4.671 3.863 4.793 1.00 0.00 C ATOM 743 CZ2 TRP A 53 -5.453 4.529 7.426 1.00 0.00 C ATOM 744 CZ3 TRP A 53 -5.031 2.890 5.705 1.00 0.00 C ATOM 745 CH2 TRP A 53 -5.418 3.226 7.009 1.00 0.00 C ATOM 0 H TRP A 53 -6.295 7.348 1.750 1.00 0.00 H new ATOM 0 HA TRP A 53 -4.077 8.763 3.097 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.292 5.781 2.524 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.849 6.592 3.098 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.483 8.482 5.281 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.263 7.393 7.494 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.375 3.594 3.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.751 4.786 8.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.014 1.852 5.408 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.694 2.442 7.698 1.00 0.00 H new ATOM 756 N ARG A 54 -2.506 8.036 1.003 1.00 0.00 N ATOM 757 CA ARG A 54 -1.821 8.166 -0.278 1.00 0.00 C ATOM 758 C ARG A 54 -0.625 7.220 -0.353 1.00 0.00 C ATOM 759 O ARG A 54 0.296 7.301 0.458 1.00 0.00 O ATOM 760 CB ARG A 54 -1.357 9.609 -0.488 1.00 0.00 C ATOM 761 CG ARG A 54 -2.457 10.536 -0.977 1.00 0.00 C ATOM 762 CD ARG A 54 -1.886 11.831 -1.535 1.00 0.00 C ATOM 763 NE ARG A 54 -1.322 11.650 -2.870 1.00 0.00 N ATOM 764 CZ ARG A 54 -0.989 12.657 -3.670 1.00 0.00 C ATOM 765 NH1 ARG A 54 -1.162 13.910 -3.271 1.00 0.00 N ATOM 766 NH2 ARG A 54 -0.481 12.412 -4.871 1.00 0.00 N ATOM 0 H ARG A 54 -1.885 7.916 1.803 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.524 7.899 -1.067 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.959 9.994 0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.539 9.618 -1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.043 10.033 -1.747 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.137 10.761 -0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.671 12.587 -1.572 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.114 12.206 -0.863 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.176 10.698 -3.207 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.551 14.102 -2.348 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.906 14.681 -3.887 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.346 11.450 -5.181 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.226 13.186 -5.484 1.00 0.00 H new ATOM 780 N GLY A 55 -0.648 6.323 -1.334 1.00 0.00 N ATOM 781 CA GLY A 55 0.438 5.374 -1.498 1.00 0.00 C ATOM 782 C GLY A 55 0.717 5.058 -2.953 1.00 0.00 C ATOM 783 O GLY A 55 -0.063 5.416 -3.835 1.00 0.00 O ATOM 0 H GLY A 55 -1.399 6.236 -2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.340 5.776 -1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.194 4.452 -0.970 1.00 0.00 H new ATOM 787 N VAL A 56 1.835 4.385 -3.207 1.00 0.00 N ATOM 788 CA VAL A 56 2.216 4.020 -4.566 1.00 0.00 C ATOM 789 C VAL A 56 1.710 2.627 -4.924 1.00 0.00 C ATOM 790 O VAL A 56 2.259 1.621 -4.474 1.00 0.00 O ATOM 791 CB VAL A 56 3.745 4.062 -4.751 1.00 0.00 C ATOM 792 CG1 VAL A 56 4.125 3.629 -6.159 1.00 0.00 C ATOM 793 CG2 VAL A 56 4.280 5.454 -4.449 1.00 0.00 C ATOM 0 H VAL A 56 2.493 4.082 -2.489 1.00 0.00 H new ATOM 0 HA VAL A 56 1.757 4.752 -5.230 1.00 0.00 H new ATOM 0 HB VAL A 56 4.198 3.363 -4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.209 3.665 -6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.776 2.611 -6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.663 4.300 -6.883 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.361 5.465 -4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.822 6.175 -5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.041 5.720 -3.419 1.00 0.00 H new ATOM 803 N CYS A 57 0.661 2.576 -5.737 1.00 0.00 N ATOM 804 CA CYS A 57 0.079 1.306 -6.156 1.00 0.00 C ATOM 805 C CYS A 57 0.218 1.115 -7.663 1.00 0.00 C ATOM 806 O CYS A 57 -0.145 1.992 -8.447 1.00 0.00 O ATOM 807 CB CYS A 57 -1.395 1.239 -5.755 1.00 0.00 C ATOM 808 SG CYS A 57 -2.524 1.957 -6.972 1.00 0.00 S ATOM 0 H CYS A 57 0.196 3.399 -6.119 1.00 0.00 H new ATOM 0 HA CYS A 57 0.621 0.504 -5.655 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.669 0.197 -5.591 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.526 1.756 -4.804 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.870 2.231 -8.062 1.00 0.00 H new ATOM 814 N LYS A 58 0.748 -0.036 -8.062 1.00 0.00 N ATOM 815 CA LYS A 58 0.937 -0.344 -9.475 1.00 0.00 C ATOM 816 C LYS A 58 1.597 0.823 -10.202 1.00 0.00 C ATOM 817 O LYS A 58 1.358 1.043 -11.388 1.00 0.00 O ATOM 818 CB LYS A 58 -0.407 -0.672 -10.130 1.00 0.00 C ATOM 819 CG LYS A 58 -0.953 -2.037 -9.746 1.00 0.00 C ATOM 820 CD LYS A 58 -1.999 -2.518 -10.738 1.00 0.00 C ATOM 821 CE LYS A 58 -3.310 -1.765 -10.575 1.00 0.00 C ATOM 822 NZ LYS A 58 -4.452 -2.502 -11.183 1.00 0.00 N ATOM 0 H LYS A 58 1.055 -0.772 -7.426 1.00 0.00 H new ATOM 0 HA LYS A 58 1.592 -1.212 -9.548 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.133 0.092 -9.852 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.295 -0.626 -11.213 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.136 -2.757 -9.700 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.391 -1.987 -8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.626 -2.386 -11.754 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.171 -3.585 -10.598 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.506 -1.602 -9.515 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.224 -0.782 -11.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.327 -1.956 -11.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.277 -2.636 -12.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.550 -3.430 -10.724 1.00 0.00 H new ATOM 836 N GLY A 59 2.430 1.568 -9.482 1.00 0.00 N ATOM 837 CA GLY A 59 3.113 2.703 -10.076 1.00 0.00 C ATOM 838 C GLY A 59 2.230 3.932 -10.161 1.00 0.00 C ATOM 839 O GLY A 59 2.253 4.654 -11.158 1.00 0.00 O ATOM 0 H GLY A 59 2.644 1.406 -8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.001 2.937 -9.488 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.454 2.435 -11.076 1.00 0.00 H new ATOM 843 N ARG A 60 1.448 4.170 -9.113 1.00 0.00 N ATOM 844 CA ARG A 60 0.551 5.319 -9.074 1.00 0.00 C ATOM 845 C ARG A 60 0.367 5.817 -7.644 1.00 0.00 C ATOM 846 O ARG A 60 0.006 5.051 -6.751 1.00 0.00 O ATOM 847 CB ARG A 60 -0.807 4.953 -9.677 1.00 0.00 C ATOM 848 CG ARG A 60 -0.898 5.208 -11.172 1.00 0.00 C ATOM 849 CD ARG A 60 -2.318 5.554 -11.593 1.00 0.00 C ATOM 850 NE ARG A 60 -3.086 4.367 -11.957 1.00 0.00 N ATOM 851 CZ ARG A 60 -4.276 4.413 -12.544 1.00 0.00 C ATOM 852 NH1 ARG A 60 -4.832 5.582 -12.833 1.00 0.00 N ATOM 853 NH2 ARG A 60 -4.913 3.289 -12.845 1.00 0.00 N ATOM 0 H ARG A 60 1.417 3.583 -8.280 1.00 0.00 H new ATOM 0 HA ARG A 60 0.999 6.119 -9.664 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.009 3.899 -9.484 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.585 5.525 -9.171 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.228 6.023 -11.445 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.562 4.324 -11.714 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.821 6.075 -10.778 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.288 6.240 -12.440 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.686 3.452 -11.749 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.345 6.449 -12.604 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.746 5.614 -13.284 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.489 2.388 -12.625 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.827 3.326 -13.296 1.00 0.00 H new ATOM 867 N TYR A 61 0.619 7.104 -7.435 1.00 0.00 N ATOM 868 CA TYR A 61 0.484 7.704 -6.113 1.00 0.00 C ATOM 869 C TYR A 61 -0.645 8.729 -6.092 1.00 0.00 C ATOM 870 O TYR A 61 -0.566 9.771 -6.742 1.00 0.00 O ATOM 871 CB TYR A 61 1.798 8.368 -5.695 1.00 0.00 C ATOM 872 CG TYR A 61 1.693 9.163 -4.413 1.00 0.00 C ATOM 873 CD1 TYR A 61 1.721 8.531 -3.176 1.00 0.00 C ATOM 874 CD2 TYR A 61 1.568 10.546 -4.439 1.00 0.00 C ATOM 875 CE1 TYR A 61 1.625 9.253 -2.002 1.00 0.00 C ATOM 876 CE2 TYR A 61 1.473 11.277 -3.270 1.00 0.00 C ATOM 877 CZ TYR A 61 1.501 10.626 -2.054 1.00 0.00 C ATOM 878 OH TYR A 61 1.407 11.349 -0.888 1.00 0.00 O ATOM 0 H TYR A 61 0.918 7.752 -8.164 1.00 0.00 H new ATOM 0 HA TYR A 61 0.243 6.911 -5.405 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.562 7.600 -5.575 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.133 9.028 -6.495 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.820 7.456 -3.131 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.545 11.059 -5.389 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.647 8.745 -1.049 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.377 12.352 -3.308 1.00 0.00 H new ATOM 0 HH TYR A 61 1.326 12.302 -1.100 1.00 0.00 H new ATOM 888 N GLY A 62 -1.698 8.425 -5.339 1.00 0.00 N ATOM 889 CA GLY A 62 -2.830 9.329 -5.246 1.00 0.00 C ATOM 890 C GLY A 62 -3.648 9.106 -3.990 1.00 0.00 C ATOM 891 O GLY A 62 -3.270 8.314 -3.126 1.00 0.00 O ATOM 0 H GLY A 62 -1.787 7.569 -4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.472 10.358 -5.265 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.468 9.198 -6.120 1.00 0.00 H new ATOM 895 N LEU A 63 -4.772 9.807 -3.887 1.00 0.00 N ATOM 896 CA LEU A 63 -5.647 9.683 -2.725 1.00 0.00 C ATOM 897 C LEU A 63 -6.539 8.452 -2.845 1.00 0.00 C ATOM 898 O LEU A 63 -7.080 8.165 -3.913 1.00 0.00 O ATOM 899 CB LEU A 63 -6.507 10.938 -2.574 1.00 0.00 C ATOM 900 CG LEU A 63 -5.891 12.081 -1.766 1.00 0.00 C ATOM 901 CD1 LEU A 63 -6.406 13.423 -2.262 1.00 0.00 C ATOM 902 CD2 LEU A 63 -6.190 11.908 -0.284 1.00 0.00 C ATOM 0 H LEU A 63 -5.099 10.467 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.021 9.571 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.747 11.312 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.449 10.654 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.810 12.056 -1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.957 14.224 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.141 13.549 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.490 13.459 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.744 12.730 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.269 11.906 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.772 10.963 0.064 1.00 0.00 H new ATOM 914 N PHE A 64 -6.691 7.728 -1.741 1.00 0.00 N ATOM 915 CA PHE A 64 -7.520 6.528 -1.721 1.00 0.00 C ATOM 916 C PHE A 64 -8.135 6.315 -0.341 1.00 0.00 C ATOM 917 O PHE A 64 -7.532 6.618 0.689 1.00 0.00 O ATOM 918 CB PHE A 64 -6.692 5.304 -2.118 1.00 0.00 C ATOM 919 CG PHE A 64 -5.673 4.910 -1.087 1.00 0.00 C ATOM 920 CD1 PHE A 64 -6.048 4.187 0.035 1.00 0.00 C ATOM 921 CD2 PHE A 64 -4.342 5.261 -1.239 1.00 0.00 C ATOM 922 CE1 PHE A 64 -5.113 3.824 0.985 1.00 0.00 C ATOM 923 CE2 PHE A 64 -3.402 4.899 -0.292 1.00 0.00 C ATOM 924 CZ PHE A 64 -3.788 4.179 0.821 1.00 0.00 C ATOM 0 H PHE A 64 -6.251 7.951 -0.848 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.327 6.661 -2.442 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.363 4.463 -2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.184 5.509 -3.060 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.082 3.905 0.168 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.035 5.824 -2.108 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.418 3.263 1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.367 5.179 -0.423 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.056 3.894 1.562 1.00 0.00 H new ATOM 934 N PRO A 65 -9.365 5.780 -0.319 1.00 0.00 N ATOM 935 CA PRO A 65 -10.090 5.514 0.928 1.00 0.00 C ATOM 936 C PRO A 65 -9.472 4.370 1.724 1.00 0.00 C ATOM 937 O PRO A 65 -9.144 3.321 1.170 1.00 0.00 O ATOM 938 CB PRO A 65 -11.493 5.134 0.448 1.00 0.00 C ATOM 939 CG PRO A 65 -11.293 4.614 -0.934 1.00 0.00 C ATOM 940 CD PRO A 65 -10.143 5.394 -1.508 1.00 0.00 C ATOM 0 HA PRO A 65 -10.072 6.371 1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.941 4.379 1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.160 5.996 0.454 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.073 3.547 -0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.193 4.746 -1.535 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.552 4.790 -2.196 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.487 6.266 -2.064 1.00 0.00 H new ATOM 948 N ALA A 66 -9.316 4.579 3.027 1.00 0.00 N ATOM 949 CA ALA A 66 -8.739 3.564 3.900 1.00 0.00 C ATOM 950 C ALA A 66 -9.760 2.481 4.232 1.00 0.00 C ATOM 951 O ALA A 66 -9.445 1.505 4.911 1.00 0.00 O ATOM 952 CB ALA A 66 -8.211 4.203 5.176 1.00 0.00 C ATOM 0 H ALA A 66 -9.581 5.442 3.501 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.909 3.095 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.783 3.433 5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.443 4.935 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -9.028 4.699 5.699 1.00 0.00 H new ATOM 958 N ASN A 67 -10.985 2.661 3.749 1.00 0.00 N ATOM 959 CA ASN A 67 -12.053 1.699 3.996 1.00 0.00 C ATOM 960 C ASN A 67 -11.985 0.544 3.002 1.00 0.00 C ATOM 961 O ASN A 67 -12.306 -0.597 3.337 1.00 0.00 O ATOM 962 CB ASN A 67 -13.418 2.386 3.903 1.00 0.00 C ATOM 963 CG ASN A 67 -13.636 3.391 5.018 1.00 0.00 C ATOM 964 OD1 ASN A 67 -13.235 4.550 4.911 1.00 0.00 O ATOM 965 ND2 ASN A 67 -14.274 2.950 6.096 1.00 0.00 N ATOM 0 H ASN A 67 -11.263 3.464 3.184 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.922 1.299 5.001 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.503 2.891 2.941 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -14.204 1.632 3.938 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.449 3.580 6.878 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.589 1.981 6.142 1.00 0.00 H new ATOM 972 N TYR A 68 -11.565 0.846 1.779 1.00 0.00 N ATOM 973 CA TYR A 68 -11.455 -0.166 0.736 1.00 0.00 C ATOM 974 C TYR A 68 -10.134 -0.921 0.845 1.00 0.00 C ATOM 975 O TYR A 68 -9.819 -1.770 0.011 1.00 0.00 O ATOM 976 CB TYR A 68 -11.574 0.480 -0.646 1.00 0.00 C ATOM 977 CG TYR A 68 -13.000 0.757 -1.064 1.00 0.00 C ATOM 978 CD1 TYR A 68 -13.699 1.840 -0.545 1.00 0.00 C ATOM 979 CD2 TYR A 68 -13.649 -0.064 -1.978 1.00 0.00 C ATOM 980 CE1 TYR A 68 -15.003 2.096 -0.924 1.00 0.00 C ATOM 981 CE2 TYR A 68 -14.951 0.186 -2.364 1.00 0.00 C ATOM 982 CZ TYR A 68 -15.624 1.267 -1.834 1.00 0.00 C ATOM 983 OH TYR A 68 -16.922 1.518 -2.215 1.00 0.00 O ATOM 0 H TYR A 68 -11.295 1.785 1.485 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.270 -0.877 0.869 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -11.015 1.416 -0.650 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.108 -0.173 -1.384 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.215 2.493 0.167 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.126 -0.913 -2.394 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.533 2.941 -0.510 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -15.440 -0.461 -3.077 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.210 0.841 -2.863 1.00 0.00 H new ATOM 993 N VAL A 69 -9.364 -0.605 1.881 1.00 0.00 N ATOM 994 CA VAL A 69 -8.077 -1.254 2.103 1.00 0.00 C ATOM 995 C VAL A 69 -7.843 -1.518 3.586 1.00 0.00 C ATOM 996 O VAL A 69 -8.485 -0.912 4.443 1.00 0.00 O ATOM 997 CB VAL A 69 -6.917 -0.401 1.555 1.00 0.00 C ATOM 998 CG1 VAL A 69 -7.149 -0.061 0.091 1.00 0.00 C ATOM 999 CG2 VAL A 69 -6.749 0.864 2.384 1.00 0.00 C ATOM 0 H VAL A 69 -9.609 0.096 2.580 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.105 -2.203 1.568 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.997 -0.981 1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.319 0.542 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.216 -0.981 -0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.078 0.500 -0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.925 1.455 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.668 1.449 2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.533 0.595 3.418 1.00 0.00 H new ATOM 1009 N GLU A 70 -6.918 -2.426 3.881 1.00 0.00 N ATOM 1010 CA GLU A 70 -6.599 -2.771 5.261 1.00 0.00 C ATOM 1011 C GLU A 70 -5.093 -2.715 5.502 1.00 0.00 C ATOM 1012 O GLU A 70 -4.299 -3.039 4.618 1.00 0.00 O ATOM 1013 CB GLU A 70 -7.130 -4.166 5.598 1.00 0.00 C ATOM 1014 CG GLU A 70 -6.951 -4.550 7.057 1.00 0.00 C ATOM 1015 CD GLU A 70 -7.583 -3.549 8.005 1.00 0.00 C ATOM 1016 OE1 GLU A 70 -8.824 -3.409 7.977 1.00 0.00 O ATOM 1017 OE2 GLU A 70 -6.839 -2.907 8.774 1.00 0.00 O ATOM 0 H GLU A 70 -6.377 -2.936 3.183 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.081 -2.041 5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.190 -4.213 5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.621 -4.900 4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.390 -5.533 7.227 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.887 -4.634 7.279 1.00 0.00 H new ATOM 1024 N LEU A 71 -4.707 -2.302 6.705 1.00 0.00 N ATOM 1025 CA LEU A 71 -3.297 -2.203 7.063 1.00 0.00 C ATOM 1026 C LEU A 71 -2.695 -3.586 7.294 1.00 0.00 C ATOM 1027 O LEU A 71 -3.243 -4.395 8.042 1.00 0.00 O ATOM 1028 CB LEU A 71 -3.129 -1.346 8.319 1.00 0.00 C ATOM 1029 CG LEU A 71 -3.283 0.163 8.127 1.00 0.00 C ATOM 1030 CD1 LEU A 71 -3.330 0.871 9.472 1.00 0.00 C ATOM 1031 CD2 LEU A 71 -2.149 0.711 7.273 1.00 0.00 C ATOM 0 H LEU A 71 -5.351 -2.031 7.448 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.769 -1.731 6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.859 -1.674 9.059 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.141 -1.540 8.738 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.224 0.349 7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.440 1.944 9.315 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.177 0.500 10.049 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.407 0.677 10.018 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.275 1.786 7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.196 0.512 7.763 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.163 0.227 6.296 1.00 0.00 H new ATOM 1043 N ARG A 72 -1.564 -3.848 6.647 1.00 0.00 N ATOM 1044 CA ARG A 72 -0.887 -5.133 6.782 1.00 0.00 C ATOM 1045 C ARG A 72 -0.498 -5.392 8.235 1.00 0.00 C ATOM 1046 O ARG A 72 -0.337 -4.458 9.020 1.00 0.00 O ATOM 1047 CB ARG A 72 0.358 -5.173 5.895 1.00 0.00 C ATOM 1048 CG ARG A 72 0.048 -5.374 4.420 1.00 0.00 C ATOM 1049 CD ARG A 72 -0.297 -6.824 4.116 1.00 0.00 C ATOM 1050 NE ARG A 72 0.895 -7.663 4.025 1.00 0.00 N ATOM 1051 CZ ARG A 72 0.885 -8.906 3.556 1.00 0.00 C ATOM 1052 NH1 ARG A 72 -0.249 -9.451 3.138 1.00 0.00 N ATOM 1053 NH2 ARG A 72 2.011 -9.606 3.505 1.00 0.00 N ATOM 0 H ARG A 72 -1.097 -3.188 6.025 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.577 -5.914 6.463 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.912 -4.242 6.018 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.010 -5.978 6.234 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.785 -4.732 4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.907 -5.070 3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.954 -7.211 4.895 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.849 -6.876 3.178 1.00 0.00 H new ATOM 0 HE ARG A 72 1.784 -7.273 4.339 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.116 -8.916 3.176 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.254 -10.405 2.778 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.885 -9.190 3.826 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.002 -10.560 3.145 1.00 0.00 H new