USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 406 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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 150:sc= -3.84! USER MOD Single : A 50 ASN : amide:sc= -4.57! C(o=-4.6!,f=-12!) USER MOD Single : A 51 THR OG1 : rot 114:sc= 0.93 USER MOD Single : A 57 ASN : amide:sc= -0.918 K(o=-0.92,f=-2.5) USER MOD Single : A 60 CYS SG : rot 68:sc= -0.353 USER MOD Single : A 69 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.3!) USER MOD Single : A 70 SER OG : rot 92:sc= 1.21 USER MOD Single : A 71 GLN : amide:sc= -0.457 X(o=-0.46,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 22 9.002 8.492 5.533 1.00 0.00 N ATOM 230 CA VAL A 22 7.578 8.910 5.400 1.00 0.00 C ATOM 231 C VAL A 22 6.915 8.110 4.277 1.00 0.00 C ATOM 232 O VAL A 22 7.576 7.476 3.479 1.00 0.00 O ATOM 233 CB VAL A 22 7.515 10.403 5.069 1.00 0.00 C ATOM 234 CG1 VAL A 22 6.058 10.817 4.856 1.00 0.00 C ATOM 235 CG2 VAL A 22 8.108 11.206 6.229 1.00 0.00 C ATOM 0 HA VAL A 22 7.054 8.723 6.337 1.00 0.00 H new ATOM 0 HB VAL A 22 8.085 10.599 4.161 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.013 11.880 4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.634 10.244 4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.488 10.622 5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.064 12.270 5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.537 11.010 7.137 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.146 10.911 6.383 1.00 0.00 H new ATOM 245 N VAL A 23 5.611 8.132 4.210 1.00 0.00 N ATOM 246 CA VAL A 23 4.908 7.372 3.139 1.00 0.00 C ATOM 247 C VAL A 23 4.358 8.347 2.098 1.00 0.00 C ATOM 248 O VAL A 23 3.786 9.368 2.428 1.00 0.00 O ATOM 249 CB VAL A 23 3.751 6.571 3.746 1.00 0.00 C ATOM 250 CG1 VAL A 23 4.237 5.169 4.115 1.00 0.00 C ATOM 251 CG2 VAL A 23 3.232 7.275 5.003 1.00 0.00 C ATOM 0 H VAL A 23 5.003 8.643 4.850 1.00 0.00 H new ATOM 0 HA VAL A 23 5.611 6.688 2.664 1.00 0.00 H new ATOM 0 HB VAL A 23 2.946 6.499 3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.413 4.600 4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.598 4.662 3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.046 5.244 4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.410 6.700 5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.037 7.354 5.734 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.880 8.273 4.742 1.00 0.00 H new ATOM 261 N GLU A 24 4.527 8.042 0.841 1.00 0.00 N ATOM 262 CA GLU A 24 4.014 8.950 -0.222 1.00 0.00 C ATOM 263 C GLU A 24 2.638 8.467 -0.684 1.00 0.00 C ATOM 264 O GLU A 24 1.789 9.250 -1.063 1.00 0.00 O ATOM 265 CB GLU A 24 4.981 8.943 -1.408 1.00 0.00 C ATOM 266 CG GLU A 24 4.738 10.181 -2.273 1.00 0.00 C ATOM 267 CD GLU A 24 5.847 10.296 -3.321 1.00 0.00 C ATOM 268 OE1 GLU A 24 6.985 10.018 -2.982 1.00 0.00 O ATOM 269 OE2 GLU A 24 5.538 10.662 -4.443 1.00 0.00 O ATOM 0 H GLU A 24 4.999 7.203 0.504 1.00 0.00 H new ATOM 0 HA GLU A 24 3.930 9.962 0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.011 8.932 -1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.840 8.039 -2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.766 10.111 -2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.718 11.075 -1.650 1.00 0.00 H new ATOM 276 N LYS A 25 2.411 7.183 -0.654 1.00 0.00 N ATOM 277 CA LYS A 25 1.092 6.647 -1.091 1.00 0.00 C ATOM 278 C LYS A 25 1.186 5.126 -1.210 1.00 0.00 C ATOM 279 O LYS A 25 2.179 4.526 -0.844 1.00 0.00 O ATOM 280 CB LYS A 25 0.722 7.245 -2.451 1.00 0.00 C ATOM 281 CG LYS A 25 -0.370 8.299 -2.264 1.00 0.00 C ATOM 282 CD LYS A 25 -0.181 9.418 -3.291 1.00 0.00 C ATOM 283 CE LYS A 25 -0.079 8.813 -4.693 1.00 0.00 C ATOM 284 NZ LYS A 25 -0.563 9.803 -5.696 1.00 0.00 N ATOM 0 H LYS A 25 3.083 6.481 -0.345 1.00 0.00 H new ATOM 0 HA LYS A 25 0.327 6.912 -0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.601 7.694 -2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.374 6.460 -3.123 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.353 7.844 -2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.327 8.707 -1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.018 10.114 -3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.720 9.987 -3.063 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.953 8.537 -4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.672 7.900 -4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.494 9.393 -6.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.554 10.046 -5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.021 10.662 -5.646 1.00 0.00 H new ATOM 298 N VAL A 26 0.166 4.494 -1.716 1.00 0.00 N ATOM 299 CA VAL A 26 0.208 3.012 -1.853 1.00 0.00 C ATOM 300 C VAL A 26 0.103 2.632 -3.331 1.00 0.00 C ATOM 301 O VAL A 26 -0.752 3.115 -4.047 1.00 0.00 O ATOM 302 CB VAL A 26 -0.956 2.396 -1.079 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.973 0.887 -1.304 1.00 0.00 C ATOM 304 CG2 VAL A 26 -0.782 2.681 0.413 1.00 0.00 C ATOM 0 H VAL A 26 -0.693 4.938 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 26 1.148 2.636 -1.451 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.894 2.829 -1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.803 0.446 -0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.093 0.679 -2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.035 0.456 -0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.612 2.242 0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.156 2.246 0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.765 3.758 0.578 1.00 0.00 H new ATOM 314 N LEU A 27 0.969 1.772 -3.793 1.00 0.00 N ATOM 315 CA LEU A 27 0.922 1.363 -5.225 1.00 0.00 C ATOM 316 C LEU A 27 0.125 0.063 -5.363 1.00 0.00 C ATOM 317 O LEU A 27 -0.719 -0.069 -6.226 1.00 0.00 O ATOM 318 CB LEU A 27 2.345 1.144 -5.739 1.00 0.00 C ATOM 319 CG LEU A 27 3.164 2.420 -5.533 1.00 0.00 C ATOM 320 CD1 LEU A 27 4.577 2.054 -5.076 1.00 0.00 C ATOM 321 CD2 LEU A 27 3.240 3.194 -6.852 1.00 0.00 C ATOM 0 H LEU A 27 1.707 1.335 -3.241 1.00 0.00 H new ATOM 0 HA LEU A 27 0.440 2.147 -5.809 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.810 0.312 -5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.324 0.879 -6.796 1.00 0.00 H new ATOM 0 HG LEU A 27 2.686 3.039 -4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.159 2.964 -4.930 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.524 1.502 -4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.056 1.435 -5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.823 4.103 -6.707 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.717 2.574 -7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.234 3.456 -7.178 1.00 0.00 H new ATOM 333 N ASP A 28 0.386 -0.898 -4.518 1.00 0.00 N ATOM 334 CA ASP A 28 -0.361 -2.185 -4.608 1.00 0.00 C ATOM 335 C ASP A 28 -0.067 -3.037 -3.370 1.00 0.00 C ATOM 336 O ASP A 28 0.538 -2.580 -2.419 1.00 0.00 O ATOM 337 CB ASP A 28 0.079 -2.942 -5.862 1.00 0.00 C ATOM 338 CG ASP A 28 -1.039 -2.896 -6.905 1.00 0.00 C ATOM 339 OD1 ASP A 28 -1.093 -1.927 -7.645 1.00 0.00 O ATOM 340 OD2 ASP A 28 -1.825 -3.828 -6.945 1.00 0.00 O ATOM 0 H ASP A 28 1.081 -0.848 -3.773 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.430 -1.980 -4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.988 -2.497 -6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.315 -3.976 -5.611 1.00 0.00 H new ATOM 345 N ARG A 29 -0.490 -4.271 -3.375 1.00 0.00 N ATOM 346 CA ARG A 29 -0.236 -5.153 -2.202 1.00 0.00 C ATOM 347 C ARG A 29 0.061 -6.574 -2.686 1.00 0.00 C ATOM 348 O ARG A 29 -0.364 -6.979 -3.750 1.00 0.00 O ATOM 349 CB ARG A 29 -1.472 -5.170 -1.300 1.00 0.00 C ATOM 350 CG ARG A 29 -2.700 -5.566 -2.123 1.00 0.00 C ATOM 351 CD ARG A 29 -2.853 -7.087 -2.114 1.00 0.00 C ATOM 352 NE ARG A 29 -4.230 -7.444 -1.667 1.00 0.00 N ATOM 353 CZ ARG A 29 -5.035 -8.074 -2.478 1.00 0.00 C ATOM 354 NH1 ARG A 29 -5.814 -7.399 -3.278 1.00 0.00 N ATOM 355 NH2 ARG A 29 -5.060 -9.379 -2.491 1.00 0.00 N ATOM 0 H ARG A 29 -1.001 -4.707 -4.142 1.00 0.00 H new ATOM 0 HA ARG A 29 0.619 -4.774 -1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.328 -5.874 -0.481 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.622 -4.187 -0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.594 -5.098 -1.710 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.596 -5.207 -3.147 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.667 -7.488 -3.110 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.115 -7.534 -1.448 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.542 -7.196 -0.728 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.794 -6.379 -3.269 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.443 -7.891 -3.912 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.450 -9.907 -1.867 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.690 -9.871 -3.125 1.00 0.00 H new ATOM 369 N ARG A 30 0.788 -7.335 -1.914 1.00 0.00 N ATOM 370 CA ARG A 30 1.111 -8.728 -2.332 1.00 0.00 C ATOM 371 C ARG A 30 0.906 -9.677 -1.150 1.00 0.00 C ATOM 372 O ARG A 30 1.590 -9.594 -0.149 1.00 0.00 O ATOM 373 CB ARG A 30 2.570 -8.795 -2.790 1.00 0.00 C ATOM 374 CG ARG A 30 2.801 -10.087 -3.576 1.00 0.00 C ATOM 375 CD ARG A 30 4.218 -10.086 -4.148 1.00 0.00 C ATOM 376 NE ARG A 30 5.193 -10.377 -3.059 1.00 0.00 N ATOM 377 CZ ARG A 30 6.426 -10.687 -3.353 1.00 0.00 C ATOM 378 NH1 ARG A 30 6.684 -11.781 -4.016 1.00 0.00 N ATOM 379 NH2 ARG A 30 7.401 -9.902 -2.985 1.00 0.00 N ATOM 0 H ARG A 30 1.172 -7.052 -1.012 1.00 0.00 H new ATOM 0 HA ARG A 30 0.456 -9.023 -3.152 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.807 -7.932 -3.412 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.235 -8.758 -1.927 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.660 -10.951 -2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.072 -10.171 -4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.304 -10.833 -4.937 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.439 -9.119 -4.600 1.00 0.00 H new ATOM 0 HE ARG A 30 4.897 -10.334 -2.084 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.922 -12.394 -4.305 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.648 -12.023 -4.246 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.199 -9.046 -2.468 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.365 -10.144 -3.215 1.00 0.00 H new ATOM 393 N VAL A 31 -0.030 -10.580 -1.257 1.00 0.00 N ATOM 394 CA VAL A 31 -0.277 -11.533 -0.139 1.00 0.00 C ATOM 395 C VAL A 31 0.531 -12.811 -0.370 1.00 0.00 C ATOM 396 O VAL A 31 0.619 -13.310 -1.474 1.00 0.00 O ATOM 397 CB VAL A 31 -1.767 -11.876 -0.081 1.00 0.00 C ATOM 398 CG1 VAL A 31 -1.989 -13.027 0.901 1.00 0.00 C ATOM 399 CG2 VAL A 31 -2.554 -10.649 0.386 1.00 0.00 C ATOM 0 H VAL A 31 -0.634 -10.699 -2.070 1.00 0.00 H new ATOM 0 HA VAL A 31 0.028 -11.075 0.802 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.110 -12.174 -1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.051 -13.271 0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.428 -13.901 0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.646 -12.731 1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.616 -10.892 0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.211 -10.352 1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.397 -9.828 -0.314 1.00 0.00 H new ATOM 409 N VAL A 32 1.123 -13.344 0.664 1.00 0.00 N ATOM 410 CA VAL A 32 1.926 -14.588 0.503 1.00 0.00 C ATOM 411 C VAL A 32 1.151 -15.774 1.082 1.00 0.00 C ATOM 412 O VAL A 32 1.718 -16.666 1.680 1.00 0.00 O ATOM 413 CB VAL A 32 3.255 -14.438 1.244 1.00 0.00 C ATOM 414 CG1 VAL A 32 4.188 -15.587 0.862 1.00 0.00 C ATOM 415 CG2 VAL A 32 3.904 -13.106 0.858 1.00 0.00 C ATOM 0 H VAL A 32 1.085 -12.971 1.613 1.00 0.00 H new ATOM 0 HA VAL A 32 2.118 -14.761 -0.556 1.00 0.00 H new ATOM 0 HB VAL A 32 3.075 -14.460 2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.135 -15.478 1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.727 -16.536 1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.369 -15.567 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.852 -12.997 1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.082 -13.086 -0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.240 -12.285 1.131 1.00 0.00 H new ATOM 425 N LYS A 33 -0.143 -15.791 0.907 1.00 0.00 N ATOM 426 CA LYS A 33 -0.952 -16.919 1.449 1.00 0.00 C ATOM 427 C LYS A 33 -0.727 -17.030 2.958 1.00 0.00 C ATOM 428 O LYS A 33 -0.212 -18.014 3.448 1.00 0.00 O ATOM 429 CB LYS A 33 -0.525 -18.224 0.772 1.00 0.00 C ATOM 430 CG LYS A 33 -0.552 -18.044 -0.747 1.00 0.00 C ATOM 431 CD LYS A 33 0.811 -18.423 -1.330 1.00 0.00 C ATOM 432 CE LYS A 33 1.021 -17.686 -2.654 1.00 0.00 C ATOM 433 NZ LYS A 33 1.582 -18.629 -3.663 1.00 0.00 N ATOM 0 H LYS A 33 -0.674 -15.074 0.413 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.008 -16.736 1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.477 -18.504 1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.194 -19.034 1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.332 -18.667 -1.184 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.792 -17.011 -0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.604 -18.165 -0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.864 -19.500 -1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.075 -17.277 -3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.699 -16.844 -2.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.725 -18.129 -4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.493 -18.999 -3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.920 -19.418 -3.807 1.00 0.00 H new ATOM 447 N GLY A 34 -1.109 -16.025 3.698 1.00 0.00 N ATOM 448 CA GLY A 34 -0.917 -16.071 5.175 1.00 0.00 C ATOM 449 C GLY A 34 -0.442 -14.704 5.671 1.00 0.00 C ATOM 450 O GLY A 34 -0.646 -14.344 6.814 1.00 0.00 O ATOM 0 H GLY A 34 -1.546 -15.174 3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.852 -16.343 5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.186 -16.837 5.434 1.00 0.00 H new ATOM 454 N LYS A 35 0.189 -13.941 4.822 1.00 0.00 N ATOM 455 CA LYS A 35 0.676 -12.598 5.245 1.00 0.00 C ATOM 456 C LYS A 35 0.128 -11.534 4.291 1.00 0.00 C ATOM 457 O LYS A 35 -0.419 -11.843 3.251 1.00 0.00 O ATOM 458 CB LYS A 35 2.206 -12.575 5.211 1.00 0.00 C ATOM 459 CG LYS A 35 2.752 -13.663 6.139 1.00 0.00 C ATOM 460 CD LYS A 35 4.281 -13.665 6.078 1.00 0.00 C ATOM 461 CE LYS A 35 4.831 -12.618 7.047 1.00 0.00 C ATOM 462 NZ LYS A 35 6.308 -12.510 6.876 1.00 0.00 N ATOM 0 H LYS A 35 0.389 -14.190 3.853 1.00 0.00 H new ATOM 0 HA LYS A 35 0.333 -12.390 6.258 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.561 -12.738 4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.573 -11.597 5.523 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.418 -13.485 7.161 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.364 -14.637 5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.665 -14.652 6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.615 -13.448 5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.361 -11.652 6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.592 -12.896 8.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.683 -11.798 7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.749 -13.431 7.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.525 -12.226 5.899 1.00 0.00 H new ATOM 476 N VAL A 36 0.270 -10.284 4.636 1.00 0.00 N ATOM 477 CA VAL A 36 -0.246 -9.204 3.748 1.00 0.00 C ATOM 478 C VAL A 36 0.827 -8.127 3.574 1.00 0.00 C ATOM 479 O VAL A 36 1.089 -7.347 4.468 1.00 0.00 O ATOM 480 CB VAL A 36 -1.496 -8.582 4.373 1.00 0.00 C ATOM 481 CG1 VAL A 36 -1.892 -7.331 3.587 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.642 -9.594 4.330 1.00 0.00 C ATOM 0 H VAL A 36 0.720 -9.964 5.493 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.498 -9.626 2.775 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.288 -8.309 5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.783 -6.888 4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.075 -6.610 3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.101 -7.602 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.534 -9.153 4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.849 -9.865 3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.361 -10.486 4.890 1.00 0.00 H new ATOM 492 N GLU A 37 1.448 -8.077 2.427 1.00 0.00 N ATOM 493 CA GLU A 37 2.502 -7.049 2.193 1.00 0.00 C ATOM 494 C GLU A 37 1.883 -5.843 1.482 1.00 0.00 C ATOM 495 O GLU A 37 0.720 -5.848 1.132 1.00 0.00 O ATOM 496 CB GLU A 37 3.610 -7.643 1.322 1.00 0.00 C ATOM 497 CG GLU A 37 4.704 -8.229 2.215 1.00 0.00 C ATOM 498 CD GLU A 37 4.500 -9.740 2.348 1.00 0.00 C ATOM 499 OE1 GLU A 37 3.444 -10.211 1.962 1.00 0.00 O ATOM 500 OE2 GLU A 37 5.405 -10.399 2.834 1.00 0.00 O ATOM 0 H GLU A 37 1.271 -8.704 1.642 1.00 0.00 H new ATOM 0 HA GLU A 37 2.923 -6.733 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.201 -8.418 0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.029 -6.874 0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.686 -8.020 1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.676 -7.760 3.198 1.00 0.00 H new ATOM 507 N TYR A 38 2.650 -4.809 1.265 1.00 0.00 N ATOM 508 CA TYR A 38 2.098 -3.608 0.577 1.00 0.00 C ATOM 509 C TYR A 38 3.237 -2.818 -0.072 1.00 0.00 C ATOM 510 O TYR A 38 4.076 -2.253 0.601 1.00 0.00 O ATOM 511 CB TYR A 38 1.381 -2.722 1.596 1.00 0.00 C ATOM 512 CG TYR A 38 -0.099 -3.018 1.569 1.00 0.00 C ATOM 513 CD1 TYR A 38 -0.628 -4.026 2.386 1.00 0.00 C ATOM 514 CD2 TYR A 38 -0.945 -2.285 0.726 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.002 -4.301 2.361 1.00 0.00 C ATOM 516 CE2 TYR A 38 -2.319 -2.560 0.700 1.00 0.00 C ATOM 517 CZ TYR A 38 -2.847 -3.568 1.517 1.00 0.00 C ATOM 518 OH TYR A 38 -4.200 -3.840 1.493 1.00 0.00 O ATOM 0 H TYR A 38 3.632 -4.744 1.534 1.00 0.00 H new ATOM 0 HA TYR A 38 1.393 -3.924 -0.192 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.780 -2.902 2.594 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.557 -1.671 1.367 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.024 -4.592 3.036 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.538 -1.508 0.096 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.409 -5.077 2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.971 -1.995 0.050 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.643 -3.242 0.856 1.00 0.00 H new ATOM 528 N LEU A 39 3.273 -2.774 -1.377 1.00 0.00 N ATOM 529 CA LEU A 39 4.356 -2.017 -2.067 1.00 0.00 C ATOM 530 C LEU A 39 3.988 -0.533 -2.108 1.00 0.00 C ATOM 531 O LEU A 39 3.346 -0.067 -3.030 1.00 0.00 O ATOM 532 CB LEU A 39 4.519 -2.542 -3.495 1.00 0.00 C ATOM 533 CG LEU A 39 5.903 -2.161 -4.027 1.00 0.00 C ATOM 534 CD1 LEU A 39 6.969 -3.004 -3.326 1.00 0.00 C ATOM 535 CD2 LEU A 39 5.957 -2.423 -5.533 1.00 0.00 C ATOM 0 H LEU A 39 2.600 -3.229 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 39 5.293 -2.147 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.398 -3.625 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.744 -2.125 -4.137 1.00 0.00 H new ATOM 0 HG LEU A 39 6.090 -1.105 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.954 -2.733 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.930 -2.821 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.784 -4.060 -3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.942 -2.152 -5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.771 -3.480 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.197 -1.824 -6.034 1.00 0.00 H new ATOM 547 N LEU A 40 4.387 0.214 -1.116 1.00 0.00 N ATOM 548 CA LEU A 40 4.060 1.668 -1.099 1.00 0.00 C ATOM 549 C LEU A 40 5.242 2.460 -1.659 1.00 0.00 C ATOM 550 O LEU A 40 6.338 1.953 -1.769 1.00 0.00 O ATOM 551 CB LEU A 40 3.786 2.112 0.340 1.00 0.00 C ATOM 552 CG LEU A 40 5.032 1.873 1.194 1.00 0.00 C ATOM 553 CD1 LEU A 40 5.407 3.165 1.923 1.00 0.00 C ATOM 554 CD2 LEU A 40 4.743 0.775 2.219 1.00 0.00 C ATOM 0 H LEU A 40 4.925 -0.119 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 40 3.176 1.850 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.515 3.168 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.941 1.558 0.748 1.00 0.00 H new ATOM 0 HG LEU A 40 5.858 1.565 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.295 2.995 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.612 3.948 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.581 3.474 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.630 0.604 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.917 1.084 2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.476 -0.146 1.700 1.00 0.00 H new ATOM 566 N LYS A 41 5.030 3.697 -2.016 1.00 0.00 N ATOM 567 CA LYS A 41 6.147 4.513 -2.570 1.00 0.00 C ATOM 568 C LYS A 41 6.832 5.279 -1.434 1.00 0.00 C ATOM 569 O LYS A 41 6.310 6.250 -0.925 1.00 0.00 O ATOM 570 CB LYS A 41 5.595 5.507 -3.593 1.00 0.00 C ATOM 571 CG LYS A 41 6.616 5.703 -4.717 1.00 0.00 C ATOM 572 CD LYS A 41 6.366 7.045 -5.408 1.00 0.00 C ATOM 573 CE LYS A 41 5.490 6.829 -6.643 1.00 0.00 C ATOM 574 NZ LYS A 41 4.955 8.140 -7.107 1.00 0.00 N ATOM 0 H LYS A 41 4.133 4.177 -1.948 1.00 0.00 H new ATOM 0 HA LYS A 41 6.870 3.857 -3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.654 5.139 -4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.382 6.461 -3.111 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.628 5.674 -4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.538 4.890 -5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.878 7.735 -4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.314 7.499 -5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.071 6.360 -7.437 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.669 6.152 -6.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.359 7.994 -7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.387 8.571 -6.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.745 8.772 -7.349 1.00 0.00 H new ATOM 588 N TRP A 42 7.997 4.848 -1.034 1.00 0.00 N ATOM 589 CA TRP A 42 8.714 5.552 0.068 1.00 0.00 C ATOM 590 C TRP A 42 9.208 6.910 -0.432 1.00 0.00 C ATOM 591 O TRP A 42 9.769 7.021 -1.504 1.00 0.00 O ATOM 592 CB TRP A 42 9.909 4.709 0.518 1.00 0.00 C ATOM 593 CG TRP A 42 9.448 3.667 1.486 1.00 0.00 C ATOM 594 CD1 TRP A 42 9.406 2.338 1.236 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.964 3.843 2.849 1.00 0.00 C ATOM 596 NE1 TRP A 42 8.929 1.686 2.360 1.00 0.00 N ATOM 597 CE2 TRP A 42 8.643 2.571 3.381 1.00 0.00 C ATOM 598 CE3 TRP A 42 8.777 4.973 3.670 1.00 0.00 C ATOM 599 CZ2 TRP A 42 8.151 2.424 4.679 1.00 0.00 C ATOM 600 CZ3 TRP A 42 8.282 4.829 4.978 1.00 0.00 C ATOM 601 CH2 TRP A 42 7.971 3.556 5.480 1.00 0.00 C ATOM 0 H TRP A 42 8.483 4.040 -1.422 1.00 0.00 H new ATOM 0 HA TRP A 42 8.035 5.699 0.908 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.380 4.237 -0.344 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.662 5.345 0.983 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.697 1.863 0.311 1.00 0.00 H new ATOM 0 HE1 TRP A 42 8.804 0.676 2.426 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.016 5.956 3.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.911 1.443 5.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.141 5.701 5.599 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.592 3.450 6.486 1.00 0.00 H new ATOM 612 N LYS A 43 9.007 7.945 0.336 1.00 0.00 N ATOM 613 CA LYS A 43 9.467 9.294 -0.095 1.00 0.00 C ATOM 614 C LYS A 43 10.816 9.604 0.557 1.00 0.00 C ATOM 615 O LYS A 43 11.088 9.192 1.667 1.00 0.00 O ATOM 616 CB LYS A 43 8.441 10.344 0.332 1.00 0.00 C ATOM 617 CG LYS A 43 8.412 10.438 1.859 1.00 0.00 C ATOM 618 CD LYS A 43 9.376 11.530 2.323 1.00 0.00 C ATOM 619 CE LYS A 43 8.591 12.802 2.644 1.00 0.00 C ATOM 620 NZ LYS A 43 9.489 13.785 3.315 1.00 0.00 N ATOM 0 H LYS A 43 8.544 7.914 1.244 1.00 0.00 H new ATOM 0 HA LYS A 43 9.574 9.312 -1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.696 11.313 -0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.454 10.078 -0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.401 10.662 2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.692 9.481 2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.923 11.196 3.204 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.114 11.732 1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.184 13.231 1.729 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.745 12.567 3.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.955 14.650 3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.857 13.374 4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.282 14.018 2.684 1.00 0.00 H new ATOM 634 N GLY A 44 11.663 10.329 -0.123 1.00 0.00 N ATOM 635 CA GLY A 44 12.993 10.664 0.460 1.00 0.00 C ATOM 636 C GLY A 44 13.953 9.491 0.258 1.00 0.00 C ATOM 637 O GLY A 44 15.052 9.480 0.776 1.00 0.00 O ATOM 0 H GLY A 44 11.491 10.703 -1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.393 11.560 -0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.890 10.884 1.523 1.00 0.00 H new ATOM 641 N PHE A 45 13.548 8.502 -0.490 1.00 0.00 N ATOM 642 CA PHE A 45 14.439 7.331 -0.724 1.00 0.00 C ATOM 643 C PHE A 45 14.402 6.949 -2.205 1.00 0.00 C ATOM 644 O PHE A 45 13.601 6.138 -2.627 1.00 0.00 O ATOM 645 CB PHE A 45 13.958 6.148 0.120 1.00 0.00 C ATOM 646 CG PHE A 45 14.840 6.007 1.338 1.00 0.00 C ATOM 647 CD1 PHE A 45 14.890 7.035 2.289 1.00 0.00 C ATOM 648 CD2 PHE A 45 15.606 4.847 1.517 1.00 0.00 C ATOM 649 CE1 PHE A 45 15.709 6.903 3.420 1.00 0.00 C ATOM 650 CE2 PHE A 45 16.424 4.716 2.647 1.00 0.00 C ATOM 651 CZ PHE A 45 16.475 5.743 3.599 1.00 0.00 C ATOM 0 H PHE A 45 12.639 8.454 -0.949 1.00 0.00 H new ATOM 0 HA PHE A 45 15.460 7.589 -0.441 1.00 0.00 H new ATOM 0 HB2 PHE A 45 12.922 6.301 0.423 1.00 0.00 H new ATOM 0 HB3 PHE A 45 13.985 5.232 -0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 45 14.298 7.928 2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 45 15.566 4.055 0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.749 7.695 4.153 1.00 0.00 H new ATOM 0 HE2 PHE A 45 17.016 3.823 2.784 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.105 5.641 4.471 1.00 0.00 H new ATOM 661 N SER A 46 15.262 7.527 -2.999 1.00 0.00 N ATOM 662 CA SER A 46 15.274 7.196 -4.453 1.00 0.00 C ATOM 663 C SER A 46 14.101 7.893 -5.148 1.00 0.00 C ATOM 664 O SER A 46 13.921 7.779 -6.345 1.00 0.00 O ATOM 665 CB SER A 46 15.147 5.684 -4.633 1.00 0.00 C ATOM 666 OG SER A 46 13.787 5.354 -4.890 1.00 0.00 O ATOM 0 H SER A 46 15.956 8.214 -2.704 1.00 0.00 H new ATOM 0 HA SER A 46 16.211 7.537 -4.894 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.776 5.350 -5.458 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.495 5.169 -3.738 1.00 0.00 H new ATOM 0 HG SER A 46 13.746 4.553 -5.453 1.00 0.00 H new ATOM 672 N ASP A 47 13.303 8.615 -4.409 1.00 0.00 N ATOM 673 CA ASP A 47 12.144 9.316 -5.031 1.00 0.00 C ATOM 674 C ASP A 47 11.125 8.285 -5.522 1.00 0.00 C ATOM 675 O ASP A 47 10.165 8.617 -6.189 1.00 0.00 O ATOM 676 CB ASP A 47 12.632 10.156 -6.214 1.00 0.00 C ATOM 677 CG ASP A 47 13.833 10.999 -5.783 1.00 0.00 C ATOM 678 OD1 ASP A 47 13.685 11.769 -4.848 1.00 0.00 O ATOM 679 OD2 ASP A 47 14.879 10.862 -6.395 1.00 0.00 O ATOM 0 H ASP A 47 13.403 8.750 -3.403 1.00 0.00 H new ATOM 0 HA ASP A 47 11.674 9.966 -4.293 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.910 9.507 -7.044 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.830 10.803 -6.570 1.00 0.00 H new ATOM 684 N GLU A 48 11.321 7.037 -5.194 1.00 0.00 N ATOM 685 CA GLU A 48 10.359 5.991 -5.642 1.00 0.00 C ATOM 686 C GLU A 48 10.885 4.608 -5.252 1.00 0.00 C ATOM 687 O GLU A 48 10.739 3.649 -5.983 1.00 0.00 O ATOM 688 CB GLU A 48 10.194 6.060 -7.161 1.00 0.00 C ATOM 689 CG GLU A 48 11.568 6.191 -7.819 1.00 0.00 C ATOM 690 CD GLU A 48 11.535 7.316 -8.856 1.00 0.00 C ATOM 691 OE1 GLU A 48 11.258 8.441 -8.471 1.00 0.00 O ATOM 692 OE2 GLU A 48 11.785 7.035 -10.016 1.00 0.00 O ATOM 0 H GLU A 48 12.104 6.697 -4.636 1.00 0.00 H new ATOM 0 HA GLU A 48 9.395 6.162 -5.163 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.690 5.164 -7.523 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.567 6.910 -7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.326 6.401 -7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.845 5.251 -8.296 1.00 0.00 H new ATOM 699 N ASP A 49 11.491 4.496 -4.102 1.00 0.00 N ATOM 700 CA ASP A 49 12.017 3.172 -3.667 1.00 0.00 C ATOM 701 C ASP A 49 10.931 2.447 -2.872 1.00 0.00 C ATOM 702 O ASP A 49 11.048 2.246 -1.679 1.00 0.00 O ATOM 703 CB ASP A 49 13.251 3.373 -2.785 1.00 0.00 C ATOM 704 CG ASP A 49 13.866 2.013 -2.451 1.00 0.00 C ATOM 705 OD1 ASP A 49 13.281 1.012 -2.828 1.00 0.00 O ATOM 706 OD2 ASP A 49 14.914 1.996 -1.826 1.00 0.00 O ATOM 0 H ASP A 49 11.644 5.262 -3.446 1.00 0.00 H new ATOM 0 HA ASP A 49 12.296 2.580 -4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.981 3.998 -3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.975 3.894 -1.868 1.00 0.00 H new ATOM 711 N ASN A 50 9.870 2.063 -3.525 1.00 0.00 N ATOM 712 CA ASN A 50 8.765 1.364 -2.814 1.00 0.00 C ATOM 713 C ASN A 50 9.274 0.052 -2.216 1.00 0.00 C ATOM 714 O ASN A 50 10.304 -0.464 -2.603 1.00 0.00 O ATOM 715 CB ASN A 50 7.634 1.068 -3.801 1.00 0.00 C ATOM 716 CG ASN A 50 8.162 0.190 -4.936 1.00 0.00 C ATOM 717 OD1 ASN A 50 8.399 -0.987 -4.750 1.00 0.00 O ATOM 718 ND2 ASN A 50 8.359 0.715 -6.115 1.00 0.00 N ATOM 0 H ASN A 50 9.721 2.204 -4.524 1.00 0.00 H new ATOM 0 HA ASN A 50 8.396 2.002 -2.011 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.814 0.565 -3.290 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.235 1.999 -4.203 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.711 0.137 -6.878 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.161 1.703 -6.273 1.00 0.00 H new ATOM 725 N THR A 51 8.553 -0.491 -1.273 1.00 0.00 N ATOM 726 CA THR A 51 8.981 -1.771 -0.644 1.00 0.00 C ATOM 727 C THR A 51 7.743 -2.536 -0.172 1.00 0.00 C ATOM 728 O THR A 51 6.687 -1.966 0.025 1.00 0.00 O ATOM 729 CB THR A 51 9.888 -1.474 0.554 1.00 0.00 C ATOM 730 OG1 THR A 51 10.630 -0.290 0.301 1.00 0.00 O ATOM 731 CG2 THR A 51 10.846 -2.645 0.772 1.00 0.00 C ATOM 0 H THR A 51 7.683 -0.101 -0.911 1.00 0.00 H new ATOM 0 HA THR A 51 9.529 -2.372 -1.370 1.00 0.00 H new ATOM 0 HB THR A 51 9.279 -1.336 1.448 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.355 0.409 0.931 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.491 -2.433 1.625 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.274 -3.552 0.966 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.457 -2.786 -0.119 1.00 0.00 H new ATOM 739 N TRP A 52 7.862 -3.823 0.011 1.00 0.00 N ATOM 740 CA TRP A 52 6.691 -4.622 0.467 1.00 0.00 C ATOM 741 C TRP A 52 6.715 -4.741 1.992 1.00 0.00 C ATOM 742 O TRP A 52 7.396 -5.579 2.548 1.00 0.00 O ATOM 743 CB TRP A 52 6.752 -6.019 -0.155 1.00 0.00 C ATOM 744 CG TRP A 52 6.688 -5.903 -1.644 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.760 -5.881 -2.472 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.513 -5.792 -2.499 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.316 -5.764 -3.773 1.00 0.00 N ATOM 748 CE2 TRP A 52 5.947 -5.707 -3.843 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.128 -5.757 -2.247 1.00 0.00 C ATOM 750 CZ2 TRP A 52 5.050 -5.591 -4.895 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.215 -5.641 -3.309 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.676 -5.557 -4.633 1.00 0.00 C ATOM 0 H TRP A 52 8.720 -4.355 -0.136 1.00 0.00 H new ATOM 0 HA TRP A 52 5.771 -4.126 0.157 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.672 -6.522 0.142 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.924 -6.628 0.209 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.793 -5.945 -2.164 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.932 -5.725 -4.585 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.765 -5.820 -1.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.410 -5.527 -5.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.154 -5.616 -3.106 1.00 0.00 H new ATOM 0 HH2 TRP A 52 2.972 -5.466 -5.447 1.00 0.00 H new ATOM 763 N GLU A 53 5.974 -3.910 2.672 1.00 0.00 N ATOM 764 CA GLU A 53 5.952 -3.978 4.162 1.00 0.00 C ATOM 765 C GLU A 53 4.626 -4.589 4.624 1.00 0.00 C ATOM 766 O GLU A 53 3.676 -4.650 3.867 1.00 0.00 O ATOM 767 CB GLU A 53 6.094 -2.568 4.739 1.00 0.00 C ATOM 768 CG GLU A 53 7.487 -2.403 5.349 1.00 0.00 C ATOM 769 CD GLU A 53 8.509 -2.172 4.235 1.00 0.00 C ATOM 770 OE1 GLU A 53 9.012 -3.150 3.708 1.00 0.00 O ATOM 771 OE2 GLU A 53 8.772 -1.021 3.929 1.00 0.00 O ATOM 0 H GLU A 53 5.383 -3.187 2.261 1.00 0.00 H new ATOM 0 HA GLU A 53 6.778 -4.597 4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.938 -1.826 3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.331 -2.396 5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.494 -1.563 6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.752 -3.292 5.922 1.00 0.00 H new ATOM 778 N PRO A 54 4.603 -5.025 5.857 1.00 0.00 N ATOM 779 CA PRO A 54 3.409 -5.642 6.459 1.00 0.00 C ATOM 780 C PRO A 54 2.398 -4.565 6.866 1.00 0.00 C ATOM 781 O PRO A 54 2.725 -3.625 7.563 1.00 0.00 O ATOM 782 CB PRO A 54 3.960 -6.366 7.690 1.00 0.00 C ATOM 783 CG PRO A 54 5.298 -5.670 8.042 1.00 0.00 C ATOM 784 CD PRO A 54 5.765 -4.945 6.765 1.00 0.00 C ATOM 0 HA PRO A 54 2.883 -6.311 5.778 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.259 -6.305 8.523 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.116 -7.424 7.481 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.164 -4.964 8.862 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.040 -6.399 8.367 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.038 -3.910 6.972 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.642 -5.426 6.332 1.00 0.00 H new ATOM 792 N GLU A 55 1.173 -4.694 6.436 1.00 0.00 N ATOM 793 CA GLU A 55 0.145 -3.678 6.798 1.00 0.00 C ATOM 794 C GLU A 55 -0.225 -3.829 8.275 1.00 0.00 C ATOM 795 O GLU A 55 -0.886 -2.987 8.848 1.00 0.00 O ATOM 796 CB GLU A 55 -1.103 -3.886 5.936 1.00 0.00 C ATOM 797 CG GLU A 55 -1.810 -5.173 6.366 1.00 0.00 C ATOM 798 CD GLU A 55 -3.165 -4.829 6.987 1.00 0.00 C ATOM 799 OE1 GLU A 55 -4.134 -4.759 6.248 1.00 0.00 O ATOM 800 OE2 GLU A 55 -3.212 -4.639 8.191 1.00 0.00 O ATOM 0 H GLU A 55 0.840 -5.459 5.850 1.00 0.00 H new ATOM 0 HA GLU A 55 0.545 -2.679 6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.777 -3.036 6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.826 -3.945 4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.948 -5.829 5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.196 -5.715 7.085 1.00 0.00 H new ATOM 807 N GLU A 56 0.195 -4.898 8.894 1.00 0.00 N ATOM 808 CA GLU A 56 -0.133 -5.100 10.334 1.00 0.00 C ATOM 809 C GLU A 56 0.925 -4.417 11.201 1.00 0.00 C ATOM 810 O GLU A 56 1.044 -4.685 12.380 1.00 0.00 O ATOM 811 CB GLU A 56 -0.156 -6.599 10.645 1.00 0.00 C ATOM 812 CG GLU A 56 1.190 -7.220 10.271 1.00 0.00 C ATOM 813 CD GLU A 56 0.957 -8.518 9.497 1.00 0.00 C ATOM 814 OE1 GLU A 56 0.238 -9.365 10.002 1.00 0.00 O ATOM 815 OE2 GLU A 56 1.502 -8.645 8.413 1.00 0.00 O ATOM 0 H GLU A 56 0.750 -5.639 8.466 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.111 -4.668 10.547 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.360 -6.758 11.704 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.959 -7.084 10.089 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.768 -6.522 9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.772 -7.420 11.170 1.00 0.00 H new ATOM 822 N ASN A 57 1.695 -3.532 10.627 1.00 0.00 N ATOM 823 CA ASN A 57 2.744 -2.833 11.421 1.00 0.00 C ATOM 824 C ASN A 57 2.938 -1.417 10.871 1.00 0.00 C ATOM 825 O ASN A 57 3.086 -0.467 11.613 1.00 0.00 O ATOM 826 CB ASN A 57 4.061 -3.604 11.319 1.00 0.00 C ATOM 827 CG ASN A 57 3.944 -4.919 12.092 1.00 0.00 C ATOM 828 OD1 ASN A 57 3.631 -5.946 11.522 1.00 0.00 O ATOM 829 ND2 ASN A 57 4.186 -4.932 13.374 1.00 0.00 N ATOM 0 H ASN A 57 1.643 -3.264 9.644 1.00 0.00 H new ATOM 0 HA ASN A 57 2.435 -2.780 12.465 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.298 -3.804 10.274 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.878 -3.005 11.722 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.113 -5.804 13.898 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.449 -4.070 13.852 1.00 0.00 H new ATOM 836 N LEU A 58 2.938 -1.270 9.574 1.00 0.00 N ATOM 837 CA LEU A 58 3.122 0.083 8.978 1.00 0.00 C ATOM 838 C LEU A 58 2.127 1.058 9.610 1.00 0.00 C ATOM 839 O LEU A 58 1.371 0.703 10.491 1.00 0.00 O ATOM 840 CB LEU A 58 2.879 0.012 7.469 1.00 0.00 C ATOM 841 CG LEU A 58 4.220 0.032 6.734 1.00 0.00 C ATOM 842 CD1 LEU A 58 4.014 -0.403 5.282 1.00 0.00 C ATOM 843 CD2 LEU A 58 4.794 1.451 6.762 1.00 0.00 C ATOM 0 H LEU A 58 2.819 -2.028 8.902 1.00 0.00 H new ATOM 0 HA LEU A 58 4.138 0.429 9.167 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.330 -0.896 7.221 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.264 0.853 7.149 1.00 0.00 H new ATOM 0 HG LEU A 58 4.912 -0.653 7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.970 -0.389 4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.603 -1.412 5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.322 0.282 4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.750 1.467 6.239 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.100 2.134 6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.941 1.764 7.796 1.00 0.00 H new ATOM 855 N ASP A 59 2.121 2.285 9.165 1.00 0.00 N ATOM 856 CA ASP A 59 1.174 3.280 9.742 1.00 0.00 C ATOM 857 C ASP A 59 0.493 4.052 8.610 1.00 0.00 C ATOM 858 O ASP A 59 0.793 5.203 8.362 1.00 0.00 O ATOM 859 CB ASP A 59 1.941 4.256 10.636 1.00 0.00 C ATOM 860 CG ASP A 59 1.005 4.803 11.715 1.00 0.00 C ATOM 861 OD1 ASP A 59 -0.154 5.027 11.408 1.00 0.00 O ATOM 862 OD2 ASP A 59 1.463 4.989 12.831 1.00 0.00 O ATOM 0 H ASP A 59 2.730 2.641 8.428 1.00 0.00 H new ATOM 0 HA ASP A 59 0.419 2.762 10.334 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.790 3.752 11.098 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.342 5.075 10.038 1.00 0.00 H new ATOM 867 N CYS A 60 -0.424 3.428 7.921 1.00 0.00 N ATOM 868 CA CYS A 60 -1.124 4.128 6.807 1.00 0.00 C ATOM 869 C CYS A 60 -2.430 3.395 6.485 1.00 0.00 C ATOM 870 O CYS A 60 -2.543 2.755 5.459 1.00 0.00 O ATOM 871 CB CYS A 60 -0.226 4.139 5.569 1.00 0.00 C ATOM 872 SG CYS A 60 0.394 2.466 5.258 1.00 0.00 S ATOM 0 H CYS A 60 -0.718 2.465 8.082 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.347 5.153 7.103 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.785 4.498 4.705 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.608 4.826 5.717 1.00 0.00 H new ATOM 0 HG CYS A 60 -0.592 1.697 4.904 1.00 0.00 H new ATOM 878 N PRO A 61 -3.380 3.514 7.379 1.00 0.00 N ATOM 879 CA PRO A 61 -4.697 2.875 7.227 1.00 0.00 C ATOM 880 C PRO A 61 -5.569 3.674 6.255 1.00 0.00 C ATOM 881 O PRO A 61 -6.668 3.279 5.922 1.00 0.00 O ATOM 882 CB PRO A 61 -5.281 2.915 8.642 1.00 0.00 C ATOM 883 CG PRO A 61 -4.542 4.056 9.385 1.00 0.00 C ATOM 884 CD PRO A 61 -3.226 4.296 8.622 1.00 0.00 C ATOM 0 HA PRO A 61 -4.639 1.864 6.823 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.355 3.100 8.614 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.135 1.962 9.150 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.149 4.961 9.406 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.345 3.780 10.421 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.076 5.355 8.410 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.364 3.961 9.199 1.00 0.00 H new ATOM 892 N ASP A 62 -5.085 4.796 5.795 1.00 0.00 N ATOM 893 CA ASP A 62 -5.884 5.616 4.845 1.00 0.00 C ATOM 894 C ASP A 62 -5.609 5.141 3.419 1.00 0.00 C ATOM 895 O ASP A 62 -6.507 5.029 2.607 1.00 0.00 O ATOM 896 CB ASP A 62 -5.486 7.088 4.977 1.00 0.00 C ATOM 897 CG ASP A 62 -5.280 7.430 6.454 1.00 0.00 C ATOM 898 OD1 ASP A 62 -5.948 6.829 7.279 1.00 0.00 O ATOM 899 OD2 ASP A 62 -4.460 8.288 6.734 1.00 0.00 O ATOM 0 H ASP A 62 -4.171 5.179 6.037 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.945 5.508 5.071 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.571 7.280 4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.260 7.725 4.550 1.00 0.00 H new ATOM 904 N LEU A 63 -4.375 4.855 3.109 1.00 0.00 N ATOM 905 CA LEU A 63 -4.046 4.384 1.739 1.00 0.00 C ATOM 906 C LEU A 63 -4.392 2.902 1.624 1.00 0.00 C ATOM 907 O LEU A 63 -4.657 2.396 0.552 1.00 0.00 O ATOM 908 CB LEU A 63 -2.554 4.580 1.472 1.00 0.00 C ATOM 909 CG LEU A 63 -2.152 6.007 1.843 1.00 0.00 C ATOM 910 CD1 LEU A 63 -0.667 6.040 2.210 1.00 0.00 C ATOM 911 CD2 LEU A 63 -2.404 6.933 0.652 1.00 0.00 C ATOM 0 H LEU A 63 -3.582 4.928 3.746 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.620 4.955 1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.973 3.864 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.334 4.390 0.421 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.744 6.341 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.380 7.058 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.487 5.380 3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.074 5.706 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.118 7.951 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.812 6.599 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.462 6.910 0.391 1.00 0.00 H new ATOM 923 N ILE A 64 -4.395 2.202 2.724 1.00 0.00 N ATOM 924 CA ILE A 64 -4.729 0.754 2.681 1.00 0.00 C ATOM 925 C ILE A 64 -6.231 0.596 2.443 1.00 0.00 C ATOM 926 O ILE A 64 -6.665 -0.233 1.669 1.00 0.00 O ATOM 927 CB ILE A 64 -4.348 0.102 4.011 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.823 0.018 4.117 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.942 -1.306 4.082 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.422 -0.160 5.583 1.00 0.00 C ATOM 0 H ILE A 64 -4.180 2.571 3.650 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.177 0.272 1.874 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.739 0.701 4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.452 -0.818 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.369 0.923 3.712 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.669 -1.769 5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.028 -1.247 4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.553 -1.907 3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.336 -0.220 5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.780 0.690 6.164 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.864 -1.077 5.972 1.00 0.00 H new ATOM 942 N ALA A 65 -7.029 1.395 3.100 1.00 0.00 N ATOM 943 CA ALA A 65 -8.502 1.299 2.909 1.00 0.00 C ATOM 944 C ALA A 65 -8.921 2.186 1.736 1.00 0.00 C ATOM 945 O ALA A 65 -10.077 2.232 1.363 1.00 0.00 O ATOM 946 CB ALA A 65 -9.214 1.767 4.181 1.00 0.00 C ATOM 0 H ALA A 65 -6.723 2.109 3.760 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.775 0.265 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.293 1.697 4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.915 1.137 5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.942 2.802 4.391 1.00 0.00 H new ATOM 952 N GLU A 66 -7.992 2.891 1.147 1.00 0.00 N ATOM 953 CA GLU A 66 -8.344 3.771 -0.002 1.00 0.00 C ATOM 954 C GLU A 66 -7.885 3.113 -1.304 1.00 0.00 C ATOM 955 O GLU A 66 -8.403 3.388 -2.368 1.00 0.00 O ATOM 956 CB GLU A 66 -7.648 5.125 0.158 1.00 0.00 C ATOM 957 CG GLU A 66 -8.426 5.981 1.160 1.00 0.00 C ATOM 958 CD GLU A 66 -9.711 6.489 0.505 1.00 0.00 C ATOM 959 OE1 GLU A 66 -9.849 6.320 -0.694 1.00 0.00 O ATOM 960 OE2 GLU A 66 -10.536 7.040 1.216 1.00 0.00 O ATOM 0 H GLU A 66 -7.007 2.895 1.412 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.423 3.920 -0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.624 4.981 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.591 5.633 -0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.664 5.395 2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.815 6.822 1.488 1.00 0.00 H new ATOM 967 N PHE A 67 -6.914 2.245 -1.227 1.00 0.00 N ATOM 968 CA PHE A 67 -6.419 1.567 -2.457 1.00 0.00 C ATOM 969 C PHE A 67 -6.958 0.136 -2.504 1.00 0.00 C ATOM 970 O PHE A 67 -6.974 -0.498 -3.539 1.00 0.00 O ATOM 971 CB PHE A 67 -4.889 1.534 -2.442 1.00 0.00 C ATOM 972 CG PHE A 67 -4.394 0.627 -3.542 1.00 0.00 C ATOM 973 CD1 PHE A 67 -4.414 -0.763 -3.368 1.00 0.00 C ATOM 974 CD2 PHE A 67 -3.916 1.175 -4.740 1.00 0.00 C ATOM 975 CE1 PHE A 67 -3.954 -1.605 -4.389 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.458 0.333 -5.763 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.477 -1.057 -5.587 1.00 0.00 C ATOM 0 H PHE A 67 -6.442 1.976 -0.364 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.763 2.114 -3.335 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.492 2.540 -2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.532 1.179 -1.475 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.784 -1.186 -2.446 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.900 2.246 -4.875 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.967 -2.676 -4.253 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.091 0.756 -6.687 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.124 -1.706 -6.375 1.00 0.00 H new ATOM 987 N LEU A 68 -7.399 -0.381 -1.388 1.00 0.00 N ATOM 988 CA LEU A 68 -7.932 -1.771 -1.374 1.00 0.00 C ATOM 989 C LEU A 68 -9.448 -1.739 -1.599 1.00 0.00 C ATOM 990 O LEU A 68 -10.033 -2.687 -2.085 1.00 0.00 O ATOM 991 CB LEU A 68 -7.601 -2.434 -0.025 1.00 0.00 C ATOM 992 CG LEU A 68 -8.662 -2.083 1.025 1.00 0.00 C ATOM 993 CD1 LEU A 68 -9.873 -3.006 0.859 1.00 0.00 C ATOM 994 CD2 LEU A 68 -8.071 -2.273 2.425 1.00 0.00 C ATOM 0 H LEU A 68 -7.413 0.099 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.471 -2.352 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.548 -3.516 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.620 -2.104 0.317 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.973 -1.047 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.626 -2.756 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.294 -2.878 -0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.562 -4.042 0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.823 -2.024 3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.762 -3.311 2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.207 -1.620 2.547 1.00 0.00 H new ATOM 1006 N GLN A 69 -10.087 -0.657 -1.249 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.562 -0.567 -1.443 1.00 0.00 C ATOM 1008 C GLN A 69 -11.860 0.012 -2.827 1.00 0.00 C ATOM 1009 O GLN A 69 -12.839 -0.335 -3.457 1.00 0.00 O ATOM 1010 CB GLN A 69 -12.162 0.344 -0.370 1.00 0.00 C ATOM 1011 CG GLN A 69 -13.689 0.243 -0.412 1.00 0.00 C ATOM 1012 CD GLN A 69 -14.302 1.550 0.092 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -13.594 2.455 0.487 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -15.599 1.689 0.096 1.00 0.00 N ATOM 0 H GLN A 69 -9.652 0.169 -0.837 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.000 -1.562 -1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.795 0.055 0.615 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.850 1.375 -0.537 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.023 0.042 -1.430 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.026 -0.590 0.205 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -16.194 0.930 -0.235 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -16.018 2.557 0.430 1.00 0.00 H new ATOM 1023 N SER A 70 -11.025 0.895 -3.304 1.00 0.00 N ATOM 1024 CA SER A 70 -11.264 1.495 -4.647 1.00 0.00 C ATOM 1025 C SER A 70 -11.252 0.394 -5.707 1.00 0.00 C ATOM 1026 O SER A 70 -12.023 0.414 -6.646 1.00 0.00 O ATOM 1027 CB SER A 70 -10.162 2.510 -4.954 1.00 0.00 C ATOM 1028 OG SER A 70 -10.375 3.683 -4.179 1.00 0.00 O ATOM 0 H SER A 70 -10.189 1.226 -2.822 1.00 0.00 H new ATOM 0 HA SER A 70 -12.232 1.995 -4.655 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.185 2.083 -4.728 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.164 2.756 -6.016 1.00 0.00 H new ATOM 0 HG SER A 70 -9.889 3.608 -3.331 1.00 0.00 H new ATOM 1034 N GLN A 71 -10.383 -0.569 -5.565 1.00 0.00 N ATOM 1035 CA GLN A 71 -10.322 -1.673 -6.566 1.00 0.00 C ATOM 1036 C GLN A 71 -11.694 -2.343 -6.670 1.00 0.00 C ATOM 1037 O GLN A 71 -12.035 -2.925 -7.680 1.00 0.00 O ATOM 1038 CB GLN A 71 -9.281 -2.704 -6.125 1.00 0.00 C ATOM 1039 CG GLN A 71 -8.197 -2.825 -7.196 1.00 0.00 C ATOM 1040 CD GLN A 71 -8.849 -3.091 -8.554 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -9.468 -4.117 -8.754 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -8.734 -2.203 -9.504 1.00 0.00 N ATOM 0 H GLN A 71 -9.713 -0.640 -4.800 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.042 -1.268 -7.538 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.837 -2.405 -5.175 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.757 -3.671 -5.964 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.607 -1.909 -7.237 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.512 -3.634 -6.945 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.214 -1.341 -9.337 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.164 -2.371 -10.414 1.00 0.00 H new